*HEADER    TRANSCRIPTION                           22-DEC-15   2NAA              
*TITLE     NSD1-PHD_5-C5HCH TANDEM DOMAIN STRUCTURE                              
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: HISTONE-LYSINE N-METHYLTRANSFERASE, H3 LYSINE-36 AND H4    
*COMPND   3 LYSINE-20 SPECIFIC;                                                  
*COMPND   4 CHAIN: A;                                                            
*COMPND   5 FRAGMENT: UNP RESIDUES 2014-2104;                                    
*COMPND   6 SYNONYM: H3-K36-HMTASE, H4-K20-HMTASE, NUCLEAR RECEPTOR-BINDING SET  
*COMPND   7 DOMAIN-CONTAINING PROTEIN 1, NR-BINDING SET DOMAIN-CONTAINING        
*COMPND   8 PROTEIN;                                                             
*COMPND   9 EC: 2.1.1.43;                                                        
*COMPND  10 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: MUS MUSCULUS;                                   
*SOURCE   3 ORGANISM_COMMON: MOUSE;                                              
*SOURCE   4 ORGANISM_TAXID: 10090;                                               
*SOURCE   5 GENE: NSD1;                                                          
*SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   7 EXPRESSION_SYSTEM_TAXID: 562;                                        
*SOURCE   8 EXPRESSION_SYSTEM_VECTOR: PETM11                                     
*KEYWDS    NSD1, PHD5C5HCH, PHD FINGER, TANDEM, TRANSCRIPTION                    
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    15                                                                    
*AUTHOR    A.BERARDI, G.QUILICI, D.SPILIOTOPOULOS, G.MUSCO                       
*REVDAT   1   09-MAR-16 2NAA    0                                                


assign (segid "   D" and resid   50 and name  HE1) (segid "   D" and resid   26 and name  HB2) 3.292 1.354 1.354 weight 1.000 ! spec=13CN...13AB, no=4, id=0, vol=2.646447e+05
assign (segid "   D" and resid   93 and name  HB1) (segid "   D" and resid   93 and name   HA) 2.713 0.920 0.920 weight 1.000 ! spec=13CN...13AB, no=10, id=3, vol=7.616192e+05
assign (segid "   D" and resid   93 and name  HB2) (segid "   D" and resid   93 and name   HA) 3.333 1.389 1.389 weight 1.000 ! spec=13CN...13AB, no=11, id=4, vol=5.355348e+05
assign (segid "   D" and resid   92 and name   HA) (segid "   D" and resid   92 and name  HB1) 2.380 0.708 0.708 weight 1.000 ! spec=13CN...13AB, no=14, id=5, vol=1.777481e+06
assign (segid "   D" and resid   92 and name  HB1) (segid "   D" and resid   92 and name  HB2) 1.838 0.422 0.422 weight 1.000 ! spec=13CN...13AB, no=21, id=8, vol=3.103072e+06
assign (segid "   D" and resid   92 and name  HB1) (segid "   D" and resid   92 and name  HG2) 2.701 0.912 0.912 weight 1.000 ! spec=13CN...13AB, no=22, id=9, vol=1.538844e+06
assign (segid "   D" and resid   92 and name  HB1) (segid "   D" and resid   92 and name  HG1) 2.537 0.805 0.805 weight 1.000 ! spec=13CN...13AB, no=23, id=10, vol=1.529783e+06
assign (segid "   D" and resid    4 and name  HB1) (segid "   D" and resid    4 and name   HA) 2.436 0.742 0.742 weight 1.000 ! spec=13CN...13AB, no=26, id=11, vol=1.525059e+06
assign (segid "   D" and resid   91 and name   HA) (segid "   D" and resid   91 and name   HB) 2.339 0.684 0.684 weight 1.000 ! spec=13CN...13AB, no=30, id=12, vol=2.119182e+06
assign (segid "   D" and resid   91 and name   HB) (segid "   D" and resid   91 and name HG21) 1.903 0.453 0.453 weight 1.000 ! spec=13CN...13AB, no=34, id=16, vol=4.633886e+06
    or (segid "   D" and resid   91 and name   HB) (segid "   D" and resid   91 and name HG22)
    or (segid "   D" and resid   91 and name   HB) (segid "   D" and resid   91 and name HG23)
assign (segid "   D" and resid   91 and name   HA) (segid "   D" and resid   91 and name HG21) 2.198 0.604 0.604 weight 1.000 ! spec=13CN...13AB, no=35, id=17, vol=2.837700e+06
    or (segid "   D" and resid   91 and name   HA) (segid "   D" and resid   91 and name HG22)
    or (segid "   D" and resid   91 and name   HA) (segid "   D" and resid   91 and name HG23)
assign (segid "   D" and resid   90 and name  HB2) (segid "   D" and resid   90 and name  HB1) 2.076 0.539 0.539 weight 1.000 ! spec=13CN...13AB, no=36, id=18, vol=1.248647e+06
assign (segid "   D" and resid   90 and name   HA) (segid "   D" and resid   90 and name  HB1) 2.630 0.864 0.864 weight 1.000 ! spec=13CN...13AB, no=38, id=20, vol=9.191461e+05
assign (segid "   D" and resid   90 and name   HA) (segid "   D" and resid   90 and name  HB2) 2.649 0.877 0.877 weight 1.000 ! spec=13CN...13AB, no=39, id=21, vol=7.414685e+05
assign (segid "   D" and resid   89 and name  HB1) (segid "   D" and resid   89 and name   HA) 2.872 1.031 1.031 weight 1.000 ! spec=13CN...13AB, no=45, id=25, vol=1.181859e+06
assign (segid "   D" and resid   89 and name  HB2) (segid "   D" and resid   89 and name   HA) 2.449 0.750 0.750 weight 1.000 ! spec=13CN...13AB, no=46, id=26, vol=1.097546e+06
assign (segid "   D" and resid   61 and name  HB2) (segid "   D" and resid   61 and name  HB1) 1.602 0.321 0.321 weight 1.000 ! spec=13CN...13AB, no=47, id=27, vol=3.396138e+06
assign (segid "   D" and resid   88 and name  HB2) (segid "   D" and resid   88 and name HD12) 2.008 0.504 0.504 weight 1.000 ! spec=13CN...13AB, no=54, id=33, vol=1.746282e+06
    or (segid "   D" and resid   88 and name  HB2) (segid "   D" and resid   88 and name HD11)
    or (segid "   D" and resid   88 and name  HB2) (segid "   D" and resid   88 and name HD13)
assign (segid "   D" and resid   88 and name  HB2) (segid "   D" and resid   88 and name   HA) 2.870 1.030 1.030 weight 1.000 ! spec=13CN...13AB, no=56, id=34, vol=6.818081e+05
assign (segid "   D" and resid   88 and name  HB1) (segid "   D" and resid   88 and name  HB2) 1.669 0.348 0.348 weight 1.000 ! spec=13CN...13AB, no=57, id=35, vol=2.638080e+06
assign (segid "   D" and resid   57 and name  HG2) (segid "   D" and resid   57 and name   HA) 2.395 0.717 0.717 weight 1.000 ! spec=13CN...13AB, no=61, id=37, vol=1.319332e+06
assign (segid "   D" and resid   88 and name HD12) (segid "   D" and resid   88 and name  HB1) 2.450 0.750 0.750 weight 1.000 ! spec=13CN...13AB, no=66, id=38, vol=1.486137e+06
    or (segid "   D" and resid   88 and name HD11) (segid "   D" and resid   88 and name  HB1)
    or (segid "   D" and resid   88 and name HD13) (segid "   D" and resid   88 and name  HB1)
assign (segid "   D" and resid   88 and name  HB1) (segid "   D" and resid   88 and name HD22) 1.992 0.496 0.496 weight 1.000 ! spec=13CN...13AB, no=68, id=39, vol=1.771233e+06
    or (segid "   D" and resid   88 and name  HB1) (segid "   D" and resid   88 and name HD21)
    or (segid "   D" and resid   88 and name  HB1) (segid "   D" and resid   88 and name HD23)
assign (segid "   D" and resid   88 and name HD22) (segid "   D" and resid   88 and name   HA) 2.536 0.804 0.804 weight 1.000 ! spec=13CN...13AB, no=70, id=40, vol=9.795152e+05
    or (segid "   D" and resid   88 and name HD21) (segid "   D" and resid   88 and name   HA)
    or (segid "   D" and resid   88 and name HD23) (segid "   D" and resid   88 and name   HA)
assign (segid "   D" and resid   62 and name   HA) (segid "   D" and resid   69 and name  HB1) 2.580 0.832 0.832 weight 1.000 ! spec=13CN...13AB, no=73, id=41, vol=7.697772e+05
assign (segid "   D" and resid   86 and name  HA2) (segid "   D" and resid   81 and name HG22) 2.261 0.639 0.639 weight 1.000 ! spec=13CN...13AB, no=77, id=43, vol=9.190746e+05
    or (segid "   D" and resid   86 and name  HA2) (segid "   D" and resid   81 and name HG21)
    or (segid "   D" and resid   86 and name  HA2) (segid "   D" and resid   81 and name HG23)
assign (segid "   D" and resid   86 and name  HA1) (segid "   D" and resid   81 and name HG22) 3.290 1.353 1.353 weight 1.000 ! spec=13CN...13AB, no=78, id=44, vol=1.067420e+06
    or (segid "   D" and resid   86 and name  HA1) (segid "   D" and resid   81 and name HG21)
    or (segid "   D" and resid   86 and name  HA1) (segid "   D" and resid   81 and name HG23)
assign (segid "   D" and resid   85 and name   HA) (segid "   D" and resid   85 and name  HB1) 2.488 0.774 0.774 weight 1.000 ! spec=13CN...13AB, no=80, id=46, vol=1.420980e+06
assign (segid "   D" and resid   80 and name  HB1) (segid "   D" and resid   80 and name   HA) 2.716 0.922 0.922 weight 1.000 ! spec=13CN...13AB, no=86, id=50, vol=8.626373e+05
assign (segid "   D" and resid   79 and name  HB2) (segid "   D" and resid   79 and name  HB1) 2.042 0.521 0.521 weight 1.000 ! spec=13CN...13AB, no=95, id=56, vol=1.338188e+06
assign (segid "   D" and resid   79 and name  HB1) (segid "   D" and resid   79 and name HD22) 2.319 0.672 0.672 weight 1.000 ! spec=13CN...13AB, no=97, id=57, vol=1.407168e+06
    or (segid "   D" and resid   79 and name  HB1) (segid "   D" and resid   79 and name HD21)
    or (segid "   D" and resid   79 and name  HB1) (segid "   D" and resid   79 and name HD23)
assign (segid "   D" and resid   79 and name  HB2) (segid "   D" and resid   79 and name HD22) 2.210 0.611 0.611 weight 1.000 ! spec=13CN...13AB, no=98, id=58, vol=2.150206e+06
    or (segid "   D" and resid   79 and name  HB2) (segid "   D" and resid   79 and name HD21)
    or (segid "   D" and resid   79 and name  HB2) (segid "   D" and resid   79 and name HD23)
assign (segid "   D" and resid   79 and name HD22) (segid "   D" and resid   61 and name  HB1) 3.133 1.227 1.227 weight 1.000 ! spec=13CN...13AB, no=99, id=59, vol=1.288786e+06
    or (segid "   D" and resid   79 and name HD21) (segid "   D" and resid   61 and name  HB1)
    or (segid "   D" and resid   79 and name HD23) (segid "   D" and resid   61 and name  HB1)
assign (segid "   D" and resid   61 and name  HB2) (segid "   D" and resid   79 and name HD22) 1.935 0.468 0.468 weight 1.000 ! spec=13CN...13AB, no=100, id=60, vol=1.423444e+06
    or (segid "   D" and resid   61 and name  HB2) (segid "   D" and resid   79 and name HD21)
    or (segid "   D" and resid   61 and name  HB2) (segid "   D" and resid   79 and name HD23)
assign (segid "   D" and resid   79 and name   HA) (segid "   D" and resid   79 and name HD12) 2.162 0.584 0.584 weight 1.000 ! spec=13CN...13AB, no=101, id=61, vol=2.036531e+06
    or (segid "   D" and resid   79 and name   HA) (segid "   D" and resid   79 and name HD11)
    or (segid "   D" and resid   79 and name   HA) (segid "   D" and resid   79 and name HD13)
assign (segid "   D" and resid   79 and name HD12) (segid "   D" and resid   63 and name   HA) 2.007 0.503 0.503 weight 1.000 ! spec=13CN...13AB, no=102, id=62, vol=3.991401e+06
    or (segid "   D" and resid   79 and name HD11) (segid "   D" and resid   63 and name   HA)
    or (segid "   D" and resid   79 and name HD13) (segid "   D" and resid   63 and name   HA)
assign (segid "   D" and resid   79 and name HD12) (segid "   D" and resid   90 and name  HB1) 2.416 0.730 0.730 weight 1.000 ! spec=13CN...13AB, no=103, id=63, vol=8.962399e+05
    or (segid "   D" and resid   79 and name HD11) (segid "   D" and resid   90 and name  HB1)
    or (segid "   D" and resid   79 and name HD13) (segid "   D" and resid   90 and name  HB1)
assign (segid "   D" and resid   79 and name HD12) (segid "   D" and resid   63 and name  HB2) 2.510 0.788 0.788 weight 1.000 ! spec=13CN...13AB, no=105, id=64, vol=1.021478e+06
    or (segid "   D" and resid   79 and name HD11) (segid "   D" and resid   63 and name  HB2)
    or (segid "   D" and resid   79 and name HD13) (segid "   D" and resid   63 and name  HB2)
assign (segid "   D" and resid   78 and name   HA) (segid "   D" and resid   78 and name  HB1) 2.618 0.856 0.856 weight 1.000 ! spec=13CN...13AB, no=107, id=65, vol=8.676770e+05
assign (segid "   D" and resid   77 and name  HA2) (segid "   D" and resid   77 and name  HA1) 1.982 0.491 0.491 weight 1.000 ! spec=13CN...13AB, no=112, id=69, vol=2.731293e+06
assign (segid "   D" and resid   76 and name  HB1) (segid "   D" and resid   76 and name   HA) 2.557 0.818 0.818 weight 1.000 ! spec=13CN...13AB, no=116, id=71, vol=1.164732e+06
assign (segid "   D" and resid   76 and name  HB2) (segid "   D" and resid   76 and name   HA) 2.810 0.987 0.987 weight 1.000 ! spec=13CN...13AB, no=117, id=72, vol=1.227957e+06
assign (segid "   D" and resid   74 and name  HB2) (segid "   D" and resid   74 and name  HB1) 2.187 0.598 0.598 weight 1.000 ! spec=13CN...13AB, no=120, id=75, vol=1.036598e+06
assign (segid "   D" and resid   74 and name   HA) (segid "   D" and resid   74 and name  HB1) 2.606 0.849 0.849 weight 1.000 ! spec=13CN...13AB, no=121, id=76, vol=8.545630e+05
assign (segid "   D" and resid   74 and name   HA) (segid "   D" and resid   74 and name  HB2) 3.192 1.274 1.274 weight 1.000 ! spec=13CN...13AB, no=122, id=77, vol=6.168018e+05
assign (segid "   D" and resid   73 and name   HA) (segid "   D" and resid   73 and name  HG2) 2.602 0.846 0.846 weight 1.000 ! spec=13CN...13AB, no=124, id=79, vol=1.234782e+06
assign (segid "   D" and resid   73 and name   HA) (segid "   D" and resid   73 and name  HB2) 2.493 0.777 0.777 weight 1.000 ! spec=13CN...13AB, no=125, id=80, vol=1.760335e+06
assign (segid "   D" and resid   73 and name   HA) (segid "   D" and resid   73 and name  HB1) 2.467 0.761 0.761 weight 1.000 ! spec=13CN...13AB, no=126, id=81, vol=1.720630e+06
assign (segid "   D" and resid   71 and name  HB2) (segid "   D" and resid   71 and name  HB1) 2.003 0.502 0.502 weight 1.000 ! spec=13CN...13AB, no=131, id=86, vol=1.737624e+06
assign (segid "   D" and resid   71 and name  HB2) (segid "   D" and resid   71 and name   HA) 2.555 0.816 0.816 weight 1.000 ! spec=13CN...13AB, no=132, id=87, vol=7.414258e+05
assign (segid "   D" and resid   71 and name  HB1) (segid "   D" and resid   71 and name   HA) 2.493 0.777 0.777 weight 1.000 ! spec=13CN...13AB, no=133, id=88, vol=1.001166e+06
assign (segid "   D" and resid   70 and name  HB1) (segid "   D" and resid   70 and name  HB2) 2.171 0.589 0.589 weight 1.000 ! spec=13CN...13AB, no=135, id=89, vol=9.103136e+05
assign (segid "   D" and resid   70 and name   HA) (segid "   D" and resid   70 and name  HB2) 3.062 1.172 1.172 weight 1.000 ! spec=13CN...13AB, no=137, id=91, vol=6.555736e+05
assign (segid "   D" and resid   69 and name  HB1) (segid "   D" and resid   69 and name  HB2) 2.083 0.543 0.543 weight 1.000 ! spec=13CN...13AB, no=140, id=93, vol=1.272380e+06
assign (segid "   D" and resid   69 and name  HB1) (segid "   D" and resid   59 and name  HB2) 3.364 1.415 1.415 weight 1.000 ! spec=13CN...13AB, no=142, id=95, vol=7.477856e+05
    or (segid "   D" and resid   69 and name  HB1) (segid "   D" and resid   59 and name  HB1)
    or (segid "   D" and resid   69 and name  HB1) (segid "   D" and resid   59 and name  HB3)
assign (segid "   D" and resid   68 and name   HA) (segid "   D" and resid   68 and name  HB1) 2.581 0.832 0.832 weight 1.000 ! spec=13CN...13AB, no=145, id=98, vol=8.641155e+05
assign (segid "   D" and resid   68 and name   HA) (segid "   D" and resid   68 and name  HB2) 2.966 1.100 1.100 weight 1.000 ! spec=13CN...13AB, no=146, id=99, vol=1.034881e+06
assign (segid "   D" and resid   65 and name   HA) (segid "   D" and resid   65 and name  HG2) 2.634 0.868 0.868 weight 1.000 ! spec=13CN...13AB, no=149, id=101, vol=7.926198e+05
assign (segid "   D" and resid   65 and name   HA) (segid "   D" and resid   65 and name  HB1) 2.481 0.770 0.770 weight 1.000 ! spec=13CN...13AB, no=150, id=102, vol=1.077695e+06
assign (segid "   D" and resid   65 and name   HA) (segid "   D" and resid   65 and name  HB2) 3.148 1.238 1.238 weight 1.000 ! spec=13CN...13AB, no=151, id=103, vol=6.610199e+05
assign (segid "   D" and resid   65 and name  HG1) (segid "   D" and resid   65 and name  HB1) 3.135 1.229 1.229 weight 1.000 ! spec=13CN...13AB, no=152, id=104, vol=8.404766e+05
assign (segid "   D" and resid   65 and name  HG2) (segid "   D" and resid   65 and name  HB2) 3.275 1.341 1.341 weight 1.000 ! spec=13CN...13AB, no=154, id=105, vol=6.454193e+05
assign (segid "   D" and resid   65 and name  HG1) (segid "   D" and resid   65 and name  HB2) 2.637 0.870 0.870 weight 1.000 ! spec=13CN...13AB, no=155, id=106, vol=6.655936e+05
assign (segid "   D" and resid   65 and name  HB2) (segid "   D" and resid   65 and name  HB1) 2.162 0.585 0.585 weight 1.000 ! spec=13CN...13AB, no=156, id=107, vol=1.052690e+06
assign (segid "   D" and resid   64 and name   HA) (segid "   D" and resid   64 and name  HG1) 3.015 1.136 1.136 weight 1.000 ! spec=13CN...13AB, no=158, id=109, vol=9.388147e+05
assign (segid "   D" and resid   64 and name  HG1) (segid "   D" and resid   64 and name  HG2) 1.773 0.393 0.393 weight 1.000 ! spec=13CN...13AB, no=162, id=113, vol=3.115034e+06
assign (segid "   D" and resid   62 and name  HB1) (segid "   D" and resid   62 and name  HB2) 2.155 0.580 0.580 weight 1.000 ! spec=13CN...13AB, no=168, id=118, vol=1.324929e+06
assign (segid "   D" and resid   61 and name  HB2) (segid "   D" and resid   61 and name   HA) 2.462 0.758 0.758 weight 1.000 ! spec=13CN...13AB, no=169, id=119, vol=1.041212e+06
assign (segid "   D" and resid   61 and name   HA) (segid "   D" and resid   61 and name  HB1) 2.597 0.843 0.843 weight 1.000 ! spec=13CN...13AB, no=170, id=120, vol=7.961115e+05
assign (segid "   D" and resid   60 and name   HA) (segid "   D" and resid   60 and name  HB2) 1.936 0.469 0.469 weight 1.000 ! spec=13CN...13AB, no=174, id=124, vol=4.246609e+06
    or (segid "   D" and resid   60 and name   HA) (segid "   D" and resid   60 and name  HB1)
    or (segid "   D" and resid   60 and name   HA) (segid "   D" and resid   60 and name  HB3)
assign (segid "   D" and resid   59 and name   HA) (segid "   D" and resid   59 and name  HB2) 1.891 0.447 0.447 weight 1.000 ! spec=13CN...13AB, no=176, id=126, vol=2.775519e+06
    or (segid "   D" and resid   59 and name   HA) (segid "   D" and resid   59 and name  HB1)
    or (segid "   D" and resid   59 and name   HA) (segid "   D" and resid   59 and name  HB3)
assign (segid "   D" and resid    9 and name   HA) (segid "   D" and resid   29 and name HG12) 2.477 0.767 0.767 weight 1.000 ! spec=13CN...13AB, no=181, id=128, vol=7.345348e+05
    or (segid "   D" and resid    9 and name   HA) (segid "   D" and resid   29 and name HG11)
    or (segid "   D" and resid    9 and name   HA) (segid "   D" and resid   29 and name HG13)
assign (segid "   D" and resid   16 and name  HA2) (segid "   D" and resid   16 and name  HA1) 1.912 0.457 0.457 weight 1.000 ! spec=13CN...13AB, no=186, id=132, vol=3.039803e+06
assign (segid "   D" and resid   55 and name   HA) (segid "   D" and resid   55 and name  HB1) 2.427 0.737 0.737 weight 1.000 ! spec=13CN...13AB, no=187, id=133, vol=1.482711e+06
assign (segid "   D" and resid   55 and name   HA) (segid "   D" and resid   55 and name  HB2) 2.416 0.729 0.729 weight 1.000 ! spec=13CN...13AB, no=188, id=134, vol=1.674188e+06
assign (segid "   D" and resid   54 and name   HA) (segid "   D" and resid   54 and name   HB) 2.865 1.026 1.026 weight 1.000 ! spec=13CN...13AB, no=193, id=139, vol=6.035517e+05
assign (segid "   D" and resid   54 and name   HB) (segid "   D" and resid   54 and name HG12) 1.868 0.436 0.436 weight 1.000 ! spec=13CN...13AB, no=198, id=144, vol=2.866764e+06
    or (segid "   D" and resid   54 and name   HB) (segid "   D" and resid   54 and name HG11)
    or (segid "   D" and resid   54 and name   HB) (segid "   D" and resid   54 and name HG13)
assign (segid "   D" and resid   54 and name   HA) (segid "   D" and resid   54 and name HG12) 2.226 0.619 0.619 weight 1.000 ! spec=13CN...13AB, no=199, id=145, vol=2.347780e+06
    or (segid "   D" and resid   54 and name   HA) (segid "   D" and resid   54 and name HG11)
    or (segid "   D" and resid   54 and name   HA) (segid "   D" and resid   54 and name HG13)
assign (segid "   D" and resid   54 and name HG12) (segid "   D" and resid   55 and name  HB1) 3.051 1.163 1.163 weight 1.000 ! spec=13CN...13AB, no=200, id=146, vol=5.852850e+05
    or (segid "   D" and resid   54 and name HG11) (segid "   D" and resid   55 and name  HB1)
    or (segid "   D" and resid   54 and name HG13) (segid "   D" and resid   55 and name  HB1)
assign (segid "   D" and resid   54 and name   HB) (segid "   D" and resid   54 and name HG22) 1.889 0.446 0.446 weight 1.000 ! spec=13CN...13AB, no=202, id=147, vol=2.767839e+06
    or (segid "   D" and resid   54 and name   HB) (segid "   D" and resid   54 and name HG21)
    or (segid "   D" and resid   54 and name   HB) (segid "   D" and resid   54 and name HG23)
assign (segid "   D" and resid   54 and name HG12) (segid "   D" and resid   54 and name HG22) 1.640 0.336 0.336 weight 1.000 ! spec=13CN...13AB, no=203, id=148, vol=4.791278e+06
    or (segid "   D" and resid   54 and name HG12) (segid "   D" and resid   54 and name HG21)
    or (segid "   D" and resid   54 and name HG12) (segid "   D" and resid   54 and name HG23)
    or (segid "   D" and resid   54 and name HG11) (segid "   D" and resid   54 and name HG22)
    or (segid "   D" and resid   54 and name HG11) (segid "   D" and resid   54 and name HG21)
    or (segid "   D" and resid   54 and name HG11) (segid "   D" and resid   54 and name HG23)
    or (segid "   D" and resid   54 and name HG13) (segid "   D" and resid   54 and name HG22)
    or (segid "   D" and resid   54 and name HG13) (segid "   D" and resid   54 and name HG21)
    or (segid "   D" and resid   54 and name HG13) (segid "   D" and resid   54 and name HG23)
assign (segid "   D" and resid   54 and name   HA) (segid "   D" and resid   54 and name HG22) 2.220 0.616 0.616 weight 1.000 ! spec=13CN...13AB, no=204, id=149, vol=2.371360e+06
    or (segid "   D" and resid   54 and name   HA) (segid "   D" and resid   54 and name HG21)
    or (segid "   D" and resid   54 and name   HA) (segid "   D" and resid   54 and name HG23)
assign (segid "   D" and resid   54 and name HG22) (segid "   D" and resid   74 and name  HB1) 2.280 0.650 0.650 weight 1.000 ! spec=13CN...13AB, no=205, id=150, vol=1.111147e+06
    or (segid "   D" and resid   54 and name HG21) (segid "   D" and resid   74 and name  HB1)
    or (segid "   D" and resid   54 and name HG23) (segid "   D" and resid   74 and name  HB1)
assign (segid "   D" and resid   54 and name HG22) (segid "   D" and resid   74 and name  HB2) 3.211 1.289 1.289 weight 1.000 ! spec=13CN...13AB, no=206, id=151, vol=7.572006e+05
    or (segid "   D" and resid   54 and name HG21) (segid "   D" and resid   74 and name  HB2)
    or (segid "   D" and resid   54 and name HG23) (segid "   D" and resid   74 and name  HB2)
assign (segid "   D" and resid   53 and name  HB1) (segid "   D" and resid   53 and name   HA) 3.395 1.441 1.441 weight 1.000 ! spec=13CN...13AB, no=208, id=153, vol=5.610396e+05
assign (segid "   D" and resid   53 and name  HB2) (segid "   D" and resid   53 and name   HA) 2.614 0.854 0.854 weight 1.000 ! spec=13CN...13AB, no=209, id=154, vol=1.110705e+06
assign (segid "   D" and resid   52 and name   HA) (segid "   D" and resid   52 and name  HB2) 2.542 0.808 0.808 weight 1.000 ! spec=13CN...13AB, no=210, id=155, vol=6.582387e+05
assign (segid "   D" and resid   52 and name   HA) (segid "   D" and resid   52 and name  HB1) 3.060 1.170 1.170 weight 1.000 ! spec=13CN...13AB, no=211, id=156, vol=6.771074e+05
assign (segid "   D" and resid   50 and name  HB2) (segid "   D" and resid   50 and name  HB1) 2.219 0.616 0.616 weight 1.000 ! spec=13CN...13AB, no=219, id=164, vol=1.164598e+06
assign (segid "   D" and resid   50 and name  HB1) (segid "   D" and resid   50 and name   HA) 2.594 0.841 0.841 weight 1.000 ! spec=13CN...13AB, no=220, id=165, vol=9.563972e+05
assign (segid "   D" and resid   50 and name   HA) (segid "   D" and resid   50 and name  HB2) 3.246 1.317 1.317 weight 1.000 ! spec=13CN...13AB, no=221, id=166, vol=6.859996e+05
assign (segid "   D" and resid   50 and name   HA) (segid "   D" and resid   62 and name  HE1) 3.135 1.228 1.228 weight 1.000 ! spec=13CN...13AB, no=222, id=167, vol=8.058963e+05
    or (segid "   D" and resid   50 and name   HA) (segid "   D" and resid   62 and name  HE2)
assign (segid "   D" and resid   49 and name   HA) (segid "   D" and resid   49 and name  HB2) 2.891 1.045 1.045 weight 1.000 ! spec=13CN...13AB, no=224, id=169, vol=4.817660e+05
assign (segid "   D" and resid   49 and name   HA) (segid "   D" and resid   49 and name  HB1) 3.187 1.270 1.270 weight 1.000 ! spec=13CN...13AB, no=225, id=170, vol=4.812443e+05
assign (segid "   D" and resid   49 and name  HB2) (segid "   D" and resid   49 and name  HB1) 2.236 0.625 0.625 weight 1.000 ! spec=13CN...13AB, no=226, id=171, vol=9.911193e+05
assign (segid "   D" and resid   45 and name  HB2) (segid "   D" and resid   45 and name   HA) 2.660 0.884 0.884 weight 1.000 ! spec=13CN...13AB, no=229, id=174, vol=5.782630e+05
assign (segid "   D" and resid   42 and name  HB2) (segid "   D" and resid   42 and name   HA) 1.976 0.488 0.488 weight 1.000 ! spec=13CN...13AB, no=232, id=176, vol=3.365583e+06
    or (segid "   D" and resid   42 and name  HB1) (segid "   D" and resid   42 and name   HA)
    or (segid "   D" and resid   42 and name  HB3) (segid "   D" and resid   42 and name   HA)
assign (segid "   D" and resid   75 and name   HA) (segid "   D" and resid   70 and name  HB1) 3.044 1.158 1.158 weight 1.000 ! spec=13CN...13AB, no=237, id=179, vol=6.763422e+05
assign (segid "   D" and resid   75 and name   HA) (segid "   D" and resid   70 and name  HB2) 2.539 0.806 0.806 weight 1.000 ! spec=13CN...13AB, no=238, id=180, vol=8.576360e+05
assign (segid "   D" and resid   75 and name  HB1) (segid "   D" and resid   75 and name  HD1) 2.567 0.823 0.823 weight 1.000 ! spec=13CN...13AB, no=239, id=181, vol=4.998548e+05
assign (segid "   D" and resid   75 and name  HB2) (segid "   D" and resid   75 and name  HD1) 3.167 1.254 1.254 weight 1.000 ! spec=13CN...13AB, no=240, id=182, vol=4.385758e+05
assign (segid "   D" and resid   38 and name   HA) (segid "   D" and resid   38 and name HG21) 2.331 0.679 0.679 weight 1.000 ! spec=13CN...13AB, no=245, id=184, vol=2.004685e+06
    or (segid "   D" and resid   38 and name   HA) (segid "   D" and resid   38 and name HG22)
    or (segid "   D" and resid   38 and name   HA) (segid "   D" and resid   38 and name HG23)
assign (segid "   D" and resid   38 and name HG21) (segid "   D" and resid   38 and name   HB) 1.990 0.495 0.495 weight 1.000 ! spec=13CN...13AB, no=248, id=186, vol=3.489500e+06
    or (segid "   D" and resid   38 and name HG22) (segid "   D" and resid   38 and name   HB)
    or (segid "   D" and resid   38 and name HG23) (segid "   D" and resid   38 and name   HB)
assign (segid "   D" and resid   36 and name   HA) (segid "   D" and resid   36 and name  HB2) 2.667 0.889 0.889 weight 1.000 ! spec=13CN...13AB, no=249, id=187, vol=1.483750e+06
assign (segid "   D" and resid   36 and name   HA) (segid "   D" and resid   36 and name  HB1) 2.561 0.820 0.820 weight 1.000 ! spec=13CN...13AB, no=250, id=188, vol=1.214461e+06
assign (segid "   D" and resid   33 and name  HB1) (segid "   D" and resid   33 and name   HA) 2.726 0.929 0.929 weight 1.000 ! spec=13CN...13AB, no=259, id=191, vol=1.210931e+06
assign (segid "   D" and resid   33 and name  HB2) (segid "   D" and resid   33 and name   HA) 2.603 0.847 0.847 weight 1.000 ! spec=13CN...13AB, no=260, id=192, vol=1.338159e+06
assign (segid "   D" and resid   32 and name   HA) (segid "   D" and resid   32 and name  HB2) 1.908 0.455 0.455 weight 1.000 ! spec=13CN...13AB, no=262, id=194, vol=3.219518e+06
    or (segid "   D" and resid   32 and name   HA) (segid "   D" and resid   32 and name  HB1)
    or (segid "   D" and resid   32 and name   HA) (segid "   D" and resid   32 and name  HB3)
assign (segid "   D" and resid   31 and name  HB1) (segid "   D" and resid   31 and name   HA) 2.752 0.947 0.947 weight 1.000 ! spec=13CN...13AB, no=263, id=195, vol=5.145407e+05
assign (segid "   D" and resid   31 and name  HB2) (segid "   D" and resid   31 and name  HB1) 2.142 0.574 0.574 weight 1.000 ! spec=13CN...13AB, no=265, id=197, vol=1.128381e+06
assign (segid "   D" and resid   30 and name   HA) (segid "   D" and resid   30 and name  HB2) 3.076 1.183 1.183 weight 1.000 ! spec=13CN...13AB, no=266, id=198, vol=6.520086e+05
assign (segid "   D" and resid   30 and name   HA) (segid "   D" and resid   30 and name  HB1) 2.704 0.914 0.914 weight 1.000 ! spec=13CN...13AB, no=267, id=199, vol=4.619397e+05
assign (segid "   D" and resid   30 and name  HB1) (segid "   D" and resid   30 and name  HB2) 2.100 0.551 0.551 weight 1.000 ! spec=13CN...13AB, no=268, id=200, vol=1.169089e+06
assign (segid "   D" and resid   26 and name   HA) (segid "   D" and resid   26 and name  HB2) 2.815 0.991 0.991 weight 1.000 ! spec=13CN...13AB, no=269, id=201, vol=5.837961e+05
assign (segid "   D" and resid   26 and name  HB2) (segid "   D" and resid   26 and name  HB1) 2.098 0.550 0.550 weight 1.000 ! spec=13CN...13AB, no=270, id=202, vol=1.253276e+06
assign (segid "   D" and resid   25 and name  HA2) (segid "   D" and resid   25 and name  HA1) 2.046 0.523 0.523 weight 1.000 ! spec=13CN...13AB, no=273, id=205, vol=2.319610e+06
assign (segid "   D" and resid   27 and name  HD2) (segid "   D" and resid   27 and name  HD1) 2.016 0.508 0.508 weight 1.000 ! spec=13CN...13AB, no=276, id=206, vol=1.493224e+06
assign (segid "   D" and resid   27 and name  HD2) (segid "   D" and resid   27 and name  HB2) 3.396 1.442 1.442 weight 1.000 ! spec=13CN...13AB, no=279, id=209, vol=9.250977e+05
assign (segid "   D" and resid   27 and name  HD2) (segid "   D" and resid   27 and name  HB1) 3.447 1.485 1.485 weight 1.000 ! spec=13CN...13AB, no=280, id=210, vol=8.097713e+05
assign (segid "   D" and resid   81 and name HG22) (segid "   D" and resid   81 and name   HA) 2.010 0.505 0.505 weight 1.000 ! spec=13CN...13AB, no=288, id=212, vol=3.451506e+06
    or (segid "   D" and resid   81 and name HG21) (segid "   D" and resid   81 and name   HA)
    or (segid "   D" and resid   81 and name HG23) (segid "   D" and resid   81 and name   HA)
assign (segid "   D" and resid   81 and name HG22) (segid "   D" and resid   81 and name   HB) 1.852 0.429 0.429 weight 1.000 ! spec=13CN...13AB, no=291, id=213, vol=4.050766e+06
    or (segid "   D" and resid   81 and name HG21) (segid "   D" and resid   81 and name   HB)
    or (segid "   D" and resid   81 and name HG23) (segid "   D" and resid   81 and name   HB)
assign (segid "   D" and resid   81 and name HG22) (segid "   D" and resid   81 and name HG12) 2.708 0.917 0.917 weight 1.000 ! spec=13CN...13AB, no=292, id=214, vol=1.888344e+06
    or (segid "   D" and resid   81 and name HG21) (segid "   D" and resid   81 and name HG12)
    or (segid "   D" and resid   81 and name HG23) (segid "   D" and resid   81 and name HG12)
assign (segid "   D" and resid   81 and name HG22) (segid "   D" and resid   81 and name HG11) 2.226 0.619 0.619 weight 1.000 ! spec=13CN...13AB, no=293, id=215, vol=1.788579e+06
    or (segid "   D" and resid   81 and name HG21) (segid "   D" and resid   81 and name HG11)
    or (segid "   D" and resid   81 and name HG23) (segid "   D" and resid   81 and name HG11)
assign (segid "   D" and resid   81 and name HD12) (segid "   D" and resid   81 and name   HB) 2.771 0.959 0.959 weight 1.000 ! spec=13CN...13AB, no=294, id=216, vol=1.866305e+06
    or (segid "   D" and resid   81 and name HD11) (segid "   D" and resid   81 and name   HB)
    or (segid "   D" and resid   81 and name HD13) (segid "   D" and resid   81 and name   HB)
assign (segid "   D" and resid   81 and name HD12) (segid "   D" and resid   81 and name HG12) 1.926 0.463 0.463 weight 1.000 ! spec=13CN...13AB, no=295, id=217, vol=3.482789e+06
    or (segid "   D" and resid   81 and name HD11) (segid "   D" and resid   81 and name HG12)
    or (segid "   D" and resid   81 and name HD13) (segid "   D" and resid   81 and name HG12)
assign (segid "   D" and resid   81 and name HD12) (segid "   D" and resid   81 and name HG11) 1.939 0.470 0.470 weight 1.000 ! spec=13CN...13AB, no=296, id=218, vol=3.448425e+06
    or (segid "   D" and resid   81 and name HD11) (segid "   D" and resid   81 and name HG11)
    or (segid "   D" and resid   81 and name HD13) (segid "   D" and resid   81 and name HG11)
assign (segid "   D" and resid   81 and name HD12) (segid "   D" and resid   81 and name   HA) 2.182 0.595 0.595 weight 1.000 ! spec=13CN...13AB, no=298, id=219, vol=1.612576e+06
    or (segid "   D" and resid   81 and name HD11) (segid "   D" and resid   81 and name   HA)
    or (segid "   D" and resid   81 and name HD13) (segid "   D" and resid   81 and name   HA)
assign (segid "   D" and resid   81 and name HG22) (segid "   D" and resid   88 and name   HA) 3.519 1.548 1.548 weight 1.000 ! spec=13CN...13AB, no=299, id=220, vol=4.406072e+05
    or (segid "   D" and resid   81 and name HG21) (segid "   D" and resid   88 and name   HA)
    or (segid "   D" and resid   81 and name HG23) (segid "   D" and resid   88 and name   HA)
assign (segid "   D" and resid   20 and name   HA) (segid "   D" and resid   20 and name  HB1) 2.863 1.025 1.025 weight 1.000 ! spec=13CN...13AB, no=302, id=223, vol=1.173616e+06
assign (segid "   D" and resid   20 and name   HA) (segid "   D" and resid   20 and name  HB2) 2.335 0.681 0.681 weight 1.000 ! spec=13CN...13AB, no=303, id=224, vol=1.282443e+06
assign (segid "   D" and resid   20 and name  HB1) (segid "   D" and resid   29 and name HG22) 3.395 1.441 1.441 weight 1.000 ! spec=13CN...13AB, no=306, id=226, vol=7.990132e+05
    or (segid "   D" and resid   20 and name  HB1) (segid "   D" and resid   29 and name HG21)
    or (segid "   D" and resid   20 and name  HB1) (segid "   D" and resid   29 and name HG23)
assign (segid "   D" and resid   19 and name HG22) (segid "   D" and resid   19 and name   HB) 2.011 0.505 0.505 weight 1.000 ! spec=13CN...13AB, no=310, id=229, vol=2.454186e+06
    or (segid "   D" and resid   19 and name HG21) (segid "   D" and resid   19 and name   HB)
    or (segid "   D" and resid   19 and name HG23) (segid "   D" and resid   19 and name   HB)
assign (segid "   D" and resid   19 and name HG22) (segid "   D" and resid   19 and name   HA) 2.399 0.719 0.719 weight 1.000 ! spec=13CN...13AB, no=311, id=230, vol=1.645347e+06
    or (segid "   D" and resid   19 and name HG21) (segid "   D" and resid   19 and name   HA)
    or (segid "   D" and resid   19 and name HG23) (segid "   D" and resid   19 and name   HA)
assign (segid "   D" and resid   19 and name   HA) (segid "   D" and resid   19 and name   HB) 2.398 0.719 0.719 weight 1.000 ! spec=13CN...13AB, no=312, id=231, vol=1.303546e+06
assign (segid "   D" and resid   18 and name HD22) (segid "   D" and resid   18 and name   HG) 1.830 0.419 0.419 weight 1.000 ! spec=13CN...13AB, no=316, id=235, vol=3.081973e+06
    or (segid "   D" and resid   18 and name HD21) (segid "   D" and resid   18 and name   HG)
    or (segid "   D" and resid   18 and name HD23) (segid "   D" and resid   18 and name   HG)
assign (segid "   D" and resid   18 and name HD22) (segid "   D" and resid   18 and name HD12) 1.881 0.442 0.442 weight 1.000 ! spec=13CN...13AB, no=317, id=236, vol=2.052926e+06
    or (segid "   D" and resid   18 and name HD22) (segid "   D" and resid   18 and name HD11)
    or (segid "   D" and resid   18 and name HD22) (segid "   D" and resid   18 and name HD13)
    or (segid "   D" and resid   18 and name HD21) (segid "   D" and resid   18 and name HD12)
    or (segid "   D" and resid   18 and name HD21) (segid "   D" and resid   18 and name HD11)
    or (segid "   D" and resid   18 and name HD21) (segid "   D" and resid   18 and name HD13)
    or (segid "   D" and resid   18 and name HD23) (segid "   D" and resid   18 and name HD12)
    or (segid "   D" and resid   18 and name HD23) (segid "   D" and resid   18 and name HD11)
    or (segid "   D" and resid   18 and name HD23) (segid "   D" and resid   18 and name HD13)
assign (segid "   D" and resid   18 and name HD22) (segid "   D" and resid   18 and name  HB1) 2.160 0.583 0.583 weight 1.000 ! spec=13CN...13AB, no=318, id=237, vol=1.161326e+06
    or (segid "   D" and resid   18 and name HD21) (segid "   D" and resid   18 and name  HB1)
    or (segid "   D" and resid   18 and name HD23) (segid "   D" and resid   18 and name  HB1)
assign (segid "   D" and resid   18 and name HD22) (segid "   D" and resid   18 and name  HB2) 2.847 1.013 1.013 weight 1.000 ! spec=13CN...13AB, no=319, id=238, vol=1.213546e+06
    or (segid "   D" and resid   18 and name HD21) (segid "   D" and resid   18 and name  HB2)
    or (segid "   D" and resid   18 and name HD23) (segid "   D" and resid   18 and name  HB2)
assign (segid "   D" and resid   18 and name HD22) (segid "   D" and resid    9 and name  HB2) 1.996 0.498 0.498 weight 1.000 ! spec=13CN...13AB, no=320, id=239, vol=1.303592e+06
    or (segid "   D" and resid   18 and name HD21) (segid "   D" and resid    9 and name  HB2)
    or (segid "   D" and resid   18 and name HD23) (segid "   D" and resid    9 and name  HB2)
assign (segid "   D" and resid   18 and name HD22) (segid "   D" and resid   18 and name   HA) 2.068 0.534 0.534 weight 1.000 ! spec=13CN...13AB, no=321, id=240, vol=2.693635e+06
    or (segid "   D" and resid   18 and name HD21) (segid "   D" and resid   18 and name   HA)
    or (segid "   D" and resid   18 and name HD23) (segid "   D" and resid   18 and name   HA)
assign (segid "   D" and resid    9 and name   HA) (segid "   D" and resid   18 and name HD22) 2.510 0.787 0.787 weight 1.000 ! spec=13CN...13AB, no=322, id=241, vol=9.965625e+05
    or (segid "   D" and resid    9 and name   HA) (segid "   D" and resid   18 and name HD21)
    or (segid "   D" and resid    9 and name   HA) (segid "   D" and resid   18 and name HD23)
assign (segid "   D" and resid   18 and name HD22) (segid "   D" and resid   30 and name   HA) 2.820 0.994 0.994 weight 1.000 ! spec=13CN...13AB, no=323, id=242, vol=3.873261e+05
    or (segid "   D" and resid   18 and name HD21) (segid "   D" and resid   30 and name   HA)
    or (segid "   D" and resid   18 and name HD23) (segid "   D" and resid   30 and name   HA)
assign (segid "   D" and resid   18 and name HD12) (segid "   D" and resid   18 and name   HA) 3.688 1.700 1.700 weight 1.000 ! spec=13CN...13AB, no=327, id=244, vol=3.767697e+05
    or (segid "   D" and resid   18 and name HD11) (segid "   D" and resid   18 and name   HA)
    or (segid "   D" and resid   18 and name HD13) (segid "   D" and resid   18 and name   HA)
assign (segid "   D" and resid   18 and name   HG) (segid "   D" and resid   18 and name HD12) 1.945 0.473 0.473 weight 1.000 ! spec=13CN...13AB, no=329, id=246, vol=2.220510e+06
    or (segid "   D" and resid   18 and name   HG) (segid "   D" and resid   18 and name HD11)
    or (segid "   D" and resid   18 and name   HG) (segid "   D" and resid   18 and name HD13)
assign (segid "   D" and resid   18 and name   HG) (segid "   D" and resid   18 and name  HB1) 2.528 0.799 0.799 weight 1.000 ! spec=13CN...13AB, no=330, id=247, vol=1.242099e+06
assign (segid "   D" and resid   18 and name   HG) (segid "   D" and resid   18 and name   HA) 2.421 0.732 0.732 weight 1.000 ! spec=13CN...13AB, no=332, id=248, vol=1.419223e+06
assign (segid "   D" and resid   18 and name   HG) (segid "   D" and resid    7 and name   HA) 3.055 1.167 2.945 weight 1.000 ! spec=13CN...13AB, no=333, id=249, vol=8.519459e+05
assign (segid "   D" and resid   18 and name   HG) (segid "   D" and resid    8 and name   HA) 2.825 0.997 3.175 weight 1.000 ! spec=13CN...13AB, no=334, id=250, vol=9.907502e+05
assign (segid "   D" and resid   18 and name  HB1) (segid "   D" and resid   18 and name   HA) 2.833 1.003 1.003 weight 1.000 ! spec=13CN...13AB, no=338, id=253, vol=3.250784e+05
assign (segid "   D" and resid   18 and name  HB2) (segid "   D" and resid   18 and name   HA) 3.246 1.317 1.317 weight 1.000 ! spec=13CN...13AB, no=339, id=254, vol=4.220078e+05
assign (segid "   D" and resid   18 and name  HB1) (segid "   D" and resid   18 and name HD12) 2.762 0.954 0.954 weight 1.000 ! spec=13CN...13AB, no=340, id=255, vol=5.756802e+05
    or (segid "   D" and resid   18 and name  HB1) (segid "   D" and resid   18 and name HD11)
    or (segid "   D" and resid   18 and name  HB1) (segid "   D" and resid   18 and name HD13)
assign (segid "   D" and resid   18 and name  HB2) (segid "   D" and resid   18 and name HD12) 2.494 0.778 0.778 weight 1.000 ! spec=13CN...13AB, no=341, id=256, vol=6.617990e+05
    or (segid "   D" and resid   18 and name  HB2) (segid "   D" and resid   18 and name HD11)
    or (segid "   D" and resid   18 and name  HB2) (segid "   D" and resid   18 and name HD13)
assign (segid "   D" and resid   18 and name  HB2) (segid "   D" and resid   18 and name   HG) 2.463 0.759 0.759 weight 1.000 ! spec=13CN...13AB, no=343, id=258, vol=8.417922e+05
assign (segid "   D" and resid   24 and name  HG1) (segid "   D" and resid   24 and name   HA) 2.985 1.114 1.114 weight 1.000 ! spec=13CN...13AB, no=350, id=265, vol=7.211719e+05
assign (segid "   D" and resid   17 and name   HA) (segid "   D" and resid   17 and name  HG2) 2.835 1.005 1.005 weight 1.000 ! spec=13CN...13AB, no=351, id=266, vol=1.345674e+06
assign (segid "   D" and resid   17 and name   HA) (segid "   D" and resid   17 and name  HG1) 2.446 0.748 0.748 weight 1.000 ! spec=13CN...13AB, no=352, id=267, vol=1.327310e+06
assign (segid "   D" and resid   15 and name   HA) (segid "   D" and resid   15 and name  HB2) 1.812 0.410 0.410 weight 1.000 ! spec=13CN...13AB, no=354, id=269, vol=4.492034e+06
    or (segid "   D" and resid   15 and name   HA) (segid "   D" and resid   15 and name  HB1)
    or (segid "   D" and resid   15 and name   HA) (segid "   D" and resid   15 and name  HB3)
assign (segid "   D" and resid   14 and name  HB2) (segid "   D" and resid   14 and name   HA) 2.980 1.110 1.110 weight 1.000 ! spec=13CN...13AB, no=355, id=270, vol=1.017902e+06
assign (segid "   D" and resid   14 and name  HB1) (segid "   D" and resid   14 and name   HA) 2.630 0.865 0.865 weight 1.000 ! spec=13CN...13AB, no=356, id=271, vol=1.050054e+06
assign (segid "   D" and resid   56 and name  HA2) (segid "   D" and resid   56 and name  HA1) 1.911 0.456 0.456 weight 1.000 ! spec=13CN...13AB, no=359, id=274, vol=3.122785e+06
assign (segid "   D" and resid   12 and name   HA) (segid "   D" and resid   12 and name  HB2) 2.777 0.964 0.964 weight 1.000 ! spec=13CN...13AB, no=360, id=275, vol=1.374589e+06
assign (segid "   D" and resid   12 and name   HA) (segid "   D" and resid   12 and name  HB1) 2.593 0.841 0.841 weight 1.000 ! spec=13CN...13AB, no=361, id=276, vol=1.113973e+06
assign (segid "   D" and resid   12 and name  HB2) (segid "   D" and resid   12 and name  HB1) 2.058 0.529 0.529 weight 1.000 ! spec=13CN...13AB, no=365, id=279, vol=1.520104e+06
assign (segid "   D" and resid   11 and name   HA) (segid "   D" and resid   11 and name  HB1) 2.455 0.753 0.753 weight 1.000 ! spec=13CN...13AB, no=367, id=281, vol=1.545325e+06
assign (segid "   D" and resid   11 and name   HA) (segid "   D" and resid   11 and name  HB2) 2.799 0.979 0.979 weight 1.000 ! spec=13CN...13AB, no=368, id=282, vol=1.020852e+06
assign (segid "   D" and resid   10 and name  HB1) (segid "   D" and resid   10 and name   HA) 3.625 1.642 1.642 weight 1.000 ! spec=13CN...13AB, no=371, id=284, vol=3.271364e+05
assign (segid "   D" and resid   10 and name  HB1) (segid "   D" and resid   10 and name  HB2) 2.423 0.734 0.734 weight 1.000 ! spec=13CN...13AB, no=372, id=285, vol=5.792684e+05
assign (segid "   D" and resid    9 and name   HA) (segid "   D" and resid    9 and name  HB1) 2.951 1.089 1.089 weight 1.000 ! spec=13CN...13AB, no=374, id=287, vol=6.549364e+05
assign (segid "   D" and resid    8 and name   HA) (segid "   D" and resid    8 and name  HB1) 2.762 0.954 0.954 weight 1.000 ! spec=13CN...13AB, no=377, id=290, vol=1.374418e+06
assign (segid "   D" and resid    8 and name   HA) (segid "   D" and resid    8 and name  HB2) 2.361 0.697 0.697 weight 1.000 ! spec=13CN...13AB, no=378, id=291, vol=1.312740e+06
assign (segid "   D" and resid    4 and name  HB2) (segid "   D" and resid    4 and name   HA) 2.684 0.900 0.900 weight 1.000 ! spec=13CN...13AB, no=393, id=302, vol=1.592748e+06
assign (segid "   D" and resid    3 and name  HG2) (segid "   D" and resid    3 and name   HA) 3.589 1.610 1.610 weight 1.000 ! spec=13CN...13AB, no=396, id=305, vol=4.716637e+05
assign (segid "   D" and resid    3 and name  HG1) (segid "   D" and resid    3 and name   HA) 3.011 1.133 1.133 weight 1.000 ! spec=13CN...13AB, no=397, id=306, vol=4.818816e+05
assign (segid "   D" and resid    2 and name   HA) (segid "   D" and resid    2 and name  HB2) 2.038 0.519 0.519 weight 1.000 ! spec=13CN...13AB, no=399, id=308, vol=3.292278e+06
    or (segid "   D" and resid    2 and name   HA) (segid "   D" and resid    2 and name  HB1)
    or (segid "   D" and resid    2 and name   HA) (segid "   D" and resid    2 and name  HB3)
assign (segid "   D" and resid   84 and name  HB1) (segid "   D" and resid   84 and name   HA) 2.349 0.690 0.690 weight 1.000 ! spec=13CN...13AB, no=403, id=310, vol=1.635706e+06
assign (segid "   D" and resid   84 and name  HB2) (segid "   D" and resid   84 and name   HA) 2.584 0.835 0.835 weight 1.000 ! spec=13CN...13AB, no=404, id=311, vol=1.780126e+06
assign (segid "   D" and resid   84 and name HD22) (segid "   D" and resid   84 and name   HA) 2.228 0.620 0.620 weight 1.000 ! spec=13CN...13AB, no=407, id=312, vol=2.180470e+06
    or (segid "   D" and resid   84 and name HD21) (segid "   D" and resid   84 and name   HA)
    or (segid "   D" and resid   84 and name HD23) (segid "   D" and resid   84 and name   HA)
assign (segid "   D" and resid   81 and name   HB) (segid "   D" and resid   81 and name HG12) 2.504 0.783 0.783 weight 1.000 ! spec=13CN...13AB, no=408, id=313, vol=1.132165e+06
assign (segid "   D" and resid   81 and name   HB) (segid "   D" and resid   81 and name HG11) 2.608 0.850 0.850 weight 1.000 ! spec=13CN...13AB, no=409, id=314, vol=7.971286e+05
assign (segid "   D" and resid   81 and name   HB) (segid "   D" and resid   81 and name   HA) 2.765 0.955 0.955 weight 1.000 ! spec=13CN...13AB, no=412, id=317, vol=6.823719e+05
assign (segid "   D" and resid   81 and name   HA) (segid "   D" and resid   81 and name HG12) 2.651 0.878 0.878 weight 1.000 ! spec=13CN...13AB, no=413, id=318, vol=6.671388e+05
assign (segid "   D" and resid   81 and name   HA) (segid "   D" and resid   81 and name HG11) 3.192 1.273 1.273 weight 1.000 ! spec=13CN...13AB, no=418, id=322, vol=6.992928e+05
assign (segid "   D" and resid   28 and name   HA) (segid "   D" and resid   28 and name  HB2) 3.096 1.198 1.198 weight 1.000 ! spec=13CN...13AB, no=419, id=323, vol=4.095775e+05
assign (segid "   D" and resid   28 and name   HA) (segid "   D" and resid   28 and name  HB1) 3.072 1.180 1.180 weight 1.000 ! spec=13CN...13AB, no=420, id=324, vol=4.048894e+05
assign (segid "   D" and resid   28 and name  HB2) (segid "   D" and resid   28 and name  HB1) 2.330 0.679 0.679 weight 1.000 ! spec=13CN...13AB, no=422, id=325, vol=5.278429e+05
assign (segid "   D" and resid   75 and name  HG2) (segid "   D" and resid   75 and name  HD2) 2.769 0.958 0.958 weight 1.000 ! spec=13CN...13AB, no=424, id=327, vol=1.213958e+06
assign (segid "   D" and resid   87 and name  HD1) (segid "   D" and resid   87 and name   HA) 3.871 1.873 1.873 weight 1.000 ! spec=13CN...13AB, no=433, id=328, vol=4.537252e+05
assign (segid "   D" and resid   87 and name  HD1) (segid "   D" and resid   87 and name  HB2) 3.195 1.276 1.276 weight 1.000 ! spec=13CN...13AB, no=434, id=329, vol=6.388162e+05
assign (segid "   D" and resid   83 and name   HA) (segid "   D" and resid   83 and name  HB1) 2.088 0.545 0.545 weight 1.000 ! spec=13CN...13AB, no=437, id=332, vol=3.541717e+06
assign (segid "   D" and resid   75 and name   HA) (segid "   D" and resid   75 and name  HD1) 4.482 2.511 2.511 weight 1.000 ! spec=13CN...13AB, no=445, id=337, vol=2.544969e+05
assign (segid "   D" and resid   75 and name  HD2) (segid "   D" and resid   72 and name   HA) 3.449 1.487 1.487 weight 1.000 ! spec=13CN...13AB, no=446, id=338, vol=8.632101e+05
assign (segid "   D" and resid   75 and name  HD1) (segid "   D" and resid   72 and name   HA) 2.347 0.688 0.688 weight 1.000 ! spec=13CN...13AB, no=447, id=339, vol=8.158597e+05
assign (segid "   D" and resid   75 and name  HD1) (segid "   D" and resid   75 and name  HG1) 3.172 1.257 1.257 weight 1.000 ! spec=13CN...13AB, no=449, id=341, vol=5.429883e+05
assign (segid "   D" and resid   72 and name   HA) (segid "   D" and resid   72 and name  HG1) 2.885 1.041 1.041 weight 1.000 ! spec=13CN...13AB, no=453, id=345, vol=6.696423e+05
assign (segid "   D" and resid   72 and name   HA) (segid "   D" and resid   72 and name  HG2) 2.409 0.726 0.726 weight 1.000 ! spec=13CN...13AB, no=455, id=346, vol=7.516900e+05
assign (segid "   D" and resid   29 and name   HA) (segid "   D" and resid   29 and name   HB) 2.483 0.771 0.771 weight 1.000 ! spec=13CN...13AB, no=473, id=361, vol=1.030992e+06
assign (segid "   D" and resid   29 and name HG22) (segid "   D" and resid   29 and name HG12) 1.718 0.369 0.369 weight 1.000 ! spec=13CN...13AB, no=479, id=367, vol=3.788976e+06
    or (segid "   D" and resid   29 and name HG22) (segid "   D" and resid   29 and name HG11)
    or (segid "   D" and resid   29 and name HG22) (segid "   D" and resid   29 and name HG13)
    or (segid "   D" and resid   29 and name HG21) (segid "   D" and resid   29 and name HG12)
    or (segid "   D" and resid   29 and name HG21) (segid "   D" and resid   29 and name HG11)
    or (segid "   D" and resid   29 and name HG21) (segid "   D" and resid   29 and name HG13)
    or (segid "   D" and resid   29 and name HG23) (segid "   D" and resid   29 and name HG12)
    or (segid "   D" and resid   29 and name HG23) (segid "   D" and resid   29 and name HG11)
    or (segid "   D" and resid   29 and name HG23) (segid "   D" and resid   29 and name HG13)
assign (segid "   D" and resid   29 and name   HB) (segid "   D" and resid   29 and name HG12) 2.067 0.534 0.534 weight 1.000 ! spec=13CN...13AB, no=481, id=369, vol=1.780905e+06
    or (segid "   D" and resid   29 and name   HB) (segid "   D" and resid   29 and name HG11)
    or (segid "   D" and resid   29 and name   HB) (segid "   D" and resid   29 and name HG13)
assign (segid "   D" and resid   29 and name HG12) (segid "   D" and resid   18 and name  HB2) 3.103 1.204 1.204 weight 1.000 ! spec=13CN...13AB, no=483, id=370, vol=4.969154e+05
    or (segid "   D" and resid   29 and name HG11) (segid "   D" and resid   18 and name  HB2)
    or (segid "   D" and resid   29 and name HG13) (segid "   D" and resid   18 and name  HB2)
assign (segid "   D" and resid   29 and name HG12) (segid "   D" and resid   18 and name  HB1) 2.412 0.727 0.727 weight 1.000 ! spec=13CN...13AB, no=484, id=371, vol=5.585996e+05
    or (segid "   D" and resid   29 and name HG11) (segid "   D" and resid   18 and name  HB1)
    or (segid "   D" and resid   29 and name HG13) (segid "   D" and resid   18 and name  HB1)
assign (segid "   D" and resid   29 and name   HB) (segid "   D" and resid   29 and name HG22) 1.816 0.412 0.412 weight 1.000 ! spec=13CN...13AB, no=485, id=372, vol=4.021240e+06
    or (segid "   D" and resid   29 and name   HB) (segid "   D" and resid   29 and name HG21)
    or (segid "   D" and resid   29 and name   HB) (segid "   D" and resid   29 and name HG23)
assign (segid "   D" and resid   29 and name   HA) (segid "   D" and resid   29 and name HG12) 3.014 1.135 1.135 weight 1.000 ! spec=13CN...13AB, no=487, id=373, vol=5.499486e+05
    or (segid "   D" and resid   29 and name   HA) (segid "   D" and resid   29 and name HG11)
    or (segid "   D" and resid   29 and name   HA) (segid "   D" and resid   29 and name HG13)
assign (segid "   D" and resid   29 and name HG12) (segid "   D" and resid    7 and name   HA) 2.889 1.044 1.044 weight 1.000 ! spec=13CN...13AB, no=489, id=374, vol=5.912020e+05
    or (segid "   D" and resid   29 and name HG11) (segid "   D" and resid    7 and name   HA)
    or (segid "   D" and resid   29 and name HG13) (segid "   D" and resid    7 and name   HA)
assign (segid "   D" and resid   29 and name   HA) (segid "   D" and resid   29 and name HG22) 2.186 0.597 0.597 weight 1.000 ! spec=13CN...13AB, no=493, id=377, vol=2.025648e+06
    or (segid "   D" and resid   29 and name   HA) (segid "   D" and resid   29 and name HG21)
    or (segid "   D" and resid   29 and name   HA) (segid "   D" and resid   29 and name HG23)
assign (segid "   D" and resid   20 and name   HA) (segid "   D" and resid   29 and name HG22) 2.085 0.543 0.543 weight 1.000 ! spec=13CN...13AB, no=494, id=378, vol=2.827167e+06
    or (segid "   D" and resid   20 and name   HA) (segid "   D" and resid   29 and name HG21)
    or (segid "   D" and resid   20 and name   HA) (segid "   D" and resid   29 and name HG23)
assign (segid "   D" and resid   20 and name  HB2) (segid "   D" and resid   29 and name HG22) 2.103 0.553 0.553 weight 1.000 ! spec=13CN...13AB, no=495, id=379, vol=1.618559e+06
    or (segid "   D" and resid   20 and name  HB2) (segid "   D" and resid   29 and name HG21)
    or (segid "   D" and resid   20 and name  HB2) (segid "   D" and resid   29 and name HG23)
assign (segid "   D" and resid   39 and name   HA) (segid "   D" and resid   39 and name  HB2) 2.201 0.605 0.605 weight 1.000 ! spec=13CN...13AB, no=509, id=386, vol=2.301906e+06
assign (segid "   D" and resid   39 and name  HB1) (segid "   D" and resid   39 and name   HA) 2.657 0.882 0.882 weight 1.000 ! spec=13CN...13AB, no=512, id=389, vol=9.821208e+05
assign (segid "   D" and resid   21 and name   HA) (segid "   D" and resid   21 and name  HB2) 2.662 0.886 0.886 weight 1.000 ! spec=13CN...13AB, no=524, id=393, vol=7.130701e+05
assign (segid "   D" and resid   21 and name  HB1) (segid "   D" and resid   21 and name   HA) 3.147 1.238 1.238 weight 1.000 ! spec=13CN...13AB, no=525, id=394, vol=4.235462e+05
assign (segid "   D" and resid   37 and name   HA) (segid "   D" and resid   37 and name  HB1) 2.522 0.795 0.795 weight 1.000 ! spec=13CN...13AB, no=530, id=397, vol=9.440177e+05
assign (segid "   D" and resid   37 and name HD12) (segid "   D" and resid   32 and name  HB2) 2.214 0.613 0.613 weight 1.000 ! spec=13CN...13AB, no=533, id=399, vol=7.411823e+05
    or (segid "   D" and resid   37 and name HD12) (segid "   D" and resid   32 and name  HB1)
    or (segid "   D" and resid   37 and name HD12) (segid "   D" and resid   32 and name  HB3)
    or (segid "   D" and resid   37 and name HD11) (segid "   D" and resid   32 and name  HB2)
    or (segid "   D" and resid   37 and name HD11) (segid "   D" and resid   32 and name  HB1)
    or (segid "   D" and resid   37 and name HD11) (segid "   D" and resid   32 and name  HB3)
    or (segid "   D" and resid   37 and name HD13) (segid "   D" and resid   32 and name  HB2)
    or (segid "   D" and resid   37 and name HD13) (segid "   D" and resid   32 and name  HB1)
    or (segid "   D" and resid   37 and name HD13) (segid "   D" and resid   32 and name  HB3)
assign (segid "   D" and resid   37 and name HD12) (segid "   D" and resid   41 and name  HD2) 3.070 1.178 1.178 weight 1.000 ! spec=13CN...13AB, no=535, id=401, vol=4.201633e+05
    or (segid "   D" and resid   37 and name HD11) (segid "   D" and resid   41 and name  HD2)
    or (segid "   D" and resid   37 and name HD13) (segid "   D" and resid   41 and name  HD2)
assign (segid "   D" and resid   37 and name HD12) (segid "   D" and resid   32 and name   HA) 2.619 0.857 0.857 weight 1.000 ! spec=13CN...13AB, no=537, id=403, vol=5.756989e+05
    or (segid "   D" and resid   37 and name HD11) (segid "   D" and resid   32 and name   HA)
    or (segid "   D" and resid   37 and name HD13) (segid "   D" and resid   32 and name   HA)
assign (segid "   D" and resid   37 and name   HA) (segid "   D" and resid   37 and name HD22) 1.972 0.486 0.486 weight 1.000 ! spec=13CN...13AB, no=539, id=405, vol=3.133340e+06
    or (segid "   D" and resid   37 and name   HA) (segid "   D" and resid   37 and name HD21)
    or (segid "   D" and resid   37 and name   HA) (segid "   D" and resid   37 and name HD23)
assign (segid "   D" and resid   35 and name HD12) (segid "   D" and resid   48 and name  HG1) 3.217 1.293 2.783 weight 1.000 ! spec=13CN...13AB, no=547, id=408, vol=5.113913e+05
    or (segid "   D" and resid   35 and name HD11) (segid "   D" and resid   48 and name  HG1)
    or (segid "   D" and resid   35 and name HD13) (segid "   D" and resid   48 and name  HG1)
assign (segid "   D" and resid   35 and name HD12) (segid "   D" and resid   30 and name  HB2) 2.705 0.915 0.915 weight 1.000 ! spec=13CN...13AB, no=548, id=409, vol=6.297113e+05
    or (segid "   D" and resid   35 and name HD11) (segid "   D" and resid   30 and name  HB2)
    or (segid "   D" and resid   35 and name HD13) (segid "   D" and resid   30 and name  HB2)
assign (segid "   D" and resid   35 and name HD12) (segid "   D" and resid   32 and name   HA) 2.650 0.878 0.878 weight 1.000 ! spec=13CN...13AB, no=549, id=410, vol=5.335094e+05
    or (segid "   D" and resid   35 and name HD11) (segid "   D" and resid   32 and name   HA)
    or (segid "   D" and resid   35 and name HD13) (segid "   D" and resid   32 and name   HA)
assign (segid "   D" and resid   35 and name HD22) (segid "   D" and resid   35 and name  HB1) 2.027 0.514 0.514 weight 1.000 ! spec=13CN...13AB, no=551, id=411, vol=2.168098e+06
    or (segid "   D" and resid   35 and name HD21) (segid "   D" and resid   35 and name  HB1)
    or (segid "   D" and resid   35 and name HD23) (segid "   D" and resid   35 and name  HB1)
assign (segid "   D" and resid   35 and name HD22) (segid "   D" and resid   48 and name  HG1) 2.586 0.836 0.836 weight 1.000 ! spec=13CN...13AB, no=552, id=412, vol=6.464676e+05
    or (segid "   D" and resid   35 and name HD21) (segid "   D" and resid   48 and name  HG1)
    or (segid "   D" and resid   35 and name HD23) (segid "   D" and resid   48 and name  HG1)
assign (segid "   D" and resid   35 and name   HA) (segid "   D" and resid   35 and name HD22) 2.350 0.690 0.690 weight 1.000 ! spec=13CN...13AB, no=553, id=413, vol=1.593223e+06
    or (segid "   D" and resid   35 and name   HA) (segid "   D" and resid   35 and name HD21)
    or (segid "   D" and resid   35 and name   HA) (segid "   D" and resid   35 and name HD23)
assign (segid "   D" and resid   34 and name  HB1) (segid "   D" and resid   34 and name   HA) 2.995 1.121 1.121 weight 1.000 ! spec=13CN...13AB, no=554, id=414, vol=5.069198e+05
assign (segid "   D" and resid   34 and name  HB2) (segid "   D" and resid   34 and name   HA) 3.131 1.225 1.225 weight 1.000 ! spec=13CN...13AB, no=555, id=415, vol=5.112963e+05
assign (segid "   D" and resid   67 and name   HA) (segid "   D" and resid   67 and name  HB2) 3.500 1.531 1.531 weight 1.000 ! spec=13CN...13AB, no=560, id=419, vol=4.348852e+05
assign (segid "   D" and resid   67 and name   HA) (segid "   D" and resid   67 and name  HB1) 2.756 0.949 0.949 weight 1.000 ! spec=13CN...13AB, no=561, id=420, vol=5.528643e+05
assign (segid "   D" and resid   49 and name  HB1) (segid "   D" and resid   67 and name   HA) 3.527 1.555 2.473 weight 1.000 ! spec=13CN...13AB, no=562, id=421, vol=7.220273e+05
assign (segid "   D" and resid   48 and name   HA) (segid "   D" and resid   48 and name  HB2) 3.003 1.127 1.127 weight 1.000 ! spec=13CN...13AB, no=564, id=422, vol=9.247313e+05
assign (segid "   D" and resid   48 and name  HB1) (segid "   D" and resid   48 and name  HD2) 3.953 1.953 1.953 weight 1.000 ! spec=13CN...13AB, no=566, id=424, vol=3.408882e+05
assign (segid "   D" and resid   67 and name  HG1) (segid "   D" and resid   67 and name   HA) 3.172 1.258 1.258 weight 1.000 ! spec=13CN...13AB, no=568, id=425, vol=4.523135e+05
assign (segid "   D" and resid   67 and name  HG1) (segid "   D" and resid   67 and name  HD2) 3.328 1.384 1.384 weight 1.000 ! spec=13CN...13AB, no=570, id=426, vol=5.710443e+05
assign (segid "   D" and resid   41 and name   HA) (segid "   D" and resid   41 and name  HB2) 2.528 0.799 0.799 weight 1.000 ! spec=13CN...13AB, no=578, id=428, vol=1.629162e+06
assign (segid "   D" and resid   41 and name   HA) (segid "   D" and resid   41 and name  HG2) 3.887 1.888 1.888 weight 1.000 ! spec=13CN...13AB, no=579, id=429, vol=3.078172e+05
assign (segid "   D" and resid   41 and name  HD1) (segid "   D" and resid   41 and name  HB2) 3.525 1.553 1.553 weight 1.000 ! spec=13CN...13AB, no=582, id=430, vol=6.893233e+05
assign (segid "   D" and resid   41 and name  HD2) (segid "   D" and resid   41 and name  HB2) 3.657 1.672 1.672 weight 1.000 ! spec=13CN...13AB, no=583, id=431, vol=6.097064e+05
assign (segid "   D" and resid   41 and name  HD2) (segid "   D" and resid   41 and name  HB1) 3.663 1.677 1.677 weight 1.000 ! spec=13CN...13AB, no=584, id=432, vol=4.981886e+05
assign (segid "   D" and resid   41 and name  HD2) (segid "   D" and resid   41 and name  HG1) 2.976 1.107 1.107 weight 1.000 ! spec=13CN...13AB, no=585, id=433, vol=6.491355e+05
assign (segid "   D" and resid   41 and name  HD2) (segid "   D" and resid   41 and name  HG2) 2.780 0.966 0.966 weight 1.000 ! spec=13CN...13AB, no=586, id=434, vol=4.100478e+05
assign (segid "   D" and resid   41 and name  HD1) (segid "   D" and resid   41 and name  HG2) 3.611 1.630 1.630 weight 1.000 ! spec=13CN...13AB, no=587, id=435, vol=3.798836e+05
assign (segid "   D" and resid   41 and name  HD1) (segid "   D" and resid   41 and name  HG1) 2.780 0.966 0.966 weight 1.000 ! spec=13CN...13AB, no=588, id=436, vol=4.195059e+05
assign (segid "   D" and resid   67 and name  HG2) (segid "   D" and resid   67 and name  HD1) 3.186 1.268 1.268 weight 1.000 ! spec=13CN...13AB, no=592, id=437, vol=3.619737e+05
assign (segid "   D" and resid   67 and name  HG2) (segid "   D" and resid   67 and name   HA) 4.266 2.275 2.275 weight 1.000 ! spec=13CN...13AB, no=593, id=438, vol=2.829250e+05
assign (segid "   D" and resid   67 and name  HD2) (segid "   D" and resid   67 and name  HD1) 2.073 0.537 0.537 weight 1.000 ! spec=13CN...13AB, no=595, id=439, vol=1.172243e+06
assign (segid "   D" and resid   67 and name  HG1) (segid "   D" and resid   67 and name  HD1) 2.774 0.962 0.962 weight 1.000 ! spec=13CN...13AB, no=598, id=441, vol=3.901071e+05
assign (segid "   D" and resid   67 and name  HD2) (segid "   D" and resid   67 and name  HG2) 2.929 1.072 1.072 weight 1.000 ! spec=13CN...13AB, no=600, id=443, vol=3.052048e+05
assign (segid "   D" and resid   48 and name   HA) (segid "   D" and resid   48 and name  HB1) 2.444 0.746 0.746 weight 1.000 ! spec=13CN...13AB, no=603, id=444, vol=1.242416e+06
assign (segid "   D" and resid   27 and name  HG1) (segid "   D" and resid   27 and name  HD2) 3.289 1.353 1.353 weight 1.000 ! spec=13CN...13AB, no=612, id=449, vol=5.336452e+05
assign (segid "   D" and resid   27 and name  HG1) (segid "   D" and resid   27 and name  HG2) 2.143 0.574 0.574 weight 1.000 ! spec=13CN...13AB, no=614, id=451, vol=1.082135e+06
assign (segid "   D" and resid   27 and name  HB2) (segid "   D" and resid   27 and name   HA) 3.252 1.322 1.322 weight 1.000 ! spec=13CN...13AB, no=615, id=452, vol=4.378570e+05
assign (segid "   D" and resid   27 and name  HB1) (segid "   D" and resid   27 and name   HA) 2.906 1.056 1.056 weight 1.000 ! spec=13CN...13AB, no=616, id=453, vol=5.007737e+05
assign (segid "   D" and resid   24 and name   HA) (segid "   D" and resid   24 and name  HB2) 2.857 1.020 1.020 weight 1.000 ! spec=13CN...13AB, no=620, id=456, vol=1.340607e+06
assign (segid "   D" and resid   24 and name   HA) (segid "   D" and resid   24 and name  HB1) 2.445 0.747 0.747 weight 1.000 ! spec=13CN...13AB, no=621, id=457, vol=1.144619e+06
assign (segid "   D" and resid   27 and name  HG2) (segid "   D" and resid   27 and name   HA) 4.116 2.117 2.117 weight 1.000 ! spec=13CN...13AB, no=622, id=458, vol=2.713285e+05
assign (segid "   D" and resid   27 and name  HG1) (segid "   D" and resid   27 and name  HB1) 2.817 0.992 0.992 weight 1.000 ! spec=13CN...13AB, no=623, id=459, vol=4.438130e+05
assign (segid "   D" and resid   48 and name  HB2) (segid "   D" and resid   48 and name  HB1) 1.923 0.462 0.462 weight 1.000 ! spec=13CN...13AB, no=625, id=461, vol=2.409770e+06
assign (segid "   D" and resid   94 and name  HB1) (segid "   D" and resid   94 and name   HA) 2.486 0.772 0.772 weight 1.000 ! spec=13CN...13AB, no=631, id=463, vol=2.127970e+06
assign (segid "   D" and resid   91 and name   HA) (segid "   D" and resid   80 and name  HE1) 3.757 1.764 1.764 weight 1.000 ! spec=13CN...13AB, no=643, id=468, vol=3.942897e+05
    or (segid "   D" and resid   91 and name   HA) (segid "   D" and resid   80 and name  HE2)
assign (segid "   D" and resid   91 and name HG21) (segid "   D" and resid   90 and name  HB1) 4.537 2.573 2.573 weight 1.000 ! spec=13CN...13AB, no=644, id=469, vol=2.820212e+05
    or (segid "   D" and resid   91 and name HG22) (segid "   D" and resid   90 and name  HB1)
    or (segid "   D" and resid   91 and name HG23) (segid "   D" and resid   90 and name  HB1)
assign (segid "   D" and resid   45 and name  HD1) (segid "   D" and resid   45 and name   HA) 3.190 1.272 1.272 weight 1.000 ! spec=13CN...13AB, no=655, id=474, vol=3.889607e+05
assign (segid "   D" and resid   49 and name  HH2) (segid "   D" and resid   49 and name  HZ3) 2.886 1.041 1.041 weight 1.000 ! spec=13CN...13AB, no=657, id=476, vol=6.291788e+05
assign (segid "   D" and resid   80 and name  HD1) (segid "   D" and resid   79 and name   HA) 4.029 2.029 2.029 weight 1.000 ! spec=13CN...13AB, no=673, id=492, vol=2.929357e+05
    or (segid "   D" and resid   80 and name  HD2) (segid "   D" and resid   79 and name   HA)
assign (segid "   D" and resid   30 and name  HB2) (segid "   D" and resid   30 and name  HD1) 3.514 1.544 1.544 weight 1.000 ! spec=13CN...13AB, no=686, id=499, vol=3.957358e+05
    or (segid "   D" and resid   30 and name  HB2) (segid "   D" and resid   30 and name  HD2)
assign (segid "   D" and resid   30 and name  HB1) (segid "   D" and resid   30 and name  HD1) 3.623 1.641 1.641 weight 1.000 ! spec=13CN...13AB, no=687, id=500, vol=2.947961e+05
    or (segid "   D" and resid   30 and name  HB1) (segid "   D" and resid   30 and name  HD2)
assign (segid "   D" and resid   31 and name  HD2) (segid "   D" and resid    9 and name  HB2) 3.415 1.457 1.457 weight 1.000 ! spec=13CN...13AB, no=692, id=503, vol=2.508834e+05
assign (segid "   D" and resid   50 and name  HD2) (segid "   D" and resid   50 and name   HA) 4.447 2.472 2.472 weight 1.000 ! spec=13CN...13AB, no=719, id=520, vol=2.075918e+05
assign (segid "   D" and resid   50 and name  HB2) (segid "   D" and resid   51 and name  HG2) 3.098 1.200 1.200 weight 1.000 ! spec=13CN...13AB, no=720, id=521, vol=2.525777e+05
assign (segid "   D" and resid   93 and name  HD2) (segid "   D" and resid   89 and name  HB1) 4.458 2.484 2.484 weight 1.000 ! spec=13CN...13AB, no=727, id=527, vol=3.764554e+05
assign (segid "   D" and resid   13 and name  HA2) (segid "   D" and resid    8 and name  HG2) 3.126 1.221 1.221 weight 1.000 ! spec=13CN...13AB, no=732, id=529, vol=3.480607e+05
assign (segid "   D" and resid   56 and name  HA1) (segid "   D" and resid   51 and name  HB1) 3.870 1.872 1.872 weight 1.000 ! spec=13CN...13AB, no=733, id=530, vol=4.650444e+05
assign (segid "   D" and resid   56 and name  HA2) (segid "   D" and resid   51 and name  HB1) 3.212 1.290 1.290 weight 1.000 ! spec=13CN...13AB, no=734, id=531, vol=2.592981e+05
assign (segid "   D" and resid   66 and name   HA) (segid "   D" and resid   66 and name  HB1) 2.935 1.077 1.077 weight 1.000 ! spec=13CN...13AB, no=742, id=536, vol=5.224572e+05
assign (segid "   D" and resid   80 and name  HB2) (segid "   D" and resid   80 and name   HA) 2.588 0.837 0.837 weight 1.000 ! spec=13CN...13AB, no=744, id=537, vol=1.469622e+06
assign (segid "   D" and resid   14 and name  HB2) (segid "   D" and resid   31 and name  HE1) 2.471 0.763 0.763 weight 1.000 ! spec=13CN...13AB, no=747, id=540, vol=1.093248e+06
assign (segid "   D" and resid   14 and name  HB1) (segid "   D" and resid   31 and name  HE1) 3.318 1.376 1.376 weight 1.000 ! spec=13CN...13AB, no=748, id=541, vol=1.089229e+06
assign (segid "   D" and resid   66 and name  HB1) (segid "   D" and resid   93 and name  HE1) 2.911 1.059 1.059 weight 1.000 ! spec=13CN...13AB, no=751, id=544, vol=3.497495e+05
assign (segid "   D" and resid   49 and name  HZ2) (segid "   D" and resid   64 and name  HG2) 3.544 1.570 1.570 weight 1.000 ! spec=13CN...13AB, no=772, id=554, vol=2.480086e+05
assign (segid "   D" and resid   27 and name  HD1) (segid "   D" and resid   27 and name  HB1) 2.865 1.026 1.026 weight 1.000 ! spec=13CN...13AB, no=795, id=561, vol=9.468094e+05
assign (segid "   D" and resid   89 and name   HA) (segid "   D" and resid   88 and name  HB1) 3.155 1.245 1.245 weight 1.000 ! spec=13CN...13AB, no=818, id=567, vol=4.265812e+05
assign (segid "   D" and resid   89 and name  HB2) (segid "   D" and resid   82 and name  HB2) 3.060 1.170 1.170 weight 1.000 ! spec=13CN...13AB, no=821, id=569, vol=4.310390e+05
assign (segid "   D" and resid   88 and name   HA) (segid "   D" and resid   88 and name  HB1) 2.531 0.801 0.801 weight 1.000 ! spec=13CN...13AB, no=824, id=572, vol=6.154502e+05
assign (segid "   D" and resid   88 and name  HB1) (segid "   D" and resid   64 and name  HG2) 5.524 3.815 3.815 weight 1.000 ! spec=13CN...13AB, no=825, id=573, vol=3.085974e+05
assign (segid "   D" and resid   88 and name   HG) (segid "   D" and resid   88 and name   HA) 2.620 0.858 0.858 weight 1.000 ! spec=13CN...13AB, no=830, id=575, vol=5.824364e+05
assign (segid "   D" and resid   88 and name   HG) (segid "   D" and resid   64 and name  HG1) 3.514 1.544 1.544 weight 1.000 ! spec=13CN...13AB, no=832, id=576, vol=2.975402e+05
assign (segid "   D" and resid   88 and name HD22) (segid "   D" and resid   61 and name  HB2) 2.487 0.773 3.513 weight 1.000 ! spec=13CN...13AB, no=841, id=577, vol=5.656420e+05
    or (segid "   D" and resid   88 and name HD21) (segid "   D" and resid   61 and name  HB2)
    or (segid "   D" and resid   88 and name HD23) (segid "   D" and resid   61 and name  HB2)
assign (segid "   D" and resid   87 and name  HB1) (segid "   D" and resid   87 and name   HA) 2.734 0.935 0.935 weight 1.000 ! spec=13CN...13AB, no=846, id=578, vol=5.114482e+05
assign (segid "   D" and resid    9 and name  HB1) (segid "   D" and resid   31 and name  HE1) 2.887 1.042 1.042 weight 1.000 ! spec=13CN...13AB, no=850, id=580, vol=4.748424e+05
assign (segid "   D" and resid   87 and name  HD1) (segid "   D" and resid   64 and name  HG1) 4.103 2.104 2.104 weight 1.000 ! spec=13CN...13AB, no=863, id=582, vol=2.785814e+05
assign (segid "   D" and resid   18 and name   HA) (segid "   D" and resid   31 and name   HA) 2.884 1.040 1.040 weight 1.000 ! spec=13CN...13AB, no=869, id=583, vol=3.836373e+05
assign (segid "   D" and resid   40 and name  HG1) (segid "   D" and resid   41 and name  HD1) 4.375 2.392 2.392 weight 1.000 ! spec=13CN...13AB, no=888, id=584, vol=3.125877e+05
assign (segid "   D" and resid   88 and name   HA) (segid "   D" and resid   81 and name   HA) 2.311 0.668 0.668 weight 1.000 ! spec=13CN...13AB, no=906, id=585, vol=1.338305e+06
assign (segid "   D" and resid   81 and name HD12) (segid "   D" and resid   86 and name  HA1) 3.647 1.663 1.663 weight 1.000 ! spec=13CN...13AB, no=916, id=587, vol=2.937902e+05
    or (segid "   D" and resid   81 and name HD11) (segid "   D" and resid   86 and name  HA1)
    or (segid "   D" and resid   81 and name HD13) (segid "   D" and resid   86 and name  HA1)
assign (segid "   D" and resid   80 and name  HD1) (segid "   D" and resid   82 and name   HA) 3.755 1.763 1.763 weight 1.000 ! spec=13CN...13AB, no=921, id=589, vol=2.727084e+05
    or (segid "   D" and resid   80 and name  HD2) (segid "   D" and resid   82 and name   HA)
assign (segid "   D" and resid   90 and name   HA) (segid "   D" and resid   79 and name   HA) 2.525 0.797 0.797 weight 1.000 ! spec=13CN...13AB, no=927, id=590, vol=8.637422e+05
assign (segid "   D" and resid   79 and name   HA) (segid "   D" and resid   79 and name  HB1) 3.038 1.154 1.154 weight 1.000 ! spec=13CN...13AB, no=928, id=591, vol=5.846315e+05
assign (segid "   D" and resid   79 and name   HA) (segid "   D" and resid   79 and name  HB2) 2.947 1.085 1.085 weight 1.000 ! spec=13CN...13AB, no=931, id=593, vol=3.337708e+05
assign (segid "   D" and resid   75 and name  HG2) (segid "   D" and resid   75 and name  HD1) 2.628 0.863 0.863 weight 1.000 ! spec=13CN...13AB, no=934, id=595, vol=4.951101e+05
assign (segid "   D" and resid   90 and name   HA) (segid "   D" and resid   79 and name HD12) 2.251 0.633 0.633 weight 1.000 ! spec=13CN...13AB, no=939, id=596, vol=1.439984e+06
    or (segid "   D" and resid   90 and name   HA) (segid "   D" and resid   79 and name HD11)
    or (segid "   D" and resid   90 and name   HA) (segid "   D" and resid   79 and name HD13)
assign (segid "   D" and resid   79 and name HD22) (segid "   D" and resid   79 and name   HA) 3.790 1.795 1.795 weight 1.000 ! spec=13CN...13AB, no=940, id=597, vol=3.110838e+05
    or (segid "   D" and resid   79 and name HD21) (segid "   D" and resid   79 and name   HA)
    or (segid "   D" and resid   79 and name HD23) (segid "   D" and resid   79 and name   HA)
assign (segid "   D" and resid   79 and name HD22) (segid "   D" and resid   63 and name   HA) 2.793 0.975 0.975 weight 1.000 ! spec=13CN...13AB, no=943, id=598, vol=4.891869e+05
    or (segid "   D" and resid   79 and name HD21) (segid "   D" and resid   63 and name   HA)
    or (segid "   D" and resid   79 and name HD23) (segid "   D" and resid   63 and name   HA)
assign (segid "   D" and resid   79 and name HD22) (segid "   D" and resid   88 and name  HB1) 2.628 0.863 0.863 weight 1.000 ! spec=13CN...13AB, no=944, id=599, vol=3.686938e+05
    or (segid "   D" and resid   79 and name HD21) (segid "   D" and resid   88 and name  HB1)
    or (segid "   D" and resid   79 and name HD23) (segid "   D" and resid   88 and name  HB1)
assign (segid "   D" and resid   79 and name HD22) (segid "   D" and resid   75 and name  HB2) 3.709 1.719 1.719 weight 1.000 ! spec=13CN...13AB, no=945, id=600, vol=6.365212e+05
    or (segid "   D" and resid   79 and name HD21) (segid "   D" and resid   75 and name  HB2)
    or (segid "   D" and resid   79 and name HD23) (segid "   D" and resid   75 and name  HB2)
assign (segid "   D" and resid   89 and name   HA) (segid "   D" and resid   79 and name HD12) 2.981 1.111 1.111 weight 1.000 ! spec=13CN...13AB, no=949, id=601, vol=4.706862e+05
    or (segid "   D" and resid   89 and name   HA) (segid "   D" and resid   79 and name HD11)
    or (segid "   D" and resid   89 and name   HA) (segid "   D" and resid   79 and name HD13)
assign (segid "   D" and resid   79 and name HD12) (segid "   D" and resid   70 and name  HD1) 3.729 1.738 1.738 weight 1.000 ! spec=13CN...13AB, no=951, id=602, vol=2.888800e+05
    or (segid "   D" and resid   79 and name HD12) (segid "   D" and resid   70 and name  HD2)
    or (segid "   D" and resid   79 and name HD11) (segid "   D" and resid   70 and name  HD1)
    or (segid "   D" and resid   79 and name HD11) (segid "   D" and resid   70 and name  HD2)
    or (segid "   D" and resid   79 and name HD13) (segid "   D" and resid   70 and name  HD1)
    or (segid "   D" and resid   79 and name HD13) (segid "   D" and resid   70 and name  HD2)
assign (segid "   D" and resid   78 and name   HA) (segid "   D" and resid   77 and name  HA2) 3.554 1.579 1.579 weight 1.000 ! spec=13CN...13AB, no=954, id=603, vol=3.021010e+05
assign (segid "   D" and resid   78 and name   HA) (segid "   D" and resid   91 and name HG21) 2.836 1.006 1.006 weight 1.000 ! spec=13CN...13AB, no=957, id=604, vol=5.079483e+05
    or (segid "   D" and resid   78 and name   HA) (segid "   D" and resid   91 and name HG22)
    or (segid "   D" and resid   78 and name   HA) (segid "   D" and resid   91 and name HG23)
assign (segid "   D" and resid   78 and name  HB2) (segid "   D" and resid   78 and name   HA) 3.698 1.709 1.709 weight 1.000 ! spec=13CN...13AB, no=965, id=607, vol=2.625136e+05
assign (segid "   D" and resid   77 and name  HA1) (segid "   D" and resid   76 and name  HB1) 3.409 1.453 1.453 weight 1.000 ! spec=13CN...13AB, no=971, id=609, vol=2.951386e+05
assign (segid "   D" and resid   76 and name   HA) (segid "   D" and resid   75 and name  HG1) 3.040 1.155 1.155 weight 1.000 ! spec=13CN...13AB, no=974, id=610, vol=3.309296e+05
assign (segid "   D" and resid   75 and name   HA) (segid "   D" and resid   78 and name  HB2) 2.851 1.016 1.016 weight 1.000 ! spec=13CN...13AB, no=989, id=612, vol=3.180149e+05
assign (segid "   D" and resid   75 and name   HA) (segid "   D" and resid   75 and name  HG1) 3.447 1.485 1.485 weight 1.000 ! spec=13CN...13AB, no=993, id=613, vol=4.203846e+05
assign (segid "   D" and resid   75 and name   HA) (segid "   D" and resid   75 and name  HG2) 3.301 1.362 1.362 weight 1.000 ! spec=13CN...13AB, no=994, id=614, vol=6.128071e+05
assign (segid "   D" and resid   75 and name  HG2) (segid "   D" and resid   76 and name   HA) 3.990 1.990 1.990 weight 1.000 ! spec=13CN...13AB, no=995, id=615, vol=2.556922e+05
assign (segid "   D" and resid   75 and name  HD2) (segid "   D" and resid   75 and name  HD1) 1.637 0.335 0.335 weight 1.000 ! spec=13CN...13AB, no=1009, id=617, vol=2.838482e+06
assign (segid "   D" and resid   75 and name  HD2) (segid "   D" and resid   60 and name  HB2) 3.622 1.640 1.640 weight 1.000 ! spec=13CN...13AB, no=1014, id=620, vol=4.258282e+05
    or (segid "   D" and resid   75 and name  HD2) (segid "   D" and resid   60 and name  HB1)
    or (segid "   D" and resid   75 and name  HD2) (segid "   D" and resid   60 and name  HB3)
assign (segid "   D" and resid   26 and name   HA) (segid "   D" and resid   26 and name  HB1) 3.142 1.234 1.234 weight 1.000 ! spec=13CN...13AB, no=1015, id=621, vol=3.865707e+05
assign (segid "   D" and resid   73 and name   HA) (segid "   D" and resid   74 and name   HA) 3.484 1.517 1.517 weight 1.000 ! spec=13CN...13AB, no=1029, id=624, vol=3.285818e+05
assign (segid "   D" and resid   52 and name  HB1) (segid "   D" and resid   52 and name  HB2) 1.875 0.439 0.439 weight 1.000 ! spec=13CN...13AB, no=1039, id=625, vol=1.690221e+06
assign (segid "   D" and resid   21 and name  HB1) (segid "   D" and resid   21 and name  HB2) 2.150 0.578 0.578 weight 1.000 ! spec=13CN...13AB, no=1040, id=626, vol=9.856599e+05
assign (segid "   D" and resid   70 and name  HB1) (segid "   D" and resid   70 and name   HA) 2.807 0.985 0.985 weight 1.000 ! spec=13CN...13AB, no=1043, id=627, vol=4.270036e+05
assign (segid "   D" and resid   52 and name   HA) (segid "   D" and resid   70 and name   HA) 2.434 0.741 0.741 weight 1.000 ! spec=13CN...13AB, no=1045, id=628, vol=1.128189e+06
assign (segid "   D" and resid   70 and name  HB1) (segid "   D" and resid   75 and name  HB1) 3.494 1.526 1.526 weight 1.000 ! spec=13CN...13AB, no=1047, id=629, vol=4.588111e+05
assign (segid "   D" and resid   70 and name  HB1) (segid "   D" and resid   79 and name HD22) 4.617 2.665 2.665 weight 1.000 ! spec=13CN...13AB, no=1048, id=630, vol=2.389114e+05
    or (segid "   D" and resid   70 and name  HB1) (segid "   D" and resid   79 and name HD21)
    or (segid "   D" and resid   70 and name  HB1) (segid "   D" and resid   79 and name HD23)
assign (segid "   D" and resid   69 and name   HA) (segid "   D" and resid   62 and name  HD1) 4.630 2.680 2.680 weight 1.000 ! spec=13CN...13AB, no=1049, id=631, vol=2.294445e+05
    or (segid "   D" and resid   69 and name   HA) (segid "   D" and resid   62 and name  HD2)
assign (segid "   D" and resid   69 and name  HB1) (segid "   D" and resid   69 and name   HA) 2.581 0.833 0.833 weight 1.000 ! spec=13CN...13AB, no=1051, id=632, vol=9.232930e+05
assign (segid "   D" and resid   69 and name  HB2) (segid "   D" and resid   62 and name  HB1) 3.920 1.920 1.920 weight 1.000 ! spec=13CN...13AB, no=1054, id=634, vol=2.528283e+05
assign (segid "   D" and resid   69 and name  HB1) (segid "   D" and resid   62 and name  HE1) 4.212 2.217 2.217 weight 1.000 ! spec=13CN...13AB, no=1057, id=637, vol=2.066119e+05
    or (segid "   D" and resid   69 and name  HB1) (segid "   D" and resid   62 and name  HE2)
assign (segid "   D" and resid   68 and name  HB2) (segid "   D" and resid   90 and name  HB2) 3.346 1.400 1.400 weight 1.000 ! spec=13CN...13AB, no=1068, id=641, vol=3.896460e+05
assign (segid "   D" and resid   68 and name  HB2) (segid "   D" and resid   70 and name   HZ) 3.831 1.834 1.834 weight 1.000 ! spec=13CN...13AB, no=1072, id=642, vol=3.616602e+05
assign (segid "   D" and resid   68 and name  HB2) (segid "   D" and resid   70 and name  HE1) 4.387 2.405 2.405 weight 1.000 ! spec=13CN...13AB, no=1073, id=643, vol=2.714050e+05
    or (segid "   D" and resid   68 and name  HB2) (segid "   D" and resid   70 and name  HE2)
assign (segid "   D" and resid   51 and name  HG1) (segid "   D" and resid   50 and name  HB2) 4.322 2.335 2.335 weight 1.000 ! spec=13CN...13AB, no=1090, id=646, vol=2.745208e+05
assign (segid "   D" and resid   65 and name  HG1) (segid "   D" and resid   65 and name   HA) 3.311 1.371 1.371 weight 1.000 ! spec=13CN...13AB, no=1091, id=647, vol=5.757119e+05
assign (segid "   D" and resid   31 and name   HA) (segid "   D" and resid   32 and name  HB2) 3.822 1.826 1.826 weight 1.000 ! spec=13CN...13AB, no=1099, id=649, vol=5.144203e+05
    or (segid "   D" and resid   31 and name   HA) (segid "   D" and resid   32 and name  HB1)
    or (segid "   D" and resid   31 and name   HA) (segid "   D" and resid   32 and name  HB3)
assign (segid "   D" and resid   31 and name   HA) (segid "   D" and resid   19 and name HG12) 2.949 1.087 1.087 weight 1.000 ! spec=13CN...13AB, no=1101, id=650, vol=5.605305e+05
    or (segid "   D" and resid   31 and name   HA) (segid "   D" and resid   19 and name HG11)
    or (segid "   D" and resid   31 and name   HA) (segid "   D" and resid   19 and name HG13)
assign (segid "   D" and resid   64 and name  HG2) (segid "   D" and resid   88 and name  HB2) 4.128 2.130 2.130 weight 1.000 ! spec=13CN...13AB, no=1110, id=657, vol=4.389092e+05
assign (segid "   D" and resid   64 and name   HA) (segid "   D" and resid   64 and name  HG2) 2.821 0.995 0.995 weight 1.000 ! spec=13CN...13AB, no=1113, id=658, vol=5.650023e+05
assign (segid "   D" and resid   64 and name  HG2) (segid "   D" and resid   63 and name   HA) 4.853 2.945 2.945 weight 1.000 ! spec=13CN...13AB, no=1116, id=659, vol=2.471051e+05
assign (segid "   D" and resid   64 and name  HG1) (segid "   D" and resid   63 and name   HA) 4.089 2.090 2.090 weight 1.000 ! spec=13CN...13AB, no=1117, id=660, vol=2.480896e+05
assign (segid "   D" and resid   62 and name   HA) (segid "   D" and resid   62 and name  HB1) 2.667 0.889 0.889 weight 1.000 ! spec=13CN...13AB, no=1128, id=666, vol=5.738709e+05
assign (segid "   D" and resid   62 and name   HA) (segid "   D" and resid   62 and name  HB2) 3.303 1.364 1.364 weight 1.000 ! spec=13CN...13AB, no=1129, id=667, vol=5.460688e+05
assign (segid "   D" and resid   62 and name  HD1) (segid "   D" and resid   61 and name   HA) 3.659 1.674 1.674 weight 1.000 ! spec=13CN...13AB, no=1144, id=669, vol=4.362964e+05
    or (segid "   D" and resid   62 and name  HD2) (segid "   D" and resid   61 and name   HA)
assign (segid "   D" and resid   75 and name  HD1) (segid "   D" and resid   60 and name  HB2) 2.655 0.881 0.881 weight 1.000 ! spec=13CN...13AB, no=1150, id=673, vol=5.240487e+05
    or (segid "   D" and resid   75 and name  HD1) (segid "   D" and resid   60 and name  HB1)
    or (segid "   D" and resid   75 and name  HD1) (segid "   D" and resid   60 and name  HB3)
assign (segid "   D" and resid   60 and name  HB2) (segid "   D" and resid   72 and name   HA) 2.875 1.034 1.034 weight 1.000 ! spec=13CN...13AB, no=1154, id=676, vol=7.308391e+05
    or (segid "   D" and resid   60 and name  HB1) (segid "   D" and resid   72 and name   HA)
    or (segid "   D" and resid   60 and name  HB3) (segid "   D" and resid   72 and name   HA)
assign (segid "   D" and resid   60 and name  HB2) (segid "   D" and resid   59 and name   HA) 3.856 1.859 1.859 weight 1.000 ! spec=13CN...13AB, no=1155, id=677, vol=3.368482e+05
    or (segid "   D" and resid   60 and name  HB1) (segid "   D" and resid   59 and name   HA)
    or (segid "   D" and resid   60 and name  HB3) (segid "   D" and resid   59 and name   HA)
assign (segid "   D" and resid   60 and name  HB2) (segid "   D" and resid   71 and name   HA) 2.890 1.044 1.044 weight 1.000 ! spec=13CN...13AB, no=1156, id=678, vol=8.091885e+05
    or (segid "   D" and resid   60 and name  HB1) (segid "   D" and resid   71 and name   HA)
    or (segid "   D" and resid   60 and name  HB3) (segid "   D" and resid   71 and name   HA)
assign (segid "   D" and resid   59 and name   HA) (segid "   D" and resid   71 and name  HB2) 3.657 1.671 1.671 weight 1.000 ! spec=13CN...13AB, no=1158, id=679, vol=4.668184e+05
assign (segid "   D" and resid   59 and name   HA) (segid "   D" and resid   71 and name   HA) 2.191 0.600 0.600 weight 1.000 ! spec=13CN...13AB, no=1159, id=680, vol=1.443325e+06
assign (segid "   D" and resid   62 and name  HE1) (segid "   D" and resid   59 and name  HB2) 2.580 0.832 0.832 weight 1.000 ! spec=13CN...13AB, no=1160, id=681, vol=1.295889e+06
    or (segid "   D" and resid   62 and name  HE1) (segid "   D" and resid   59 and name  HB1)
    or (segid "   D" and resid   62 and name  HE1) (segid "   D" and resid   59 and name  HB3)
    or (segid "   D" and resid   62 and name  HE2) (segid "   D" and resid   59 and name  HB2)
    or (segid "   D" and resid   62 and name  HE2) (segid "   D" and resid   59 and name  HB1)
    or (segid "   D" and resid   62 and name  HE2) (segid "   D" and resid   59 and name  HB3)
assign (segid "   D" and resid   62 and name  HD1) (segid "   D" and resid   59 and name  HB2) 3.485 1.518 1.518 weight 1.000 ! spec=13CN...13AB, no=1161, id=682, vol=4.172844e+05
    or (segid "   D" and resid   62 and name  HD1) (segid "   D" and resid   59 and name  HB1)
    or (segid "   D" and resid   62 and name  HD1) (segid "   D" and resid   59 and name  HB3)
    or (segid "   D" and resid   62 and name  HD2) (segid "   D" and resid   59 and name  HB2)
    or (segid "   D" and resid   62 and name  HD2) (segid "   D" and resid   59 and name  HB1)
    or (segid "   D" and resid   62 and name  HD2) (segid "   D" and resid   59 and name  HB3)
assign (segid "   D" and resid   59 and name  HB2) (segid "   D" and resid   70 and name   HA) 3.392 1.438 1.438 weight 1.000 ! spec=13CN...13AB, no=1162, id=683, vol=2.532758e+05
    or (segid "   D" and resid   59 and name  HB1) (segid "   D" and resid   70 and name   HA)
    or (segid "   D" and resid   59 and name  HB3) (segid "   D" and resid   70 and name   HA)
assign (segid "   D" and resid   50 and name   HA) (segid "   D" and resid   59 and name  HB2) 2.396 0.718 0.718 weight 1.000 ! spec=13CN...13AB, no=1166, id=684, vol=1.374820e+06
    or (segid "   D" and resid   50 and name   HA) (segid "   D" and resid   59 and name  HB1)
    or (segid "   D" and resid   50 and name   HA) (segid "   D" and resid   59 and name  HB3)
assign (segid "   D" and resid   69 and name  HB2) (segid "   D" and resid   59 and name  HB2) 2.265 0.641 0.641 weight 1.000 ! spec=13CN...13AB, no=1167, id=685, vol=8.972073e+05
    or (segid "   D" and resid   69 and name  HB2) (segid "   D" and resid   59 and name  HB1)
    or (segid "   D" and resid   69 and name  HB2) (segid "   D" and resid   59 and name  HB3)
assign (segid "   D" and resid   59 and name  HB2) (segid "   D" and resid   52 and name   HA) 2.640 0.871 0.871 weight 1.000 ! spec=13CN...13AB, no=1169, id=686, vol=6.307845e+05
    or (segid "   D" and resid   59 and name  HB1) (segid "   D" and resid   52 and name   HA)
    or (segid "   D" and resid   59 and name  HB3) (segid "   D" and resid   52 and name   HA)
assign (segid "   D" and resid   59 and name  HB2) (segid "   D" and resid   60 and name  HB2) 3.559 1.583 1.583 weight 1.000 ! spec=13CN...13AB, no=1173, id=689, vol=3.650706e+05
    or (segid "   D" and resid   59 and name  HB2) (segid "   D" and resid   60 and name  HB1)
    or (segid "   D" and resid   59 and name  HB2) (segid "   D" and resid   60 and name  HB3)
    or (segid "   D" and resid   59 and name  HB1) (segid "   D" and resid   60 and name  HB2)
    or (segid "   D" and resid   59 and name  HB1) (segid "   D" and resid   60 and name  HB1)
    or (segid "   D" and resid   59 and name  HB1) (segid "   D" and resid   60 and name  HB3)
    or (segid "   D" and resid   59 and name  HB3) (segid "   D" and resid   60 and name  HB2)
    or (segid "   D" and resid   59 and name  HB3) (segid "   D" and resid   60 and name  HB1)
    or (segid "   D" and resid   59 and name  HB3) (segid "   D" and resid   60 and name  HB3)
assign (segid "   D" and resid   59 and name  HB2) (segid "   D" and resid   50 and name  HB1) 3.530 1.558 1.558 weight 1.000 ! spec=13CN...13AB, no=1175, id=690, vol=3.026227e+05
    or (segid "   D" and resid   59 and name  HB1) (segid "   D" and resid   50 and name  HB1)
    or (segid "   D" and resid   59 and name  HB3) (segid "   D" and resid   50 and name  HB1)
assign (segid "   D" and resid    9 and name   HA) (segid "   D" and resid   30 and name   HA) 2.462 0.758 0.758 weight 1.000 ! spec=13CN...13AB, no=1179, id=692, vol=9.912785e+05
assign (segid "   D" and resid   58 and name   HA) (segid "   D" and resid   59 and name  HB2) 4.090 2.091 2.091 weight 1.000 ! spec=13CN...13AB, no=1181, id=693, vol=3.839485e+05
    or (segid "   D" and resid   58 and name   HA) (segid "   D" and resid   59 and name  HB1)
    or (segid "   D" and resid   58 and name   HA) (segid "   D" and resid   59 and name  HB3)
assign (segid "   D" and resid   55 and name   HA) (segid "   D" and resid   54 and name HG12) 3.100 1.201 1.201 weight 1.000 ! spec=13CN...13AB, no=1188, id=694, vol=5.460302e+05
    or (segid "   D" and resid   55 and name   HA) (segid "   D" and resid   54 and name HG11)
    or (segid "   D" and resid   55 and name   HA) (segid "   D" and resid   54 and name HG13)
assign (segid "   D" and resid   55 and name  HB1) (segid "   D" and resid   55 and name  HB2) 1.977 0.489 0.489 weight 1.000 ! spec=13CN...13AB, no=1195, id=699, vol=1.490644e+06
assign (segid "   D" and resid   54 and name   HB) (segid "   D" and resid   74 and name  HB2) 3.008 1.131 1.131 weight 1.000 ! spec=13CN...13AB, no=1201, id=703, vol=3.496693e+05
assign (segid "   D" and resid   29 and name HG12) (segid "   D" and resid   18 and name HD22) 2.303 0.663 0.663 weight 1.000 ! spec=13CN...13AB, no=1202, id=704, vol=5.846342e+05
    or (segid "   D" and resid   29 and name HG12) (segid "   D" and resid   18 and name HD21)
    or (segid "   D" and resid   29 and name HG12) (segid "   D" and resid   18 and name HD23)
    or (segid "   D" and resid   29 and name HG11) (segid "   D" and resid   18 and name HD22)
    or (segid "   D" and resid   29 and name HG11) (segid "   D" and resid   18 and name HD21)
    or (segid "   D" and resid   29 and name HG11) (segid "   D" and resid   18 and name HD23)
    or (segid "   D" and resid   29 and name HG13) (segid "   D" and resid   18 and name HD22)
    or (segid "   D" and resid   29 and name HG13) (segid "   D" and resid   18 and name HD21)
    or (segid "   D" and resid   29 and name HG13) (segid "   D" and resid   18 and name HD23)
assign (segid "   D" and resid   54 and name HG12) (segid "   D" and resid   74 and name  HB2) 3.817 1.821 1.821 weight 1.000 ! spec=13CN...13AB, no=1204, id=705, vol=2.730508e+05
    or (segid "   D" and resid   54 and name HG11) (segid "   D" and resid   74 and name  HB2)
    or (segid "   D" and resid   54 and name HG13) (segid "   D" and resid   74 and name  HB2)
assign (segid "   D" and resid   55 and name  HB2) (segid "   D" and resid   54 and name HG12) 4.131 2.133 2.133 weight 1.000 ! spec=13CN...13AB, no=1205, id=706, vol=3.562703e+05
    or (segid "   D" and resid   55 and name  HB2) (segid "   D" and resid   54 and name HG11)
    or (segid "   D" and resid   55 and name  HB2) (segid "   D" and resid   54 and name HG13)
assign (segid "   D" and resid   54 and name HG12) (segid "   D" and resid   74 and name  HB1) 3.356 1.408 1.408 weight 1.000 ! spec=13CN...13AB, no=1206, id=707, vol=2.330139e+05
    or (segid "   D" and resid   54 and name HG11) (segid "   D" and resid   74 and name  HB1)
    or (segid "   D" and resid   54 and name HG13) (segid "   D" and resid   74 and name  HB1)
assign (segid "   D" and resid   54 and name HG22) (segid "   D" and resid   74 and name   HA) 3.982 1.982 1.982 weight 1.000 ! spec=13CN...13AB, no=1210, id=711, vol=3.301991e+05
    or (segid "   D" and resid   54 and name HG21) (segid "   D" and resid   74 and name   HA)
    or (segid "   D" and resid   54 and name HG23) (segid "   D" and resid   74 and name   HA)
assign (segid "   D" and resid   54 and name HG22) (segid "   D" and resid   53 and name  HB1) 2.908 1.057 1.057 weight 1.000 ! spec=13CN...13AB, no=1212, id=713, vol=3.684646e+05
    or (segid "   D" and resid   54 and name HG21) (segid "   D" and resid   53 and name  HB1)
    or (segid "   D" and resid   54 and name HG23) (segid "   D" and resid   53 and name  HB1)
assign (segid "   D" and resid   51 and name  HG2) (segid "   D" and resid   51 and name   HA) 2.432 0.739 0.739 weight 1.000 ! spec=13CN...13AB, no=1229, id=719, vol=1.737878e+06
assign (segid "   D" and resid   51 and name  HG1) (segid "   D" and resid   51 and name   HA) 3.543 1.569 1.569 weight 1.000 ! spec=13CN...13AB, no=1231, id=721, vol=6.590362e+05
assign (segid "   D" and resid   58 and name   HA) (segid "   D" and resid   51 and name   HA) 3.219 1.295 1.295 weight 1.000 ! spec=13CN...13AB, no=1232, id=722, vol=4.196697e+05
assign (segid "   D" and resid   48 and name  HD2) (segid "   D" and resid   35 and name HD22) 2.643 0.873 0.873 weight 1.000 ! spec=13CN...13AB, no=1327, id=727, vol=4.957806e+05
    or (segid "   D" and resid   48 and name  HD2) (segid "   D" and resid   35 and name HD21)
    or (segid "   D" and resid   48 and name  HD2) (segid "   D" and resid   35 and name HD23)
assign (segid "   D" and resid   37 and name HD22) (segid "   D" and resid   37 and name  HB1) 2.603 0.847 0.847 weight 1.000 ! spec=13CN...13AB, no=1346, id=733, vol=1.107698e+06
    or (segid "   D" and resid   37 and name HD21) (segid "   D" and resid   37 and name  HB1)
    or (segid "   D" and resid   37 and name HD23) (segid "   D" and resid   37 and name  HB1)
assign (segid "   D" and resid   37 and name HD12) (segid "   D" and resid   37 and name   HA) 3.401 1.446 1.446 weight 1.000 ! spec=13CN...13AB, no=1348, id=735, vol=5.553979e+05
    or (segid "   D" and resid   37 and name HD11) (segid "   D" and resid   37 and name   HA)
    or (segid "   D" and resid   37 and name HD13) (segid "   D" and resid   37 and name   HA)
assign (segid "   D" and resid   37 and name HD12) (segid "   D" and resid   37 and name   HG) 2.058 0.529 0.529 weight 1.000 ! spec=13CN...13AB, no=1349, id=736, vol=1.387333e+06
    or (segid "   D" and resid   37 and name HD11) (segid "   D" and resid   37 and name   HG)
    or (segid "   D" and resid   37 and name HD13) (segid "   D" and resid   37 and name   HG)
assign (segid "   D" and resid   35 and name HD22) (segid "   D" and resid   30 and name  HB2) 2.849 1.015 1.015 weight 1.000 ! spec=13CN...13AB, no=1350, id=737, vol=5.386549e+05
    or (segid "   D" and resid   35 and name HD21) (segid "   D" and resid   30 and name  HB2)
    or (segid "   D" and resid   35 and name HD23) (segid "   D" and resid   30 and name  HB2)
assign (segid "   D" and resid   35 and name HD22) (segid "   D" and resid   45 and name  HZ2) 2.955 1.092 1.092 weight 1.000 ! spec=13CN...13AB, no=1351, id=738, vol=5.292554e+05
    or (segid "   D" and resid   35 and name HD21) (segid "   D" and resid   45 and name  HZ2)
    or (segid "   D" and resid   35 and name HD23) (segid "   D" and resid   45 and name  HZ2)
assign (segid "   D" and resid   36 and name  HB1) (segid "   D" and resid   36 and name  HB2) 1.738 0.377 0.377 weight 1.000 ! spec=13CN...13AB, no=1353, id=740, vol=5.348443e+06
assign (segid "   D" and resid   35 and name HD12) (segid "   D" and resid   35 and name  HB1) 2.133 0.568 0.568 weight 1.000 ! spec=13CN...13AB, no=1356, id=742, vol=3.057950e+06
    or (segid "   D" and resid   35 and name HD11) (segid "   D" and resid   35 and name  HB1)
    or (segid "   D" and resid   35 and name HD13) (segid "   D" and resid   35 and name  HB1)
assign (segid "   D" and resid   32 and name  HB2) (segid "   D" and resid   19 and name HG12) 2.170 0.589 0.589 weight 1.000 ! spec=13CN...13AB, no=1363, id=747, vol=1.733078e+06
    or (segid "   D" and resid   32 and name  HB2) (segid "   D" and resid   19 and name HG11)
    or (segid "   D" and resid   32 and name  HB2) (segid "   D" and resid   19 and name HG13)
    or (segid "   D" and resid   32 and name  HB1) (segid "   D" and resid   19 and name HG12)
    or (segid "   D" and resid   32 and name  HB1) (segid "   D" and resid   19 and name HG11)
    or (segid "   D" and resid   32 and name  HB1) (segid "   D" and resid   19 and name HG13)
    or (segid "   D" and resid   32 and name  HB3) (segid "   D" and resid   19 and name HG12)
    or (segid "   D" and resid   32 and name  HB3) (segid "   D" and resid   19 and name HG11)
    or (segid "   D" and resid   32 and name  HB3) (segid "   D" and resid   19 and name HG13)
assign (segid "   D" and resid   31 and name   HA) (segid "   D" and resid   31 and name  HB2) 3.113 1.211 1.211 weight 1.000 ! spec=13CN...13AB, no=1368, id=750, vol=6.679586e+05
assign (segid "   D" and resid    9 and name  HB2) (segid "   D" and resid   30 and name   HA) 2.852 1.017 1.017 weight 1.000 ! spec=13CN...13AB, no=1371, id=753, vol=4.309258e+05
assign (segid "   D" and resid   29 and name   HA) (segid "   D" and resid   20 and name   HA) 2.529 0.799 0.799 weight 1.000 ! spec=13CN...13AB, no=1386, id=757, vol=1.029266e+06
assign (segid "   D" and resid   19 and name   HB) (segid "   D" and resid   19 and name HG12) 1.971 0.485 0.485 weight 1.000 ! spec=13CN...13AB, no=1393, id=758, vol=2.571376e+06
    or (segid "   D" and resid   19 and name   HB) (segid "   D" and resid   19 and name HG11)
    or (segid "   D" and resid   19 and name   HB) (segid "   D" and resid   19 and name HG13)
assign (segid "   D" and resid   19 and name HG12) (segid "   D" and resid   30 and name  HB2) 2.694 0.907 3.306 weight 1.000 ! spec=13CN...13AB, no=1394, id=759, vol=7.336772e+05
    or (segid "   D" and resid   19 and name HG11) (segid "   D" and resid   30 and name  HB2)
    or (segid "   D" and resid   19 and name HG13) (segid "   D" and resid   30 and name  HB2)
assign (segid "   D" and resid   32 and name   HA) (segid "   D" and resid   19 and name HG12) 2.434 0.740 0.740 weight 1.000 ! spec=13CN...13AB, no=1395, id=760, vol=7.516931e+05
    or (segid "   D" and resid   32 and name   HA) (segid "   D" and resid   19 and name HG11)
    or (segid "   D" and resid   32 and name   HA) (segid "   D" and resid   19 and name HG13)
assign (segid "   D" and resid   19 and name   HA) (segid "   D" and resid   19 and name HG12) 2.833 1.003 1.003 weight 1.000 ! spec=13CN...13AB, no=1396, id=761, vol=1.125549e+06
    or (segid "   D" and resid   19 and name   HA) (segid "   D" and resid   19 and name HG11)
    or (segid "   D" and resid   19 and name   HA) (segid "   D" and resid   19 and name HG13)
assign (segid "   D" and resid   19 and name HG22) (segid "   D" and resid   45 and name  HE3) 3.192 1.273 1.273 weight 1.000 ! spec=13CN...13AB, no=1404, id=762, vol=2.677848e+05
    or (segid "   D" and resid   19 and name HG21) (segid "   D" and resid   45 and name  HE3)
    or (segid "   D" and resid   19 and name HG23) (segid "   D" and resid   45 and name  HE3)
assign (segid "   D" and resid   18 and name  HB2) (segid "   D" and resid   18 and name  HB1) 1.997 0.498 0.498 weight 1.000 ! spec=13CN...13AB, no=1408, id=763, vol=1.156629e+06
assign (segid "   D" and resid   18 and name  HB1) (segid "   D" and resid   29 and name   HB) 3.442 1.481 1.481 weight 1.000 ! spec=13CN...13AB, no=1410, id=765, vol=2.670439e+05
assign (segid "   D" and resid   18 and name  HB2) (segid "   D" and resid   29 and name   HB) 3.620 1.638 1.638 weight 1.000 ! spec=13CN...13AB, no=1411, id=766, vol=4.072303e+05
assign (segid "   D" and resid   29 and name   HB) (segid "   D" and resid   18 and name HD22) 3.303 1.364 1.364 weight 1.000 ! spec=13CN...13AB, no=1414, id=767, vol=4.653592e+05
    or (segid "   D" and resid   29 and name   HB) (segid "   D" and resid   18 and name HD21)
    or (segid "   D" and resid   29 and name   HB) (segid "   D" and resid   18 and name HD23)
assign (segid "   D" and resid   18 and name HD22) (segid "   D" and resid   29 and name HG22) 3.258 1.327 1.327 weight 1.000 ! spec=13CN...13AB, no=1415, id=768, vol=3.942043e+05
    or (segid "   D" and resid   18 and name HD22) (segid "   D" and resid   29 and name HG21)
    or (segid "   D" and resid   18 and name HD22) (segid "   D" and resid   29 and name HG23)
    or (segid "   D" and resid   18 and name HD21) (segid "   D" and resid   29 and name HG22)
    or (segid "   D" and resid   18 and name HD21) (segid "   D" and resid   29 and name HG21)
    or (segid "   D" and resid   18 and name HD21) (segid "   D" and resid   29 and name HG23)
    or (segid "   D" and resid   18 and name HD23) (segid "   D" and resid   29 and name HG22)
    or (segid "   D" and resid   18 and name HD23) (segid "   D" and resid   29 and name HG21)
    or (segid "   D" and resid   18 and name HD23) (segid "   D" and resid   29 and name HG23)
assign (segid "   D" and resid   18 and name HD22) (segid "   D" and resid    9 and name  HB1) 3.483 1.516 1.516 weight 1.000 ! spec=13CN...13AB, no=1416, id=769, vol=8.242254e+05
    or (segid "   D" and resid   18 and name HD21) (segid "   D" and resid    9 and name  HB1)
    or (segid "   D" and resid   18 and name HD23) (segid "   D" and resid    9 and name  HB1)
assign (segid "   D" and resid   31 and name   HA) (segid "   D" and resid   18 and name HD22) 2.834 1.004 1.004 weight 1.000 ! spec=13CN...13AB, no=1417, id=770, vol=7.316643e+05
    or (segid "   D" and resid   31 and name   HA) (segid "   D" and resid   18 and name HD21)
    or (segid "   D" and resid   31 and name   HA) (segid "   D" and resid   18 and name HD23)
assign (segid "   D" and resid   14 and name   HA) (segid "   D" and resid   31 and name  HE1) 4.078 2.079 2.079 weight 1.000 ! spec=13CN...13AB, no=1425, id=772, vol=3.117639e+05
assign (segid "   D" and resid   14 and name   HA) (segid "   D" and resid   15 and name  HB2) 3.834 1.837 1.837 weight 1.000 ! spec=13CN...13AB, no=1427, id=773, vol=3.853859e+05
    or (segid "   D" and resid   14 and name   HA) (segid "   D" and resid   15 and name  HB1)
    or (segid "   D" and resid   14 and name   HA) (segid "   D" and resid   15 and name  HB3)
assign (segid "   D" and resid   14 and name   HA) (segid "   D" and resid    8 and name  HG1) 3.304 1.365 1.365 weight 1.000 ! spec=13CN...13AB, no=1428, id=774, vol=3.238893e+05
assign (segid "   D" and resid   18 and name   HG) (segid "   D" and resid   15 and name   HA) 2.822 0.995 0.995 weight 1.000 ! spec=13CN...13AB, no=1429, id=775, vol=8.842955e+05
assign (segid "   D" and resid   15 and name   HA) (segid "   D" and resid   18 and name HD22) 2.995 1.121 1.121 weight 1.000 ! spec=13CN...13AB, no=1430, id=776, vol=4.110938e+05
    or (segid "   D" and resid   15 and name   HA) (segid "   D" and resid   18 and name HD21)
    or (segid "   D" and resid   15 and name   HA) (segid "   D" and resid   18 and name HD23)
assign (segid "   D" and resid   15 and name   HA) (segid "   D" and resid    8 and name   HA) 2.417 0.730 0.730 weight 1.000 ! spec=13CN...13AB, no=1432, id=777, vol=1.061696e+06
assign (segid "   D" and resid   15 and name  HB2) (segid "   D" and resid    8 and name   HA) 2.557 0.817 0.817 weight 1.000 ! spec=13CN...13AB, no=1434, id=779, vol=8.508748e+05
    or (segid "   D" and resid   15 and name  HB1) (segid "   D" and resid    8 and name   HA)
    or (segid "   D" and resid   15 and name  HB3) (segid "   D" and resid    8 and name   HA)
assign (segid "   D" and resid   15 and name  HB2) (segid "   D" and resid   16 and name  HA1) 3.830 1.833 1.833 weight 1.000 ! spec=13CN...13AB, no=1435, id=780, vol=2.604832e+05
    or (segid "   D" and resid   15 and name  HB1) (segid "   D" and resid   16 and name  HA1)
    or (segid "   D" and resid   15 and name  HB3) (segid "   D" and resid   16 and name  HA1)
assign (segid "   D" and resid   15 and name  HB2) (segid "   D" and resid   18 and name   HG) 3.167 1.254 1.254 weight 1.000 ! spec=13CN...13AB, no=1438, id=781, vol=7.647957e+05
    or (segid "   D" and resid   15 and name  HB1) (segid "   D" and resid   18 and name   HG)
    or (segid "   D" and resid   15 and name  HB3) (segid "   D" and resid   18 and name   HG)
assign (segid "   D" and resid   15 and name  HB2) (segid "   D" and resid   18 and name HD22) 3.337 1.392 1.392 weight 1.000 ! spec=13CN...13AB, no=1439, id=782, vol=4.654655e+05
    or (segid "   D" and resid   15 and name  HB2) (segid "   D" and resid   18 and name HD21)
    or (segid "   D" and resid   15 and name  HB2) (segid "   D" and resid   18 and name HD23)
    or (segid "   D" and resid   15 and name  HB1) (segid "   D" and resid   18 and name HD22)
    or (segid "   D" and resid   15 and name  HB1) (segid "   D" and resid   18 and name HD21)
    or (segid "   D" and resid   15 and name  HB1) (segid "   D" and resid   18 and name HD23)
    or (segid "   D" and resid   15 and name  HB3) (segid "   D" and resid   18 and name HD22)
    or (segid "   D" and resid   15 and name  HB3) (segid "   D" and resid   18 and name HD21)
    or (segid "   D" and resid   15 and name  HB3) (segid "   D" and resid   18 and name HD23)
assign (segid "   D" and resid   10 and name  HB2) (segid "   D" and resid   10 and name  HD1) 3.785 1.791 1.791 weight 1.000 ! spec=13CN...13AB, no=1444, id=783, vol=2.760235e+05
    or (segid "   D" and resid   10 and name  HB2) (segid "   D" and resid   10 and name  HD2)
assign (segid "   D" and resid   10 and name  HD1) (segid "   D" and resid   10 and name  HB1) 3.682 1.695 1.695 weight 1.000 ! spec=13CN...13AB, no=1445, id=784, vol=3.074946e+05
    or (segid "   D" and resid   10 and name  HD2) (segid "   D" and resid   10 and name  HB1)
assign (segid "   D" and resid    9 and name  HB2) (segid "   D" and resid    9 and name  HB1) 1.881 0.442 0.442 weight 1.000 ! spec=13CN...13AB, no=1447, id=786, vol=1.604971e+06
assign (segid "   D" and resid    9 and name  HB1) (segid "   D" and resid   30 and name   HA) 4.180 2.184 2.184 weight 1.000 ! spec=13CN...13AB, no=1448, id=787, vol=1.897265e+05
assign (segid "   D" and resid    8 and name  HG1) (segid "   D" and resid   15 and name   HA) 3.465 1.501 1.501 weight 1.000 ! spec=13CN...13AB, no=1452, id=791, vol=4.058378e+05
assign (segid "   D" and resid    6 and name  HB2) (segid "   D" and resid   29 and name HG12) 4.310 2.322 2.322 weight 1.000 ! spec=13CN...13AB, no=1460, id=794, vol=2.514378e+05
    or (segid "   D" and resid    6 and name  HB2) (segid "   D" and resid   29 and name HG11)
    or (segid "   D" and resid    6 and name  HB2) (segid "   D" and resid   29 and name HG13)
assign (segid "   D" and resid   85 and name   HA) (segid "   D" and resid   85 and name  HB2) 2.800 0.980 0.980 weight 1.000 ! spec=13CN...13AB, no=1482, id=798, vol=1.716581e+06
assign (segid "   D" and resid   49 and name  HD1) (segid "   D" and resid   67 and name   HA) 2.821 0.995 0.995 weight 1.000 ! spec=13CN...13AB, no=1488, id=799, vol=6.337873e+05
assign (segid "   D" and resid   57 and name  HB1) (segid "   D" and resid   57 and name   HA) 2.543 0.808 0.808 weight 1.000 ! spec=13CN...13AB, no=1499, id=801, vol=8.923775e+05
assign (segid "   D" and resid   41 and name   HA) (segid "   D" and resid   41 and name  HD2) 3.791 1.797 1.797 weight 1.000 ! spec=13CN...13AB, no=1514, id=803, vol=2.653140e+05
assign (segid "   D" and resid   41 and name  HD2) (segid "   D" and resid   37 and name HD22) 3.559 1.583 1.583 weight 1.000 ! spec=13CN...13AB, no=1522, id=805, vol=4.599135e+05
    or (segid "   D" and resid   41 and name  HD2) (segid "   D" and resid   37 and name HD21)
    or (segid "   D" and resid   41 and name  HD2) (segid "   D" and resid   37 and name HD23)
assign (segid "   D" and resid   41 and name  HD1) (segid "   D" and resid   37 and name HD22) 2.787 0.971 0.971 weight 1.000 ! spec=13CN...13AB, no=1523, id=806, vol=3.726578e+05
    or (segid "   D" and resid   41 and name  HD1) (segid "   D" and resid   37 and name HD21)
    or (segid "   D" and resid   41 and name  HD1) (segid "   D" and resid   37 and name HD23)
assign (segid "   D" and resid   37 and name HD12) (segid "   D" and resid   41 and name  HD1) 2.807 0.985 0.985 weight 1.000 ! spec=13CN...13AB, no=1524, id=807, vol=4.568767e+05
    or (segid "   D" and resid   37 and name HD11) (segid "   D" and resid   41 and name  HD1)
    or (segid "   D" and resid   37 and name HD13) (segid "   D" and resid   41 and name  HD1)
assign (segid "   D" and resid   41 and name  HD2) (segid "   D" and resid   40 and name   HA) 2.359 0.696 0.696 weight 1.000 ! spec=13CN...13AB, no=1525, id=808, vol=9.510253e+05
assign (segid "   D" and resid   41 and name  HD1) (segid "   D" and resid   40 and name   HA) 2.517 0.792 0.792 weight 1.000 ! spec=13CN...13AB, no=1526, id=809, vol=1.500208e+06
assign (segid "   D" and resid   28 and name   HA) (segid "   D" and resid   28 and name  HG2) 3.628 1.645 1.645 weight 1.000 ! spec=13CN...13AB, no=1530, id=811, vol=6.198713e+05
assign (segid "   D" and resid   28 and name   HA) (segid "   D" and resid   28 and name  HG1) 2.905 1.055 1.055 weight 1.000 ! spec=13CN...13AB, no=1531, id=812, vol=3.408856e+05
assign (segid "   D" and resid   27 and name  HD2) (segid "   D" and resid   27 and name  HG2) 2.698 0.910 0.910 weight 1.000 ! spec=13CN...13AB, no=1532, id=813, vol=4.785845e+05
assign (segid "   D" and resid   24 and name  HG2) (segid "   D" and resid   24 and name   HA) 3.662 1.677 1.677 weight 1.000 ! spec=13CN...13AB, no=1538, id=815, vol=6.760658e+05
assign (segid "   D" and resid   23 and name  HD2) (segid "   D" and resid   23 and name  HD1) 1.827 0.417 0.417 weight 1.000 ! spec=13CN...13AB, no=1545, id=820, vol=1.948202e+06
assign (segid "   D" and resid   68 and name  HB2) (segid "   D" and resid   68 and name  HB1) 1.819 0.414 0.414 weight 1.000 ! spec=13CN...13AB, no=1547, id=821, vol=3.231896e+06
assign (segid "   D" and resid   89 and name  HB2) (segid "   D" and resid   93 and name  HD2) 4.014 2.014 2.014 weight 1.000 ! spec=13CN...13AB, no=1556, id=826, vol=2.745130e+05
assign (segid "   D" and resid   50 and name  HE1) (segid "   D" and resid   26 and name  HB1) 4.087 2.088 2.088 weight 1.000 ! spec=13CN...13AB, no=1563, id=830, vol=2.212988e+05
assign (segid "   D" and resid   74 and name  HD2) (segid "   D" and resid   54 and name   HB) 3.734 1.743 1.743 weight 1.000 ! spec=13CN...13AB, no=1565, id=831, vol=1.975893e+05
assign (segid "   D" and resid   90 and name  HB1) (segid "   D" and resid   68 and name  HB2) 3.086 1.190 1.190 weight 1.000 ! spec=13CN...13AB, no=1569, id=834, vol=2.843164e+05
assign (segid "   D" and resid   87 and name  HB1) (segid "   D" and resid   64 and name  HG1) 3.618 1.636 1.636 weight 1.000 ! spec=13CN...13AB, no=1571, id=835, vol=3.282408e+05
assign (segid "   D" and resid   28 and name  HB2) (segid "   D" and resid   49 and name  HZ3) 3.366 1.416 1.416 weight 1.000 ! spec=13CN...13AB, no=1577, id=838, vol=2.149340e+05
assign (segid "   D" and resid   28 and name  HB1) (segid "   D" and resid   49 and name  HZ3) 4.500 2.531 2.531 weight 1.000 ! spec=13CN...13AB, no=1578, id=839, vol=2.211691e+05
assign (segid "   D" and resid   32 and name  HB2) (segid "   D" and resid   37 and name  HB2) 2.285 0.653 0.653 weight 1.000 ! spec=13CN...13AB, no=1580, id=841, vol=1.682788e+06
    or (segid "   D" and resid   32 and name  HB1) (segid "   D" and resid   37 and name  HB2)
    or (segid "   D" and resid   32 and name  HB3) (segid "   D" and resid   37 and name  HB2)
assign (segid "   D" and resid   28 and name  HD2) (segid "   D" and resid   28 and name  HB2) 3.629 1.646 1.646 weight 1.000 ! spec=13CN...13AB, no=1583, id=842, vol=2.640264e+05
assign (segid "   D" and resid   28 and name  HB1) (segid "   D" and resid   28 and name  HD2) 4.373 2.390 2.390 weight 1.000 ! spec=13CN...13AB, no=1585, id=844, vol=2.049583e+05
assign (segid "   D" and resid   28 and name   HA) (segid "   D" and resid   28 and name  HD2) 2.905 1.055 1.055 weight 1.000 ! spec=13CN...13AB, no=1586, id=845, vol=2.597712e+05
assign (segid "   D" and resid   28 and name  HG1) (segid "   D" and resid   28 and name  HG2) 2.389 0.714 0.714 weight 1.000 ! spec=13CN...13AB, no=1587, id=846, vol=4.082929e+05
assign (segid "   D" and resid   28 and name  HD2) (segid "   D" and resid   28 and name  HD1) 2.449 0.750 0.750 weight 1.000 ! spec=13CN...13AB, no=1589, id=847, vol=3.301829e+05
assign (segid "   D" and resid   28 and name  HG2) (segid "   D" and resid   28 and name  HB2) 3.129 1.224 1.224 weight 1.000 ! spec=13CN...13AB, no=1591, id=849, vol=2.493793e+05
assign (segid "   D" and resid   46 and name   HN) (segid "   D" and resid   45 and name   HA) 2.376 0.705 0.705 weight 1.000 ! spec=15NN...12AB, no=1, id=1092, vol=3.593358e+06
assign (segid "   D" and resid   46 and name   HN) (segid "   D" and resid   46 and name   HA) 3.338 1.392 1.392 weight 1.000 ! spec=15NN...12AB, no=2, id=1093, vol=6.385832e+05
assign (segid "   D" and resid   51 and name HE22) (segid "   D" and resid   50 and name  HB1) 4.476 2.504 2.504 weight 1.000 ! spec=15NN...12AB, no=8, id=1096, vol=5.368883e+05
assign (segid "   D" and resid   51 and name HE22) (segid "   D" and resid   50 and name  HB2) 4.144 2.146 2.146 weight 1.000 ! spec=15NN...12AB, no=9, id=1097, vol=7.365287e+05
assign (segid "   D" and resid   51 and name HE22) (segid "   D" and resid   51 and name  HG2) 3.543 1.569 1.569 weight 1.000 ! spec=15NN...12AB, no=11, id=1098, vol=1.879888e+06
assign (segid "   D" and resid   51 and name HE21) (segid "   D" and resid   50 and name  HB2) 3.170 1.256 1.256 weight 1.000 ! spec=15NN...12AB, no=13, id=1100, vol=5.525553e+05
assign (segid "   D" and resid   51 and name HE21) (segid "   D" and resid   51 and name  HG1) 4.048 2.049 2.049 weight 1.000 ! spec=15NN...12AB, no=14, id=1101, vol=4.868012e+05
assign (segid "   D" and resid   51 and name HE21) (segid "   D" and resid   51 and name  HG2) 2.724 0.928 0.928 weight 1.000 ! spec=15NN...12AB, no=15, id=1102, vol=9.023637e+05
assign (segid "   D" and resid   51 and name HE22) (segid "   D" and resid   51 and name   HA) 4.073 2.074 2.074 weight 1.000 ! spec=15NN...12AB, no=18, id=1104, vol=5.460707e+05
assign (segid "   D" and resid   51 and name HE22) (segid "   D" and resid   51 and name HE21) 1.666 0.347 0.347 weight 1.000 ! spec=15NN...12AB, no=20, id=1105, vol=1.398932e+07
assign (segid "   D" and resid   45 and name   HN) (segid "   D" and resid   45 and name   HA) 2.266 0.642 0.642 weight 1.000 ! spec=15NN...12AB, no=26, id=1107, vol=3.729451e+06
assign (segid "   D" and resid   45 and name   HN) (segid "   D" and resid   45 and name  HB1) 2.126 0.565 0.565 weight 1.000 ! spec=15NN...12AB, no=27, id=1108, vol=3.627070e+06
assign (segid "   D" and resid   45 and name   HN) (segid "   D" and resid   44 and name  HB1) 2.984 1.113 1.113 weight 1.000 ! spec=15NN...12AB, no=29, id=1109, vol=2.120740e+06
assign (segid "   D" and resid   49 and name   HN) (segid "   D" and resid   49 and name  HB2) 2.555 0.816 0.816 weight 1.000 ! spec=15NN...12AB, no=30, id=1110, vol=2.020967e+06
assign (segid "   D" and resid   49 and name   HN) (segid "   D" and resid   49 and name  HB1) 3.129 1.224 1.224 weight 1.000 ! spec=15NN...12AB, no=31, id=1111, vol=1.489055e+06
assign (segid "   D" and resid   66 and name   HN) (segid "   D" and resid   65 and name   HN) 2.329 0.678 0.678 weight 1.000 ! spec=15NN...12AB, no=32, id=1112, vol=3.145899e+06
assign (segid "   D" and resid   94 and name   HN) (segid "   D" and resid   93 and name   HN) 2.955 1.092 1.092 weight 1.000 ! spec=15NN...12AB, no=35, id=1113, vol=1.544453e+06
assign (segid "   D" and resid   66 and name   HN) (segid "   D" and resid   63 and name   HA) 3.675 1.688 1.688 weight 1.000 ! spec=15NN...12AB, no=37, id=1114, vol=1.171708e+06
assign (segid "   D" and resid   66 and name   HN) (segid "   D" and resid   66 and name   HA) 2.847 1.013 1.013 weight 1.000 ! spec=15NN...12AB, no=38, id=1115, vol=1.114814e+06
assign (segid "   D" and resid   66 and name   HN) (segid "   D" and resid   66 and name  HB1) 3.346 1.400 1.400 weight 1.000 ! spec=15NN...12AB, no=39, id=1116, vol=5.313908e+05
assign (segid "   D" and resid   66 and name   HN) (segid "   D" and resid   66 and name  HB2) 3.579 1.601 1.601 weight 1.000 ! spec=15NN...12AB, no=40, id=1117, vol=9.163609e+05
assign (segid "   D" and resid   66 and name   HN) (segid "   D" and resid   65 and name   HA) 3.449 1.487 1.487 weight 1.000 ! spec=15NN...12AB, no=42, id=1118, vol=7.306946e+05
assign (segid "   D" and resid   66 and name   HN) (segid "   D" and resid   65 and name  HG1) 4.507 2.539 2.539 weight 1.000 ! spec=15NN...12AB, no=43, id=1119, vol=5.331011e+05
assign (segid "   D" and resid   66 and name   HN) (segid "   D" and resid   65 and name  HB1) 4.339 2.353 2.353 weight 1.000 ! spec=15NN...12AB, no=44, id=1120, vol=4.805590e+05
assign (segid "   D" and resid   66 and name   HN) (segid "   D" and resid   65 and name  HB2) 3.609 1.628 1.628 weight 1.000 ! spec=15NN...12AB, no=45, id=1121, vol=6.394655e+05
assign (segid "   D" and resid   49 and name  HE1) (segid "   D" and resid   62 and name  HD1) 4.643 2.695 2.695 weight 1.000 ! spec=15NN...12AB, no=48, id=1124, vol=5.093447e+05
    or (segid "   D" and resid   49 and name  HE1) (segid "   D" and resid   62 and name  HD2)
assign (segid "   D" and resid   49 and name  HE1) (segid "   D" and resid   67 and name   HA) 3.716 1.726 1.726 weight 1.000 ! spec=15NN...12AB, no=50, id=1126, vol=3.803809e+05
assign (segid "   D" and resid   49 and name  HE1) (segid "   D" and resid   62 and name  HB1) 3.127 1.223 1.223 weight 1.000 ! spec=15NN...12AB, no=51, id=1127, vol=7.814377e+05
assign (segid "   D" and resid   49 and name  HE1) (segid "   D" and resid   62 and name  HB2) 4.396 2.415 2.415 weight 1.000 ! spec=15NN...12AB, no=52, id=1128, vol=4.792923e+05
assign (segid "   D" and resid   23 and name   HN) (segid "   D" and resid   21 and name  HB1) 3.151 1.241 1.241 weight 1.000 ! spec=15NN...12AB, no=54, id=1130, vol=5.541755e+05
assign (segid "   D" and resid   23 and name   HN) (segid "   D" and resid   22 and name   HA) 2.981 1.111 1.111 weight 1.000 ! spec=15NN...12AB, no=55, id=1131, vol=1.285128e+06
assign (segid "   D" and resid   47 and name   HN) (segid "   D" and resid   50 and name  HD2) 3.345 1.398 1.398 weight 1.000 ! spec=15NN...12AB, no=56, id=1132, vol=7.327570e+05
assign (segid "   D" and resid   47 and name   HN) (segid "   D" and resid   50 and name  HB1) 4.260 2.268 2.268 weight 1.000 ! spec=15NN...12AB, no=58, id=1133, vol=6.101928e+05
assign (segid "   D" and resid   47 and name   HN) (segid "   D" and resid   47 and name  HB1) 2.876 1.034 1.034 weight 1.000 ! spec=15NN...12AB, no=60, id=1135, vol=9.451084e+05
assign (segid "   D" and resid   23 and name   HN) (segid "   D" and resid   22 and name   HN) 2.784 0.969 0.969 weight 1.000 ! spec=15NN...12AB, no=61, id=1136, vol=1.358929e+06
assign (segid "   D" and resid   22 and name   HN) (segid "   D" and resid   21 and name   HA) 2.718 0.924 0.924 weight 1.000 ! spec=15NN...12AB, no=66, id=1138, vol=1.205421e+06
assign (segid "   D" and resid   22 and name   HN) (segid "   D" and resid   21 and name  HB2) 4.666 2.721 2.721 weight 1.000 ! spec=15NN...12AB, no=67, id=1139, vol=3.442205e+05
assign (segid "   D" and resid   22 and name   HN) (segid "   D" and resid   21 and name  HB1) 4.241 2.248 2.248 weight 1.000 ! spec=15NN...12AB, no=68, id=1140, vol=2.761894e+05
assign (segid "   D" and resid   21 and name   HN) (segid "   D" and resid   21 and name  HB2) 2.448 0.749 0.749 weight 1.000 ! spec=15NN...12AB, no=72, id=1142, vol=2.304391e+06
assign (segid "   D" and resid   21 and name   HN) (segid "   D" and resid   21 and name  HB1) 2.916 1.063 1.063 weight 1.000 ! spec=15NN...12AB, no=73, id=1143, vol=1.887718e+06
assign (segid "   D" and resid   21 and name   HN) (segid "   D" and resid   21 and name   HA) 3.039 1.154 1.154 weight 1.000 ! spec=15NN...12AB, no=74, id=1144, vol=9.738686e+05
assign (segid "   D" and resid   21 and name   HN) (segid "   D" and resid   20 and name   HA) 2.338 0.683 0.683 weight 1.000 ! spec=15NN...12AB, no=76, id=1145, vol=3.662099e+06
assign (segid "   D" and resid   47 and name   HN) (segid "   D" and resid   46 and name   HA) 2.676 0.895 0.895 weight 1.000 ! spec=15NN...12AB, no=77, id=1146, vol=1.874287e+06
assign (segid "   D" and resid   94 and name   HN) (segid "   D" and resid   93 and name   HA) 2.641 0.872 0.872 weight 1.000 ! spec=15NN...12AB, no=78, id=1147, vol=2.477172e+06
assign (segid "   D" and resid   94 and name   HN) (segid "   D" and resid   94 and name   HA) 2.916 1.063 1.063 weight 1.000 ! spec=15NN...12AB, no=79, id=1148, vol=2.016193e+06
assign (segid "   D" and resid   94 and name   HN) (segid "   D" and resid   93 and name  HB1) 3.803 1.808 1.808 weight 1.000 ! spec=15NN...12AB, no=80, id=1149, vol=9.641584e+05
assign (segid "   D" and resid   94 and name   HN) (segid "   D" and resid   93 and name  HB2) 3.850 1.853 1.853 weight 1.000 ! spec=15NN...12AB, no=81, id=1150, vol=7.566389e+05
assign (segid "   D" and resid   94 and name   HN) (segid "   D" and resid   94 and name  HB2) 2.608 0.850 0.850 weight 1.000 ! spec=15NN...12AB, no=82, id=1151, vol=3.191740e+06
assign (segid "   D" and resid   93 and name   HN) (segid "   D" and resid   93 and name   HA) 2.931 1.074 1.074 weight 1.000 ! spec=15NN...12AB, no=88, id=1154, vol=1.559849e+06
assign (segid "   D" and resid   93 and name   HN) (segid "   D" and resid   92 and name   HA) 3.009 1.132 1.132 weight 1.000 ! spec=15NN...12AB, no=89, id=1155, vol=1.366567e+06
assign (segid "   D" and resid   93 and name   HN) (segid "   D" and resid   93 and name  HB1) 4.065 2.066 2.066 weight 1.000 ! spec=15NN...12AB, no=90, id=1156, vol=9.284134e+05
assign (segid "   D" and resid   93 and name   HN) (segid "   D" and resid   93 and name  HB2) 2.754 0.948 0.948 weight 1.000 ! spec=15NN...12AB, no=91, id=1157, vol=1.619315e+06
assign (segid "   D" and resid   93 and name   HN) (segid "   D" and resid   92 and name  HG2) 4.678 2.736 2.736 weight 1.000 ! spec=15NN...12AB, no=92, id=1158, vol=3.537056e+05
assign (segid "   D" and resid   93 and name   HN) (segid "   D" and resid   92 and name  HB1) 4.098 2.099 2.099 weight 1.000 ! spec=15NN...12AB, no=93, id=1159, vol=5.733135e+05
assign (segid "   D" and resid   93 and name   HN) (segid "   D" and resid   92 and name  HB2) 3.766 1.773 1.773 weight 1.000 ! spec=15NN...12AB, no=94, id=1160, vol=5.490496e+05
assign (segid "   D" and resid   93 and name   HN) (segid "   D" and resid   92 and name   HN) 2.763 0.954 0.954 weight 1.000 ! spec=15NN...12AB, no=96, id=1161, vol=1.739343e+06
assign (segid "   D" and resid   92 and name   HN) (segid "   D" and resid   92 and name   HA) 2.769 0.958 0.958 weight 1.000 ! spec=15NN...12AB, no=98, id=1162, vol=2.207165e+06
assign (segid "   D" and resid   92 and name   HN) (segid "   D" and resid   92 and name  HB1) 3.273 1.339 1.339 weight 1.000 ! spec=15NN...12AB, no=100, id=1164, vol=3.240345e+06
assign (segid "   D" and resid   92 and name   HN) (segid "   D" and resid   92 and name  HB2) 2.617 0.856 0.856 weight 1.000 ! spec=15NN...12AB, no=101, id=1165, vol=1.755075e+06
assign (segid "   D" and resid   92 and name   HN) (segid "   D" and resid   90 and name  HB1) 4.262 2.271 2.271 weight 1.000 ! spec=15NN...12AB, no=102, id=1166, vol=5.006941e+05
assign (segid "   D" and resid   92 and name   HN) (segid "   D" and resid   90 and name   HA) 4.388 2.407 2.407 weight 1.000 ! spec=15NN...12AB, no=105, id=1167, vol=2.931987e+05
assign (segid "   D" and resid   91 and name   HN) (segid "   D" and resid   90 and name   HA) 2.705 0.915 0.915 weight 1.000 ! spec=15NN...12AB, no=108, id=1168, vol=1.424063e+06
assign (segid "   D" and resid   91 and name   HN) (segid "   D" and resid   91 and name   HA) 2.898 1.050 1.050 weight 1.000 ! spec=15NN...12AB, no=110, id=1169, vol=1.272898e+06
assign (segid "   D" and resid   91 and name   HN) (segid "   D" and resid   90 and name  HB1) 3.613 1.632 1.632 weight 1.000 ! spec=15NN...12AB, no=111, id=1170, vol=2.110269e+06
assign (segid "   D" and resid   91 and name   HN) (segid "   D" and resid   90 and name  HB2) 2.684 0.900 0.900 weight 1.000 ! spec=15NN...12AB, no=112, id=1171, vol=1.138515e+06
assign (segid "   D" and resid   91 and name   HN) (segid "   D" and resid   91 and name HG21) 2.629 0.864 0.864 weight 1.000 ! spec=15NN...12AB, no=113, id=1172, vol=2.089553e+06
    or (segid "   D" and resid   91 and name   HN) (segid "   D" and resid   91 and name HG22)
    or (segid "   D" and resid   91 and name   HN) (segid "   D" and resid   91 and name HG23)
assign (segid "   D" and resid   91 and name   HN) (segid "   D" and resid   79 and name HD12) 4.680 2.737 2.737 weight 1.000 ! spec=15NN...12AB, no=114, id=1173, vol=3.252128e+05
    or (segid "   D" and resid   91 and name   HN) (segid "   D" and resid   79 and name HD11)
    or (segid "   D" and resid   91 and name   HN) (segid "   D" and resid   79 and name HD13)
assign (segid "   D" and resid   90 and name   HN) (segid "   D" and resid   79 and name HD12) 3.103 1.204 1.204 weight 1.000 ! spec=15NN...12AB, no=115, id=1174, vol=7.781187e+05
    or (segid "   D" and resid   90 and name   HN) (segid "   D" and resid   79 and name HD11)
    or (segid "   D" and resid   90 and name   HN) (segid "   D" and resid   79 and name HD13)
assign (segid "   D" and resid   90 and name   HN) (segid "   D" and resid   90 and name  HB2) 3.709 1.720 1.720 weight 1.000 ! spec=15NN...12AB, no=116, id=1175, vol=9.765287e+05
assign (segid "   D" and resid   90 and name   HN) (segid "   D" and resid   89 and name   HA) 2.459 0.756 0.756 weight 1.000 ! spec=15NN...12AB, no=118, id=1176, vol=2.635872e+06
assign (segid "   D" and resid   90 and name   HN) (segid "   D" and resid   90 and name   HA) 3.127 1.223 1.223 weight 1.000 ! spec=15NN...12AB, no=119, id=1177, vol=7.636209e+05
assign (segid "   D" and resid   90 and name   HN) (segid "   D" and resid   63 and name   HA) 3.417 1.459 1.459 weight 1.000 ! spec=15NN...12AB, no=121, id=1178, vol=7.909832e+05
assign (segid "   D" and resid   90 and name   HN) (segid "   D" and resid   90 and name  HB1) 3.037 1.153 1.153 weight 1.000 ! spec=15NN...12AB, no=122, id=1179, vol=6.480343e+05
assign (segid "   D" and resid   90 and name   HN) (segid "   D" and resid   89 and name  HB1) 4.078 2.079 2.079 weight 1.000 ! spec=15NN...12AB, no=123, id=1180, vol=7.376961e+05
assign (segid "   D" and resid   90 and name   HN) (segid "   D" and resid   93 and name  HD2) 3.212 1.290 1.290 weight 1.000 ! spec=15NN...12AB, no=124, id=1181, vol=9.309969e+05
assign (segid "   D" and resid   90 and name   HN) (segid "   D" and resid   91 and name   HN) 4.650 2.703 2.703 weight 1.000 ! spec=15NN...12AB, no=131, id=1182, vol=2.548504e+05
assign (segid "   D" and resid   89 and name   HN) (segid "   D" and resid   89 and name   HA) 3.257 1.326 1.326 weight 1.000 ! spec=15NN...12AB, no=134, id=1183, vol=6.021243e+05
assign (segid "   D" and resid   89 and name   HN) (segid "   D" and resid   79 and name   HA) 4.196 2.201 2.201 weight 1.000 ! spec=15NN...12AB, no=135, id=1184, vol=4.507673e+05
assign (segid "   D" and resid   89 and name   HN) (segid "   D" and resid   88 and name   HA) 2.224 0.618 0.618 weight 1.000 ! spec=15NN...12AB, no=136, id=1185, vol=4.271026e+06
assign (segid "   D" and resid   89 and name   HN) (segid "   D" and resid   81 and name   HA) 3.497 1.529 1.529 weight 1.000 ! spec=15NN...12AB, no=137, id=1186, vol=7.942810e+05
assign (segid "   D" and resid   89 and name   HN) (segid "   D" and resid   88 and name  HB1) 3.397 1.442 1.442 weight 1.000 ! spec=15NN...12AB, no=139, id=1188, vol=6.077107e+05
assign (segid "   D" and resid   89 and name   HN) (segid "   D" and resid   88 and name   HG) 4.089 2.090 2.090 weight 1.000 ! spec=15NN...12AB, no=140, id=1189, vol=8.899661e+05
assign (segid "   D" and resid   89 and name   HN) (segid "   D" and resid   81 and name HD12) 3.589 1.610 1.610 weight 1.000 ! spec=15NN...12AB, no=141, id=1190, vol=1.639748e+06
    or (segid "   D" and resid   89 and name   HN) (segid "   D" and resid   81 and name HD11)
    or (segid "   D" and resid   89 and name   HN) (segid "   D" and resid   81 and name HD13)
assign (segid "   D" and resid   88 and name   HN) (segid "   D" and resid   81 and name HD12) 3.152 1.242 1.242 weight 1.000 ! spec=15NN...12AB, no=142, id=1191, vol=1.211409e+06
    or (segid "   D" and resid   88 and name   HN) (segid "   D" and resid   81 and name HD11)
    or (segid "   D" and resid   88 and name   HN) (segid "   D" and resid   81 and name HD13)
assign (segid "   D" and resid   88 and name   HN) (segid "   D" and resid   88 and name  HB1) 3.055 1.167 1.167 weight 1.000 ! spec=15NN...12AB, no=143, id=1192, vol=2.761983e+06
assign (segid "   D" and resid   88 and name   HN) (segid "   D" and resid   64 and name  HG1) 2.885 1.040 1.040 weight 1.000 ! spec=15NN...12AB, no=145, id=1194, vol=8.516245e+05
assign (segid "   D" and resid   88 and name   HN) (segid "   D" and resid   87 and name  HD1) 4.717 2.781 2.781 weight 1.000 ! spec=15NN...12AB, no=146, id=1195, vol=3.336332e+05
assign (segid "   D" and resid   88 and name   HN) (segid "   D" and resid   64 and name  HG2) 3.973 1.973 1.973 weight 1.000 ! spec=15NN...12AB, no=147, id=1196, vol=1.078354e+06
assign (segid "   D" and resid   88 and name   HN) (segid "   D" and resid   87 and name   HA) 2.193 0.601 0.601 weight 1.000 ! spec=15NN...12AB, no=148, id=1197, vol=4.563722e+06
assign (segid "   D" and resid   87 and name   HN) (segid "   D" and resid   82 and name   HN) 3.110 1.209 1.209 weight 1.000 ! spec=15NN...12AB, no=150, id=1198, vol=9.491531e+05
assign (segid "   D" and resid   87 and name   HN) (segid "   D" and resid   85 and name   HN) 3.564 1.587 1.587 weight 1.000 ! spec=15NN...12AB, no=152, id=1199, vol=5.840797e+05
assign (segid "   D" and resid   87 and name   HN) (segid "   D" and resid   85 and name   HA) 3.957 1.958 1.958 weight 1.000 ! spec=15NN...12AB, no=153, id=1200, vol=6.458842e+05
assign (segid "   D" and resid   87 and name   HN) (segid "   D" and resid   82 and name  HB1) 2.384 0.710 0.710 weight 1.000 ! spec=15NN...12AB, no=154, id=1201, vol=3.609992e+06
assign (segid "   D" and resid   87 and name   HN) (segid "   D" and resid   86 and name  HA1) 3.266 1.334 1.334 weight 1.000 ! spec=15NN...12AB, no=155, id=1202, vol=1.110491e+06
assign (segid "   D" and resid   87 and name   HN) (segid "   D" and resid   87 and name  HD2) 4.059 2.059 2.059 weight 1.000 ! spec=15NN...12AB, no=156, id=1203, vol=6.149782e+05
assign (segid "   D" and resid   87 and name   HN) (segid "   D" and resid   85 and name  HB1) 4.573 2.614 2.614 weight 1.000 ! spec=15NN...12AB, no=157, id=1204, vol=3.750330e+05
assign (segid "   D" and resid   87 and name   HN) (segid "   D" and resid   87 and name  HB2) 2.261 0.639 0.639 weight 1.000 ! spec=15NN...12AB, no=158, id=1205, vol=3.215895e+06
assign (segid "   D" and resid   86 and name   HN) (segid "   D" and resid   81 and name HG22) 3.684 1.696 1.696 weight 1.000 ! spec=15NN...12AB, no=163, id=1209, vol=9.754278e+05
    or (segid "   D" and resid   86 and name   HN) (segid "   D" and resid   81 and name HG21)
    or (segid "   D" and resid   86 and name   HN) (segid "   D" and resid   81 and name HG23)
assign (segid "   D" and resid   86 and name   HN) (segid "   D" and resid   85 and name   HA) 3.172 1.257 1.257 weight 1.000 ! spec=15NN...12AB, no=164, id=1210, vol=1.109757e+06
assign (segid "   D" and resid   86 and name   HN) (segid "   D" and resid   86 and name  HA2) 2.156 0.581 0.581 weight 1.000 ! spec=15NN...12AB, no=165, id=1211, vol=4.049741e+06
assign (segid "   D" and resid   86 and name   HN) (segid "   D" and resid   86 and name  HA1) 2.641 0.872 0.872 weight 1.000 ! spec=15NN...12AB, no=166, id=1212, vol=3.868023e+06
assign (segid "   D" and resid   86 and name   HN) (segid "   D" and resid   82 and name   HN) 3.927 1.928 1.928 weight 1.000 ! spec=15NN...12AB, no=169, id=1214, vol=3.675432e+05
assign (segid "   D" and resid   86 and name   HN) (segid "   D" and resid   87 and name  HD2) 4.812 2.894 2.894 weight 1.000 ! spec=15NN...12AB, no=170, id=1215, vol=3.041611e+05
assign (segid "   D" and resid   85 and name   HN) (segid "   D" and resid   84 and name HD12) 4.299 2.310 2.310 weight 1.000 ! spec=15NN...12AB, no=172, id=1216, vol=5.525545e+05
    or (segid "   D" and resid   85 and name   HN) (segid "   D" and resid   84 and name HD11)
    or (segid "   D" and resid   85 and name   HN) (segid "   D" and resid   84 and name HD13)
assign (segid "   D" and resid   85 and name   HN) (segid "   D" and resid   83 and name  HB1) 4.572 2.613 2.613 weight 1.000 ! spec=15NN...12AB, no=175, id=1217, vol=3.476912e+05
assign (segid "   D" and resid   85 and name   HN) (segid "   D" and resid   84 and name  HB2) 2.256 0.636 0.636 weight 1.000 ! spec=15NN...12AB, no=177, id=1218, vol=3.092487e+06
assign (segid "   D" and resid   85 and name   HN) (segid "   D" and resid   85 and name  HB1) 3.846 1.849 1.849 weight 1.000 ! spec=15NN...12AB, no=178, id=1219, vol=8.130300e+05
assign (segid "   D" and resid   85 and name   HN) (segid "   D" and resid   85 and name  HB2) 2.975 1.106 1.106 weight 1.000 ! spec=15NN...12AB, no=179, id=1220, vol=6.729113e+05
assign (segid "   D" and resid   85 and name   HN) (segid "   D" and resid   86 and name  HA1) 4.978 3.097 3.097 weight 1.000 ! spec=15NN...12AB, no=180, id=1221, vol=5.217446e+05
assign (segid "   D" and resid   85 and name   HN) (segid "   D" and resid   82 and name  HB1) 2.825 0.998 0.998 weight 1.000 ! spec=15NN...12AB, no=181, id=1222, vol=2.041498e+06
assign (segid "   D" and resid   85 and name   HN) (segid "   D" and resid   85 and name   HA) 2.616 0.856 0.856 weight 1.000 ! spec=15NN...12AB, no=182, id=1223, vol=2.573165e+06
assign (segid "   D" and resid   85 and name   HN) (segid "   D" and resid   84 and name   HN) 2.538 0.805 0.805 weight 1.000 ! spec=15NN...12AB, no=183, id=1224, vol=2.074044e+06
assign (segid "   D" and resid   86 and name   HN) (segid "   D" and resid   85 and name   HN) 2.112 0.558 0.558 weight 1.000 ! spec=15NN...12AB, no=184, id=1225, vol=3.804505e+06
assign (segid "   D" and resid   84 and name   HN) (segid "   D" and resid   84 and name  HB2) 2.090 0.546 0.546 weight 1.000 ! spec=15NN...12AB, no=187, id=1228, vol=5.756081e+06
assign (segid "   D" and resid   84 and name   HN) (segid "   D" and resid   83 and name   HN) 2.646 0.875 0.875 weight 1.000 ! spec=15NN...12AB, no=192, id=1231, vol=1.479873e+06
assign (segid "   D" and resid   83 and name   HN) (segid "   D" and resid   83 and name  HG1) 2.626 0.862 0.862 weight 1.000 ! spec=15NN...12AB, no=195, id=1232, vol=2.044643e+06
assign (segid "   D" and resid   83 and name   HN) (segid "   D" and resid   83 and name  HB2) 2.343 0.686 0.686 weight 1.000 ! spec=15NN...12AB, no=196, id=1233, vol=2.653081e+06
assign (segid "   D" and resid   83 and name   HN) (segid "   D" and resid   82 and name   HA) 2.264 0.641 0.641 weight 1.000 ! spec=15NN...12AB, no=198, id=1234, vol=3.909506e+06
assign (segid "   D" and resid   83 and name   HN) (segid "   D" and resid   83 and name   HA) 2.918 1.064 1.064 weight 1.000 ! spec=15NN...12AB, no=199, id=1235, vol=2.115034e+06
assign (segid "   D" and resid   83 and name   HN) (segid "   D" and resid   82 and name   HN) 4.224 2.231 2.231 weight 1.000 ! spec=15NN...12AB, no=201, id=1237, vol=5.323644e+05
assign (segid "   D" and resid   83 and name   HN) (segid "   D" and resid   86 and name   HN) 4.345 2.359 2.359 weight 1.000 ! spec=15NN...12AB, no=202, id=1238, vol=3.126441e+05
assign (segid "   D" and resid   82 and name   HN) (segid "   D" and resid   81 and name HG22) 2.597 0.843 0.843 weight 1.000 ! spec=15NN...12AB, no=204, id=1239, vol=2.286604e+06
    or (segid "   D" and resid   82 and name   HN) (segid "   D" and resid   81 and name HG21)
    or (segid "   D" and resid   82 and name   HN) (segid "   D" and resid   81 and name HG23)
assign (segid "   D" and resid   64 and name   HN) (segid "   D" and resid   64 and name  HG2) 3.539 1.565 1.565 weight 1.000 ! spec=15NN...12AB, no=205, id=1240, vol=1.513739e+06
assign (segid "   D" and resid   64 and name   HN) (segid "   D" and resid   64 and name  HG1) 2.444 0.746 0.746 weight 1.000 ! spec=15NN...12AB, no=206, id=1241, vol=1.917024e+06
assign (segid "   D" and resid   64 and name   HN) (segid "   D" and resid   64 and name  HB2) 2.645 0.874 0.874 weight 1.000 ! spec=15NN...12AB, no=207, id=1242, vol=1.815642e+06
assign (segid "   D" and resid   64 and name   HN) (segid "   D" and resid   64 and name   HA) 2.857 1.021 1.021 weight 1.000 ! spec=15NN...12AB, no=209, id=1243, vol=1.376703e+06
assign (segid "   D" and resid   64 and name   HN) (segid "   D" and resid   89 and name   HA) 3.220 1.296 1.296 weight 1.000 ! spec=15NN...12AB, no=210, id=1244, vol=6.690941e+05
assign (segid "   D" and resid   82 and name   HN) (segid "   D" and resid   81 and name HG11) 4.428 2.451 2.451 weight 1.000 ! spec=15NN...12AB, no=214, id=1247, vol=4.793871e+05
assign (segid "   D" and resid   82 and name   HN) (segid "   D" and resid   86 and name  HA2) 2.079 0.540 3.921 weight 1.000 ! spec=15NN...12AB, no=216, id=1249, vol=7.695259e+06
assign (segid "   D" and resid   82 and name   HN) (segid "   D" and resid   82 and name   HA) 2.632 0.866 0.866 weight 1.000 ! spec=15NN...12AB, no=217, id=1250, vol=2.308075e+06
assign (segid "   D" and resid   64 and name   HN) (segid "   D" and resid   90 and name   HN) 4.327 2.340 2.340 weight 1.000 ! spec=15NN...12AB, no=218, id=1251, vol=3.217155e+05
assign (segid "   D" and resid   81 and name   HN) (segid "   D" and resid   80 and name   HN) 4.026 2.026 2.026 weight 1.000 ! spec=15NN...12AB, no=219, id=1252, vol=4.597951e+05
assign (segid "   D" and resid   81 and name   HN) (segid "   D" and resid   81 and name   HA) 2.923 1.068 1.068 weight 1.000 ! spec=15NN...12AB, no=221, id=1253, vol=1.041532e+06
assign (segid "   D" and resid   81 and name   HN) (segid "   D" and resid   80 and name   HA) 2.379 0.708 0.708 weight 1.000 ! spec=15NN...12AB, no=222, id=1254, vol=4.131024e+06
assign (segid "   D" and resid   81 and name   HN) (segid "   D" and resid   80 and name  HB2) 2.716 0.922 0.922 weight 1.000 ! spec=15NN...12AB, no=223, id=1255, vol=1.435736e+06
assign (segid "   D" and resid   81 and name   HN) (segid "   D" and resid   81 and name   HB) 2.385 0.711 0.711 weight 1.000 ! spec=15NN...12AB, no=224, id=1256, vol=3.311991e+06
assign (segid "   D" and resid   81 and name   HN) (segid "   D" and resid   81 and name HG12) 2.605 0.849 0.849 weight 1.000 ! spec=15NN...12AB, no=225, id=1257, vol=1.646947e+06
assign (segid "   D" and resid   81 and name   HN) (segid "   D" and resid   81 and name HG11) 3.831 1.835 1.835 weight 1.000 ! spec=15NN...12AB, no=226, id=1258, vol=1.285896e+06
assign (segid "   D" and resid   80 and name   HN) (segid "   D" and resid   80 and name  HD1) 3.660 1.675 1.675 weight 1.000 ! spec=15NN...12AB, no=228, id=1260, vol=7.620281e+05
    or (segid "   D" and resid   80 and name   HN) (segid "   D" and resid   80 and name  HD2)
assign (segid "   D" and resid   80 and name   HN) (segid "   D" and resid   79 and name   HA) 2.382 0.709 0.709 weight 1.000 ! spec=15NN...12AB, no=229, id=1261, vol=3.151937e+06
assign (segid "   D" and resid   80 and name   HN) (segid "   D" and resid   80 and name   HA) 2.983 1.113 1.113 weight 1.000 ! spec=15NN...12AB, no=230, id=1262, vol=1.091663e+06
assign (segid "   D" and resid   80 and name   HN) (segid "   D" and resid   80 and name  HB1) 3.205 1.284 1.284 weight 1.000 ! spec=15NN...12AB, no=231, id=1263, vol=9.158253e+05
assign (segid "   D" and resid   80 and name   HN) (segid "   D" and resid   79 and name  HB2) 4.037 2.037 2.037 weight 1.000 ! spec=15NN...12AB, no=232, id=1264, vol=7.676020e+05
assign (segid "   D" and resid   80 and name   HN) (segid "   D" and resid   79 and name  HB1) 3.649 1.665 1.665 weight 1.000 ! spec=15NN...12AB, no=233, id=1265, vol=7.618900e+05
assign (segid "   D" and resid   80 and name   HN) (segid "   D" and resid   79 and name HD12) 3.049 1.162 1.162 weight 1.000 ! spec=15NN...12AB, no=234, id=1266, vol=1.434382e+06
    or (segid "   D" and resid   80 and name   HN) (segid "   D" and resid   79 and name HD11)
    or (segid "   D" and resid   80 and name   HN) (segid "   D" and resid   79 and name HD13)
assign (segid "   D" and resid   79 and name   HN) (segid "   D" and resid   79 and name  HB2) 2.641 0.872 0.872 weight 1.000 ! spec=15NN...12AB, no=235, id=1267, vol=1.953652e+06
assign (segid "   D" and resid   79 and name   HN) (segid "   D" and resid   78 and name  HB1) 3.675 1.689 1.689 weight 1.000 ! spec=15NN...12AB, no=236, id=1268, vol=1.175231e+06
assign (segid "   D" and resid   79 and name   HN) (segid "   D" and resid   79 and name   HA) 3.031 1.148 1.148 weight 1.000 ! spec=15NN...12AB, no=237, id=1269, vol=8.543458e+05
assign (segid "   D" and resid   79 and name   HN) (segid "   D" and resid   78 and name   HA) 4.020 2.020 2.020 weight 1.000 ! spec=15NN...12AB, no=238, id=1270, vol=3.976390e+05
assign (segid "   D" and resid   79 and name   HN) (segid "   D" and resid   77 and name   HN) 4.689 2.748 2.748 weight 1.000 ! spec=15NN...12AB, no=240, id=1272, vol=2.796786e+05
assign (segid "   D" and resid   78 and name   HN) (segid "   D" and resid   78 and name   HA) 3.129 1.224 1.224 weight 1.000 ! spec=15NN...12AB, no=242, id=1274, vol=9.911949e+05
assign (segid "   D" and resid   78 and name   HN) (segid "   D" and resid   77 and name  HA2) 3.301 1.362 1.362 weight 1.000 ! spec=15NN...12AB, no=244, id=1275, vol=8.620690e+05
assign (segid "   D" and resid   78 and name   HN) (segid "   D" and resid   78 and name  HG2) 2.822 0.995 0.995 weight 1.000 ! spec=15NN...12AB, no=245, id=1276, vol=2.123928e+06
assign (segid "   D" and resid   78 and name   HN) (segid "   D" and resid   91 and name HG21) 4.212 2.217 2.217 weight 1.000 ! spec=15NN...12AB, no=246, id=1277, vol=5.055418e+05
    or (segid "   D" and resid   78 and name   HN) (segid "   D" and resid   91 and name HG22)
    or (segid "   D" and resid   78 and name   HN) (segid "   D" and resid   91 and name HG23)
assign (segid "   D" and resid   78 and name   HN) (segid "   D" and resid   78 and name  HB2) 2.809 0.986 0.986 weight 1.000 ! spec=15NN...12AB, no=247, id=1278, vol=1.967170e+06
assign (segid "   D" and resid   79 and name   HN) (segid "   D" and resid   78 and name   HN) 2.462 0.758 0.758 weight 1.000 ! spec=15NN...12AB, no=248, id=1279, vol=2.608819e+06
assign (segid "   D" and resid   78 and name   HN) (segid "   D" and resid   77 and name   HN) 3.089 1.193 1.193 weight 1.000 ! spec=15NN...12AB, no=249, id=1280, vol=8.487833e+05
assign (segid "   D" and resid   77 and name   HN) (segid "   D" and resid   76 and name   HA) 2.366 0.700 0.700 weight 1.000 ! spec=15NN...12AB, no=250, id=1281, vol=3.502338e+06
assign (segid "   D" and resid   33 and name   HN) (segid "   D" and resid   31 and name  HB1) 2.419 0.731 0.731 weight 1.000 ! spec=15NN...12AB, no=253, id=1282, vol=3.388042e+06
assign (segid "   D" and resid   33 and name   HN) (segid "   D" and resid   32 and name  HB2) 2.485 0.772 0.772 weight 1.000 ! spec=15NN...12AB, no=255, id=1284, vol=2.906746e+06
    or (segid "   D" and resid   33 and name   HN) (segid "   D" and resid   32 and name  HB1)
    or (segid "   D" and resid   33 and name   HN) (segid "   D" and resid   32 and name  HB3)
assign (segid "   D" and resid   33 and name   HN) (segid "   D" and resid   34 and name   HN) 2.685 0.901 0.901 weight 1.000 ! spec=15NN...12AB, no=256, id=1285, vol=1.888425e+06
assign (segid "   D" and resid   25 and name   HN) (segid "   D" and resid   26 and name   HN) 3.028 1.146 1.146 weight 1.000 ! spec=15NN...12AB, no=257, id=1286, vol=1.079283e+06
assign (segid "   D" and resid   33 and name   HN) (segid "   D" and resid   32 and name   HN) 2.690 0.905 0.905 weight 1.000 ! spec=15NN...12AB, no=258, id=1287, vol=1.702200e+06
assign (segid "   D" and resid   76 and name   HN) (segid "   D" and resid   76 and name   HA) 2.774 0.962 0.962 weight 1.000 ! spec=15NN...12AB, no=263, id=1288, vol=1.608000e+06
assign (segid "   D" and resid   76 and name   HN) (segid "   D" and resid   75 and name   HA) 3.351 1.404 1.404 weight 1.000 ! spec=15NN...12AB, no=264, id=1289, vol=7.319312e+05
assign (segid "   D" and resid   76 and name   HN) (segid "   D" and resid   76 and name  HB2) 2.195 0.602 0.602 weight 1.000 ! spec=15NN...12AB, no=267, id=1291, vol=6.078782e+06
assign (segid "   D" and resid   76 and name   HN) (segid "   D" and resid   75 and name  HG1) 3.028 1.146 1.146 weight 1.000 ! spec=15NN...12AB, no=268, id=1292, vol=1.102272e+06
assign (segid "   D" and resid   75 and name   HN) (segid "   D" and resid   75 and name  HD1) 4.291 2.302 2.302 weight 1.000 ! spec=15NN...12AB, no=270, id=1294, vol=4.633339e+05
assign (segid "   D" and resid   75 and name   HN) (segid "   D" and resid   75 and name   HA) 2.773 0.961 0.961 weight 1.000 ! spec=15NN...12AB, no=271, id=1295, vol=1.913597e+06
assign (segid "   D" and resid   75 and name   HN) (segid "   D" and resid   76 and name   HA) 4.823 2.907 2.907 weight 1.000 ! spec=15NN...12AB, no=272, id=1296, vol=3.600777e+05
assign (segid "   D" and resid   75 and name   HN) (segid "   D" and resid   74 and name   HA) 3.273 1.339 1.339 weight 1.000 ! spec=15NN...12AB, no=276, id=1299, vol=5.786285e+05
assign (segid "   D" and resid   75 and name   HN) (segid "   D" and resid   76 and name   HN) 2.518 0.793 0.793 weight 1.000 ! spec=15NN...12AB, no=277, id=1300, vol=1.718542e+06
assign (segid "   D" and resid   74 and name   HN) (segid "   D" and resid   74 and name   HA) 3.086 1.190 1.190 weight 1.000 ! spec=15NN...12AB, no=278, id=1301, vol=1.007717e+06
assign (segid "   D" and resid   74 and name   HN) (segid "   D" and resid   73 and name   HA) 3.441 1.480 1.480 weight 1.000 ! spec=15NN...12AB, no=279, id=1302, vol=8.083449e+05
assign (segid "   D" and resid   74 and name   HN) (segid "   D" and resid   74 and name  HB1) 3.656 1.671 1.671 weight 1.000 ! spec=15NN...12AB, no=280, id=1303, vol=1.395351e+06
assign (segid "   D" and resid   74 and name   HN) (segid "   D" and resid   74 and name  HB2) 2.590 0.838 0.838 weight 1.000 ! spec=15NN...12AB, no=281, id=1304, vol=1.729956e+06
assign (segid "   D" and resid   74 and name   HN) (segid "   D" and resid   71 and name  HB2) 3.997 1.997 1.997 weight 1.000 ! spec=15NN...12AB, no=283, id=1305, vol=3.002511e+05
assign (segid "   D" and resid   74 and name   HN) (segid "   D" and resid   71 and name   HN) 3.811 1.816 1.816 weight 1.000 ! spec=15NN...12AB, no=285, id=1307, vol=2.850418e+05
assign (segid "   D" and resid   74 and name   HN) (segid "   D" and resid   73 and name  HG1) 4.643 2.695 2.695 weight 1.000 ! spec=15NN...12AB, no=286, id=1308, vol=4.439901e+05
assign (segid "   D" and resid   74 and name   HN) (segid "   D" and resid   72 and name  HG2) 4.765 2.838 2.838 weight 1.000 ! spec=15NN...12AB, no=288, id=1309, vol=3.647365e+05
assign (segid "   D" and resid   73 and name   HN) (segid "   D" and resid   73 and name  HG2) 3.596 1.616 1.616 weight 1.000 ! spec=15NN...12AB, no=291, id=1310, vol=1.186892e+06
assign (segid "   D" and resid   73 and name   HN) (segid "   D" and resid   73 and name  HB2) 2.241 0.628 0.628 weight 1.000 ! spec=15NN...12AB, no=292, id=1311, vol=4.755572e+06
assign (segid "   D" and resid   73 and name   HN) (segid "   D" and resid   71 and name  HB2) 3.339 1.393 1.393 weight 1.000 ! spec=15NN...12AB, no=293, id=1312, vol=4.700599e+05
assign (segid "   D" and resid   73 and name   HN) (segid "   D" and resid   72 and name   HA) 2.945 1.084 1.084 weight 1.000 ! spec=15NN...12AB, no=294, id=1313, vol=1.104747e+06
assign (segid "   D" and resid   73 and name   HN) (segid "   D" and resid   73 and name   HA) 2.678 0.896 0.896 weight 1.000 ! spec=15NN...12AB, no=295, id=1314, vol=2.551237e+06
assign (segid "   D" and resid   73 and name   HN) (segid "   D" and resid   71 and name   HA) 3.546 1.572 1.572 weight 1.000 ! spec=15NN...12AB, no=296, id=1315, vol=8.139958e+05
assign (segid "   D" and resid   74 and name   HN) (segid "   D" and resid   73 and name   HN) 2.482 0.770 0.770 weight 1.000 ! spec=15NN...12AB, no=297, id=1316, vol=2.770315e+06
assign (segid "   D" and resid   73 and name   HN) (segid "   D" and resid   72 and name   HN) 2.715 0.922 0.922 weight 1.000 ! spec=15NN...12AB, no=298, id=1317, vol=1.407082e+06
assign (segid "   D" and resid   72 and name   HN) (segid "   D" and resid   71 and name   HA) 2.243 0.629 0.629 weight 1.000 ! spec=15NN...12AB, no=302, id=1319, vol=3.362250e+06
assign (segid "   D" and resid   72 and name   HN) (segid "   D" and resid   71 and name  HB1) 3.380 1.428 1.428 weight 1.000 ! spec=15NN...12AB, no=303, id=1320, vol=2.887646e+06
assign (segid "   D" and resid   72 and name   HN) (segid "   D" and resid   71 and name  HB2) 2.506 0.785 0.785 weight 1.000 ! spec=15NN...12AB, no=304, id=1321, vol=1.593089e+06
assign (segid "   D" and resid   72 and name   HN) (segid "   D" and resid   72 and name  HB2) 2.370 0.702 0.702 weight 1.000 ! spec=15NN...12AB, no=305, id=1322, vol=3.856308e+06
assign (segid "   D" and resid   72 and name   HN) (segid "   D" and resid   72 and name  HG1) 2.267 0.642 0.642 weight 1.000 ! spec=15NN...12AB, no=306, id=1323, vol=2.237698e+06
assign (segid "   D" and resid   71 and name   HN) (segid "   D" and resid   70 and name   HA) 2.430 0.738 0.738 weight 1.000 ! spec=15NN...12AB, no=307, id=1324, vol=2.576872e+06
assign (segid "   D" and resid   71 and name   HN) (segid "   D" and resid   71 and name   HA) 3.073 1.180 1.180 weight 1.000 ! spec=15NN...12AB, no=308, id=1325, vol=6.839549e+05
assign (segid "   D" and resid   71 and name   HN) (segid "   D" and resid   52 and name   HA) 3.607 1.626 1.626 weight 1.000 ! spec=15NN...12AB, no=309, id=1326, vol=8.055726e+05
assign (segid "   D" and resid   71 and name   HN) (segid "   D" and resid   52 and name  HB2) 2.554 0.815 0.815 weight 1.000 ! spec=15NN...12AB, no=310, id=1327, vol=1.655294e+06
assign (segid "   D" and resid   71 and name   HN) (segid "   D" and resid   70 and name  HB2) 3.750 1.758 1.758 weight 1.000 ! spec=15NN...12AB, no=311, id=1328, vol=8.860432e+05
assign (segid "   D" and resid   71 and name   HN) (segid "   D" and resid   70 and name  HB1) 3.189 1.271 1.271 weight 1.000 ! spec=15NN...12AB, no=313, id=1330, vol=5.799864e+05
assign (segid "   D" and resid   71 and name   HN) (segid "   D" and resid   55 and name   HN) 3.908 1.909 1.909 weight 1.000 ! spec=15NN...12AB, no=315, id=1331, vol=4.724308e+05
assign (segid "   D" and resid   71 and name   HN) (segid "   D" and resid   70 and name   HN) 4.130 2.132 2.132 weight 1.000 ! spec=15NN...12AB, no=316, id=1332, vol=4.227191e+05
assign (segid "   D" and resid   70 and name   HN) (segid "   D" and resid   70 and name  HB1) 3.811 1.815 1.815 weight 1.000 ! spec=15NN...12AB, no=319, id=1334, vol=7.951249e+05
assign (segid "   D" and resid   70 and name   HN) (segid "   D" and resid   69 and name  HB1) 3.819 1.823 1.823 weight 1.000 ! spec=15NN...12AB, no=320, id=1335, vol=1.421177e+06
assign (segid "   D" and resid   70 and name   HN) (segid "   D" and resid   61 and name  HB2) 3.638 1.654 1.654 weight 1.000 ! spec=15NN...12AB, no=321, id=1336, vol=4.812407e+05
assign (segid "   D" and resid   70 and name   HN) (segid "   D" and resid   69 and name   HA) 2.522 0.795 0.795 weight 1.000 ! spec=15NN...12AB, no=322, id=1337, vol=2.739493e+06
assign (segid "   D" and resid   70 and name   HN) (segid "   D" and resid   71 and name   HA) 4.107 2.109 2.109 weight 1.000 ! spec=15NN...12AB, no=323, id=1338, vol=3.250823e+05
assign (segid "   D" and resid   70 and name   HN) (segid "   D" and resid   70 and name   HA) 3.255 1.325 1.325 weight 1.000 ! spec=15NN...12AB, no=324, id=1339, vol=5.784824e+05
assign (segid "   D" and resid   70 and name   HN) (segid "   D" and resid   62 and name  HD1) 4.611 2.658 2.658 weight 1.000 ! spec=15NN...12AB, no=325, id=1340, vol=3.930742e+05
    or (segid "   D" and resid   70 and name   HN) (segid "   D" and resid   62 and name  HD2)
assign (segid "   D" and resid   70 and name   HN) (segid "   D" and resid   61 and name   HN) 3.035 1.152 1.152 weight 1.000 ! spec=15NN...12AB, no=326, id=1341, vol=9.433962e+05
assign (segid "   D" and resid   70 and name   HN) (segid "   D" and resid   62 and name  HE1) 3.511 1.541 2.489 weight 1.000 ! spec=15NN...12AB, no=328, id=1342, vol=4.910821e+05
    or (segid "   D" and resid   70 and name   HN) (segid "   D" and resid   62 and name  HE2)
assign (segid "   D" and resid   70 and name   HN) (segid "   D" and resid   63 and name   HN) 4.625 2.674 2.674 weight 1.000 ! spec=15NN...12AB, no=329, id=1343, vol=3.489956e+05
assign (segid "   D" and resid   70 and name   HN) (segid "   D" and resid   61 and name   HG) 3.547 1.573 1.573 weight 1.000 ! spec=15NN...12AB, no=330, id=1344, vol=3.016581e+05
assign (segid "   D" and resid   70 and name   HN) (segid "   D" and resid   59 and name  HB2) 2.882 1.038 1.038 weight 1.000 ! spec=15NN...12AB, no=331, id=1345, vol=1.636366e+06
    or (segid "   D" and resid   70 and name   HN) (segid "   D" and resid   59 and name  HB1)
    or (segid "   D" and resid   70 and name   HN) (segid "   D" and resid   59 and name  HB3)
assign (segid "   D" and resid   69 and name   HN) (segid "   D" and resid   49 and name  HD1) 3.691 1.703 1.703 weight 1.000 ! spec=15NN...12AB, no=333, id=1346, vol=5.636881e+05
assign (segid "   D" and resid   69 and name   HN) (segid "   D" and resid   53 and name   HN) 3.346 1.399 1.399 weight 1.000 ! spec=15NN...12AB, no=334, id=1347, vol=6.365345e+05
assign (segid "   D" and resid   69 and name   HN) (segid "   D" and resid   68 and name   HA) 2.228 0.621 0.621 weight 1.000 ! spec=15NN...12AB, no=336, id=1349, vol=5.242938e+06
assign (segid "   D" and resid   69 and name   HN) (segid "   D" and resid   69 and name   HA) 2.976 1.107 1.107 weight 1.000 ! spec=15NN...12AB, no=338, id=1350, vol=1.064605e+06
assign (segid "   D" and resid   69 and name   HN) (segid "   D" and resid   68 and name  HB1) 3.405 1.449 1.449 weight 1.000 ! spec=15NN...12AB, no=339, id=1351, vol=8.515705e+05
assign (segid "   D" and resid   69 and name   HN) (segid "   D" and resid   68 and name  HB2) 4.028 2.028 2.028 weight 1.000 ! spec=15NN...12AB, no=340, id=1352, vol=8.560768e+05
assign (segid "   D" and resid   69 and name   HN) (segid "   D" and resid   53 and name  HB2) 3.593 1.613 1.613 weight 1.000 ! spec=15NN...12AB, no=341, id=1353, vol=3.182314e+05
assign (segid "   D" and resid   69 and name   HN) (segid "   D" and resid   53 and name  HB1) 4.234 2.240 2.240 weight 1.000 ! spec=15NN...12AB, no=342, id=1354, vol=4.506303e+05
assign (segid "   D" and resid   69 and name   HN) (segid "   D" and resid   69 and name  HB1) 3.808 1.812 1.812 weight 1.000 ! spec=15NN...12AB, no=343, id=1355, vol=4.009947e+05
assign (segid "   D" and resid   68 and name   HN) (segid "   D" and resid   68 and name   HA) 2.968 1.101 1.101 weight 1.000 ! spec=15NN...12AB, no=344, id=1356, vol=1.347157e+06
assign (segid "   D" and resid   68 and name   HN) (segid "   D" and resid   67 and name   HA) 3.282 1.346 1.346 weight 1.000 ! spec=15NN...12AB, no=345, id=1357, vol=7.321802e+05
assign (segid "   D" and resid   68 and name   HN) (segid "   D" and resid   68 and name   HG) 3.568 1.592 1.592 weight 1.000 ! spec=15NN...12AB, no=346, id=1358, vol=1.026777e+06
assign (segid "   D" and resid   68 and name   HN) (segid "   D" and resid   68 and name  HB1) 3.336 1.391 1.391 weight 1.000 ! spec=15NN...12AB, no=347, id=1359, vol=2.583565e+06
assign (segid "   D" and resid   68 and name   HN) (segid "   D" and resid   68 and name  HB2) 2.720 0.925 0.925 weight 1.000 ! spec=15NN...12AB, no=348, id=1360, vol=1.633641e+06
assign (segid "   D" and resid   68 and name   HN) (segid "   D" and resid   67 and name  HG1) 4.074 2.075 2.075 weight 1.000 ! spec=15NN...12AB, no=351, id=1363, vol=5.467579e+05
assign (segid "   D" and resid   69 and name   HN) (segid "   D" and resid   68 and name   HN) 4.541 2.577 2.577 weight 1.000 ! spec=15NN...12AB, no=354, id=1364, vol=4.095976e+05
assign (segid "   D" and resid   68 and name   HN) (segid "   D" and resid   66 and name   HN) 3.712 1.723 1.723 weight 1.000 ! spec=15NN...12AB, no=357, id=1365, vol=3.759246e+05
assign (segid "   D" and resid   64 and name   HN) (segid "   D" and resid   65 and name   HN) 2.714 0.921 0.921 weight 1.000 ! spec=15NN...12AB, no=358, id=1366, vol=1.250752e+06
assign (segid "   D" and resid   65 and name   HN) (segid "   D" and resid   64 and name   HA) 3.304 1.364 1.364 weight 1.000 ! spec=15NN...12AB, no=360, id=1368, vol=5.756450e+05
assign (segid "   D" and resid   65 and name   HN) (segid "   D" and resid   65 and name   HA) 3.054 1.166 1.166 weight 1.000 ! spec=15NN...12AB, no=361, id=1369, vol=9.791171e+05
assign (segid "   D" and resid   65 and name   HN) (segid "   D" and resid   63 and name   HA) 3.433 1.473 1.473 weight 1.000 ! spec=15NN...12AB, no=362, id=1370, vol=6.722709e+05
assign (segid "   D" and resid   65 and name   HN) (segid "   D" and resid   66 and name  HB2) 4.748 2.817 2.817 weight 1.000 ! spec=15NN...12AB, no=363, id=1371, vol=5.044937e+05
assign (segid "   D" and resid   65 and name   HN) (segid "   D" and resid   65 and name  HG1) 2.921 1.066 1.066 weight 1.000 ! spec=15NN...12AB, no=364, id=1372, vol=9.776565e+05
assign (segid "   D" and resid   65 and name   HN) (segid "   D" and resid   65 and name  HB1) 3.823 1.827 1.827 weight 1.000 ! spec=15NN...12AB, no=365, id=1373, vol=9.698951e+05
assign (segid "   D" and resid   65 and name   HN) (segid "   D" and resid   65 and name  HB2) 2.723 0.927 0.927 weight 1.000 ! spec=15NN...12AB, no=366, id=1374, vol=1.239040e+06
assign (segid "   D" and resid   63 and name   HN) (segid "   D" and resid   79 and name HD22) 3.026 1.145 1.145 weight 1.000 ! spec=15NN...12AB, no=367, id=1375, vol=9.212764e+05
    or (segid "   D" and resid   63 and name   HN) (segid "   D" and resid   79 and name HD21)
    or (segid "   D" and resid   63 and name   HN) (segid "   D" and resid   79 and name HD23)
assign (segid "   D" and resid   63 and name   HN) (segid "   D" and resid   69 and name  HB1) 3.939 1.940 1.940 weight 1.000 ! spec=15NN...12AB, no=368, id=1376, vol=4.278491e+05
assign (segid "   D" and resid   63 and name   HN) (segid "   D" and resid   62 and name  HB2) 4.404 2.425 2.425 weight 1.000 ! spec=15NN...12AB, no=370, id=1378, vol=4.181710e+05
assign (segid "   D" and resid   63 and name   HN) (segid "   D" and resid   49 and name  HD1) 4.341 2.355 2.355 weight 1.000 ! spec=15NN...12AB, no=373, id=1380, vol=2.786244e+05
assign (segid "   D" and resid   49 and name  HE1) (segid "   D" and resid   63 and name   HN) 3.639 1.655 1.655 weight 1.000 ! spec=15NN...12AB, no=374, id=1381, vol=3.682089e+05
assign (segid "   D" and resid   62 and name   HN) (segid "   D" and resid   88 and name HD12) 2.774 0.962 0.962 weight 1.000 ! spec=15NN...12AB, no=375, id=1382, vol=1.274191e+06
    or (segid "   D" and resid   62 and name   HN) (segid "   D" and resid   88 and name HD11)
    or (segid "   D" and resid   62 and name   HN) (segid "   D" and resid   88 and name HD13)
assign (segid "   D" and resid   62 and name   HN) (segid "   D" and resid   62 and name  HB2) 2.833 1.004 1.004 weight 1.000 ! spec=15NN...12AB, no=376, id=1383, vol=1.378735e+06
assign (segid "   D" and resid   62 and name   HN) (segid "   D" and resid   61 and name  HB2) 2.923 1.068 1.068 weight 1.000 ! spec=15NN...12AB, no=378, id=1385, vol=8.999829e+05
assign (segid "   D" and resid   62 and name   HN) (segid "   D" and resid   61 and name   HA) 2.398 0.719 0.719 weight 1.000 ! spec=15NN...12AB, no=379, id=1386, vol=3.799907e+06
assign (segid "   D" and resid   62 and name   HN) (segid "   D" and resid   62 and name   HA) 2.929 1.072 1.072 weight 1.000 ! spec=15NN...12AB, no=380, id=1387, vol=1.108199e+06
assign (segid "   D" and resid   62 and name   HN) (segid "   D" and resid   62 and name  HE1) 4.190 2.195 2.195 weight 1.000 ! spec=15NN...12AB, no=381, id=1388, vol=4.245934e+05
    or (segid "   D" and resid   62 and name   HN) (segid "   D" and resid   62 and name  HE2)
assign (segid "   D" and resid   62 and name   HN) (segid "   D" and resid   62 and name  HD1) 3.274 1.340 1.340 weight 1.000 ! spec=15NN...12AB, no=382, id=1389, vol=1.682832e+06
    or (segid "   D" and resid   62 and name   HN) (segid "   D" and resid   62 and name  HD2)
assign (segid "   D" and resid   63 and name   HN) (segid "   D" and resid   62 and name   HN) 4.283 2.293 2.293 weight 1.000 ! spec=15NN...12AB, no=384, id=1390, vol=2.875961e+05
assign (segid "   D" and resid   61 and name   HN) (segid "   D" and resid   60 and name   HN) 2.122 0.563 0.563 weight 1.000 ! spec=15NN...12AB, no=385, id=1391, vol=4.278424e+06
assign (segid "   D" and resid   61 and name   HN) (segid "   D" and resid   71 and name   HA) 3.898 1.899 1.899 weight 1.000 ! spec=15NN...12AB, no=386, id=1392, vol=1.259994e+06
assign (segid "   D" and resid   61 and name   HN) (segid "   D" and resid   61 and name  HB2) 3.512 1.542 1.542 weight 1.000 ! spec=15NN...12AB, no=387, id=1393, vol=7.581175e+05
assign (segid "   D" and resid   61 and name   HN) (segid "   D" and resid   59 and name   HA) 3.986 1.986 1.986 weight 1.000 ! spec=15NN...12AB, no=388, id=1394, vol=1.253790e+06
assign (segid "   D" and resid   61 and name   HN) (segid "   D" and resid   61 and name  HB1) 2.684 0.901 0.901 weight 1.000 ! spec=15NN...12AB, no=390, id=1395, vol=1.288031e+06
assign (segid "   D" and resid   61 and name   HN) (segid "   D" and resid   75 and name  HD1) 3.378 1.426 1.426 weight 1.000 ! spec=15NN...12AB, no=391, id=1396, vol=4.026300e+05
assign (segid "   D" and resid   61 and name   HN) (segid "   D" and resid   59 and name  HB2) 3.203 1.283 1.283 weight 1.000 ! spec=15NN...12AB, no=392, id=1397, vol=1.410371e+06
    or (segid "   D" and resid   61 and name   HN) (segid "   D" and resid   59 and name  HB1)
    or (segid "   D" and resid   61 and name   HN) (segid "   D" and resid   59 and name  HB3)
assign (segid "   D" and resid   61 and name   HN) (segid "   D" and resid   60 and name  HB2) 2.791 0.974 0.974 weight 1.000 ! spec=15NN...12AB, no=394, id=1399, vol=1.798122e+06
    or (segid "   D" and resid   61 and name   HN) (segid "   D" and resid   60 and name  HB1)
    or (segid "   D" and resid   61 and name   HN) (segid "   D" and resid   60 and name  HB3)
assign (segid "   D" and resid   60 and name   HN) (segid "   D" and resid   59 and name   HA) 2.309 0.667 0.667 weight 1.000 ! spec=15NN...12AB, no=396, id=1400, vol=2.813714e+06
assign (segid "   D" and resid   60 and name   HN) (segid "   D" and resid   59 and name  HB2) 3.004 1.128 1.128 weight 1.000 ! spec=15NN...12AB, no=397, id=1401, vol=1.338009e+06
    or (segid "   D" and resid   60 and name   HN) (segid "   D" and resid   59 and name  HB1)
    or (segid "   D" and resid   60 and name   HN) (segid "   D" and resid   59 and name  HB3)
assign (segid "   D" and resid   60 and name   HN) (segid "   D" and resid   60 and name  HB2) 2.404 0.722 0.722 weight 1.000 ! spec=15NN...12AB, no=398, id=1402, vol=1.963250e+06
    or (segid "   D" and resid   60 and name   HN) (segid "   D" and resid   60 and name  HB1)
    or (segid "   D" and resid   60 and name   HN) (segid "   D" and resid   60 and name  HB3)
assign (segid "   D" and resid   60 and name   HN) (segid "   D" and resid   75 and name  HD1) 3.364 1.414 1.414 weight 1.000 ! spec=15NN...12AB, no=399, id=1403, vol=5.148678e+05
assign (segid "   D" and resid   60 and name   HN) (segid "   D" and resid   59 and name   HN) 4.216 2.222 2.222 weight 1.000 ! spec=15NN...12AB, no=402, id=1405, vol=4.109368e+05
assign (segid "   D" and resid   60 and name   HN) (segid "   D" and resid   75 and name  HD2) 4.567 2.608 2.608 weight 1.000 ! spec=15NN...12AB, no=403, id=1406, vol=3.499446e+05
assign (segid "   D" and resid   59 and name   HN) (segid "   D" and resid   51 and name   HA) 2.787 0.971 0.971 weight 1.000 ! spec=15NN...12AB, no=404, id=1407, vol=1.363749e+06
assign (segid "   D" and resid   59 and name   HN) (segid "   D" and resid   58 and name   HA) 2.110 0.557 0.557 weight 1.000 ! spec=15NN...12AB, no=405, id=1408, vol=6.307316e+06
assign (segid "   D" and resid   59 and name   HN) (segid "   D" and resid   59 and name   HA) 2.734 0.934 0.934 weight 1.000 ! spec=15NN...12AB, no=406, id=1409, vol=1.246144e+06
assign (segid "   D" and resid   59 and name   HN) (segid "   D" and resid   51 and name  HG2) 3.508 1.538 2.492 weight 1.000 ! spec=15NN...12AB, no=408, id=1411, vol=1.300759e+06
assign (segid "   D" and resid   59 and name   HN) (segid "   D" and resid   59 and name  HB2) 2.297 0.659 0.659 weight 1.000 ! spec=15NN...12AB, no=409, id=1412, vol=3.028882e+06
    or (segid "   D" and resid   59 and name   HN) (segid "   D" and resid   59 and name  HB1)
    or (segid "   D" and resid   59 and name   HN) (segid "   D" and resid   59 and name  HB3)
assign (segid "   D" and resid   58 and name   HN) (segid "   D" and resid   59 and name   HN) 3.987 1.987 1.987 weight 1.000 ! spec=15NN...12AB, no=413, id=1413, vol=6.257450e+05
assign (segid "   D" and resid   58 and name   HN) (segid "   D" and resid   57 and name   HA) 2.430 0.738 0.738 weight 1.000 ! spec=15NN...12AB, no=414, id=1414, vol=4.853235e+06
assign (segid "   D" and resid   58 and name   HN) (segid "   D" and resid   58 and name   HA) 2.510 0.787 0.787 weight 1.000 ! spec=15NN...12AB, no=415, id=1415, vol=2.317080e+06
assign (segid "   D" and resid   58 and name   HN) (segid "   D" and resid   58 and name  HG1) 3.864 1.866 1.866 weight 1.000 ! spec=15NN...12AB, no=416, id=1416, vol=1.215127e+06
assign (segid "   D" and resid   58 and name   HN) (segid "   D" and resid   57 and name  HB2) 2.465 0.759 0.759 weight 1.000 ! spec=15NN...12AB, no=417, id=1417, vol=1.034344e+07
assign (segid "   D" and resid   57 and name   HN) (segid "   D" and resid   57 and name   HA) 2.642 0.872 0.872 weight 1.000 ! spec=15NN...12AB, no=419, id=1419, vol=2.513802e+06
assign (segid "   D" and resid   57 and name   HN) (segid "   D" and resid   56 and name  HA1) 3.366 1.416 1.416 weight 1.000 ! spec=15NN...12AB, no=420, id=1420, vol=7.095514e+05
assign (segid "   D" and resid   57 and name   HN) (segid "   D" and resid   52 and name  HB2) 3.444 1.483 1.483 weight 1.000 ! spec=15NN...12AB, no=421, id=1421, vol=1.932478e+06
assign (segid "   D" and resid   57 and name   HN) (segid "   D" and resid   52 and name  HB1) 2.672 0.892 0.892 weight 1.000 ! spec=15NN...12AB, no=422, id=1422, vol=1.300125e+06
assign (segid "   D" and resid   57 and name   HN) (segid "   D" and resid   52 and name   HN) 3.767 1.774 1.774 weight 1.000 ! spec=15NN...12AB, no=424, id=1423, vol=4.697780e+05
assign (segid "   D" and resid   56 and name   HN) (segid "   D" and resid   55 and name   HA) 3.516 1.545 1.545 weight 1.000 ! spec=15NN...12AB, no=425, id=1424, vol=5.322863e+05
assign (segid "   D" and resid   56 and name   HN) (segid "   D" and resid   51 and name   HA) 4.967 3.085 3.085 weight 1.000 ! spec=15NN...12AB, no=426, id=1425, vol=3.780093e+05
assign (segid "   D" and resid   56 and name   HN) (segid "   D" and resid   56 and name  HA2) 2.424 0.735 0.735 weight 1.000 ! spec=15NN...12AB, no=427, id=1426, vol=2.488678e+06
assign (segid "   D" and resid   56 and name   HN) (segid "   D" and resid   56 and name  HA1) 2.777 0.964 0.964 weight 1.000 ! spec=15NN...12AB, no=428, id=1427, vol=3.268977e+06
assign (segid "   D" and resid   56 and name   HN) (segid "   D" and resid   52 and name  HB2) 3.879 1.880 1.880 weight 1.000 ! spec=15NN...12AB, no=429, id=1428, vol=1.693769e+06
assign (segid "   D" and resid   56 and name   HN) (segid "   D" and resid   52 and name  HB1) 2.646 0.875 0.875 weight 1.000 ! spec=15NN...12AB, no=430, id=1429, vol=1.150598e+06
assign (segid "   D" and resid   56 and name   HN) (segid "   D" and resid   54 and name HG12) 4.787 2.864 2.864 weight 1.000 ! spec=15NN...12AB, no=432, id=1431, vol=3.322711e+05
    or (segid "   D" and resid   56 and name   HN) (segid "   D" and resid   54 and name HG11)
    or (segid "   D" and resid   56 and name   HN) (segid "   D" and resid   54 and name HG13)
assign (segid "   D" and resid   56 and name   HN) (segid "   D" and resid   55 and name   HN) 2.407 0.724 0.724 weight 1.000 ! spec=15NN...12AB, no=433, id=1432, vol=2.337265e+06
assign (segid "   D" and resid   56 and name   HN) (segid "   D" and resid   52 and name   HN) 3.944 1.944 1.944 weight 1.000 ! spec=15NN...12AB, no=434, id=1433, vol=5.398006e+05
assign (segid "   D" and resid   55 and name   HN) (segid "   D" and resid   55 and name   HA) 3.016 1.137 1.137 weight 1.000 ! spec=15NN...12AB, no=435, id=1434, vol=1.069076e+06
assign (segid "   D" and resid   55 and name   HN) (segid "   D" and resid   56 and name  HA2) 4.918 3.024 3.024 weight 1.000 ! spec=15NN...12AB, no=436, id=1435, vol=4.231774e+05
assign (segid "   D" and resid   55 and name   HN) (segid "   D" and resid   56 and name  HA1) 4.359 2.375 2.375 weight 1.000 ! spec=15NN...12AB, no=437, id=1436, vol=1.025563e+06
assign (segid "   D" and resid   55 and name   HN) (segid "   D" and resid   52 and name  HB2) 3.749 1.757 1.757 weight 1.000 ! spec=15NN...12AB, no=438, id=1437, vol=1.109138e+06
assign (segid "   D" and resid   57 and name   HN) (segid "   D" and resid   55 and name   HN) 3.724 1.734 1.734 weight 1.000 ! spec=15NN...12AB, no=442, id=1441, vol=5.693850e+05
assign (segid "   D" and resid   55 and name   HN) (segid "   D" and resid   54 and name   HB) 2.321 0.673 0.673 weight 1.000 ! spec=15NN...12AB, no=444, id=1442, vol=2.737774e+06
assign (segid "   D" and resid   55 and name   HN) (segid "   D" and resid   54 and name HG12) 3.225 1.300 1.300 weight 1.000 ! spec=15NN...12AB, no=445, id=1443, vol=1.215739e+06
    or (segid "   D" and resid   55 and name   HN) (segid "   D" and resid   54 and name HG11)
    or (segid "   D" and resid   55 and name   HN) (segid "   D" and resid   54 and name HG13)
assign (segid "   D" and resid   55 and name   HN) (segid "   D" and resid   54 and name HG22) 3.889 1.891 1.891 weight 1.000 ! spec=15NN...12AB, no=446, id=1444, vol=8.547034e+05
    or (segid "   D" and resid   55 and name   HN) (segid "   D" and resid   54 and name HG21)
    or (segid "   D" and resid   55 and name   HN) (segid "   D" and resid   54 and name HG23)
assign (segid "   D" and resid   54 and name   HB) (segid "   D" and resid   54 and name   HN) 2.437 0.742 0.742 weight 1.000 ! spec=15NN...12AB, no=447, id=1445, vol=2.918435e+06
assign (segid "   D" and resid   54 and name HG22) (segid "   D" and resid   54 and name   HN) 2.580 0.832 0.832 weight 1.000 ! spec=15NN...12AB, no=448, id=1446, vol=2.665745e+06
    or (segid "   D" and resid   54 and name HG21) (segid "   D" and resid   54 and name   HN)
    or (segid "   D" and resid   54 and name HG23) (segid "   D" and resid   54 and name   HN)
assign (segid "   D" and resid   54 and name HG12) (segid "   D" and resid   54 and name   HN) 3.679 1.692 1.692 weight 1.000 ! spec=15NN...12AB, no=449, id=1447, vol=1.008564e+06
    or (segid "   D" and resid   54 and name HG11) (segid "   D" and resid   54 and name   HN)
    or (segid "   D" and resid   54 and name HG13) (segid "   D" and resid   54 and name   HN)
assign (segid "   D" and resid   54 and name   HN) (segid "   D" and resid   53 and name   HA) 3.428 1.469 1.469 weight 1.000 ! spec=15NN...12AB, no=450, id=1448, vol=6.542044e+05
assign (segid "   D" and resid   54 and name   HA) (segid "   D" and resid   54 and name   HN) 2.906 1.056 1.056 weight 1.000 ! spec=15NN...12AB, no=451, id=1449, vol=1.502752e+06
assign (segid "   D" and resid   54 and name   HN) (segid "   D" and resid   52 and name  HB2) 3.858 1.861 1.861 weight 1.000 ! spec=15NN...12AB, no=452, id=1450, vol=5.841788e+05
assign (segid "   D" and resid   54 and name   HN) (segid "   D" and resid   55 and name  HB1) 3.989 1.989 1.989 weight 1.000 ! spec=15NN...12AB, no=453, id=1451, vol=8.088716e+05
assign (segid "   D" and resid   54 and name   HN) (segid "   D" and resid   53 and name  HB1) 3.486 1.519 1.519 weight 1.000 ! spec=15NN...12AB, no=454, id=1452, vol=5.792043e+05
assign (segid "   D" and resid   55 and name   HN) (segid "   D" and resid   54 and name   HN) 2.559 0.818 0.818 weight 1.000 ! spec=15NN...12AB, no=455, id=1453, vol=2.311119e+06
assign (segid "   D" and resid   54 and name   HN) (segid "   D" and resid   53 and name   HN) 2.892 1.046 1.046 weight 1.000 ! spec=15NN...12AB, no=456, id=1454, vol=1.126026e+06
assign (segid "   D" and resid   53 and name   HN) (segid "   D" and resid   70 and name   HA) 3.135 1.228 1.228 weight 1.000 ! spec=15NN...12AB, no=460, id=1457, vol=9.829522e+05
assign (segid "   D" and resid   53 and name   HN) (segid "   D" and resid   71 and name   HN) 4.472 2.500 2.500 weight 1.000 ! spec=15NN...12AB, no=461, id=1458, vol=4.482185e+05
assign (segid "   D" and resid   53 and name   HN) (segid "   D" and resid   52 and name   HA) 2.262 0.640 0.640 weight 1.000 ! spec=15NN...12AB, no=462, id=1459, vol=3.832275e+06
assign (segid "   D" and resid   53 and name   HN) (segid "   D" and resid   52 and name  HB2) 4.357 2.373 2.373 weight 1.000 ! spec=15NN...12AB, no=464, id=1460, vol=4.857121e+05
assign (segid "   D" and resid   53 and name   HN) (segid "   D" and resid   70 and name  HB2) 4.782 2.858 2.858 weight 1.000 ! spec=15NN...12AB, no=465, id=1461, vol=3.036211e+05
assign (segid "   D" and resid   53 and name   HN) (segid "   D" and resid   53 and name  HB2) 2.883 1.039 1.039 weight 1.000 ! spec=15NN...12AB, no=466, id=1462, vol=1.362502e+06
assign (segid "   D" and resid   53 and name   HN) (segid "   D" and resid   53 and name  HB1) 2.844 1.011 1.011 weight 1.000 ! spec=15NN...12AB, no=467, id=1463, vol=1.559272e+06
assign (segid "   D" and resid   53 and name   HN) (segid "   D" and resid   54 and name   HB) 4.601 2.646 2.646 weight 1.000 ! spec=15NN...12AB, no=469, id=1464, vol=2.766463e+05
assign (segid "   D" and resid   53 and name   HN) (segid "   D" and resid   54 and name HG22) 3.977 1.977 1.977 weight 1.000 ! spec=15NN...12AB, no=470, id=1465, vol=3.192301e+05
    or (segid "   D" and resid   53 and name   HN) (segid "   D" and resid   54 and name HG21)
    or (segid "   D" and resid   53 and name   HN) (segid "   D" and resid   54 and name HG23)
assign (segid "   D" and resid   53 and name   HN) (segid "   D" and resid   59 and name  HB2) 4.366 2.382 2.382 weight 1.000 ! spec=15NN...12AB, no=471, id=1466, vol=3.220319e+05
    or (segid "   D" and resid   53 and name   HN) (segid "   D" and resid   59 and name  HB1)
    or (segid "   D" and resid   53 and name   HN) (segid "   D" and resid   59 and name  HB3)
assign (segid "   D" and resid   52 and name   HN) (segid "   D" and resid   51 and name   HA) 2.254 0.635 0.635 weight 1.000 ! spec=15NN...12AB, no=472, id=1467, vol=3.992067e+06
assign (segid "   D" and resid   52 and name   HN) (segid "   D" and resid   52 and name   HA) 2.863 1.024 1.024 weight 1.000 ! spec=15NN...12AB, no=473, id=1468, vol=1.246476e+06
assign (segid "   D" and resid   52 and name   HN) (segid "   D" and resid   52 and name  HB2) 2.561 0.820 0.820 weight 1.000 ! spec=15NN...12AB, no=474, id=1469, vol=2.378322e+06
assign (segid "   D" and resid   52 and name   HN) (segid "   D" and resid   52 and name  HB1) 2.445 0.747 0.747 weight 1.000 ! spec=15NN...12AB, no=475, id=1470, vol=2.302917e+06
assign (segid "   D" and resid   52 and name   HN) (segid "   D" and resid   51 and name  HG1) 4.705 2.768 2.768 weight 1.000 ! spec=15NN...12AB, no=476, id=1471, vol=5.811949e+05
assign (segid "   D" and resid   52 and name   HN) (segid "   D" and resid   51 and name  HG2) 3.937 1.938 1.938 weight 1.000 ! spec=15NN...12AB, no=477, id=1472, vol=1.296671e+06
assign (segid "   D" and resid   52 and name   HN) (segid "   D" and resid   51 and name  HB1) 3.213 1.290 1.290 weight 1.000 ! spec=15NN...12AB, no=478, id=1473, vol=9.933736e+05
assign (segid "   D" and resid   52 and name   HN) (segid "   D" and resid   59 and name  HB2) 3.484 1.517 1.517 weight 1.000 ! spec=15NN...12AB, no=479, id=1474, vol=4.634340e+05
    or (segid "   D" and resid   52 and name   HN) (segid "   D" and resid   59 and name  HB1)
    or (segid "   D" and resid   52 and name   HN) (segid "   D" and resid   59 and name  HB3)
assign (segid "   D" and resid   52 and name   HN) (segid "   D" and resid   59 and name   HN) 3.564 1.588 1.588 weight 1.000 ! spec=15NN...12AB, no=482, id=1475, vol=5.680763e+05
assign (segid "   D" and resid   51 and name   HN) (segid "   D" and resid   51 and name   HA) 2.840 1.008 1.008 weight 1.000 ! spec=15NN...12AB, no=486, id=1476, vol=1.454339e+06
assign (segid "   D" and resid   51 and name   HN) (segid "   D" and resid   51 and name  HG1) 4.413 2.434 2.434 weight 1.000 ! spec=15NN...12AB, no=488, id=1477, vol=5.982756e+05
assign (segid "   D" and resid   51 and name   HN) (segid "   D" and resid   50 and name  HB2) 3.936 1.937 1.937 weight 1.000 ! spec=15NN...12AB, no=489, id=1478, vol=3.732075e+05
assign (segid "   D" and resid   51 and name   HN) (segid "   D" and resid   51 and name  HG2) 2.665 0.888 0.888 weight 1.000 ! spec=15NN...12AB, no=490, id=1479, vol=1.728915e+06
assign (segid "   D" and resid   51 and name   HN) (segid "   D" and resid   51 and name  HB2) 3.248 1.319 1.319 weight 1.000 ! spec=15NN...12AB, no=491, id=1480, vol=7.874815e+05
assign (segid "   D" and resid   51 and name   HN) (segid "   D" and resid   59 and name  HB2) 3.355 1.407 1.407 weight 1.000 ! spec=15NN...12AB, no=492, id=1481, vol=4.713860e+05
    or (segid "   D" and resid   51 and name   HN) (segid "   D" and resid   59 and name  HB1)
    or (segid "   D" and resid   51 and name   HN) (segid "   D" and resid   59 and name  HB3)
assign (segid "   D" and resid   51 and name   HN) (segid "   D" and resid   50 and name  HD2) 4.616 2.663 2.663 weight 1.000 ! spec=15NN...12AB, no=493, id=1482, vol=4.043607e+05
assign (segid "   D" and resid   19 and name   HN) (segid "   D" and resid   18 and name   HA) 2.231 0.622 0.622 weight 1.000 ! spec=15NN...12AB, no=497, id=1483, vol=4.149056e+06
assign (segid "   D" and resid   19 and name   HN) (segid "   D" and resid   19 and name   HB) 2.982 1.111 1.111 weight 1.000 ! spec=15NN...12AB, no=498, id=1484, vol=1.052803e+06
assign (segid "   D" and resid   19 and name   HN) (segid "   D" and resid   29 and name   HB) 4.010 2.010 2.010 weight 1.000 ! spec=15NN...12AB, no=499, id=1485, vol=5.626244e+05
assign (segid "   D" and resid   19 and name   HN) (segid "   D" and resid   18 and name  HB2) 3.803 1.808 1.808 weight 1.000 ! spec=15NN...12AB, no=500, id=1486, vol=8.286217e+05
assign (segid "   D" and resid   19 and name   HN) (segid "   D" and resid   18 and name  HB1) 2.738 0.937 0.937 weight 1.000 ! spec=15NN...12AB, no=501, id=1487, vol=1.218338e+06
assign (segid "   D" and resid   19 and name   HN) (segid "   D" and resid   19 and name HG12) 2.305 0.664 0.664 weight 1.000 ! spec=15NN...12AB, no=503, id=1488, vol=2.962008e+06
    or (segid "   D" and resid   19 and name   HN) (segid "   D" and resid   19 and name HG11)
    or (segid "   D" and resid   19 and name   HN) (segid "   D" and resid   19 and name HG13)
assign (segid "   D" and resid   19 and name   HN) (segid "   D" and resid   18 and name   HG) 4.276 2.286 2.286 weight 1.000 ! spec=15NN...12AB, no=504, id=1489, vol=5.732111e+05
assign (segid "   D" and resid   19 and name   HN) (segid "   D" and resid   18 and name HD22) 3.536 1.563 1.563 weight 1.000 ! spec=15NN...12AB, no=505, id=1490, vol=9.062096e+05
    or (segid "   D" and resid   19 and name   HN) (segid "   D" and resid   18 and name HD21)
    or (segid "   D" and resid   19 and name   HN) (segid "   D" and resid   18 and name HD23)
assign (segid "   D" and resid   50 and name   HN) (segid "   D" and resid   50 and name   HA) 3.099 1.200 1.200 weight 1.000 ! spec=15NN...12AB, no=508, id=1493, vol=1.027670e+06
assign (segid "   D" and resid   50 and name   HN) (segid "   D" and resid   50 and name  HB1) 3.965 1.965 1.965 weight 1.000 ! spec=15NN...12AB, no=509, id=1494, vol=8.847566e+05
assign (segid "   D" and resid   50 and name   HN) (segid "   D" and resid   50 and name  HB2) 2.725 0.928 0.928 weight 1.000 ! spec=15NN...12AB, no=510, id=1495, vol=1.865664e+06
assign (segid "   D" and resid   50 and name   HN) (segid "   D" and resid   49 and name  HB1) 3.379 1.427 1.427 weight 1.000 ! spec=15NN...12AB, no=511, id=1496, vol=8.054192e+05
assign (segid "   D" and resid   50 and name   HN) (segid "   D" and resid   51 and name  HG2) 3.642 1.658 1.658 weight 1.000 ! spec=15NN...12AB, no=513, id=1497, vol=3.837046e+05
assign (segid "   D" and resid   50 and name   HN) (segid "   D" and resid   51 and name  HB2) 4.807 2.888 2.888 weight 1.000 ! spec=15NN...12AB, no=514, id=1498, vol=2.910820e+05
assign (segid "   D" and resid   50 and name   HN) (segid "   D" and resid   49 and name   HN) 2.885 1.040 1.040 weight 1.000 ! spec=15NN...12AB, no=515, id=1499, vol=1.185323e+06
assign (segid "   D" and resid   50 and name   HN) (segid "   D" and resid   50 and name  HD2) 3.231 1.305 1.305 weight 1.000 ! spec=15NN...12AB, no=516, id=1500, vol=1.519743e+06
assign (segid "   D" and resid   50 and name   HN) (segid "   D" and resid   49 and name   HA) 3.899 1.900 1.900 weight 1.000 ! spec=15NN...12AB, no=517, id=1501, vol=2.780526e+05
assign (segid "   D" and resid   50 and name   HN) (segid "   D" and resid   59 and name  HB2) 4.228 2.235 2.235 weight 1.000 ! spec=15NN...12AB, no=518, id=1502, vol=3.020958e+05
    or (segid "   D" and resid   50 and name   HN) (segid "   D" and resid   59 and name  HB1)
    or (segid "   D" and resid   50 and name   HN) (segid "   D" and resid   59 and name  HB3)
assign (segid "   D" and resid   47 and name   HN) (segid "   D" and resid   47 and name  HB2) 3.948 1.948 1.948 weight 1.000 ! spec=15NN...12AB, no=523, id=1504, vol=7.484264e+05
assign (segid "   D" and resid   47 and name   HN) (segid "   D" and resid   21 and name  HB1) 4.211 2.217 2.217 weight 1.000 ! spec=15NN...12AB, no=524, id=1505, vol=3.821567e+05
assign (segid "   D" and resid   47 and name   HN) (segid "   D" and resid   21 and name   HA) 3.864 1.867 1.867 weight 1.000 ! spec=15NN...12AB, no=525, id=1506, vol=3.167769e+05
assign (segid "   D" and resid   46 and name   HN) (segid "   D" and resid   45 and name  HD1) 3.427 1.468 1.468 weight 1.000 ! spec=15NN...12AB, no=526, id=1507, vol=7.165124e+05
assign (segid "   D" and resid   45 and name   HN) (segid "   D" and resid   44 and name  HG2) 4.413 2.434 2.434 weight 1.000 ! spec=15NN...12AB, no=527, id=1508, vol=4.556761e+05
assign (segid "   D" and resid   43 and name   HN) (segid "   D" and resid   42 and name  HB2) 3.532 1.559 1.559 weight 1.000 ! spec=15NN...12AB, no=532, id=1510, vol=1.573801e+06
    or (segid "   D" and resid   43 and name   HN) (segid "   D" and resid   42 and name  HB1)
    or (segid "   D" and resid   43 and name   HN) (segid "   D" and resid   42 and name  HB3)
assign (segid "   D" and resid   43 and name   HN) (segid "   D" and resid   42 and name   HA) 2.617 0.856 0.856 weight 1.000 ! spec=15NN...12AB, no=534, id=1511, vol=2.202035e+06
assign (segid "   D" and resid   42 and name   HN) (segid "   D" and resid   42 and name   HA) 2.869 1.029 1.029 weight 1.000 ! spec=15NN...12AB, no=537, id=1513, vol=1.474256e+06
assign (segid "   D" and resid   42 and name   HN) (segid "   D" and resid   41 and name   HA) 2.259 0.638 0.638 weight 1.000 ! spec=15NN...12AB, no=538, id=1514, vol=5.622592e+06
assign (segid "   D" and resid   42 and name   HN) (segid "   D" and resid   45 and name  HB2) 4.569 2.609 2.609 weight 1.000 ! spec=15NN...12AB, no=539, id=1515, vol=4.964040e+05
assign (segid "   D" and resid   42 and name   HN) (segid "   D" and resid   42 and name  HB2) 2.318 0.671 0.671 weight 1.000 ! spec=15NN...12AB, no=540, id=1516, vol=4.119229e+06
    or (segid "   D" and resid   42 and name   HN) (segid "   D" and resid   42 and name  HB1)
    or (segid "   D" and resid   42 and name   HN) (segid "   D" and resid   42 and name  HB3)
assign (segid "   D" and resid   39 and name   HN) (segid "   D" and resid   39 and name  HB2) 2.999 1.124 1.124 weight 1.000 ! spec=15NN...12AB, no=544, id=1517, vol=1.827393e+06
assign (segid "   D" and resid   39 and name   HN) (segid "   D" and resid   39 and name   HA) 2.725 0.928 0.928 weight 1.000 ! spec=15NN...12AB, no=547, id=1519, vol=2.265277e+06
assign (segid "   D" and resid   39 and name   HN) (segid "   D" and resid   38 and name   HN) 2.936 1.078 1.078 weight 1.000 ! spec=15NN...12AB, no=548, id=1520, vol=1.208692e+06
assign (segid "   D" and resid   38 and name   HN) (segid "   D" and resid   37 and name   HA) 2.669 0.890 0.890 weight 1.000 ! spec=15NN...12AB, no=552, id=1521, vol=1.603390e+06
assign (segid "   D" and resid   38 and name   HN) (segid "   D" and resid   38 and name HG21) 3.411 1.454 1.454 weight 1.000 ! spec=15NN...12AB, no=554, id=1523, vol=6.845081e+05
    or (segid "   D" and resid   38 and name   HN) (segid "   D" and resid   38 and name HG22)
    or (segid "   D" and resid   38 and name   HN) (segid "   D" and resid   38 and name HG23)
assign (segid "   D" and resid   37 and name   HN) (segid "   D" and resid   37 and name   HA) 2.370 0.702 0.702 weight 1.000 ! spec=15NN...12AB, no=559, id=1525, vol=4.425808e+06
assign (segid "   D" and resid   37 and name   HN) (segid "   D" and resid   37 and name  HB2) 2.236 0.625 0.625 weight 1.000 ! spec=15NN...12AB, no=560, id=1526, vol=5.810358e+06
assign (segid "   D" and resid   37 and name   HN) (segid "   D" and resid   36 and name  HB1) 3.780 1.786 1.786 weight 1.000 ! spec=15NN...12AB, no=562, id=1528, vol=6.237121e+05
assign (segid "   D" and resid   37 and name   HN) (segid "   D" and resid   32 and name   HA) 3.785 1.791 1.791 weight 1.000 ! spec=15NN...12AB, no=563, id=1529, vol=4.684510e+05
assign (segid "   D" and resid   37 and name   HN) (segid "   D" and resid   35 and name   HN) 3.683 1.696 1.696 weight 1.000 ! spec=15NN...12AB, no=566, id=1530, vol=5.520142e+05
assign (segid "   D" and resid   36 and name   HN) (segid "   D" and resid   35 and name HD12) 4.314 2.326 2.326 weight 1.000 ! spec=15NN...12AB, no=570, id=1533, vol=6.328046e+05
    or (segid "   D" and resid   36 and name   HN) (segid "   D" and resid   35 and name HD11)
    or (segid "   D" and resid   36 and name   HN) (segid "   D" and resid   35 and name HD13)
assign (segid "   D" and resid   36 and name   HN) (segid "   D" and resid   36 and name  HB2) 3.253 1.323 1.323 weight 1.000 ! spec=15NN...12AB, no=571, id=1534, vol=1.041504e+06
assign (segid "   D" and resid   36 and name   HN) (segid "   D" and resid   36 and name  HB1) 3.613 1.631 1.631 weight 1.000 ! spec=15NN...12AB, no=572, id=1535, vol=1.310576e+06
assign (segid "   D" and resid   36 and name   HN) (segid "   D" and resid   36 and name   HA) 2.182 0.595 0.595 weight 1.000 ! spec=15NN...12AB, no=573, id=1536, vol=6.774107e+06
assign (segid "   D" and resid   35 and name   HN) (segid "   D" and resid   36 and name   HN) 2.590 0.838 0.838 weight 1.000 ! spec=15NN...12AB, no=574, id=1537, vol=2.015233e+06
assign (segid "   D" and resid   35 and name   HN) (segid "   D" and resid   35 and name HD12) 3.544 1.570 1.570 weight 1.000 ! spec=15NN...12AB, no=575, id=1538, vol=1.064264e+06
    or (segid "   D" and resid   35 and name   HN) (segid "   D" and resid   35 and name HD11)
    or (segid "   D" and resid   35 and name   HN) (segid "   D" and resid   35 and name HD13)
assign (segid "   D" and resid   35 and name   HN) (segid "   D" and resid   35 and name  HB2) 2.333 0.680 0.680 weight 1.000 ! spec=15NN...12AB, no=576, id=1539, vol=3.747876e+06
assign (segid "   D" and resid   35 and name   HN) (segid "   D" and resid   35 and name   HA) 2.839 1.008 1.008 weight 1.000 ! spec=15NN...12AB, no=577, id=1540, vol=1.638440e+06
assign (segid "   D" and resid   35 and name   HN) (segid "   D" and resid   32 and name   HA) 3.357 1.408 1.408 weight 1.000 ! spec=15NN...12AB, no=578, id=1541, vol=7.070844e+05
assign (segid "   D" and resid   35 and name   HN) (segid "   D" and resid   34 and name  HB2) 3.401 1.445 1.445 weight 1.000 ! spec=15NN...12AB, no=579, id=1542, vol=8.967511e+05
assign (segid "   D" and resid   34 and name   HN) (segid "   D" and resid   33 and name   HA) 3.379 1.427 1.427 weight 1.000 ! spec=15NN...12AB, no=580, id=1543, vol=8.622985e+05
assign (segid "   D" and resid   34 and name   HN) (segid "   D" and resid   34 and name   HA) 2.943 1.083 1.083 weight 1.000 ! spec=15NN...12AB, no=581, id=1544, vol=1.418952e+06
assign (segid "   D" and resid   34 and name   HN) (segid "   D" and resid   31 and name  HB2) 2.399 0.719 0.719 weight 1.000 ! spec=15NN...12AB, no=582, id=1545, vol=2.490628e+06
assign (segid "   D" and resid   34 and name   HN) (segid "   D" and resid   35 and name  HB1) 4.677 2.735 2.735 weight 1.000 ! spec=15NN...12AB, no=585, id=1548, vol=7.494292e+05
assign (segid "   D" and resid   34 and name   HN) (segid "   D" and resid   35 and name HD12) 4.327 2.340 2.340 weight 1.000 ! spec=15NN...12AB, no=586, id=1549, vol=3.512848e+05
    or (segid "   D" and resid   34 and name   HN) (segid "   D" and resid   35 and name HD11)
    or (segid "   D" and resid   34 and name   HN) (segid "   D" and resid   35 and name HD13)
assign (segid "   D" and resid   34 and name   HN) (segid "   D" and resid   31 and name   HN) 4.268 2.277 2.277 weight 1.000 ! spec=15NN...12AB, no=588, id=1550, vol=4.314882e+05
assign (segid "   D" and resid   34 and name   HN) (segid "   D" and resid   36 and name   HN) 4.154 2.157 2.157 weight 1.000 ! spec=15NN...12AB, no=590, id=1552, vol=4.836899e+05
assign (segid "   D" and resid   33 and name   HN) (segid "   D" and resid   33 and name   HA) 2.742 0.940 0.940 weight 1.000 ! spec=15NN...12AB, no=594, id=1554, vol=2.383141e+06
assign (segid "   D" and resid   32 and name   HN) (segid "   D" and resid   31 and name   HA) 2.184 0.596 0.596 weight 1.000 ! spec=15NN...12AB, no=597, id=1556, vol=4.885419e+06
assign (segid "   D" and resid   32 and name   HN) (segid "   D" and resid   32 and name   HA) 2.485 0.772 0.772 weight 1.000 ! spec=15NN...12AB, no=598, id=1557, vol=2.385801e+06
assign (segid "   D" and resid   32 and name   HN) (segid "   D" and resid   33 and name  HB1) 4.709 2.772 2.772 weight 1.000 ! spec=15NN...12AB, no=599, id=1558, vol=3.624196e+05
assign (segid "   D" and resid   32 and name   HN) (segid "   D" and resid   32 and name  HB2) 2.119 0.561 0.561 weight 1.000 ! spec=15NN...12AB, no=600, id=1559, vol=4.866518e+06
    or (segid "   D" and resid   32 and name   HN) (segid "   D" and resid   32 and name  HB1)
    or (segid "   D" and resid   32 and name   HN) (segid "   D" and resid   32 and name  HB3)
assign (segid "   D" and resid   32 and name   HN) (segid "   D" and resid   19 and name HG12) 2.821 0.995 0.995 weight 1.000 ! spec=15NN...12AB, no=601, id=1560, vol=1.172833e+06
    or (segid "   D" and resid   32 and name   HN) (segid "   D" and resid   19 and name HG11)
    or (segid "   D" and resid   32 and name   HN) (segid "   D" and resid   19 and name HG13)
assign (segid "   D" and resid   32 and name   HN) (segid "   D" and resid   34 and name   HN) 4.447 2.471 2.471 weight 1.000 ! spec=15NN...12AB, no=603, id=1562, vol=2.839369e+05
assign (segid "   D" and resid   31 and name   HN) (segid "   D" and resid   32 and name   HN) 4.418 2.439 2.439 weight 1.000 ! spec=15NN...12AB, no=605, id=1564, vol=4.483571e+05
assign (segid "   D" and resid   31 and name   HN) (segid "   D" and resid   30 and name   HA) 2.444 0.747 0.747 weight 1.000 ! spec=15NN...12AB, no=606, id=1565, vol=2.735051e+06
assign (segid "   D" and resid   31 and name   HN) (segid "   D" and resid   31 and name   HA) 2.952 1.089 1.089 weight 1.000 ! spec=15NN...12AB, no=607, id=1566, vol=1.020471e+06
assign (segid "   D" and resid   31 and name   HN) (segid "   D" and resid    9 and name   HA) 3.975 1.975 1.975 weight 1.000 ! spec=15NN...12AB, no=608, id=1567, vol=6.746369e+05
assign (segid "   D" and resid   31 and name   HN) (segid "   D" and resid   31 and name  HB2) 2.673 0.893 0.893 weight 1.000 ! spec=15NN...12AB, no=609, id=1568, vol=1.486056e+06
assign (segid "   D" and resid   31 and name   HN) (segid "   D" and resid   31 and name  HB1) 3.692 1.704 1.704 weight 1.000 ! spec=15NN...12AB, no=610, id=1569, vol=9.654046e+05
assign (segid "   D" and resid   31 and name   HN) (segid "   D" and resid   30 and name  HB2) 2.946 1.085 1.085 weight 1.000 ! spec=15NN...12AB, no=612, id=1571, vol=1.224008e+06
assign (segid "   D" and resid   31 and name   HN) (segid "   D" and resid    9 and name  HB2) 2.932 1.074 1.074 weight 1.000 ! spec=15NN...12AB, no=613, id=1572, vol=8.450192e+05
assign (segid "   D" and resid   31 and name   HN) (segid "   D" and resid   18 and name HD22) 3.165 1.252 1.252 weight 1.000 ! spec=15NN...12AB, no=614, id=1573, vol=7.509302e+05
    or (segid "   D" and resid   31 and name   HN) (segid "   D" and resid   18 and name HD21)
    or (segid "   D" and resid   31 and name   HN) (segid "   D" and resid   18 and name HD23)
assign (segid "   D" and resid   31 and name   HN) (segid "   D" and resid   30 and name  HB1) 3.543 1.569 1.569 weight 1.000 ! spec=15NN...12AB, no=616, id=1574, vol=6.840802e+05
assign (segid "   D" and resid   31 and name   HN) (segid "   D" and resid   33 and name   HN) 4.045 2.045 2.045 weight 1.000 ! spec=15NN...12AB, no=618, id=1576, vol=8.426693e+05
assign (segid "   D" and resid   19 and name   HN) (segid "   D" and resid   30 and name   HN) 2.761 0.953 0.953 weight 1.000 ! spec=15NN...12AB, no=619, id=1577, vol=1.467286e+06
assign (segid "   D" and resid   30 and name   HN) (segid "   D" and resid   30 and name  HD1) 3.454 1.492 1.492 weight 1.000 ! spec=15NN...12AB, no=620, id=1578, vol=1.020283e+06
    or (segid "   D" and resid   30 and name   HN) (segid "   D" and resid   30 and name  HD2)
assign (segid "   D" and resid   30 and name   HN) (segid "   D" and resid   30 and name   HA) 3.187 1.270 1.270 weight 1.000 ! spec=15NN...12AB, no=622, id=1579, vol=5.876527e+05
assign (segid "   D" and resid   30 and name   HN) (segid "   D" and resid   29 and name   HA) 2.459 0.756 0.756 weight 1.000 ! spec=15NN...12AB, no=623, id=1580, vol=2.832848e+06
assign (segid "   D" and resid   30 and name   HN) (segid "   D" and resid   30 and name  HB2) 3.229 1.304 1.304 weight 1.000 ! spec=15NN...12AB, no=624, id=1581, vol=7.553338e+05
assign (segid "   D" and resid   30 and name   HN) (segid "   D" and resid   30 and name  HB1) 3.266 1.333 1.333 weight 1.000 ! spec=15NN...12AB, no=625, id=1582, vol=1.233724e+06
assign (segid "   D" and resid   30 and name   HN) (segid "   D" and resid   29 and name   HB) 3.295 1.357 1.357 weight 1.000 ! spec=15NN...12AB, no=626, id=1583, vol=2.068209e+06
assign (segid "   D" and resid   30 and name   HN) (segid "   D" and resid   18 and name  HB2) 4.284 2.294 2.294 weight 1.000 ! spec=15NN...12AB, no=627, id=1584, vol=6.307419e+05
assign (segid "   D" and resid   30 and name   HN) (segid "   D" and resid   18 and name  HB1) 2.925 1.070 1.070 weight 1.000 ! spec=15NN...12AB, no=628, id=1585, vol=9.284357e+05
assign (segid "   D" and resid   30 and name   HN) (segid "   D" and resid   29 and name HG22) 2.756 0.949 0.949 weight 1.000 ! spec=15NN...12AB, no=629, id=1586, vol=1.661070e+06
    or (segid "   D" and resid   30 and name   HN) (segid "   D" and resid   29 and name HG21)
    or (segid "   D" and resid   30 and name   HN) (segid "   D" and resid   29 and name HG23)
assign (segid "   D" and resid   30 and name   HN) (segid "   D" and resid   18 and name HD22) 3.574 1.597 1.597 weight 1.000 ! spec=15NN...12AB, no=631, id=1587, vol=4.903275e+05
    or (segid "   D" and resid   30 and name   HN) (segid "   D" and resid   18 and name HD21)
    or (segid "   D" and resid   30 and name   HN) (segid "   D" and resid   18 and name HD23)
assign (segid "   D" and resid   29 and name   HN) (segid "   D" and resid   29 and name   HA) 3.320 1.378 1.378 weight 1.000 ! spec=15NN...12AB, no=634, id=1588, vol=5.308376e+05
assign (segid "   D" and resid   29 and name   HN) (segid "   D" and resid   28 and name   HA) 2.596 0.842 0.842 weight 1.000 ! spec=15NN...12AB, no=636, id=1589, vol=1.926937e+06
assign (segid "   D" and resid   29 and name   HN) (segid "   D" and resid   28 and name  HB2) 4.321 2.334 2.334 weight 1.000 ! spec=15NN...12AB, no=637, id=1590, vol=5.799080e+05
assign (segid "   D" and resid   29 and name   HN) (segid "   D" and resid   28 and name  HB1) 3.232 1.305 1.305 weight 1.000 ! spec=15NN...12AB, no=638, id=1591, vol=7.219996e+05
assign (segid "   D" and resid   29 and name   HN) (segid "   D" and resid   29 and name HG22) 3.609 1.628 1.628 weight 1.000 ! spec=15NN...12AB, no=639, id=1592, vol=8.608810e+05
    or (segid "   D" and resid   29 and name   HN) (segid "   D" and resid   29 and name HG21)
    or (segid "   D" and resid   29 and name   HN) (segid "   D" and resid   29 and name HG23)
assign (segid "   D" and resid   29 and name   HN) (segid "   D" and resid   29 and name HG12) 2.585 0.835 0.835 weight 1.000 ! spec=15NN...12AB, no=640, id=1593, vol=1.985747e+06
    or (segid "   D" and resid   29 and name   HN) (segid "   D" and resid   29 and name HG11)
    or (segid "   D" and resid   29 and name   HN) (segid "   D" and resid   29 and name HG13)
assign (segid "   D" and resid   28 and name   HN) (segid "   D" and resid   28 and name  HB2) 2.579 0.831 0.831 weight 1.000 ! spec=15NN...12AB, no=641, id=1594, vol=1.703174e+06
assign (segid "   D" and resid   28 and name   HN) (segid "   D" and resid   27 and name  HG2) 3.685 1.698 1.698 weight 1.000 ! spec=15NN...12AB, no=642, id=1595, vol=5.665347e+05
assign (segid "   D" and resid   28 and name   HN) (segid "   D" and resid   28 and name  HG2) 4.747 2.817 2.817 weight 1.000 ! spec=15NN...12AB, no=644, id=1597, vol=5.047134e+05
assign (segid "   D" and resid   28 and name   HN) (segid "   D" and resid   28 and name  HD2) 3.597 1.617 1.617 weight 1.000 ! spec=15NN...12AB, no=645, id=1598, vol=9.331915e+05
assign (segid "   D" and resid   28 and name   HN) (segid "   D" and resid   27 and name  HD2) 2.790 0.973 0.973 weight 1.000 ! spec=15NN...12AB, no=646, id=1599, vol=1.278357e+06
assign (segid "   D" and resid   28 and name   HN) (segid "   D" and resid   28 and name   HA) 3.056 1.167 1.167 weight 1.000 ! spec=15NN...12AB, no=647, id=1600, vol=9.900591e+05
assign (segid "   D" and resid   28 and name   HN) (segid "   D" and resid   26 and name  HB1) 3.473 1.508 1.508 weight 1.000 ! spec=15NN...12AB, no=648, id=1601, vol=3.527806e+05
assign (segid "   D" and resid   28 and name   HN) (segid "   D" and resid   49 and name  HZ3) 4.289 2.299 2.299 weight 1.000 ! spec=15NN...12AB, no=652, id=1602, vol=3.551328e+05
assign (segid "   D" and resid   28 and name   HN) (segid "   D" and resid   26 and name  HB2) 4.384 2.402 2.402 weight 1.000 ! spec=15NN...12AB, no=654, id=1603, vol=4.195447e+05
assign (segid "   D" and resid   26 and name   HN) (segid "   D" and resid   26 and name   HA) 2.949 1.087 1.087 weight 1.000 ! spec=15NN...12AB, no=656, id=1605, vol=1.355017e+06
assign (segid "   D" and resid   26 and name   HN) (segid "   D" and resid   26 and name  HB1) 2.826 0.998 0.998 weight 1.000 ! spec=15NN...12AB, no=657, id=1606, vol=2.744112e+06
assign (segid "   D" and resid   26 and name   HN) (segid "   D" and resid   21 and name  HB2) 5.678 4.030 4.030 weight 1.000 ! spec=15NN...12AB, no=658, id=1607, vol=3.210221e+05
assign (segid "   D" and resid   26 and name   HN) (segid "   D" and resid   26 and name  HB2) 2.570 0.826 0.826 weight 1.000 ! spec=15NN...12AB, no=659, id=1608, vol=2.317914e+06
assign (segid "   D" and resid   23 and name   HN) (segid "   D" and resid   23 and name   HA) 2.818 0.992 0.992 weight 1.000 ! spec=15NN...12AB, no=669, id=1610, vol=1.307500e+06
assign (segid "   D" and resid   23 and name   HN) (segid "   D" and resid   21 and name  HB2) 4.524 2.558 2.558 weight 1.000 ! spec=15NN...12AB, no=671, id=1611, vol=3.585016e+05
assign (segid "   D" and resid   20 and name   HN) (segid "   D" and resid   19 and name   HA) 2.146 0.576 0.576 weight 1.000 ! spec=15NN...12AB, no=672, id=1612, vol=6.334444e+06
assign (segid "   D" and resid   20 and name   HN) (segid "   D" and resid   20 and name   HA) 2.984 1.113 1.113 weight 1.000 ! spec=15NN...12AB, no=674, id=1614, vol=1.140294e+06
assign (segid "   D" and resid   20 and name   HN) (segid "   D" and resid   19 and name   HB) 3.618 1.636 1.636 weight 1.000 ! spec=15NN...12AB, no=676, id=1616, vol=1.821568e+06
assign (segid "   D" and resid   20 and name   HN) (segid "   D" and resid   19 and name   HN) 4.212 2.217 2.217 weight 1.000 ! spec=15NN...12AB, no=679, id=1619, vol=3.829302e+05
assign (segid "   D" and resid   18 and name   HN) (segid "   D" and resid   18 and name   HA) 2.835 1.005 1.005 weight 1.000 ! spec=15NN...12AB, no=682, id=1620, vol=1.397059e+06
assign (segid "   D" and resid   18 and name   HN) (segid "   D" and resid   17 and name   HA) 2.148 0.577 0.577 weight 1.000 ! spec=15NN...12AB, no=683, id=1621, vol=6.663976e+06
assign (segid "   D" and resid   18 and name   HN) (segid "   D" and resid   17 and name  HG1) 4.083 2.084 2.084 weight 1.000 ! spec=15NN...12AB, no=684, id=1622, vol=6.132881e+05
assign (segid "   D" and resid   18 and name   HN) (segid "   D" and resid   18 and name  HB2) 2.477 0.767 0.767 weight 1.000 ! spec=15NN...12AB, no=687, id=1624, vol=2.288244e+06
assign (segid "   D" and resid   18 and name   HN) (segid "   D" and resid   18 and name HD12) 3.041 1.156 1.156 weight 1.000 ! spec=15NN...12AB, no=688, id=1625, vol=2.627728e+06
    or (segid "   D" and resid   18 and name   HN) (segid "   D" and resid   18 and name HD11)
    or (segid "   D" and resid   18 and name   HN) (segid "   D" and resid   18 and name HD13)
assign (segid "   D" and resid   18 and name   HN) (segid "   D" and resid   18 and name   HG) 2.861 1.023 1.023 weight 1.000 ! spec=15NN...12AB, no=689, id=1626, vol=1.048597e+06
assign (segid "   D" and resid   18 and name   HN) (segid "   D" and resid   18 and name HD22) 4.010 2.010 2.010 weight 1.000 ! spec=15NN...12AB, no=690, id=1627, vol=6.312548e+05
    or (segid "   D" and resid   18 and name   HN) (segid "   D" and resid   18 and name HD21)
    or (segid "   D" and resid   18 and name   HN) (segid "   D" and resid   18 and name HD23)
assign (segid "   D" and resid   19 and name   HN) (segid "   D" and resid   18 and name   HN) 4.327 2.340 2.340 weight 1.000 ! spec=15NN...12AB, no=691, id=1628, vol=4.176256e+05
assign (segid "   D" and resid   18 and name   HN) (segid "   D" and resid   17 and name   HN) 3.582 1.604 1.604 weight 1.000 ! spec=15NN...12AB, no=693, id=1630, vol=9.035291e+05
assign (segid "   D" and resid   17 and name   HN) (segid "   D" and resid   31 and name  HD2) 3.200 1.280 1.280 weight 1.000 ! spec=15NN...12AB, no=694, id=1631, vol=7.944174e+05
assign (segid "   D" and resid   17 and name   HN) (segid "   D" and resid   16 and name  HA2) 2.739 0.937 0.937 weight 1.000 ! spec=15NN...12AB, no=696, id=1632, vol=2.968045e+06
assign (segid "   D" and resid   17 and name   HN) (segid "   D" and resid   16 and name  HA1) 2.629 0.864 0.864 weight 1.000 ! spec=15NN...12AB, no=697, id=1633, vol=1.955382e+06
assign (segid "   D" and resid   17 and name   HN) (segid "   D" and resid   18 and name HD22) 4.198 2.202 2.202 weight 1.000 ! spec=15NN...12AB, no=698, id=1634, vol=3.739854e+05
    or (segid "   D" and resid   17 and name   HN) (segid "   D" and resid   18 and name HD21)
    or (segid "   D" and resid   17 and name   HN) (segid "   D" and resid   18 and name HD23)
assign (segid "   D" and resid   16 and name   HN) (segid "   D" and resid    8 and name   HA) 4.115 2.116 2.116 weight 1.000 ! spec=15NN...12AB, no=702, id=1638, vol=4.497468e+05
assign (segid "   D" and resid   16 and name   HN) (segid "   D" and resid   16 and name  HA1) 2.692 0.906 0.906 weight 1.000 ! spec=15NN...12AB, no=703, id=1639, vol=2.937044e+06
assign (segid "   D" and resid   16 and name   HN) (segid "   D" and resid   15 and name  HB2) 2.312 0.668 0.668 weight 1.000 ! spec=15NN...12AB, no=705, id=1641, vol=5.499138e+06
    or (segid "   D" and resid   16 and name   HN) (segid "   D" and resid   15 and name  HB1)
    or (segid "   D" and resid   16 and name   HN) (segid "   D" and resid   15 and name  HB3)
assign (segid "   D" and resid   16 and name   HN) (segid "   D" and resid   18 and name HD12) 3.167 1.254 1.254 weight 1.000 ! spec=15NN...12AB, no=706, id=1642, vol=7.452316e+05
    or (segid "   D" and resid   16 and name   HN) (segid "   D" and resid   18 and name HD11)
    or (segid "   D" and resid   16 and name   HN) (segid "   D" and resid   18 and name HD13)
assign (segid "   D" and resid   16 and name   HN) (segid "   D" and resid   18 and name   HG) 2.814 0.990 0.990 weight 1.000 ! spec=15NN...12AB, no=707, id=1643, vol=1.037420e+06
assign (segid "   D" and resid   16 and name   HN) (segid "   D" and resid   18 and name HD22) 3.832 1.835 1.835 weight 1.000 ! spec=15NN...12AB, no=708, id=1644, vol=4.518069e+05
    or (segid "   D" and resid   16 and name   HN) (segid "   D" and resid   18 and name HD21)
    or (segid "   D" and resid   16 and name   HN) (segid "   D" and resid   18 and name HD23)
assign (segid "   D" and resid   15 and name   HN) (segid "   D" and resid   14 and name  HB1) 2.622 0.859 0.859 weight 1.000 ! spec=15NN...12AB, no=710, id=1645, vol=3.403417e+06
assign (segid "   D" and resid   15 and name   HN) (segid "   D" and resid   15 and name  HB2) 2.164 0.585 0.585 weight 1.000 ! spec=15NN...12AB, no=712, id=1646, vol=5.613672e+06
    or (segid "   D" and resid   15 and name   HN) (segid "   D" and resid   15 and name  HB1)
    or (segid "   D" and resid   15 and name   HN) (segid "   D" and resid   15 and name  HB3)
assign (segid "   D" and resid   15 and name   HN) (segid "   D" and resid   14 and name   HA) 2.231 0.622 0.622 weight 1.000 ! spec=15NN...12AB, no=713, id=1647, vol=6.781048e+06
assign (segid "   D" and resid   15 and name   HN) (segid "   D" and resid   15 and name   HA) 2.644 0.874 0.874 weight 1.000 ! spec=15NN...12AB, no=714, id=1648, vol=1.987082e+06
assign (segid "   D" and resid   15 and name   HN) (segid "   D" and resid   31 and name  HE1) 4.362 2.379 2.379 weight 1.000 ! spec=15NN...12AB, no=716, id=1649, vol=3.766677e+05
assign (segid "   D" and resid   14 and name   HN) (segid "   D" and resid   14 and name   HA) 2.838 1.007 1.007 weight 1.000 ! spec=15NN...12AB, no=720, id=1650, vol=1.578679e+06
assign (segid "   D" and resid   14 and name   HN) (segid "   D" and resid   14 and name  HB2) 2.381 0.708 0.708 weight 1.000 ! spec=15NN...12AB, no=721, id=1651, vol=4.350108e+06
assign (segid "   D" and resid   14 and name   HN) (segid "   D" and resid   13 and name  HA1) 3.330 1.386 1.386 weight 1.000 ! spec=15NN...12AB, no=722, id=1652, vol=7.888031e+05
assign (segid "   D" and resid   14 and name   HN) (segid "   D" and resid    9 and name  HB1) 2.638 0.870 0.870 weight 1.000 ! spec=15NN...12AB, no=723, id=1653, vol=1.512174e+06
assign (segid "   D" and resid   14 and name   HN) (segid "   D" and resid   13 and name  HA2) 3.222 1.298 1.298 weight 1.000 ! spec=15NN...12AB, no=725, id=1654, vol=1.113195e+06
assign (segid "   D" and resid   14 and name   HN) (segid "   D" and resid   31 and name  HE1) 3.132 1.226 1.226 weight 1.000 ! spec=15NN...12AB, no=726, id=1655, vol=1.406064e+06
assign (segid "   D" and resid   13 and name   HN) (segid "   D" and resid   13 and name  HA2) 2.462 0.758 0.758 weight 1.000 ! spec=15NN...12AB, no=728, id=1656, vol=2.303877e+06
assign (segid "   D" and resid   13 and name   HN) (segid "   D" and resid   13 and name  HA1) 2.834 1.004 1.004 weight 1.000 ! spec=15NN...12AB, no=729, id=1657, vol=2.914645e+06
assign (segid "   D" and resid   13 and name   HN) (segid "   D" and resid    9 and name  HB1) 2.650 0.878 0.878 weight 1.000 ! spec=15NN...12AB, no=730, id=1658, vol=1.277238e+06
assign (segid "   D" and resid   13 and name   HN) (segid "   D" and resid   12 and name  HB1) 4.385 2.404 2.404 weight 1.000 ! spec=15NN...12AB, no=731, id=1659, vol=5.224574e+05
assign (segid "   D" and resid   13 and name   HN) (segid "   D" and resid   12 and name   HA) 3.805 1.809 1.809 weight 1.000 ! spec=15NN...12AB, no=732, id=1660, vol=4.750946e+05
assign (segid "   D" and resid   13 and name   HN) (segid "   D" and resid    9 and name  HB2) 4.455 2.480 2.480 weight 1.000 ! spec=15NN...12AB, no=733, id=1661, vol=6.262224e+05
assign (segid "   D" and resid   13 and name   HN) (segid "   D" and resid   10 and name   HA) 3.848 1.851 1.851 weight 1.000 ! spec=15NN...12AB, no=736, id=1662, vol=2.785688e+05
assign (segid "   D" and resid   12 and name   HN) (segid "   D" and resid   12 and name   HA) 3.067 1.176 1.176 weight 1.000 ! spec=15NN...12AB, no=737, id=1663, vol=1.069398e+06
assign (segid "   D" and resid   12 and name   HN) (segid "   D" and resid    9 and name  HB2) 4.171 2.174 2.174 weight 1.000 ! spec=15NN...12AB, no=738, id=1664, vol=5.795668e+05
assign (segid "   D" and resid   12 and name   HN) (segid "   D" and resid   12 and name  HB1) 3.542 1.568 1.568 weight 1.000 ! spec=15NN...12AB, no=739, id=1665, vol=1.088866e+06
assign (segid "   D" and resid   12 and name   HN) (segid "   D" and resid   12 and name  HB2) 2.645 0.875 0.875 weight 1.000 ! spec=15NN...12AB, no=740, id=1666, vol=1.660807e+06
assign (segid "   D" and resid   12 and name   HN) (segid "   D" and resid   10 and name   HA) 4.048 2.049 2.049 weight 1.000 ! spec=15NN...12AB, no=742, id=1668, vol=4.183282e+05
assign (segid "   D" and resid   12 and name   HN) (segid "   D" and resid   11 and name   HN) 2.464 0.759 0.759 weight 1.000 ! spec=15NN...12AB, no=744, id=1670, vol=2.417678e+06
assign (segid "   D" and resid   11 and name   HN) (segid "   D" and resid   30 and name  HD1) 3.969 1.969 1.969 weight 1.000 ! spec=15NN...12AB, no=745, id=1671, vol=8.469956e+05
    or (segid "   D" and resid   11 and name   HN) (segid "   D" and resid   30 and name  HD2)
assign (segid "   D" and resid   11 and name   HN) (segid "   D" and resid   30 and name   HA) 3.925 1.926 1.926 weight 1.000 ! spec=15NN...12AB, no=747, id=1672, vol=4.287488e+05
assign (segid "   D" and resid   11 and name   HN) (segid "   D" and resid   10 and name   HA) 3.505 1.536 1.536 weight 1.000 ! spec=15NN...12AB, no=748, id=1673, vol=6.461448e+05
assign (segid "   D" and resid   11 and name   HN) (segid "   D" and resid   11 and name  HB2) 2.586 0.836 0.836 weight 1.000 ! spec=15NN...12AB, no=749, id=1674, vol=2.482863e+06
assign (segid "   D" and resid   11 and name   HN) (segid "   D" and resid    9 and name  HB1) 3.341 1.396 1.396 weight 1.000 ! spec=15NN...12AB, no=750, id=1675, vol=8.810953e+05
assign (segid "   D" and resid   11 and name   HN) (segid "   D" and resid   10 and name  HB2) 4.231 2.238 2.238 weight 1.000 ! spec=15NN...12AB, no=752, id=1676, vol=6.070584e+05
assign (segid "   D" and resid   10 and name   HN) (segid "   D" and resid   30 and name   HA) 3.419 1.461 1.461 weight 1.000 ! spec=15NN...12AB, no=756, id=1679, vol=7.425678e+05
assign (segid "   D" and resid   10 and name   HN) (segid "   D" and resid   10 and name   HA) 3.115 1.213 1.213 weight 1.000 ! spec=15NN...12AB, no=757, id=1680, vol=1.016288e+06
assign (segid "   D" and resid   10 and name   HN) (segid "   D" and resid    9 and name   HA) 2.346 0.688 0.688 weight 1.000 ! spec=15NN...12AB, no=758, id=1681, vol=2.859091e+06
assign (segid "   D" and resid   10 and name   HN) (segid "   D" and resid   10 and name  HB1) 2.751 0.946 0.946 weight 1.000 ! spec=15NN...12AB, no=759, id=1682, vol=1.487131e+06
assign (segid "   D" and resid   10 and name   HN) (segid "   D" and resid   10 and name  HB2) 2.983 1.112 1.112 weight 1.000 ! spec=15NN...12AB, no=760, id=1683, vol=1.072093e+06
assign (segid "   D" and resid   10 and name   HN) (segid "   D" and resid    9 and name  HB2) 4.465 2.492 2.492 weight 1.000 ! spec=15NN...12AB, no=762, id=1684, vol=3.421024e+05
assign (segid "   D" and resid   10 and name   HN) (segid "   D" and resid   29 and name HG12) 3.578 1.600 1.600 weight 1.000 ! spec=15NN...12AB, no=763, id=1685, vol=5.062887e+05
    or (segid "   D" and resid   10 and name   HN) (segid "   D" and resid   29 and name HG11)
    or (segid "   D" and resid   10 and name   HN) (segid "   D" and resid   29 and name HG13)
assign (segid "   D" and resid   10 and name   HN) (segid "   D" and resid   18 and name HD22) 4.682 2.740 2.740 weight 1.000 ! spec=15NN...12AB, no=764, id=1686, vol=3.385067e+05
    or (segid "   D" and resid   10 and name   HN) (segid "   D" and resid   18 and name HD21)
    or (segid "   D" and resid   10 and name   HN) (segid "   D" and resid   18 and name HD23)
assign (segid "   D" and resid    9 and name   HN) (segid "   D" and resid   15 and name  HB2) 3.283 1.347 1.347 weight 1.000 ! spec=15NN...12AB, no=765, id=1687, vol=1.746191e+06
    or (segid "   D" and resid    9 and name   HN) (segid "   D" and resid   15 and name  HB1)
    or (segid "   D" and resid    9 and name   HN) (segid "   D" and resid   15 and name  HB3)
assign (segid "   D" and resid    9 and name   HN) (segid "   D" and resid   18 and name   HG) 3.406 1.450 2.594 weight 1.000 ! spec=15NN...12AB, no=766, id=1688, vol=9.143720e+05
assign (segid "   D" and resid    9 and name   HN) (segid "   D" and resid   18 and name HD22) 2.930 1.073 1.073 weight 1.000 ! spec=15NN...12AB, no=767, id=1689, vol=1.374652e+06
    or (segid "   D" and resid    9 and name   HN) (segid "   D" and resid   18 and name HD21)
    or (segid "   D" and resid    9 and name   HN) (segid "   D" and resid   18 and name HD23)
assign (segid "   D" and resid    9 and name   HN) (segid "   D" and resid    9 and name  HB2) 2.406 0.723 0.723 weight 1.000 ! spec=15NN...12AB, no=768, id=1690, vol=2.856780e+06
assign (segid "   D" and resid    9 and name   HN) (segid "   D" and resid   15 and name   HA) 2.919 1.065 1.065 weight 1.000 ! spec=15NN...12AB, no=770, id=1691, vol=1.105461e+06
assign (segid "   D" and resid    9 and name   HN) (segid "   D" and resid    8 and name   HA) 2.165 0.586 0.586 weight 1.000 ! spec=15NN...12AB, no=772, id=1692, vol=4.837021e+06
assign (segid "   D" and resid    9 and name   HN) (segid "   D" and resid   13 and name  HA1) 4.720 2.785 2.785 weight 1.000 ! spec=15NN...12AB, no=773, id=1693, vol=3.886483e+05
assign (segid "   D" and resid    9 and name   HN) (segid "   D" and resid    9 and name  HB1) 2.361 0.697 0.697 weight 1.000 ! spec=15NN...12AB, no=774, id=1694, vol=2.686489e+06
assign (segid "   D" and resid    9 and name   HN) (segid "   D" and resid   12 and name  HB1) 5.388 3.629 3.629 weight 1.000 ! spec=15NN...12AB, no=775, id=1695, vol=3.792105e+05
assign (segid "   D" and resid    9 and name   HN) (segid "   D" and resid   31 and name  HE1) 3.913 1.914 1.914 weight 1.000 ! spec=15NN...12AB, no=776, id=1696, vol=5.234225e+05
assign (segid "   D" and resid   10 and name   HN) (segid "   D" and resid    9 and name   HN) 4.180 2.184 2.184 weight 1.000 ! spec=15NN...12AB, no=777, id=1697, vol=4.551638e+05
assign (segid "   D" and resid    8 and name   HN) (segid "   D" and resid    7 and name   HN) 2.649 0.877 0.877 weight 1.000 ! spec=15NN...12AB, no=779, id=1698, vol=2.653633e+06
assign (segid "   D" and resid    8 and name   HN) (segid "   D" and resid    7 and name   HA) 2.591 0.839 0.839 weight 1.000 ! spec=15NN...12AB, no=780, id=1699, vol=1.964940e+06
assign (segid "   D" and resid    8 and name   HN) (segid "   D" and resid    8 and name   HA) 2.629 0.864 0.864 weight 1.000 ! spec=15NN...12AB, no=781, id=1700, vol=1.398296e+06
assign (segid "   D" and resid    8 and name   HN) (segid "   D" and resid    8 and name  HB1) 2.689 0.904 0.904 weight 1.000 ! spec=15NN...12AB, no=784, id=1703, vol=1.628496e+06
assign (segid "   D" and resid    8 and name   HN) (segid "   D" and resid   29 and name HG12) 2.589 0.838 0.838 weight 1.000 ! spec=15NN...12AB, no=785, id=1704, vol=1.276540e+06
    or (segid "   D" and resid    8 and name   HN) (segid "   D" and resid   29 and name HG11)
    or (segid "   D" and resid    8 and name   HN) (segid "   D" and resid   29 and name HG13)
assign (segid "   D" and resid    7 and name   HN) (segid "   D" and resid    7 and name   HA) 2.815 0.991 0.991 weight 1.000 ! spec=15NN...12AB, no=788, id=1706, vol=1.637264e+06
assign (segid "   D" and resid    7 and name   HN) (segid "   D" and resid    6 and name   HA) 2.375 0.705 0.705 weight 1.000 ! spec=15NN...12AB, no=789, id=1707, vol=3.763315e+06
assign (segid "   D" and resid    7 and name   HN) (segid "   D" and resid    6 and name   HN) 4.576 2.618 2.618 weight 1.000 ! spec=15NN...12AB, no=794, id=1709, vol=5.864643e+05
assign (segid "   D" and resid    6 and name   HN) (segid "   D" and resid    5 and name   HA) 2.278 0.649 0.649 weight 1.000 ! spec=15NN...12AB, no=797, id=1710, vol=4.486053e+06
assign (segid "   D" and resid    6 and name   HN) (segid "   D" and resid    6 and name  HB2) 2.369 0.701 0.701 weight 1.000 ! spec=15NN...12AB, no=798, id=1711, vol=4.407632e+06
assign (segid "   D" and resid    6 and name   HN) (segid "   D" and resid   29 and name HG22) 3.667 1.681 1.681 weight 1.000 ! spec=15NN...12AB, no=800, id=1712, vol=6.422224e+05
    or (segid "   D" and resid    6 and name   HN) (segid "   D" and resid   29 and name HG21)
    or (segid "   D" and resid    6 and name   HN) (segid "   D" and resid   29 and name HG23)
assign (segid "   D" and resid    6 and name   HN) (segid "   D" and resid   29 and name HG12) 4.059 2.059 2.059 weight 1.000 ! spec=15NN...12AB, no=801, id=1713, vol=3.097520e+05
    or (segid "   D" and resid    6 and name   HN) (segid "   D" and resid   29 and name HG11)
    or (segid "   D" and resid    6 and name   HN) (segid "   D" and resid   29 and name HG13)
assign (segid "   D" and resid    5 and name   HN) (segid "   D" and resid    5 and name  HB2) 2.272 0.645 0.645 weight 1.000 ! spec=15NN...12AB, no=805, id=1716, vol=4.786870e+06
assign (segid "   D" and resid    3 and name   HN) (segid "   D" and resid    2 and name  HB2) 4.028 2.028 2.028 weight 1.000 ! spec=15NN...12AB, no=811, id=1718, vol=4.780302e+05
    or (segid "   D" and resid    3 and name   HN) (segid "   D" and resid    2 and name  HB1)
    or (segid "   D" and resid    3 and name   HN) (segid "   D" and resid    2 and name  HB3)
assign (segid "   D" and resid   73 and name HE21) (segid "   D" and resid   73 and name  HG1) 3.631 1.648 1.648 weight 1.000 ! spec=15NN...12AB, no=816, id=1720, vol=1.151056e+06
assign (segid "   D" and resid   73 and name HE22) (segid "   D" and resid   73 and name  HG1) 4.562 2.602 2.602 weight 1.000 ! spec=15NN...12AB, no=817, id=1721, vol=5.537692e+05
assign (segid "   D" and resid   45 and name  HE1) (segid "   D" and resid   45 and name  HD1) 2.249 0.632 0.632 weight 1.000 ! spec=15NN...12AB, no=820, id=1722, vol=6.295012e+06
assign (segid "   D" and resid   45 and name  HE1) (segid "   D" and resid   45 and name   HA) 4.313 2.325 2.325 weight 1.000 ! spec=15NN...12AB, no=826, id=1723, vol=4.376027e+05
assign (segid "   D" and resid   68 and name   HN) (segid "   D" and resid   49 and name  HD1) 3.918 1.919 1.919 weight 1.000 ! spec=15NN...12AB, no=834, id=1726, vol=3.165611e+05
assign (segid "   D" and resid   28 and name   HN) (segid "   D" and resid   49 and name  HE3) 4.509 2.541 2.541 weight 1.000 ! spec=15NN...12AB, no=836, id=1727, vol=2.617865e+05
assign (segid "   D" and resid   28 and name   HN) (segid "   D" and resid   28 and name  HG1) 5.052 3.191 3.191 weight 1.000 ! spec=15NN...12AB, no=837, id=1728, vol=2.755938e+05
assign (segid "   D" and resid   29 and name   HN) (segid "   D" and resid   10 and name  HB2) 3.770 1.777 1.777 weight 1.000 ! spec=15NN...12AB, no=840, id=1729, vol=3.171890e+05
assign (segid "   D" and resid   29 and name   HN) (segid "   D" and resid   10 and name  HB1) 4.183 2.187 2.187 weight 1.000 ! spec=15NN...12AB, no=841, id=1730, vol=3.120087e+05
assign (segid "   D" and resid   45 and name  HE3) (segid "   D" and resid   45 and name  HB2) 3.981 1.981 1.981 weight 1.000 ! spec=2103..._D2O, no=1, id=851, vol=4.338480e+05
assign (segid "   D" and resid   45 and name  HE3) (segid "   D" and resid   45 and name  HB1) 2.576 0.829 0.829 weight 1.000 ! spec=2103..._D2O, no=2, id=852, vol=6.182616e+05
assign (segid "   D" and resid   35 and name HD12) (segid "   D" and resid   45 and name  HZ2) 2.678 0.897 0.897 weight 1.000 ! spec=2103..._D2O, no=6, id=853, vol=7.244651e+05
    or (segid "   D" and resid   35 and name HD11) (segid "   D" and resid   45 and name  HZ2)
    or (segid "   D" and resid   35 and name HD13) (segid "   D" and resid   45 and name  HZ2)
assign (segid "   D" and resid   45 and name  HD1) (segid "   D" and resid   45 and name  HB2) 2.634 0.867 0.867 weight 1.000 ! spec=2103..._D2O, no=7, id=854, vol=7.213001e+05
assign (segid "   D" and resid   45 and name  HD1) (segid "   D" and resid   45 and name  HB1) 3.485 1.518 1.518 weight 1.000 ! spec=2103..._D2O, no=8, id=855, vol=5.992171e+05
assign (segid "   D" and resid   31 and name  HD2) (segid "   D" and resid   31 and name  HB2) 3.578 1.600 1.600 weight 1.000 ! spec=2103..._D2O, no=9, id=856, vol=4.073525e+05
assign (segid "   D" and resid   31 and name  HD2) (segid "   D" and resid   31 and name  HB1) 2.599 0.845 0.845 weight 1.000 ! spec=2103..._D2O, no=10, id=857, vol=8.324580e+05
assign (segid "   D" and resid    9 and name  HB2) (segid "   D" and resid   31 and name  HE1) 2.642 0.872 0.872 weight 1.000 ! spec=2103..._D2O, no=14, id=859, vol=7.599358e+05
assign (segid "   D" and resid   31 and name  HD2) (segid "   D" and resid   18 and name HD22) 2.491 0.776 0.776 weight 1.000 ! spec=2103..._D2O, no=15, id=860, vol=9.900961e+05
    or (segid "   D" and resid   31 and name  HD2) (segid "   D" and resid   18 and name HD21)
    or (segid "   D" and resid   31 and name  HD2) (segid "   D" and resid   18 and name HD23)
assign (segid "   D" and resid   18 and name HD22) (segid "   D" and resid   31 and name  HE1) 3.445 1.484 1.484 weight 1.000 ! spec=2103..._D2O, no=16, id=861, vol=4.466076e+05
    or (segid "   D" and resid   18 and name HD21) (segid "   D" and resid   31 and name  HE1)
    or (segid "   D" and resid   18 and name HD23) (segid "   D" and resid   31 and name  HE1)
assign (segid "   D" and resid   49 and name  HE3) (segid "   D" and resid   49 and name  HB2) 3.435 1.475 1.475 weight 1.000 ! spec=2103..._D2O, no=17, id=862, vol=5.735306e+05
assign (segid "   D" and resid   80 and name  HE1) (segid "   D" and resid   80 and name  HB2) 3.671 1.685 1.685 weight 1.000 ! spec=2103..._D2O, no=18, id=863, vol=4.076304e+05
    or (segid "   D" and resid   80 and name  HE2) (segid "   D" and resid   80 and name  HB2)
assign (segid "   D" and resid   80 and name  HD1) (segid "   D" and resid   80 and name  HB2) 3.019 1.139 1.139 weight 1.000 ! spec=2103..._D2O, no=19, id=864, vol=9.501979e+05
    or (segid "   D" and resid   80 and name  HD2) (segid "   D" and resid   80 and name  HB2)
assign (segid "   D" and resid   80 and name  HD1) (segid "   D" and resid   80 and name  HB1) 3.057 1.168 1.168 weight 1.000 ! spec=2103..._D2O, no=20, id=865, vol=8.680532e+05
    or (segid "   D" and resid   80 and name  HD2) (segid "   D" and resid   80 and name  HB1)
assign (segid "   D" and resid   80 and name  HE1) (segid "   D" and resid   80 and name  HB1) 4.104 2.105 2.105 weight 1.000 ! spec=2103..._D2O, no=21, id=866, vol=2.143282e+05
    or (segid "   D" and resid   80 and name  HE2) (segid "   D" and resid   80 and name  HB1)
assign (segid "   D" and resid   30 and name  HD1) (segid "   D" and resid   10 and name  HB2) 3.881 1.883 1.883 weight 1.000 ! spec=2103..._D2O, no=22, id=867, vol=4.730619e+05
    or (segid "   D" and resid   30 and name  HD2) (segid "   D" and resid   10 and name  HB2)
assign (segid "   D" and resid   49 and name  HB1) (segid "   D" and resid   49 and name  HE3) 2.778 0.964 0.964 weight 1.000 ! spec=2103..._D2O, no=23, id=868, vol=5.163549e+05
assign (segid "   D" and resid   45 and name  HZ3) (segid "   D" and resid   45 and name  HH2) 2.623 0.860 0.860 weight 1.000 ! spec=2103..._D2O, no=25, id=869, vol=8.011269e+05
assign (segid "   D" and resid   45 and name  HH2) (segid "   D" and resid   45 and name  HZ2) 2.600 0.845 0.845 weight 1.000 ! spec=2103..._D2O, no=26, id=870, vol=8.855560e+05
assign (segid "   D" and resid   49 and name  HE3) (segid "   D" and resid   49 and name  HZ3) 2.648 0.876 0.876 weight 1.000 ! spec=2103..._D2O, no=27, id=871, vol=8.967499e+05
assign (segid "   D" and resid   49 and name  HH2) (segid "   D" and resid   49 and name  HZ2) 2.598 0.844 0.844 weight 1.000 ! spec=2103..._D2O, no=30, id=873, vol=1.032863e+06
assign (segid "   D" and resid   50 and name  HE1) (segid "   D" and resid   49 and name  HE3) 3.151 1.241 1.241 weight 1.000 ! spec=2103..._D2O, no=33, id=874, vol=4.095044e+05
assign (segid "   D" and resid   49 and name  HD1) (segid "   D" and resid   49 and name   HA) 2.413 0.728 0.728 weight 1.000 ! spec=2103..._D2O, no=36, id=875, vol=1.054099e+06
assign (segid "   D" and resid   49 and name  HZ2) (segid "   D" and resid   64 and name   HA) 2.674 0.894 0.894 weight 1.000 ! spec=2103..._D2O, no=37, id=876, vol=8.086890e+05
assign (segid "   D" and resid   45 and name  HE3) (segid "   D" and resid   45 and name   HA) 3.404 1.449 1.449 weight 1.000 ! spec=2103..._D2O, no=39, id=877, vol=6.876054e+05
assign (segid "   D" and resid   69 and name  HB2) (segid "   D" and resid   49 and name  HD1) 4.022 2.022 2.022 weight 1.000 ! spec=2103..._D2O, no=40, id=878, vol=4.193446e+05
assign (segid "   D" and resid   74 and name  HE1) (segid "   D" and resid   55 and name   HA) 3.982 1.982 1.982 weight 1.000 ! spec=2103..._D2O, no=41, id=879, vol=6.742835e+05
assign (segid "   D" and resid   50 and name  HD2) (segid "   D" and resid   46 and name   HA) 3.734 1.742 1.742 weight 1.000 ! spec=2103..._D2O, no=42, id=880, vol=2.711212e+05
assign (segid "   D" and resid   50 and name  HD2) (segid "   D" and resid   50 and name  HB1) 3.506 1.536 1.536 weight 1.000 ! spec=2103..._D2O, no=43, id=881, vol=3.733608e+05
assign (segid "   D" and resid   74 and name  HE1) (segid "   D" and resid   55 and name  HB2) 3.506 1.536 1.536 weight 1.000 ! spec=2103..._D2O, no=44, id=882, vol=1.385300e+06
assign (segid "   D" and resid   50 and name  HD2) (segid "   D" and resid   50 and name  HB2) 2.826 0.998 0.998 weight 1.000 ! spec=2103..._D2O, no=45, id=883, vol=5.468109e+05
assign (segid "   D" and resid   74 and name  HE1) (segid "   D" and resid   55 and name  HB1) 1.780 0.396 0.396 weight 1.000 ! spec=2103..._D2O, no=46, id=884, vol=1.932854e+06
assign (segid "   D" and resid   50 and name  HD2) (segid "   D" and resid   49 and name  HB1) 3.894 1.895 1.895 weight 1.000 ! spec=2103..._D2O, no=47, id=885, vol=1.346456e+05
assign (segid "   D" and resid   74 and name  HE1) (segid "   D" and resid   54 and name   HB) 3.198 1.278 1.278 weight 1.000 ! spec=2103..._D2O, no=49, id=886, vol=2.526704e+05
assign (segid "   D" and resid   93 and name  HE1) (segid "   D" and resid   93 and name  HB2) 3.287 1.351 2.713 weight 1.000 ! spec=2103..._D2O, no=53, id=888, vol=7.188331e+05
assign (segid "   D" and resid   93 and name  HE1) (segid "   D" and resid   66 and name  HB2) 3.054 1.166 1.166 weight 1.000 ! spec=2103..._D2O, no=54, id=889, vol=1.312666e+06
assign (segid "   D" and resid   49 and name  HD1) (segid "   D" and resid   69 and name  HB1) 3.280 1.344 1.344 weight 1.000 ! spec=2103..._D2O, no=55, id=890, vol=1.700504e+05
assign (segid "   D" and resid   49 and name  HD1) (segid "   D" and resid   49 and name  HB2) 3.552 1.577 1.577 weight 1.000 ! spec=2103..._D2O, no=56, id=891, vol=2.096720e+05
assign (segid "   D" and resid   49 and name  HZ2) (segid "   D" and resid   62 and name  HB1) 3.249 1.319 1.319 weight 1.000 ! spec=2103..._D2O, no=57, id=892, vol=2.950000e+05
assign (segid "   D" and resid   49 and name  HZ2) (segid "   D" and resid   64 and name  HG1) 3.916 1.917 1.917 weight 1.000 ! spec=2103..._D2O, no=58, id=893, vol=2.278836e+05
assign (segid "   D" and resid   49 and name  HZ2) (segid "   D" and resid   62 and name  HB2) 3.446 1.484 1.484 weight 1.000 ! spec=2103..._D2O, no=59, id=894, vol=2.316542e+05
assign (segid "   D" and resid   35 and name HD12) (segid "   D" and resid   45 and name  HH2) 2.741 0.939 0.939 weight 1.000 ! spec=2103..._D2O, no=68, id=897, vol=3.967442e+05
    or (segid "   D" and resid   35 and name HD11) (segid "   D" and resid   45 and name  HH2)
    or (segid "   D" and resid   35 and name HD13) (segid "   D" and resid   45 and name  HH2)
assign (segid "   D" and resid   62 and name  HD1) (segid "   D" and resid   62 and name  HB2) 3.205 1.284 1.284 weight 1.000 ! spec=2103..._D2O, no=70, id=899, vol=6.423029e+05
    or (segid "   D" and resid   62 and name  HD2) (segid "   D" and resid   62 and name  HB2)
assign (segid "   D" and resid   69 and name  HB1) (segid "   D" and resid   62 and name  HD1) 3.716 1.726 1.726 weight 1.000 ! spec=2103..._D2O, no=71, id=900, vol=3.099566e+05
    or (segid "   D" and resid   69 and name  HB1) (segid "   D" and resid   62 and name  HD2)
assign (segid "   D" and resid   62 and name  HD1) (segid "   D" and resid   62 and name  HB1) 3.261 1.329 1.329 weight 1.000 ! spec=2103..._D2O, no=72, id=901, vol=5.792159e+05
    or (segid "   D" and resid   62 and name  HD2) (segid "   D" and resid   62 and name  HB1)
assign (segid "   D" and resid   74 and name  HD2) (segid "   D" and resid   74 and name  HB1) 3.024 1.143 1.143 weight 1.000 ! spec=2103..._D2O, no=75, id=902, vol=5.570134e+05
assign (segid "   D" and resid   74 and name  HD2) (segid "   D" and resid   74 and name  HB2) 3.667 1.681 1.681 weight 1.000 ! spec=2103..._D2O, no=76, id=903, vol=3.622725e+05
assign (segid "   D" and resid   93 and name  HD2) (segid "   D" and resid   93 and name  HB2) 2.682 0.899 0.899 weight 1.000 ! spec=2103..._D2O, no=77, id=904, vol=7.700880e+05
assign (segid "   D" and resid   45 and name  HZ2) (segid "   D" and resid   48 and name  HD2) 3.288 1.351 1.351 weight 1.000 ! spec=2103..._D2O, no=79, id=905, vol=4.487765e+05
assign (segid "   D" and resid   30 and name  HD1) (segid "   D" and resid   10 and name  HB1) 3.287 1.350 1.350 weight 1.000 ! spec=2103..._D2O, no=80, id=906, vol=5.076918e+05
    or (segid "   D" and resid   30 and name  HD2) (segid "   D" and resid   10 and name  HB1)
assign (segid "   D" and resid   62 and name  HD1) (segid "   D" and resid   50 and name   HA) 3.718 1.728 1.728 weight 1.000 ! spec=2103..._D2O, no=82, id=907, vol=3.030044e+05
    or (segid "   D" and resid   62 and name  HD2) (segid "   D" and resid   50 and name   HA)
assign (segid "   D" and resid   62 and name  HD1) (segid "   D" and resid   69 and name  HB2) 3.433 1.473 1.473 weight 1.000 ! spec=2103..._D2O, no=83, id=908, vol=4.713765e+05
    or (segid "   D" and resid   62 and name  HD2) (segid "   D" and resid   69 and name  HB2)
assign (segid "   D" and resid   62 and name  HE1) (segid "   D" and resid   60 and name   HA) 3.072 1.180 1.180 weight 1.000 ! spec=2103..._D2O, no=84, id=909, vol=1.135647e+06
    or (segid "   D" and resid   62 and name  HE2) (segid "   D" and resid   60 and name   HA)
assign (segid "   D" and resid   62 and name  HE1) (segid "   D" and resid   62 and name   HA) 4.277 2.287 2.287 weight 1.000 ! spec=2103..._D2O, no=85, id=910, vol=1.562878e+05
    or (segid "   D" and resid   62 and name  HE2) (segid "   D" and resid   62 and name   HA)
assign (segid "   D" and resid   45 and name  HZ3) (segid "   D" and resid   21 and name   HA) 2.965 1.099 1.099 weight 1.000 ! spec=2103..._D2O, no=86, id=911, vol=3.690168e+05
assign (segid "   D" and resid   49 and name  HZ3) (segid "   D" and resid   27 and name  HD2) 3.155 1.244 1.244 weight 1.000 ! spec=2103..._D2O, no=87, id=912, vol=2.051018e+05
assign (segid "   D" and resid   62 and name  HE1) (segid "   D" and resid   61 and name   HA) 3.988 1.988 1.988 weight 1.000 ! spec=2103..._D2O, no=88, id=913, vol=1.798229e+05
    or (segid "   D" and resid   62 and name  HE2) (segid "   D" and resid   61 and name   HA)
assign (segid "   D" and resid   74 and name   HA) (segid "   D" and resid   74 and name  HD2) 2.206 0.608 0.608 weight 1.000 ! spec=2103..._D2O, no=89, id=914, vol=2.611542e+06
assign (segid "   D" and resid   31 and name  HD2) (segid "   D" and resid   31 and name   HA) 2.528 0.799 0.799 weight 1.000 ! spec=2103..._D2O, no=90, id=915, vol=1.019758e+06
assign (segid "   D" and resid   31 and name  HD2) (segid "   D" and resid   18 and name   HA) 3.124 1.220 1.220 weight 1.000 ! spec=2103..._D2O, no=91, id=916, vol=3.047010e+05
assign (segid "   D" and resid   80 and name  HD1) (segid "   D" and resid   80 and name   HA) 3.873 1.875 1.875 weight 1.000 ! spec=2103..._D2O, no=96, id=919, vol=4.817552e+05
    or (segid "   D" and resid   80 and name  HD2) (segid "   D" and resid   80 and name   HA)
assign (segid "   D" and resid   10 and name  HD1) (segid "   D" and resid   10 and name   HA) 2.965 1.099 1.099 weight 1.000 ! spec=2103..._D2O, no=97, id=920, vol=1.288184e+06
    or (segid "   D" and resid   10 and name  HD2) (segid "   D" and resid   10 and name   HA)
assign (segid "   D" and resid   80 and name  HD1) (segid "   D" and resid   78 and name   HA) 4.020 2.020 2.020 weight 1.000 ! spec=2103..._D2O, no=98, id=921, vol=1.809998e+05
    or (segid "   D" and resid   80 and name  HD2) (segid "   D" and resid   78 and name   HA)
assign (segid "   D" and resid   80 and name  HE1) (segid "   D" and resid   82 and name   HA) 3.732 1.741 1.741 weight 1.000 ! spec=2103..._D2O, no=99, id=922, vol=2.493581e+05
    or (segid "   D" and resid   80 and name  HE2) (segid "   D" and resid   82 and name   HA)
assign (segid "   D" and resid   80 and name  HD1) (segid "   D" and resid   91 and name   HA) 4.026 2.026 2.026 weight 1.000 ! spec=2103..._D2O, no=102, id=925, vol=2.152946e+05
    or (segid "   D" and resid   80 and name  HD2) (segid "   D" and resid   91 and name   HA)
assign (segid "   D" and resid   93 and name  HD2) (segid "   D" and resid   65 and name   HA) 4.455 2.480 2.480 weight 1.000 ! spec=2103..._D2O, no=105, id=926, vol=2.690549e+05
assign (segid "   D" and resid   31 and name  HE1) (segid "   D" and resid    9 and name   HA) 4.541 2.578 2.578 weight 1.000 ! spec=2103..._D2O, no=106, id=927, vol=1.801765e+05
assign (segid "   D" and resid   63 and name   HA) (segid "   D" and resid   89 and name   HA) 2.797 0.978 0.978 weight 1.000 ! spec=2103..._D2O, no=107, id=928, vol=5.864739e+05
assign (segid "   D" and resid   45 and name  HZ3) (segid "   D" and resid   19 and name HG22) 3.155 1.245 1.245 weight 1.000 ! spec=2103..._D2O, no=119, id=939, vol=2.190806e+05
    or (segid "   D" and resid   45 and name  HZ3) (segid "   D" and resid   19 and name HG21)
    or (segid "   D" and resid   45 and name  HZ3) (segid "   D" and resid   19 and name HG23)
assign (segid "   D" and resid   80 and name  HE1) (segid "   D" and resid   91 and name HG21) 3.106 1.206 1.206 weight 1.000 ! spec=2103..._D2O, no=121, id=941, vol=5.751669e+05
    or (segid "   D" and resid   80 and name  HE1) (segid "   D" and resid   91 and name HG22)
    or (segid "   D" and resid   80 and name  HE1) (segid "   D" and resid   91 and name HG23)
    or (segid "   D" and resid   80 and name  HE2) (segid "   D" and resid   91 and name HG21)
    or (segid "   D" and resid   80 and name  HE2) (segid "   D" and resid   91 and name HG22)
    or (segid "   D" and resid   80 and name  HE2) (segid "   D" and resid   91 and name HG23)
assign (segid "   D" and resid   74 and name  HD2) (segid "   D" and resid   73 and name  HB1) 3.620 1.638 1.638 weight 1.000 ! spec=2103..._D2O, no=124, id=942, vol=1.713729e+05
assign (segid "   D" and resid   93 and name  HD2) (segid "   D" and resid   65 and name  HB2) 3.140 1.233 1.233 weight 1.000 ! spec=2103..._D2O, no=126, id=943, vol=2.209131e+05
assign (segid "   D" and resid   54 and name HG22) (segid "   D" and resid   74 and name  HD2) 3.366 1.417 1.417 weight 1.000 ! spec=2103..._D2O, no=127, id=944, vol=4.357054e+05
    or (segid "   D" and resid   54 and name HG21) (segid "   D" and resid   74 and name  HD2)
    or (segid "   D" and resid   54 and name HG23) (segid "   D" and resid   74 and name  HD2)
assign (segid "   D" and resid   93 and name  HE1) (segid "   D" and resid   65 and name  HB1) 3.460 1.497 1.497 weight 1.000 ! spec=2103..._D2O, no=128, id=945, vol=3.073462e+05
assign (segid "   D" and resid   93 and name  HE1) (segid "   D" and resid   65 and name  HB2) 3.281 1.346 1.346 weight 1.000 ! spec=2103..._D2O, no=130, id=946, vol=2.958199e+05
assign (segid "   D" and resid   49 and name  HZ2) (segid "   D" and resid   49 and name  HZ3) 4.197 2.202 2.202 weight 1.000 ! spec=2103..._D2O, no=139, id=952, vol=2.245691e+05
assign (segid "   D" and resid   45 and name  HZ3) (segid "   D" and resid   45 and name  HE3) 2.633 0.867 0.867 weight 1.000 ! spec=2103..._D2O, no=140, id=953, vol=8.317046e+05
assign (segid "   D" and resid   93 and name  HD2) (segid "   D" and resid   89 and name   HA) 3.579 1.601 1.601 weight 1.000 ! spec=2103..._D2O, no=142, id=954, vol=2.623458e+05
assign (segid "   D" and resid   50 and name  HE1) (segid "   D" and resid   26 and name   HA) 3.611 1.630 1.630 weight 1.000 ! spec=2103..._D2O, no=144, id=955, vol=1.679560e+05
assign (segid "   D" and resid   49 and name  HH2) (segid "   D" and resid   28 and name  HE2) 3.383 1.431 1.431 weight 1.000 ! spec=2103..._D2O, no=145, id=956, vol=1.470454e+05
assign (segid "   D" and resid   49 and name  HZ3) (segid "   D" and resid   28 and name  HE2) 3.836 1.839 1.839 weight 1.000 ! spec=2103..._D2O, no=146, id=957, vol=1.524968e+05
assign (segid "   D" and resid   90 and name   HA) (segid "   D" and resid   91 and name HG21) 3.748 1.756 1.756 weight 1.000 ! spec=2103..._D2O, no=149, id=959, vol=1.571646e+05
    or (segid "   D" and resid   90 and name   HA) (segid "   D" and resid   91 and name HG22)
    or (segid "   D" and resid   90 and name   HA) (segid "   D" and resid   91 and name HG23)
assign (segid "   D" and resid   62 and name  HE1) (segid "   D" and resid   62 and name  HD1) 3.010 1.132 1.132 weight 1.000 ! spec=2103..._D2O, no=150, id=960, vol=1.729740e+06
    or (segid "   D" and resid   62 and name  HE1) (segid "   D" and resid   62 and name  HD2)
    or (segid "   D" and resid   62 and name  HE2) (segid "   D" and resid   62 and name  HD1)
    or (segid "   D" and resid   62 and name  HE2) (segid "   D" and resid   62 and name  HD2)
assign (segid "   D" and resid   10 and name  HE1) (segid "   D" and resid   49 and name  HZ2) 4.039 2.039 2.039 weight 1.000 ! spec=2103..._D2O, no=152, id=961, vol=2.249671e+05
    or (segid "   D" and resid   10 and name  HE2) (segid "   D" and resid   49 and name  HZ2)
assign (segid "   D" and resid   62 and name  HD1) (segid "   D" and resid   49 and name  HZ2) 4.549 2.587 2.587 weight 1.000 ! spec=2103..._D2O, no=153, id=962, vol=2.155394e+05
    or (segid "   D" and resid   62 and name  HD2) (segid "   D" and resid   49 and name  HZ2)
assign (segid "   D" and resid   45 and name  HZ3) (segid "   D" and resid   35 and name HD12) 3.941 1.941 1.941 weight 1.000 ! spec=2103..._D2O, no=154, id=963, vol=1.726980e+05
    or (segid "   D" and resid   45 and name  HZ3) (segid "   D" and resid   35 and name HD11)
    or (segid "   D" and resid   45 and name  HZ3) (segid "   D" and resid   35 and name HD13)
assign (segid "   D" and resid   45 and name  HE3) (segid "   D" and resid   45 and name  HH2) 4.762 2.835 2.835 weight 1.000 ! spec=2103..._D2O, no=166, id=966, vol=9.194188e+04
assign (segid "   D" and resid   50 and name  HE1) (segid "   D" and resid   49 and name  HZ3) 4.193 2.198 2.198 weight 1.000 ! spec=2103..._D2O, no=167, id=967, vol=1.179445e+05
assign (segid "   D" and resid   45 and name  HZ3) (segid "   D" and resid   48 and name  HD2) 4.950 3.062 3.062 weight 1.000 ! spec=2103..._D2O, no=171, id=968, vol=7.618125e+04
assign (segid "   D" and resid   45 and name  HH2) (segid "   D" and resid   48 and name  HD2) 3.798 1.804 1.804 weight 1.000 ! spec=2103..._D2O, no=172, id=969, vol=1.121461e+05
assign (segid "   D" and resid   62 and name  HE1) (segid "   D" and resid   50 and name  HB1) 4.361 2.377 2.377 weight 1.000 ! spec=2103..._D2O, no=173, id=970, vol=1.433454e+05
    or (segid "   D" and resid   62 and name  HE2) (segid "   D" and resid   50 and name  HB1)
assign (segid "   D" and resid   45 and name  HZ3) (segid "   D" and resid   45 and name  HB1) 4.798 2.877 2.877 weight 1.000 ! spec=2103..._D2O, no=175, id=972, vol=1.364335e+05
assign (segid "   D" and resid   45 and name  HZ3) (segid "   D" and resid   21 and name  HB2) 3.933 1.933 1.933 weight 1.000 ! spec=2103..._D2O, no=176, id=973, vol=1.486391e+05
assign (segid "   D" and resid   30 and name  HE1) (segid "   D" and resid   10 and name  HB1) 4.305 2.316 2.316 weight 1.000 ! spec=2103..._D2O, no=177, id=974, vol=1.087951e+05
    or (segid "   D" and resid   30 and name  HE2) (segid "   D" and resid   10 and name  HB1)
assign (segid "   D" and resid   50 and name  HE1) (segid "   D" and resid   21 and name  HB1) 3.891 1.892 1.892 weight 1.000 ! spec=2103..._D2O, no=179, id=976, vol=3.041294e+05
assign (segid "   D" and resid   50 and name  HE1) (segid "   D" and resid   49 and name  HB1) 4.072 2.073 2.073 weight 1.000 ! spec=2103..._D2O, no=180, id=977, vol=8.696175e+04
assign (segid "   D" and resid   74 and name  HE1) (segid "   D" and resid   74 and name  HD2) 4.511 2.544 2.544 weight 1.000 ! spec=2103..._D2O, no=187, id=981, vol=6.864600e+04
assign (segid "   D" and resid   74 and name  HE1) (segid "   D" and resid   73 and name  HB1) 4.077 2.078 2.078 weight 1.000 ! spec=2103..._D2O, no=193, id=985, vol=8.446400e+04
assign (segid "   D" and resid   74 and name  HD2) (segid "   D" and resid   54 and name HG12) 2.777 0.964 0.964 weight 1.000 ! spec=2103..._D2O, no=194, id=986, vol=6.356492e+05
    or (segid "   D" and resid   74 and name  HD2) (segid "   D" and resid   54 and name HG11)
    or (segid "   D" and resid   74 and name  HD2) (segid "   D" and resid   54 and name HG13)
assign (segid "   D" and resid   74 and name  HE1) (segid "   D" and resid   54 and name HG12) 2.594 0.841 0.841 weight 1.000 ! spec=2103..._D2O, no=195, id=987, vol=5.848298e+05
    or (segid "   D" and resid   74 and name  HE1) (segid "   D" and resid   54 and name HG11)
    or (segid "   D" and resid   74 and name  HE1) (segid "   D" and resid   54 and name HG13)
assign (segid "   D" and resid   74 and name  HD2) (segid "   D" and resid   73 and name   HA) 4.616 2.664 2.664 weight 1.000 ! spec=2103..._D2O, no=197, id=988, vol=1.027372e+05
assign (segid "   D" and resid   31 and name  HD2) (segid "   D" and resid   17 and name  HG2) 4.039 2.040 2.040 weight 1.000 ! spec=2103..._D2O, no=199, id=989, vol=1.023935e+05
assign (segid "   D" and resid   93 and name  HE1) (segid "   D" and resid   65 and name  HG2) 5.160 3.328 3.328 weight 1.000 ! spec=2103..._D2O, no=200, id=990, vol=7.567575e+04
assign (segid "   D" and resid   93 and name  HE1) (segid "   D" and resid   92 and name  HB2) 3.743 1.751 1.751 weight 1.000 ! spec=2103..._D2O, no=203, id=992, vol=9.594762e+04
assign (segid "   D" and resid   93 and name  HD2) (segid "   D" and resid   65 and name  HB1) 4.164 2.167 2.167 weight 1.000 ! spec=2103..._D2O, no=205, id=993, vol=1.023769e+05
assign (segid "   D" and resid   93 and name  HE1) (segid "   D" and resid   92 and name  HB1) 4.437 2.461 2.461 weight 1.000 ! spec=2103..._D2O, no=206, id=994, vol=9.251512e+04
assign (segid "   D" and resid   31 and name  HD2) (segid "   D" and resid   18 and name   HG) 3.629 1.646 1.646 weight 1.000 ! spec=2103..._D2O, no=208, id=995, vol=1.054711e+05
assign (segid "   D" and resid   31 and name  HE1) (segid "   D" and resid   18 and name   HG) 4.468 2.495 2.495 weight 1.000 ! spec=2103..._D2O, no=209, id=996, vol=1.061131e+05
assign (segid "   D" and resid   93 and name  HB1) (segid "   D" and resid   93 and name  HD2) 3.058 1.169 1.169 weight 1.000 ! spec=2103..._D2O, no=210, id=997, vol=5.919555e+05
assign (segid "   D" and resid   31 and name  HD2) (segid "   D" and resid   17 and name   HA) 4.033 2.033 2.033 weight 1.000 ! spec=2103..._D2O, no=211, id=998, vol=1.446555e+05
assign (segid "   D" and resid   31 and name  HD2) (segid "   D" and resid    9 and name   HA) 4.778 2.853 2.853 weight 1.000 ! spec=2103..._D2O, no=213, id=999, vol=8.186638e+04
assign (segid "   D" and resid   31 and name  HE1) (segid "   D" and resid   15 and name   HA) 3.970 1.970 1.970 weight 1.000 ! spec=2103..._D2O, no=214, id=1000, vol=1.330491e+05
assign (segid "   D" and resid   31 and name  HE1) (segid "   D" and resid   30 and name   HA) 4.903 3.005 3.005 weight 1.000 ! spec=2103..._D2O, no=215, id=1001, vol=7.075350e+04
assign (segid "   D" and resid   93 and name  HD2) (segid "   D" and resid   90 and name   HA) 4.782 2.859 2.859 weight 1.000 ! spec=2103..._D2O, no=216, id=1002, vol=7.513175e+04
assign (segid "   D" and resid   29 and name   HA) (segid "   D" and resid   20 and name  HB1) 5.327 3.547 3.547 weight 1.000 ! spec=2103..._D2O, no=223, id=1008, vol=7.981225e+04
assign (segid "   D" and resid   29 and name   HA) (segid "   D" and resid   20 and name  HB2) 3.958 1.958 1.958 weight 1.000 ! spec=2103..._D2O, no=224, id=1009, vol=1.364839e+05
assign (segid "   D" and resid   29 and name   HA) (segid "   D" and resid   18 and name  HB2) 4.665 2.721 2.721 weight 1.000 ! spec=2103..._D2O, no=231, id=1016, vol=1.425280e+05
assign (segid "   D" and resid   29 and name   HA) (segid "   D" and resid   18 and name  HB1) 4.167 2.171 2.171 weight 1.000 ! spec=2103..._D2O, no=232, id=1017, vol=8.373912e+04
assign (segid "   D" and resid   29 and name   HA) (segid "   D" and resid   18 and name   HG) 4.759 2.831 2.831 weight 1.000 ! spec=2103..._D2O, no=235, id=1020, vol=1.012608e+05
assign (segid "   D" and resid   30 and name   HA) (segid "   D" and resid   29 and name HG12) 3.573 1.596 1.596 weight 1.000 ! spec=2103..._D2O, no=238, id=1022, vol=1.052680e+05
    or (segid "   D" and resid   30 and name   HA) (segid "   D" and resid   29 and name HG11)
    or (segid "   D" and resid   30 and name   HA) (segid "   D" and resid   29 and name HG13)
assign (segid "   D" and resid   67 and name   HA) (segid "   D" and resid   49 and name   HA) 4.395 2.414 2.414 weight 1.000 ! spec=2103..._D2O, no=242, id=1026, vol=1.808716e+05
assign (segid "   D" and resid   29 and name   HA) (segid "   D" and resid   18 and name HD22) 4.626 2.675 2.675 weight 1.000 ! spec=2103..._D2O, no=247, id=1030, vol=6.681062e+04
    or (segid "   D" and resid   29 and name   HA) (segid "   D" and resid   18 and name HD21)
    or (segid "   D" and resid   29 and name   HA) (segid "   D" and resid   18 and name HD23)
assign (segid "   D" and resid   45 and name  HH2) (segid "   D" and resid   45 and name   HA) 4.774 2.849 2.849 weight 1.000 ! spec=2103..._D2O, no=249, id=1032, vol=7.512688e+04
assign (segid "   D" and resid   62 and name  HE1) (segid "   D" and resid   62 and name  HB1) 4.613 2.660 2.660 weight 1.000 ! spec=2103..._D2O, no=250, id=1033, vol=1.030478e+05
    or (segid "   D" and resid   62 and name  HE2) (segid "   D" and resid   62 and name  HB1)
assign (segid "   D" and resid   10 and name  HD1) (segid "   D" and resid   10 and name  HE1) 4.718 2.782 2.782 weight 1.000 ! spec=2103..._D2O, no=253, id=1034, vol=1.226849e+05
    or (segid "   D" and resid   10 and name  HD1) (segid "   D" and resid   10 and name  HE2)
    or (segid "   D" and resid   10 and name  HD2) (segid "   D" and resid   10 and name  HE1)
    or (segid "   D" and resid   10 and name  HD2) (segid "   D" and resid   10 and name  HE2)
assign (segid "   D" and resid   10 and name  HE1) (segid "   D" and resid   67 and name   HA) 4.233 2.240 2.240 weight 1.000 ! spec=2103..._D2O, no=255, id=1035, vol=1.362675e+05
    or (segid "   D" and resid   10 and name  HE2) (segid "   D" and resid   67 and name   HA)
assign (segid "   D" and resid   10 and name  HE1) (segid "   D" and resid   65 and name   HA) 5.131 3.291 3.291 weight 1.000 ! spec=2103..._D2O, no=256, id=1036, vol=1.156968e+05
    or (segid "   D" and resid   10 and name  HE2) (segid "   D" and resid   65 and name   HA)
assign (segid "   D" and resid   10 and name  HD1) (segid "   D" and resid   28 and name  HB1) 5.048 3.185 3.185 weight 1.000 ! spec=2103..._D2O, no=267, id=1037, vol=1.110014e+05
    or (segid "   D" and resid   10 and name  HD2) (segid "   D" and resid   28 and name  HB1)
assign (segid "   D" and resid   30 and name  HE1) (segid "   D" and resid   67 and name  HB1) 3.673 1.686 1.686 weight 1.000 ! spec=2103..._D2O, no=268, id=1038, vol=1.888920e+05
    or (segid "   D" and resid   30 and name  HE2) (segid "   D" and resid   67 and name  HB1)
assign (segid "   D" and resid   30 and name  HD1) (segid "   D" and resid   28 and name  HB2) 5.212 3.396 3.396 weight 1.000 ! spec=2103..._D2O, no=269, id=1039, vol=9.427488e+04
    or (segid "   D" and resid   30 and name  HD2) (segid "   D" and resid   28 and name  HB2)
assign (segid "   D" and resid   30 and name  HE1) (segid "   D" and resid   28 and name  HB2) 5.340 3.565 3.565 weight 1.000 ! spec=2103..._D2O, no=270, id=1040, vol=8.638150e+04
    or (segid "   D" and resid   30 and name  HE2) (segid "   D" and resid   28 and name  HB2)
assign (segid "   D" and resid   10 and name  HE1) (segid "   D" and resid   64 and name   HA) 4.354 2.369 2.369 weight 1.000 ! spec=2103..._D2O, no=273, id=1041, vol=1.381212e+05
    or (segid "   D" and resid   10 and name  HE2) (segid "   D" and resid   64 and name   HA)
assign (segid "   D" and resid   80 and name  HD1) (segid "   D" and resid   90 and name   HA) 4.271 2.281 2.281 weight 1.000 ! spec=2103..._D2O, no=274, id=1042, vol=1.445722e+05
    or (segid "   D" and resid   80 and name  HD2) (segid "   D" and resid   90 and name   HA)
assign (segid "   D" and resid   80 and name   HZ) (segid "   D" and resid   91 and name   HA) 3.621 1.639 1.639 weight 1.000 ! spec=2103..._D2O, no=275, id=1043, vol=1.621544e+05
assign (segid "   D" and resid   49 and name  HE3) (segid "   D" and resid   28 and name  HD1) 4.083 2.084 2.084 weight 1.000 ! spec=2103..._D2O, no=277, id=1044, vol=1.235171e+05
assign (segid "   D" and resid   45 and name  HH2) (segid "   D" and resid   35 and name HD22) 3.480 1.514 1.514 weight 1.000 ! spec=2103..._D2O, no=285, id=1047, vol=1.369056e+05
    or (segid "   D" and resid   45 and name  HH2) (segid "   D" and resid   35 and name HD21)
    or (segid "   D" and resid   45 and name  HH2) (segid "   D" and resid   35 and name HD23)
assign (segid "   D" and resid    8 and name   HA) (segid "   D" and resid   18 and name HD22) 3.487 1.520 1.520 weight 1.000 ! spec=2103..._D2O, no=300, id=1049, vol=1.865511e+05
    or (segid "   D" and resid    8 and name   HA) (segid "   D" and resid   18 and name HD21)
    or (segid "   D" and resid    8 and name   HA) (segid "   D" and resid   18 and name HD23)
assign (segid "   D" and resid   45 and name  HE3) (segid "   D" and resid   41 and name  HB1) 5.974 4.460 4.460 weight 1.000 ! spec=2103..._D2O, no=303, id=1050, vol=6.170062e+04
assign (segid "   D" and resid   49 and name  HZ3) (segid "   D" and resid   28 and name  HD2) 5.538 3.834 3.834 weight 1.000 ! spec=2103..._D2O, no=310, id=1053, vol=5.911738e+04
assign (segid "   D" and resid   49 and name  HE3) (segid "   D" and resid   28 and name  HD2) 5.122 3.279 3.279 weight 1.000 ! spec=2103..._D2O, no=311, id=1054, vol=1.064680e+05
assign (segid "   D" and resid   80 and name  HD1) (segid "   D" and resid   91 and name HG21) 3.015 1.136 1.136 weight 1.000 ! spec=2103..._D2O, no=322, id=1063, vol=6.541744e+05
    or (segid "   D" and resid   80 and name  HD1) (segid "   D" and resid   91 and name HG22)
    or (segid "   D" and resid   80 and name  HD1) (segid "   D" and resid   91 and name HG23)
    or (segid "   D" and resid   80 and name  HD2) (segid "   D" and resid   91 and name HG21)
    or (segid "   D" and resid   80 and name  HD2) (segid "   D" and resid   91 and name HG22)
    or (segid "   D" and resid   80 and name  HD2) (segid "   D" and resid   91 and name HG23)
assign (segid "   D" and resid   30 and name  HE1) (segid "   D" and resid   67 and name  HG1) 3.123 1.219 1.219 weight 1.000 ! spec=2103..._D2O, no=323, id=1064, vol=1.923476e+05
    or (segid "   D" and resid   30 and name  HE2) (segid "   D" and resid   67 and name  HG1)
assign (segid "   D" and resid   10 and name  HD1) (segid "   D" and resid   28 and name  HG1) 4.572 2.613 2.613 weight 1.000 ! spec=2103..._D2O, no=327, id=1066, vol=9.532962e+04
    or (segid "   D" and resid   10 and name  HD2) (segid "   D" and resid   28 and name  HG1)
assign (segid "   D" and resid   30 and name  HD1) (segid "   D" and resid   67 and name  HG2) 4.342 2.357 2.357 weight 1.000 ! spec=2103..._D2O, no=333, id=1067, vol=2.281506e+05
    or (segid "   D" and resid   30 and name  HD2) (segid "   D" and resid   67 and name  HG2)
assign (segid "   D" and resid   30 and name  HD1) (segid "   D" and resid   67 and name  HG1) 3.949 1.949 1.949 weight 1.000 ! spec=2103..._D2O, no=334, id=1068, vol=1.840521e+05
    or (segid "   D" and resid   30 and name  HD2) (segid "   D" and resid   67 and name  HG1)
assign (segid "   D" and resid   30 and name  HE1) (segid "   D" and resid   67 and name  HG2) 3.894 1.896 1.896 weight 1.000 ! spec=2103..._D2O, no=335, id=1069, vol=1.343442e+05
    or (segid "   D" and resid   30 and name  HE2) (segid "   D" and resid   67 and name  HG2)
assign (segid "   D" and resid   49 and name  HZ3) (segid "   D" and resid   28 and name  HD1) 3.756 1.763 1.763 weight 1.000 ! spec=2103..._D2O, no=347, id=1072, vol=6.932150e+04
assign (segid "   D" and resid   28 and name  HG1) (segid "   D" and resid   28 and name  HD1) 4.532 2.568 2.568 weight 1.000 ! spec=2103..._D2O, no=348, id=1073, vol=5.953012e+04
assign (segid "   D" and resid   10 and name  HE1) (segid "   D" and resid   28 and name  HE1) 4.354 2.369 2.369 weight 1.000 ! spec=2103..._D2O, no=357, id=1078, vol=7.960350e+04
    or (segid "   D" and resid   10 and name  HE2) (segid "   D" and resid   28 and name  HE1)
assign (segid "   D" and resid   49 and name  HZ3) (segid "   D" and resid   28 and name  HE1) 5.435 3.693 3.693 weight 1.000 ! spec=2103..._D2O, no=358, id=1079, vol=7.041288e+04
assign (segid "   D" and resid   49 and name  HH2) (segid "   D" and resid   28 and name  HE1) 4.913 3.017 3.017 weight 1.000 ! spec=2103..._D2O, no=359, id=1080, vol=1.030095e+05
assign (segid "   D" and resid   10 and name  HD1) (segid "   D" and resid   28 and name  HD2) 5.273 3.475 3.475 weight 1.000 ! spec=2103..._D2O, no=360, id=1081, vol=6.731600e+04
    or (segid "   D" and resid   10 and name  HD2) (segid "   D" and resid   28 and name  HD2)
assign (segid "   D" and resid   70 and name   HA) (segid "   D" and resid   71 and name  HB2) 5.233 3.423 3.423 weight 1.000 ! spec=2103..._D2O, no=365, id=1082, vol=1.556706e+05
assign (segid "   D" and resid   80 and name   HZ) (segid "   D" and resid   91 and name HG21) 3.322 1.379 1.379 weight 1.000 ! spec=2103..._D2O, no=367, id=1083, vol=2.504976e+05
    or (segid "   D" and resid   80 and name   HZ) (segid "   D" and resid   91 and name HG22)
    or (segid "   D" and resid   80 and name   HZ) (segid "   D" and resid   91 and name HG23)
assign (segid "   D" and resid   49 and name  HH2) (segid "   D" and resid   64 and name   HA) 4.100 2.101 2.101 weight 1.000 ! spec=2103..._D2O, no=368, id=1084, vol=1.291190e+05
assign (segid "   D" and resid   10 and name   HZ) (segid "   D" and resid   66 and name   HA) 4.042 2.043 2.043 weight 1.000 ! spec=2103..._D2O, no=369, id=1085, vol=7.824225e+04
assign (segid "   D" and resid   30 and name   HA) (segid "   D" and resid   18 and name   HG) 4.319 2.332 2.332 weight 1.000 ! spec=2103..._D2O, no=372, id=1087, vol=9.937725e+04
assign (segid "   D" and resid   10 and name  HE1) (segid "   D" and resid   28 and name  HE2) 4.910 3.013 3.013 weight 1.000 ! spec=2103..._D2O, no=374, id=1088, vol=5.028175e+04
    or (segid "   D" and resid   10 and name  HE2) (segid "   D" and resid   28 and name  HE2)
assign (segid "   D" and resid   30 and name  HE1) (segid "   D" and resid   49 and name  HD1) 4.586 2.629 2.629 weight 1.000 ! spec=2103..._D2O, no=375, id=1089, vol=1.350335e+05
    or (segid "   D" and resid   30 and name  HE2) (segid "   D" and resid   49 and name  HD1)
assign (segid "   D" and resid   92 and name  HB1) (segid "   D" and resid   92 and name  HG1) 2.656 0.882 0.882 weight 1.000 ! spec=13CN...13AB, no=19, id=6, vol=1.360126e+06
    or (segid "   D" and resid   92 and name  HB1) (segid "   D" and resid   92 and name  HG2)
assign (segid "   D" and resid   89 and name  HB1) (segid "   D" and resid   88 and name  HB1) 3.372 1.422 2.628 weight 1.000 ! spec=13CN...13AB, no=50, id=30, vol=6.967822e+05
    or (segid "   D" and resid   89 and name  HB1) (segid "   D" and resid   87 and name  HB2)
assign (segid "   D" and resid   82 and name   HA) (segid "   D" and resid   82 and name  HB2) 2.195 0.603 0.603 weight 1.000 ! spec=13CN...13AB, no=84, id=48, vol=2.894946e+06
    or (segid "   D" and resid   82 and name   HA) (segid "   D" and resid   82 and name  HB1)
assign (segid "   D" and resid   79 and name   HA) (segid "   D" and resid   79 and name   HG) 2.615 0.855 0.855 weight 1.000 ! spec=13CN...13AB, no=90, id=52, vol=7.634638e+05
    or (segid "   D" and resid   79 and name   HA) (segid "   D" and resid   79 and name  HB2)
assign (segid "   D" and resid   78 and name  HG2) (segid "   D" and resid   78 and name  HB1) 2.865 1.026 1.026 weight 1.000 ! spec=13CN...13AB, no=109, id=66, vol=7.468390e+05
    or (segid "   D" and resid   78 and name  HG1) (segid "   D" and resid   78 and name  HB1)
assign (segid "   D" and resid   78 and name  HG1) (segid "   D" and resid   78 and name  HB2) 2.687 0.903 0.903 weight 1.000 ! spec=13CN...13AB, no=110, id=67, vol=7.607784e+05
    or (segid "   D" and resid   78 and name  HG2) (segid "   D" and resid   78 and name  HB2)
assign (segid "   D" and resid   76 and name   HA) (segid "   D" and resid   76 and name  HG2) 2.347 0.689 0.689 weight 1.000 ! spec=13CN...13AB, no=118, id=73, vol=2.238917e+06
    or (segid "   D" and resid   76 and name   HA) (segid "   D" and resid   76 and name  HG1)
assign (segid "   D" and resid   73 and name  HB1) (segid "   D" and resid   73 and name  HG1) 2.710 0.918 0.918 weight 1.000 ! spec=13CN...13AB, no=129, id=84, vol=1.011653e+06
    or (segid "   D" and resid   73 and name  HB1) (segid "   D" and resid   73 and name  HG2)
assign (segid "   D" and resid   66 and name   HA) (segid "   D" and resid   66 and name  HB2) 2.421 0.733 0.733 weight 1.000 ! spec=13CN...13AB, no=148, id=100, vol=8.898490e+05
    or (segid "   D" and resid   66 and name   HA) (segid "   D" and resid   67 and name  HD1)
assign (segid "   D" and resid   64 and name  HG1) (segid "   D" and resid   64 and name  HB1) 2.699 0.911 0.911 weight 1.000 ! spec=13CN...13AB, no=163, id=114, vol=7.432617e+05
    or (segid "   D" and resid   64 and name  HG1) (segid "   D" and resid   64 and name  HB2)
assign (segid "   D" and resid   64 and name  HG2) (segid "   D" and resid   64 and name  HB1) 2.800 0.980 0.980 weight 1.000 ! spec=13CN...13AB, no=164, id=115, vol=7.338569e+05
    or (segid "   D" and resid   64 and name  HG2) (segid "   D" and resid   64 and name  HB2)
assign (segid "   D" and resid   63 and name   HA) (segid "   D" and resid   63 and name  HB1) 2.319 0.672 0.672 weight 1.000 ! spec=13CN...13AB, no=167, id=117, vol=1.897665e+06
    or (segid "   D" and resid   63 and name   HA) (segid "   D" and resid   63 and name  HB2)
assign (segid "   D" and resid   58 and name   HA) (segid "   D" and resid   58 and name  HG2) 2.564 0.822 0.822 weight 1.000 ! spec=13CN...13AB, no=177, id=127, vol=1.491494e+06
    or (segid "   D" and resid   58 and name   HA) (segid "   D" and resid   58 and name  HG1)
assign (segid "   D" and resid   43 and name  HA1) (segid "   D" and resid   42 and name  HB2) 3.531 1.559 1.559 weight 1.000 ! spec=13CN...13AB, no=231, id=175, vol=3.915856e+05
    or (segid "   D" and resid   43 and name  HA1) (segid "   D" and resid   42 and name  HB1)
    or (segid "   D" and resid   43 and name  HA1) (segid "   D" and resid   42 and name  HB3)
    or (segid "   D" and resid   43 and name  HA2) (segid "   D" and resid   42 and name  HB2)
    or (segid "   D" and resid   43 and name  HA2) (segid "   D" and resid   42 and name  HB1)
    or (segid "   D" and resid   43 and name  HA2) (segid "   D" and resid   42 and name  HB3)
assign (segid "   D" and resid   75 and name   HA) (segid "   D" and resid   75 and name  HB1) 2.286 0.653 0.653 weight 1.000 ! spec=13CN...13AB, no=235, id=177, vol=1.602407e+06
    or (segid "   D" and resid   75 and name   HA) (segid "   D" and resid   75 and name  HB2)
assign (segid "   D" and resid   75 and name   HA) (segid "   D" and resid   75 and name  HG1) 3.268 1.335 1.335 weight 1.000 ! spec=13CN...13AB, no=236, id=178, vol=4.607472e+05
    or (segid "   D" and resid   75 and name   HA) (segid "   D" and resid   79 and name  HB2)
assign (segid "   D" and resid   38 and name HG21) (segid "   D" and resid   38 and name   HB) 1.867 0.436 0.436 weight 1.000 ! spec=13CN...13AB, no=247, id=185, vol=5.894743e+06
    or (segid "   D" and resid   38 and name HG22) (segid "   D" and resid   38 and name   HB)
    or (segid "   D" and resid   38 and name HG23) (segid "   D" and resid   38 and name   HB)
    or (segid "   D" and resid   38 and name   HA) (segid "   D" and resid   38 and name HG21)
    or (segid "   D" and resid   38 and name   HA) (segid "   D" and resid   38 and name HG22)
    or (segid "   D" and resid   38 and name   HA) (segid "   D" and resid   38 and name HG23)
assign (segid "   D" and resid   24 and name  HD1) (segid "   D" and resid   23 and name  HB1) 3.345 1.399 1.399 weight 1.000 ! spec=13CN...13AB, no=282, id=211, vol=4.071003e+05
    or (segid "   D" and resid   24 and name  HD2) (segid "   D" and resid   23 and name  HB1)
assign (segid "   D" and resid   19 and name HG22) (segid "   D" and resid   19 and name   HB) 2.007 0.504 0.504 weight 1.000 ! spec=13CN...13AB, no=314, id=233, vol=2.390350e+06
    or (segid "   D" and resid   19 and name HG21) (segid "   D" and resid   19 and name   HB)
    or (segid "   D" and resid   19 and name HG23) (segid "   D" and resid   19 and name   HB)
    or (segid "   D" and resid   19 and name   HB) (segid "   D" and resid   19 and name HG12)
    or (segid "   D" and resid   19 and name   HB) (segid "   D" and resid   19 and name HG11)
    or (segid "   D" and resid   19 and name   HB) (segid "   D" and resid   19 and name HG13)
assign (segid "   D" and resid   17 and name   HA) (segid "   D" and resid   17 and name  HG1) 2.453 0.752 0.752 weight 1.000 ! spec=13CN...13AB, no=346, id=261, vol=1.766670e+06
    or (segid "   D" and resid   17 and name   HA) (segid "   D" and resid   17 and name  HG2)
assign (segid "   D" and resid   17 and name   HA) (segid "   D" and resid   17 and name  HB2) 2.112 0.557 0.557 weight 1.000 ! spec=13CN...13AB, no=347, id=262, vol=3.872628e+06
    or (segid "   D" and resid   17 and name   HA) (segid "   D" and resid   17 and name  HB1)
assign (segid "   D" and resid   17 and name  HB2) (segid "   D" and resid   17 and name  HG1) 2.055 0.528 0.528 weight 1.000 ! spec=13CN...13AB, no=349, id=264, vol=5.312899e+06
    or (segid "   D" and resid   17 and name  HB2) (segid "   D" and resid   17 and name  HG2)
    or (segid "   D" and resid   17 and name  HB1) (segid "   D" and resid   17 and name  HG2)
assign (segid "   D" and resid   14 and name  HB1) (segid "   D" and resid   14 and name   HA) 2.470 0.763 0.763 weight 1.000 ! spec=13CN...13AB, no=357, id=272, vol=1.945074e+06
    or (segid "   D" and resid   14 and name  HB2) (segid "   D" and resid   14 and name   HA)
assign (segid "   D" and resid   56 and name  HA2) (segid "   D" and resid   56 and name  HA1) 1.873 0.439 0.439 weight 1.000 ! spec=13CN...13AB, no=358, id=273, vol=3.621976e+06
    or (segid "   D" and resid   13 and name  HA2) (segid "   D" and resid   13 and name  HA1)
assign (segid "   D" and resid    8 and name   HA) (segid "   D" and resid    8 and name  HG1) 2.556 0.817 0.817 weight 1.000 ! spec=13CN...13AB, no=376, id=289, vol=1.347762e+06
    or (segid "   D" and resid    8 and name   HA) (segid "   D" and resid    8 and name  HG2)
assign (segid "   D" and resid    8 and name  HB1) (segid "   D" and resid    8 and name  HG2) 2.352 0.691 0.691 weight 1.000 ! spec=13CN...13AB, no=382, id=295, vol=2.236859e+06
    or (segid "   D" and resid    8 and name  HB1) (segid "   D" and resid    8 and name  HG1)
assign (segid "   D" and resid    8 and name  HB2) (segid "   D" and resid    8 and name  HG1) 2.493 0.777 0.777 weight 1.000 ! spec=13CN...13AB, no=383, id=296, vol=1.585762e+06
    or (segid "   D" and resid    8 and name  HB2) (segid "   D" and resid    8 and name  HG2)
assign (segid "   D" and resid    7 and name   HA) (segid "   D" and resid    7 and name  HB1) 2.284 0.652 0.652 weight 1.000 ! spec=13CN...13AB, no=384, id=297, vol=2.998060e+06
    or (segid "   D" and resid    7 and name   HA) (segid "   D" and resid    7 and name  HB2)
assign (segid "   D" and resid    4 and name   HA) (segid "   D" and resid    4 and name  HG1) 2.371 0.703 0.703 weight 1.000 ! spec=13CN...13AB, no=387, id=299, vol=3.432862e+06
    or (segid "   D" and resid    4 and name   HA) (segid "   D" and resid    4 and name  HG2)
assign (segid "   D" and resid    4 and name  HB2) (segid "   D" and resid    4 and name  HG2) 1.979 0.490 0.490 weight 1.000 ! spec=13CN...13AB, no=389, id=300, vol=6.092289e+06
    or (segid "   D" and resid    4 and name  HB2) (segid "   D" and resid    4 and name  HG1)
assign (segid "   D" and resid    4 and name  HB1) (segid "   D" and resid    4 and name  HG1) 2.107 0.555 0.555 weight 1.000 ! spec=13CN...13AB, no=390, id=301, vol=4.591630e+06
    or (segid "   D" and resid    4 and name  HB1) (segid "   D" and resid    4 and name  HG2)
assign (segid "   D" and resid    3 and name   HA) (segid "   D" and resid    3 and name  HB1) 2.166 0.587 0.587 weight 1.000 ! spec=13CN...13AB, no=394, id=303, vol=3.421987e+06
    or (segid "   D" and resid    3 and name   HA) (segid "   D" and resid    3 and name  HB2)
assign (segid "   D" and resid   57 and name  HB2) (segid "   D" and resid   57 and name   HA) 2.461 0.757 0.757 weight 1.000 ! spec=13CN...13AB, no=395, id=304, vol=1.538944e+06
    or (segid "   D" and resid    3 and name   HA) (segid "   D" and resid    3 and name  HB2)
assign (segid "   D" and resid   84 and name  HB2) (segid "   D" and resid   84 and name HD12) 2.332 0.680 0.680 weight 1.000 ! spec=13CN...13AB, no=402, id=309, vol=1.823236e+06
    or (segid "   D" and resid   84 and name  HB2) (segid "   D" and resid   84 and name HD11)
    or (segid "   D" and resid   84 and name  HB2) (segid "   D" and resid   84 and name HD13)
    or (segid "   D" and resid   84 and name  HB2) (segid "   D" and resid   84 and name HD22)
    or (segid "   D" and resid   84 and name  HB2) (segid "   D" and resid   84 and name HD21)
    or (segid "   D" and resid   84 and name  HB2) (segid "   D" and resid   84 and name HD23)
assign (segid "   D" and resid   81 and name HD12) (segid "   D" and resid   81 and name   HA) 2.058 0.529 0.529 weight 1.000 ! spec=13CN...13AB, no=414, id=319, vol=2.548893e+06
    or (segid "   D" and resid   81 and name HD11) (segid "   D" and resid   81 and name   HA)
    or (segid "   D" and resid   81 and name HD13) (segid "   D" and resid   81 and name   HA)
    or (segid "   D" and resid   81 and name HG22) (segid "   D" and resid   81 and name   HA)
    or (segid "   D" and resid   81 and name HG21) (segid "   D" and resid   81 and name   HA)
    or (segid "   D" and resid   81 and name HG23) (segid "   D" and resid   81 and name   HA)
assign (segid "   D" and resid   81 and name HD12) (segid "   D" and resid   81 and name HG11) 1.983 0.492 0.492 weight 1.000 ! spec=13CN...13AB, no=417, id=321, vol=3.156914e+06
    or (segid "   D" and resid   81 and name HD11) (segid "   D" and resid   81 and name HG11)
    or (segid "   D" and resid   81 and name HD13) (segid "   D" and resid   81 and name HG11)
    or (segid "   D" and resid   81 and name HG22) (segid "   D" and resid   81 and name HG11)
    or (segid "   D" and resid   81 and name HG21) (segid "   D" and resid   81 and name HG11)
    or (segid "   D" and resid   81 and name HG23) (segid "   D" and resid   81 and name HG11)
assign (segid "   D" and resid   87 and name  HD1) (segid "   D" and resid   87 and name  HG2) 2.227 0.620 0.620 weight 1.000 ! spec=13CN...13AB, no=435, id=330, vol=2.383862e+06
    or (segid "   D" and resid   87 and name  HD1) (segid "   D" and resid   87 and name  HG1)
assign (segid "   D" and resid   83 and name   HA) (segid "   D" and resid   83 and name  HG2) 2.365 0.699 0.699 weight 1.000 ! spec=13CN...13AB, no=436, id=331, vol=2.074328e+06
    or (segid "   D" and resid   83 and name   HA) (segid "   D" and resid   83 and name  HG1)
assign (segid "   D" and resid   83 and name  HG1) (segid "   D" and resid   83 and name  HE1) 2.802 0.981 0.981 weight 1.000 ! spec=13CN...13AB, no=441, id=334, vol=9.641921e+05
    or (segid "   D" and resid   83 and name  HG2) (segid "   D" and resid   83 and name  HE1)
    or (segid "   D" and resid   83 and name  HG1) (segid "   D" and resid   83 and name  HE2)
assign (segid "   D" and resid   83 and name  HD2) (segid "   D" and resid   83 and name   HA) 3.821 1.825 1.825 weight 1.000 ! spec=13CN...13AB, no=443, id=336, vol=7.847642e+05
    or (segid "   D" and resid   83 and name  HD1) (segid "   D" and resid   83 and name   HA)
assign (segid "   D" and resid   75 and name  HB2) (segid "   D" and resid   75 and name  HD1) 2.307 0.665 0.665 weight 1.000 ! spec=13CN...13AB, no=448, id=340, vol=1.400034e+06
    or (segid "   D" and resid   75 and name  HB1) (segid "   D" and resid   75 and name  HD1)
assign (segid "   D" and resid   72 and name   HA) (segid "   D" and resid   72 and name  HB2) 2.089 0.546 0.546 weight 1.000 ! spec=13CN...13AB, no=452, id=344, vol=3.027193e+06
    or (segid "   D" and resid   72 and name   HA) (segid "   D" and resid   72 and name  HB1)
assign (segid "   D" and resid   72 and name  HB1) (segid "   D" and resid   72 and name  HE1) 4.069 2.069 2.069 weight 1.000 ! spec=13CN...13AB, no=458, id=348, vol=4.273170e+05
    or (segid "   D" and resid   72 and name  HB2) (segid "   D" and resid   72 and name  HE2)
    or (segid "   D" and resid   72 and name  HB2) (segid "   D" and resid   72 and name  HE1)
    or (segid "   D" and resid   72 and name  HB1) (segid "   D" and resid   72 and name  HE2)
assign (segid "   D" and resid   72 and name  HB2) (segid "   D" and resid   72 and name  HG2) 2.447 0.748 0.748 weight 1.000 ! spec=13CN...13AB, no=459, id=349, vol=1.337121e+06
    or (segid "   D" and resid   72 and name  HB1) (segid "   D" and resid   72 and name  HG2)
assign (segid "   D" and resid   72 and name  HB1) (segid "   D" and resid   72 and name  HG1) 2.157 0.582 0.582 weight 1.000 ! spec=13CN...13AB, no=460, id=350, vol=2.646752e+06
    or (segid "   D" and resid   72 and name  HB2) (segid "   D" and resid   72 and name  HG1)
assign (segid "   D" and resid   72 and name  HD2) (segid "   D" and resid   72 and name   HA) 3.905 1.906 1.906 weight 1.000 ! spec=13CN...13AB, no=468, id=356, vol=4.396439e+05
    or (segid "   D" and resid   72 and name  HD1) (segid "   D" and resid   72 and name   HA)
assign (segid "   D" and resid   72 and name  HG1) (segid "   D" and resid   72 and name  HE2) 2.190 0.600 0.600 weight 1.000 ! spec=13CN...13AB, no=469, id=357, vol=2.128583e+06
    or (segid "   D" and resid   72 and name  HG1) (segid "   D" and resid   72 and name  HE1)
assign (segid "   D" and resid   72 and name  HG2) (segid "   D" and resid   72 and name  HE2) 2.315 0.670 0.670 weight 1.000 ! spec=13CN...13AB, no=470, id=358, vol=1.749379e+06
    or (segid "   D" and resid   72 and name  HG2) (segid "   D" and resid   72 and name  HE1)
assign (segid "   D" and resid   72 and name  HD2) (segid "   D" and resid   72 and name  HE1) 1.887 0.445 0.445 weight 1.000 ! spec=13CN...13AB, no=471, id=359, vol=6.323779e+06
    or (segid "   D" and resid   72 and name  HD1) (segid "   D" and resid   72 and name  HE2)
    or (segid "   D" and resid   72 and name  HD2) (segid "   D" and resid   72 and name  HE2)
assign (segid "   D" and resid   72 and name  HE1) (segid "   D" and resid   72 and name   HA) 4.022 2.022 2.022 weight 1.000 ! spec=13CN...13AB, no=472, id=360, vol=4.788980e+05
    or (segid "   D" and resid   72 and name  HE2) (segid "   D" and resid   72 and name   HA)
assign (segid "   D" and resid   29 and name HG12) (segid "   D" and resid    7 and name  HB2) 3.863 1.866 1.866 weight 1.000 ! spec=13CN...13AB, no=492, id=376, vol=3.719841e+05
    or (segid "   D" and resid   29 and name HG11) (segid "   D" and resid    7 and name  HB2)
    or (segid "   D" and resid   29 and name HG13) (segid "   D" and resid    7 and name  HB2)
    or (segid "   D" and resid   29 and name HG12) (segid "   D" and resid    7 and name  HB1)
    or (segid "   D" and resid   29 and name HG11) (segid "   D" and resid    7 and name  HB1)
    or (segid "   D" and resid   29 and name HG13) (segid "   D" and resid    7 and name  HB1)
assign (segid "   D" and resid   57 and name  HB2) (segid "   D" and resid   57 and name  HE2) 3.845 1.848 1.848 weight 1.000 ! spec=13CN...13AB, no=500, id=380, vol=5.354172e+05
    or (segid "   D" and resid   57 and name  HB2) (segid "   D" and resid   57 and name  HE1)
assign (segid "   D" and resid   57 and name  HD2) (segid "   D" and resid   57 and name  HE1) 2.227 0.620 0.620 weight 1.000 ! spec=13CN...13AB, no=502, id=381, vol=2.333874e+06
    or (segid "   D" and resid   57 and name  HD2) (segid "   D" and resid   57 and name  HE2)
    or (segid "   D" and resid   57 and name  HD1) (segid "   D" and resid   57 and name  HE1)
    or (segid "   D" and resid   57 and name  HD1) (segid "   D" and resid   57 and name  HE2)
assign (segid "   D" and resid   57 and name  HD2) (segid "   D" and resid   57 and name   HA) 3.724 1.734 1.734 weight 1.000 ! spec=13CN...13AB, no=503, id=382, vol=8.183630e+05
    or (segid "   D" and resid   57 and name  HD1) (segid "   D" and resid   57 and name   HA)
assign (segid "   D" and resid    5 and name  HB1) (segid "   D" and resid    5 and name   HA) 2.294 0.658 0.658 weight 1.000 ! spec=13CN...13AB, no=504, id=383, vol=1.730454e+06
    or (segid "   D" and resid    5 and name  HB2) (segid "   D" and resid    5 and name   HA)
    or (segid "   D" and resid   44 and name  HB1) (segid "   D" and resid   44 and name   HA)
assign (segid "   D" and resid    5 and name  HB2) (segid "   D" and resid    5 and name  HD2) 2.436 0.742 0.742 weight 1.000 ! spec=13CN...13AB, no=505, id=384, vol=1.790848e+06
    or (segid "   D" and resid    5 and name  HB2) (segid "   D" and resid    5 and name  HD1)
    or (segid "   D" and resid    5 and name  HB1) (segid "   D" and resid    5 and name  HD2)
assign (segid "   D" and resid   44 and name  HG2) (segid "   D" and resid   44 and name  HE1) 3.330 1.386 1.386 weight 1.000 ! spec=13CN...13AB, no=506, id=385, vol=4.744464e+05
    or (segid "   D" and resid   44 and name  HG2) (segid "   D" and resid   44 and name  HE2)
assign (segid "   D" and resid   39 and name   HA) (segid "   D" and resid   39 and name  HG1) 2.627 0.863 0.863 weight 1.000 ! spec=13CN...13AB, no=510, id=387, vol=1.055944e+06
    or (segid "   D" and resid   39 and name   HA) (segid "   D" and resid   39 and name  HG2)
assign (segid "   D" and resid   39 and name  HB1) (segid "   D" and resid   39 and name  HG1) 2.639 0.871 0.871 weight 1.000 ! spec=13CN...13AB, no=515, id=390, vol=1.007785e+06
    or (segid "   D" and resid   39 and name  HB1) (segid "   D" and resid   39 and name  HG2)
assign (segid "   D" and resid   39 and name  HB2) (segid "   D" and resid   39 and name  HG1) 2.520 0.794 0.794 weight 1.000 ! spec=13CN...13AB, no=516, id=391, vol=1.206961e+06
    or (segid "   D" and resid   39 and name  HB2) (segid "   D" and resid   39 and name  HG2)
assign (segid "   D" and resid   37 and name   HA) (segid "   D" and resid   37 and name  HB1) 2.303 0.663 0.663 weight 1.000 ! spec=13CN...13AB, no=526, id=395, vol=2.108487e+06
    or (segid "   D" and resid   37 and name   HA) (segid "   D" and resid   37 and name  HB2)
assign (segid "   D" and resid   37 and name HD12) (segid "   D" and resid   19 and name HG12) 1.751 0.383 0.383 weight 1.000 ! spec=13CN...13AB, no=532, id=398, vol=2.825719e+06
    or (segid "   D" and resid   37 and name HD12) (segid "   D" and resid   19 and name HG11)
    or (segid "   D" and resid   37 and name HD12) (segid "   D" and resid   19 and name HG13)
    or (segid "   D" and resid   37 and name HD11) (segid "   D" and resid   19 and name HG12)
    or (segid "   D" and resid   37 and name HD11) (segid "   D" and resid   19 and name HG11)
    or (segid "   D" and resid   37 and name HD11) (segid "   D" and resid   19 and name HG13)
    or (segid "   D" and resid   37 and name HD13) (segid "   D" and resid   19 and name HG12)
    or (segid "   D" and resid   37 and name HD13) (segid "   D" and resid   19 and name HG11)
    or (segid "   D" and resid   37 and name HD13) (segid "   D" and resid   19 and name HG13)
    or (segid "   D" and resid   37 and name HD12) (segid "   D" and resid   37 and name HD22)
    or (segid "   D" and resid   37 and name HD12) (segid "   D" and resid   37 and name HD21)
    or (segid "   D" and resid   37 and name HD12) (segid "   D" and resid   37 and name HD23)
    or (segid "   D" and resid   37 and name HD11) (segid "   D" and resid   37 and name HD22)
    or (segid "   D" and resid   37 and name HD11) (segid "   D" and resid   37 and name HD21)
    or (segid "   D" and resid   37 and name HD11) (segid "   D" and resid   37 and name HD23)
    or (segid "   D" and resid   37 and name HD13) (segid "   D" and resid   37 and name HD22)
    or (segid "   D" and resid   37 and name HD13) (segid "   D" and resid   37 and name HD21)
    or (segid "   D" and resid   37 and name HD13) (segid "   D" and resid   37 and name HD23)
assign (segid "   D" and resid   37 and name HD12) (segid "   D" and resid   37 and name   HG) 1.911 0.456 0.456 weight 1.000 ! spec=13CN...13AB, no=534, id=400, vol=3.381839e+06
    or (segid "   D" and resid   37 and name HD11) (segid "   D" and resid   37 and name   HG)
    or (segid "   D" and resid   37 and name HD13) (segid "   D" and resid   37 and name   HG)
    or (segid "   D" and resid   37 and name HD12) (segid "   D" and resid   37 and name  HB1)
    or (segid "   D" and resid   37 and name HD11) (segid "   D" and resid   37 and name  HB1)
    or (segid "   D" and resid   37 and name HD13) (segid "   D" and resid   37 and name  HB1)
    or (segid "   D" and resid   37 and name HD12) (segid "   D" and resid   37 and name  HB2)
    or (segid "   D" and resid   37 and name HD11) (segid "   D" and resid   37 and name  HB2)
    or (segid "   D" and resid   37 and name HD13) (segid "   D" and resid   37 and name  HB2)
assign (segid "   D" and resid   37 and name HD22) (segid "   D" and resid   37 and name   HG) 1.831 0.419 0.419 weight 1.000 ! spec=13CN...13AB, no=540, id=406, vol=4.643526e+06
    or (segid "   D" and resid   37 and name HD21) (segid "   D" and resid   37 and name   HG)
    or (segid "   D" and resid   37 and name HD23) (segid "   D" and resid   37 and name   HG)
    or (segid "   D" and resid   37 and name HD22) (segid "   D" and resid   37 and name  HB1)
    or (segid "   D" and resid   37 and name HD21) (segid "   D" and resid   37 and name  HB1)
    or (segid "   D" and resid   37 and name HD23) (segid "   D" and resid   37 and name  HB1)
assign (segid "   D" and resid   34 and name  HB1) (segid "   D" and resid   34 and name   HA) 2.560 0.819 0.819 weight 1.000 ! spec=13CN...13AB, no=556, id=416, vol=1.465435e+06
    or (segid "   D" and resid   34 and name  HB2) (segid "   D" and resid   34 and name   HA)
assign (segid "   D" and resid    5 and name  HG2) (segid "   D" and resid    5 and name   HA) 2.685 0.901 0.901 weight 1.000 ! spec=13CN...13AB, no=558, id=417, vol=7.851248e+05
    or (segid "   D" and resid    5 and name  HG1) (segid "   D" and resid    5 and name   HA)
assign (segid "   D" and resid    5 and name   HA) (segid "   D" and resid    5 and name  HD1) 3.470 1.505 1.505 weight 1.000 ! spec=13CN...13AB, no=559, id=418, vol=1.046411e+06
    or (segid "   D" and resid    5 and name   HA) (segid "   D" and resid    5 and name  HD2)
assign (segid "   D" and resid   48 and name  HD1) (segid "   D" and resid   48 and name  HG1) 2.953 1.090 1.090 weight 1.000 ! spec=13CN...13AB, no=606, id=445, vol=5.137189e+05
    or (segid "   D" and resid   48 and name  HD1) (segid "   D" and resid   48 and name  HG2)
assign (segid "   D" and resid   24 and name  HG1) (segid "   D" and resid   24 and name  HD1) 2.818 0.993 0.993 weight 1.000 ! spec=13CN...13AB, no=618, id=454, vol=5.988018e+05
    or (segid "   D" and resid   24 and name  HG1) (segid "   D" and resid   24 and name  HD2)
assign (segid "   D" and resid   24 and name  HG2) (segid "   D" and resid   24 and name  HD1) 2.729 0.931 0.931 weight 1.000 ! spec=13CN...13AB, no=619, id=455, vol=6.937178e+05
    or (segid "   D" and resid   24 and name  HG2) (segid "   D" and resid   24 and name  HD2)
assign (segid "   D" and resid    4 and name   HA) (segid "   D" and resid    4 and name  HG1) 2.765 0.955 0.955 weight 1.000 ! spec=13CN...13AB, no=640, id=466, vol=1.189720e+06
    or (segid "   D" and resid   92 and name  HG2) (segid "   D" and resid   92 and name   HA)
    or (segid "   D" and resid    4 and name   HA) (segid "   D" and resid    4 and name  HG2)
assign (segid "   D" and resid   75 and name   HA) (segid "   D" and resid   70 and name  HB1) 3.239 1.311 1.311 weight 1.000 ! spec=13CN...13AB, no=705, id=510, vol=4.151110e+05
    or (segid "   D" and resid   70 and name  HB1) (segid "   D" and resid   74 and name  HB1)
assign (segid "   D" and resid   13 and name  HA1) (segid "   D" and resid    8 and name  HG2) 4.180 2.184 2.184 weight 1.000 ! spec=13CN...13AB, no=735, id=532, vol=3.428412e+05
    or (segid "   D" and resid   13 and name  HA1) (segid "   D" and resid    8 and name  HG1)
assign (segid "   D" and resid   24 and name  HD1) (segid "   D" and resid   23 and name   HA) 2.508 0.786 0.786 weight 1.000 ! spec=13CN...13AB, no=790, id=558, vol=6.999246e+05
    or (segid "   D" and resid   24 and name  HD2) (segid "   D" and resid   23 and name   HA)
assign (segid "   D" and resid   23 and name  HB1) (segid "   D" and resid   23 and name   HA) 2.762 0.953 0.953 weight 1.000 ! spec=13CN...13AB, no=792, id=559, vol=6.522259e+05
    or (segid "   D" and resid   23 and name  HB2) (segid "   D" and resid   23 and name   HA)
assign (segid "   D" and resid   23 and name   HA) (segid "   D" and resid   23 and name  HD2) 3.287 1.351 1.351 weight 1.000 ! spec=13CN...13AB, no=793, id=560, vol=6.647288e+05
    or (segid "   D" and resid   23 and name   HA) (segid "   D" and resid   23 and name  HG2)
assign (segid "   D" and resid   23 and name  HD2) (segid "   D" and resid   23 and name  HE2) 2.844 1.011 1.011 weight 1.000 ! spec=13CN...13AB, no=797, id=563, vol=5.089480e+05
    or (segid "   D" and resid   23 and name  HD2) (segid "   D" and resid   23 and name  HE1)
assign (segid "   D" and resid   89 and name  HB2) (segid "   D" and resid   88 and name  HB1) 3.072 1.180 2.928 weight 1.000 ! spec=13CN...13AB, no=822, id=570, vol=5.015107e+05
    or (segid "   D" and resid   89 and name  HB2) (segid "   D" and resid   87 and name  HB2)
assign (segid "   D" and resid   61 and name  HB2) (segid "   D" and resid   75 and name  HB1) 4.145 2.148 2.148 weight 1.000 ! spec=13CN...13AB, no=823, id=571, vol=3.755828e+05
    or (segid "   D" and resid   61 and name  HB2) (segid "   D" and resid   75 and name  HB2)
assign (segid "   D" and resid   78 and name  HG1) (segid "   D" and resid   78 and name   HA) 3.535 1.562 1.562 weight 1.000 ! spec=13CN...13AB, no=967, id=608, vol=3.391331e+05
    or (segid "   D" and resid   78 and name  HG2) (segid "   D" and resid   78 and name   HA)
assign (segid "   D" and resid   75 and name   HA) (segid "   D" and resid   76 and name  HG2) 4.186 2.191 2.191 weight 1.000 ! spec=13CN...13AB, no=983, id=611, vol=4.125846e+05
    or (segid "   D" and resid   75 and name   HA) (segid "   D" and resid   76 and name  HG1)
    or (segid "   D" and resid   76 and name  HG2) (segid "   D" and resid   77 and name  HA2)
assign (segid "   D" and resid   20 and name  HB1) (segid "   D" and resid    5 and name  HB1) 4.049 2.050 2.050 weight 1.000 ! spec=13CN...13AB, no=1065, id=638, vol=3.314049e+05
    or (segid "   D" and resid   20 and name  HB1) (segid "   D" and resid    5 and name  HB2)
assign (segid "   D" and resid   68 and name  HB1) (segid "   D" and resid   63 and name  HB2) 3.746 1.754 1.754 weight 1.000 ! spec=13CN...13AB, no=1066, id=639, vol=5.450368e+05
    or (segid "   D" and resid   68 and name  HB1) (segid "   D" and resid   63 and name  HB1)
assign (segid "   D" and resid   68 and name  HB2) (segid "   D" and resid   63 and name  HB1) 2.979 1.109 1.109 weight 1.000 ! spec=13CN...13AB, no=1067, id=640, vol=3.969556e+05
    or (segid "   D" and resid   68 and name  HB2) (segid "   D" and resid   63 and name  HB2)
assign (segid "   D" and resid   64 and name  HB2) (segid "   D" and resid   64 and name   HA) 3.184 1.267 1.267 weight 1.000 ! spec=13CN...13AB, no=1106, id=654, vol=3.317022e+05
    or (segid "   D" and resid   64 and name  HB1) (segid "   D" and resid   64 and name   HA)
assign (segid "   D" and resid   63 and name   HA) (segid "   D" and resid   68 and name  HB2) 3.659 1.674 1.674 weight 1.000 ! spec=13CN...13AB, no=1119, id=661, vol=3.472882e+05
    or (segid "   D" and resid   63 and name   HA) (segid "   D" and resid   61 and name  HB2)
assign (segid "   D" and resid   61 and name  HB1) (segid "   D" and resid   75 and name  HB2) 3.543 1.569 1.569 weight 1.000 ! spec=13CN...13AB, no=1146, id=670, vol=4.030749e+05
    or (segid "   D" and resid   61 and name  HB1) (segid "   D" and resid   75 and name  HB1)
assign (segid "   D" and resid   61 and name  HB1) (segid "   D" and resid   79 and name  HB2) 4.245 2.252 2.252 weight 1.000 ! spec=13CN...13AB, no=1149, id=672, vol=2.566215e+05
    or (segid "   D" and resid   61 and name  HB1) (segid "   D" and resid   75 and name  HG1)
assign (segid "   D" and resid   60 and name   HA) (segid "   D" and resid   62 and name   HZ) 3.237 1.310 1.310 weight 1.000 ! spec=13CN...13AB, no=1151, id=674, vol=4.861837e+05
    or (segid "   D" and resid   62 and name  HE1) (segid "   D" and resid   60 and name   HA)
    or (segid "   D" and resid   62 and name  HE2) (segid "   D" and resid   60 and name   HA)
assign (segid "   D" and resid   59 and name  HB2) (segid "   D" and resid   52 and name  HB1) 3.850 1.853 1.853 weight 1.000 ! spec=13CN...13AB, no=1170, id=687, vol=5.150982e+05
    or (segid "   D" and resid   59 and name  HB1) (segid "   D" and resid   52 and name  HB1)
    or (segid "   D" and resid   59 and name  HB3) (segid "   D" and resid   52 and name  HB1)
    or (segid "   D" and resid   59 and name  HB2) (segid "   D" and resid   71 and name  HB2)
    or (segid "   D" and resid   59 and name  HB1) (segid "   D" and resid   71 and name  HB2)
    or (segid "   D" and resid   59 and name  HB3) (segid "   D" and resid   71 and name  HB2)
assign (segid "   D" and resid   59 and name  HB2) (segid "   D" and resid   58 and name  HG2) 3.519 1.548 1.548 weight 1.000 ! spec=13CN...13AB, no=1171, id=688, vol=4.661759e+05
    or (segid "   D" and resid   59 and name  HB1) (segid "   D" and resid   58 and name  HG2)
    or (segid "   D" and resid   59 and name  HB3) (segid "   D" and resid   58 and name  HG2)
    or (segid "   D" and resid   59 and name  HB2) (segid "   D" and resid   58 and name  HG1)
    or (segid "   D" and resid   59 and name  HB1) (segid "   D" and resid   58 and name  HG1)
    or (segid "   D" and resid   59 and name  HB3) (segid "   D" and resid   58 and name  HG1)
assign (segid "   D" and resid   54 and name HG22) (segid "   D" and resid   53 and name  HB2) 3.791 1.797 1.797 weight 1.000 ! spec=13CN...13AB, no=1211, id=712, vol=4.089383e+05
    or (segid "   D" and resid   54 and name HG21) (segid "   D" and resid   53 and name  HB2)
    or (segid "   D" and resid   54 and name HG23) (segid "   D" and resid   53 and name  HB2)
    or (segid "   D" and resid   54 and name HG22) (segid "   D" and resid   55 and name  HB1)
    or (segid "   D" and resid   54 and name HG21) (segid "   D" and resid   55 and name  HB1)
    or (segid "   D" and resid   54 and name HG23) (segid "   D" and resid   55 and name  HB1)
    or (segid "   D" and resid   54 and name HG22) (segid "   D" and resid   52 and name  HB1)
    or (segid "   D" and resid   54 and name HG21) (segid "   D" and resid   52 and name  HB1)
    or (segid "   D" and resid   54 and name HG23) (segid "   D" and resid   52 and name  HB1)
assign (segid "   D" and resid   23 and name  HE2) (segid "   D" and resid   23 and name  HG1) 2.547 0.811 0.811 weight 1.000 ! spec=13CN...13AB, no=1219, id=714, vol=1.343187e+06
    or (segid "   D" and resid   23 and name  HE1) (segid "   D" and resid   23 and name  HG1)
assign (segid "   D" and resid   23 and name  HD2) (segid "   D" and resid   23 and name  HE2) 2.216 0.614 0.614 weight 1.000 ! spec=13CN...13AB, no=1220, id=715, vol=2.296852e+06
    or (segid "   D" and resid   23 and name  HD2) (segid "   D" and resid   23 and name  HE1)
    or (segid "   D" and resid   23 and name  HE1) (segid "   D" and resid   23 and name  HG2)
assign (segid "   D" and resid   23 and name  HD1) (segid "   D" and resid   23 and name  HE1) 2.384 0.711 0.711 weight 1.000 ! spec=13CN...13AB, no=1221, id=716, vol=1.266199e+06
    or (segid "   D" and resid   23 and name  HD1) (segid "   D" and resid   23 and name  HE2)
assign (segid "   D" and resid   51 and name  HB2) (segid "   D" and resid   51 and name   HA) 2.352 0.692 0.692 weight 1.000 ! spec=13CN...13AB, no=1230, id=720, vol=1.864660e+06
    or (segid "   D" and resid   51 and name  HB1) (segid "   D" and resid   51 and name   HA)
assign (segid "   D" and resid   43 and name  HA2) (segid "   D" and resid   44 and name  HB1) 4.753 2.823 2.823 weight 1.000 ! spec=13CN...13AB, no=1319, id=725, vol=3.087183e+05
    or (segid "   D" and resid   43 and name  HA1) (segid "   D" and resid   44 and name  HB1)
assign (segid "   D" and resid   43 and name  HA1) (segid "   D" and resid   44 and name  HD1) 4.342 2.357 2.357 weight 1.000 ! spec=13CN...13AB, no=1320, id=726, vol=3.086086e+05
    or (segid "   D" and resid   43 and name  HA1) (segid "   D" and resid   44 and name  HD2)
    or (segid "   D" and resid   43 and name  HA2) (segid "   D" and resid   44 and name  HD1)
    or (segid "   D" and resid   43 and name  HA2) (segid "   D" and resid   44 and name  HD2)
assign (segid "   D" and resid   72 and name  HD2) (segid "   D" and resid   72 and name  HG2) 2.199 0.604 0.604 weight 1.000 ! spec=13CN...13AB, no=1332, id=728, vol=2.336821e+06
    or (segid "   D" and resid   72 and name  HD1) (segid "   D" and resid   72 and name  HG2)
assign (segid "   D" and resid   40 and name  HG1) (segid "   D" and resid   40 and name  HD2) 2.296 0.659 0.659 weight 1.000 ! spec=13CN...13AB, no=1334, id=729, vol=2.049324e+06
    or (segid "   D" and resid   40 and name  HG1) (segid "   D" and resid   40 and name  HD1)
assign (segid "   D" and resid   40 and name  HG2) (segid "   D" and resid   40 and name  HD1) 2.454 0.753 0.753 weight 1.000 ! spec=13CN...13AB, no=1335, id=730, vol=1.387312e+06
    or (segid "   D" and resid   40 and name  HG2) (segid "   D" and resid   40 and name  HD2)
assign (segid "   D" and resid   20 and name  HB1) (segid "   D" and resid    5 and name  HD2) 2.898 1.050 1.050 weight 1.000 ! spec=13CN...13AB, no=1338, id=731, vol=6.353768e+05
    or (segid "   D" and resid   20 and name  HB1) (segid "   D" and resid    5 and name  HD1)
assign (segid "   D" and resid    5 and name  HD2) (segid "   D" and resid   20 and name  HB2) 2.939 1.080 1.080 weight 1.000 ! spec=13CN...13AB, no=1339, id=732, vol=6.687273e+05
    or (segid "   D" and resid    5 and name  HD1) (segid "   D" and resid   20 and name  HB2)
assign (segid "   D" and resid   37 and name HD12) (segid "   D" and resid   37 and name  HB2) 2.381 0.709 0.709 weight 1.000 ! spec=13CN...13AB, no=1347, id=734, vol=1.321356e+06
    or (segid "   D" and resid   37 and name HD11) (segid "   D" and resid   37 and name  HB2)
    or (segid "   D" and resid   37 and name HD13) (segid "   D" and resid   37 and name  HB2)
    or (segid "   D" and resid   37 and name HD12) (segid "   D" and resid   37 and name  HB1)
    or (segid "   D" and resid   37 and name HD11) (segid "   D" and resid   37 and name  HB1)
    or (segid "   D" and resid   37 and name HD13) (segid "   D" and resid   37 and name  HB1)
assign (segid "   D" and resid   35 and name  HB2) (segid "   D" and resid   37 and name HD12) 3.027 1.146 1.146 weight 1.000 ! spec=13CN...13AB, no=1354, id=741, vol=7.025215e+05
    or (segid "   D" and resid   35 and name  HB2) (segid "   D" and resid   37 and name HD11)
    or (segid "   D" and resid   35 and name  HB2) (segid "   D" and resid   37 and name HD13)
    or (segid "   D" and resid   35 and name  HB2) (segid "   D" and resid   35 and name HD22)
    or (segid "   D" and resid   35 and name  HB2) (segid "   D" and resid   35 and name HD21)
    or (segid "   D" and resid   35 and name  HB2) (segid "   D" and resid   35 and name HD23)
assign (segid "   D" and resid   41 and name   HA) (segid "   D" and resid   41 and name  HB2) 2.731 0.933 0.933 weight 1.000 ! spec=13CN...13AB, no=1451, id=790, vol=1.178378e+06
    or (segid "   D" and resid    8 and name   HA) (segid "   D" and resid    8 and name  HB1)
assign (segid "   D" and resid    7 and name  HB2) (segid "   D" and resid   15 and name  HB2) 3.148 1.239 1.239 weight 1.000 ! spec=13CN...13AB, no=1457, id=793, vol=3.691180e+05
    or (segid "   D" and resid    7 and name  HB2) (segid "   D" and resid   15 and name  HB1)
    or (segid "   D" and resid    7 and name  HB2) (segid "   D" and resid   15 and name  HB3)
    or (segid "   D" and resid    7 and name  HB1) (segid "   D" and resid   15 and name  HB2)
    or (segid "   D" and resid    7 and name  HB1) (segid "   D" and resid   15 and name  HB1)
    or (segid "   D" and resid    7 and name  HB1) (segid "   D" and resid   15 and name  HB3)
assign (segid "   D" and resid   83 and name  HD2) (segid "   D" and resid   83 and name  HE1) 1.938 0.470 0.470 weight 1.000 ! spec=13CN...13AB, no=1475, id=796, vol=5.490563e+06
    or (segid "   D" and resid   83 and name  HD1) (segid "   D" and resid   83 and name  HE1)
    or (segid "   D" and resid   83 and name  HD2) (segid "   D" and resid   83 and name  HE2)
    or (segid "   D" and resid   83 and name  HD1) (segid "   D" and resid   83 and name  HE2)
assign (segid "   D" and resid   83 and name  HE2) (segid "   D" and resid   83 and name   HA) 4.289 2.299 2.299 weight 1.000 ! spec=13CN...13AB, no=1476, id=797, vol=4.916560e+05
    or (segid "   D" and resid   83 and name  HE1) (segid "   D" and resid   83 and name   HA)
assign (segid "   D" and resid   39 and name  HG1) (segid "   D" and resid   39 and name  HE1) 2.878 1.035 1.035 weight 1.000 ! spec=13CN...13AB, no=1529, id=810, vol=8.678237e+05
    or (segid "   D" and resid   39 and name  HG1) (segid "   D" and resid   39 and name  HE2)
    or (segid "   D" and resid   39 and name  HG2) (segid "   D" and resid   39 and name  HE1)
assign (segid "   D" and resid   23 and name  HD1) (segid "   D" and resid   23 and name  HB2) 3.044 1.158 1.158 weight 1.000 ! spec=13CN...13AB, no=1542, id=817, vol=6.062772e+05
    or (segid "   D" and resid   23 and name  HD1) (segid "   D" and resid   23 and name  HB1)
assign (segid "   D" and resid   23 and name  HD2) (segid "   D" and resid   23 and name  HB2) 2.706 0.915 0.915 weight 1.000 ! spec=13CN...13AB, no=1544, id=819, vol=9.377730e+05
    or (segid "   D" and resid   23 and name  HD2) (segid "   D" and resid   23 and name  HB1)
assign (segid "   D" and resid   40 and name  HD1) (segid "   D" and resid   40 and name   HA) 4.133 2.136 2.136 weight 1.000 ! spec=13CN...13AB, no=1553, id=824, vol=4.200537e+05
    or (segid "   D" and resid   40 and name  HD2) (segid "   D" and resid   40 and name   HA)
assign (segid "   D" and resid   45 and name  HH2) (segid "   D" and resid   19 and name HG22) 3.311 1.370 1.370 weight 1.000 ! spec=13CN...13AB, no=1560, id=828, vol=2.285315e+05
    or (segid "   D" and resid   45 and name  HH2) (segid "   D" and resid   19 and name HG21)
    or (segid "   D" and resid   45 and name  HH2) (segid "   D" and resid   19 and name HG23)
    or (segid "   D" and resid   45 and name  HH2) (segid "   D" and resid   19 and name HG12)
    or (segid "   D" and resid   45 and name  HH2) (segid "   D" and resid   19 and name HG11)
    or (segid "   D" and resid   45 and name  HH2) (segid "   D" and resid   19 and name HG13)
assign (segid "   D" and resid   93 and name  HD2) (segid "   D" and resid   92 and name  HB1) 4.366 2.382 2.382 weight 1.000 ! spec=13CN...13AB, no=1566, id=832, vol=1.384364e+05
    or (segid "   D" and resid   93 and name  HD2) (segid "   D" and resid   91 and name HG21)
    or (segid "   D" and resid   93 and name  HD2) (segid "   D" and resid   91 and name HG22)
    or (segid "   D" and resid   93 and name  HD2) (segid "   D" and resid   91 and name HG23)
assign (segid "   D" and resid   46 and name   HN) (segid "   D" and resid   45 and name  HB1) 3.945 1.946 1.946 weight 1.000 ! spec=15NN...12AB, no=3, id=1094, vol=7.614581e+05
    or (segid "   D" and resid   46 and name   HN) (segid "   D" and resid   45 and name  HB2)
assign (segid "   D" and resid   46 and name   HN) (segid "   D" and resid   44 and name  HD2) 3.123 1.219 2.877 weight 1.000 ! spec=15NN...12AB, no=5, id=1095, vol=1.846046e+06
    or (segid "   D" and resid   46 and name   HN) (segid "   D" and resid   44 and name  HB1)
assign (segid "   D" and resid   51 and name HE22) (segid "   D" and resid   51 and name  HB2) 3.960 1.960 1.960 weight 1.000 ! spec=15NN...12AB, no=12, id=1099, vol=1.095054e+06
    or (segid "   D" and resid   51 and name HE22) (segid "   D" and resid   51 and name  HB1)
assign (segid "   D" and resid   51 and name HE21) (segid "   D" and resid   51 and name  HB2) 3.750 1.758 1.758 weight 1.000 ! spec=15NN...12AB, no=16, id=1103, vol=1.045948e+06
    or (segid "   D" and resid   51 and name HE21) (segid "   D" and resid   51 and name  HB1)
assign (segid "   D" and resid   49 and name  HE1) (segid "   D" and resid   49 and name  HD1) 2.939 1.080 1.080 weight 1.000 ! spec=15NN...12AB, no=47, id=1123, vol=1.285623e+06
    or (segid "   D" and resid   49 and name  HE1) (segid "   D" and resid   49 and name  HZ2)
assign (segid "   D" and resid   49 and name  HE1) (segid "   D" and resid   63 and name   HA) 4.208 2.214 2.214 weight 1.000 ! spec=15NN...12AB, no=49, id=1125, vol=5.387382e+05
    or (segid "   D" and resid   49 and name  HE1) (segid "   D" and resid   69 and name  HB2)
assign (segid "   D" and resid   23 and name   HN) (segid "   D" and resid   24 and name  HD1) 4.473 2.501 2.501 weight 1.000 ! spec=15NN...12AB, no=53, id=1129, vol=5.175063e+05
    or (segid "   D" and resid   23 and name   HN) (segid "   D" and resid   24 and name  HD2)
assign (segid "   D" and resid   47 and name   HN) (segid "   D" and resid   21 and name  HB2) 3.927 1.928 1.928 weight 1.000 ! spec=15NN...12AB, no=59, id=1134, vol=6.081450e+05
    or (segid "   D" and resid   47 and name   HN) (segid "   D" and resid   48 and name  HD1)
assign (segid "   D" and resid   23 and name   HN) (segid "   D" and resid   23 and name  HB1) 2.721 0.926 0.926 weight 1.000 ! spec=15NN...12AB, no=69, id=1141, vol=2.184229e+06
    or (segid "   D" and resid   23 and name   HN) (segid "   D" and resid   23 and name  HB2)
assign (segid "   D" and resid   92 and name   HN) (segid "   D" and resid   92 and name  HG1) 2.657 0.882 0.882 weight 1.000 ! spec=15NN...12AB, no=99, id=1163, vol=2.595027e+06
    or (segid "   D" and resid   92 and name   HN) (segid "   D" and resid   92 and name  HG2)
assign (segid "   D" and resid   89 and name   HN) (segid "   D" and resid   89 and name  HB1) 2.965 1.099 1.099 weight 1.000 ! spec=15NN...12AB, no=138, id=1187, vol=1.173648e+06
    or (segid "   D" and resid   89 and name   HN) (segid "   D" and resid   89 and name  HB2)
assign (segid "   D" and resid   88 and name   HN) (segid "   D" and resid   88 and name  HB2) 2.210 0.610 0.610 weight 1.000 ! spec=15NN...12AB, no=144, id=1193, vol=3.849408e+06
    or (segid "   D" and resid   88 and name   HN) (segid "   D" and resid   88 and name   HG)
assign (segid "   D" and resid   87 and name   HN) (segid "   D" and resid   87 and name  HG1) 2.419 0.732 0.732 weight 1.000 ! spec=15NN...12AB, no=159, id=1206, vol=4.818307e+06
    or (segid "   D" and resid   87 and name   HN) (segid "   D" and resid   87 and name  HB1)
assign (segid "   D" and resid   87 and name   HN) (segid "   D" and resid   81 and name HD12) 3.579 1.601 1.601 weight 1.000 ! spec=15NN...12AB, no=160, id=1207, vol=6.429202e+05
    or (segid "   D" and resid   87 and name   HN) (segid "   D" and resid   81 and name HD11)
    or (segid "   D" and resid   87 and name   HN) (segid "   D" and resid   81 and name HD13)
    or (segid "   D" and resid   87 and name   HN) (segid "   D" and resid   81 and name HG22)
    or (segid "   D" and resid   87 and name   HN) (segid "   D" and resid   81 and name HG21)
    or (segid "   D" and resid   87 and name   HN) (segid "   D" and resid   81 and name HG23)
assign (segid "   D" and resid   86 and name   HN) (segid "   D" and resid   84 and name  HB2) 3.955 1.955 1.955 weight 1.000 ! spec=15NN...12AB, no=162, id=1208, vol=9.491944e+05
    or (segid "   D" and resid   86 and name   HN) (segid "   D" and resid   87 and name  HG1)
assign (segid "   D" and resid   84 and name   HN) (segid "   D" and resid   84 and name HD12) 3.404 1.448 1.448 weight 1.000 ! spec=15NN...12AB, no=185, id=1226, vol=7.386308e+05
    or (segid "   D" and resid   84 and name   HN) (segid "   D" and resid   84 and name HD11)
    or (segid "   D" and resid   84 and name   HN) (segid "   D" and resid   84 and name HD13)
    or (segid "   D" and resid   84 and name   HN) (segid "   D" and resid   84 and name HD22)
    or (segid "   D" and resid   84 and name   HN) (segid "   D" and resid   84 and name HD21)
    or (segid "   D" and resid   84 and name   HN) (segid "   D" and resid   84 and name HD23)
assign (segid "   D" and resid   84 and name   HN) (segid "   D" and resid   83 and name  HB2) 2.948 1.086 1.086 weight 1.000 ! spec=15NN...12AB, no=186, id=1227, vol=1.456632e+06
    or (segid "   D" and resid   84 and name   HN) (segid "   D" and resid   83 and name  HB1)
assign (segid "   D" and resid   84 and name   HN) (segid "   D" and resid   83 and name   HA) 2.431 0.739 0.739 weight 1.000 ! spec=15NN...12AB, no=189, id=1229, vol=3.183198e+06
    or (segid "   D" and resid   84 and name   HN) (segid "   D" and resid   84 and name   HA)
assign (segid "   D" and resid   64 and name   HN) (segid "   D" and resid   88 and name   HG) 3.815 1.819 1.819 weight 1.000 ! spec=15NN...12AB, no=215, id=1248, vol=9.100750e+05
    or (segid "   D" and resid   82 and name   HN) (segid "   D" and resid   88 and name   HG)
assign (segid "   D" and resid   81 and name   HN) (segid "   D" and resid   81 and name HD12) 3.403 1.448 1.448 weight 1.000 ! spec=15NN...12AB, no=227, id=1259, vol=1.798037e+06
    or (segid "   D" and resid   81 and name   HN) (segid "   D" and resid   81 and name HD11)
    or (segid "   D" and resid   81 and name   HN) (segid "   D" and resid   81 and name HD13)
    or (segid "   D" and resid   81 and name   HN) (segid "   D" and resid   81 and name HG22)
    or (segid "   D" and resid   81 and name   HN) (segid "   D" and resid   81 and name HG21)
    or (segid "   D" and resid   81 and name   HN) (segid "   D" and resid   81 and name HG23)
assign (segid "   D" and resid   79 and name   HN) (segid "   D" and resid   78 and name  HG1) 4.568 2.609 2.609 weight 1.000 ! spec=15NN...12AB, no=241, id=1273, vol=5.230948e+05
    or (segid "   D" and resid   79 and name   HN) (segid "   D" and resid   78 and name  HG2)
assign (segid "   D" and resid   33 and name   HN) (segid "   D" and resid   33 and name  HB1) 2.487 0.773 0.773 weight 1.000 ! spec=15NN...12AB, no=254, id=1283, vol=3.959129e+06
    or (segid "   D" and resid   33 and name   HN) (segid "   D" and resid   33 and name  HB2)
assign (segid "   D" and resid   76 and name   HN) (segid "   D" and resid   76 and name  HG1) 3.035 1.152 1.152 weight 1.000 ! spec=15NN...12AB, no=266, id=1290, vol=1.379283e+06
    or (segid "   D" and resid   76 and name   HN) (segid "   D" and resid   76 and name  HG2)
assign (segid "   D" and resid   75 and name   HN) (segid "   D" and resid   75 and name  HD2) 3.765 1.772 1.772 weight 1.000 ! spec=15NN...12AB, no=269, id=1293, vol=1.048399e+06
    or (segid "   D" and resid   75 and name   HN) (segid "   D" and resid   70 and name  HB2)
assign (segid "   D" and resid   75 and name   HN) (segid "   D" and resid   76 and name  HG1) 4.211 2.217 2.217 weight 1.000 ! spec=15NN...12AB, no=273, id=1297, vol=6.593583e+05
    or (segid "   D" and resid   75 and name   HN) (segid "   D" and resid   76 and name  HG2)
assign (segid "   D" and resid   75 and name   HN) (segid "   D" and resid   75 and name  HG2) 2.130 0.567 0.567 weight 1.000 ! spec=15NN...12AB, no=274, id=1298, vol=4.568920e+06
    or (segid "   D" and resid   75 and name   HN) (segid "   D" and resid   75 and name  HB1)
assign (segid "   D" and resid   71 and name   HN) (segid "   D" and resid   52 and name  HB1) 3.263 1.331 1.331 weight 1.000 ! spec=15NN...12AB, no=312, id=1329, vol=2.441107e+06
    or (segid "   D" and resid   71 and name   HN) (segid "   D" and resid   71 and name  HB2)
assign (segid "   D" and resid   70 and name   HN) (segid "   D" and resid   75 and name  HB1) 3.899 1.900 1.900 weight 1.000 ! spec=15NN...12AB, no=318, id=1333, vol=4.723189e+05
    or (segid "   D" and resid   70 and name   HN) (segid "   D" and resid   75 and name  HB2)
assign (segid "   D" and resid   68 and name   HN) (segid "   D" and resid   66 and name   HA) 3.372 1.421 1.421 weight 1.000 ! spec=15NN...12AB, no=349, id=1361, vol=6.453319e+05
    or (segid "   D" and resid   68 and name   HN) (segid "   D" and resid   67 and name  HD2)
assign (segid "   D" and resid   68 and name   HN) (segid "   D" and resid   66 and name  HB2) 3.343 1.397 1.397 weight 1.000 ! spec=15NN...12AB, no=350, id=1362, vol=7.358126e+05
    or (segid "   D" and resid   68 and name   HN) (segid "   D" and resid   67 and name  HD1)
assign (segid "   D" and resid   63 and name   HN) (segid "   D" and resid   63 and name  HB1) 2.765 0.955 0.955 weight 1.000 ! spec=15NN...12AB, no=369, id=1377, vol=1.525548e+06
    or (segid "   D" and resid   63 and name   HN) (segid "   D" and resid   63 and name  HB2)
assign (segid "   D" and resid   63 and name   HN) (segid "   D" and resid   62 and name   HN) 4.205 2.210 2.210 weight 1.000 ! spec=15NN...12AB, no=372, id=1379, vol=4.104344e+05
    or (segid "   D" and resid   70 and name   HN) (segid "   D" and resid   63 and name   HN)
assign (segid "   D" and resid   62 and name   HN) (segid "   D" and resid   62 and name  HB1) 3.822 1.826 1.826 weight 1.000 ! spec=15NN...12AB, no=377, id=1384, vol=9.566394e+05
    or (segid "   D" and resid   62 and name   HN) (segid "   D" and resid   61 and name  HB1)
assign (segid "   D" and resid   61 and name   HN) (segid "   D" and resid   75 and name  HB2) 3.894 1.896 1.896 weight 1.000 ! spec=15NN...12AB, no=393, id=1398, vol=3.617720e+05
    or (segid "   D" and resid   61 and name   HN) (segid "   D" and resid   75 and name  HB1)
assign (segid "   D" and resid   59 and name   HN) (segid "   D" and resid   58 and name  HG1) 3.280 1.345 1.345 weight 1.000 ! spec=15NN...12AB, no=407, id=1410, vol=1.182121e+06
    or (segid "   D" and resid   59 and name   HN) (segid "   D" and resid   58 and name  HG2)
assign (segid "   D" and resid   56 and name   HN) (segid "   D" and resid   51 and name  HB2) 4.005 2.005 2.005 weight 1.000 ! spec=15NN...12AB, no=431, id=1430, vol=7.480144e+05
    or (segid "   D" and resid   56 and name   HN) (segid "   D" and resid   51 and name  HB1)
assign (segid "   D" and resid   55 and name   HN) (segid "   D" and resid   55 and name  HB1) 2.780 0.966 0.966 weight 1.000 ! spec=15NN...12AB, no=439, id=1438, vol=1.298829e+06
    or (segid "   D" and resid   55 and name   HN) (segid "   D" and resid   52 and name  HB1)
assign (segid "   D" and resid   45 and name   HN) (segid "   D" and resid   43 and name  HA1) 4.239 2.247 2.247 weight 1.000 ! spec=15NN...12AB, no=528, id=1509, vol=4.025380e+05
    or (segid "   D" and resid   45 and name   HN) (segid "   D" and resid   43 and name  HA2)
assign (segid "   D" and resid   43 and name   HN) (segid "   D" and resid   43 and name  HA1) 2.674 0.894 0.894 weight 1.000 ! spec=15NN...12AB, no=535, id=1512, vol=2.564848e+06
    or (segid "   D" and resid   43 and name   HN) (segid "   D" and resid   43 and name  HA2)
assign (segid "   D" and resid   39 and name   HN) (segid "   D" and resid   39 and name  HG2) 3.068 1.176 1.176 weight 1.000 ! spec=15NN...12AB, no=545, id=1518, vol=1.562042e+06
    or (segid "   D" and resid   39 and name   HN) (segid "   D" and resid   39 and name  HG1)
assign (segid "   D" and resid   38 and name   HN) (segid "   D" and resid   37 and name  HB1) 3.912 1.913 1.913 weight 1.000 ! spec=15NN...12AB, no=553, id=1522, vol=6.359757e+05
    or (segid "   D" and resid   38 and name   HN) (segid "   D" and resid   37 and name  HB2)
assign (segid "   D" and resid   37 and name   HN) (segid "   D" and resid   37 and name HD12) 3.858 1.860 1.860 weight 1.000 ! spec=15NN...12AB, no=561, id=1527, vol=9.527845e+05
    or (segid "   D" and resid   37 and name   HN) (segid "   D" and resid   37 and name HD11)
    or (segid "   D" and resid   37 and name   HN) (segid "   D" and resid   37 and name HD13)
    or (segid "   D" and resid   37 and name   HN) (segid "   D" and resid   35 and name HD12)
    or (segid "   D" and resid   37 and name   HN) (segid "   D" and resid   35 and name HD11)
    or (segid "   D" and resid   37 and name   HN) (segid "   D" and resid   35 and name HD13)
assign (segid "   D" and resid   36 and name   HN) (segid "   D" and resid   37 and name   HG) 3.402 1.447 1.447 weight 1.000 ! spec=15NN...12AB, no=569, id=1532, vol=1.769628e+06
    or (segid "   D" and resid   36 and name   HN) (segid "   D" and resid   37 and name  HB2)
    or (segid "   D" and resid   36 and name   HN) (segid "   D" and resid   35 and name  HB1)
assign (segid "   D" and resid   34 and name   HN) (segid "   D" and resid   34 and name  HB2) 2.581 0.833 0.833 weight 1.000 ! spec=15NN...12AB, no=583, id=1546, vol=3.279008e+06
    or (segid "   D" and resid   34 and name   HN) (segid "   D" and resid   34 and name  HB1)
assign (segid "   D" and resid   34 and name   HN) (segid "   D" and resid   33 and name  HB1) 3.171 1.257 1.257 weight 1.000 ! spec=15NN...12AB, no=584, id=1547, vol=1.043855e+06
    or (segid "   D" and resid   34 and name   HN) (segid "   D" and resid   33 and name  HB2)
assign (segid "   D" and resid   25 and name   HN) (segid "   D" and resid   24 and name   HA) 2.398 0.719 0.719 weight 1.000 ! spec=15NN...12AB, no=591, id=1553, vol=5.030439e+06
    or (segid "   D" and resid   25 and name   HN) (segid "   D" and resid   25 and name  HA1)
assign (segid "   D" and resid   32 and name   HN) (segid "   D" and resid   31 and name  HD2) 4.175 2.179 2.179 weight 1.000 ! spec=15NN...12AB, no=596, id=1555, vol=4.924122e+05
    or (segid "   D" and resid   32 and name   HN) (segid "   D" and resid   34 and name   HN)
assign (segid "   D" and resid   31 and name   HN) (segid "   D" and resid   31 and name  HE1) 3.854 1.856 1.856 weight 1.000 ! spec=15NN...12AB, no=604, id=1563, vol=5.958370e+05
    or (segid "   D" and resid   34 and name   HN) (segid "   D" and resid   31 and name   HN)
assign (segid "   D" and resid   31 and name   HN) (segid "   D" and resid   12 and name  HB2) 3.009 1.132 2.991 weight 1.000 ! spec=15NN...12AB, no=611, id=1570, vol=1.269612e+06
    or (segid "   D" and resid   31 and name   HN) (segid "   D" and resid   34 and name  HB2)
assign (segid "   D" and resid   28 and name   HN) (segid "   D" and resid   28 and name  HD1) 3.262 1.330 1.330 weight 1.000 ! spec=15NN...12AB, no=643, id=1596, vol=1.773005e+06
    or (segid "   D" and resid   28 and name   HN) (segid "   D" and resid   28 and name  HB1)
assign (segid "   D" and resid   26 and name   HN) (segid "   D" and resid   24 and name   HA) 2.914 1.061 1.061 weight 1.000 ! spec=15NN...12AB, no=662, id=1609, vol=2.087561e+06
    or (segid "   D" and resid   26 and name   HN) (segid "   D" and resid   25 and name  HA1)
assign (segid "   D" and resid   20 and name   HN) (segid "   D" and resid   20 and name  HB1) 2.631 0.865 0.865 weight 1.000 ! spec=15NN...12AB, no=673, id=1613, vol=2.155523e+06
    or (segid "   D" and resid   20 and name   HN) (segid "   D" and resid   20 and name  HB2)
assign (segid "   D" and resid   20 and name   HN) (segid "   D" and resid    5 and name  HD1) 4.226 2.233 2.233 weight 1.000 ! spec=15NN...12AB, no=675, id=1615, vol=3.703889e+05
    or (segid "   D" and resid   20 and name   HN) (segid "   D" and resid    5 and name  HD2)
assign (segid "   D" and resid   20 and name   HN) (segid "   D" and resid    5 and name  HB1) 4.618 2.666 2.666 weight 1.000 ! spec=15NN...12AB, no=677, id=1617, vol=4.402307e+05
    or (segid "   D" and resid   20 and name   HN) (segid "   D" and resid    5 and name  HG1)
    or (segid "   D" and resid   20 and name   HN) (segid "   D" and resid    5 and name  HG2)
assign (segid "   D" and resid   20 and name   HN) (segid "   D" and resid   19 and name HG22) 2.747 0.943 0.943 weight 1.000 ! spec=15NN...12AB, no=678, id=1618, vol=2.022684e+06
    or (segid "   D" and resid   20 and name   HN) (segid "   D" and resid   19 and name HG21)
    or (segid "   D" and resid   20 and name   HN) (segid "   D" and resid   19 and name HG23)
    or (segid "   D" and resid   20 and name   HN) (segid "   D" and resid   29 and name HG22)
    or (segid "   D" and resid   20 and name   HN) (segid "   D" and resid   29 and name HG21)
    or (segid "   D" and resid   20 and name   HN) (segid "   D" and resid   29 and name HG23)
assign (segid "   D" and resid   18 and name   HN) (segid "   D" and resid   17 and name  HB2) 3.973 1.973 1.973 weight 1.000 ! spec=15NN...12AB, no=685, id=1623, vol=1.120151e+06
    or (segid "   D" and resid   18 and name   HN) (segid "   D" and resid   17 and name  HB1)
assign (segid "   D" and resid   17 and name   HN) (segid "   D" and resid   17 and name  HG2) 4.058 2.059 2.059 weight 1.000 ! spec=15NN...12AB, no=699, id=1635, vol=1.026302e+06
    or (segid "   D" and resid   17 and name   HN) (segid "   D" and resid   17 and name  HG1)
assign (segid "   D" and resid   17 and name   HN) (segid "   D" and resid   17 and name  HB1) 2.476 0.767 0.767 weight 1.000 ! spec=15NN...12AB, no=700, id=1636, vol=3.345369e+06
    or (segid "   D" and resid   17 and name   HN) (segid "   D" and resid   17 and name  HB2)
assign (segid "   D" and resid   16 and name   HN) (segid "   D" and resid   15 and name   HA) 2.365 0.699 0.699 weight 1.000 ! spec=15NN...12AB, no=701, id=1637, vol=3.568184e+06
    or (segid "   D" and resid   16 and name   HN) (segid "   D" and resid   16 and name  HA2)
assign (segid "   D" and resid   16 and name   HN) (segid "   D" and resid    8 and name  HG2) 4.883 2.981 2.981 weight 1.000 ! spec=15NN...12AB, no=704, id=1640, vol=3.424425e+05
    or (segid "   D" and resid   16 and name   HN) (segid "   D" and resid    8 and name  HG1)
assign (segid "   D" and resid   12 and name   HN) (segid "   D" and resid   11 and name  HB2) 2.703 0.913 0.913 weight 1.000 ! spec=15NN...12AB, no=741, id=1667, vol=1.918370e+06
    or (segid "   D" and resid   12 and name   HN) (segid "   D" and resid   11 and name  HB1)
assign (segid "   D" and resid   10 and name   HN) (segid "   D" and resid   30 and name  HD1) 4.322 2.335 2.335 weight 1.000 ! spec=15NN...12AB, no=755, id=1678, vol=6.134025e+05
    or (segid "   D" and resid   10 and name   HN) (segid "   D" and resid   30 and name  HD2)
    or (segid "   D" and resid   10 and name   HN) (segid "   D" and resid   10 and name  HD1)
    or (segid "   D" and resid   10 and name   HN) (segid "   D" and resid   10 and name  HD2)
assign (segid "   D" and resid    8 and name   HN) (segid "   D" and resid    7 and name  HB1) 3.583 1.605 1.605 weight 1.000 ! spec=15NN...12AB, no=782, id=1701, vol=9.865596e+05
    or (segid "   D" and resid    8 and name   HN) (segid "   D" and resid    7 and name  HB2)
assign (segid "   D" and resid    8 and name   HN) (segid "   D" and resid    8 and name  HG1) 3.282 1.347 1.347 weight 1.000 ! spec=15NN...12AB, no=783, id=1702, vol=2.033093e+06
    or (segid "   D" and resid    8 and name   HN) (segid "   D" and resid    8 and name  HG2)
assign (segid "   D" and resid    7 and name   HN) (segid "   D" and resid    7 and name  HB2) 2.686 0.902 0.902 weight 1.000 ! spec=15NN...12AB, no=790, id=1708, vol=2.315240e+06
    or (segid "   D" and resid    7 and name   HN) (segid "   D" and resid    7 and name  HB1)
assign (segid "   D" and resid    5 and name   HN) (segid "   D" and resid    4 and name   HA) 2.182 0.595 0.595 weight 1.000 ! spec=15NN...12AB, no=803, id=1714, vol=6.465531e+06
    or (segid "   D" and resid    5 and name   HN) (segid "   D" and resid    5 and name   HA)
assign (segid "   D" and resid    5 and name   HN) (segid "   D" and resid    5 and name  HD1) 4.943 3.055 3.055 weight 1.000 ! spec=15NN...12AB, no=804, id=1715, vol=3.610085e+05
    or (segid "   D" and resid    5 and name   HN) (segid "   D" and resid    5 and name  HD2)
assign (segid "   D" and resid    3 and name   HN) (segid "   D" and resid    3 and name   HA) 2.647 0.876 0.876 weight 1.000 ! spec=15NN...12AB, no=810, id=1717, vol=2.619360e+06
    or (segid "   D" and resid    3 and name   HN) (segid "   D" and resid    2 and name   HA)
assign (segid "   D" and resid    3 and name   HN) (segid "   D" and resid    3 and name  HG2) 4.530 2.565 2.565 weight 1.000 ! spec=15NN...12AB, no=812, id=1719, vol=4.535254e+05
    or (segid "   D" and resid    3 and name   HN) (segid "   D" and resid    3 and name  HG1)
assign (segid "   D" and resid   31 and name  HE2) (segid "   D" and resid   31 and name  HE1) 3.015 1.136 1.136 weight 1.000 ! spec=15NN...12AB, no=829, id=1724, vol=1.031070e+06
    or (segid "   D" and resid   31 and name  HE2) (segid "   D" and resid   31 and name  HD2)
assign (segid "   D" and resid   79 and name   HN) (segid "   D" and resid   79 and name HD12) 3.628 1.645 1.645 weight 1.000 ! spec=15NN...12AB, no=832, id=1725, vol=1.294456e+06
    or (segid "   D" and resid   79 and name   HN) (segid "   D" and resid   79 and name HD11)
    or (segid "   D" and resid   79 and name   HN) (segid "   D" and resid   79 and name HD13)
    or (segid "   D" and resid   79 and name   HN) (segid "   D" and resid   79 and name HD22)
    or (segid "   D" and resid   79 and name   HN) (segid "   D" and resid   79 and name HD21)
    or (segid "   D" and resid   79 and name   HN) (segid "   D" and resid   79 and name HD23)
assign (segid "   D" and resid   31 and name  HD2) (segid "   D" and resid    9 and name  HB2) 3.089 1.192 1.192 weight 1.000 ! spec=2103..._D2O, no=13, id=858, vol=4.292102e+05
    or (segid "   D" and resid   31 and name  HD2) (segid "   D" and resid   17 and name  HB1)
assign (segid "   D" and resid   93 and name  HE1) (segid "   D" and resid   66 and name   HA) 4.513 2.546 2.546 weight 1.000 ! spec=2103..._D2O, no=52, id=887, vol=2.852859e+05
    or (segid "   D" and resid   93 and name  HE1) (segid "   D" and resid   93 and name  HB1)
assign (segid "   D" and resid   50 and name  HE1) (segid "   D" and resid   23 and name  HB1) 3.711 1.721 1.721 weight 1.000 ! spec=2103..._D2O, no=62, id=895, vol=1.629140e+05
    or (segid "   D" and resid   50 and name  HE1) (segid "   D" and resid   23 and name  HB2)
assign (segid "   D" and resid   30 and name  HE1) (segid "   D" and resid   10 and name  HB2) 3.879 1.881 1.881 weight 1.000 ! spec=2103..._D2O, no=69, id=898, vol=3.220352e+05
    or (segid "   D" and resid   30 and name  HE2) (segid "   D" and resid   10 and name  HB2)
    or (segid "   D" and resid   62 and name  HE1) (segid "   D" and resid   62 and name  HB2)
    or (segid "   D" and resid   62 and name  HE2) (segid "   D" and resid   62 and name  HB2)
assign (segid "   D" and resid   45 and name  HZ2) (segid "   D" and resid   19 and name HG22) 3.481 1.514 1.514 weight 1.000 ! spec=2103..._D2O, no=120, id=940, vol=2.162620e+05
    or (segid "   D" and resid   45 and name  HZ2) (segid "   D" and resid   19 and name HG21)
    or (segid "   D" and resid   45 and name  HZ2) (segid "   D" and resid   19 and name HG23)
    or (segid "   D" and resid   45 and name  HZ2) (segid "   D" and resid   19 and name HG12)
    or (segid "   D" and resid   45 and name  HZ2) (segid "   D" and resid   19 and name HG11)
    or (segid "   D" and resid   45 and name  HZ2) (segid "   D" and resid   19 and name HG13)
assign (segid "   D" and resid   62 and name  HE1) (segid "   D" and resid   60 and name  HB2) 4.563 2.603 2.603 weight 1.000 ! spec=2103..._D2O, no=161, id=965, vol=9.795388e+04
    or (segid "   D" and resid   62 and name  HE1) (segid "   D" and resid   60 and name  HB1)
    or (segid "   D" and resid   62 and name  HE1) (segid "   D" and resid   60 and name  HB3)
    or (segid "   D" and resid   62 and name  HE2) (segid "   D" and resid   60 and name  HB2)
    or (segid "   D" and resid   62 and name  HE2) (segid "   D" and resid   60 and name  HB1)
    or (segid "   D" and resid   62 and name  HE2) (segid "   D" and resid   60 and name  HB3)
    or (segid "   D" and resid   62 and name   HZ) (segid "   D" and resid   60 and name  HB2)
    or (segid "   D" and resid   62 and name   HZ) (segid "   D" and resid   60 and name  HB1)
    or (segid "   D" and resid   62 and name   HZ) (segid "   D" and resid   60 and name  HB3)
assign (segid "   D" and resid   45 and name  HH2) (segid "   D" and resid   48 and name  HD1) 4.073 2.074 2.074 weight 1.000 ! spec=2103..._D2O, no=174, id=971, vol=1.565620e+05
    or (segid "   D" and resid   45 and name  HH2) (segid "   D" and resid   21 and name  HB2)
assign (segid "   D" and resid   50 and name  HE1) (segid "   D" and resid   49 and name  HB2) 4.628 2.677 2.677 weight 1.000 ! spec=2103..._D2O, no=178, id=975, vol=1.210861e+05
    or (segid "   D" and resid   50 and name  HE1) (segid "   D" and resid   21 and name  HB2)
assign (segid "   D" and resid   50 and name  HD2) (segid "   D" and resid   23 and name  HB1) 4.070 2.070 2.070 weight 1.000 ! spec=2103..._D2O, no=183, id=979, vol=8.074875e+04
    or (segid "   D" and resid   50 and name  HD2) (segid "   D" and resid   23 and name  HB2)
    or (segid "   D" and resid   50 and name  HD2) (segid "   D" and resid   23 and name  HG1)
assign (segid "   D" and resid   50 and name  HD2) (segid "   D" and resid   23 and name  HD2) 4.442 2.467 2.467 weight 1.000 ! spec=2103..._D2O, no=184, id=980, vol=7.513325e+04
    or (segid "   D" and resid   50 and name  HD2) (segid "   D" and resid   23 and name  HG2)
assign (segid "   D" and resid   74 and name  HE1) (segid "   D" and resid   73 and name  HG1) 4.898 2.999 2.999 weight 1.000 ! spec=2103..._D2O, no=189, id=982, vol=7.969575e+04
    or (segid "   D" and resid   74 and name  HE1) (segid "   D" and resid   73 and name  HG2)
assign (segid "   D" and resid   74 and name  HD2) (segid "   D" and resid   76 and name  HB2) 4.305 2.317 2.317 weight 1.000 ! spec=2103..._D2O, no=191, id=983, vol=1.046962e+05
    or (segid "   D" and resid   74 and name  HD2) (segid "   D" and resid   78 and name  HG1)
    or (segid "   D" and resid   74 and name  HD2) (segid "   D" and resid   78 and name  HG2)
assign (segid "   D" and resid   93 and name  HE1) (segid "   D" and resid   65 and name  HG1) 4.796 2.875 2.875 weight 1.000 ! spec=2103..._D2O, no=201, id=991, vol=8.273812e+04
    or (segid "   D" and resid   93 and name  HE1) (segid "   D" and resid   92 and name  HG1)
assign (segid "   D" and resid   20 and name   HA) (segid "   D" and resid   19 and name HG22) 3.181 1.265 1.265 weight 1.000 ! spec=2103..._D2O, no=234, id=1019, vol=3.091629e+05
    or (segid "   D" and resid   20 and name   HA) (segid "   D" and resid   19 and name HG21)
    or (segid "   D" and resid   20 and name   HA) (segid "   D" and resid   19 and name HG23)
    or (segid "   D" and resid   20 and name   HA) (segid "   D" and resid   19 and name HG12)
    or (segid "   D" and resid   20 and name   HA) (segid "   D" and resid   19 and name HG11)
    or (segid "   D" and resid   20 and name   HA) (segid "   D" and resid   19 and name HG13)
assign (segid "   D" and resid   45 and name  HE3) (segid "   D" and resid   46 and name   HA) 3.984 1.984 1.984 weight 1.000 ! spec=2103..._D2O, no=248, id=1031, vol=9.399925e+04
    or (segid "   D" and resid   45 and name  HE3) (segid "   D" and resid   47 and name   HA)
assign (segid "   D" and resid   59 and name   HA) (segid "   D" and resid   58 and name  HG2) 4.291 2.302 2.302 weight 1.000 ! spec=2103..._D2O, no=305, id=1052, vol=7.021725e+04
    or (segid "   D" and resid   59 and name   HA) (segid "   D" and resid   58 and name  HG1)
assign (segid "   D" and resid   10 and name   HZ) (segid "   D" and resid   64 and name  HB2) 3.852 1.855 1.855 weight 1.000 ! spec=2103..._D2O, no=371, id=1086, vol=1.289528e+05
    or (segid "   D" and resid   10 and name   HZ) (segid "   D" and resid   64 and name  HB1)
assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  18  and name HN   )
       ( resid  18  and name N  ) 1.58 0.5
assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  20  and name HN   )
       ( resid  20  and name N  ) -3.41 0.5
assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  21  and name HN   )
       ( resid  21  and name N  ) -1.76 0.5
assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  26  and name HN   )
       ( resid  26  and name N  ) -3.28 0.5
assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  28  and name HN   )
       ( resid  28  and name N  ) -2.49 0.5
assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  29  and name HN   )
       ( resid  29  and name N  ) -3.41 0.5
assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  32  and name HN   )
       ( resid  32  and name N  ) -1.22 0.5
assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  34  and name HN   )
       ( resid  34  and name N  ) 2.62 0.5
assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  51  and name HN   )
       ( resid  51  and name N  ) -0.12 0.5
assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  68  and name HN   )
       ( resid  68  and name N  ) -2.31 0.5
assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  70  and name HN   )
       ( resid  70  and name N  ) 4.5 0.5
assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  72  and name HN   )
       ( resid  72  and name N  ) -2.86 0.5
assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  73  and name HN   )
       ( resid  73  and name N  ) -4.14 0.5
assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  74  and name HN   )
       ( resid  74  and name N  ) -2.55 0.5
assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  79  and name HN   )
       ( resid  79  and name N  ) -1.34 0.5
assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  80  and name HN   )
       ( resid  80  and name N  ) -0.91 0.5
assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  81  and name HN   )
       ( resid  81  and name N  ) -3.16 0.5
assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  82  and name HN   )
       ( resid  82  and name N  ) -3.04 0.5
assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  86  and name HN   )
       ( resid  86  and name N  ) 0.61 0.5
assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  87  and name HN   )
       ( resid  87  and name N  ) -0.55 0.5
assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  88  and name HN   )
       ( resid  88  and name N  ) -0.37 0.5
assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  89  and name HN   )
       ( resid  89  and name N  ) -3.95 0.5
assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  90  and name HN   )
       ( resid  90  and name N  ) -2.62 0.5! using 1.5 times the talos error! 

!    8 E  TALOS PHI = -115.00 +/- 36.00  
ASSIGN (resid    7 and name C ) (resid    8 and name N )
       (resid    8 and name CA) (resid    8 and name C )  1.00  -115.00   54.00   2

!    9 C  TALOS PHI = -111.00 +/- 16.00  
ASSIGN (resid    8 and name C ) (resid    9 and name N )
       (resid    9 and name CA) (resid    9 and name C )  1.00  -111.00   24.00   2

!   10 F  TALOS PHI = -82.00 +/- 10.00  
ASSIGN (resid    9 and name C ) (resid   10 and name N )
       (resid   10 and name CA) (resid   10 and name C )  1.00  -82.00   15.00   2

!   11 S  TALOS PHI = -63.00 +/-  9.00  
ASSIGN (resid   10 and name C ) (resid   11 and name N )
       (resid   11 and name CA) (resid   11 and name C )  1.00  -63.00   13.50   2

!   12 C  TALOS PHI = -111.00 +/- 14.00  
ASSIGN (resid   11 and name C ) (resid   12 and name N )
       (resid   12 and name CA) (resid   12 and name C )  1.00  -111.00   21.00   2

!   14 D  TALOS PHI = -98.00 +/- 22.00  
ASSIGN (resid   13 and name C ) (resid   14 and name N )
       (resid   14 and name CA) (resid   14 and name C )  1.00  -98.00   33.00   2

!   15 A  TALOS PHI = -107.00 +/- 30.00  
ASSIGN (resid   14 and name C ) (resid   15 and name N )
       (resid   15 and name CA) (resid   15 and name C )  1.00  -107.00   45.00   2

!   18 L  TALOS PHI = -104.00 +/- 13.00  
ASSIGN (resid   17 and name C ) (resid   18 and name N )
       (resid   18 and name CA) (resid   18 and name C )  1.00  -104.00   19.50   2

!   19 V  TALOS PHI = -121.00 +/- 12.00  
ASSIGN (resid   18 and name C ) (resid   19 and name N )
       (resid   19 and name CA) (resid   19 and name C )  1.00  -121.00   18.00   2

!   20 S  TALOS PHI = -113.00 +/- 28.00  
ASSIGN (resid   19 and name C ) (resid   20 and name N )
       (resid   20 and name CA) (resid   20 and name C )  1.00  -113.00   42.00   2

!   21 C  TALOS PHI = -101.00 +/- 32.00  
ASSIGN (resid   20 and name C ) (resid   21 and name N )
       (resid   21 and name CA) (resid   21 and name C )  1.00  -101.00   48.00   2

!   23 K  TALOS PHI = -85.00 +/- 21.00  
ASSIGN (resid   22 and name C ) (resid   23 and name N )
       (resid   23 and name CA) (resid   23 and name C )  1.00  -85.00   31.50   2

!   24 P  TALOS PHI = -65.00 +/- 13.00  
ASSIGN (resid   23 and name C ) (resid   24 and name N )
       (resid   24 and name CA) (resid   24 and name C )  1.00  -65.00   19.50   2

!   26 C  TALOS PHI = -122.00 +/- 27.00  
ASSIGN (resid   25 and name C ) (resid   26 and name N )
       (resid   26 and name CA) (resid   26 and name C )  1.00  -122.00   40.50   2

!   28 K  TALOS PHI = -93.00 +/-  9.00  
ASSIGN (resid   27 and name C ) (resid   28 and name N )
       (resid   28 and name CA) (resid   28 and name C )  1.00  -93.00   13.50   2

!   29 V  TALOS PHI = -134.00 +/-  8.00  
ASSIGN (resid   28 and name C ) (resid   29 and name N )
       (resid   29 and name CA) (resid   29 and name C )  1.00  -134.00   12.00   2

!   30 Y  TALOS PHI = -134.00 +/- 23.00  
ASSIGN (resid   29 and name C ) (resid   30 and name N )
       (resid   30 and name CA) (resid   30 and name C )  1.00  -134.00   34.50   2

!   32 A  TALOS PHI = -62.00 +/-  8.00  
ASSIGN (resid   31 and name C ) (resid   32 and name N )
       (resid   32 and name CA) (resid   32 and name C )  1.00  -62.00   12.00   2

!   33 D  TALOS PHI = -61.00 +/-  3.00  
ASSIGN (resid   32 and name C ) (resid   33 and name N )
       (resid   33 and name CA) (resid   33 and name C )  1.00  -61.00   4.50   2

!   34 C  TALOS PHI = -70.00 +/- 10.00  
ASSIGN (resid   33 and name C ) (resid   34 and name N )
       (resid   34 and name CA) (resid   34 and name C )  1.00  -70.00   15.00   2

!   35 L  TALOS PHI = -99.00 +/- 11.00  
ASSIGN (resid   34 and name C ) (resid   35 and name N )
       (resid   35 and name CA) (resid   35 and name C )  1.00  -99.00   16.50   2

!   36 N  TALOS PHI = 56.00 +/- 11.00  
ASSIGN (resid   35 and name C ) (resid   36 and name N )
       (resid   36 and name CA) (resid   36 and name C )  1.00   56.00   16.50   2

!   38 T  TALOS PHI = -97.00 +/- 20.00  
ASSIGN (resid   37 and name C ) (resid   38 and name N )
       (resid   38 and name CA) (resid   38 and name C )  1.00  -97.00   30.00   2

!   39 K  TALOS PHI = -122.00 +/- 43.00  
ASSIGN (resid   38 and name C ) (resid   39 and name N )
       (resid   39 and name CA) (resid   39 and name C )  1.00  -122.00   64.50   2

!   40 R  TALOS PHI = -71.00 +/- 19.00  
ASSIGN (resid   39 and name C ) (resid   40 and name N )
       (resid   40 and name CA) (resid   40 and name C )  1.00  -71.00   28.50   2

!   41 P  TALOS PHI = -66.00 +/- 10.00  
ASSIGN (resid   40 and name C ) (resid   41 and name N )
       (resid   41 and name CA) (resid   41 and name C )  1.00  -66.00   15.00   2

!   42 A  TALOS PHI = -97.00 +/- 26.00  
ASSIGN (resid   41 and name C ) (resid   42 and name N )
       (resid   42 and name CA) (resid   42 and name C )  1.00  -97.00   39.00   2

!   44 K  TALOS PHI = -94.00 +/- 29.00  
ASSIGN (resid   43 and name C ) (resid   44 and name N )
       (resid   44 and name CA) (resid   44 and name C )  1.00  -94.00   43.50   2

!   45 W  TALOS PHI = -81.00 +/- 21.00  
ASSIGN (resid   44 and name C ) (resid   45 and name N )
       (resid   45 and name CA) (resid   45 and name C )  1.00  -81.00   31.50   2

!   48 P  TALOS PHI = -62.00 +/-  7.00  
ASSIGN (resid   47 and name C ) (resid   48 and name N )
       (resid   48 and name CA) (resid   48 and name C )  1.00  -62.00   10.50   2

!   49 W  TALOS PHI = -83.00 +/- 21.00  
ASSIGN (resid   48 and name C ) (resid   49 and name N )
       (resid   49 and name CA) (resid   49 and name C )  1.00  -83.00   31.50   2

!   50 H  TALOS PHI = -94.00 +/- 18.00  
ASSIGN (resid   49 and name C ) (resid   50 and name N )
       (resid   50 and name CA) (resid   50 and name C )  1.00  -94.00   27.00   2

!   51 Q  TALOS PHI = -115.00 +/- 35.00  
ASSIGN (resid   50 and name C ) (resid   51 and name N )
       (resid   51 and name CA) (resid   51 and name C )  1.00  -115.00   52.50   2

!   52 C  TALOS PHI = -70.00 +/- 13.00  
ASSIGN (resid   51 and name C ) (resid   52 and name N )
       (resid   52 and name CA) (resid   52 and name C )  1.00  -70.00   19.50   2

!   53 D  TALOS PHI = -59.00 +/-  8.00  
ASSIGN (resid   52 and name C ) (resid   53 and name N )
       (resid   53 and name CA) (resid   53 and name C )  1.00  -59.00   12.00   2

!   54 V  TALOS PHI = -79.00 +/- 23.00  
ASSIGN (resid   53 and name C ) (resid   54 and name N )
       (resid   54 and name CA) (resid   54 and name C )  1.00  -79.00   34.50   2

!   55 C  TALOS PHI = -114.00 +/- 14.00  
ASSIGN (resid   54 and name C ) (resid   55 and name N )
       (resid   55 and name CA) (resid   55 and name C )  1.00  -114.00   21.00   2

!   61 S  TALOS PHI = -123.00 +/- 26.00  
ASSIGN (resid   60 and name C ) (resid   61 and name N )
       (resid   61 and name CA) (resid   61 and name C )  1.00  -123.00   39.00   2

!   70 F  TALOS PHI = -127.00 +/- 11.00  
ASSIGN (resid   69 and name C ) (resid   70 and name N )
       (resid   70 and name CA) (resid   70 and name C )  1.00  -127.00   16.50   2

!   71 C  TALOS PHI = -83.00 +/- 13.00  
ASSIGN (resid   70 and name C ) (resid   71 and name N )
       (resid   71 and name CA) (resid   71 and name C )  1.00  -83.00   19.50   2

!   72 K  TALOS PHI = -57.00 +/- 10.00  
ASSIGN (resid   71 and name C ) (resid   72 and name N )
       (resid   72 and name CA) (resid   72 and name C )  1.00  -57.00   15.00   2

!   73 Q  TALOS PHI = -72.00 +/-  8.00  
ASSIGN (resid   72 and name C ) (resid   73 and name N )
       (resid   73 and name CA) (resid   73 and name C )  1.00  -72.00   12.00   2

!   75 R  TALOS PHI = -96.00 +/- 13.00  
ASSIGN (resid   74 and name C ) (resid   75 and name N )
       (resid   75 and name CA) (resid   75 and name C )  1.00  -96.00   19.50   2

!   76 E  TALOS PHI = -56.00 +/-  7.00  
ASSIGN (resid   75 and name C ) (resid   76 and name N )
       (resid   76 and name CA) (resid   76 and name C )  1.00  -56.00   10.50   2

!   77 G  TALOS PHI = 82.00 +/- 16.00  
ASSIGN (resid   76 and name C ) (resid   77 and name N )
       (resid   77 and name CA) (resid   77 and name C )  1.00   82.00   24.00   2

!   79 L  TALOS PHI = -133.00 +/- 16.00  
ASSIGN (resid   78 and name C ) (resid   79 and name N )
       (resid   79 and name CA) (resid   79 and name C )  1.00  -133.00   24.00   2

!   80 F  TALOS PHI = -130.00 +/- 12.00  
ASSIGN (resid   79 and name C ) (resid   80 and name N )
       (resid   80 and name CA) (resid   80 and name C )  1.00  -130.00   18.00   2

!   81 I  TALOS PHI = -96.00 +/- 21.00  
ASSIGN (resid   80 and name C ) (resid   81 and name N )
       (resid   81 and name CA) (resid   81 and name C )  1.00  -96.00   31.50   2

!   82 S  TALOS PHI = -79.00 +/- 29.00  
ASSIGN (resid   81 and name C ) (resid   82 and name N )
       (resid   82 and name CA) (resid   82 and name C )  1.00  -79.00   43.50   2

!   83 K  TALOS PHI = -62.00 +/-  7.00  
ASSIGN (resid   82 and name C ) (resid   83 and name N )
       (resid   83 and name CA) (resid   83 and name C )  1.00  -62.00   10.50   2

!   84 L  TALOS PHI = -73.00 +/-  8.00  
ASSIGN (resid   83 and name C ) (resid   84 and name N )
       (resid   84 and name CA) (resid   84 and name C )  1.00  -73.00   12.00   2

!   85 D  TALOS PHI = -104.00 +/- 21.00  
ASSIGN (resid   84 and name C ) (resid   85 and name N )
       (resid   85 and name CA) (resid   85 and name C )  1.00  -104.00   31.50   2

!   87 R  TALOS PHI = -75.00 +/- 12.00  
ASSIGN (resid   86 and name C ) (resid   87 and name N )
       (resid   87 and name CA) (resid   87 and name C )  1.00  -75.00   18.00   2

!   88 L  TALOS PHI = -89.00 +/- 16.00  
ASSIGN (resid   87 and name C ) (resid   88 and name N )
       (resid   88 and name CA) (resid   88 and name C )  1.00  -89.00   24.00   2

!   89 S  TALOS PHI = -125.00 +/- 10.00  
ASSIGN (resid   88 and name C ) (resid   89 and name N )
       (resid   89 and name CA) (resid   89 and name C )  1.00  -125.00   15.00   2

!   92 E  TALOS PHI = -89.00 +/- 17.00  
ASSIGN (resid   91 and name C ) (resid   92 and name N )
       (resid   92 and name CA) (resid   92 and name C )  1.00  -89.00   25.50   2

!   93 H  TALOS PHI = -110.00 +/- 37.00  
ASSIGN (resid   92 and name C ) (resid   93 and name N )
       (resid   93 and name CA) (resid   93 and name C )  1.00  -110.00   55.50   2

! using 1.5 times the talos error! 

!    8 E  TALOS PSI = 138.00 +/- 22.00  
ASSIGN (resid    8 and name N ) (resid    8 and name CA )
       (resid    8 and name C) (resid    9 and name N )  1.00   138.00   33.00   2

!    9 C  TALOS PSI = 125.00 +/- 10.00  
ASSIGN (resid    9 and name N ) (resid    9 and name CA )
       (resid    9 and name C) (resid   10 and name N )  1.00   125.00   15.00   2

!   10 F  TALOS PSI = -30.00 +/- 20.00  
ASSIGN (resid   10 and name N ) (resid   10 and name CA )
       (resid   10 and name C) (resid   11 and name N )  1.00   -30.00   30.00   2

!   11 S  TALOS PSI = -31.00 +/- 10.00  
ASSIGN (resid   11 and name N ) (resid   11 and name CA )
       (resid   11 and name C) (resid   12 and name N )  1.00  -31.00   15.00   2

!   12 C  TALOS PSI = -9.00 +/- 12.00  
ASSIGN (resid   12 and name N ) (resid   12 and name CA )
       (resid   12 and name C) (resid   13 and name N )  1.00  -9.00   18.00   2

!   14 D  TALOS PSI = 148.00 +/- 21.00  
ASSIGN (resid   14 and name N ) (resid   14 and name CA )
       (resid   14 and name C) (resid   15 and name N )  1.00   148.00   31.50   2

!   15 A  TALOS PSI = 133.00 +/- 15.00  
ASSIGN (resid   15 and name N ) (resid   15 and name CA )
       (resid   15 and name C) (resid   16 and name N )  1.00   133.00   22.50   2

!   18 L  TALOS PSI = 136.00 +/- 11.00  
ASSIGN (resid   18 and name N ) (resid   18 and name CA )
       (resid   18 and name C) (resid   19 and name N )  1.00   136.00   16.50   2

!   19 V  TALOS PSI = 149.00 +/- 13.00  
ASSIGN (resid   19 and name N ) (resid   19 and name CA )
       (resid   19 and name C) (resid   20 and name N )  1.00   149.00   19.50   2

!   20 S  TALOS PSI = 134.00 +/- 19.00  
ASSIGN (resid   20 and name N ) (resid   20 and name CA )
       (resid   20 and name C) (resid   21 and name N )  1.00   134.00   28.50   2

!   21 C  TALOS PSI = 136.00 +/- 15.00  
ASSIGN (resid   21 and name N ) (resid   21 and name CA )
       (resid   21 and name C) (resid   22 and name N )  1.00   136.00   22.50   2

!   23 K  TALOS PSI = 137.00 +/- 19.00  
ASSIGN (resid   23 and name N ) (resid   23 and name CA )
       (resid   23 and name C) (resid   24 and name N )  1.00   137.00   28.50   2

!   24 P  TALOS PSI = 146.00 +/- 10.00  
ASSIGN (resid   24 and name N ) (resid   24 and name CA )
       (resid   24 and name C) (resid   25 and name N )  1.00   146.00   15.00   2

!   26 C  TALOS PSI = 132.00 +/- 17.00  
ASSIGN (resid   26 and name N ) (resid   26 and name CA )
       (resid   26 and name C) (resid   27 and name N )  1.00   132.00   25.50   2

!   28 K  TALOS PSI = 140.00 +/- 20.00  
ASSIGN (resid   28 and name N ) (resid   28 and name CA )
       (resid   28 and name C) (resid   29 and name N )  1.00   140.00   20.00   2

!   29 V  TALOS PSI = 165.00 +/- 16.00  
ASSIGN (resid   29 and name N ) (resid   29 and name CA )
       (resid   29 and name C) (resid   30 and name N )  1.00   165.00   24.00   2

!   30 Y  TALOS PSI = 156.00 +/-  7.00  
ASSIGN (resid   30 and name N ) (resid   30 and name CA )
       (resid   30 and name C) (resid   31 and name N )  1.00   156.00   10.50   2

!   32 A  TALOS PSI = -43.00 +/-  7.00  
ASSIGN (resid   32 and name N ) (resid   32 and name CA )
       (resid   32 and name C) (resid   33 and name N )  1.00  -43.00   10.50   2

!   33 D  TALOS PSI = -39.00 +/-  9.00  
ASSIGN (resid   33 and name N ) (resid   33 and name CA )
       (resid   33 and name C) (resid   34 and name N )  1.00  -39.00   13.50   2

!   34 C  TALOS PSI = -34.00 +/- 15.00  
ASSIGN (resid   34 and name N ) (resid   34 and name CA )
       (resid   34 and name C) (resid   35 and name N )  1.00  -34.00   22.50   2

!   35 L  TALOS PSI =  6.00 +/-  8.00  
ASSIGN (resid   35 and name N ) (resid   35 and name CA )
       (resid   35 and name C) (resid   36 and name N )  1.00   6.00   12.00   2

!   36 N  TALOS PSI = 42.00 +/-  7.00  
ASSIGN (resid   36 and name N ) (resid   36 and name CA )
       (resid   36 and name C) (resid   37 and name N )  1.00   42.00   10.50   2

!   38 T  TALOS PSI = -11.00 +/- 25.00  
ASSIGN (resid   38 and name N ) (resid   38 and name CA )
       (resid   38 and name C) (resid   39 and name N )  1.00  -11.00   37.50   2

!   39 K  TALOS PSI = 142.00 +/- 22.00  
ASSIGN (resid   39 and name N ) (resid   39 and name CA )
       (resid   39 and name C) (resid   40 and name N )  1.00   142.00   33.00   2

!   40 R  TALOS PSI = 137.00 +/- 15.00  
ASSIGN (resid   40 and name N ) (resid   40 and name CA )
       (resid   40 and name C) (resid   41 and name N )  1.00   137.00   22.50   2

!   41 P  TALOS PSI = 150.00 +/- 11.00  
ASSIGN (resid   41 and name N ) (resid   41 and name CA )
       (resid   41 and name C) (resid   42 and name N )  1.00   150.00   16.50   2

!   42 A  TALOS PSI = 131.00 +/- 18.00  
ASSIGN (resid   42 and name N ) (resid   42 and name CA )
       (resid   42 and name C) (resid   43 and name N )  1.00   131.00   27.00   2

!   44 K  TALOS PSI = 138.00 +/- 19.00  
ASSIGN (resid   44 and name N ) (resid   44 and name CA )
       (resid   44 and name C) (resid   45 and name N )  1.00   138.00   28.50   2

!   45 W  TALOS PSI = 125.00 +/- 10.00  
ASSIGN (resid   45 and name N ) (resid   45 and name CA )
       (resid   45 and name C) (resid   46 and name N )  1.00   125.00   15.00   2

!   48 P  TALOS PSI = 15.00 +/-  20.00  
ASSIGN (resid   48 and name N ) (resid   48 and name CA )
       (resid   48 and name C) (resid   49 and name N )  1.00    15.00   20.00   2

!   49 W  TALOS PSI = -20.00 +/- 23.00  
ASSIGN (resid   49 and name N ) (resid   49 and name CA )
       (resid   49 and name C) (resid   50 and name N )  1.00  -20.00   34.50   2

!   50 H  TALOS PSI = -2.00 +/- 20.00  
ASSIGN (resid   50 and name N ) (resid   50 and name CA )
       (resid   50 and name C) (resid   51 and name N )  1.00  -2.00   30.00   2

!   51 Q  TALOS PSI = 124.00 +/- 33.00  
ASSIGN (resid   51 and name N ) (resid   51 and name CA )
       (resid   51 and name C) (resid   52 and name N )  1.00   124.00   49.50   2

!   52 C  TALOS PSI = 124.00 +/-  7.00  
ASSIGN (resid   52 and name N ) (resid   52 and name CA )
       (resid   52 and name C) (resid   53 and name N )  1.00   124.00   10.50   2

!   53 D  TALOS PSI = -27.00 +/- 16.00  
ASSIGN (resid   53 and name N ) (resid   53 and name CA )
       (resid   53 and name C) (resid   54 and name N )  1.00  -27.00   24.00   2

!   54 V  TALOS PSI = -38.00 +/- 14.00  
ASSIGN (resid   54 and name N ) (resid   54 and name CA )
       (resid   54 and name C) (resid   55 and name N )  1.00  -38.00   21.00   2

!   55 C  TALOS PSI = -15.00 +/- 11.00  
ASSIGN (resid   55 and name N ) (resid   55 and name CA )
       (resid   55 and name C) (resid   56 and name N )  1.00  -15.00   16.50   2

!   61 S  TALOS PSI = 142.00 +/- 15.00  
ASSIGN (resid   61 and name N ) (resid   61 and name CA )
       (resid   61 and name C) (resid   62 and name N )  1.00   142.00   22.50   2

!   70 F  TALOS PSI = 155.00 +/-  6.00  
ASSIGN (resid   70 and name N ) (resid   70 and name CA )
       (resid   70 and name C) (resid   71 and name N )  1.00   155.00   9.00   2

!   71 C  TALOS PSI = 170.00 +/- 12.00  
ASSIGN (resid   71 and name N ) (resid   71 and name CA )
       (resid   71 and name C) (resid   72 and name N )  1.00   170.00   18.00   2

!   72 K  TALOS PSI = -39.00 +/-  9.00  
ASSIGN (resid   72 and name N ) (resid   72 and name CA )
       (resid   72 and name C) (resid   73 and name N )  1.00  -39.00   13.50   2

!   73 Q  TALOS PSI = -32.00 +/- 13.00  
ASSIGN (resid   73 and name N ) (resid   73 and name CA )
       (resid   73 and name C) (resid   74 and name N )  1.00  -32.00   19.50   2

!   75 R  TALOS PSI = -5.00 +/- 18.00  
ASSIGN (resid   75 and name N ) (resid   75 and name CA )
       (resid   75 and name C) (resid   76 and name N )  1.00  -5.00   27.00   2

!   76 E  TALOS PSI = 132.00 +/-  5.00  
ASSIGN (resid   76 and name N ) (resid   76 and name CA )
       (resid   76 and name C) (resid   77 and name N )  1.00   132.00   7.50   2

!   77 G  TALOS PSI =  2.00 +/- 20.00  
ASSIGN (resid   77 and name N ) (resid   77 and name CA )
       (resid   77 and name C) (resid   78 and name N )  1.00   2.00   30.00   2

!   79 L  TALOS PSI = 156.00 +/-  8.00  
ASSIGN (resid   79 and name N ) (resid   79 and name CA )
       (resid   79 and name C) (resid   80 and name N )  1.00   156.00   12.00   2

!   80 F  TALOS PSI = 146.00 +/- 13.00  
ASSIGN (resid   80 and name N ) (resid   80 and name CA )
       (resid   80 and name C) (resid   81 and name N )  1.00   146.00   19.50   2

!   81 I  TALOS PSI = 126.00 +/- 15.00  
ASSIGN (resid   81 and name N ) (resid   81 and name CA )
       (resid   81 and name C) (resid   82 and name N )  1.00   126.00   22.50   2

!   82 S  TALOS PSI = 127.00 +/- 18.00  
ASSIGN (resid   82 and name N ) (resid   82 and name CA )
       (resid   82 and name C) (resid   83 and name N )  1.00   127.00   27.00   2

!   83 K  TALOS PSI = -25.00 +/- 14.00  
ASSIGN (resid   83 and name N ) (resid   83 and name CA )
       (resid   83 and name C) (resid   84 and name N )  1.00  -25.00   21.00   2

!   84 L  TALOS PSI = -30.00 +/- 17.00  
ASSIGN (resid   84 and name N ) (resid   84 and name CA )
       (resid   84 and name C) (resid   85 and name N )  1.00  -30.00   25.50   2

!   85 D  TALOS PSI =  3.00 +/- 19.00  
ASSIGN (resid   85 and name N ) (resid   85 and name CA )
       (resid   85 and name C) (resid   86 and name N )  1.00   3.00   28.50   2

!   87 R  TALOS PSI = 138.00 +/- 10.00  
ASSIGN (resid   87 and name N ) (resid   87 and name CA )
       (resid   87 and name C) (resid   88 and name N )  1.00   138.00   15.00   2

!   88 L  TALOS PSI = 130.00 +/- 15.00  
ASSIGN (resid   88 and name N ) (resid   88 and name CA )
       (resid   88 and name C) (resid   89 and name N )  1.00   130.00   22.50   2

!   89 S  TALOS PSI = 125.00 +/-  6.00  
ASSIGN (resid   89 and name N ) (resid   89 and name CA )
       (resid   89 and name C) (resid   90 and name N )  1.00   125.00   9.00   2

!   92 E  TALOS PSI = -6.00 +/- 23.00  
ASSIGN (resid   92 and name N ) (resid   92 and name CA )
       (resid   92 and name C) (resid   93 and name N )  1.00  -6.00   34.50   2

!   93 H  TALOS PSI = 110.00 +/- 39.00  
ASSIGN (resid   93 and name N ) (resid   93 and name CA )
       (resid   93 and name C) (resid   94 and name N )  1.00   110.00   58.50   2



assi 
   (( segid "   D" and resid 53   and name  HN  ))
   (( segid "   D" and resid 69   and name  O   ))
      2.200     0.470     0.500

assi 
   (( segid "   D" and resid 63   and name  HN  ))
   (( segid "   D" and resid 68   and name  O   ))
      2.200     0.470     0.500

assi 
   (( segid "   D" and resid 66   and name  HN  ))
   (( segid "   D" and resid 63   and name  O   ))
      2.200     0.470     0.500

assi 
   (( segid "   D" and resid 52   and name  HN  ))
   (( segid "   D" and resid 57   and name  O   ))
      2.200     0.470     0.500

assi 
   (( segid "   D" and resid 19   and name  HN  ))
   (( segid "   D" and resid 30   and name  O   ))
      2.200     0.470     0.500

assi 
   (( segid "   D" and resid 30   and name  HN  ))
   (( segid "   D" and resid 19   and name  O   ))
      2.200     0.470     0.500

assi 
   (( segid "   D" and resid 59   and name  HN  ))
   (( segid "   D" and resid 50   and name  O   ))
      2.200     0.470     0.500

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   GLY   1           HT1      GLY   1  11.870  -1.693   7.995
    2    H2   GLY   1           HT2      GLY   1  11.102  -0.241   7.603
    3    H3   GLY   1           HT3      GLY   1  10.636  -1.679   6.842
    4    HA2  GLY   1           HA1      GLY   1   9.033  -1.035   8.533
    5    HA3  GLY   1           HA2      GLY   1   9.811  -2.567   8.914
    6    H    ALA   2           HN       ALA   2   8.705  -1.465  11.001
    7    HA   ALA   2           HA       ALA   2  10.987  -0.377  12.509
    8    HB1  ALA   2           HB1      ALA   2   9.365   1.429  12.045
    9    HB2  ALA   2           HB2      ALA   2   9.509   1.074  13.767
   10    HB3  ALA   2           HB3      ALA   2   8.119   0.484  12.860
   11    H    MET   3           HN       MET   3   9.577  -3.025  12.059
   12    HA   MET   3           HA       MET   3   9.646  -3.968  14.772
   13    HB2  MET   3           HB2      MET   3   7.331  -3.068  14.599
   14    HB3  MET   3           HB1      MET   3   7.046  -4.126  13.226
   15    HG2  MET   3           HG2      MET   3   6.068  -5.097  15.177
   16    HG3  MET   3           HG1      MET   3   7.454  -6.072  14.687
   17    HE1  MET   3           HE1      MET   3   6.155  -3.316  17.116
   18    HE2  MET   3           HE2      MET   3   7.657  -2.583  16.550
   19    HE3  MET   3           HE3      MET   3   7.511  -3.114  18.224
   20    H    GLU   4           HN       GLU   4   8.510  -4.610  11.499
   21    HA   GLU   4           HA       GLU   4  10.369  -6.807  11.237
   22    HB2  GLU   4           HB2      GLU   4   8.631  -8.375  10.425
   23    HB3  GLU   4           HB1      GLU   4   8.425  -7.973  12.123
   24    HG2  GLU   4           HG2      GLU   4   6.667  -6.392  11.535
   25    HG3  GLU   4           HG1      GLU   4   6.878  -6.793   9.832
   26    H    ARG   5           HN       ARG   5  10.130  -7.690   8.892
   27    HA   ARG   5           HA       ARG   5   9.199  -5.681   7.015
   28    HB2  ARG   5           HB2      ARG   5  11.467  -4.928   7.622
   29    HB3  ARG   5           HB1      ARG   5  12.105  -6.500   7.170
   30    HG2  ARG   5           HG2      ARG   5  11.251  -6.075   4.853
   31    HG3  ARG   5           HG1      ARG   5  10.899  -4.424   5.368
   32    HD2  ARG   5           HD2      ARG   5  13.064  -4.528   4.268
   33    HD3  ARG   5           HD1      ARG   5  13.252  -4.117   5.972
   34    HE   ARG   5           HE       ARG   5  13.499  -6.931   5.341
   35   HH11  ARG   5          HH11      ARG   5  15.159  -3.892   5.819
   36   HH12  ARG   5          HH12      ARG   5  16.700  -4.634   6.108
   37   HH21  ARG   5          HH21      ARG   5  15.517  -7.918   5.750
   38   HH22  ARG   5          HH22      ARG   5  16.903  -6.928   6.075
   39    H    GLU   6           HN       GLU   6   7.855  -7.143   6.047
   40    HA   GLU   6           HA       GLU   6   8.502  -9.809   5.451
   41    HB2  GLU   6           HB2      GLU   6   6.500  -7.933   4.187
   42    HB3  GLU   6           HB1      GLU   6   6.585  -9.655   3.840
   43    HG2  GLU   6           HG2      GLU   6   6.097 -10.171   6.157
   44    HG3  GLU   6           HG1      GLU   6   6.086  -8.454   6.555
   45    H    ASP   7           HN       ASP   7   9.051 -10.782   3.415
   46    HA   ASP   7           HA       ASP   7  10.846  -9.020   1.906
   47    HB2  ASP   7           HB2      ASP   7  10.932 -12.001   2.351
   48    HB3  ASP   7           HB1      ASP   7  11.988 -11.153   1.227
   49    H    GLU   8           HN       GLU   8   8.349  -8.730   1.106
   50    HA   GLU   8           HA       GLU   8   8.512  -9.677  -1.621
   51    HB2  GLU   8           HB2      GLU   8   7.191 -11.434  -0.529
   52    HB3  GLU   8           HB1      GLU   8   6.091 -10.221   0.106
   53    HG2  GLU   8           HG2      GLU   8   5.422  -9.632  -2.164
   54    HG3  GLU   8           HG1      GLU   8   6.523 -10.852  -2.804
   55    H    CYS   9           HN       CYS   9   7.421  -8.325  -3.069
   56    HA   CYS   9           HA       CYS   9   6.918  -5.669  -2.044
   57    HB2  CYS   9           HB2      CYS   9   8.138  -5.861  -4.128
   58    HB3  CYS   9           HB1      CYS   9   6.854  -6.846  -4.826
   59    H    PHE  10           HN       PHE  10   4.978  -5.070  -1.356
   60    HA   PHE  10           HA       PHE  10   2.681  -6.692  -1.662
   61    HB2  PHE  10           HB2      PHE  10   3.017  -5.272   0.301
   62    HB3  PHE  10           HB1      PHE  10   2.928  -3.830  -0.700
   63    HD1  PHE  10           HD1      PHE  10   0.914  -2.726  -0.890
   64    HD2  PHE  10           HD2      PHE  10   0.925  -6.836   0.220
   65    HE1  PHE  10           HE1      PHE  10  -1.515  -2.634  -0.533
   66    HE2  PHE  10           HE2      PHE  10  -1.504  -6.748   0.577
   67    HZ   PHE  10           HZ       PHE  10  -2.726  -4.644   0.200
   68    H    SER  11           HN       SER  11   4.028  -4.220  -3.632
   69    HA   SER  11           HA       SER  11   1.604  -3.519  -4.985
   70    HB2  SER  11           HB2      SER  11   4.447  -3.153  -5.952
   71    HB3  SER  11           HB1      SER  11   3.018  -2.276  -6.496
   72    HG   SER  11           HG       SER  11   3.590  -0.906  -5.012
   73    H    CYS  12           HN       CYS  12   4.303  -5.728  -5.623
   74    HA   CYS  12           HA       CYS  12   3.067  -6.432  -8.191
   75    HB2  CYS  12           HB2      CYS  12   5.862  -7.011  -7.191
   76    HB3  CYS  12           HB1      CYS  12   5.250  -7.342  -8.812
   77    H    GLY  13           HN       GLY  13   3.840  -7.746  -5.069
   78    HA2  GLY  13           HA2      GLY  13   3.241  -9.816  -4.184
   79    HA3  GLY  13           HA1      GLY  13   2.653 -10.293  -5.774
   80    H    ASP  14           HN       ASP  14   5.722  -8.929  -5.866
   81    HA   ASP  14           HA       ASP  14   6.991 -11.581  -5.991
   82    HB2  ASP  14           HB2      ASP  14   7.496  -9.165  -7.738
   83    HB3  ASP  14           HB1      ASP  14   8.471 -10.628  -7.763
   84    H    ALA  15           HN       ALA  15   9.239 -11.633  -5.469
   85    HA   ALA  15           HA       ALA  15  10.042  -9.488  -3.638
   86    HB1  ALA  15           HB1      ALA  15  11.592 -11.116  -2.682
   87    HB2  ALA  15           HB2      ALA  15  11.059 -12.316  -3.861
   88    HB3  ALA  15           HB3      ALA  15   9.931 -11.706  -2.650
   89    H    GLY  16           HN       GLY  16  12.337  -8.854  -3.663
   90    HA2  GLY  16           HA2      GLY  16  14.215  -9.399  -5.568
   91    HA3  GLY  16           HA1      GLY  16  13.114  -8.283  -6.365
   92    H    GLN  17           HN       GLN  17  14.437  -6.507  -6.503
   93    HA   GLN  17           HA       GLN  17  15.994  -5.568  -4.295
   94    HB2  GLN  17           HB2      GLN  17  16.528  -5.138  -6.710
   95    HB3  GLN  17           HB1      GLN  17  15.154  -4.043  -6.765
   96    HG2  GLN  17           HG2      GLN  17  16.201  -2.654  -5.050
   97    HG3  GLN  17           HG1      GLN  17  17.584  -3.746  -5.016
   98   HE21  GLN  17          HE21      GLN  17  18.984  -3.807  -6.795
   99   HE22  GLN  17          HE22      GLN  17  19.036  -2.526  -7.954
  100    H    LEU  18           HN       LEU  18  14.721  -5.194  -2.532
  101    HA   LEU  18           HA       LEU  18  12.298  -3.595  -2.924
  102    HB2  LEU  18           HB2      LEU  18  13.042  -5.466  -0.679
  103    HB3  LEU  18           HB1      LEU  18  11.524  -4.600  -0.822
  104    HG   LEU  18           HG       LEU  18  12.415  -6.501  -2.957
  105   HD11  LEU  18          HD11      LEU  18  10.821  -7.186  -0.501
  106   HD12  LEU  18          HD12      LEU  18  12.446  -7.759  -0.875
  107   HD13  LEU  18          HD13      LEU  18  11.084  -8.239  -1.888
  108   HD21  LEU  18          HD21      LEU  18   9.723  -5.505  -2.070
  109   HD22  LEU  18          HD22      LEU  18  10.023  -6.630  -3.392
  110   HD23  LEU  18          HD23      LEU  18  10.612  -4.972  -3.494
  111    H    VAL  19           HN       VAL  19  11.856  -1.835  -1.744
  112    HA   VAL  19           HA       VAL  19  13.844  -0.902   0.218
  113    HB   VAL  19           HB       VAL  19  13.875   0.606  -1.662
  114   HG11  VAL  19          HG11      VAL  19  11.770   0.064  -2.714
  115   HG12  VAL  19          HG12      VAL  19  11.856   1.801  -2.431
  116   HG13  VAL  19          HG13      VAL  19  10.879   0.783  -1.373
  117   HG21  VAL  19          HG21      VAL  19  13.133   2.718  -0.614
  118   HG22  VAL  19          HG22      VAL  19  14.046   1.687   0.485
  119   HG23  VAL  19          HG23      VAL  19  12.291   1.779   0.618
  120    H    SER  20           HN       SER  20  13.081  -0.535   2.256
  121    HA   SER  20           HA       SER  20  10.290  -1.298   2.648
  122    HB2  SER  20           HB2      SER  20  12.143  -2.580   3.771
  123    HB3  SER  20           HB1      SER  20  12.447  -1.152   4.754
  124    HG   SER  20           HG       SER  20   9.988  -2.576   4.605
  125    H    CYS  21           HN       CYS  21   8.971  -0.292   4.154
  126    HA   CYS  21           HA       CYS  21   9.088   2.572   4.077
  127    HB2  CYS  21           HB2      CYS  21   7.027   0.985   3.960
  128    HB3  CYS  21           HB1      CYS  21   7.163   0.937   5.716
  129    H    LYS  22           HN       LYS  22   9.566   3.958   5.771
  130    HA   LYS  22           HA       LYS  22  10.790   2.647   8.101
  131    HB2  LYS  22           HB2      LYS  22  11.321   5.360   6.876
  132    HB3  LYS  22           HB1      LYS  22  12.115   4.737   8.319
  133    HG2  LYS  22           HG2      LYS  22  13.128   2.960   7.063
  134    HG3  LYS  22           HG1      LYS  22  12.221   3.410   5.618
  135    HD2  LYS  22           HD2      LYS  22  13.397   5.545   5.540
  136    HD3  LYS  22           HD1      LYS  22  14.285   5.118   7.005
  137    HE2  LYS  22           HE2      LYS  22  15.627   4.734   4.992
  138    HE3  LYS  22           HE1      LYS  22  15.310   3.234   5.864
  139    HZ1  LYS  22           HZ1      LYS  22  15.041   2.993   3.460
  140    HZ2  LYS  22           HZ2      LYS  22  13.819   4.160   3.466
  141    HZ3  LYS  22           HZ3      LYS  22  13.590   2.691   4.276
  142    H    LYS  23           HN       LYS  23   7.996   3.102   7.904
  143    HA   LYS  23           HA       LYS  23   7.596   5.111  10.014
  144    HB2  LYS  23           HB2      LYS  23   6.488   5.542   7.766
  145    HB3  LYS  23           HB1      LYS  23   5.509   4.111   8.064
  146    HG2  LYS  23           HG2      LYS  23   4.515   5.136  10.004
  147    HG3  LYS  23           HG1      LYS  23   5.581   6.534   9.852
  148    HD2  LYS  23           HD2      LYS  23   4.562   6.989   7.624
  149    HD3  LYS  23           HD1      LYS  23   3.426   5.672   7.919
  150    HE2  LYS  23           HE2      LYS  23   2.499   6.822   9.812
  151    HE3  LYS  23           HE1      LYS  23   3.734   8.076   9.713
  152    HZ1  LYS  23           HZ1      LYS  23   1.628   7.528   7.699
  153    HZ2  LYS  23           HZ2      LYS  23   2.846   8.695   7.533
  154    HZ3  LYS  23           HZ3      LYS  23   1.680   8.846   8.756
  155    HA   PRO  24           HA       PRO  24   6.643   1.659  12.632
  156    HB2  PRO  24           HB2      PRO  24   5.036   2.981  14.439
  157    HB3  PRO  24           HB1      PRO  24   6.801   2.981  14.483
  158    HG2  PRO  24           HG2      PRO  24   4.927   5.032  13.387
  159    HG3  PRO  24           HG1      PRO  24   6.422   5.261  14.313
  160    HD2  PRO  24           HD2      PRO  24   6.357   5.604  11.646
  161    HD3  PRO  24           HD1      PRO  24   7.777   4.901  12.454
  162    H    GLY  25           HN       GLY  25   5.139   0.099  12.614
  163    HA2  GLY  25           HA2      GLY  25   2.940  -0.764  12.611
  164    HA3  GLY  25           HA1      GLY  25   2.359   0.789  12.019
  165    H    CYS  26           HN       CYS  26   4.988   0.188  10.184
  166    HA   CYS  26           HA       CYS  26   3.351  -1.136   8.123
  167    HB2  CYS  26           HB2      CYS  26   4.152   1.364   7.949
  168    HB3  CYS  26           HB1      CYS  26   5.680   0.627   7.472
  169    HA   PRO  27           HA       PRO  27   6.861  -4.005   8.344
  170    HB2  PRO  27           HB2      PRO  27   5.465  -6.251   8.106
  171    HB3  PRO  27           HB1      PRO  27   5.351  -5.300   9.596
  172    HG2  PRO  27           HG2      PRO  27   3.431  -5.488   7.309
  173    HG3  PRO  27           HG1      PRO  27   3.097  -5.391   9.052
  174    HD2  PRO  27           HD2      PRO  27   3.054  -3.241   7.238
  175    HD3  PRO  27           HD1      PRO  27   3.091  -3.118   9.011
  176    H    LYS  28           HN       LYS  28   5.255  -2.743   5.874
  177    HA   LYS  28           HA       LYS  28   5.537  -4.927   3.967
  178    HB2  LYS  28           HB2      LYS  28   3.875  -2.530   4.171
  179    HB3  LYS  28           HB1      LYS  28   4.556  -2.747   2.555
  180    HG2  LYS  28           HG2      LYS  28   2.326  -3.781   2.815
  181    HG3  LYS  28           HG1      LYS  28   3.579  -4.943   2.380
  182    HD2  LYS  28           HD2      LYS  28   3.723  -5.689   4.695
  183    HD3  LYS  28           HD1      LYS  28   2.530  -4.479   5.176
  184    HE2  LYS  28           HE2      LYS  28   0.833  -5.560   3.861
  185    HE3  LYS  28           HE1      LYS  28   2.010  -6.687   3.189
  186    HZ1  LYS  28           HZ1      LYS  28   2.372  -7.519   5.481
  187    HZ2  LYS  28           HZ2      LYS  28   0.800  -7.783   4.909
  188    HZ3  LYS  28           HZ3      LYS  28   1.094  -6.535   6.008
  189    H    VAL  29           HN       VAL  29   6.494  -4.608   1.888
  190    HA   VAL  29           HA       VAL  29   8.538  -2.527   1.718
  191    HB   VAL  29           HB       VAL  29   9.440  -4.711   2.731
  192   HG11  VAL  29          HG11      VAL  29   9.164  -5.597  -0.123
  193   HG12  VAL  29          HG12      VAL  29   8.331  -6.275   1.274
  194   HG13  VAL  29          HG13      VAL  29  10.082  -6.433   1.127
  195   HG21  VAL  29          HG21      VAL  29  10.986  -3.100   2.056
  196   HG22  VAL  29          HG22      VAL  29  10.660  -3.380   0.350
  197   HG23  VAL  29          HG23      VAL  29  11.511  -4.602   1.297
  198    H    TYR  30           HN       TYR  30   9.356  -2.291  -0.518
  199    HA   TYR  30           HA       TYR  30   7.586  -3.363  -2.596
  200    HB2  TYR  30           HB2      TYR  30   7.939  -0.386  -2.178
  201    HB3  TYR  30           HB1      TYR  30   6.922  -1.167  -3.383
  202    HD1  TYR  30           HD1      TYR  30   4.751  -2.074  -2.768
  203    HD2  TYR  30           HD2      TYR  30   7.238  -0.232   0.150
  204    HE1  TYR  30           HE1      TYR  30   2.842  -1.942  -1.227
  205    HE2  TYR  30           HE2      TYR  30   5.338  -0.109   1.700
  206    HH   TYR  30           HH       TYR  30   2.811  -0.056   1.521
  207    H    HIS  31           HN       HIS  31   8.336  -2.610  -4.796
  208    HA   HIS  31           HA       HIS  31  11.245  -2.334  -4.884
  209    HB2  HIS  31           HB2      HIS  31   9.312  -2.486  -7.220
  210    HB3  HIS  31           HB1      HIS  31  11.065  -2.637  -7.296
  211    HD2  HIS  31           HD2      HIS  31  11.881  -5.012  -5.611
  212    HE1  HIS  31           HE1      HIS  31   8.430  -7.044  -7.000
  213    HE2  HIS  31           HE2      HIS  31  10.805  -7.325  -6.129
  214    H    ALA  32           HN       ALA  32  12.258  -0.506  -5.616
  215    HA   ALA  32           HA       ALA  32  10.907   1.954  -5.390
  216    HB1  ALA  32           HB1      ALA  32  13.282   1.724  -4.919
  217    HB2  ALA  32           HB2      ALA  32  13.008   2.951  -6.155
  218    HB3  ALA  32           HB3      ALA  32  13.592   1.352  -6.614
  219    H    ASP  33           HN       ASP  33  11.610  -0.160  -8.045
  220    HA   ASP  33           HA       ASP  33  11.217   1.670 -10.161
  221    HB2  ASP  33           HB2      ASP  33  12.393  -0.473 -10.448
  222    HB3  ASP  33           HB1      ASP  33  10.882  -1.334 -10.179
  223    H    CYS  34           HN       CYS  34   8.973  -0.655  -8.625
  224    HA   CYS  34           HA       CYS  34   6.841  -0.017 -10.416
  225    HB2  CYS  34           HB2      CYS  34   5.455  -1.254  -8.601
  226    HB3  CYS  34           HB1      CYS  34   6.672  -2.172  -9.481
  227    H    LEU  35           HN       LEU  35   8.052   1.371  -7.528
  228    HA   LEU  35           HA       LEU  35   5.643   2.855  -6.931
  229    HB2  LEU  35           HB2      LEU  35   8.431   3.069  -5.818
  230    HB3  LEU  35           HB1      LEU  35   7.029   3.913  -5.195
  231    HG   LEU  35           HG       LEU  35   7.356   0.916  -5.226
  232   HD11  LEU  35          HD11      LEU  35   8.937   1.742  -3.706
  233   HD12  LEU  35          HD12      LEU  35   7.529   1.328  -2.725
  234   HD13  LEU  35          HD13      LEU  35   7.849   3.008  -3.141
  235   HD21  LEU  35          HD21      LEU  35   5.304   2.687  -3.907
  236   HD22  LEU  35          HD22      LEU  35   5.433   0.942  -3.711
  237   HD23  LEU  35          HD23      LEU  35   5.019   1.625  -5.282
  238    H    ASN  36           HN       ASN  36   8.019   3.146  -9.195
  239    HA   ASN  36           HA       ASN  36   8.693   4.766 -10.624
  240    HB2  ASN  36           HB2      ASN  36   6.233   5.274 -10.705
  241    HB3  ASN  36           HB1      ASN  36   6.491   6.467  -9.440
  242   HD21  ASN  36          HD21      ASN  36   8.651   5.807 -12.153
  243   HD22  ASN  36          HD22      ASN  36   8.467   7.356 -12.897
  244    H    LEU  37           HN       LEU  37   9.950   4.503  -8.107
  245    HA   LEU  37           HA       LEU  37  10.473   7.170  -7.122
  246    HB2  LEU  37           HB2      LEU  37  11.608   4.481  -6.397
  247    HB3  LEU  37           HB1      LEU  37  12.155   5.976  -5.667
  248    HG   LEU  37           HG       LEU  37   9.385   4.789  -5.464
  249   HD11  LEU  37          HD11      LEU  37  11.482   5.248  -3.350
  250   HD12  LEU  37          HD12      LEU  37  11.146   3.695  -4.109
  251   HD13  LEU  37          HD13      LEU  37   9.907   4.484  -3.133
  252   HD21  LEU  37          HD21      LEU  37   9.235   7.206  -5.547
  253   HD22  LEU  37          HD22      LEU  37  10.488   7.347  -4.314
  254   HD23  LEU  37          HD23      LEU  37   8.927   6.632  -3.910
  255    H    THR  38           HN       THR  38  11.190   7.843  -9.329
  256    HA   THR  38           HA       THR  38  13.721   7.063 -10.318
  257    HB   THR  38           HB       THR  38  12.361   9.754 -10.607
  258    HG1  THR  38           HG1      THR  38  12.125   7.350 -12.135
  259   HG21  THR  38          HG21      THR  38  13.610   9.896 -12.707
  260   HG22  THR  38          HG22      THR  38  14.377   8.346 -12.362
  261   HG23  THR  38          HG23      THR  38  14.701   9.739 -11.331
  262    H    LYS  39           HN       LYS  39  12.650   9.566  -8.076
  263    HA   LYS  39           HA       LYS  39  15.362  10.334  -7.408
  264    HB2  LYS  39           HB2      LYS  39  13.595  12.034  -7.417
  265    HB3  LYS  39           HB1      LYS  39  12.690  11.118  -6.221
  266    HG2  LYS  39           HG2      LYS  39  14.706  11.414  -4.697
  267    HG3  LYS  39           HG1      LYS  39  15.270  12.610  -5.866
  268    HD2  LYS  39           HD2      LYS  39  12.638  12.681  -4.387
  269    HD3  LYS  39           HD1      LYS  39  14.052  13.669  -4.026
  270    HE2  LYS  39           HE2      LYS  39  12.558  13.708  -6.644
  271    HE3  LYS  39           HE1      LYS  39  12.298  14.850  -5.331
  272    HZ1  LYS  39           HZ1      LYS  39  14.557  15.606  -5.553
  273    HZ2  LYS  39           HZ2      LYS  39  13.785  15.710  -7.052
  274    HZ3  LYS  39           HZ3      LYS  39  14.875  14.457  -6.751
  275    H    ARG  40           HN       ARG  40  16.511   9.448  -5.755
  276    HA   ARG  40           HA       ARG  40  15.372   7.223  -4.325
  277    HB2  ARG  40           HB2      ARG  40  17.661   7.021  -5.025
  278    HB3  ARG  40           HB1      ARG  40  18.097   8.520  -4.217
  279    HG2  ARG  40           HG2      ARG  40  17.741   7.519  -2.057
  280    HG3  ARG  40           HG1      ARG  40  17.136   6.040  -2.804
  281    HD2  ARG  40           HD2      ARG  40  19.911   7.114  -3.261
  282    HD3  ARG  40           HD1      ARG  40  19.519   5.951  -1.996
  283    HE   ARG  40           HE       ARG  40  18.537   4.877  -4.335
  284   HH11  ARG  40          HH11      ARG  40  21.665   5.888  -3.147
  285   HH12  ARG  40          HH12      ARG  40  22.542   4.710  -4.072
  286   HH21  ARG  40          HH21      ARG  40  19.687   3.309  -5.550
  287   HH22  ARG  40          HH22      ARG  40  21.417   3.245  -5.437
  288    HA   PRO  41           HA       PRO  41  13.783   9.884  -1.048
  289    HB2  PRO  41           HB2      PRO  41  13.411   7.253   0.253
  290    HB3  PRO  41           HB1      PRO  41  12.247   8.552  -0.014
  291    HG2  PRO  41           HG2      PRO  41  12.179   6.292  -1.448
  292    HG3  PRO  41           HG1      PRO  41  11.761   7.866  -2.155
  293    HD2  PRO  41           HD2      PRO  41  14.248   6.242  -2.490
  294    HD3  PRO  41           HD1      PRO  41  13.419   7.300  -3.653
  295    H    ALA  42           HN       ALA  42  14.889  10.784   0.561
  296    HA   ALA  42           HA       ALA  42  17.101   9.262   1.756
  297    HB1  ALA  42           HB1      ALA  42  18.174  11.411   2.190
  298    HB2  ALA  42           HB2      ALA  42  16.798  12.249   1.474
  299    HB3  ALA  42           HB3      ALA  42  17.818  11.216   0.475
  300    H    GLY  43           HN       GLY  43  17.020   8.843   3.886
  301    HA2  GLY  43           HA2      GLY  43  16.498   9.132   6.133
  302    HA3  GLY  43           HA1      GLY  43  15.609  10.588   5.708
  303    H    LYS  44           HN       LYS  44  13.762  10.187   6.816
  304    HA   LYS  44           HA       LYS  44  12.440   7.684   6.855
  305    HB2  LYS  44           HB2      LYS  44  11.548  10.475   7.547
  306    HB3  LYS  44           HB1      LYS  44  10.470   9.094   7.664
  307    HG2  LYS  44           HG2      LYS  44  13.089   9.354   9.118
  308    HG3  LYS  44           HG1      LYS  44  11.506   9.710   9.813
  309    HD2  LYS  44           HD2      LYS  44  10.855   7.338   9.199
  310    HD3  LYS  44           HD1      LYS  44  12.564   7.055   8.866
  311    HE2  LYS  44           HE2      LYS  44  13.132   7.611  11.156
  312    HE3  LYS  44           HE1      LYS  44  11.450   8.014  11.500
  313    HZ1  LYS  44           HZ1      LYS  44  11.907   5.832  12.311
  314    HZ2  LYS  44           HZ2      LYS  44  12.535   5.337  10.822
  315    HZ3  LYS  44           HZ3      LYS  44  10.887   5.683  10.969
  316    H    TRP  45           HN       TRP  45  11.549   6.759   5.173
  317    HA   TRP  45           HA       TRP  45  10.082   8.423   3.262
  318    HB2  TRP  45           HB2      TRP  45  11.840   7.276   2.111
  319    HB3  TRP  45           HB1      TRP  45  11.450   5.756   2.908
  320    HD1  TRP  45           HD1      TRP  45   9.838   8.196   0.360
  321    HE1  TRP  45           HE1      TRP  45   8.372   6.821  -1.238
  322    HE3  TRP  45           HE3      TRP  45  10.398   3.596   2.514
  323    HZ2  TRP  45           HZ2      TRP  45   7.566   4.135  -1.552
  324    HZ3  TRP  45           HZ3      TRP  45   9.248   1.670   1.496
  325    HH2  TRP  45           HH2      TRP  45   7.859   1.938  -0.492
  326    H    GLU  46           HN       GLU  46   7.963   8.172   3.109
  327    HA   GLU  46           HA       GLU  46   6.712   5.925   4.527
  328    HB2  GLU  46           HB2      GLU  46   5.592   8.607   3.679
  329    HB3  GLU  46           HB1      GLU  46   4.663   7.343   4.474
  330    HG2  GLU  46           HG2      GLU  46   6.017   7.520   6.450
  331    HG3  GLU  46           HG1      GLU  46   7.091   8.668   5.655
  332    H    CYS  47           HN       CYS  47   5.719   4.392   3.358
  333    HA   CYS  47           HA       CYS  47   5.856   4.372   0.538
  334    HB2  CYS  47           HB2      CYS  47   4.763   2.247   0.632
  335    HB3  CYS  47           HB1      CYS  47   5.824   2.336   2.031
  336    HA   PRO  48           HA       PRO  48   2.183   6.494  -0.686
  337    HB2  PRO  48           HB2      PRO  48   1.585   5.174  -2.995
  338    HB3  PRO  48           HB1      PRO  48   2.909   6.340  -2.856
  339    HG2  PRO  48           HG2      PRO  48   2.993   3.350  -2.753
  340    HG3  PRO  48           HG1      PRO  48   4.080   4.474  -3.590
  341    HD2  PRO  48           HD2      PRO  48   4.729   3.332  -1.231
  342    HD3  PRO  48           HD1      PRO  48   5.252   4.976  -1.655
  343    H    TRP  49           HN       TRP  49   2.166   3.331   0.352
  344    HA   TRP  49           HA       TRP  49  -0.633   2.754  -0.001
  345    HB2  TRP  49           HB2      TRP  49   1.241   1.041   0.321
  346    HB3  TRP  49           HB1      TRP  49   1.274   1.532   2.013
  347    HD1  TRP  49           HD1      TRP  49  -1.841   0.747  -0.179
  348    HE1  TRP  49           HE1      TRP  49  -3.156  -1.149   0.969
  349    HE3  TRP  49           HE3      TRP  49   1.314  -0.179   3.752
  350    HZ2  TRP  49           HZ2      TRP  49  -2.904  -2.795   3.243
  351    HZ3  TRP  49           HZ3      TRP  49   0.696  -1.927   5.368
  352    HH2  TRP  49           HH2      TRP  49  -1.372  -3.212   5.113
  353    H    HIS  50           HN       HIS  50   0.972   5.011   1.730
  354    HA   HIS  50           HA       HIS  50  -1.100   5.136   3.812
  355    HB2  HIS  50           HB2      HIS  50   1.492   6.696   3.628
  356    HB3  HIS  50           HB1      HIS  50   0.346   6.726   4.971
  357    HD1  HIS  50           HD1      HIS  50   0.100   3.442   4.905
  358    HD2  HIS  50           HD2      HIS  50   3.509   5.790   5.261
  359    HE1  HIS  50           HE1      HIS  50   1.844   2.005   6.058
  360    H    GLN  51           HN       GLN  51  -0.748   6.046   0.783
  361    HA   GLN  51           HA       GLN  51  -1.795   8.766   1.196
  362    HB2  GLN  51           HB2      GLN  51  -0.173   7.818  -1.175
  363    HB3  GLN  51           HB1      GLN  51  -0.790   9.442  -0.912
  364    HG2  GLN  51           HG2      GLN  51   1.241   8.044   0.798
  365    HG3  GLN  51           HG1      GLN  51   1.589   9.274  -0.412
  366   HE21  GLN  51          HE21      GLN  51   2.186   9.300   2.415
  367   HE22  GLN  51          HE22      GLN  51   1.378  10.672   3.086
  368    H    CYS  52           HN       CYS  52  -3.563   9.356   0.083
  369    HA   CYS  52           HA       CYS  52  -5.320   7.315  -0.783
  370    HB2  CYS  52           HB2      CYS  52  -6.098   9.396   0.249
  371    HB3  CYS  52           HB1      CYS  52  -5.485  10.314  -1.118
  372    H    ASP  53           HN       ASP  53  -5.398   6.344  -2.659
  373    HA   ASP  53           HA       ASP  53  -3.703   6.893  -4.817
  374    HB2  ASP  53           HB2      ASP  53  -4.810   4.692  -4.308
  375    HB3  ASP  53           HB1      ASP  53  -6.314   5.356  -4.934
  376    H    VAL  54           HN       VAL  54  -6.744   8.271  -3.976
  377    HA   VAL  54           HA       VAL  54  -7.334   9.104  -6.689
  378    HB   VAL  54           HB       VAL  54  -8.829   9.700  -4.136
  379   HG11  VAL  54          HG11      VAL  54  -9.587  10.156  -7.017
  380   HG12  VAL  54          HG12      VAL  54  -9.254  11.397  -5.806
  381   HG13  VAL  54          HG13      VAL  54 -10.666  10.352  -5.635
  382   HG21  VAL  54          HG21      VAL  54 -10.445   8.046  -4.983
  383   HG22  VAL  54          HG22      VAL  54  -8.867   7.333  -4.648
  384   HG23  VAL  54          HG23      VAL  54  -9.344   7.677  -6.310
  385    H    CYS  55           HN       CYS  55  -6.621  10.751  -3.568
  386    HA   CYS  55           HA       CYS  55  -6.244  13.183  -5.179
  387    HB2  CYS  55           HB2      CYS  55  -6.882  14.508  -3.242
  388    HB3  CYS  55           HB1      CYS  55  -8.136  13.349  -3.662
  389    H    GLY  56           HN       GLY  56  -4.490  10.959  -3.374
  390    HA2  GLY  56           HA2      GLY  56  -2.201  10.964  -3.039
  391    HA3  GLY  56           HA1      GLY  56  -2.159  12.634  -3.588
  392    H    LYS  57           HN       LYS  57  -4.466  12.594  -1.250
  393    HA   LYS  57           HA       LYS  57  -2.674  13.713   0.715
  394    HB2  LYS  57           HB2      LYS  57  -5.649  13.218   0.895
  395    HB3  LYS  57           HB1      LYS  57  -4.694  14.192   2.004
  396    HG2  LYS  57           HG2      LYS  57  -4.191  15.764   0.227
  397    HG3  LYS  57           HG1      LYS  57  -5.101  14.779  -0.920
  398    HD2  LYS  57           HD2      LYS  57  -7.128  15.119   0.454
  399    HD3  LYS  57           HD1      LYS  57  -6.200  16.179   1.517
  400    HE2  LYS  57           HE2      LYS  57  -6.658  16.619  -1.432
  401    HE3  LYS  57           HE1      LYS  57  -7.522  17.438  -0.133
  402    HZ1  LYS  57           HZ1      LYS  57  -5.409  18.368   0.613
  403    HZ2  LYS  57           HZ2      LYS  57  -5.750  18.816  -0.979
  404    HZ3  LYS  57           HZ3      LYS  57  -4.606  17.613  -0.668
  405    H    GLU  58           HN       GLU  58  -3.357  13.006   3.128
  406    HA   GLU  58           HA       GLU  58  -2.216  10.455   3.426
  407    HB2  GLU  58           HB2      GLU  58  -2.065  12.265   5.124
  408    HB3  GLU  58           HB1      GLU  58  -3.765  12.011   5.501
  409    HG2  GLU  58           HG2      GLU  58  -3.274   9.718   6.181
  410    HG3  GLU  58           HG1      GLU  58  -1.572   9.974   5.804
  411    H    ALA  59           HN       ALA  59  -3.057   8.494   3.546
  412    HA   ALA  59           HA       ALA  59  -5.873   8.144   3.026
  413    HB1  ALA  59           HB1      ALA  59  -4.275   6.793   1.820
  414    HB2  ALA  59           HB2      ALA  59  -5.286   5.766   2.838
  415    HB3  ALA  59           HB3      ALA  59  -3.637   6.149   3.336
  416    H    ALA  60           HN       ALA  60  -7.323   7.011   4.304
  417    HA   ALA  60           HA       ALA  60  -6.550   6.716   7.130
  418    HB1  ALA  60           HB1      ALA  60  -9.282   7.200   5.947
  419    HB2  ALA  60           HB2      ALA  60  -8.274   8.401   6.754
  420    HB3  ALA  60           HB3      ALA  60  -8.915   7.033   7.664
  421    H    SER  61           HN       SER  61  -8.031   5.193   4.355
  422    HA   SER  61           HA       SER  61  -8.110   2.667   5.857
  423    HB2  SER  61           HB2      SER  61  -9.807   1.938   4.174
  424    HB3  SER  61           HB1      SER  61 -10.346   3.297   5.157
  425    HG   SER  61           HG       SER  61 -10.549   3.310   2.695
  426    H    PHE  62           HN       PHE  62  -7.330   0.798   4.770
  427    HA   PHE  62           HA       PHE  62  -5.491   1.436   2.560
  428    HB2  PHE  62           HB2      PHE  62  -4.872  -0.563   4.739
  429    HB3  PHE  62           HB1      PHE  62  -3.752   0.195   3.600
  430    HD1  PHE  62           HD1      PHE  62  -5.204   0.334   6.851
  431    HD2  PHE  62           HD2      PHE  62  -3.363   2.720   3.847
  432    HE1  PHE  62           HE1      PHE  62  -4.731   2.071   8.526
  433    HE2  PHE  62           HE2      PHE  62  -2.888   4.458   5.518
  434    HZ   PHE  62           HZ       PHE  62  -3.568   4.136   7.860
  435    H    CYS  63           HN       CYS  63  -6.072   0.297   0.789
  436    HA   CYS  63           HA       CYS  63  -7.664  -2.047   0.904
  437    HB2  CYS  63           HB2      CYS  63  -7.462  -0.501  -1.104
  438    HB3  CYS  63           HB1      CYS  63  -5.896  -1.246  -1.415
  439    H    GLU  64           HN       GLU  64  -7.098  -4.129   1.116
  440    HA   GLU  64           HA       GLU  64  -4.343  -4.586   1.912
  441    HB2  GLU  64           HB2      GLU  64  -6.833  -6.281   2.147
  442    HB3  GLU  64           HB1      GLU  64  -5.246  -6.808   2.692
  443    HG2  GLU  64           HG2      GLU  64  -5.161  -4.960   4.280
  444    HG3  GLU  64           HG1      GLU  64  -6.726  -4.384   3.708
  445    H    MET  65           HN       MET  65  -5.547  -4.528  -1.009
  446    HA   MET  65           HA       MET  65  -3.994  -6.894  -1.816
  447    HB2  MET  65           HB2      MET  65  -6.545  -5.940  -3.129
  448    HB3  MET  65           HB1      MET  65  -5.526  -7.265  -3.697
  449    HG2  MET  65           HG2      MET  65  -5.982  -8.509  -1.650
  450    HG3  MET  65           HG1      MET  65  -6.984  -7.185  -1.060
  451    HE1  MET  65           HE1      MET  65  -6.561  -9.961  -3.780
  452    HE2  MET  65           HE2      MET  65  -6.793  -8.529  -4.785
  453    HE3  MET  65           HE3      MET  65  -8.034  -9.781  -4.731
  454    H    CYS  66           HN       CYS  66  -3.980  -3.632  -1.873
  455    HA   CYS  66           HA       CYS  66  -2.100  -3.553  -4.011
  456    HB2  CYS  66           HB2      CYS  66  -3.259  -2.135  -5.551
  457    HB3  CYS  66           HB1      CYS  66  -4.333  -3.487  -5.217
  458    HA   PRO  67           HA       PRO  67  -0.779  -0.012  -1.651
  459    HB2  PRO  67           HB2      PRO  67   0.228   1.255  -4.107
  460    HB3  PRO  67           HB1      PRO  67   1.129   0.638  -2.718
  461    HG2  PRO  67           HG2      PRO  67   1.208  -0.597  -5.092
  462    HG3  PRO  67           HG1      PRO  67   1.231  -1.504  -3.568
  463    HD2  PRO  67           HD2      PRO  67  -1.089  -0.989  -5.419
  464    HD3  PRO  67           HD1      PRO  67  -0.589  -2.512  -4.637
  465    H    SER  68           HN       SER  68  -3.364   0.126  -3.571
  466    HA   SER  68           HA       SER  68  -3.617   3.017  -3.694
  467    HB2  SER  68           HB2      SER  68  -5.524   0.819  -4.532
  468    HB3  SER  68           HB1      SER  68  -5.803   2.543  -4.768
  469    HG   SER  68           HG       SER  68  -4.112   2.636  -6.192
  470    H    SER  69           HN       SER  69  -3.605   3.495  -1.496
  471    HA   SER  69           HA       SER  69  -5.842   2.556   0.123
  472    HB2  SER  69           HB2      SER  69  -4.667   4.120   1.830
  473    HB3  SER  69           HB1      SER  69  -3.845   2.625   1.380
  474    HG   SER  69           HG       SER  69  -3.358   5.046  -0.005
  475    H    PHE  70           HN       PHE  70  -7.092   4.369   1.357
  476    HA   PHE  70           HA       PHE  70  -7.490   6.631  -0.486
  477    HB2  PHE  70           HB2      PHE  70  -9.721   4.938   0.659
  478    HB3  PHE  70           HB1      PHE  70  -9.913   6.354  -0.377
  479    HD1  PHE  70           HD1      PHE  70  -9.009   6.239  -2.737
  480    HD2  PHE  70           HD2      PHE  70  -9.437   2.818  -0.249
  481    HE1  PHE  70           HE1      PHE  70  -8.937   4.790  -4.725
  482    HE2  PHE  70           HE2      PHE  70  -9.365   1.361  -2.229
  483    HZ   PHE  70           HZ       PHE  70  -9.115   2.347  -4.473
  484    H    CYS  71           HN       CYS  71  -8.352   8.497   0.405
  485    HA   CYS  71           HA       CYS  71  -7.887   8.876   3.217
  486    HB2  CYS  71           HB2      CYS  71  -8.404  11.203   2.804
  487    HB3  CYS  71           HB1      CYS  71  -7.391  10.623   1.486
  488    H    LYS  72           HN       LYS  72  -9.737  10.302   4.351
  489    HA   LYS  72           HA       LYS  72 -11.823   8.504   4.863
  490    HB2  LYS  72           HB2      LYS  72 -11.627  11.450   5.478
  491    HB3  LYS  72           HB1      LYS  72 -12.854  10.374   6.137
  492    HG2  LYS  72           HG2      LYS  72 -11.105   9.028   7.190
  493    HG3  LYS  72           HG1      LYS  72  -9.883  10.118   6.539
  494    HD2  LYS  72           HD2      LYS  72 -10.880  11.968   7.812
  495    HD3  LYS  72           HD1      LYS  72 -12.060  10.842   8.490
  496    HE2  LYS  72           HE2      LYS  72 -10.242   9.540   9.478
  497    HE3  LYS  72           HE1      LYS  72  -9.069  10.666   8.803
  498    HZ1  LYS  72           HZ1      LYS  72 -10.019  12.418  10.153
  499    HZ2  LYS  72           HZ2      LYS  72  -9.526  11.132  11.128
  500    HZ3  LYS  72           HZ3      LYS  72 -11.168  11.351  10.787
  501    H    GLN  73           HN       GLN  73 -11.576  11.109   2.572
  502    HA   GLN  73           HA       GLN  73 -14.402  11.201   2.025
  503    HB2  GLN  73           HB2      GLN  73 -11.992  12.583   0.969
  504    HB3  GLN  73           HB1      GLN  73 -13.446  12.569  -0.020
  505    HG2  GLN  73           HG2      GLN  73 -13.336  13.535   2.832
  506    HG3  GLN  73           HG1      GLN  73 -13.215  14.577   1.414
  507   HE21  GLN  73          HE21      GLN  73 -15.309  12.516   3.289
  508   HE22  GLN  73          HE22      GLN  73 -16.793  13.057   2.591
  509    H    HIS  74           HN       HIS  74 -11.564   9.779   0.475
  510    HA   HIS  74           HA       HIS  74 -13.276   8.941  -1.749
  511    HB2  HIS  74           HB2      HIS  74 -10.260   8.985  -1.498
  512    HB3  HIS  74           HB1      HIS  74 -11.134   8.376  -2.909
  513    HD2  HIS  74           HD2      HIS  74 -13.309  10.766  -3.189
  514    HE1  HIS  74           HE1      HIS  74  -9.912  13.267  -3.383
  515    HE2  HIS  74           HE2      HIS  74 -12.432  13.164  -3.642
  516    H    ARG  75           HN       ARG  75 -12.858   7.649   1.061
  517    HA   ARG  75           HA       ARG  75 -12.201   4.959   0.138
  518    HB2  ARG  75           HB2      ARG  75 -12.270   4.288   2.465
  519    HB3  ARG  75           HB1      ARG  75 -11.228   5.685   2.263
  520    HG2  ARG  75           HG2      ARG  75 -13.062   7.120   3.079
  521    HG3  ARG  75           HG1      ARG  75 -14.026   5.670   3.366
  522    HD2  ARG  75           HD2      ARG  75 -12.317   4.846   4.911
  523    HD3  ARG  75           HD1      ARG  75 -11.351   6.289   4.623
  524    HE   ARG  75           HE       ARG  75 -13.901   7.074   5.480
  525   HH11  ARG  75          HH11      ARG  75 -11.073   5.438   6.725
  526   HH12  ARG  75          HH12      ARG  75 -11.330   5.955   8.358
  527   HH21  ARG  75          HH21      ARG  75 -14.254   7.753   7.637
  528   HH22  ARG  75          HH22      ARG  75 -13.131   7.279   8.876
  529    H    GLU  76           HN       GLU  76 -14.930   6.905   0.975
  530    HA   GLU  76           HA       GLU  76 -16.710   4.804   1.616
  531    HB2  GLU  76           HB2      GLU  76 -17.174   7.642   0.729
  532    HB3  GLU  76           HB1      GLU  76 -18.485   6.544   1.141
  533    HG2  GLU  76           HG2      GLU  76 -17.475   6.273   3.389
  534    HG3  GLU  76           HG1      GLU  76 -16.282   7.495   2.959
  535    H    GLY  77           HN       GLY  77 -17.648   3.378   0.336
  536    HA2  GLY  77           HA2      GLY  77 -18.680   2.484  -1.519
  537    HA3  GLY  77           HA1      GLY  77 -18.549   4.052  -2.303
  538    H    MET  78           HN       MET  78 -15.518   3.703  -1.488
  539    HA   MET  78           HA       MET  78 -14.852   2.482  -4.066
  540    HB2  MET  78           HB2      MET  78 -13.140   4.155  -2.205
  541    HB3  MET  78           HB1      MET  78 -12.645   3.557  -3.783
  542    HG2  MET  78           HG2      MET  78 -14.909   5.489  -3.277
  543    HG3  MET  78           HG1      MET  78 -13.299   5.920  -3.851
  544    HE1  MET  78           HE1      MET  78 -14.531   7.225  -5.878
  545    HE2  MET  78           HE2      MET  78 -16.095   6.690  -5.264
  546    HE3  MET  78           HE3      MET  78 -15.683   6.444  -6.960
  547    H    LEU  79           HN       LEU  79 -14.246   2.141  -0.623
  548    HA   LEU  79           HA       LEU  79 -12.760  -0.336  -1.196
  549    HB2  LEU  79           HB2      LEU  79 -11.583   1.555   0.038
  550    HB3  LEU  79           HB1      LEU  79 -12.701   1.268   1.359
  551    HG   LEU  79           HG       LEU  79 -11.817  -1.028   1.588
  552   HD11  LEU  79          HD11      LEU  79  -9.867  -0.144  -0.531
  553   HD12  LEU  79          HD12      LEU  79 -11.062  -1.429  -0.674
  554   HD13  LEU  79          HD13      LEU  79  -9.714  -1.603   0.445
  555   HD21  LEU  79          HD21      LEU  79  -9.812   1.216   1.713
  556   HD22  LEU  79          HD22      LEU  79  -9.598  -0.359   2.475
  557   HD23  LEU  79          HD23      LEU  79 -10.915   0.697   2.989
  558    H    PHE  80           HN       PHE  80 -13.439  -2.224  -0.224
  559    HA   PHE  80           HA       PHE  80 -15.530  -2.156   1.795
  560    HB2  PHE  80           HB2      PHE  80 -16.955  -3.747   0.500
  561    HB3  PHE  80           HB1      PHE  80 -16.843  -2.164  -0.253
  562    HD1  PHE  80           HD1      PHE  80 -15.761  -1.872  -2.388
  563    HD2  PHE  80           HD2      PHE  80 -15.841  -5.690  -0.494
  564    HE1  PHE  80           HE1      PHE  80 -15.032  -2.932  -4.477
  565    HE2  PHE  80           HE2      PHE  80 -15.114  -6.743  -2.591
  566    HZ   PHE  80           HZ       PHE  80 -14.706  -5.362  -4.585
  567    H    ILE  81           HN       ILE  81 -15.966  -4.413   2.611
  568    HA   ILE  81           HA       ILE  81 -13.445  -5.802   2.918
  569    HB   ILE  81           HB       ILE  81 -16.157  -6.259   4.150
  570   HG12  ILE  81          HG12      ILE  81 -14.812  -4.276   4.893
  571   HG13  ILE  81          HG11      ILE  81 -15.168  -5.428   6.171
  572   HG21  ILE  81          HG21      ILE  81 -15.088  -8.406   3.930
  573   HG22  ILE  81          HG22      ILE  81 -15.042  -7.896   5.618
  574   HG23  ILE  81          HG23      ILE  81 -13.596  -7.767   4.617
  575   HD11  ILE  81          HD11      ILE  81 -12.913  -6.359   5.931
  576   HD12  ILE  81          HD12      ILE  81 -12.904  -4.648   6.360
  577   HD13  ILE  81          HD13      ILE  81 -12.562  -5.144   4.703
  578    H    SER  82           HN       SER  82 -12.825  -7.492   1.769
  579    HA   SER  82           HA       SER  82 -14.519  -8.662  -0.216
  580    HB2  SER  82           HB2      SER  82 -12.103  -8.437  -0.600
  581    HB3  SER  82           HB1      SER  82 -11.778  -9.499   0.772
  582    HG   SER  82           HG       SER  82 -12.837 -10.114  -1.760
  583    H    LYS  83           HN       LYS  83 -15.874 -10.298   0.046
  584    HA   LYS  83           HA       LYS  83 -16.232 -11.461   2.632
  585    HB2  LYS  83           HB2      LYS  83 -17.526 -12.158  -0.004
  586    HB3  LYS  83           HB1      LYS  83 -18.075 -12.681   1.583
  587    HG2  LYS  83           HG2      LYS  83 -18.544 -10.384   2.205
  588    HG3  LYS  83           HG1      LYS  83 -17.937  -9.822   0.649
  589    HD2  LYS  83           HD2      LYS  83 -19.701 -11.193  -0.455
  590    HD3  LYS  83           HD1      LYS  83 -20.353 -11.553   1.144
  591    HE2  LYS  83           HE2      LYS  83 -20.693  -9.158   1.532
  592    HE3  LYS  83           HE1      LYS  83 -20.059  -8.810  -0.075
  593    HZ1  LYS  83           HZ1      LYS  83 -21.884 -10.125  -1.007
  594    HZ2  LYS  83           HZ2      LYS  83 -22.446  -8.803  -0.114
  595    HZ3  LYS  83           HZ3      LYS  83 -22.512 -10.359   0.547
  596    H    LEU  84           HN       LEU  84 -14.176 -12.148   0.123
  597    HA   LEU  84           HA       LEU  84 -14.179 -14.989   0.190
  598    HB2  LEU  84           HB2      LEU  84 -12.045 -13.069  -0.716
  599    HB3  LEU  84           HB1      LEU  84 -12.066 -14.789  -1.048
  600    HG   LEU  84           HG       LEU  84 -14.056 -12.764  -2.074
  601   HD11  LEU  84          HD11      LEU  84 -11.845 -14.282  -3.445
  602   HD12  LEU  84          HD12      LEU  84 -11.908 -12.544  -3.153
  603   HD13  LEU  84          HD13      LEU  84 -13.056 -13.296  -4.261
  604   HD21  LEU  84          HD21      LEU  84 -14.887 -14.635  -3.450
  605   HD22  LEU  84          HD22      LEU  84 -15.143 -14.891  -1.727
  606   HD23  LEU  84          HD23      LEU  84 -13.835 -15.732  -2.557
  607    H    ASP  85           HN       ASP  85 -12.185 -12.488   1.717
  608    HA   ASP  85           HA       ASP  85 -11.098 -14.553   3.505
  609    HB2  ASP  85           HB2      ASP  85  -9.565 -13.992   1.525
  610    HB3  ASP  85           HB1      ASP  85  -9.320 -12.439   2.311
  611    H    GLY  86           HN       GLY  86 -12.615 -11.609   3.298
  612    HA2  GLY  86           HA2      GLY  86 -13.169 -10.146   5.000
  613    HA3  GLY  86           HA1      GLY  86 -12.043 -10.984   6.052
  614    H    ARG  87           HN       ARG  87 -10.748 -10.017   3.056
  615    HA   ARG  87           HA       ARG  87  -9.118  -8.000   4.398
  616    HB2  ARG  87           HB2      ARG  87  -8.875  -9.203   1.628
  617    HB3  ARG  87           HB1      ARG  87  -7.705  -8.124   2.382
  618    HG2  ARG  87           HG2      ARG  87  -7.274  -9.793   4.106
  619    HG3  ARG  87           HG1      ARG  87  -8.453 -10.871   3.362
  620    HD2  ARG  87           HD2      ARG  87  -7.072 -10.795   1.275
  621    HD3  ARG  87           HD1      ARG  87  -5.850  -9.911   2.191
  622    HE   ARG  87           HE       ARG  87  -6.696 -12.447   3.331
  623   HH11  ARG  87          HH11      ARG  87  -4.324 -10.764   1.363
  624   HH12  ARG  87          HH12      ARG  87  -3.135 -12.017   1.507
  625   HH21  ARG  87          HH21      ARG  87  -5.124 -14.092   3.504
  626   HH22  ARG  87          HH22      ARG  87  -3.593 -13.909   2.709
  627    H    LEU  88           HN       LEU  88  -9.048  -5.852   3.771
  628    HA   LEU  88           HA       LEU  88 -11.312  -4.741   2.496
  629    HB2  LEU  88           HB2      LEU  88  -8.614  -3.618   3.198
  630    HB3  LEU  88           HB1      LEU  88  -9.829  -2.660   2.384
  631    HG   LEU  88           HG       LEU  88 -10.354  -3.990   5.028
  632   HD11  LEU  88          HD11      LEU  88  -9.409  -1.168   4.552
  633   HD12  LEU  88          HD12      LEU  88  -8.403  -2.468   5.184
  634   HD13  LEU  88          HD13      LEU  88  -9.798  -1.906   6.105
  635   HD21  LEU  88          HD21      LEU  88 -12.314  -3.284   3.745
  636   HD22  LEU  88          HD22      LEU  88 -11.636  -1.664   3.599
  637   HD23  LEU  88          HD23      LEU  88 -12.102  -2.286   5.181
  638    H    SER  89           HN       SER  89 -11.786  -4.591   0.432
  639    HA   SER  89           HA       SER  89  -9.603  -4.688  -1.533
  640    HB2  SER  89           HB2      SER  89 -10.756  -6.863  -1.474
  641    HB3  SER  89           HB1      SER  89 -12.302  -6.057  -1.734
  642    HG   SER  89           HG       SER  89 -11.656  -5.482  -3.778
  643    H    CYS  90           HN       CYS  90  -9.720  -3.202  -3.129
  644    HA   CYS  90           HA       CYS  90 -11.821  -1.217  -2.962
  645    HB2  CYS  90           HB2      CYS  90 -10.455   0.093  -4.516
  646    HB3  CYS  90           HB1      CYS  90  -9.468  -0.490  -3.177
  647    H    THR  91           HN       THR  91 -12.665  -0.366  -5.147
  648    HA   THR  91           HA       THR  91 -14.188  -2.447  -6.307
  649    HB   THR  91           HB       THR  91 -14.931  -0.620  -7.900
  650    HG1  THR  91           HG1      THR  91 -13.134   0.735  -7.852
  651   HG21  THR  91          HG21      THR  91 -15.102  -0.115  -4.929
  652   HG22  THR  91          HG22      THR  91 -16.191  -1.110  -5.894
  653   HG23  THR  91          HG23      THR  91 -16.136   0.633  -6.144
  654    H    GLU  92           HN       GLU  92 -11.043  -1.523  -6.943
  655    HA   GLU  92           HA       GLU  92 -11.211  -1.939  -9.826
  656    HB2  GLU  92           HB2      GLU  92  -8.787  -1.187  -8.194
  657    HB3  GLU  92           HB1      GLU  92  -8.980  -1.060  -9.937
  658    HG2  GLU  92           HG2      GLU  92 -10.374   0.567  -7.826
  659    HG3  GLU  92           HG1      GLU  92  -9.153   1.124  -8.965
  660    H    HIS  93           HN       HIS  93 -11.465  -4.113  -7.769
  661    HA   HIS  93           HA       HIS  93  -9.232  -5.780  -8.731
  662    HB2  HIS  93           HB2      HIS  93 -10.594  -5.846  -6.036
  663    HB3  HIS  93           HB1      HIS  93  -9.532  -7.123  -6.617
  664    HD1  HIS  93           HD1      HIS  93  -7.809  -4.396  -7.887
  665    HD2  HIS  93           HD2      HIS  93  -8.518  -5.743  -4.023
  666    HE1  HIS  93           HE1      HIS  93  -6.012  -3.367  -6.430
  667    H    ASP  94           HN       ASP  94 -11.359  -5.678 -10.313
  668    HA   ASP  94           HA       ASP  94 -13.264  -7.736  -9.675
  669    HB2  ASP  94           HB2      ASP  94 -13.895  -5.848 -11.127
  670    HB3  ASP  94           HB1      ASP  94 -12.713  -6.380 -12.319
  Start of MODEL    2
    1    H1   GLY   1           HT1      GLY   1  14.160  -6.242  16.697
    2    H2   GLY   1           HT2      GLY   1  12.560  -6.567  16.258
    3    H3   GLY   1           HT3      GLY   1  12.981  -5.043  16.852
    4    HA2  GLY   1           HA1      GLY   1  12.696  -4.939  14.475
    5    HA3  GLY   1           HA2      GLY   1  14.370  -4.641  14.919
    6    H    ALA   2           HN       ALA   2  14.413  -5.243  12.514
    7    HA   ALA   2           HA       ALA   2  15.362  -6.616  10.985
    8    HB1  ALA   2           HB1      ALA   2  16.838  -7.403  12.766
    9    HB2  ALA   2           HB2      ALA   2  16.438  -8.691  11.629
   10    HB3  ALA   2           HB3      ALA   2  15.649  -8.630  13.205
   11    H    MET   3           HN       MET   3  12.448  -6.934  12.211
   12    HA   MET   3           HA       MET   3  11.682  -8.885  10.173
   13    HB2  MET   3           HB2      MET   3  11.751  -9.989  12.463
   14    HB3  MET   3           HB1      MET   3  10.456  -8.902  12.939
   15    HG2  MET   3           HG2      MET   3   9.059  -9.850  11.116
   16    HG3  MET   3           HG1      MET   3  10.346 -11.008  10.789
   17    HE1  MET   3           HE1      MET   3   7.761 -10.874  14.599
   18    HE2  MET   3           HE2      MET   3   7.582  -9.809  13.205
   19    HE3  MET   3           HE3      MET   3   8.975  -9.639  14.272
   20    H    GLU   4           HN       GLU   4  11.709  -5.963  10.509
   21    HA   GLU   4           HA       GLU   4   8.858  -5.301  10.682
   22    HB2  GLU   4           HB2      GLU   4   9.563  -2.972  10.773
   23    HB3  GLU   4           HB1      GLU   4  10.436  -3.904  11.975
   24    HG2  GLU   4           HG2      GLU   4  11.567  -3.181   9.289
   25    HG3  GLU   4           HG1      GLU   4  11.781  -2.205  10.738
   26    H    ARG   5           HN       ARG   5  10.869  -6.401   8.452
   27    HA   ARG   5           HA       ARG   5   9.659  -4.842   6.271
   28    HB2  ARG   5           HB2      ARG   5  12.343  -6.232   6.248
   29    HB3  ARG   5           HB1      ARG   5  11.665  -5.253   4.955
   30    HG2  ARG   5           HG2      ARG   5  11.804  -3.276   6.371
   31    HG3  ARG   5           HG1      ARG   5  12.454  -4.260   7.685
   32    HD2  ARG   5           HD2      ARG   5  13.726  -3.808   4.989
   33    HD3  ARG   5           HD1      ARG   5  14.244  -3.100   6.518
   34    HE   ARG   5           HE       ARG   5  14.308  -5.796   6.959
   35   HH11  ARG   5          HH11      ARG   5  15.738  -3.672   4.580
   36   HH12  ARG   5          HH12      ARG   5  17.165  -4.634   4.382
   37   HH21  ARG   5          HH21      ARG   5  16.187  -7.078   6.701
   38   HH22  ARG   5          HH22      ARG   5  17.425  -6.574   5.593
   39    H    GLU   6           HN       GLU   6   8.168  -6.082   5.274
   40    HA   GLU   6           HA       GLU   6   8.204  -8.923   5.284
   41    HB2  GLU   6           HB2      GLU   6   6.212  -7.327   4.858
   42    HB3  GLU   6           HB1      GLU   6   6.811  -7.237   3.207
   43    HG2  GLU   6           HG2      GLU   6   6.549  -9.644   2.968
   44    HG3  GLU   6           HG1      GLU   6   5.979  -9.754   4.632
   45    H    ASP   7           HN       ASP   7   8.423 -10.227   3.198
   46    HA   ASP   7           HA       ASP   7  10.751  -9.162   1.746
   47    HB2  ASP   7           HB2      ASP   7  10.130 -11.989   2.582
   48    HB3  ASP   7           HB1      ASP   7  11.396 -11.584   1.426
   49    H    GLU   8           HN       GLU   8   8.139  -8.676   0.865
   50    HA   GLU   8           HA       GLU   8   8.435  -9.650  -1.826
   51    HB2  GLU   8           HB2      GLU   8   7.082 -11.418  -0.681
   52    HB3  GLU   8           HB1      GLU   8   5.868 -10.198  -0.324
   53    HG2  GLU   8           HG2      GLU   8   5.493  -9.850  -2.698
   54    HG3  GLU   8           HG1      GLU   8   6.742 -11.036  -3.081
   55    H    CYS   9           HN       CYS   9   7.366  -8.306  -3.331
   56    HA   CYS   9           HA       CYS   9   6.819  -5.665  -2.279
   57    HB2  CYS   9           HB2      CYS   9   8.152  -5.863  -4.312
   58    HB3  CYS   9           HB1      CYS   9   6.847  -6.748  -5.101
   59    H    PHE  10           HN       PHE  10   4.863  -5.009  -1.746
   60    HA   PHE  10           HA       PHE  10   2.585  -6.667  -2.134
   61    HB2  PHE  10           HB2      PHE  10   2.943  -5.248  -0.133
   62    HB3  PHE  10           HB1      PHE  10   2.737  -3.814  -1.129
   63    HD1  PHE  10           HD1      PHE  10   0.694  -2.800  -1.092
   64    HD2  PHE  10           HD2      PHE  10   0.922  -6.987  -0.352
   65    HE1  PHE  10           HE1      PHE  10  -1.725  -2.855  -0.660
   66    HE2  PHE  10           HE2      PHE  10  -1.496  -7.048   0.075
   67    HZ   PHE  10           HZ       PHE  10  -2.819  -4.977  -0.074
   68    H    SER  11           HN       SER  11   3.989  -4.114  -3.951
   69    HA   SER  11           HA       SER  11   1.615  -3.391  -5.383
   70    HB2  SER  11           HB2      SER  11   4.494  -2.905  -6.172
   71    HB3  SER  11           HB1      SER  11   3.072  -2.036  -6.749
   72    HG   SER  11           HG       SER  11   3.297  -0.770  -5.099
   73    H    CYS  12           HN       CYS  12   4.284  -5.644  -5.891
   74    HA   CYS  12           HA       CYS  12   3.249  -6.207  -8.588
   75    HB2  CYS  12           HB2      CYS  12   5.973  -6.824  -7.432
   76    HB3  CYS  12           HB1      CYS  12   5.464  -7.120  -9.094
   77    H    GLY  13           HN       GLY  13   3.829  -7.648  -5.478
   78    HA2  GLY  13           HA2      GLY  13   3.218  -9.753  -4.707
   79    HA3  GLY  13           HA1      GLY  13   2.677 -10.160  -6.335
   80    H    ASP  14           HN       ASP  14   5.745  -8.812  -6.288
   81    HA   ASP  14           HA       ASP  14   7.003 -11.462  -6.486
   82    HB2  ASP  14           HB2      ASP  14   7.343  -8.997  -8.177
   83    HB3  ASP  14           HB1      ASP  14   8.625 -10.200  -8.076
   84    H    ALA  15           HN       ALA  15   9.314 -11.489  -5.998
   85    HA   ALA  15           HA       ALA  15   9.988  -9.489  -3.950
   86    HB1  ALA  15           HB1      ALA  15  10.786 -12.389  -4.078
   87    HB2  ALA  15           HB2      ALA  15   9.601 -11.675  -2.983
   88    HB3  ALA  15           HB3      ALA  15  11.303 -11.233  -2.848
   89    H    GLY  16           HN       GLY  16  12.289  -9.033  -3.699
   90    HA2  GLY  16           HA2      GLY  16  14.387  -9.698  -5.259
   91    HA3  GLY  16           HA1      GLY  16  13.471  -8.604  -6.288
   92    H    GLN  17           HN       GLN  17  14.474  -6.696  -6.282
   93    HA   GLN  17           HA       GLN  17  15.960  -5.729  -4.020
   94    HB2  GLN  17           HB2      GLN  17  16.663  -5.263  -6.330
   95    HB3  GLN  17           HB1      GLN  17  15.179  -4.361  -6.599
   96    HG2  GLN  17           HG2      GLN  17  15.855  -2.726  -4.941
   97    HG3  GLN  17           HG1      GLN  17  17.328  -3.637  -4.625
   98   HE21  GLN  17          HE21      GLN  17  15.985  -3.293  -7.821
   99   HE22  GLN  17          HE22      GLN  17  17.233  -2.269  -8.446
  100    H    LEU  18           HN       LEU  18  14.623  -5.353  -2.292
  101    HA   LEU  18           HA       LEU  18  12.216  -3.748  -2.778
  102    HB2  LEU  18           HB2      LEU  18  12.871  -5.588  -0.482
  103    HB3  LEU  18           HB1      LEU  18  11.372  -4.697  -0.677
  104    HG   LEU  18           HG       LEU  18  12.309  -6.706  -2.702
  105   HD11  LEU  18          HD11      LEU  18  10.749  -8.286  -1.645
  106   HD12  LEU  18          HD12      LEU  18  10.536  -7.153  -0.315
  107   HD13  LEU  18          HD13      LEU  18  12.114  -7.883  -0.606
  108   HD21  LEU  18          HD21      LEU  18  10.640  -5.104  -3.453
  109   HD22  LEU  18          HD22      LEU  18   9.613  -5.526  -2.085
  110   HD23  LEU  18          HD23      LEU  18   9.955  -6.722  -3.330
  111    H    VAL  19           HN       VAL  19  11.768  -1.961  -1.634
  112    HA   VAL  19           HA       VAL  19  13.679  -1.072   0.421
  113    HB   VAL  19           HB       VAL  19  13.897   0.386  -1.507
  114   HG11  VAL  19          HG11      VAL  19  11.775  -0.013  -2.601
  115   HG12  VAL  19          HG12      VAL  19  12.014   1.717  -2.356
  116   HG13  VAL  19          HG13      VAL  19  10.921   0.819  -1.301
  117   HG21  VAL  19          HG21      VAL  19  12.329   1.719   0.696
  118   HG22  VAL  19          HG22      VAL  19  13.339   2.546  -0.489
  119   HG23  VAL  19          HG23      VAL  19  14.070   1.438   0.671
  120    H    SER  20           HN       SER  20  12.799  -0.579   2.378
  121    HA   SER  20           HA       SER  20   9.957  -1.228   2.607
  122    HB2  SER  20           HB2      SER  20  11.587  -2.610   3.866
  123    HB3  SER  20           HB1      SER  20  12.065  -1.178   4.774
  124    HG   SER  20           HG       SER  20   9.530  -2.458   4.750
  125    H    CYS  21           HN       CYS  21   8.653  -0.148   4.146
  126    HA   CYS  21           HA       CYS  21   8.705   2.672   3.900
  127    HB2  CYS  21           HB2      CYS  21   6.670   1.189   4.161
  128    HB3  CYS  21           HB1      CYS  21   7.104   1.018   5.863
  129    H    LYS  22           HN       LYS  22   9.241   4.253   5.404
  130    HA   LYS  22           HA       LYS  22  11.001   3.324   7.545
  131    HB2  LYS  22           HB2      LYS  22  10.593   6.102   6.427
  132    HB3  LYS  22           HB1      LYS  22  11.798   5.646   7.621
  133    HG2  LYS  22           HG2      LYS  22  11.661   4.653   4.780
  134    HG3  LYS  22           HG1      LYS  22  12.788   5.856   5.410
  135    HD2  LYS  22           HD2      LYS  22  13.702   4.159   6.945
  136    HD3  LYS  22           HD1      LYS  22  12.601   2.964   6.259
  137    HE2  LYS  22           HE2      LYS  22  14.754   4.451   4.760
  138    HE3  LYS  22           HE1      LYS  22  14.844   2.777   5.305
  139    HZ1  LYS  22           HZ1      LYS  22  14.252   2.819   3.009
  140    HZ2  LYS  22           HZ2      LYS  22  12.975   3.888   3.286
  141    HZ3  LYS  22           HZ3      LYS  22  12.895   2.305   3.881
  142    H    LYS  23           HN       LYS  23   8.161   3.069   7.803
  143    HA   LYS  23           HA       LYS  23   7.765   4.810  10.140
  144    HB2  LYS  23           HB2      LYS  23   6.082   5.247   8.398
  145    HB3  LYS  23           HB1      LYS  23   5.634   3.546   8.404
  146    HG2  LYS  23           HG2      LYS  23   4.847   3.718  10.682
  147    HG3  LYS  23           HG1      LYS  23   5.383   5.395  10.768
  148    HD2  LYS  23           HD2      LYS  23   3.254   4.308   8.924
  149    HD3  LYS  23           HD1      LYS  23   2.973   5.241  10.395
  150    HE2  LYS  23           HE2      LYS  23   4.200   7.129   9.418
  151    HE3  LYS  23           HE1      LYS  23   4.443   6.202   7.940
  152    HZ1  LYS  23           HZ1      LYS  23   2.003   6.102   7.714
  153    HZ2  LYS  23           HZ2      LYS  23   2.618   7.675   7.637
  154    HZ3  LYS  23           HZ3      LYS  23   1.854   7.133   9.047
  155    HA   PRO  24           HA       PRO  24   8.178   0.920  12.398
  156    HB2  PRO  24           HB2      PRO  24   6.986   2.654  14.502
  157    HB3  PRO  24           HB1      PRO  24   8.417   1.621  14.578
  158    HG2  PRO  24           HG2      PRO  24   8.660   4.264  14.417
  159    HG3  PRO  24           HG1      PRO  24   9.769   3.190  13.543
  160    HD2  PRO  24           HD2      PRO  24   7.461   4.789  12.500
  161    HD3  PRO  24           HD1      PRO  24   9.033   4.447  11.744
  162    H    GLY  25           HN       GLY  25   6.697  -0.672  12.490
  163    HA2  GLY  25           HA2      GLY  25   4.578  -1.562  13.141
  164    HA3  GLY  25           HA1      GLY  25   3.879   0.044  12.942
  165    H    CYS  26           HN       CYS  26   5.340   0.349  10.340
  166    HA   CYS  26           HA       CYS  26   3.390  -1.084   8.692
  167    HB2  CYS  26           HB2      CYS  26   3.787   1.416   8.489
  168    HB3  CYS  26           HB1      CYS  26   5.390   1.035   7.866
  169    HA   PRO  27           HA       PRO  27   6.972  -3.732   7.961
  170    HB2  PRO  27           HB2      PRO  27   5.664  -6.034   7.709
  171    HB3  PRO  27           HB1      PRO  27   5.727  -5.215   9.277
  172    HG2  PRO  27           HG2      PRO  27   3.505  -5.326   7.277
  173    HG3  PRO  27           HG1      PRO  27   3.422  -5.390   9.052
  174    HD2  PRO  27           HD2      PRO  27   3.006  -3.109   7.466
  175    HD3  PRO  27           HD1      PRO  27   3.323  -3.124   9.215
  176    H    LYS  28           HN       LYS  28   4.879  -2.492   5.774
  177    HA   LYS  28           HA       LYS  28   5.070  -4.528   3.745
  178    HB2  LYS  28           HB2      LYS  28   3.393  -2.275   4.225
  179    HB3  LYS  28           HB1      LYS  28   4.126  -2.072   2.638
  180    HG2  LYS  28           HG2      LYS  28   1.940  -3.250   2.605
  181    HG3  LYS  28           HG1      LYS  28   3.263  -4.176   1.891
  182    HD2  LYS  28           HD2      LYS  28   3.475  -5.486   3.941
  183    HD3  LYS  28           HD1      LYS  28   2.213  -4.517   4.705
  184    HE2  LYS  28           HE2      LYS  28   0.561  -5.359   3.221
  185    HE3  LYS  28           HE1      LYS  28   1.779  -6.116   2.194
  186    HZ1  LYS  28           HZ1      LYS  28   1.191  -6.888   5.003
  187    HZ2  LYS  28           HZ2      LYS  28   2.316  -7.638   3.979
  188    HZ3  LYS  28           HZ3      LYS  28   0.659  -7.720   3.629
  189    H    VAL  29           HN       VAL  29   6.074  -4.351   1.737
  190    HA   VAL  29           HA       VAL  29   8.245  -2.393   1.557
  191    HB   VAL  29           HB       VAL  29   8.935  -4.602   2.684
  192   HG11  VAL  29          HG11      VAL  29   7.802  -6.124   1.191
  193   HG12  VAL  29          HG12      VAL  29   9.542  -6.414   1.181
  194   HG13  VAL  29          HG13      VAL  29   8.783  -5.554  -0.157
  195   HG21  VAL  29          HG21      VAL  29  11.089  -4.656   1.403
  196   HG22  VAL  29          HG22      VAL  29  10.605  -3.094   2.055
  197   HG23  VAL  29          HG23      VAL  29  10.383  -3.436   0.342
  198    H    TYR  30           HN       TYR  30   9.168  -2.251  -0.611
  199    HA   TYR  30           HA       TYR  30   7.528  -3.322  -2.783
  200    HB2  TYR  30           HB2      TYR  30   7.911  -0.334  -2.505
  201    HB3  TYR  30           HB1      TYR  30   6.868  -1.185  -3.639
  202    HD1  TYR  30           HD1      TYR  30   4.707  -2.058  -2.926
  203    HD2  TYR  30           HD2      TYR  30   7.205   0.060  -0.212
  204    HE1  TYR  30           HE1      TYR  30   2.802  -1.774  -1.407
  205    HE2  TYR  30           HE2      TYR  30   5.303   0.342   1.321
  206    HH   TYR  30           HH       TYR  30   2.404  -1.361   1.003
  207    H    HIS  31           HN       HIS  31   8.465  -2.605  -4.929
  208    HA   HIS  31           HA       HIS  31  11.371  -2.445  -4.796
  209    HB2  HIS  31           HB2      HIS  31   9.615  -2.448  -7.269
  210    HB3  HIS  31           HB1      HIS  31  11.357  -2.706  -7.215
  211    HD2  HIS  31           HD2      HIS  31  11.903  -5.148  -5.533
  212    HE1  HIS  31           HE1      HIS  31   8.470  -6.954  -7.226
  213    HE2  HIS  31           HE2      HIS  31  10.772  -7.378  -6.241
  214    H    ALA  32           HN       ALA  32  12.522  -0.620  -5.239
  215    HA   ALA  32           HA       ALA  32  11.310   1.902  -5.235
  216    HB1  ALA  32           HB1      ALA  32  13.529   2.760  -5.841
  217    HB2  ALA  32           HB2      ALA  32  14.058   1.114  -6.186
  218    HB3  ALA  32           HB3      ALA  32  13.610   1.573  -4.542
  219    H    ASP  33           HN       ASP  33  12.125  -0.302  -7.780
  220    HA   ASP  33           HA       ASP  33  12.027   1.501  -9.948
  221    HB2  ASP  33           HB2      ASP  33  13.110  -0.685 -10.135
  222    HB3  ASP  33           HB1      ASP  33  11.553  -1.482  -9.940
  223    H    CYS  34           HN       CYS  34   9.531  -0.713  -8.646
  224    HA   CYS  34           HA       CYS  34   7.602   0.092 -10.589
  225    HB2  CYS  34           HB2      CYS  34   5.978  -1.087  -8.991
  226    HB3  CYS  34           HB1      CYS  34   7.271  -2.075  -9.665
  227    H    LEU  35           HN       LEU  35   8.679   1.354  -7.600
  228    HA   LEU  35           HA       LEU  35   6.376   3.057  -7.206
  229    HB2  LEU  35           HB2      LEU  35   9.085   3.004  -5.888
  230    HB3  LEU  35           HB1      LEU  35   7.770   4.059  -5.410
  231    HG   LEU  35           HG       LEU  35   7.624   1.049  -5.322
  232   HD11  LEU  35          HD11      LEU  35   7.763   1.538  -2.814
  233   HD12  LEU  35          HD12      LEU  35   8.462   3.082  -3.296
  234   HD13  LEU  35          HD13      LEU  35   9.255   1.576  -3.749
  235   HD21  LEU  35          HD21      LEU  35   5.871   3.223  -4.194
  236   HD22  LEU  35          HD22      LEU  35   5.708   1.505  -3.827
  237   HD23  LEU  35          HD23      LEU  35   5.446   2.084  -5.473
  238    H    ASN  36           HN       ASN  36   8.947   3.060  -9.272
  239    HA   ASN  36           HA       ASN  36   9.966   4.557 -10.617
  240    HB2  ASN  36           HB2      ASN  36   7.472   6.103  -9.944
  241    HB3  ASN  36           HB1      ASN  36   8.678   6.702 -11.076
  242   HD21  ASN  36          HD21      ASN  36   5.856   5.882 -11.428
  243   HD22  ASN  36          HD22      ASN  36   5.882   4.699 -12.688
  244    H    LEU  37           HN       LEU  37  10.844   4.464  -7.958
  245    HA   LEU  37           HA       LEU  37  11.237   7.161  -7.029
  246    HB2  LEU  37           HB2      LEU  37  12.321   4.515  -6.095
  247    HB3  LEU  37           HB1      LEU  37  12.758   6.040  -5.354
  248    HG   LEU  37           HG       LEU  37   9.992   4.831  -5.444
  249   HD11  LEU  37          HD11      LEU  37  11.859   5.317  -3.130
  250   HD12  LEU  37          HD12      LEU  37  11.551   3.750  -3.874
  251   HD13  LEU  37          HD13      LEU  37  10.249   4.606  -3.047
  252   HD21  LEU  37          HD21      LEU  37   9.358   6.704  -3.987
  253   HD22  LEU  37          HD22      LEU  37   9.848   7.246  -5.591
  254   HD23  LEU  37          HD23      LEU  37  10.954   7.415  -4.226
  255    H    THR  38           HN       THR  38  12.215   7.848  -9.107
  256    HA   THR  38           HA       THR  38  14.883   7.106  -9.736
  257    HB   THR  38           HB       THR  38  13.562   9.770 -10.293
  258    HG1  THR  38           HG1      THR  38  13.025   7.232 -11.238
  259   HG21  THR  38          HG21      THR  38  15.015   9.778 -12.266
  260   HG22  THR  38          HG22      THR  38  15.711   8.238 -11.763
  261   HG23  THR  38          HG23      THR  38  15.961   9.681 -10.781
  262    H    LYS  39           HN       LYS  39  13.419   9.150  -7.387
  263    HA   LYS  39           HA       LYS  39  16.052  10.087  -6.473
  264    HB2  LYS  39           HB2      LYS  39  13.309  11.074  -5.647
  265    HB3  LYS  39           HB1      LYS  39  14.850  11.770  -5.171
  266    HG2  LYS  39           HG2      LYS  39  15.279  12.428  -7.484
  267    HG3  LYS  39           HG1      LYS  39  13.747  11.709  -7.979
  268    HD2  LYS  39           HD2      LYS  39  14.046  13.965  -5.998
  269    HD3  LYS  39           HD1      LYS  39  13.612  14.159  -7.696
  270    HE2  LYS  39           HE2      LYS  39  12.028  12.586  -5.663
  271    HE3  LYS  39           HE1      LYS  39  11.658  14.225  -6.190
  272    HZ1  LYS  39           HZ1      LYS  39  11.340  13.392  -8.438
  273    HZ2  LYS  39           HZ2      LYS  39  10.311  12.596  -7.359
  274    HZ3  LYS  39           HZ3      LYS  39  11.698  11.821  -7.933
  275    H    ARG  40           HN       ARG  40  16.871   8.725  -4.980
  276    HA   ARG  40           HA       ARG  40  15.097   7.062  -3.420
  277    HB2  ARG  40           HB2      ARG  40  17.163   6.062  -2.508
  278    HB3  ARG  40           HB1      ARG  40  17.096   6.018  -4.260
  279    HG2  ARG  40           HG2      ARG  40  18.650   7.845  -4.418
  280    HG3  ARG  40           HG1      ARG  40  18.635   8.052  -2.665
  281    HD2  ARG  40           HD2      ARG  40  20.623   6.841  -3.330
  282    HD3  ARG  40           HD1      ARG  40  19.554   5.779  -2.417
  283    HE   ARG  40           HE       ARG  40  19.659   5.739  -5.363
  284   HH11  ARG  40          HH11      ARG  40  19.719   4.077  -2.276
  285   HH12  ARG  40          HH12      ARG  40  19.767   2.499  -2.985
  286   HH21  ARG  40          HH21      ARG  40  19.736   3.664  -6.296
  287   HH22  ARG  40          HH22      ARG  40  19.771   2.262  -5.274
  288    HA   PRO  41           HA       PRO  41  14.978  10.222  -0.302
  289    HB2  PRO  41           HB2      PRO  41  13.009   9.161   1.179
  290    HB3  PRO  41           HB1      PRO  41  12.699   9.882  -0.403
  291    HG2  PRO  41           HG2      PRO  41  12.967   7.003   0.351
  292    HG3  PRO  41           HG1      PRO  41  11.801   7.771  -0.744
  293    HD2  PRO  41           HD2      PRO  41  14.063   6.458  -1.591
  294    HD3  PRO  41           HD1      PRO  41  13.267   7.751  -2.513
  295    H    ALA  42           HN       ALA  42  15.876  10.538   1.662
  296    HA   ALA  42           HA       ALA  42  16.780   8.167   3.156
  297    HB1  ALA  42           HB1      ALA  42  18.736   9.478   3.849
  298    HB2  ALA  42           HB2      ALA  42  18.184  10.818   2.845
  299    HB3  ALA  42           HB3      ALA  42  18.657   9.292   2.098
  300    H    GLY  43           HN       GLY  43  16.329   8.118   5.314
  301    HA2  GLY  43           HA2      GLY  43  15.916   9.181   7.423
  302    HA3  GLY  43           HA1      GLY  43  15.304  10.582   6.554
  303    H    LYS  44           HN       LYS  44  13.190  10.822   6.639
  304    HA   LYS  44           HA       LYS  44  11.536   8.496   7.234
  305    HB2  LYS  44           HB2      LYS  44  11.225  11.432   7.524
  306    HB3  LYS  44           HB1      LYS  44   9.767  10.496   7.244
  307    HG2  LYS  44           HG2      LYS  44  11.737   9.985   9.460
  308    HG3  LYS  44           HG1      LYS  44  10.235  10.895   9.631
  309    HD2  LYS  44           HD2      LYS  44  10.505   7.986   8.870
  310    HD3  LYS  44           HD1      LYS  44   9.904   8.624  10.400
  311    HE2  LYS  44           HE2      LYS  44   8.031   9.676   9.217
  312    HE3  LYS  44           HE1      LYS  44   8.631   9.024   7.695
  313    HZ1  LYS  44           HZ1      LYS  44   8.408   6.776   8.790
  314    HZ2  LYS  44           HZ2      LYS  44   6.966   7.573   8.373
  315    HZ3  LYS  44           HZ3      LYS  44   7.494   7.554   9.986
  316    H    TRP  45           HN       TRP  45  11.050   7.387   5.471
  317    HA   TRP  45           HA       TRP  45   9.827   8.845   3.251
  318    HB2  TRP  45           HB2      TRP  45  11.719   7.569   2.453
  319    HB3  TRP  45           HB1      TRP  45  11.140   6.124   3.280
  320    HD1  TRP  45           HD1      TRP  45   9.843   8.517   0.511
  321    HE1  TRP  45           HE1      TRP  45   8.575   7.120  -1.222
  322    HE3  TRP  45           HE3      TRP  45  10.259   3.921   2.713
  323    HZ2  TRP  45           HZ2      TRP  45   7.841   4.429  -1.615
  324    HZ3  TRP  45           HZ3      TRP  45   9.244   1.981   1.581
  325    HH2  TRP  45           HH2      TRP  45   8.061   2.233  -0.536
  326    H    GLU  46           HN       GLU  46   7.729   8.605   2.932
  327    HA   GLU  46           HA       GLU  46   6.282   6.629   4.536
  328    HB2  GLU  46           HB2      GLU  46   5.333   9.059   3.002
  329    HB3  GLU  46           HB1      GLU  46   4.288   7.991   3.930
  330    HG2  GLU  46           HG2      GLU  46   6.604   9.446   5.159
  331    HG3  GLU  46           HG1      GLU  46   4.994  10.151   5.035
  332    H    CYS  47           HN       CYS  47   5.499   4.827   3.568
  333    HA   CYS  47           HA       CYS  47   5.738   4.409   0.772
  334    HB2  CYS  47           HB2      CYS  47   4.752   2.271   1.123
  335    HB3  CYS  47           HB1      CYS  47   5.727   2.588   2.550
  336    HA   PRO  48           HA       PRO  48   2.120   6.398  -0.778
  337    HB2  PRO  48           HB2      PRO  48   1.515   4.705  -2.861
  338    HB3  PRO  48           HB1      PRO  48   2.785   5.935  -2.917
  339    HG2  PRO  48           HG2      PRO  48   3.007   3.002  -2.363
  340    HG3  PRO  48           HG1      PRO  48   4.037   4.033  -3.373
  341    HD2  PRO  48           HD2      PRO  48   4.792   3.305  -0.909
  342    HD3  PRO  48           HD1      PRO  48   5.153   4.931  -1.531
  343    H    TRP  49           HN       TRP  49   2.076   3.355   0.608
  344    HA   TRP  49           HA       TRP  49  -0.671   2.663   0.211
  345    HB2  TRP  49           HB2      TRP  49   1.382   1.176   0.873
  346    HB3  TRP  49           HB1      TRP  49   1.009   1.705   2.514
  347    HD1  TRP  49           HD1      TRP  49  -1.587   0.654  -0.175
  348    HE1  TRP  49           HE1      TRP  49  -2.878  -1.390   0.733
  349    HE3  TRP  49           HE3      TRP  49   1.008  -0.086   4.178
  350    HZ2  TRP  49           HZ2      TRP  49  -2.803  -3.070   2.992
  351    HZ3  TRP  49           HZ3      TRP  49   0.334  -1.933   5.655
  352    HH2  TRP  49           HH2      TRP  49  -1.538  -3.398   5.070
  353    H    HIS  50           HN       HIS  50   0.987   4.913   2.177
  354    HA   HIS  50           HA       HIS  50  -1.289   5.181   4.009
  355    HB2  HIS  50           HB2      HIS  50   1.241   6.840   3.930
  356    HB3  HIS  50           HB1      HIS  50   0.030   6.812   5.210
  357    HD1  HIS  50           HD1      HIS  50  -0.105   3.650   5.509
  358    HD2  HIS  50           HD2      HIS  50   3.322   5.986   5.342
  359    HE1  HIS  50           HE1      HIS  50   1.719   2.325   6.668
  360    H    GLN  51           HN       GLN  51  -0.724   6.048   0.969
  361    HA   GLN  51           HA       GLN  51  -1.746   8.789   1.302
  362    HB2  GLN  51           HB2      GLN  51  -0.038   7.739  -0.964
  363    HB3  GLN  51           HB1      GLN  51  -0.619   9.389  -0.778
  364    HG2  GLN  51           HG2      GLN  51   1.149   8.045   1.236
  365    HG3  GLN  51           HG1      GLN  51   1.774   8.971  -0.123
  366   HE21  GLN  51          HE21      GLN  51  -0.026   9.151   2.889
  367   HE22  GLN  51          HE22      GLN  51   0.166  10.854   3.113
  368    H    CYS  52           HN       CYS  52  -3.516   9.368   0.225
  369    HA   CYS  52           HA       CYS  52  -5.208   7.350  -0.841
  370    HB2  CYS  52           HB2      CYS  52  -6.043   9.352   0.340
  371    HB3  CYS  52           HB1      CYS  52  -5.445  10.367  -0.962
  372    H    ASP  53           HN       ASP  53  -5.252   6.573  -2.833
  373    HA   ASP  53           HA       ASP  53  -3.436   7.405  -4.822
  374    HB2  ASP  53           HB2      ASP  53  -4.307   5.096  -4.649
  375    HB3  ASP  53           HB1      ASP  53  -5.900   5.665  -5.139
  376    H    VAL  54           HN       VAL  54  -6.493   8.626  -3.967
  377    HA   VAL  54           HA       VAL  54  -7.049   9.696  -6.611
  378    HB   VAL  54           HB       VAL  54  -8.571  10.052  -4.025
  379   HG11  VAL  54          HG11      VAL  54  -9.290  10.815  -6.849
  380   HG12  VAL  54          HG12      VAL  54  -8.949  11.920  -5.517
  381   HG13  VAL  54          HG13      VAL  54 -10.379  10.887  -5.464
  382   HG21  VAL  54          HG21      VAL  54  -8.605   7.748  -4.815
  383   HG22  VAL  54          HG22      VAL  54  -9.123   8.294  -6.409
  384   HG23  VAL  54          HG23      VAL  54 -10.185   8.507  -5.016
  385    H    CYS  55           HN       CYS  55  -6.595  11.081  -3.324
  386    HA   CYS  55           HA       CYS  55  -6.144  13.652  -4.664
  387    HB2  CYS  55           HB2      CYS  55  -6.812  14.727  -2.573
  388    HB3  CYS  55           HB1      CYS  55  -8.053  13.635  -3.165
  389    H    GLY  56           HN       GLY  56  -4.418  11.254  -3.058
  390    HA2  GLY  56           HA2      GLY  56  -2.146  11.226  -2.616
  391    HA3  GLY  56           HA1      GLY  56  -2.091  12.947  -2.975
  392    H    LYS  57           HN       LYS  57  -4.508  12.778  -0.820
  393    HA   LYS  57           HA       LYS  57  -2.831  13.680   1.331
  394    HB2  LYS  57           HB2      LYS  57  -5.817  13.235   1.251
  395    HB3  LYS  57           HB1      LYS  57  -4.944  14.051   2.540
  396    HG2  LYS  57           HG2      LYS  57  -4.272  15.809   1.013
  397    HG3  LYS  57           HG1      LYS  57  -5.062  14.975  -0.324
  398    HD2  LYS  57           HD2      LYS  57  -6.528  16.709   0.397
  399    HD3  LYS  57           HD1      LYS  57  -7.216  15.180   0.937
  400    HE2  LYS  57           HE2      LYS  57  -7.422  16.782   2.713
  401    HE3  LYS  57           HE1      LYS  57  -6.216  15.584   3.182
  402    HZ1  LYS  57           HZ1      LYS  57  -4.480  17.143   2.542
  403    HZ2  LYS  57           HZ2      LYS  57  -5.495  17.822   3.710
  404    HZ3  LYS  57           HZ3      LYS  57  -5.642  18.287   2.092
  405    H    GLU  58           HN       GLU  58  -3.755  12.823   3.627
  406    HA   GLU  58           HA       GLU  58  -2.583  10.323   3.990
  407    HB2  GLU  58           HB2      GLU  58  -2.809  11.934   5.807
  408    HB3  GLU  58           HB1      GLU  58  -4.558  11.774   5.760
  409    HG2  GLU  58           HG2      GLU  58  -4.339   9.417   6.418
  410    HG3  GLU  58           HG1      GLU  58  -2.592   9.625   6.515
  411    H    ALA  59           HN       ALA  59  -3.273   8.326   3.686
  412    HA   ALA  59           HA       ALA  59  -6.037   7.812   3.006
  413    HB1  ALA  59           HB1      ALA  59  -4.319   6.678   1.745
  414    HB2  ALA  59           HB2      ALA  59  -5.269   5.501   2.652
  415    HB3  ALA  59           HB3      ALA  59  -3.665   5.968   3.221
  416    H    ALA  60           HN       ALA  60  -7.533   6.875   4.300
  417    HA   ALA  60           HA       ALA  60  -6.768   6.432   7.092
  418    HB1  ALA  60           HB1      ALA  60  -9.147   6.587   7.588
  419    HB2  ALA  60           HB2      ALA  60  -9.512   6.695   5.865
  420    HB3  ALA  60           HB3      ALA  60  -8.615   7.988   6.659
  421    H    SER  61           HN       SER  61  -8.051   4.850   4.275
  422    HA   SER  61           HA       SER  61  -7.810   2.300   5.689
  423    HB2  SER  61           HB2      SER  61  -9.762   1.469   4.379
  424    HB3  SER  61           HB1      SER  61 -10.185   2.763   5.496
  425    HG   SER  61           HG       SER  61  -9.474   3.419   2.869
  426    H    PHE  62           HN       PHE  62  -6.879   0.664   4.531
  427    HA   PHE  62           HA       PHE  62  -5.627   1.508   1.999
  428    HB2  PHE  62           HB2      PHE  62  -4.332  -0.485   3.826
  429    HB3  PHE  62           HB1      PHE  62  -3.574   0.695   2.750
  430    HD1  PHE  62           HD1      PHE  62  -4.088  -0.150   6.062
  431    HD2  PHE  62           HD2      PHE  62  -4.148   3.247   3.503
  432    HE1  PHE  62           HE1      PHE  62  -3.749   1.320   8.003
  433    HE2  PHE  62           HE2      PHE  62  -3.808   4.718   5.439
  434    HZ   PHE  62           HZ       PHE  62  -3.605   3.756   7.693
  435    H    CYS  63           HN       CYS  63  -5.874   0.084   0.276
  436    HA   CYS  63           HA       CYS  63  -7.466  -2.246   0.591
  437    HB2  CYS  63           HB2      CYS  63  -7.246  -0.987  -1.583
  438    HB3  CYS  63           HB1      CYS  63  -5.629  -1.673  -1.747
  439    H    GLU  64           HN       GLU  64  -6.913  -4.213   1.223
  440    HA   GLU  64           HA       GLU  64  -4.129  -4.690   1.901
  441    HB2  GLU  64           HB2      GLU  64  -6.623  -6.299   2.455
  442    HB3  GLU  64           HB1      GLU  64  -5.017  -6.718   3.031
  443    HG2  GLU  64           HG2      GLU  64  -4.946  -4.553   4.247
  444    HG3  GLU  64           HG1      GLU  64  -6.617  -4.274   3.759
  445    H    MET  65           HN       MET  65  -5.606  -4.920  -0.879
  446    HA   MET  65           HA       MET  65  -4.263  -7.444  -1.597
  447    HB2  MET  65           HB2      MET  65  -6.678  -6.197  -2.924
  448    HB3  MET  65           HB1      MET  65  -5.871  -7.681  -3.435
  449    HG2  MET  65           HG2      MET  65  -6.493  -8.782  -1.379
  450    HG3  MET  65           HG1      MET  65  -7.196  -7.291  -0.754
  451    HE1  MET  65           HE1      MET  65  -7.435 -10.045  -3.530
  452    HE2  MET  65           HE2      MET  65  -7.495  -8.562  -4.482
  453    HE3  MET  65           HE3      MET  65  -8.921  -9.593  -4.365
  454    H    CYS  66           HN       CYS  66  -4.240  -4.090  -1.982
  455    HA   CYS  66           HA       CYS  66  -2.110  -4.181  -3.852
  456    HB2  CYS  66           HB2      CYS  66  -3.102  -3.261  -5.783
  457    HB3  CYS  66           HB1      CYS  66  -4.254  -4.489  -5.271
  458    HA   PRO  67           HA       PRO  67  -1.258  -0.326  -1.934
  459    HB2  PRO  67           HB2      PRO  67  -0.330   0.862  -4.469
  460    HB3  PRO  67           HB1      PRO  67   0.587   0.477  -3.010
  461    HG2  PRO  67           HG2      PRO  67   0.896  -0.958  -5.235
  462    HG3  PRO  67           HG1      PRO  67   0.912  -1.730  -3.636
  463    HD2  PRO  67           HD2      PRO  67  -1.350  -1.572  -5.624
  464    HD3  PRO  67           HD1      PRO  67  -0.757  -2.981  -4.709
  465    H    SER  68           HN       SER  68  -3.891  -0.448  -3.790
  466    HA   SER  68           HA       SER  68  -4.342   2.362  -4.212
  467    HB2  SER  68           HB2      SER  68  -6.314   0.064  -4.226
  468    HB3  SER  68           HB1      SER  68  -6.649   1.707  -4.769
  469    HG   SER  68           HG       SER  68  -6.102   0.733  -6.608
  470    H    SER  69           HN       SER  69  -3.902   3.205  -2.159
  471    HA   SER  69           HA       SER  69  -5.791   2.582  -0.023
  472    HB2  SER  69           HB2      SER  69  -4.172   4.434   1.060
  473    HB3  SER  69           HB1      SER  69  -3.721   2.726   0.986
  474    HG   SER  69           HG       SER  69  -2.803   4.903  -0.524
  475    H    PHE  70           HN       PHE  70  -7.079   4.265   0.971
  476    HA   PHE  70           HA       PHE  70  -7.384   6.688  -0.656
  477    HB2  PHE  70           HB2      PHE  70  -9.682   4.886   0.146
  478    HB3  PHE  70           HB1      PHE  70  -9.823   6.430  -0.696
  479    HD1  PHE  70           HD1      PHE  70  -8.522   6.589  -2.952
  480    HD2  PHE  70           HD2      PHE  70  -9.655   2.942  -1.083
  481    HE1  PHE  70           HE1      PHE  70  -8.356   5.437  -5.118
  482    HE2  PHE  70           HE2      PHE  70  -9.492   1.779  -3.246
  483    HZ   PHE  70           HZ       PHE  70  -8.839   3.006  -5.257
  484    H    CYS  71           HN       CYS  71  -8.353   8.429   0.400
  485    HA   CYS  71           HA       CYS  71  -7.964   8.524   3.246
  486    HB2  CYS  71           HB2      CYS  71  -8.551  10.872   3.032
  487    HB3  CYS  71           HB1      CYS  71  -7.461  10.433   1.718
  488    H    LYS  72           HN       LYS  72  -9.837   9.771   4.499
  489    HA   LYS  72           HA       LYS  72 -11.942   8.012   4.893
  490    HB2  LYS  72           HB2      LYS  72 -11.825  10.975   5.448
  491    HB3  LYS  72           HB1      LYS  72 -13.079   9.907   6.054
  492    HG2  LYS  72           HG2      LYS  72 -11.423   8.648   7.310
  493    HG3  LYS  72           HG1      LYS  72 -10.144   9.684   6.673
  494    HD2  LYS  72           HD2      LYS  72 -11.181  11.623   7.737
  495    HD3  LYS  72           HD1      LYS  72 -12.464  10.591   8.371
  496    HE2  LYS  72           HE2      LYS  72 -10.839   9.339   9.669
  497    HE3  LYS  72           HE1      LYS  72  -9.531  10.308   8.997
  498    HZ1  LYS  72           HZ1      LYS  72 -11.750  11.350  10.673
  499    HZ2  LYS  72           HZ2      LYS  72 -10.464  12.257  10.059
  500    HZ3  LYS  72           HZ3      LYS  72 -10.174  11.055  11.210
  501    H    GLN  73           HN       GLN  73 -11.776  10.854   2.832
  502    HA   GLN  73           HA       GLN  73 -14.550  10.898   2.197
  503    HB2  GLN  73           HB2      GLN  73 -13.021  12.873   2.148
  504    HB3  GLN  73           HB1      GLN  73 -12.261  12.190   0.719
  505    HG2  GLN  73           HG2      GLN  73 -14.383  12.328  -0.475
  506    HG3  GLN  73           HG1      GLN  73 -15.146  13.014   0.956
  507   HE21  GLN  73          HE21      GLN  73 -11.885  13.792  -0.055
  508   HE22  GLN  73          HE22      GLN  73 -12.212  15.428  -0.508
  509    H    HIS  74           HN       HIS  74 -11.654   9.765   0.486
  510    HA   HIS  74           HA       HIS  74 -13.298   9.068  -1.818
  511    HB2  HIS  74           HB2      HIS  74 -10.295   9.041  -1.446
  512    HB3  HIS  74           HB1      HIS  74 -11.123   8.587  -2.941
  513    HD2  HIS  74           HD2      HIS  74 -13.286  11.075  -2.881
  514    HE1  HIS  74           HE1      HIS  74  -9.797  13.438  -3.041
  515    HE2  HIS  74           HE2      HIS  74 -12.320  13.447  -3.265
  516    H    ARG  75           HN       ARG  75 -12.645   7.482   0.943
  517    HA   ARG  75           HA       ARG  75 -12.070   4.914  -0.266
  518    HB2  ARG  75           HB2      ARG  75 -12.036   4.002   1.935
  519    HB3  ARG  75           HB1      ARG  75 -11.171   5.528   1.977
  520    HG2  ARG  75           HG2      ARG  75 -13.174   6.601   2.926
  521    HG3  ARG  75           HG1      ARG  75 -13.971   5.024   2.951
  522    HD2  ARG  75           HD2      ARG  75 -12.072   4.185   4.341
  523    HD3  ARG  75           HD1      ARG  75 -11.481   5.836   4.443
  524    HE   ARG  75           HE       ARG  75 -13.829   6.259   5.437
  525   HH11  ARG  75          HH11      ARG  75 -11.927   3.358   5.859
  526   HH12  ARG  75          HH12      ARG  75 -12.576   2.998   7.424
  527   HH21  ARG  75          HH21      ARG  75 -14.699   5.786   7.505
  528   HH22  ARG  75          HH22      ARG  75 -14.161   4.375   8.359
  529    H    GLU  76           HN       GLU  76 -14.821   6.746   0.711
  530    HA   GLU  76           HA       GLU  76 -16.657   4.605   0.948
  531    HB2  GLU  76           HB2      GLU  76 -17.046   7.531   0.322
  532    HB3  GLU  76           HB1      GLU  76 -18.382   6.406   0.521
  533    HG2  GLU  76           HG2      GLU  76 -17.599   5.930   2.809
  534    HG3  GLU  76           HG1      GLU  76 -16.325   7.130   2.601
  535    H    GLY  77           HN       GLY  77 -17.484   3.346  -0.594
  536    HA2  GLY  77           HA2      GLY  77 -18.362   2.770  -2.665
  537    HA3  GLY  77           HA1      GLY  77 -17.932   4.367  -3.264
  538    H    MET  78           HN       MET  78 -15.141   3.587  -1.985
  539    HA   MET  78           HA       MET  78 -14.220   2.295  -4.465
  540    HB2  MET  78           HB2      MET  78 -12.744   4.137  -2.571
  541    HB3  MET  78           HB1      MET  78 -11.999   3.321  -3.939
  542    HG2  MET  78           HG2      MET  78 -14.268   5.304  -4.118
  543    HG3  MET  78           HG1      MET  78 -12.569   5.657  -4.438
  544    HE1  MET  78           HE1      MET  78 -13.219   6.633  -6.838
  545    HE2  MET  78           HE2      MET  78 -14.911   6.295  -6.476
  546    HE3  MET  78           HE3      MET  78 -14.210   5.755  -8.000
  547    H    LEU  79           HN       LEU  79 -13.844   2.239  -0.938
  548    HA   LEU  79           HA       LEU  79 -12.522  -0.377  -1.242
  549    HB2  LEU  79           HB2      LEU  79 -11.076   1.544  -0.415
  550    HB3  LEU  79           HB1      LEU  79 -12.090   1.575   1.015
  551    HG   LEU  79           HG       LEU  79 -11.391  -0.744   1.536
  552   HD11  LEU  79          HD11      LEU  79  -9.517  -0.360  -0.792
  553   HD12  LEU  79          HD12      LEU  79 -10.854  -1.503  -0.716
  554   HD13  LEU  79          HD13      LEU  79  -9.471  -1.694   0.357
  555   HD21  LEU  79          HD21      LEU  79  -9.101  -0.163   2.200
  556   HD22  LEU  79          HD22      LEU  79 -10.244   1.132   2.545
  557   HD23  LEU  79          HD23      LEU  79  -9.170   1.252   1.153
  558    H    PHE  80           HN       PHE  80 -13.264  -2.028   0.032
  559    HA   PHE  80           HA       PHE  80 -15.109  -1.494   2.207
  560    HB2  PHE  80           HB2      PHE  80 -16.774  -3.140   1.258
  561    HB3  PHE  80           HB1      PHE  80 -16.682  -1.609   0.404
  562    HD1  PHE  80           HD1      PHE  80 -16.030  -1.512  -1.886
  563    HD2  PHE  80           HD2      PHE  80 -15.763  -5.183   0.265
  564    HE1  PHE  80           HE1      PHE  80 -15.641  -2.719  -3.990
  565    HE2  PHE  80           HE2      PHE  80 -15.375  -6.382  -1.836
  566    HZ   PHE  80           HZ       PHE  80 -15.371  -5.150  -3.984
  567    H    ILE  81           HN       ILE  81 -15.661  -3.560   3.369
  568    HA   ILE  81           HA       ILE  81 -13.290  -5.186   3.630
  569    HB   ILE  81           HB       ILE  81 -15.933  -5.200   5.077
  570   HG12  ILE  81          HG12      ILE  81 -14.285  -3.386   5.572
  571   HG13  ILE  81          HG11      ILE  81 -14.659  -4.402   6.958
  572   HG21  ILE  81          HG21      ILE  81 -13.584  -7.039   5.485
  573   HG22  ILE  81          HG22      ILE  81 -15.214  -7.492   4.981
  574   HG23  ILE  81          HG23      ILE  81 -14.935  -6.864   6.606
  575   HD11  ILE  81          HD11      ILE  81 -12.186  -4.527   5.255
  576   HD12  ILE  81          HD12      ILE  81 -12.570  -5.644   6.565
  577   HD13  ILE  81          HD13      ILE  81 -12.312  -3.934   6.911
  578    H    SER  82           HN       SER  82 -12.920  -7.073   2.706
  579    HA   SER  82           HA       SER  82 -14.682  -8.274   0.855
  580    HB2  SER  82           HB2      SER  82 -12.342  -8.642   0.566
  581    HB3  SER  82           HB1      SER  82 -12.159  -9.232   2.213
  582    HG   SER  82           HG       SER  82 -13.317 -10.506  -0.024
  583    H    LYS  83           HN       LYS  83 -16.394  -9.508   1.243
  584    HA   LYS  83           HA       LYS  83 -17.060 -10.354   3.882
  585    HB2  LYS  83           HB2      LYS  83 -18.298 -11.022   1.210
  586    HB3  LYS  83           HB1      LYS  83 -18.989 -11.451   2.771
  587    HG2  LYS  83           HG2      LYS  83 -19.241  -9.130   3.354
  588    HG3  LYS  83           HG1      LYS  83 -18.421  -8.637   1.873
  589    HD2  LYS  83           HD2      LYS  83 -20.224  -9.634   0.551
  590    HD3  LYS  83           HD1      LYS  83 -21.038 -10.123   2.037
  591    HE2  LYS  83           HE2      LYS  83 -21.266  -7.795   2.697
  592    HE3  LYS  83           HE1      LYS  83 -20.410  -7.283   1.246
  593    HZ1  LYS  83           HZ1      LYS  83 -22.824  -7.087   1.037
  594    HZ2  LYS  83           HZ2      LYS  83 -22.984  -8.753   1.258
  595    HZ3  LYS  83           HZ3      LYS  83 -22.178  -8.157  -0.101
  596    H    LEU  84           HN       LEU  84 -15.240 -11.683   1.336
  597    HA   LEU  84           HA       LEU  84 -15.501 -14.425   2.210
  598    HB2  LEU  84           HB2      LEU  84 -13.683 -13.149   0.178
  599    HB3  LEU  84           HB1      LEU  84 -13.839 -14.873   0.445
  600    HG   LEU  84           HG       LEU  84 -16.046 -13.055  -0.531
  601   HD11  LEU  84          HD11      LEU  84 -15.754 -14.237  -2.665
  602   HD12  LEU  84          HD12      LEU  84 -14.344 -15.061  -2.000
  603   HD13  LEU  84          HD13      LEU  84 -14.325 -13.311  -2.210
  604   HD21  LEU  84          HD21      LEU  84 -15.936 -16.047  -0.179
  605   HD22  LEU  84          HD22      LEU  84 -17.224 -15.172  -1.003
  606   HD23  LEU  84          HD23      LEU  84 -16.948 -14.915   0.718
  607    H    ASP  85           HN       ASP  85 -12.840 -12.036   2.035
  608    HA   ASP  85           HA       ASP  85 -11.239 -13.833   3.716
  609    HB2  ASP  85           HB2      ASP  85 -10.404 -11.454   2.054
  610    HB3  ASP  85           HB1      ASP  85  -9.312 -12.399   3.056
  611    H    GLY  86           HN       GLY  86 -12.956 -10.891   3.910
  612    HA2  GLY  86           HA2      GLY  86 -13.296  -9.535   5.759
  613    HA3  GLY  86           HA1      GLY  86 -12.076 -10.456   6.626
  614    H    ARG  87           HN       ARG  87 -10.746  -9.690   3.756
  615    HA   ARG  87           HA       ARG  87  -9.079  -7.632   4.913
  616    HB2  ARG  87           HB2      ARG  87  -9.048  -8.897   2.166
  617    HB3  ARG  87           HB1      ARG  87  -7.802  -7.841   2.816
  618    HG2  ARG  87           HG2      ARG  87  -7.281  -9.490   4.528
  619    HG3  ARG  87           HG1      ARG  87  -8.551 -10.546   3.908
  620    HD2  ARG  87           HD2      ARG  87  -7.384 -10.603   1.733
  621    HD3  ARG  87           HD1      ARG  87  -6.089  -9.635   2.431
  622    HE   ARG  87           HE       ARG  87  -6.063 -11.672   4.099
  623   HH11  ARG  87          HH11      ARG  87  -6.421 -11.714   0.617
  624   HH12  ARG  87          HH12      ARG  87  -5.656 -13.257   0.428
  625   HH21  ARG  87          HH21      ARG  87  -5.054 -13.715   3.852
  626   HH22  ARG  87          HH22      ARG  87  -4.882 -14.400   2.265
  627    H    LEU  88           HN       LEU  88  -8.899  -5.517   4.166
  628    HA   LEU  88           HA       LEU  88 -11.146  -4.326   2.909
  629    HB2  LEU  88           HB2      LEU  88  -8.349  -3.340   3.420
  630    HB3  LEU  88           HB1      LEU  88  -9.562  -2.355   2.638
  631    HG   LEU  88           HG       LEU  88 -10.089  -3.548   5.334
  632   HD11  LEU  88          HD11      LEU  88  -8.719  -0.920   4.781
  633   HD12  LEU  88          HD12      LEU  88  -7.949  -2.346   5.475
  634   HD13  LEU  88          HD13      LEU  88  -9.231  -1.518   6.360
  635   HD21  LEU  88          HD21      LEU  88 -11.972  -2.581   4.132
  636   HD22  LEU  88          HD22      LEU  88 -11.070  -1.084   3.896
  637   HD23  LEU  88          HD23      LEU  88 -11.549  -1.579   5.519
  638    H    SER  89           HN       SER  89 -11.693  -4.453   0.839
  639    HA   SER  89           HA       SER  89  -9.551  -4.839  -1.145
  640    HB2  SER  89           HB2      SER  89 -10.807  -6.942  -0.736
  641    HB3  SER  89           HB1      SER  89 -12.297  -6.121  -1.204
  642    HG   SER  89           HG       SER  89 -10.243  -7.101  -2.761
  643    H    CYS  90           HN       CYS  90  -9.671  -3.615  -2.949
  644    HA   CYS  90           HA       CYS  90 -11.587  -1.430  -2.876
  645    HB2  CYS  90           HB2      CYS  90 -10.115  -0.278  -4.381
  646    HB3  CYS  90           HB1      CYS  90  -9.104  -1.050  -3.161
  647    H    THR  91           HN       THR  91 -12.342  -0.609  -5.062
  648    HA   THR  91           HA       THR  91 -13.908  -2.670  -6.270
  649    HB   THR  91           HB       THR  91 -14.708  -0.706  -7.696
  650    HG1  THR  91           HG1      THR  91 -14.065   1.331  -6.969
  651   HG21  THR  91          HG21      THR  91 -16.023   0.222  -5.853
  652   HG22  THR  91          HG22      THR  91 -14.928  -0.529  -4.691
  653   HG23  THR  91          HG23      THR  91 -15.922  -1.534  -5.744
  654    H    GLU  92           HN       GLU  92 -10.785  -1.765  -6.850
  655    HA   GLU  92           HA       GLU  92 -10.876  -2.004  -9.739
  656    HB2  GLU  92           HB2      GLU  92  -8.488  -1.899  -7.879
  657    HB3  GLU  92           HB1      GLU  92  -8.425  -1.804  -9.631
  658    HG2  GLU  92           HG2      GLU  92  -9.848   0.279  -9.443
  659    HG3  GLU  92           HG1      GLU  92  -9.548   0.211  -7.710
  660    H    HIS  93           HN       HIS  93 -11.441  -4.137  -7.484
  661    HA   HIS  93           HA       HIS  93  -9.993  -6.312  -8.846
  662    HB2  HIS  93           HB2      HIS  93 -10.962  -6.293  -5.976
  663    HB3  HIS  93           HB1      HIS  93 -10.071  -7.589  -6.763
  664    HD1  HIS  93           HD1      HIS  93  -8.058  -5.252  -8.068
  665    HD2  HIS  93           HD2      HIS  93  -8.908  -6.143  -4.102
  666    HE1  HIS  93           HE1      HIS  93  -6.113  -4.375  -6.704
  667    H    ASP  94           HN       ASP  94 -12.233  -5.506 -10.009
  668    HA   ASP  94           HA       ASP  94 -14.063  -7.716  -9.487
  669    HB2  ASP  94           HB2      ASP  94 -14.999  -5.739  -8.319
  670    HB3  ASP  94           HB1      ASP  94 -15.003  -4.868  -9.847
  Start of MODEL    3
    1    H1   GLY   1           HT1      GLY   1   7.393  -5.866  18.075
    2    H2   GLY   1           HT2      GLY   1   8.205  -5.412  16.664
    3    H3   GLY   1           HT3      GLY   1   7.050  -6.642  16.614
    4    HA2  GLY   1           HA1      GLY   1   5.300  -5.086  17.157
    5    HA3  GLY   1           HA2      GLY   1   6.496  -3.801  17.248
    6    H    ALA   2           HN       ALA   2   4.540  -3.258  15.587
    7    HA   ALA   2           HA       ALA   2   4.908  -4.364  12.964
    8    HB1  ALA   2           HB1      ALA   2   3.300  -1.961  13.816
    9    HB2  ALA   2           HB2      ALA   2   2.708  -3.621  13.751
   10    HB3  ALA   2           HB3      ALA   2   3.190  -2.797  12.267
   11    H    MET   3           HN       MET   3   7.283  -3.802  13.039
   12    HA   MET   3           HA       MET   3   7.628  -1.481  11.336
   13    HB2  MET   3           HB2      MET   3   7.975  -0.727  13.755
   14    HB3  MET   3           HB1      MET   3   9.404  -1.749  13.763
   15    HG2  MET   3           HG2      MET   3   9.993   0.556  13.327
   16    HG3  MET   3           HG1      MET   3  10.348  -0.453  11.925
   17    HE1  MET   3           HE1      MET   3   9.344   2.924  10.246
   18    HE2  MET   3           HE2      MET   3  10.559   1.648  10.347
   19    HE3  MET   3           HE3      MET   3  10.265   2.699  11.732
   20    H    GLU   4           HN       GLU   4   7.793  -4.466  11.381
   21    HA   GLU   4           HA       GLU   4  10.614  -5.015  10.971
   22    HB2  GLU   4           HB2      GLU   4   8.218  -6.832  10.709
   23    HB3  GLU   4           HB1      GLU   4   9.899  -7.336  10.683
   24    HG2  GLU   4           HG2      GLU   4  10.174  -6.663  12.981
   25    HG3  GLU   4           HG1      GLU   4   8.525  -6.037  13.019
   26    H    ARG   5           HN       ARG   5  11.548  -4.846   9.047
   27    HA   ARG   5           HA       ARG   5  10.147  -4.185   6.693
   28    HB2  ARG   5           HB2      ARG   5  12.427  -3.499   6.861
   29    HB3  ARG   5           HB1      ARG   5  12.973  -5.148   7.149
   30    HG2  ARG   5           HG2      ARG   5  12.147  -5.723   4.852
   31    HG3  ARG   5           HG1      ARG   5  11.884  -4.000   4.591
   32    HD2  ARG   5           HD2      ARG   5  14.131  -3.530   4.541
   33    HD3  ARG   5           HD1      ARG   5  14.555  -4.934   5.522
   34    HE   ARG   5           HE       ARG   5  14.024  -6.306   3.532
   35   HH11  ARG   5          HH11      ARG   5  14.831  -2.924   3.083
   36   HH12  ARG   5          HH12      ARG   5  15.397  -3.149   1.460
   37   HH21  ARG   5          HH21      ARG   5  14.761  -6.613   1.418
   38   HH22  ARG   5          HH22      ARG   5  15.363  -5.253   0.511
   39    H    GLU   6           HN       GLU   6   9.071  -5.441   5.325
   40    HA   GLU   6           HA       GLU   6   9.322  -8.316   5.374
   41    HB2  GLU   6           HB2      GLU   6   7.155  -7.146   4.959
   42    HB3  GLU   6           HB1      GLU   6   7.816  -6.518   3.456
   43    HG2  GLU   6           HG2      GLU   6   6.356  -8.437   3.088
   44    HG3  GLU   6           HG1      GLU   6   8.009  -8.757   2.565
   45    H    ASP   7           HN       ASP   7  10.003  -9.562   3.474
   46    HA   ASP   7           HA       ASP   7  11.756  -8.007   1.692
   47    HB2  ASP   7           HB2      ASP   7  12.418 -10.357   3.325
   48    HB3  ASP   7           HB1      ASP   7  12.953 -10.449   1.649
   49    H    GLU   8           HN       GLU   8   9.132  -8.539   1.155
   50    HA   GLU   8           HA       GLU   8   9.461  -9.756  -1.435
   51    HB2  GLU   8           HB2      GLU   8   8.786 -11.646   0.057
   52    HB3  GLU   8           HB1      GLU   8   7.323 -10.759   0.459
   53    HG2  GLU   8           HG2      GLU   8   6.584 -10.873  -1.839
   54    HG3  GLU   8           HG1      GLU   8   8.084 -11.678  -2.304
   55    H    CYS   9           HN       CYS   9   8.003  -8.856  -2.936
   56    HA   CYS   9           HA       CYS   9   6.930  -6.328  -2.021
   57    HB2  CYS   9           HB2      CYS   9   8.171  -6.412  -4.123
   58    HB3  CYS   9           HB1      CYS   9   7.026  -7.588  -4.766
   59    H    PHE  10           HN       PHE  10   4.903  -6.043  -1.412
   60    HA   PHE  10           HA       PHE  10   2.939  -8.077  -1.596
   61    HB2  PHE  10           HB2      PHE  10   2.890  -6.523   0.249
   62    HB3  PHE  10           HB1      PHE  10   2.746  -5.150  -0.841
   63    HD1  PHE  10           HD1      PHE  10   0.655  -4.255  -1.223
   64    HD2  PHE  10           HD2      PHE  10   0.975  -8.296   0.075
   65    HE1  PHE  10           HE1      PHE  10  -1.793  -4.389  -1.046
   66    HE2  PHE  10           HE2      PHE  10  -1.471  -8.434   0.253
   67    HZ   PHE  10           HZ       PHE  10  -2.858  -6.456  -0.322
   68    H    SER  11           HN       SER  11   3.840  -5.487  -3.705
   69    HA   SER  11           HA       SER  11   1.343  -5.342  -5.104
   70    HB2  SER  11           HB2      SER  11   4.060  -4.403  -6.035
   71    HB3  SER  11           HB1      SER  11   2.489  -3.862  -6.626
   72    HG   SER  11           HG       SER  11   2.511  -2.451  -5.096
   73    H    CYS  12           HN       CYS  12   4.300  -7.190  -5.455
   74    HA   CYS  12           HA       CYS  12   3.343  -8.155  -8.071
   75    HB2  CYS  12           HB2      CYS  12   6.203  -7.993  -7.107
   76    HB3  CYS  12           HB1      CYS  12   5.664  -8.462  -8.719
   77    H    GLY  13           HN       GLY  13   4.488  -9.088  -4.919
   78    HA2  GLY  13           HA2      GLY  13   4.300 -11.189  -3.922
   79    HA3  GLY  13           HA1      GLY  13   3.913 -11.879  -5.494
   80    H    ASP  14           HN       ASP  14   6.493 -10.009  -6.055
   81    HA   ASP  14           HA       ASP  14   8.350 -12.266  -5.758
   82    HB2  ASP  14           HB2      ASP  14   8.145 -10.045  -7.773
   83    HB3  ASP  14           HB1      ASP  14   9.671 -10.885  -7.527
   84    H    ALA  15           HN       ALA  15  10.630 -11.699  -5.380
   85    HA   ALA  15           HA       ALA  15  10.876  -9.303  -3.692
   86    HB1  ALA  15           HB1      ALA  15  12.465 -10.499  -2.323
   87    HB2  ALA  15           HB2      ALA  15  12.323 -11.919  -3.359
   88    HB3  ALA  15           HB3      ALA  15  10.943 -11.387  -2.401
   89    H    GLY  16           HN       GLY  16  13.026  -8.354  -3.610
   90    HA2  GLY  16           HA2      GLY  16  15.199  -8.835  -5.152
   91    HA3  GLY  16           HA1      GLY  16  14.066  -8.105  -6.281
   92    H    GLN  17           HN       GLN  17  14.453  -5.993  -6.549
   93    HA   GLN  17           HA       GLN  17  15.855  -4.473  -4.549
   94    HB2  GLN  17           HB2      GLN  17  16.196  -4.052  -6.966
   95    HB3  GLN  17           HB1      GLN  17  14.531  -3.499  -7.087
   96    HG2  GLN  17           HG2      GLN  17  15.046  -1.718  -5.456
   97    HG3  GLN  17           HG1      GLN  17  16.728  -2.242  -5.462
   98   HE21  GLN  17          HE21      GLN  17  17.453  -0.266  -6.216
   99   HE22  GLN  17          HE22      GLN  17  17.199   0.251  -7.850
  100    H    LEU  18           HN       LEU  18  14.420  -4.694  -2.804
  101    HA   LEU  18           HA       LEU  18  11.815  -3.400  -3.075
  102    HB2  LEU  18           HB2      LEU  18  12.927  -5.085  -0.834
  103    HB3  LEU  18           HB1      LEU  18  11.292  -4.451  -0.925
  104    HG   LEU  18           HG       LEU  18  12.372  -6.286  -3.035
  105   HD11  LEU  18          HD11      LEU  18  12.616  -7.430  -0.908
  106   HD12  LEU  18          HD12      LEU  18  11.311  -8.132  -1.861
  107   HD13  LEU  18          HD13      LEU  18  10.939  -7.062  -0.511
  108   HD21  LEU  18          HD21      LEU  18   9.590  -5.640  -2.108
  109   HD22  LEU  18          HD22      LEU  18  10.025  -6.722  -3.427
  110   HD23  LEU  18          HD23      LEU  18  10.371  -4.999  -3.551
  111    H    VAL  19           HN       VAL  19  11.360  -1.538  -2.152
  112    HA   VAL  19           HA       VAL  19  13.335  -0.341  -0.342
  113    HB   VAL  19           HB       VAL  19  12.972   1.056  -2.264
  114   HG11  VAL  19          HG11      VAL  19  10.733   1.990  -2.798
  115   HG12  VAL  19          HG12      VAL  19  10.030   0.844  -1.654
  116   HG13  VAL  19          HG13      VAL  19  10.873   0.257  -3.088
  117   HG21  VAL  19          HG21      VAL  19  11.517   2.148   0.133
  118   HG22  VAL  19          HG22      VAL  19  12.115   3.113  -1.215
  119   HG23  VAL  19          HG23      VAL  19  13.248   2.240  -0.184
  120    H    SER  20           HN       SER  20  12.792   0.022   1.724
  121    HA   SER  20           HA       SER  20  10.167  -1.002   2.518
  122    HB2  SER  20           HB2      SER  20  12.189  -2.170   3.355
  123    HB3  SER  20           HB1      SER  20  12.668  -0.694   4.189
  124    HG   SER  20           HG       SER  20  11.274  -1.115   5.707
  125    H    CYS  21           HN       CYS  21   9.027  -0.054   4.236
  126    HA   CYS  21           HA       CYS  21   8.918   2.807   3.951
  127    HB2  CYS  21           HB2      CYS  21   6.980   1.049   4.136
  128    HB3  CYS  21           HB1      CYS  21   7.237   1.223   5.872
  129    H    LYS  22           HN       LYS  22   9.279   4.342   5.560
  130    HA   LYS  22           HA       LYS  22  10.655   3.342   7.971
  131    HB2  LYS  22           HB2      LYS  22  10.914   6.023   6.592
  132    HB3  LYS  22           HB1      LYS  22  11.784   5.532   8.039
  133    HG2  LYS  22           HG2      LYS  22  12.006   4.092   5.412
  134    HG3  LYS  22           HG1      LYS  22  13.079   5.405   5.895
  135    HD2  LYS  22           HD2      LYS  22  13.829   4.130   7.812
  136    HD3  LYS  22           HD1      LYS  22  12.678   2.844   7.443
  137    HE2  LYS  22           HE2      LYS  22  14.985   2.321   6.716
  138    HE3  LYS  22           HE1      LYS  22  13.827   2.337   5.388
  139    HZ1  LYS  22           HZ1      LYS  22  14.587   4.549   4.793
  140    HZ2  LYS  22           HZ2      LYS  22  15.881   3.461   4.797
  141    HZ3  LYS  22           HZ3      LYS  22  15.688   4.546   6.076
  142    H    LYS  23           HN       LYS  23   7.800   3.585   7.639
  143    HA   LYS  23           HA       LYS  23   7.217   5.696   9.601
  144    HB2  LYS  23           HB2      LYS  23   6.179   5.957   7.304
  145    HB3  LYS  23           HB1      LYS  23   5.270   4.487   7.629
  146    HG2  LYS  23           HG2      LYS  23   4.133   5.535   9.474
  147    HG3  LYS  23           HG1      LYS  23   5.122   6.984   9.307
  148    HD2  LYS  23           HD2      LYS  23   4.198   7.262   7.004
  149    HD3  LYS  23           HD1      LYS  23   3.102   5.916   7.338
  150    HE2  LYS  23           HE2      LYS  23   1.912   7.955   7.730
  151    HE3  LYS  23           HE1      LYS  23   2.239   7.202   9.291
  152    HZ1  LYS  23           HZ1      LYS  23   4.045   8.711   9.648
  153    HZ2  LYS  23           HZ2      LYS  23   2.660   9.606   9.267
  154    HZ3  LYS  23           HZ3      LYS  23   3.869   9.384   8.101
  155    HA   PRO  24           HA       PRO  24   6.459   2.327  12.352
  156    HB2  PRO  24           HB2      PRO  24   4.826   3.633  14.140
  157    HB3  PRO  24           HB1      PRO  24   6.589   3.756  14.128
  158    HG2  PRO  24           HG2      PRO  24   4.548   5.614  12.979
  159    HG3  PRO  24           HG1      PRO  24   6.032   5.995  13.874
  160    HD2  PRO  24           HD2      PRO  24   5.920   6.205  11.197
  161    HD3  PRO  24           HD1      PRO  24   7.391   5.635  12.016
  162    H    GLY  25           HN       GLY  25   5.056   0.684  12.343
  163    HA2  GLY  25           HA2      GLY  25   2.899  -0.283  12.521
  164    HA3  GLY  25           HA1      GLY  25   2.206   1.220  11.916
  165    H    CYS  26           HN       CYS  26   4.953   0.140  10.215
  166    HA   CYS  26           HA       CYS  26   3.247  -1.045   8.129
  167    HB2  CYS  26           HB2      CYS  26   4.090   1.423   7.881
  168    HB3  CYS  26           HB1      CYS  26   5.625   0.655   7.481
  169    HA   PRO  27           HA       PRO  27   6.761  -3.906   8.260
  170    HB2  PRO  27           HB2      PRO  27   5.369  -6.163   8.419
  171    HB3  PRO  27           HB1      PRO  27   5.451  -5.082   9.817
  172    HG2  PRO  27           HG2      PRO  27   3.220  -5.541   7.904
  173    HG3  PRO  27           HG1      PRO  27   3.154  -5.138   9.633
  174    HD2  PRO  27           HD2      PRO  27   2.919  -3.344   7.414
  175    HD3  PRO  27           HD1      PRO  27   2.984  -2.930   9.144
  176    H    LYS  28           HN       LYS  28   5.369  -2.652   5.898
  177    HA   LYS  28           HA       LYS  28   5.236  -4.931   4.040
  178    HB2  LYS  28           HB2      LYS  28   3.468  -2.797   4.491
  179    HB3  LYS  28           HB1      LYS  28   4.260  -2.420   2.957
  180    HG2  LYS  28           HG2      LYS  28   2.188  -3.653   2.602
  181    HG3  LYS  28           HG1      LYS  28   3.585  -4.588   2.062
  182    HD2  LYS  28           HD2      LYS  28   3.505  -5.960   4.035
  183    HD3  LYS  28           HD1      LYS  28   2.260  -4.933   4.752
  184    HE2  LYS  28           HE2      LYS  28   0.664  -5.603   3.106
  185    HE3  LYS  28           HE1      LYS  28   1.895  -6.454   2.179
  186    HZ1  LYS  28           HZ1      LYS  28   0.549  -7.984   3.462
  187    HZ2  LYS  28           HZ2      LYS  28   0.955  -7.190   4.896
  188    HZ3  LYS  28           HZ3      LYS  28   2.146  -8.007   4.018
  189    H    VAL  29           HN       VAL  29   6.139  -4.666   1.900
  190    HA   VAL  29           HA       VAL  29   8.068  -2.494   1.551
  191    HB   VAL  29           HB       VAL  29   9.126  -4.594   2.645
  192   HG11  VAL  29          HG11      VAL  29   8.904  -5.536  -0.192
  193   HG12  VAL  29          HG12      VAL  29   8.162  -6.273   1.225
  194   HG13  VAL  29          HG13      VAL  29   9.917  -6.267   1.047
  195   HG21  VAL  29          HG21      VAL  29  10.241  -3.210   0.239
  196   HG22  VAL  29          HG22      VAL  29  11.181  -4.329   1.224
  197   HG23  VAL  29          HG23      VAL  29  10.528  -2.860   1.943
  198    H    TYR  30           HN       TYR  30   8.771  -2.289  -0.696
  199    HA   TYR  30           HA       TYR  30   7.176  -3.727  -2.687
  200    HB2  TYR  30           HB2      TYR  30   7.104  -0.707  -2.447
  201    HB3  TYR  30           HB1      TYR  30   6.299  -1.671  -3.678
  202    HD1  TYR  30           HD1      TYR  30   4.439  -3.249  -2.919
  203    HD2  TYR  30           HD2      TYR  30   6.017  -0.167  -0.447
  204    HE1  TYR  30           HE1      TYR  30   2.408  -3.316  -1.543
  205    HE2  TYR  30           HE2      TYR  30   3.990  -0.237   0.943
  206    HH   TYR  30           HH       TYR  30   1.625  -0.935   0.717
  207    H    HIS  31           HN       HIS  31   7.832  -3.059  -4.926
  208    HA   HIS  31           HA       HIS  31  10.668  -2.399  -5.083
  209    HB2  HIS  31           HB2      HIS  31   8.719  -2.924  -7.350
  210    HB3  HIS  31           HB1      HIS  31  10.471  -2.813  -7.485
  211    HD2  HIS  31           HD2      HIS  31  11.677  -4.936  -5.700
  212    HE1  HIS  31           HE1      HIS  31   8.601  -7.558  -6.960
  213    HE2  HIS  31           HE2      HIS  31  11.010  -7.407  -6.168
  214    H    ALA  32           HN       ALA  32  11.448  -0.521  -5.977
  215    HA   ALA  32           HA       ALA  32   9.839   1.788  -5.882
  216    HB1  ALA  32           HB1      ALA  32  11.782   2.943  -6.821
  217    HB2  ALA  32           HB2      ALA  32  12.528   1.386  -7.181
  218    HB3  ALA  32           HB3      ALA  32  12.240   1.861  -5.507
  219    H    ASP  33           HN       ASP  33  10.698  -0.433  -8.410
  220    HA   ASP  33           HA       ASP  33   9.992   1.149 -10.639
  221    HB2  ASP  33           HB2      ASP  33  11.396  -0.843 -10.861
  222    HB3  ASP  33           HB1      ASP  33  10.052  -1.864 -10.365
  223    H    CYS  34           HN       CYS  34   8.117  -1.243  -8.769
  224    HA   CYS  34           HA       CYS  34   5.868  -1.016 -10.540
  225    HB2  CYS  34           HB2      CYS  34   4.734  -2.443  -8.739
  226    HB3  CYS  34           HB1      CYS  34   6.130  -3.155  -9.540
  227    H    LEU  35           HN       LEU  35   6.991   0.692  -7.825
  228    HA   LEU  35           HA       LEU  35   4.410   1.879  -7.221
  229    HB2  LEU  35           HB2      LEU  35   7.193   2.479  -6.235
  230    HB3  LEU  35           HB1      LEU  35   5.757   3.315  -5.685
  231    HG   LEU  35           HG       LEU  35   6.198   0.353  -5.351
  232   HD11  LEU  35          HD11      LEU  35   6.576   1.035  -2.951
  233   HD12  LEU  35          HD12      LEU  35   6.777   2.681  -3.548
  234   HD13  LEU  35          HD13      LEU  35   7.879   1.410  -4.077
  235   HD21  LEU  35          HD21      LEU  35   4.397   0.573  -3.692
  236   HD22  LEU  35          HD22      LEU  35   3.854   1.007  -5.313
  237   HD23  LEU  35          HD23      LEU  35   4.211   2.270  -4.134
  238    H    ASN  36           HN       ASN  36   6.672   2.225  -9.582
  239    HA   ASN  36           HA       ASN  36   7.102   3.736 -11.197
  240    HB2  ASN  36           HB2      ASN  36   4.606   5.066 -10.136
  241    HB3  ASN  36           HB1      ASN  36   5.428   5.530 -11.620
  242   HD21  ASN  36          HD21      ASN  36   2.724   4.578 -11.266
  243   HD22  ASN  36          HD22      ASN  36   2.579   3.152 -12.230
  244    H    LEU  37           HN       LEU  37   8.343   4.015  -8.625
  245    HA   LEU  37           HA       LEU  37   8.460   6.794  -7.957
  246    HB2  LEU  37           HB2      LEU  37  10.228   4.484  -7.172
  247    HB3  LEU  37           HB1      LEU  37  10.392   6.107  -6.530
  248    HG   LEU  37           HG       LEU  37   8.037   4.255  -6.153
  249   HD11  LEU  37          HD11      LEU  37   8.684   4.159  -3.866
  250   HD12  LEU  37          HD12      LEU  37   9.923   5.387  -4.104
  251   HD13  LEU  37          HD13      LEU  37  10.117   3.792  -4.829
  252   HD21  LEU  37          HD21      LEU  37   7.252   6.536  -6.352
  253   HD22  LEU  37          HD22      LEU  37   8.455   7.076  -5.181
  254   HD23  LEU  37          HD23      LEU  37   7.150   6.003  -4.676
  255    H    THR  38           HN       THR  38   9.139   8.039  -9.629
  256    HA   THR  38           HA       THR  38  11.233   7.393 -11.399
  257    HB   THR  38           HB       THR  38  10.388  10.196 -10.695
  258    HG1  THR  38           HG1      THR  38   9.007   8.206 -12.187
  259   HG21  THR  38          HG21      THR  38  10.775  10.581 -13.085
  260   HG22  THR  38          HG22      THR  38  11.234   8.890 -13.281
  261   HG23  THR  38          HG23      THR  38  12.221   9.963 -12.289
  262    H    LYS  39           HN       LYS  39  11.107   9.149  -8.350
  263    HA   LYS  39           HA       LYS  39  14.027   9.387  -8.378
  264    HB2  LYS  39           HB2      LYS  39  12.925  11.493  -7.962
  265    HB3  LYS  39           HB1      LYS  39  11.932  10.772  -6.700
  266    HG2  LYS  39           HG2      LYS  39  14.043  10.305  -5.435
  267    HG3  LYS  39           HG1      LYS  39  14.896  11.267  -6.643
  268    HD2  LYS  39           HD2      LYS  39  13.653  13.226  -6.058
  269    HD3  LYS  39           HD1      LYS  39  12.574  12.293  -5.018
  270    HE2  LYS  39           HE2      LYS  39  15.523  12.762  -4.587
  271    HE3  LYS  39           HE1      LYS  39  14.203  13.500  -3.684
  272    HZ1  LYS  39           HZ1      LYS  39  14.879  10.607  -3.743
  273    HZ2  LYS  39           HZ2      LYS  39  13.558  11.278  -2.926
  274    HZ3  LYS  39           HZ3      LYS  39  15.133  11.671  -2.451
  275    H    ARG  40           HN       ARG  40  15.246   8.341  -6.877
  276    HA   ARG  40           HA       ARG  40  14.015   6.241  -5.366
  277    HB2  ARG  40           HB2      ARG  40  16.870   7.221  -5.463
  278    HB3  ARG  40           HB1      ARG  40  16.339   5.805  -4.567
  279    HG2  ARG  40           HG2      ARG  40  15.581   4.783  -6.665
  280    HG3  ARG  40           HG1      ARG  40  16.173   6.192  -7.545
  281    HD2  ARG  40           HD2      ARG  40  18.437   5.740  -6.764
  282    HD3  ARG  40           HD1      ARG  40  17.853   4.352  -5.846
  283    HE   ARG  40           HE       ARG  40  17.286   4.289  -8.688
  284   HH11  ARG  40          HH11      ARG  40  19.465   3.348  -6.119
  285   HH12  ARG  40          HH12      ARG  40  20.209   2.078  -7.037
  286   HH21  ARG  40          HH21      ARG  40  18.251   2.619  -9.904
  287   HH22  ARG  40          HH22      ARG  40  19.511   1.658  -9.197
  288    HA   PRO  41           HA       PRO  41  13.351   8.813  -1.797
  289    HB2  PRO  41           HB2      PRO  41  12.366   6.904  -0.171
  290    HB3  PRO  41           HB1      PRO  41  11.428   7.583  -1.504
  291    HG2  PRO  41           HG2      PRO  41  12.946   5.010  -1.363
  292    HG3  PRO  41           HG1      PRO  41  11.339   5.326  -2.049
  293    HD2  PRO  41           HD2      PRO  41  13.600   5.134  -3.571
  294    HD3  PRO  41           HD1      PRO  41  12.209   6.137  -4.031
  295    H    ALA  42           HN       ALA  42  14.612   9.386  -0.126
  296    HA   ALA  42           HA       ALA  42  16.561   7.428   0.885
  297    HB1  ALA  42           HB1      ALA  42  18.218   9.230   1.010
  298    HB2  ALA  42           HB2      ALA  42  17.062  10.339   0.275
  299    HB3  ALA  42           HB3      ALA  42  17.671   8.963  -0.644
  300    H    GLY  43           HN       GLY  43  16.898   7.435   3.092
  301    HA2  GLY  43           HA2      GLY  43  16.751   8.179   5.293
  302    HA3  GLY  43           HA1      GLY  43  15.968   9.643   4.714
  303    H    LYS  44           HN       LYS  44  14.043   9.836   5.628
  304    HA   LYS  44           HA       LYS  44  12.507   7.483   6.339
  305    HB2  LYS  44           HB2      LYS  44  12.590   9.397   7.892
  306    HB3  LYS  44           HB1      LYS  44  11.846  10.419   6.671
  307    HG2  LYS  44           HG2      LYS  44   9.842   8.990   6.726
  308    HG3  LYS  44           HG1      LYS  44  10.588   8.027   8.001
  309    HD2  LYS  44           HD2      LYS  44  10.013  10.981   8.190
  310    HD3  LYS  44           HD1      LYS  44   8.969   9.716   8.832
  311    HE2  LYS  44           HE2      LYS  44  10.831   8.953  10.264
  312    HE3  LYS  44           HE1      LYS  44  11.808  10.293   9.666
  313    HZ1  LYS  44           HZ1      LYS  44   9.258  10.540  11.165
  314    HZ2  LYS  44           HZ2      LYS  44  10.171  11.831  10.574
  315    HZ3  LYS  44           HZ3      LYS  44  10.801  10.835  11.785
  316    H    TRP  45           HN       TRP  45  11.493   6.517   4.711
  317    HA   TRP  45           HA       TRP  45  10.031   8.184   2.800
  318    HB2  TRP  45           HB2      TRP  45  11.620   6.741   1.706
  319    HB3  TRP  45           HB1      TRP  45  11.035   5.344   2.600
  320    HD1  TRP  45           HD1      TRP  45   9.566   7.899   0.061
  321    HE1  TRP  45           HE1      TRP  45   7.977   6.626  -1.503
  322    HE3  TRP  45           HE3      TRP  45   9.898   3.264   2.179
  323    HZ2  TRP  45           HZ2      TRP  45   6.996   3.999  -1.802
  324    HZ3  TRP  45           HZ3      TRP  45   8.604   1.420   1.192
  325    HH2  TRP  45           HH2      TRP  45   7.179   1.781  -0.756
  326    H    GLU  46           HN       GLU  46   7.891   8.193   2.859
  327    HA   GLU  46           HA       GLU  46   6.514   6.162   4.473
  328    HB2  GLU  46           HB2      GLU  46   5.424   8.789   3.438
  329    HB3  GLU  46           HB1      GLU  46   4.685   7.734   4.636
  330    HG2  GLU  46           HG2      GLU  46   6.533   8.179   6.169
  331    HG3  GLU  46           HG1      GLU  46   7.269   9.242   4.973
  332    H    CYS  47           HN       CYS  47   5.687   4.519   3.303
  333    HA   CYS  47           HA       CYS  47   5.612   4.498   0.500
  334    HB2  CYS  47           HB2      CYS  47   4.614   2.345   0.639
  335    HB3  CYS  47           HB1      CYS  47   5.683   2.471   2.029
  336    HA   PRO  48           HA       PRO  48   1.873   6.568  -0.541
  337    HB2  PRO  48           HB2      PRO  48   1.192   5.261  -2.837
  338    HB3  PRO  48           HB1      PRO  48   2.511   6.437  -2.743
  339    HG2  PRO  48           HG2      PRO  48   2.624   3.449  -2.684
  340    HG3  PRO  48           HG1      PRO  48   3.673   4.594  -3.542
  341    HD2  PRO  48           HD2      PRO  48   4.397   3.416  -1.216
  342    HD3  PRO  48           HD1      PRO  48   4.922   5.058  -1.647
  343    H    TRP  49           HN       TRP  49   1.964   3.419   0.491
  344    HA   TRP  49           HA       TRP  49  -0.797   2.711   0.166
  345    HB2  TRP  49           HB2      TRP  49   1.240   1.146   0.556
  346    HB3  TRP  49           HB1      TRP  49   1.071   1.588   2.255
  347    HD1  TRP  49           HD1      TRP  49  -1.798   0.712  -0.206
  348    HE1  TRP  49           HE1      TRP  49  -3.060  -1.331   0.737
  349    HE3  TRP  49           HE3      TRP  49   1.139  -0.250   3.886
  350    HZ2  TRP  49           HZ2      TRP  49  -2.845  -3.087   2.925
  351    HZ3  TRP  49           HZ3      TRP  49   0.530  -2.127   5.355
  352    HH2  TRP  49           HH2      TRP  49  -1.424  -3.521   4.879
  353    H    HIS  50           HN       HIS  50   0.817   4.960   2.028
  354    HA   HIS  50           HA       HIS  50  -1.370   5.055   3.998
  355    HB2  HIS  50           HB2      HIS  50   1.166   6.698   4.016
  356    HB3  HIS  50           HB1      HIS  50   0.000   6.512   5.326
  357    HD1  HIS  50           HD1      HIS  50  -0.101   3.350   5.325
  358    HD2  HIS  50           HD2      HIS  50   3.313   5.706   5.206
  359    HE1  HIS  50           HE1      HIS  50   1.773   1.946   6.299
  360    H    GLN  51           HN       GLN  51  -0.864   6.094   1.018
  361    HA   GLN  51           HA       GLN  51  -1.855   8.816   1.534
  362    HB2  GLN  51           HB2      GLN  51  -0.086   7.954  -0.762
  363    HB3  GLN  51           HB1      GLN  51  -0.703   9.578  -0.484
  364    HG2  GLN  51           HG2      GLN  51   1.059   8.136   1.469
  365    HG3  GLN  51           HG1      GLN  51   1.682   9.167   0.187
  366   HE21  GLN  51          HE21      GLN  51  -0.156   9.096   3.176
  367   HE22  GLN  51          HE22      GLN  51   0.009  10.779   3.526
  368    H    CYS  52           HN       CYS  52  -3.576   9.489   0.434
  369    HA   CYS  52           HA       CYS  52  -5.296   7.551  -0.694
  370    HB2  CYS  52           HB2      CYS  52  -6.077   9.571   0.493
  371    HB3  CYS  52           HB1      CYS  52  -5.448  10.569  -0.808
  372    H    ASP  53           HN       ASP  53  -5.364   6.790  -2.693
  373    HA   ASP  53           HA       ASP  53  -3.512   7.631  -4.665
  374    HB2  ASP  53           HB2      ASP  53  -4.395   5.305  -4.450
  375    HB3  ASP  53           HB1      ASP  53  -5.950   5.874  -5.050
  376    H    VAL  54           HN       VAL  54  -6.561   8.837  -3.808
  377    HA   VAL  54           HA       VAL  54  -7.140   9.868  -6.465
  378    HB   VAL  54           HB       VAL  54  -8.688  10.216  -3.893
  379   HG11  VAL  54          HG11      VAL  54  -9.093  12.043  -5.442
  380   HG12  VAL  54          HG12      VAL  54 -10.505  10.989  -5.335
  381   HG13  VAL  54          HG13      VAL  54  -9.433  10.888  -6.734
  382   HG21  VAL  54          HG21      VAL  54 -10.259   8.618  -4.896
  383   HG22  VAL  54          HG22      VAL  54  -8.670   7.902  -4.621
  384   HG23  VAL  54          HG23      VAL  54  -9.149   8.392  -6.247
  385    H    CYS  55           HN       CYS  55  -6.686  11.289  -3.184
  386    HA   CYS  55           HA       CYS  55  -6.242  13.840  -4.564
  387    HB2  CYS  55           HB2      CYS  55  -6.864  14.957  -2.486
  388    HB3  CYS  55           HB1      CYS  55  -8.126  13.865  -3.037
  389    H    GLY  56           HN       GLY  56  -4.502  11.454  -2.957
  390    HA2  GLY  56           HA2      GLY  56  -2.207  11.405  -2.665
  391    HA3  GLY  56           HA1      GLY  56  -2.156  13.123  -3.038
  392    H    LYS  57           HN       LYS  57  -4.432  12.946  -0.703
  393    HA   LYS  57           HA       LYS  57  -2.569  13.810   1.320
  394    HB2  LYS  57           HB2      LYS  57  -5.565  13.460   1.482
  395    HB3  LYS  57           HB1      LYS  57  -4.562  14.225   2.703
  396    HG2  LYS  57           HG2      LYS  57  -3.884  15.900   0.969
  397    HG3  LYS  57           HG1      LYS  57  -5.115  15.199  -0.086
  398    HD2  LYS  57           HD2      LYS  57  -6.827  15.693   1.598
  399    HD3  LYS  57           HD1      LYS  57  -5.594  16.407   2.638
  400    HE2  LYS  57           HE2      LYS  57  -6.673  18.203   1.529
  401    HE3  LYS  57           HE1      LYS  57  -5.100  18.007   0.761
  402    HZ1  LYS  57           HZ1      LYS  57  -6.784  18.326  -0.895
  403    HZ2  LYS  57           HZ2      LYS  57  -7.704  17.047  -0.288
  404    HZ3  LYS  57           HZ3      LYS  57  -6.205  16.744  -1.012
  405    H    GLU  58           HN       GLU  58  -3.398  12.949   3.684
  406    HA   GLU  58           HA       GLU  58  -2.321  10.361   3.837
  407    HB2  GLU  58           HB2      GLU  58  -2.844  10.424   6.201
  408    HB3  GLU  58           HB1      GLU  58  -2.183  11.969   5.689
  409    HG2  GLU  58           HG2      GLU  58  -4.399  12.937   5.660
  410    HG3  GLU  58           HG1      GLU  58  -5.104  11.377   6.086
  411    H    ALA  59           HN       ALA  59  -3.192   8.392   4.016
  412    HA   ALA  59           HA       ALA  59  -6.000   8.126   3.288
  413    HB1  ALA  59           HB1      ALA  59  -4.447   6.895   1.932
  414    HB2  ALA  59           HB2      ALA  59  -5.402   5.759   2.883
  415    HB3  ALA  59           HB3      ALA  59  -3.745   6.132   3.360
  416    H    ALA  60           HN       ALA  60  -7.473   6.928   4.469
  417    HA   ALA  60           HA       ALA  60  -6.722   6.501   7.275
  418    HB1  ALA  60           HB1      ALA  60  -9.104   6.680   7.778
  419    HB2  ALA  60           HB2      ALA  60  -9.459   6.868   6.059
  420    HB3  ALA  60           HB3      ALA  60  -8.530   8.103   6.909
  421    H    SER  61           HN       SER  61  -8.115   4.992   4.443
  422    HA   SER  61           HA       SER  61  -7.924   2.411   5.826
  423    HB2  SER  61           HB2      SER  61  -9.883   1.690   4.396
  424    HB3  SER  61           HB1      SER  61 -10.269   2.872   5.641
  425    HG   SER  61           HG       SER  61  -9.710   3.518   2.938
  426    H    PHE  62           HN       PHE  62  -6.964   0.776   4.677
  427    HA   PHE  62           HA       PHE  62  -5.735   1.626   2.131
  428    HB2  PHE  62           HB2      PHE  62  -4.497  -0.449   3.917
  429    HB3  PHE  62           HB1      PHE  62  -3.708   0.645   2.776
  430    HD1  PHE  62           HD1      PHE  62  -3.702  -0.091   6.054
  431    HD2  PHE  62           HD2      PHE  62  -4.470   3.258   3.546
  432    HE1  PHE  62           HE1      PHE  62  -3.105   1.417   7.898
  433    HE2  PHE  62           HE2      PHE  62  -3.880   4.773   5.388
  434    HZ   PHE  62           HZ       PHE  62  -3.220   3.786   7.630
  435    H    CYS  63           HN       CYS  63  -5.982   0.285   0.378
  436    HA   CYS  63           HA       CYS  63  -7.628  -2.021   0.530
  437    HB2  CYS  63           HB2      CYS  63  -7.363  -0.701  -1.562
  438    HB3  CYS  63           HB1      CYS  63  -5.701  -1.275  -1.685
  439    H    GLU  64           HN       GLU  64  -7.138  -4.070   0.983
  440    HA   GLU  64           HA       GLU  64  -4.367  -4.632   1.709
  441    HB2  GLU  64           HB2      GLU  64  -6.885  -6.215   2.242
  442    HB3  GLU  64           HB1      GLU  64  -5.290  -6.577   2.890
  443    HG2  GLU  64           HG2      GLU  64  -5.302  -4.403   4.059
  444    HG3  GLU  64           HG1      GLU  64  -6.928  -4.112   3.452
  445    H    MET  65           HN       MET  65  -5.582  -4.609  -1.088
  446    HA   MET  65           HA       MET  65  -4.385  -7.186  -1.857
  447    HB2  MET  65           HB2      MET  65  -6.744  -5.825  -3.166
  448    HB3  MET  65           HB1      MET  65  -5.901  -7.231  -3.820
  449    HG2  MET  65           HG2      MET  65  -6.548  -8.545  -1.882
  450    HG3  MET  65           HG1      MET  65  -7.352  -7.141  -1.179
  451    HE1  MET  65           HE1      MET  65  -7.373  -8.023  -5.022
  452    HE2  MET  65           HE2      MET  65  -8.748  -9.122  -5.113
  453    HE3  MET  65           HE3      MET  65  -7.291  -9.602  -4.243
  454    H    CYS  66           HN       CYS  66  -4.029  -3.897  -1.962
  455    HA   CYS  66           HA       CYS  66  -1.935  -4.010  -3.860
  456    HB2  CYS  66           HB2      CYS  66  -2.821  -2.753  -5.672
  457    HB3  CYS  66           HB1      CYS  66  -4.042  -3.971  -5.329
  458    HA   PRO  67           HA       PRO  67  -0.771  -0.426  -1.606
  459    HB2  PRO  67           HB2      PRO  67   0.364   0.949  -3.923
  460    HB3  PRO  67           HB1      PRO  67   1.197   0.173  -2.573
  461    HG2  PRO  67           HG2      PRO  67   1.258  -0.836  -5.073
  462    HG3  PRO  67           HG1      PRO  67   1.289  -1.865  -3.628
  463    HD2  PRO  67           HD2      PRO  67  -1.039  -1.192  -5.415
  464    HD3  PRO  67           HD1      PRO  67  -0.557  -2.772  -4.742
  465    H    SER  68           HN       SER  68  -3.335  -0.150  -3.509
  466    HA   SER  68           HA       SER  68  -3.449   2.749  -3.687
  467    HB2  SER  68           HB2      SER  68  -5.572   0.699  -4.382
  468    HB3  SER  68           HB1      SER  68  -5.596   2.415  -4.791
  469    HG   SER  68           HG       SER  68  -3.514   1.922  -5.903
  470    H    SER  69           HN       SER  69  -3.777   3.757  -1.823
  471    HA   SER  69           HA       SER  69  -5.857   2.718  -0.018
  472    HB2  SER  69           HB2      SER  69  -4.625   4.232   1.678
  473    HB3  SER  69           HB1      SER  69  -3.835   2.726   1.203
  474    HG   SER  69           HG       SER  69  -3.320   5.188  -0.109
  475    H    PHE  70           HN       PHE  70  -7.065   4.479   1.202
  476    HA   PHE  70           HA       PHE  70  -7.414   6.865  -0.473
  477    HB2  PHE  70           HB2      PHE  70  -9.684   5.080   0.432
  478    HB3  PHE  70           HB1      PHE  70  -9.840   6.579  -0.487
  479    HD1  PHE  70           HD1      PHE  70  -8.786   6.660  -2.807
  480    HD2  PHE  70           HD2      PHE  70  -9.423   3.050  -0.650
  481    HE1  PHE  70           HE1      PHE  70  -8.630   5.384  -4.906
  482    HE2  PHE  70           HE2      PHE  70  -9.265   1.765  -2.742
  483    HZ   PHE  70           HZ       PHE  70  -8.867   2.931  -4.873
  484    H    CYS  71           HN       CYS  71  -8.382   8.629   0.561
  485    HA   CYS  71           HA       CYS  71  -7.943   8.777   3.403
  486    HB2  CYS  71           HB2      CYS  71  -8.487  11.123   3.160
  487    HB3  CYS  71           HB1      CYS  71  -7.440  10.651   1.826
  488    H    LYS  72           HN       LYS  72  -9.833  10.155   4.590
  489    HA   LYS  72           HA       LYS  72 -11.911   8.351   5.045
  490    HB2  LYS  72           HB2      LYS  72 -11.860  11.318   5.587
  491    HB3  LYS  72           HB1      LYS  72 -13.020  10.187   6.264
  492    HG2  LYS  72           HG2      LYS  72 -11.286   9.056   7.485
  493    HG3  LYS  72           HG1      LYS  72 -10.049  10.041   6.703
  494    HD2  LYS  72           HD2      LYS  72 -11.064  12.052   7.721
  495    HD3  LYS  72           HD1      LYS  72 -12.204  11.009   8.573
  496    HE2  LYS  72           HE2      LYS  72 -10.422   9.947   9.772
  497    HE3  LYS  72           HE1      LYS  72  -9.214  10.801   8.820
  498    HZ1  LYS  72           HZ1      LYS  72 -10.033  12.891   9.769
  499    HZ2  LYS  72           HZ2      LYS  72  -9.464  11.837  10.960
  500    HZ3  LYS  72           HZ3      LYS  72 -11.127  12.027  10.729
  501    H    GLN  73           HN       GLN  73 -11.728  11.116   2.887
  502    HA   GLN  73           HA       GLN  73 -14.506  11.116   2.221
  503    HB2  GLN  73           HB2      GLN  73 -12.150  12.365   0.819
  504    HB3  GLN  73           HB1      GLN  73 -13.830  12.664   0.402
  505    HG2  GLN  73           HG2      GLN  73 -14.145  13.519   2.745
  506    HG3  GLN  73           HG1      GLN  73 -12.394  13.412   2.935
  507   HE21  GLN  73          HE21      GLN  73 -15.017  15.069   1.385
  508   HE22  GLN  73          HE22      GLN  73 -14.092  16.411   0.807
  509    H    HIS  74           HN       HIS  74 -11.585   9.971   0.568
  510    HA   HIS  74           HA       HIS  74 -13.224   9.134  -1.685
  511    HB2  HIS  74           HB2      HIS  74 -10.214   9.214  -1.351
  512    HB3  HIS  74           HB1      HIS  74 -11.051   8.723  -2.829
  513    HD2  HIS  74           HD2      HIS  74 -13.252  11.112  -2.923
  514    HE1  HIS  74           HE1      HIS  74  -9.886  13.655  -2.854
  515    HE2  HIS  74           HE2      HIS  74 -12.305  13.435  -3.565
  516    H    ARG  75           HN       ARG  75 -12.668   7.695   1.099
  517    HA   ARG  75           HA       ARG  75 -12.042   5.058   0.053
  518    HB2  ARG  75           HB2      ARG  75 -12.221   4.266   2.327
  519    HB3  ARG  75           HB1      ARG  75 -11.241   5.725   2.306
  520    HG2  ARG  75           HG2      ARG  75 -13.223   7.012   3.028
  521    HG3  ARG  75           HG1      ARG  75 -14.121   5.500   3.146
  522    HD2  ARG  75           HD2      ARG  75 -12.584   4.688   4.835
  523    HD3  ARG  75           HD1      ARG  75 -11.602   6.142   4.681
  524    HE   ARG  75           HE       ARG  75 -14.050   7.120   5.294
  525   HH11  ARG  75          HH11      ARG  75 -12.055   4.655   6.788
  526   HH12  ARG  75          HH12      ARG  75 -12.639   4.975   8.388
  527   HH21  ARG  75          HH21      ARG  75 -14.822   7.539   7.382
  528   HH22  ARG  75          HH22      ARG  75 -14.230   6.609   8.724
  529    H    GLU  76           HN       GLU  76 -14.793   6.973   0.892
  530    HA   GLU  76           HA       GLU  76 -16.639   4.855   1.232
  531    HB2  GLU  76           HB2      GLU  76 -17.051   7.772   0.586
  532    HB3  GLU  76           HB1      GLU  76 -18.360   6.652   0.944
  533    HG2  GLU  76           HG2      GLU  76 -17.345   6.239   3.158
  534    HG3  GLU  76           HG1      GLU  76 -16.119   7.449   2.794
  535    H    GLY  77           HN       GLY  77 -17.580   3.621  -0.251
  536    HA2  GLY  77           HA2      GLY  77 -18.508   2.999  -2.276
  537    HA3  GLY  77           HA1      GLY  77 -18.163   4.610  -2.892
  538    H    MET  78           HN       MET  78 -15.297   3.716  -1.677
  539    HA   MET  78           HA       MET  78 -14.458   2.574  -4.258
  540    HB2  MET  78           HB2      MET  78 -12.930   4.302  -2.303
  541    HB3  MET  78           HB1      MET  78 -12.196   3.517  -3.696
  542    HG2  MET  78           HG2      MET  78 -14.410   5.565  -3.784
  543    HG3  MET  78           HG1      MET  78 -12.711   5.852  -4.168
  544    HE1  MET  78           HE1      MET  78 -13.380   6.899  -6.503
  545    HE2  MET  78           HE2      MET  78 -15.083   6.641  -6.121
  546    HE3  MET  78           HE3      MET  78 -14.436   6.100  -7.669
  547    H    LEU  79           HN       LEU  79 -14.112   2.235  -0.756
  548    HA   LEU  79           HA       LEU  79 -12.626  -0.260  -1.257
  549    HB2  LEU  79           HB2      LEU  79 -11.539   1.683   0.045
  550    HB3  LEU  79           HB1      LEU  79 -12.658   1.274   1.333
  551    HG   LEU  79           HG       LEU  79 -11.663  -0.973   1.483
  552   HD11  LEU  79          HD11      LEU  79 -10.904  -1.250  -0.807
  553   HD12  LEU  79          HD12      LEU  79  -9.558  -1.439   0.311
  554   HD13  LEU  79          HD13      LEU  79  -9.744   0.057  -0.601
  555   HD21  LEU  79          HD21      LEU  79  -9.767   1.357   1.671
  556   HD22  LEU  79          HD22      LEU  79  -9.451  -0.235   2.357
  557   HD23  LEU  79          HD23      LEU  79 -10.814   0.721   2.940
  558    H    PHE  80           HN       PHE  80 -13.343  -2.141  -0.299
  559    HA   PHE  80           HA       PHE  80 -15.604  -2.067   1.536
  560    HB2  PHE  80           HB2      PHE  80 -16.849  -3.725   0.072
  561    HB3  PHE  80           HB1      PHE  80 -16.785  -2.081  -0.546
  562    HD1  PHE  80           HD1      PHE  80 -15.874  -1.612  -2.651
  563    HD2  PHE  80           HD2      PHE  80 -15.270  -5.450  -0.905
  564    HE1  PHE  80           HE1      PHE  80 -14.965  -2.435  -4.778
  565    HE2  PHE  80           HE2      PHE  80 -14.359  -6.274  -3.033
  566    HZ   PHE  80           HZ       PHE  80 -14.205  -4.765  -4.974
  567    H    ILE  81           HN       ILE  81 -16.136  -4.340   2.297
  568    HA   ILE  81           HA       ILE  81 -13.619  -5.706   2.807
  569    HB   ILE  81           HB       ILE  81 -16.356  -5.976   4.028
  570   HG12  ILE  81          HG12      ILE  81 -14.911  -4.054   4.698
  571   HG13  ILE  81          HG11      ILE  81 -15.298  -5.142   6.025
  572   HG21  ILE  81          HG21      ILE  81 -13.905  -7.632   4.579
  573   HG22  ILE  81          HG22      ILE  81 -15.448  -8.200   3.936
  574   HG23  ILE  81          HG23      ILE  81 -15.347  -7.602   5.593
  575   HD11  ILE  81          HD11      ILE  81 -13.090  -6.192   5.763
  576   HD12  ILE  81          HD12      ILE  81 -13.000  -4.477   6.161
  577   HD13  ILE  81          HD13      ILE  81 -12.707  -5.012   4.509
  578    H    SER  82           HN       SER  82 -13.022  -7.541   1.918
  579    HA   SER  82           HA       SER  82 -14.712  -8.924   0.039
  580    HB2  SER  82           HB2      SER  82 -12.356  -8.758  -0.477
  581    HB3  SER  82           HB1      SER  82 -11.918  -9.461   1.080
  582    HG   SER  82           HG       SER  82 -12.731 -10.680  -1.251
  583    H    LYS  83           HN       LYS  83 -15.974 -10.637   0.493
  584    HA   LYS  83           HA       LYS  83 -16.212 -11.562   3.190
  585    HB2  LYS  83           HB2      LYS  83 -17.493 -12.574   0.650
  586    HB3  LYS  83           HB1      LYS  83 -17.928 -13.084   2.276
  587    HG2  LYS  83           HG2      LYS  83 -18.555 -10.754   2.802
  588    HG3  LYS  83           HG1      LYS  83 -18.206 -10.312   1.132
  589    HD2  LYS  83           HD2      LYS  83 -20.569 -10.646   1.340
  590    HD3  LYS  83           HD1      LYS  83 -19.903 -11.982   0.403
  591    HE2  LYS  83           HE2      LYS  83 -21.528 -12.802   2.009
  592    HE3  LYS  83           HE1      LYS  83 -19.918 -13.389   2.415
  593    HZ1  LYS  83           HZ1      LYS  83 -19.756 -11.660   4.098
  594    HZ2  LYS  83           HZ2      LYS  83 -21.103 -12.639   4.376
  595    HZ3  LYS  83           HZ3      LYS  83 -21.302 -11.099   3.708
  596    H    LEU  84           HN       LEU  84 -14.064 -12.287   0.788
  597    HA   LEU  84           HA       LEU  84 -13.839 -15.113   1.138
  598    HB2  LEU  84           HB2      LEU  84 -11.879 -13.131  -0.003
  599    HB3  LEU  84           HB1      LEU  84 -11.757 -14.873  -0.144
  600    HG   LEU  84           HG       LEU  84 -13.947 -13.171  -1.342
  601   HD11  LEU  84          HD11      LEU  84 -12.910 -13.711  -3.482
  602   HD12  LEU  84          HD12      LEU  84 -11.619 -14.573  -2.646
  603   HD13  LEU  84          HD13      LEU  84 -11.793 -12.831  -2.439
  604   HD21  LEU  84          HD21      LEU  84 -13.372 -16.121  -1.581
  605   HD22  LEU  84          HD22      LEU  84 -14.569 -15.235  -2.525
  606   HD23  LEU  84          HD23      LEU  84 -14.759 -15.385  -0.779
  607    H    ASP  85           HN       ASP  85 -11.799 -12.367   2.148
  608    HA   ASP  85           HA       ASP  85 -10.735 -14.091   4.287
  609    HB2  ASP  85           HB2      ASP  85  -9.218 -12.046   2.662
  610    HB3  ASP  85           HB1      ASP  85  -8.574 -12.891   4.064
  611    H    GLY  86           HN       GLY  86 -12.628 -11.491   3.789
  612    HA2  GLY  86           HA2      GLY  86 -13.399  -9.874   5.240
  613    HA3  GLY  86           HA1      GLY  86 -12.293 -10.499   6.455
  614    H    ARG  87           HN       ARG  87 -10.924  -9.715   3.438
  615    HA   ARG  87           HA       ARG  87  -9.453  -7.535   4.688
  616    HB2  ARG  87           HB2      ARG  87  -9.002  -9.099   2.145
  617    HB3  ARG  87           HB1      ARG  87  -7.977  -7.772   2.674
  618    HG2  ARG  87           HG2      ARG  87  -7.407  -9.000   4.697
  619    HG3  ARG  87           HG1      ARG  87  -8.457 -10.326   4.192
  620    HD2  ARG  87           HD2      ARG  87  -7.076 -10.632   2.188
  621    HD3  ARG  87           HD1      ARG  87  -6.016  -9.331   2.733
  622    HE   ARG  87           HE       ARG  87  -5.720 -10.853   4.783
  623   HH11  ARG  87          HH11      ARG  87  -6.192 -11.998   1.505
  624   HH12  ARG  87          HH12      ARG  87  -5.306 -13.468   1.758
  625   HH21  ARG  87          HH21      ARG  87  -4.552 -12.794   5.112
  626   HH22  ARG  87          HH22      ARG  87  -4.382 -13.923   3.807
  627    H    LEU  88           HN       LEU  88  -9.210  -5.519   3.739
  628    HA   LEU  88           HA       LEU  88 -11.495  -4.515   2.349
  629    HB2  LEU  88           HB2      LEU  88  -8.841  -3.268   3.051
  630    HB3  LEU  88           HB1      LEU  88 -10.152  -2.396   2.293
  631    HG   LEU  88           HG       LEU  88 -10.563  -3.785   4.916
  632   HD11  LEU  88          HD11      LEU  88  -8.603  -2.331   5.165
  633   HD12  LEU  88          HD12      LEU  88  -9.995  -1.701   6.047
  634   HD13  LEU  88          HD13      LEU  88  -9.527  -0.980   4.508
  635   HD21  LEU  88          HD21      LEU  88 -12.275  -2.042   5.170
  636   HD22  LEU  88          HD22      LEU  88 -12.541  -3.010   3.722
  637   HD23  LEU  88          HD23      LEU  88 -11.843  -1.397   3.587
  638    H    SER  89           HN       SER  89 -11.827  -4.379   0.235
  639    HA   SER  89           HA       SER  89  -9.502  -4.536  -1.568
  640    HB2  SER  89           HB2      SER  89 -10.834  -6.652  -1.518
  641    HB3  SER  89           HB1      SER  89 -12.236  -5.741  -2.076
  642    HG   SER  89           HG       SER  89 -10.150  -6.726  -3.488
  643    H    CYS  90           HN       CYS  90  -9.444  -3.067  -3.193
  644    HA   CYS  90           HA       CYS  90 -11.340  -0.884  -3.061
  645    HB2  CYS  90           HB2      CYS  90  -9.788   0.334  -4.447
  646    HB3  CYS  90           HB1      CYS  90  -8.852  -0.526  -3.224
  647    H    THR  91           HN       THR  91 -12.085   0.114  -5.153
  648    HA   THR  91           HA       THR  91 -13.605  -1.825  -6.596
  649    HB   THR  91           HB       THR  91 -14.343   0.273  -7.878
  650    HG1  THR  91           HG1      THR  91 -13.821   2.134  -6.249
  651   HG21  THR  91          HG21      THR  91 -14.735   0.106  -4.890
  652   HG22  THR  91          HG22      THR  91 -15.669  -0.754  -6.113
  653   HG23  THR  91          HG23      THR  91 -15.761   1.003  -6.011
  654    H    GLU  92           HN       GLU  92 -10.501  -1.278  -6.963
  655    HA   GLU  92           HA       GLU  92 -10.499  -1.152  -9.884
  656    HB2  GLU  92           HB2      GLU  92  -8.258  -1.122  -7.856
  657    HB3  GLU  92           HB1      GLU  92  -8.006  -1.142  -9.595
  658    HG2  GLU  92           HG2      GLU  92  -9.465   1.008  -8.082
  659    HG3  GLU  92           HG1      GLU  92  -7.791   1.103  -8.628
  660    H    HIS  93           HN       HIS  93 -11.250  -3.444  -7.887
  661    HA   HIS  93           HA       HIS  93  -9.630  -5.515  -9.219
  662    HB2  HIS  93           HB2      HIS  93 -10.688  -5.595  -6.382
  663    HB3  HIS  93           HB1      HIS  93  -9.791  -6.879  -7.177
  664    HD1  HIS  93           HD1      HIS  93  -7.774  -4.412  -8.357
  665    HD2  HIS  93           HD2      HIS  93  -8.617  -5.630  -4.478
  666    HE1  HIS  93           HE1      HIS  93  -5.836  -3.626  -6.925
  667    H    ASP  94           HN       ASP  94 -11.750  -4.942 -10.575
  668    HA   ASP  94           HA       ASP  94 -14.011  -6.554  -9.675
  669    HB2  ASP  94           HB2      ASP  94 -13.657  -4.788 -12.107
  670    HB3  ASP  94           HB1      ASP  94 -15.104  -5.734 -11.783
  Start of MODEL    4
    1    H1   GLY   1           HT1      GLY   1  10.108   1.507  16.400
    2    H2   GLY   1           HT2      GLY   1   9.894  -0.113  15.977
    3    H3   GLY   1           HT3      GLY   1   8.684   1.010  15.640
    4    HA2  GLY   1           HA1      GLY   1  10.131   2.158  14.084
    5    HA3  GLY   1           HA2      GLY   1  11.390   0.978  14.428
    6    H    ALA   2           HN       ALA   2  11.583  -0.098  12.541
    7    HA   ALA   2           HA       ALA   2   9.133  -1.292  11.427
    8    HB1  ALA   2           HB1      ALA   2  11.753  -0.753  10.034
    9    HB2  ALA   2           HB2      ALA   2  10.282   0.205   9.872
   10    HB3  ALA   2           HB3      ALA   2  10.316  -1.462   9.301
   11    H    MET   3           HN       MET   3   9.395  -2.877  13.186
   12    HA   MET   3           HA       MET   3  11.595  -4.746  12.985
   13    HB2  MET   3           HB2      MET   3  10.723  -4.287  15.188
   14    HB3  MET   3           HB1      MET   3   9.097  -4.725  14.687
   15    HG2  MET   3           HG2      MET   3  10.100  -6.473  16.031
   16    HG3  MET   3           HG1      MET   3   9.798  -7.034  14.389
   17    HE1  MET   3           HE1      MET   3  11.698  -8.538  16.482
   18    HE2  MET   3           HE2      MET   3  13.032  -8.987  15.418
   19    HE3  MET   3           HE3      MET   3  11.368  -9.116  14.849
   20    H    GLU   4           HN       GLU   4   8.056  -5.078  12.778
   21    HA   GLU   4           HA       GLU   4   8.285  -7.587  11.390
   22    HB2  GLU   4           HB2      GLU   4   5.860  -5.865  11.927
   23    HB3  GLU   4           HB1      GLU   4   5.826  -7.511  11.317
   24    HG2  GLU   4           HG2      GLU   4   6.818  -8.306  13.395
   25    HG3  GLU   4           HG1      GLU   4   6.867  -6.652  14.003
   26    H    ARG   5           HN       ARG   5   9.172  -7.359   9.401
   27    HA   ARG   5           HA       ARG   5   7.718  -5.622   7.516
   28    HB2  ARG   5           HB2      ARG   5  10.666  -6.288   7.464
   29    HB3  ARG   5           HB1      ARG   5   9.814  -5.317   6.273
   30    HG2  ARG   5           HG2      ARG   5   9.333  -3.642   7.988
   31    HG3  ARG   5           HG1      ARG   5  10.198  -4.620   9.179
   32    HD2  ARG   5           HD2      ARG   5  11.347  -3.356   6.693
   33    HD3  ARG   5           HD1      ARG   5  11.646  -2.867   8.361
   34    HE   ARG   5           HE       ARG   5  12.601  -5.240   8.571
   35   HH11  ARG   5          HH11      ARG   5  12.742  -3.299   5.672
   36   HH12  ARG   5          HH12      ARG   5  14.195  -4.042   5.086
   37   HH21  ARG   5          HH21      ARG   5  14.515  -6.237   7.798
   38   HH22  ARG   5          HH22      ARG   5  15.198  -5.718   6.287
   39    H    GLU   6           HN       GLU   6   6.771  -6.715   5.916
   40    HA   GLU   6           HA       GLU   6   7.323  -9.510   5.508
   41    HB2  GLU   6           HB2      GLU   6   5.540  -7.585   3.998
   42    HB3  GLU   6           HB1      GLU   6   5.575  -9.328   3.757
   43    HG2  GLU   6           HG2      GLU   6   4.800  -9.703   6.007
   44    HG3  GLU   6           HG1      GLU   6   4.877  -7.978   6.353
   45    H    ASP   7           HN       ASP   7   9.140 -10.066   4.482
   46    HA   ASP   7           HA       ASP   7  10.487  -8.234   2.730
   47    HB2  ASP   7           HB2      ASP   7  11.683  -9.728   4.323
   48    HB3  ASP   7           HB1      ASP   7  11.189 -11.108   3.346
   49    H    GLU   8           HN       GLU   8   8.636  -8.155   1.275
   50    HA   GLU   8           HA       GLU   8   9.166  -9.557  -1.133
   51    HB2  GLU   8           HB2      GLU   8   7.876 -11.314   0.043
   52    HB3  GLU   8           HB1      GLU   8   6.569 -10.171   0.305
   53    HG2  GLU   8           HG2      GLU   8   6.152 -10.038  -2.065
   54    HG3  GLU   8           HG1      GLU   8   7.540 -11.075  -2.397
   55    H    CYS   9           HN       CYS   9   7.839  -8.621  -2.879
   56    HA   CYS   9           HA       CYS   9   7.005  -5.934  -2.195
   57    HB2  CYS   9           HB2      CYS   9   8.283  -6.220  -4.239
   58    HB3  CYS   9           HB1      CYS   9   7.090  -7.374  -4.842
   59    H    PHE  10           HN       PHE  10   5.027  -5.541  -1.547
   60    HA   PHE  10           HA       PHE  10   2.903  -7.405  -1.801
   61    HB2  PHE  10           HB2      PHE  10   3.055  -5.858   0.086
   62    HB3  PHE  10           HB1      PHE  10   2.876  -4.484  -0.998
   63    HD1  PHE  10           HD1      PHE  10   0.781  -3.609  -1.418
   64    HD2  PHE  10           HD2      PHE  10   1.118  -7.554   0.148
   65    HE1  PHE  10           HE1      PHE  10  -1.656  -3.699  -1.127
   66    HE2  PHE  10           HE2      PHE  10  -1.322  -7.649   0.438
   67    HZ   PHE  10           HZ       PHE  10  -2.707  -5.715  -0.199
   68    H    SER  11           HN       SER  11   4.056  -4.877  -3.850
   69    HA   SER  11           HA       SER  11   1.597  -4.456  -5.262
   70    HB2  SER  11           HB2      SER  11   4.420  -3.768  -6.105
   71    HB3  SER  11           HB1      SER  11   2.940  -3.144  -6.829
   72    HG   SER  11           HG       SER  11   3.332  -1.600  -5.424
   73    H    CYS  12           HN       CYS  12   4.527  -6.372  -5.839
   74    HA   CYS  12           HA       CYS  12   3.362  -7.287  -8.379
   75    HB2  CYS  12           HB2      CYS  12   6.210  -7.607  -7.418
   76    HB3  CYS  12           HB1      CYS  12   5.599  -7.928  -9.039
   77    H    GLY  13           HN       GLY  13   4.322  -8.380  -5.222
   78    HA2  GLY  13           HA2      GLY  13   3.803 -10.426  -4.228
   79    HA3  GLY  13           HA1      GLY  13   3.329 -11.047  -5.806
   80    H    ASP  14           HN       ASP  14   6.237  -9.513  -6.089
   81    HA   ASP  14           HA       ASP  14   7.710 -12.047  -5.881
   82    HB2  ASP  14           HB2      ASP  14   7.923  -9.767  -7.828
   83    HB3  ASP  14           HB1      ASP  14   9.281 -10.856  -7.568
   84    H    ALA  15           HN       ALA  15  10.046 -11.808  -5.473
   85    HA   ALA  15           HA       ALA  15  10.609  -9.526  -3.703
   86    HB1  ALA  15           HB1      ALA  15  12.019 -11.001  -2.371
   87    HB2  ALA  15           HB2      ALA  15  11.582 -12.361  -3.408
   88    HB3  ALA  15           HB3      ALA  15  10.352 -11.573  -2.420
   89    H    GLY  16           HN       GLY  16  12.907  -8.955  -3.568
   90    HA2  GLY  16           HA2      GLY  16  15.004  -9.716  -5.063
   91    HA3  GLY  16           HA1      GLY  16  14.002  -8.872  -6.237
   92    H    GLN  17           HN       GLN  17  14.644  -6.841  -6.541
   93    HA   GLN  17           HA       GLN  17  16.216  -5.459  -4.571
   94    HB2  GLN  17           HB2      GLN  17  16.623  -5.204  -7.005
   95    HB3  GLN  17           HB1      GLN  17  15.054  -4.427  -7.164
   96    HG2  GLN  17           HG2      GLN  17  15.785  -2.614  -5.730
   97    HG3  GLN  17           HG1      GLN  17  17.344  -3.402  -5.503
   98   HE21  GLN  17          HE21      GLN  17  15.306  -1.656  -7.712
   99   HE22  GLN  17          HE22      GLN  17  16.542  -1.282  -8.865
  100    H    LEU  18           HN       LEU  18  14.845  -5.322  -2.808
  101    HA   LEU  18           HA       LEU  18  12.303  -3.914  -3.154
  102    HB2  LEU  18           HB2      LEU  18  13.368  -5.589  -0.887
  103    HB3  LEU  18           HB1      LEU  18  11.834  -4.739  -0.841
  104    HG   LEU  18           HG       LEU  18  12.477  -6.841  -2.898
  105   HD11  LEU  18          HD11      LEU  18  12.589  -7.869  -0.709
  106   HD12  LEU  18          HD12      LEU  18  11.110  -8.358  -1.536
  107   HD13  LEU  18          HD13      LEU  18  11.048  -7.138  -0.266
  108   HD21  LEU  18          HD21      LEU  18  10.692  -5.233  -3.440
  109   HD22  LEU  18          HD22      LEU  18   9.857  -5.702  -1.960
  110   HD23  LEU  18          HD23      LEU  18  10.098  -6.879  -3.247
  111    H    VAL  19           HN       VAL  19  11.695  -2.227  -1.830
  112    HA   VAL  19           HA       VAL  19  13.728  -1.088  -0.047
  113    HB   VAL  19           HB       VAL  19  13.633   0.398  -1.941
  114   HG11  VAL  19          HG11      VAL  19  10.646   0.471  -1.554
  115   HG12  VAL  19          HG12      VAL  19  11.514  -0.259  -2.905
  116   HG13  VAL  19          HG13      VAL  19  11.558   1.488  -2.671
  117   HG21  VAL  19          HG21      VAL  19  13.819   1.483   0.208
  118   HG22  VAL  19          HG22      VAL  19  12.065   1.520   0.375
  119   HG23  VAL  19          HG23      VAL  19  12.851   2.480  -0.878
  120    H    SER  20           HN       SER  20  13.021  -0.751   1.979
  121    HA   SER  20           HA       SER  20  10.272  -1.561   2.537
  122    HB2  SER  20           HB2      SER  20  12.036  -2.772   3.714
  123    HB3  SER  20           HB1      SER  20  12.671  -1.266   4.366
  124    HG   SER  20           HG       SER  20  10.793  -1.034   5.579
  125    H    CYS  21           HN       CYS  21   8.902  -0.372   3.885
  126    HA   CYS  21           HA       CYS  21   9.198   2.484   3.728
  127    HB2  CYS  21           HB2      CYS  21   6.988   1.204   3.618
  128    HB3  CYS  21           HB1      CYS  21   7.156   0.952   5.355
  129    H    LYS  22           HN       LYS  22  10.229   3.716   5.189
  130    HA   LYS  22           HA       LYS  22  11.226   2.436   7.594
  131    HB2  LYS  22           HB2      LYS  22  11.825   5.146   6.390
  132    HB3  LYS  22           HB1      LYS  22  12.619   4.479   7.813
  133    HG2  LYS  22           HG2      LYS  22  13.468   2.621   6.471
  134    HG3  LYS  22           HG1      LYS  22  12.674   3.287   5.047
  135    HD2  LYS  22           HD2      LYS  22  14.068   5.286   5.194
  136    HD3  LYS  22           HD1      LYS  22  14.847   4.643   6.643
  137    HE2  LYS  22           HE2      LYS  22  15.657   2.724   5.339
  138    HE3  LYS  22           HE1      LYS  22  14.904   3.396   3.895
  139    HZ1  LYS  22           HZ1      LYS  22  16.363   5.301   4.052
  140    HZ2  LYS  22           HZ2      LYS  22  17.274   3.879   4.002
  141    HZ3  LYS  22           HZ3      LYS  22  17.063   4.694   5.465
  142    H    LYS  23           HN       LYS  23   8.422   3.091   7.314
  143    HA   LYS  23           HA       LYS  23   8.054   5.118   9.403
  144    HB2  LYS  23           HB2      LYS  23   6.753   5.311   7.251
  145    HB3  LYS  23           HB1      LYS  23   5.960   3.800   7.668
  146    HG2  LYS  23           HG2      LYS  23   4.525   5.631   8.245
  147    HG3  LYS  23           HG1      LYS  23   5.089   4.847   9.720
  148    HD2  LYS  23           HD2      LYS  23   6.727   6.596  10.064
  149    HD3  LYS  23           HD1      LYS  23   6.283   7.353   8.533
  150    HE2  LYS  23           HE2      LYS  23   4.471   7.013  10.921
  151    HE3  LYS  23           HE1      LYS  23   5.261   8.513  10.431
  152    HZ1  LYS  23           HZ1      LYS  23   3.025   8.520   9.644
  153    HZ2  LYS  23           HZ2      LYS  23   3.205   7.011   8.912
  154    HZ3  LYS  23           HZ3      LYS  23   4.046   8.350   8.300
  155    HA   PRO  24           HA       PRO  24   7.759   1.670  12.248
  156    HB2  PRO  24           HB2      PRO  24   6.322   3.687  13.895
  157    HB3  PRO  24           HB1      PRO  24   7.694   2.661  14.321
  158    HG2  PRO  24           HG2      PRO  24   8.036   5.255  13.843
  159    HG3  PRO  24           HG1      PRO  24   9.230   4.061  13.296
  160    HD2  PRO  24           HD2      PRO  24   7.141   5.516  11.719
  161    HD3  PRO  24           HD1      PRO  24   8.799   5.071  11.257
  162    H    GLY  25           HN       GLY  25   6.271   0.104  12.265
  163    HA2  GLY  25           HA2      GLY  25   4.131  -0.781  12.741
  164    HA3  GLY  25           HA1      GLY  25   3.438   0.815  12.483
  165    H    CYS  26           HN       CYS  26   5.404   0.539   9.933
  166    HA   CYS  26           HA       CYS  26   3.250  -0.510   8.243
  167    HB2  CYS  26           HB2      CYS  26   4.407   1.790   7.918
  168    HB3  CYS  26           HB1      CYS  26   5.748   0.854   7.259
  169    HA   PRO  27           HA       PRO  27   6.043  -4.048   7.960
  170    HB2  PRO  27           HB2      PRO  27   4.180  -5.932   7.661
  171    HB3  PRO  27           HB1      PRO  27   4.369  -5.097   9.211
  172    HG2  PRO  27           HG2      PRO  27   2.322  -4.696   7.069
  173    HG3  PRO  27           HG1      PRO  27   2.122  -4.655   8.836
  174    HD2  PRO  27           HD2      PRO  27   2.423  -2.422   7.165
  175    HD3  PRO  27           HD1      PRO  27   2.635  -2.439   8.931
  176    H    LYS  28           HN       LYS  28   4.861  -2.321   5.583
  177    HA   LYS  28           HA       LYS  28   4.690  -4.458   3.580
  178    HB2  LYS  28           HB2      LYS  28   3.349  -1.880   3.917
  179    HB3  LYS  28           HB1      LYS  28   3.956  -2.135   2.277
  180    HG2  LYS  28           HG2      LYS  28   1.612  -2.890   2.601
  181    HG3  LYS  28           HG1      LYS  28   2.699  -4.168   2.059
  182    HD2  LYS  28           HD2      LYS  28   2.868  -5.003   4.357
  183    HD3  LYS  28           HD1      LYS  28   1.795  -3.715   4.906
  184    HE2  LYS  28           HE2      LYS  28  -0.001  -4.602   3.537
  185    HE3  LYS  28           HE1      LYS  28   1.074  -5.846   2.899
  186    HZ1  LYS  28           HZ1      LYS  28   1.298  -6.749   5.129
  187    HZ2  LYS  28           HZ2      LYS  28  -0.329  -6.717   4.650
  188    HZ3  LYS  28           HZ3      LYS  28   0.251  -5.560   5.736
  189    H    VAL  29           HN       VAL  29   5.994  -4.608   1.883
  190    HA   VAL  29           HA       VAL  29   8.160  -2.642   1.580
  191    HB   VAL  29           HB       VAL  29   8.402  -5.659   1.617
  192   HG11  VAL  29          HG11      VAL  29  10.580  -3.674   1.036
  193   HG12  VAL  29          HG12      VAL  29   9.760  -4.656  -0.179
  194   HG13  VAL  29          HG13      VAL  29  10.718  -5.434   1.085
  195   HG21  VAL  29          HG21      VAL  29   9.725  -3.560   3.324
  196   HG22  VAL  29          HG22      VAL  29   9.928  -5.308   3.463
  197   HG23  VAL  29          HG23      VAL  29   8.366  -4.571   3.818
  198    H    TYR  30           HN       TYR  30   9.004  -2.497  -0.600
  199    HA   TYR  30           HA       TYR  30   7.405  -3.717  -2.727
  200    HB2  TYR  30           HB2      TYR  30   7.632  -0.716  -2.416
  201    HB3  TYR  30           HB1      TYR  30   6.799  -1.567  -3.709
  202    HD1  TYR  30           HD1      TYR  30   4.687  -2.832  -3.170
  203    HD2  TYR  30           HD2      TYR  30   6.549  -0.215  -0.382
  204    HE1  TYR  30           HE1      TYR  30   2.601  -2.739  -1.872
  205    HE2  TYR  30           HE2      TYR  30   4.474  -0.119   0.924
  206    HH   TYR  30           HH       TYR  30   1.929  -2.252   0.509
  207    H    HIS  31           HN       HIS  31   8.283  -3.020  -4.911
  208    HA   HIS  31           HA       HIS  31  11.185  -2.755  -4.834
  209    HB2  HIS  31           HB2      HIS  31   9.343  -2.935  -7.239
  210    HB3  HIS  31           HB1      HIS  31  11.100  -3.022  -7.275
  211    HD2  HIS  31           HD2      HIS  31  11.959  -5.364  -5.565
  212    HE1  HIS  31           HE1      HIS  31   8.633  -7.515  -7.064
  213    HE2  HIS  31           HE2      HIS  31  11.000  -7.709  -6.148
  214    H    ALA  32           HN       ALA  32  12.291  -0.979  -5.618
  215    HA   ALA  32           HA       ALA  32  11.054   1.544  -5.513
  216    HB1  ALA  32           HB1      ALA  32  13.426   1.234  -5.056
  217    HB2  ALA  32           HB2      ALA  32  13.187   2.410  -6.349
  218    HB3  ALA  32           HB3      ALA  32  13.699   0.766  -6.736
  219    H    ASP  33           HN       ASP  33  11.628  -0.727  -8.073
  220    HA   ASP  33           HA       ASP  33  11.245   0.995 -10.273
  221    HB2  ASP  33           HB2      ASP  33  12.280  -1.194 -10.546
  222    HB3  ASP  33           HB1      ASP  33  10.784  -1.986 -10.066
  223    H    CYS  34           HN       CYS  34   8.946  -1.190  -8.624
  224    HA   CYS  34           HA       CYS  34   6.793  -0.439 -10.355
  225    HB2  CYS  34           HB2      CYS  34   5.428  -1.730  -8.575
  226    HB3  CYS  34           HB1      CYS  34   6.635  -2.633  -9.490
  227    H    LEU  35           HN       LEU  35   8.157   0.900  -7.535
  228    HA   LEU  35           HA       LEU  35   5.783   2.414  -6.839
  229    HB2  LEU  35           HB2      LEU  35   8.600   2.448  -5.791
  230    HB3  LEU  35           HB1      LEU  35   7.339   3.512  -5.205
  231    HG   LEU  35           HG       LEU  35   7.234   0.504  -5.051
  232   HD11  LEU  35          HD11      LEU  35   7.535   1.116  -2.559
  233   HD12  LEU  35          HD12      LEU  35   8.223   2.612  -3.185
  234   HD13  LEU  35          HD13      LEU  35   8.949   1.064  -3.610
  235   HD21  LEU  35          HD21      LEU  35   5.525   2.657  -3.808
  236   HD22  LEU  35          HD22      LEU  35   5.408   0.934  -3.460
  237   HD23  LEU  35          HD23      LEU  35   5.029   1.533  -5.073
  238    H    ASN  36           HN       ASN  36   8.116   2.637  -9.157
  239    HA   ASN  36           HA       ASN  36   8.793   4.234 -10.607
  240    HB2  ASN  36           HB2      ASN  36   6.450   5.792  -9.495
  241    HB3  ASN  36           HB1      ASN  36   7.305   6.157 -10.985
  242   HD21  ASN  36          HD21      ASN  36   6.987   4.848 -12.788
  243   HD22  ASN  36          HD22      ASN  36   5.668   3.735 -12.895
  244    H    LEU  37           HN       LEU  37  10.015   4.151  -8.039
  245    HA   LEU  37           HA       LEU  37  10.276   6.783  -6.961
  246    HB2  LEU  37           HB2      LEU  37  11.896   4.284  -6.525
  247    HB3  LEU  37           HB1      LEU  37  12.170   5.782  -5.660
  248    HG   LEU  37           HG       LEU  37   9.723   4.024  -5.507
  249   HD11  LEU  37          HD11      LEU  37  10.379   3.698  -3.211
  250   HD12  LEU  37          HD12      LEU  37  11.735   4.808  -3.405
  251   HD13  LEU  37          HD13      LEU  37  11.728   3.269  -4.263
  252   HD21  LEU  37          HD21      LEU  37   8.912   5.606  -3.822
  253   HD22  LEU  37          HD22      LEU  37   9.041   6.347  -5.416
  254   HD23  LEU  37          HD23      LEU  37  10.266   6.678  -4.189
  255    H    THR  38           HN       THR  38  10.827   7.820  -9.066
  256    HA   THR  38           HA       THR  38  13.409   7.438 -10.187
  257    HB   THR  38           HB       THR  38  11.685   9.924 -10.285
  258    HG1  THR  38           HG1      THR  38  11.278   7.464 -11.292
  259   HG21  THR  38          HG21      THR  38  13.862   8.936 -12.128
  260   HG22  THR  38          HG22      THR  38  13.983  10.303 -11.020
  261   HG23  THR  38          HG23      THR  38  12.868  10.371 -12.384
  262    H    LYS  39           HN       LYS  39  12.134   9.351  -7.547
  263    HA   LYS  39           HA       LYS  39  14.784  10.534  -7.095
  264    HB2  LYS  39           HB2      LYS  39  12.166  11.179  -5.723
  265    HB3  LYS  39           HB1      LYS  39  13.679  12.044  -5.525
  266    HG2  LYS  39           HG2      LYS  39  13.582  12.790  -7.836
  267    HG3  LYS  39           HG1      LYS  39  12.092  11.879  -8.082
  268    HD2  LYS  39           HD2      LYS  39  12.474  14.167  -6.151
  269    HD3  LYS  39           HD1      LYS  39  11.627  14.247  -7.697
  270    HE2  LYS  39           HE2      LYS  39  10.841  12.602  -5.290
  271    HE3  LYS  39           HE1      LYS  39  10.035  14.053  -5.878
  272    HZ1  LYS  39           HZ1      LYS  39   9.492  12.862  -7.924
  273    HZ2  LYS  39           HZ2      LYS  39   8.851  12.088  -6.569
  274    HZ3  LYS  39           HZ3      LYS  39  10.227  11.463  -7.321
  275    H    ARG  40           HN       ARG  40  16.068   9.411  -5.751
  276    HA   ARG  40           HA       ARG  40  15.037   7.429  -3.975
  277    HB2  ARG  40           HB2      ARG  40  17.298   7.270  -4.994
  278    HB3  ARG  40           HB1      ARG  40  17.806   8.645  -4.024
  279    HG2  ARG  40           HG2      ARG  40  17.404   7.385  -1.984
  280    HG3  ARG  40           HG1      ARG  40  16.840   6.010  -2.931
  281    HD2  ARG  40           HD2      ARG  40  19.116   5.623  -2.251
  282    HD3  ARG  40           HD1      ARG  40  19.067   5.875  -3.994
  283    HE   ARG  40           HE       ARG  40  19.585   8.322  -2.690
  284   HH11  ARG  40          HH11      ARG  40  21.105   5.266  -3.438
  285   HH12  ARG  40          HH12      ARG  40  22.712   5.920  -3.434
  286   HH21  ARG  40          HH21      ARG  40  21.701   9.193  -2.688
  287   HH22  ARG  40          HH22      ARG  40  23.049   8.156  -3.033
  288    HA   PRO  41           HA       PRO  41  13.809  10.474  -0.968
  289    HB2  PRO  41           HB2      PRO  41  13.000   8.726   0.953
  290    HB3  PRO  41           HB1      PRO  41  12.030   9.126  -0.467
  291    HG2  PRO  41           HG2      PRO  41  13.808   6.762   0.009
  292    HG3  PRO  41           HG1      PRO  41  12.177   6.812  -0.693
  293    HD2  PRO  41           HD2      PRO  41  14.360   6.626  -2.247
  294    HD3  PRO  41           HD1      PRO  41  12.946   7.576  -2.754
  295    H    ALA  42           HN       ALA  42  14.689  11.423   0.800
  296    HA   ALA  42           HA       ALA  42  16.925  10.030   2.118
  297    HB1  ALA  42           HB1      ALA  42  17.955  12.224   2.463
  298    HB2  ALA  42           HB2      ALA  42  16.613  12.989   1.614
  299    HB3  ALA  42           HB3      ALA  42  17.697  11.901   0.750
  300    H    GLY  43           HN       GLY  43  16.889   9.934   4.329
  301    HA2  GLY  43           HA2      GLY  43  16.201  10.383   6.502
  302    HA3  GLY  43           HA1      GLY  43  15.220  11.703   5.884
  303    H    LYS  44           HN       LYS  44  13.089  11.439   5.846
  304    HA   LYS  44           HA       LYS  44  12.039   8.792   6.502
  305    HB2  LYS  44           HB2      LYS  44  10.923  11.570   6.714
  306    HB3  LYS  44           HB1      LYS  44   9.871  10.165   6.779
  307    HG2  LYS  44           HG2      LYS  44  11.179   9.323   8.699
  308    HG3  LYS  44           HG1      LYS  44  12.134  10.804   8.657
  309    HD2  LYS  44           HD2      LYS  44  10.264  10.804  10.331
  310    HD3  LYS  44           HD1      LYS  44  10.235  12.142   9.184
  311    HE2  LYS  44           HE2      LYS  44   8.006  11.164   9.562
  312    HE3  LYS  44           HE1      LYS  44   8.519  11.044   7.882
  313    HZ1  LYS  44           HZ1      LYS  44   8.332   8.904   9.907
  314    HZ2  LYS  44           HZ2      LYS  44   9.300   8.716   8.538
  315    HZ3  LYS  44           HZ3      LYS  44   7.634   8.964   8.362
  316    H    TRP  45           HN       TRP  45  11.203   7.566   4.971
  317    HA   TRP  45           HA       TRP  45   9.929   8.893   2.691
  318    HB2  TRP  45           HB2      TRP  45  11.779   7.491   1.959
  319    HB3  TRP  45           HB1      TRP  45  11.119   6.119   2.843
  320    HD1  TRP  45           HD1      TRP  45   9.865   8.507   0.034
  321    HE1  TRP  45           HE1      TRP  45   8.535   7.108  -1.659
  322    HE3  TRP  45           HE3      TRP  45  10.207   3.942   2.316
  323    HZ2  TRP  45           HZ2      TRP  45   7.737   4.426  -1.987
  324    HZ3  TRP  45           HZ3      TRP  45   9.130   2.006   1.237
  325    HH2  TRP  45           HH2      TRP  45   7.921   2.248  -0.867
  326    H    GLU  46           HN       GLU  46   7.806   8.929   2.863
  327    HA   GLU  46           HA       GLU  46   6.405   6.836   4.345
  328    HB2  GLU  46           HB2      GLU  46   5.266   9.295   2.995
  329    HB3  GLU  46           HB1      GLU  46   4.463   8.274   4.177
  330    HG2  GLU  46           HG2      GLU  46   6.937   9.865   4.792
  331    HG3  GLU  46           HG1      GLU  46   5.306  10.490   5.013
  332    H    CYS  47           HN       CYS  47   5.825   5.057   3.189
  333    HA   CYS  47           HA       CYS  47   5.898   4.887   0.395
  334    HB2  CYS  47           HB2      CYS  47   4.956   2.704   0.605
  335    HB3  CYS  47           HB1      CYS  47   5.970   2.940   2.021
  336    HA   PRO  48           HA       PRO  48   2.153   6.740  -0.999
  337    HB2  PRO  48           HB2      PRO  48   1.559   5.143  -3.145
  338    HB3  PRO  48           HB1      PRO  48   2.816   6.387  -3.162
  339    HG2  PRO  48           HG2      PRO  48   3.073   3.433  -2.750
  340    HG3  PRO  48           HG1      PRO  48   4.085   4.520  -3.721
  341    HD2  PRO  48           HD2      PRO  48   4.846   3.673  -1.283
  342    HD3  PRO  48           HD1      PRO  48   5.239   5.306  -1.864
  343    H    TRP  49           HN       TRP  49   2.225   3.686   0.349
  344    HA   TRP  49           HA       TRP  49  -0.573   3.040   0.053
  345    HB2  TRP  49           HB2      TRP  49   1.449   1.432   0.494
  346    HB3  TRP  49           HB1      TRP  49   1.236   1.908   2.178
  347    HD1  TRP  49           HD1      TRP  49  -1.409   0.878  -0.492
  348    HE1  TRP  49           HE1      TRP  49  -2.814  -1.047   0.495
  349    HE3  TRP  49           HE3      TRP  49   0.958   0.377   4.016
  350    HZ2  TRP  49           HZ2      TRP  49  -2.909  -2.560   2.875
  351    HZ3  TRP  49           HZ3      TRP  49   0.141  -1.318   5.595
  352    HH2  TRP  49           HH2      TRP  49  -1.758  -2.758   5.035
  353    H    HIS  50           HN       HIS  50   1.120   5.336   1.719
  354    HA   HIS  50           HA       HIS  50  -0.915   5.555   3.826
  355    HB2  HIS  50           HB2      HIS  50   1.624   7.169   3.455
  356    HB3  HIS  50           HB1      HIS  50   0.535   7.236   4.840
  357    HD1  HIS  50           HD1      HIS  50   0.324   4.028   5.136
  358    HD2  HIS  50           HD2      HIS  50   3.785   6.314   4.857
  359    HE1  HIS  50           HE1      HIS  50   2.163   2.678   6.240
  360    H    GLN  51           HN       GLN  51  -0.830   6.271   0.759
  361    HA   GLN  51           HA       GLN  51  -1.765   9.046   1.061
  362    HB2  GLN  51           HB2      GLN  51  -0.240   7.854  -1.261
  363    HB3  GLN  51           HB1      GLN  51  -0.918   9.476  -1.222
  364    HG2  GLN  51           HG2      GLN  51   1.094   8.490   0.771
  365    HG3  GLN  51           HG1      GLN  51   1.533   9.307  -0.728
  366   HE21  GLN  51          HE21      GLN  51  -0.023   9.669   2.393
  367   HE22  GLN  51          HE22      GLN  51   0.009  11.398   2.406
  368    H    CYS  52           HN       CYS  52  -3.682   9.535   0.258
  369    HA   CYS  52           HA       CYS  52  -5.426   7.492  -0.637
  370    HB2  CYS  52           HB2      CYS  52  -6.224   9.453   0.588
  371    HB3  CYS  52           HB1      CYS  52  -5.714  10.500  -0.729
  372    H    ASP  53           HN       ASP  53  -5.620   6.666  -2.582
  373    HA   ASP  53           HA       ASP  53  -4.057   7.395  -4.780
  374    HB2  ASP  53           HB2      ASP  53  -4.993   5.149  -4.512
  375    HB3  ASP  53           HB1      ASP  53  -6.623   5.778  -4.711
  376    H    VAL  54           HN       VAL  54  -7.032   8.720  -3.684
  377    HA   VAL  54           HA       VAL  54  -7.744   9.758  -6.302
  378    HB   VAL  54           HB       VAL  54  -9.136  10.098  -3.644
  379   HG11  VAL  54          HG11      VAL  54 -11.025  10.913  -4.953
  380   HG12  VAL  54          HG12      VAL  54 -10.056  10.808  -6.422
  381   HG13  VAL  54          HG13      VAL  54  -9.610  11.949  -5.152
  382   HG21  VAL  54          HG21      VAL  54  -9.193   7.797  -4.376
  383   HG22  VAL  54          HG22      VAL  54  -9.712   8.293  -5.988
  384   HG23  VAL  54          HG23      VAL  54 -10.783   8.529  -4.606
  385    H    CYS  55           HN       CYS  55  -7.079  11.180  -3.059
  386    HA   CYS  55           HA       CYS  55  -6.757  13.744  -4.457
  387    HB2  CYS  55           HB2      CYS  55  -7.269  14.842  -2.339
  388    HB3  CYS  55           HB1      CYS  55  -8.542  13.729  -2.816
  389    H    GLY  56           HN       GLY  56  -4.907  11.381  -2.910
  390    HA2  GLY  56           HA2      GLY  56  -2.615  11.349  -2.620
  391    HA3  GLY  56           HA1      GLY  56  -2.568  13.039  -3.099
  392    H    LYS  57           HN       LYS  57  -4.817  12.850  -0.693
  393    HA   LYS  57           HA       LYS  57  -2.933  13.915   1.219
  394    HB2  LYS  57           HB2      LYS  57  -5.932  13.624   1.317
  395    HB3  LYS  57           HB1      LYS  57  -4.975  14.311   2.619
  396    HG2  LYS  57           HG2      LYS  57  -4.180  16.064   1.095
  397    HG3  LYS  57           HG1      LYS  57  -5.193  15.388  -0.184
  398    HD2  LYS  57           HD2      LYS  57  -7.187  15.852   1.076
  399    HD3  LYS  57           HD1      LYS  57  -6.237  16.357   2.474
  400    HE2  LYS  57           HE2      LYS  57  -7.081  18.300   1.301
  401    HE3  LYS  57           HE1      LYS  57  -5.326  18.223   1.157
  402    HZ1  LYS  57           HZ1      LYS  57  -5.574  17.328  -1.061
  403    HZ2  LYS  57           HZ2      LYS  57  -6.396  18.799  -0.938
  404    HZ3  LYS  57           HZ3      LYS  57  -7.260  17.346  -0.919
  405    H    GLU  58           HN       GLU  58  -3.701  13.278   3.614
  406    HA   GLU  58           HA       GLU  58  -2.507  10.867   4.208
  407    HB2  GLU  58           HB2      GLU  58  -2.935  12.775   5.773
  408    HB3  GLU  58           HB1      GLU  58  -4.613  12.265   5.865
  409    HG2  GLU  58           HG2      GLU  58  -3.573  11.413   7.784
  410    HG3  GLU  58           HG1      GLU  58  -3.768  10.042   6.693
  411    H    ALA  59           HN       ALA  59  -3.121   8.859   3.787
  412    HA   ALA  59           HA       ALA  59  -5.862   8.193   3.211
  413    HB1  ALA  59           HB1      ALA  59  -4.095   7.137   1.944
  414    HB2  ALA  59           HB2      ALA  59  -4.996   5.924   2.853
  415    HB3  ALA  59           HB3      ALA  59  -3.411   6.455   3.420
  416    H    ALA  60           HN       ALA  60  -7.217   6.895   4.387
  417    HA   ALA  60           HA       ALA  60  -6.484   6.525   7.212
  418    HB1  ALA  60           HB1      ALA  60  -9.218   6.853   5.979
  419    HB2  ALA  60           HB2      ALA  60  -8.327   8.086   6.873
  420    HB3  ALA  60           HB3      ALA  60  -8.881   6.627   7.696
  421    H    SER  61           HN       SER  61  -8.068   5.070   4.423
  422    HA   SER  61           HA       SER  61  -7.931   2.465   5.769
  423    HB2  SER  61           HB2      SER  61  -9.706   1.785   4.152
  424    HB3  SER  61           HB1      SER  61 -10.212   3.078   5.235
  425    HG   SER  61           HG       SER  61 -10.537   3.203   2.775
  426    H    PHE  62           HN       PHE  62  -7.233   0.666   4.486
  427    HA   PHE  62           HA       PHE  62  -5.563   1.474   2.199
  428    HB2  PHE  62           HB2      PHE  62  -4.683  -0.553   4.258
  429    HB3  PHE  62           HB1      PHE  62  -3.694   0.293   3.063
  430    HD1  PHE  62           HD1      PHE  62  -4.856   0.268   6.437
  431    HD2  PHE  62           HD2      PHE  62  -3.424   2.822   3.348
  432    HE1  PHE  62           HE1      PHE  62  -4.247   1.956   8.114
  433    HE2  PHE  62           HE2      PHE  62  -2.821   4.513   5.026
  434    HZ   PHE  62           HZ       PHE  62  -3.335   4.089   7.442
  435    H    CYS  63           HN       CYS  63  -5.912   0.222   0.423
  436    HA   CYS  63           HA       CYS  63  -7.547  -2.111   0.545
  437    HB2  CYS  63           HB2      CYS  63  -7.295  -0.636  -1.504
  438    HB3  CYS  63           HB1      CYS  63  -5.706  -1.364  -1.737
  439    H    GLU  64           HN       GLU  64  -6.981  -4.114   1.034
  440    HA   GLU  64           HA       GLU  64  -4.190  -4.606   1.685
  441    HB2  GLU  64           HB2      GLU  64  -6.653  -6.293   2.152
  442    HB3  GLU  64           HB1      GLU  64  -5.045  -6.656   2.763
  443    HG2  GLU  64           HG2      GLU  64  -5.080  -4.581   4.070
  444    HG3  GLU  64           HG1      GLU  64  -6.701  -4.240   3.468
  445    H    MET  65           HN       MET  65  -5.316  -4.549  -1.131
  446    HA   MET  65           HA       MET  65  -4.073  -7.091  -1.944
  447    HB2  MET  65           HB2      MET  65  -6.471  -5.777  -3.223
  448    HB3  MET  65           HB1      MET  65  -5.607  -7.162  -3.890
  449    HG2  MET  65           HG2      MET  65  -6.201  -8.490  -1.942
  450    HG3  MET  65           HG1      MET  65  -7.038  -7.108  -1.238
  451    HE1  MET  65           HE1      MET  65  -9.959  -9.537  -2.203
  452    HE2  MET  65           HE2      MET  65  -9.171  -8.647  -0.900
  453    HE3  MET  65           HE3      MET  65  -8.354 -10.016  -1.655
  454    H    CYS  66           HN       CYS  66  -4.011  -3.714  -2.165
  455    HA   CYS  66           HA       CYS  66  -1.976  -3.790  -4.180
  456    HB2  CYS  66           HB2      CYS  66  -3.066  -2.492  -5.864
  457    HB3  CYS  66           HB1      CYS  66  -4.180  -3.795  -5.465
  458    HA   PRO  67           HA       PRO  67  -0.759  -0.126  -2.025
  459    HB2  PRO  67           HB2      PRO  67   0.239   1.173  -4.444
  460    HB3  PRO  67           HB1      PRO  67   1.149   0.460  -3.110
  461    HG2  PRO  67           HG2      PRO  67   1.109  -0.641  -5.568
  462    HG3  PRO  67           HG1      PRO  67   1.215  -1.617  -4.091
  463    HD2  PRO  67           HD2      PRO  67  -1.207  -1.017  -5.780
  464    HD3  PRO  67           HD1      PRO  67  -0.666  -2.576  -5.102
  465    H    SER  68           HN       SER  68  -3.494  -0.013  -3.454
  466    HA   SER  68           HA       SER  68  -3.699   2.894  -3.741
  467    HB2  SER  68           HB2      SER  68  -5.765   0.752  -4.324
  468    HB3  SER  68           HB1      SER  68  -5.931   2.475  -4.667
  469    HG   SER  68           HG       SER  68  -3.796   2.013  -5.872
  470    H    SER  69           HN       SER  69  -3.778   3.738  -1.740
  471    HA   SER  69           HA       SER  69  -5.758   2.663   0.144
  472    HB2  SER  69           HB2      SER  69  -4.473   4.228   1.760
  473    HB3  SER  69           HB1      SER  69  -3.664   2.751   1.228
  474    HG   SER  69           HG       SER  69  -3.331   5.226  -0.119
  475    H    PHE  70           HN       PHE  70  -7.028   4.345   1.398
  476    HA   PHE  70           HA       PHE  70  -7.549   6.702  -0.289
  477    HB2  PHE  70           HB2      PHE  70  -9.682   4.817   0.745
  478    HB3  PHE  70           HB1      PHE  70  -9.968   6.315  -0.143
  479    HD1  PHE  70           HD1      PHE  70  -9.067   6.477  -2.515
  480    HD2  PHE  70           HD2      PHE  70  -9.385   2.808  -0.383
  481    HE1  PHE  70           HE1      PHE  70  -8.985   5.238  -4.640
  482    HE2  PHE  70           HE2      PHE  70  -9.299   1.563  -2.501
  483    HZ   PHE  70           HZ       PHE  70  -9.098   2.778  -4.636
  484    H    CYS  71           HN       CYS  71  -8.540   8.451   0.768
  485    HA   CYS  71           HA       CYS  71  -7.991   8.613   3.595
  486    HB2  CYS  71           HB2      CYS  71  -8.560  10.949   3.386
  487    HB3  CYS  71           HB1      CYS  71  -7.569  10.499   2.002
  488    H    LYS  72           HN       LYS  72  -9.847   9.882   4.900
  489    HA   LYS  72           HA       LYS  72 -11.885   8.025   5.338
  490    HB2  LYS  72           HB2      LYS  72 -11.816  10.954   6.057
  491    HB3  LYS  72           HB1      LYS  72 -12.971   9.793   6.695
  492    HG2  LYS  72           HG2      LYS  72 -11.140   8.525   7.699
  493    HG3  LYS  72           HG1      LYS  72  -9.987   9.700   7.065
  494    HD2  LYS  72           HD2      LYS  72 -11.112  11.464   8.377
  495    HD3  LYS  72           HD1      LYS  72 -12.189  10.240   9.053
  496    HE2  LYS  72           HE2      LYS  72 -10.282   9.078  10.016
  497    HE3  LYS  72           HE1      LYS  72  -9.188  10.264   9.312
  498    HZ1  LYS  72           HZ1      LYS  72 -10.270  11.971  10.665
  499    HZ2  LYS  72           HZ2      LYS  72  -9.579  10.757  11.618
  500    HZ3  LYS  72           HZ3      LYS  72 -11.251  10.792  11.377
  501    H    GLN  73           HN       GLN  73 -11.756  10.794   3.232
  502    HA   GLN  73           HA       GLN  73 -14.569  10.886   2.702
  503    HB2  GLN  73           HB2      GLN  73 -12.236  12.117   1.245
  504    HB3  GLN  73           HB1      GLN  73 -13.924  12.468   0.904
  505    HG2  GLN  73           HG2      GLN  73 -12.539  12.973   3.527
  506    HG3  GLN  73           HG1      GLN  73 -12.836  14.187   2.282
  507   HE21  GLN  73          HE21      GLN  73 -13.756  14.000   5.083
  508   HE22  GLN  73          HE22      GLN  73 -15.481  14.093   5.007
  509    H    HIS  74           HN       HIS  74 -11.733   9.715   0.928
  510    HA   HIS  74           HA       HIS  74 -13.477   8.945  -1.278
  511    HB2  HIS  74           HB2      HIS  74 -10.458   9.048  -1.080
  512    HB3  HIS  74           HB1      HIS  74 -11.354   8.569  -2.528
  513    HD2  HIS  74           HD2      HIS  74 -13.600  10.916  -2.461
  514    HE1  HIS  74           HE1      HIS  74 -10.286  13.527  -2.508
  515    HE2  HIS  74           HE2      HIS  74 -12.806  13.372  -2.687
  516    H    ARG  75           HN       ARG  75 -12.883   7.439   1.420
  517    HA   ARG  75           HA       ARG  75 -12.225   4.842   0.300
  518    HB2  ARG  75           HB2      ARG  75 -12.447   3.993   2.577
  519    HB3  ARG  75           HB1      ARG  75 -11.368   5.377   2.519
  520    HG2  ARG  75           HG2      ARG  75 -13.210   6.799   3.332
  521    HG3  ARG  75           HG1      ARG  75 -14.224   5.362   3.462
  522    HD2  ARG  75           HD2      ARG  75 -12.685   4.393   5.068
  523    HD3  ARG  75           HD1      ARG  75 -11.600   5.768   4.901
  524    HE   ARG  75           HE       ARG  75 -14.032   6.821   5.656
  525   HH11  ARG  75          HH11      ARG  75 -11.835   4.448   6.997
  526   HH12  ARG  75          HH12      ARG  75 -12.163   4.884   8.643
  527   HH21  ARG  75          HH21      ARG  75 -14.475   7.382   7.832
  528   HH22  ARG  75          HH22      ARG  75 -13.663   6.545   9.115
  529    H    GLU  76           HN       GLU  76 -14.992   6.729   0.985
  530    HA   GLU  76           HA       GLU  76 -16.875   4.651   1.353
  531    HB2  GLU  76           HB2      GLU  76 -17.179   7.503   0.418
  532    HB3  GLU  76           HB1      GLU  76 -18.544   6.426   0.679
  533    HG2  GLU  76           HG2      GLU  76 -17.878   6.184   3.029
  534    HG3  GLU  76           HG1      GLU  76 -16.551   7.310   2.755
  535    H    GLY  77           HN       GLY  77 -17.623   3.237  -0.106
  536    HA2  GLY  77           HA2      GLY  77 -18.479   2.464  -2.108
  537    HA3  GLY  77           HA1      GLY  77 -18.199   4.055  -2.800
  538    H    MET  78           HN       MET  78 -15.324   3.934  -1.972
  539    HA   MET  78           HA       MET  78 -14.451   2.590  -4.397
  540    HB2  MET  78           HB2      MET  78 -12.958   4.379  -2.460
  541    HB3  MET  78           HB1      MET  78 -12.256   3.688  -3.916
  542    HG2  MET  78           HG2      MET  78 -14.571   5.621  -3.805
  543    HG3  MET  78           HG1      MET  78 -12.918   5.996  -4.287
  544    HE1  MET  78           HE1      MET  78 -12.556   4.009  -7.636
  545    HE2  MET  78           HE2      MET  78 -12.130   3.424  -6.028
  546    HE3  MET  78           HE3      MET  78 -11.772   5.090  -6.484
  547    H    LEU  79           HN       LEU  79 -14.203   2.205  -0.947
  548    HA   LEU  79           HA       LEU  79 -12.629  -0.241  -1.400
  549    HB2  LEU  79           HB2      LEU  79 -11.521   1.755  -0.170
  550    HB3  LEU  79           HB1      LEU  79 -12.591   1.343   1.158
  551    HG   LEU  79           HG       LEU  79 -11.563  -0.916   1.243
  552   HD11  LEU  79          HD11      LEU  79  -9.422  -1.251   0.064
  553   HD12  LEU  79          HD12      LEU  79  -9.713   0.240  -0.833
  554   HD13  LEU  79          HD13      LEU  79 -10.796  -1.135  -1.031
  555   HD21  LEU  79          HD21      LEU  79 -10.758   0.745   2.758
  556   HD22  LEU  79          HD22      LEU  79  -9.749   1.470   1.508
  557   HD23  LEU  79          HD23      LEU  79  -9.363  -0.133   2.129
  558    H    PHE  80           HN       PHE  80 -13.344  -2.082  -0.362
  559    HA   PHE  80           HA       PHE  80 -15.569  -1.901   1.511
  560    HB2  PHE  80           HB2      PHE  80 -16.906  -3.546   0.195
  561    HB3  PHE  80           HB1      PHE  80 -16.720  -2.007  -0.626
  562    HD1  PHE  80           HD1      PHE  80 -15.688  -1.871  -2.761
  563    HD2  PHE  80           HD2      PHE  80 -15.548  -5.512  -0.550
  564    HE1  PHE  80           HE1      PHE  80 -14.844  -3.049  -4.744
  565    HE2  PHE  80           HE2      PHE  80 -14.703  -6.683  -2.535
  566    HZ   PHE  80           HZ       PHE  80 -14.349  -5.453  -4.635
  567    H    ILE  81           HN       ILE  81 -16.092  -4.095   2.407
  568    HA   ILE  81           HA       ILE  81 -13.621  -5.531   2.913
  569    HB   ILE  81           HB       ILE  81 -16.371  -5.711   4.127
  570   HG12  ILE  81          HG12      ILE  81 -14.860  -3.833   4.793
  571   HG13  ILE  81          HG11      ILE  81 -15.299  -4.895   6.124
  572   HG21  ILE  81          HG21      ILE  81 -13.979  -7.439   4.712
  573   HG22  ILE  81          HG22      ILE  81 -15.524  -7.964   4.044
  574   HG23  ILE  81          HG23      ILE  81 -15.437  -7.363   5.700
  575   HD11  ILE  81          HD11      ILE  81 -12.687  -4.865   4.635
  576   HD12  ILE  81          HD12      ILE  81 -13.124  -6.031   5.884
  577   HD13  ILE  81          HD13      ILE  81 -12.981  -4.320   6.286
  578    H    SER  82           HN       SER  82 -13.076  -7.391   2.031
  579    HA   SER  82           HA       SER  82 -14.737  -8.689   0.094
  580    HB2  SER  82           HB2      SER  82 -12.307  -8.661  -0.172
  581    HB3  SER  82           HB1      SER  82 -12.109  -9.512   1.358
  582    HG   SER  82           HG       SER  82 -13.339 -10.490  -1.012
  583    H    LYS  83           HN       LYS  83 -16.191 -10.254   0.464
  584    HA   LYS  83           HA       LYS  83 -16.721 -11.104   3.140
  585    HB2  LYS  83           HB2      LYS  83 -17.870 -12.040   0.512
  586    HB3  LYS  83           HB1      LYS  83 -18.471 -12.518   2.092
  587    HG2  LYS  83           HG2      LYS  83 -18.961 -10.146   2.582
  588    HG3  LYS  83           HG1      LYS  83 -18.456  -9.736   0.942
  589    HD2  LYS  83           HD2      LYS  83 -20.718 -11.593   1.678
  590    HD3  LYS  83           HD1      LYS  83 -20.893  -9.929   1.121
  591    HE2  LYS  83           HE2      LYS  83 -19.709 -12.224  -0.435
  592    HE3  LYS  83           HE1      LYS  83 -21.289 -11.491  -0.698
  593    HZ1  LYS  83           HZ1      LYS  83 -20.124  -9.388  -1.200
  594    HZ2  LYS  83           HZ2      LYS  83 -19.757 -10.625  -2.290
  595    HZ3  LYS  83           HZ3      LYS  83 -18.646 -10.201  -1.090
  596    H    LEU  84           HN       LEU  84 -14.663 -12.210   0.691
  597    HA   LEU  84           HA       LEU  84 -14.637 -14.969   1.530
  598    HB2  LEU  84           HB2      LEU  84 -12.866 -13.435  -0.357
  599    HB3  LEU  84           HB1      LEU  84 -12.768 -15.164  -0.089
  600    HG   LEU  84           HG       LEU  84 -15.191 -13.746  -1.198
  601   HD11  LEU  84          HD11      LEU  84 -13.052 -15.323  -2.616
  602   HD12  LEU  84          HD12      LEU  84 -13.321 -13.585  -2.741
  603   HD13  LEU  84          HD13      LEU  84 -14.535 -14.711  -3.346
  604   HD21  LEU  84          HD21      LEU  84 -15.757 -15.816  -0.073
  605   HD22  LEU  84          HD22      LEU  84 -14.498 -16.671  -0.963
  606   HD23  LEU  84          HD23      LEU  84 -15.895 -16.020  -1.819
  607    H    ASP  85           HN       ASP  85 -12.273 -12.286   1.591
  608    HA   ASP  85           HA       ASP  85 -10.663 -13.880   3.452
  609    HB2  ASP  85           HB2      ASP  85  -9.936 -11.503   1.746
  610    HB3  ASP  85           HB1      ASP  85  -8.859 -12.187   2.956
  611    H    GLY  86           HN       GLY  86 -12.785 -11.252   3.481
  612    HA2  GLY  86           HA2      GLY  86 -13.412  -9.845   5.195
  613    HA3  GLY  86           HA1      GLY  86 -12.246 -10.656   6.230
  614    H    ARG  87           HN       ARG  87 -10.888  -9.621   3.360
  615    HA   ARG  87           HA       ARG  87  -9.443  -7.499   4.738
  616    HB2  ARG  87           HB2      ARG  87  -8.990  -8.839   2.066
  617    HB3  ARG  87           HB1      ARG  87  -7.930  -7.629   2.778
  618    HG2  ARG  87           HG2      ARG  87  -7.427  -9.107   4.622
  619    HG3  ARG  87           HG1      ARG  87  -8.562 -10.305   3.998
  620    HD2  ARG  87           HD2      ARG  87  -7.201 -10.489   1.953
  621    HD3  ARG  87           HD1      ARG  87  -6.052  -9.337   2.639
  622    HE   ARG  87           HE       ARG  87  -6.294 -11.346   4.502
  623   HH11  ARG  87          HH11      ARG  87  -5.308 -11.141   1.151
  624   HH12  ARG  87          HH12      ARG  87  -4.203 -12.469   1.266
  625   HH21  ARG  87          HH21      ARG  87  -4.841 -13.085   4.656
  626   HH22  ARG  87          HH22      ARG  87  -3.932 -13.575   3.261
  627    H    LEU  88           HN       LEU  88  -9.195  -5.417   3.843
  628    HA   LEU  88           HA       LEU  88 -11.490  -4.423   2.445
  629    HB2  LEU  88           HB2      LEU  88  -8.928  -3.188   3.396
  630    HB3  LEU  88           HB1      LEU  88 -10.015  -2.300   2.353
  631    HG   LEU  88           HG       LEU  88 -10.881  -3.467   4.987
  632   HD11  LEU  88          HD11      LEU  88  -9.914  -0.678   4.376
  633   HD12  LEU  88          HD12      LEU  88  -9.089  -1.868   5.381
  634   HD13  LEU  88          HD13      LEU  88 -10.640  -1.205   5.894
  635   HD21  LEU  88          HD21      LEU  88 -12.688  -1.802   4.757
  636   HD22  LEU  88          HD22      LEU  88 -12.700  -2.989   3.456
  637   HD23  LEU  88          HD23      LEU  88 -12.062  -1.371   3.168
  638    H    SER  89           HN       SER  89 -11.801  -4.347   0.349
  639    HA   SER  89           HA       SER  89  -9.468  -4.466  -1.443
  640    HB2  SER  89           HB2      SER  89 -10.651  -6.670  -1.266
  641    HB3  SER  89           HB1      SER  89 -12.108  -5.892  -1.882
  642    HG   SER  89           HG       SER  89  -9.795  -6.655  -3.201
  643    H    CYS  90           HN       CYS  90  -9.515  -3.094  -3.143
  644    HA   CYS  90           HA       CYS  90 -11.553  -1.048  -3.148
  645    HB2  CYS  90           HB2      CYS  90 -10.115   0.149  -4.678
  646    HB3  CYS  90           HB1      CYS  90  -9.107  -0.530  -3.402
  647    H    THR  91           HN       THR  91 -12.395  -0.272  -5.301
  648    HA   THR  91           HA       THR  91 -13.906  -2.340  -6.513
  649    HB   THR  91           HB       THR  91 -14.638  -0.502  -8.073
  650    HG1  THR  91           HG1      THR  91 -12.737   0.783  -7.968
  651   HG21  THR  91          HG21      THR  91 -15.909  -0.962  -6.075
  652   HG22  THR  91          HG22      THR  91 -15.815   0.781  -6.309
  653   HG23  THR  91          HG23      THR  91 -14.797  -0.003  -5.101
  654    H    GLU  92           HN       GLU  92 -10.753  -1.470  -7.043
  655    HA   GLU  92           HA       GLU  92 -10.809  -1.627  -9.939
  656    HB2  GLU  92           HB2      GLU  92  -8.427  -1.347  -8.103
  657    HB3  GLU  92           HB1      GLU  92  -8.470  -1.041  -9.834
  658    HG2  GLU  92           HG2      GLU  92  -9.896   0.535  -7.702
  659    HG3  GLU  92           HG1      GLU  92  -8.474   1.042  -8.606
  660    H    HIS  93           HN       HIS  93 -11.257  -3.902  -7.881
  661    HA   HIS  93           HA       HIS  93  -9.405  -5.805  -9.167
  662    HB2  HIS  93           HB2      HIS  93 -10.579  -5.972  -6.378
  663    HB3  HIS  93           HB1      HIS  93  -9.558  -7.189  -7.128
  664    HD1  HIS  93           HD1      HIS  93  -7.608  -4.725  -8.270
  665    HD2  HIS  93           HD2      HIS  93  -8.672  -5.701  -4.381
  666    HE1  HIS  93           HE1      HIS  93  -5.795  -3.784  -6.775
  667    H    ASP  94           HN       ASP  94 -11.646  -5.249 -10.499
  668    HA   ASP  94           HA       ASP  94 -13.672  -7.215  -9.755
  669    HB2  ASP  94           HB2      ASP  94 -14.451  -4.989 -10.439
  670    HB3  ASP  94           HB1      ASP  94 -13.661  -5.189 -11.997
  Start of MODEL    5
    1    H1   GLY   1           HT1      GLY   1  15.754  -4.843  14.844
    2    H2   GLY   1           HT2      GLY   1  16.243  -6.395  14.391
    3    H3   GLY   1           HT3      GLY   1  15.521  -6.145  15.900
    4    HA2  GLY   1           HA1      GLY   1  14.221  -5.852  13.253
    5    HA3  GLY   1           HA2      GLY   1  13.939  -7.144  14.411
    6    H    ALA   2           HN       ALA   2  12.615  -6.815  16.135
    7    HA   ALA   2           HA       ALA   2  10.947  -5.942  17.386
    8    HB1  ALA   2           HB1      ALA   2  12.536  -4.181  17.973
    9    HB2  ALA   2           HB2      ALA   2  10.887  -3.565  17.879
   10    HB3  ALA   2           HB3      ALA   2  12.023  -3.248  16.567
   11    H    MET   3           HN       MET   3  11.098  -3.541  14.759
   12    HA   MET   3           HA       MET   3   8.270  -3.904  14.235
   13    HB2  MET   3           HB2      MET   3  10.327  -2.128  12.911
   14    HB3  MET   3           HB1      MET   3   8.608  -2.121  12.545
   15    HG2  MET   3           HG2      MET   3   9.850  -1.428  15.197
   16    HG3  MET   3           HG1      MET   3   9.217  -0.287  14.015
   17    HE1  MET   3           HE1      MET   3   7.734   0.822  15.917
   18    HE2  MET   3           HE2      MET   3   8.352  -0.338  17.091
   19    HE3  MET   3           HE3      MET   3   6.614  -0.083  16.937
   20    H    GLU   4           HN       GLU   4   7.779  -5.708  13.179
   21    HA   GLU   4           HA       GLU   4   9.620  -7.010  11.433
   22    HB2  GLU   4           HB2      GLU   4   6.789  -7.562  12.250
   23    HB3  GLU   4           HB1      GLU   4   7.595  -8.527  11.022
   24    HG2  GLU   4           HG2      GLU   4   8.509  -8.151  13.861
   25    HG3  GLU   4           HG1      GLU   4   7.730  -9.587  13.196
   26    H    ARG   5           HN       ARG   5   9.527  -7.345   9.268
   27    HA   ARG   5           HA       ARG   5   7.564  -5.817   7.705
   28    HB2  ARG   5           HB2      ARG   5  10.536  -6.010   7.178
   29    HB3  ARG   5           HB1      ARG   5   9.369  -5.267   6.095
   30    HG2  ARG   5           HG2      ARG   5   8.913  -3.532   7.701
   31    HG3  ARG   5           HG1      ARG   5   9.950  -4.320   8.895
   32    HD2  ARG   5           HD2      ARG   5  10.816  -3.164   6.246
   33    HD3  ARG   5           HD1      ARG   5  11.132  -2.481   7.840
   34    HE   ARG   5           HE       ARG   5  12.423  -4.595   8.264
   35   HH11  ARG   5          HH11      ARG   5  12.012  -3.310   5.038
   36   HH12  ARG   5          HH12      ARG   5  13.436  -4.076   4.412
   37   HH21  ARG   5          HH21      ARG   5  14.304  -5.604   7.447
   38   HH22  ARG   5          HH22      ARG   5  14.739  -5.384   5.783
   39    H    GLU   6           HN       GLU   6   7.038  -6.744   5.688
   40    HA   GLU   6           HA       GLU   6   7.576  -9.588   5.462
   41    HB2  GLU   6           HB2      GLU   6   5.882  -7.717   3.789
   42    HB3  GLU   6           HB1      GLU   6   5.969  -9.461   3.567
   43    HG2  GLU   6           HG2      GLU   6   4.952  -9.863   5.670
   44    HG3  GLU   6           HG1      GLU   6   5.104  -8.173   6.139
   45    H    ASP   7           HN       ASP   7   8.939 -10.502   3.959
   46    HA   ASP   7           HA       ASP   7  10.637  -8.601   2.518
   47    HB2  ASP   7           HB2      ASP   7  11.629 -10.362   4.064
   48    HB3  ASP   7           HB1      ASP   7  11.156 -11.553   2.855
   49    H    GLU   8           HN       GLU   8   8.516  -8.499   1.210
   50    HA   GLU   8           HA       GLU   8   9.082  -9.680  -1.325
   51    HB2  GLU   8           HB2      GLU   8   7.866 -11.533  -0.191
   52    HB3  GLU   8           HB1      GLU   8   6.508 -10.450   0.072
   53    HG2  GLU   8           HG2      GLU   8   6.167 -10.253  -2.316
   54    HG3  GLU   8           HG1      GLU   8   7.576 -11.268  -2.621
   55    H    CYS   9           HN       CYS   9   7.825  -8.658  -3.009
   56    HA   CYS   9           HA       CYS   9   6.981  -6.008  -2.224
   57    HB2  CYS   9           HB2      CYS   9   8.288  -6.249  -4.267
   58    HB3  CYS   9           HB1      CYS   9   7.082  -7.355  -4.926
   59    H    PHE  10           HN       PHE  10   5.004  -5.669  -1.545
   60    HA   PHE  10           HA       PHE  10   2.911  -7.549  -1.805
   61    HB2  PHE  10           HB2      PHE  10   3.108  -6.013   0.096
   62    HB3  PHE  10           HB1      PHE  10   2.841  -4.638  -0.965
   63    HD1  PHE  10           HD1      PHE  10   0.707  -3.790  -1.199
   64    HD2  PHE  10           HD2      PHE  10   1.222  -7.795   0.151
   65    HE1  PHE  10           HE1      PHE  10  -1.714  -3.969  -0.811
   66    HE2  PHE  10           HE2      PHE  10  -1.197  -7.976   0.538
   67    HZ   PHE  10           HZ       PHE  10  -2.656  -6.023   0.123
   68    H    SER  11           HN       SER  11   4.010  -5.041  -3.872
   69    HA   SER  11           HA       SER  11   1.544  -4.677  -5.289
   70    HB2  SER  11           HB2      SER  11   4.355  -3.990  -6.168
   71    HB3  SER  11           HB1      SER  11   2.859  -3.374  -6.867
   72    HG   SER  11           HG       SER  11   2.839  -1.915  -5.375
   73    H    CYS  12           HN       CYS  12   4.441  -6.679  -5.734
   74    HA   CYS  12           HA       CYS  12   3.336  -7.589  -8.311
   75    HB2  CYS  12           HB2      CYS  12   6.200  -7.742  -7.358
   76    HB3  CYS  12           HB1      CYS  12   5.605  -8.155  -8.967
   77    H    GLY  13           HN       GLY  13   4.374  -8.680  -5.170
   78    HA2  GLY  13           HA2      GLY  13   3.974 -10.782  -4.229
   79    HA3  GLY  13           HA1      GLY  13   3.541 -11.391  -5.822
   80    H    ASP  14           HN       ASP  14   6.393  -9.646  -5.926
   81    HA   ASP  14           HA       ASP  14   7.993 -12.109  -5.785
   82    HB2  ASP  14           HB2      ASP  14   8.327  -9.722  -7.612
   83    HB3  ASP  14           HB1      ASP  14   9.488 -11.036  -7.483
   84    H    ALA  15           HN       ALA  15  10.181 -11.874  -5.089
   85    HA   ALA  15           HA       ALA  15  10.602  -9.531  -3.357
   86    HB1  ALA  15           HB1      ALA  15  10.242 -11.597  -2.095
   87    HB2  ALA  15           HB2      ALA  15  11.876 -10.975  -1.874
   88    HB3  ALA  15           HB3      ALA  15  11.593 -12.348  -2.944
   89    H    GLY  16           HN       GLY  16  12.870  -8.912  -3.037
   90    HA2  GLY  16           HA2      GLY  16  15.125  -9.628  -4.238
   91    HA3  GLY  16           HA1      GLY  16  14.227  -8.996  -5.611
   92    H    GLN  17           HN       GLN  17  14.819  -6.985  -6.096
   93    HA   GLN  17           HA       GLN  17  16.175  -5.309  -4.210
   94    HB2  GLN  17           HB2      GLN  17  16.731  -5.317  -6.618
   95    HB3  GLN  17           HB1      GLN  17  15.148  -4.634  -6.967
   96    HG2  GLN  17           HG2      GLN  17  16.894  -2.935  -6.985
   97    HG3  GLN  17           HG1      GLN  17  15.704  -2.638  -5.721
   98   HE21  GLN  17          HE21      GLN  17  17.132  -1.362  -4.551
   99   HE22  GLN  17          HE22      GLN  17  18.458  -2.037  -3.671
  100    H    LEU  18           HN       LEU  18  14.689  -5.045  -2.565
  101    HA   LEU  18           HA       LEU  18  12.232  -3.598  -3.232
  102    HB2  LEU  18           HB2      LEU  18  12.945  -5.175  -0.759
  103    HB3  LEU  18           HB1      LEU  18  11.411  -4.375  -1.048
  104    HG   LEU  18           HG       LEU  18  12.426  -6.507  -2.899
  105   HD11  LEU  18          HD11      LEU  18  12.358  -7.455  -0.643
  106   HD12  LEU  18          HD12      LEU  18  11.100  -8.126  -1.680
  107   HD13  LEU  18          HD13      LEU  18  10.691  -6.908  -0.476
  108   HD21  LEU  18          HD21      LEU  18  10.076  -6.726  -3.437
  109   HD22  LEU  18          HD22      LEU  18  10.630  -5.072  -3.691
  110   HD23  LEU  18          HD23      LEU  18   9.679  -5.475  -2.262
  111    H    VAL  19           HN       VAL  19  11.761  -1.685  -2.335
  112    HA   VAL  19           HA       VAL  19  13.691  -0.504  -0.458
  113    HB   VAL  19           HB       VAL  19  13.532   0.852  -2.446
  114   HG11  VAL  19          HG11      VAL  19  11.380   1.873  -3.155
  115   HG12  VAL  19          HG12      VAL  19  10.549   0.801  -2.026
  116   HG13  VAL  19          HG13      VAL  19  11.453   0.127  -3.383
  117   HG21  VAL  19          HG21      VAL  19  12.728   2.980  -1.513
  118   HG22  VAL  19          HG22      VAL  19  13.717   2.075  -0.366
  119   HG23  VAL  19          HG23      VAL  19  11.962   2.096  -0.194
  120    H    SER  20           HN       SER  20  12.994  -0.002   1.549
  121    HA   SER  20           HA       SER  20  10.328  -1.019   2.175
  122    HB2  SER  20           HB2      SER  20  12.322  -2.057   3.258
  123    HB3  SER  20           HB1      SER  20  12.652  -0.517   4.046
  124    HG   SER  20           HG       SER  20  10.935  -0.773   5.322
  125    H    CYS  21           HN       CYS  21   8.963   0.009   3.603
  126    HA   CYS  21           HA       CYS  21   8.879   2.851   3.447
  127    HB2  CYS  21           HB2      CYS  21   6.912   1.217   3.643
  128    HB3  CYS  21           HB1      CYS  21   7.318   1.103   5.355
  129    H    LYS  22           HN       LYS  22   9.681   4.332   4.874
  130    HA   LYS  22           HA       LYS  22  11.415   3.284   6.949
  131    HB2  LYS  22           HB2      LYS  22  12.043   5.106   5.275
  132    HB3  LYS  22           HB1      LYS  22  11.022   6.182   6.219
  133    HG2  LYS  22           HG2      LYS  22  12.415   5.987   8.122
  134    HG3  LYS  22           HG1      LYS  22  13.306   4.638   7.416
  135    HD2  LYS  22           HD2      LYS  22  13.282   7.444   6.310
  136    HD3  LYS  22           HD1      LYS  22  14.546   6.786   7.349
  137    HE2  LYS  22           HE2      LYS  22  14.958   5.021   5.662
  138    HE3  LYS  22           HE1      LYS  22  13.758   5.777   4.617
  139    HZ1  LYS  22           HZ1      LYS  22  15.943   6.466   3.967
  140    HZ2  LYS  22           HZ2      LYS  22  16.307   6.984   5.534
  141    HZ3  LYS  22           HZ3      LYS  22  15.132   7.799   4.628
  142    H    LYS  23           HN       LYS  23   8.442   3.290   7.140
  143    HA   LYS  23           HA       LYS  23   8.133   4.887   9.586
  144    HB2  LYS  23           HB2      LYS  23   6.529   5.408   7.763
  145    HB3  LYS  23           HB1      LYS  23   5.991   3.734   7.786
  146    HG2  LYS  23           HG2      LYS  23   5.172   4.004  10.058
  147    HG3  LYS  23           HG1      LYS  23   5.750   5.670  10.080
  148    HD2  LYS  23           HD2      LYS  23   4.237   6.161   8.169
  149    HD3  LYS  23           HD1      LYS  23   3.595   4.520   8.308
  150    HE2  LYS  23           HE2      LYS  23   2.123   6.051   9.461
  151    HE3  LYS  23           HE1      LYS  23   2.935   5.018  10.638
  152    HZ1  LYS  23           HZ1      LYS  23   2.878   7.336  11.336
  153    HZ2  LYS  23           HZ2      LYS  23   3.741   7.792   9.957
  154    HZ3  LYS  23           HZ3      LYS  23   4.467   6.805  11.119
  155    HA   PRO  24           HA       PRO  24   8.375   0.866  11.588
  156    HB2  PRO  24           HB2      PRO  24   7.733   1.788  14.095
  157    HB3  PRO  24           HB1      PRO  24   9.360   1.831  13.408
  158    HG2  PRO  24           HG2      PRO  24   7.318   3.999  13.595
  159    HG3  PRO  24           HG1      PRO  24   9.074   4.084  13.830
  160    HD2  PRO  24           HD2      PRO  24   7.886   4.919  11.554
  161    HD3  PRO  24           HD1      PRO  24   9.500   4.179  11.555
  162    H    GLY  25           HN       GLY  25   6.844  -0.661  11.871
  163    HA2  GLY  25           HA2      GLY  25   4.727  -1.435  12.673
  164    HA3  GLY  25           HA1      GLY  25   4.101   0.205  12.501
  165    H    CYS  26           HN       CYS  26   5.629   0.224   9.834
  166    HA   CYS  26           HA       CYS  26   3.493  -0.974   8.248
  167    HB2  CYS  26           HB2      CYS  26   4.358   1.398   7.887
  168    HB3  CYS  26           HB1      CYS  26   5.840   0.665   7.278
  169    HA   PRO  27           HA       PRO  27   6.509  -4.268   7.656
  170    HB2  PRO  27           HB2      PRO  27   4.776  -6.270   7.335
  171    HB3  PRO  27           HB1      PRO  27   4.984  -5.511   8.920
  172    HG2  PRO  27           HG2      PRO  27   2.800  -5.158   6.911
  173    HG3  PRO  27           HG1      PRO  27   2.701  -5.208   8.686
  174    HD2  PRO  27           HD2      PRO  27   2.756  -2.886   7.102
  175    HD3  PRO  27           HD1      PRO  27   3.045  -2.966   8.854
  176    H    LYS  28           HN       LYS  28   5.242  -2.470   5.468
  177    HA   LYS  28           HA       LYS  28   5.089  -4.458   3.314
  178    HB2  LYS  28           HB2      LYS  28   3.694  -1.923   3.845
  179    HB3  LYS  28           HB1      LYS  28   4.232  -2.112   2.172
  180    HG2  LYS  28           HG2      LYS  28   1.941  -2.913   2.474
  181    HG3  LYS  28           HG1      LYS  28   3.023  -4.223   2.002
  182    HD2  LYS  28           HD2      LYS  28   3.147  -4.959   4.342
  183    HD3  LYS  28           HD1      LYS  28   2.068  -3.640   4.809
  184    HE2  LYS  28           HE2      LYS  28   0.303  -4.576   3.432
  185    HE3  LYS  28           HE1      LYS  28   1.384  -5.856   2.883
  186    HZ1  LYS  28           HZ1      LYS  28   0.527  -5.431   5.696
  187    HZ2  LYS  28           HZ2      LYS  28   1.528  -6.683   5.132
  188    HZ3  LYS  28           HZ3      LYS  28  -0.094  -6.605   4.647
  189    H    VAL  29           HN       VAL  29   6.350  -4.399   1.574
  190    HA   VAL  29           HA       VAL  29   8.307  -2.242   1.265
  191    HB   VAL  29           HB       VAL  29   9.258  -4.238   2.552
  192   HG11  VAL  29          HG11      VAL  29   8.232  -6.031   1.327
  193   HG12  VAL  29          HG12      VAL  29   9.988  -6.146   1.209
  194   HG13  VAL  29          HG13      VAL  29   9.050  -5.527  -0.151
  195   HG21  VAL  29          HG21      VAL  29  10.466  -3.113   0.076
  196   HG22  VAL  29          HG22      VAL  29  11.329  -4.320   1.029
  197   HG23  VAL  29          HG23      VAL  29  10.855  -2.792   1.765
  198    H    TYR  30           HN       TYR  30   9.107  -2.100  -0.952
  199    HA   TYR  30           HA       TYR  30   7.551  -3.596  -2.940
  200    HB2  TYR  30           HB2      TYR  30   7.605  -0.570  -2.873
  201    HB3  TYR  30           HB1      TYR  30   6.763  -1.577  -4.044
  202    HD1  TYR  30           HD1      TYR  30   4.849  -3.044  -3.172
  203    HD2  TYR  30           HD2      TYR  30   6.516   0.171  -0.940
  204    HE1  TYR  30           HE1      TYR  30   2.812  -2.939  -1.804
  205    HE2  TYR  30           HE2      TYR  30   4.484   0.275   0.437
  206    HH   TYR  30           HH       TYR  30   2.097  -0.367   0.259
  207    H    HIS  31           HN       HIS  31   8.299  -3.044  -5.184
  208    HA   HIS  31           HA       HIS  31  11.177  -2.649  -5.263
  209    HB2  HIS  31           HB2      HIS  31   9.243  -3.016  -7.570
  210    HB3  HIS  31           HB1      HIS  31  11.000  -3.093  -7.662
  211    HD2  HIS  31           HD2      HIS  31  11.920  -5.301  -5.795
  212    HE1  HIS  31           HE1      HIS  31   8.601  -7.590  -7.079
  213    HE2  HIS  31           HE2      HIS  31  10.989  -7.690  -6.215
  214    H    ALA  32           HN       ALA  32  12.174  -0.862  -6.128
  215    HA   ALA  32           HA       ALA  32  10.780   1.592  -6.088
  216    HB1  ALA  32           HB1      ALA  32  13.168   1.420  -5.589
  217    HB2  ALA  32           HB2      ALA  32  12.862   2.576  -6.885
  218    HB3  ALA  32           HB3      ALA  32  13.485   0.971  -7.265
  219    H    ASP  33           HN       ASP  33  11.593  -0.687  -8.593
  220    HA   ASP  33           HA       ASP  33  11.089   0.995 -10.806
  221    HB2  ASP  33           HB2      ASP  33  10.939  -1.142 -12.103
  222    HB3  ASP  33           HB1      ASP  33  12.411  -0.964 -11.159
  223    H    CYS  34           HN       CYS  34   8.981  -1.333  -9.094
  224    HA   CYS  34           HA       CYS  34   6.801  -0.844 -10.885
  225    HB2  CYS  34           HB2      CYS  34   5.446  -2.091  -9.123
  226    HB3  CYS  34           HB1      CYS  34   6.781  -2.982  -9.839
  227    H    LEU  35           HN       LEU  35   7.994   0.676  -8.041
  228    HA   LEU  35           HA       LEU  35   5.585   2.184  -7.539
  229    HB2  LEU  35           HB2      LEU  35   8.411   2.464  -6.535
  230    HB3  LEU  35           HB1      LEU  35   7.113   3.538  -6.059
  231    HG   LEU  35           HG       LEU  35   7.111   0.565  -5.563
  232   HD11  LEU  35          HD11      LEU  35   8.891   1.492  -4.299
  233   HD12  LEU  35          HD12      LEU  35   7.528   1.290  -3.197
  234   HD13  LEU  35          HD13      LEU  35   7.917   2.885  -3.834
  235   HD21  LEU  35          HD21      LEU  35   5.362   2.804  -4.543
  236   HD22  LEU  35          HD22      LEU  35   5.308   1.134  -3.979
  237   HD23  LEU  35          HD23      LEU  35   4.878   1.515  -5.645
  238    H    ASN  36           HN       ASN  36   7.879   2.256  -9.899
  239    HA   ASN  36           HA       ASN  36   8.382   3.680 -11.581
  240    HB2  ASN  36           HB2      ASN  36   5.977   5.108 -10.466
  241    HB3  ASN  36           HB1      ASN  36   6.881   5.750 -11.829
  242   HD21  ASN  36          HD21      ASN  36   6.523   2.317 -11.393
  243   HD22  ASN  36          HD22      ASN  36   5.421   2.065 -12.696
  244    H    LEU  37           HN       LEU  37   9.663   3.868  -9.003
  245    HA   LEU  37           HA       LEU  37  10.166   6.657  -8.513
  246    HB2  LEU  37           HB2      LEU  37  11.430   4.143  -7.441
  247    HB3  LEU  37           HB1      LEU  37  11.953   5.749  -6.974
  248    HG   LEU  37           HG       LEU  37   9.208   4.581  -6.488
  249   HD11  LEU  37          HD11      LEU  37  10.995   3.601  -5.099
  250   HD12  LEU  37          HD12      LEU  37   9.844   4.548  -4.158
  251   HD13  LEU  37          HD13      LEU  37  11.426   5.220  -4.551
  252   HD21  LEU  37          HD21      LEU  37   8.829   6.588  -5.142
  253   HD22  LEU  37          HD22      LEU  37   9.103   6.988  -6.837
  254   HD23  LEU  37          HD23      LEU  37  10.391   7.226  -5.654
  255    H    THR  38           HN       THR  38  10.967   7.445 -10.475
  256    HA   THR  38           HA       THR  38  13.331   6.306 -11.645
  257    HB   THR  38           HB       THR  38  13.274   8.612 -12.893
  258    HG1  THR  38           HG1      THR  38  10.644   8.843 -12.749
  259   HG21  THR  38          HG21      THR  38  11.629   7.714 -14.472
  260   HG22  THR  38          HG22      THR  38  11.111   6.537 -13.267
  261   HG23  THR  38          HG23      THR  38  12.744   6.462 -13.927
  262    H    LYS  39           HN       LYS  39  12.709   8.275  -9.001
  263    HA   LYS  39           HA       LYS  39  15.560   8.987  -8.856
  264    HB2  LYS  39           HB2      LYS  39  13.219  10.633  -7.869
  265    HB3  LYS  39           HB1      LYS  39  14.906  10.993  -7.536
  266    HG2  LYS  39           HG2      LYS  39  15.325  11.341  -9.906
  267    HG3  LYS  39           HG1      LYS  39  13.656  10.907 -10.277
  268    HD2  LYS  39           HD2      LYS  39  13.945  13.327 -10.273
  269    HD3  LYS  39           HD1      LYS  39  12.864  12.820  -8.975
  270    HE2  LYS  39           HE2      LYS  39  14.759  12.960  -7.395
  271    HE3  LYS  39           HE1      LYS  39  15.779  13.553  -8.704
  272    HZ1  LYS  39           HZ1      LYS  39  14.899  15.347  -7.335
  273    HZ2  LYS  39           HZ2      LYS  39  13.320  14.883  -7.719
  274    HZ3  LYS  39           HZ3      LYS  39  14.348  15.460  -8.930
  275    H    ARG  40           HN       ARG  40  16.537   8.681  -6.863
  276    HA   ARG  40           HA       ARG  40  15.138   6.840  -5.118
  277    HB2  ARG  40           HB2      ARG  40  17.995   7.773  -5.279
  278    HB3  ARG  40           HB1      ARG  40  17.413   6.766  -3.958
  279    HG2  ARG  40           HG2      ARG  40  16.826   5.007  -5.484
  280    HG3  ARG  40           HG1      ARG  40  17.219   6.027  -6.869
  281    HD2  ARG  40           HD2      ARG  40  19.544   6.050  -6.253
  282    HD3  ARG  40           HD1      ARG  40  19.198   5.193  -4.752
  283    HE   ARG  40           HE       ARG  40  18.623   3.252  -6.091
  284   HH11  ARG  40          HH11      ARG  40  20.342   5.815  -7.744
  285   HH12  ARG  40          HH12      ARG  40  20.993   4.767  -8.959
  286   HH21  ARG  40          HH21      ARG  40  19.477   1.870  -7.675
  287   HH22  ARG  40          HH22      ARG  40  20.496   2.513  -8.924
  288    HA   PRO  41           HA       PRO  41  13.838  10.166  -2.495
  289    HB2  PRO  41           HB2      PRO  41  12.795   8.630  -0.504
  290    HB3  PRO  41           HB1      PRO  41  11.972   8.920  -2.039
  291    HG2  PRO  41           HG2      PRO  41  13.606   6.563  -1.177
  292    HG3  PRO  41           HG1      PRO  41  12.055   6.594  -2.042
  293    HD2  PRO  41           HD2      PRO  41  14.389   6.200  -3.333
  294    HD3  PRO  41           HD1      PRO  41  13.055   7.107  -4.076
  295    H    ALA  42           HN       ALA  42  14.518  11.230  -0.695
  296    HA   ALA  42           HA       ALA  42  16.561   9.931   0.981
  297    HB1  ALA  42           HB1      ALA  42  17.768  12.059   1.072
  298    HB2  ALA  42           HB2      ALA  42  16.583  12.781  -0.015
  299    HB3  ALA  42           HB3      ALA  42  17.627  11.482  -0.587
  300    H    GLY  43           HN       GLY  43  16.536  10.529   3.191
  301    HA2  GLY  43           HA2      GLY  43  15.691  11.580   5.107
  302    HA3  GLY  43           HA1      GLY  43  14.523  12.424   4.098
  303    H    LYS  44           HN       LYS  44  12.674  11.942   5.198
  304    HA   LYS  44           HA       LYS  44  12.093   9.170   5.861
  305    HB2  LYS  44           HB2      LYS  44  10.363  11.624   6.194
  306    HB3  LYS  44           HB1      LYS  44  10.027  10.028   6.845
  307    HG2  LYS  44           HG2      LYS  44  12.205  10.267   8.131
  308    HG3  LYS  44           HG1      LYS  44  12.158  11.970   7.670
  309    HD2  LYS  44           HD2      LYS  44  10.080  10.462   9.255
  310    HD3  LYS  44           HD1      LYS  44  11.169  11.711   9.856
  311    HE2  LYS  44           HE2      LYS  44  10.097  13.357   8.416
  312    HE3  LYS  44           HE1      LYS  44   9.035  12.112   7.761
  313    HZ1  LYS  44           HZ1      LYS  44   7.946  13.434   9.475
  314    HZ2  LYS  44           HZ2      LYS  44   9.117  12.973  10.600
  315    HZ3  LYS  44           HZ3      LYS  44   8.075  11.814   9.947
  316    H    TRP  45           HN       TRP  45  11.253   7.872   4.379
  317    HA   TRP  45           HA       TRP  45   9.481   9.051   2.367
  318    HB2  TRP  45           HB2      TRP  45  11.486   8.039   1.384
  319    HB3  TRP  45           HB1      TRP  45  11.121   6.518   2.193
  320    HD1  TRP  45           HD1      TRP  45   9.611   8.829  -0.514
  321    HE1  TRP  45           HE1      TRP  45   8.254   7.381  -2.144
  322    HE3  TRP  45           HE3      TRP  45  10.070   4.326   1.854
  323    HZ2  TRP  45           HZ2      TRP  45   7.479   4.674  -2.391
  324    HZ3  TRP  45           HZ3      TRP  45   8.991   2.352   0.854
  325    HH2  TRP  45           HH2      TRP  45   7.723   2.523  -1.221
  326    H    GLU  46           HN       GLU  46   7.427   8.697   2.788
  327    HA   GLU  46           HA       GLU  46   6.618   6.268   4.197
  328    HB2  GLU  46           HB2      GLU  46   5.088   8.769   3.444
  329    HB3  GLU  46           HB1      GLU  46   4.341   7.362   4.182
  330    HG2  GLU  46           HG2      GLU  46   4.690   8.826   5.950
  331    HG3  GLU  46           HG1      GLU  46   6.016   7.674   6.076
  332    H    CYS  47           HN       CYS  47   5.617   4.615   3.165
  333    HA   CYS  47           HA       CYS  47   5.618   4.458   0.361
  334    HB2  CYS  47           HB2      CYS  47   4.546   2.327   0.600
  335    HB3  CYS  47           HB1      CYS  47   5.655   2.491   1.954
  336    HA   PRO  48           HA       PRO  48   1.953   6.595  -0.865
  337    HB2  PRO  48           HB2      PRO  48   1.178   5.015  -2.986
  338    HB3  PRO  48           HB1      PRO  48   2.457   6.234  -3.066
  339    HG2  PRO  48           HG2      PRO  48   2.678   3.273  -2.687
  340    HG3  PRO  48           HG1      PRO  48   3.663   4.349  -3.698
  341    HD2  PRO  48           HD2      PRO  48   4.546   3.468  -1.328
  342    HD3  PRO  48           HD1      PRO  48   4.902   5.118  -1.883
  343    H    TRP  49           HN       TRP  49   1.939   3.502   0.388
  344    HA   TRP  49           HA       TRP  49  -0.862   2.903   0.143
  345    HB2  TRP  49           HB2      TRP  49   1.098   1.248   0.388
  346    HB3  TRP  49           HB1      TRP  49   1.094   1.683   2.096
  347    HD1  TRP  49           HD1      TRP  49  -1.874   0.769  -0.252
  348    HE1  TRP  49           HE1      TRP  49  -3.166  -1.176   0.844
  349    HE3  TRP  49           HE3      TRP  49   1.044   0.094   3.890
  350    HZ2  TRP  49           HZ2      TRP  49  -2.980  -2.761   3.169
  351    HZ3  TRP  49           HZ3      TRP  49   0.417  -1.649   5.503
  352    HH2  TRP  49           HH2      TRP  49  -1.561  -3.050   5.149
  353    H    HIS  50           HN       HIS  50   0.826   5.138   1.909
  354    HA   HIS  50           HA       HIS  50  -1.176   5.151   4.066
  355    HB2  HIS  50           HB2      HIS  50   1.366   6.784   3.847
  356    HB3  HIS  50           HB1      HIS  50   0.261   6.750   5.221
  357    HD1  HIS  50           HD1      HIS  50   0.062   3.486   5.139
  358    HD2  HIS  50           HD2      HIS  50   3.464   5.864   5.323
  359    HE1  HIS  50           HE1      HIS  50   1.885   2.056   6.171
  360    H    GLN  51           HN       GLN  51  -0.829   6.323   1.055
  361    HA   GLN  51           HA       GLN  51  -2.066   8.905   1.732
  362    HB2  GLN  51           HB2      GLN  51  -0.228   8.303  -0.591
  363    HB3  GLN  51           HB1      GLN  51  -1.070   9.825  -0.339
  364    HG2  GLN  51           HG2      GLN  51   0.887   8.654   1.614
  365    HG3  GLN  51           HG1      GLN  51   1.320   9.818   0.363
  366   HE21  GLN  51          HE21      GLN  51  -0.362   9.344   3.397
  367   HE22  GLN  51          HE22      GLN  51  -0.559  11.022   3.760
  368    H    CYS  52           HN       CYS  52  -3.856   9.498   0.667
  369    HA   CYS  52           HA       CYS  52  -5.426   7.475  -0.550
  370    HB2  CYS  52           HB2      CYS  52  -6.407   9.329   0.718
  371    HB3  CYS  52           HB1      CYS  52  -5.800  10.474  -0.468
  372    H    ASP  53           HN       ASP  53  -5.242   6.754  -2.544
  373    HA   ASP  53           HA       ASP  53  -3.512   7.846  -4.462
  374    HB2  ASP  53           HB2      ASP  53  -4.242   5.462  -4.390
  375    HB3  ASP  53           HB1      ASP  53  -5.830   5.960  -4.967
  376    H    VAL  54           HN       VAL  54  -6.770   8.617  -3.692
  377    HA   VAL  54           HA       VAL  54  -7.444   9.631  -6.297
  378    HB   VAL  54           HB       VAL  54  -8.916   9.923  -3.674
  379   HG11  VAL  54          HG11      VAL  54  -9.817  10.474  -6.494
  380   HG12  VAL  54          HG12      VAL  54  -9.515  11.679  -5.241
  381   HG13  VAL  54          HG13      VAL  54 -10.839  10.527  -5.057
  382   HG21  VAL  54          HG21      VAL  54 -10.384   8.180  -4.558
  383   HG22  VAL  54          HG22      VAL  54  -8.727   7.598  -4.394
  384   HG23  VAL  54          HG23      VAL  54  -9.356   8.032  -5.982
  385    H    CYS  55           HN       CYS  55  -6.749  11.118  -3.107
  386    HA   CYS  55           HA       CYS  55  -6.652  13.681  -4.544
  387    HB2  CYS  55           HB2      CYS  55  -7.386  14.792  -2.506
  388    HB3  CYS  55           HB1      CYS  55  -8.532  13.567  -3.028
  389    H    GLY  56           HN       GLY  56  -4.788  11.545  -2.605
  390    HA2  GLY  56           HA2      GLY  56  -2.488  11.748  -2.248
  391    HA3  GLY  56           HA1      GLY  56  -2.597  13.451  -2.672
  392    H    LYS  57           HN       LYS  57  -5.011  12.845  -0.494
  393    HA   LYS  57           HA       LYS  57  -3.523  14.048   1.668
  394    HB2  LYS  57           HB2      LYS  57  -6.404  13.172   1.455
  395    HB3  LYS  57           HB1      LYS  57  -5.717  13.941   2.877
  396    HG2  LYS  57           HG2      LYS  57  -5.225  15.937   1.580
  397    HG3  LYS  57           HG1      LYS  57  -5.867  15.164   0.129
  398    HD2  LYS  57           HD2      LYS  57  -8.058  14.966   1.226
  399    HD3  LYS  57           HD1      LYS  57  -7.407  15.777   2.649
  400    HE2  LYS  57           HE2      LYS  57  -7.011  17.787   1.371
  401    HE3  LYS  57           HE1      LYS  57  -7.519  16.981  -0.112
  402    HZ1  LYS  57           HZ1      LYS  57  -9.299  18.333   0.734
  403    HZ2  LYS  57           HZ2      LYS  57  -9.228  17.576   2.243
  404    HZ3  LYS  57           HZ3      LYS  57  -9.733  16.704   0.883
  405    H    GLU  58           HN       GLU  58  -3.977  13.123   3.933
  406    HA   GLU  58           HA       GLU  58  -2.657  10.692   4.226
  407    HB2  GLU  58           HB2      GLU  58  -2.910  12.493   5.955
  408    HB3  GLU  58           HB1      GLU  58  -4.565  11.958   6.199
  409    HG2  GLU  58           HG2      GLU  58  -3.241  11.018   7.925
  410    HG3  GLU  58           HG1      GLU  58  -3.674   9.718   6.818
  411    H    ALA  59           HN       ALA  59  -3.294   8.637   4.086
  412    HA   ALA  59           HA       ALA  59  -6.063   8.073   3.452
  413    HB1  ALA  59           HB1      ALA  59  -3.627   6.308   3.526
  414    HB2  ALA  59           HB2      ALA  59  -4.402   7.002   2.099
  415    HB3  ALA  59           HB3      ALA  59  -5.240   5.775   3.049
  416    H    ALA  60           HN       ALA  60  -7.450   6.853   4.630
  417    HA   ALA  60           HA       ALA  60  -6.677   6.371   7.421
  418    HB1  ALA  60           HB1      ALA  60  -9.036   6.539   7.968
  419    HB2  ALA  60           HB2      ALA  60  -9.442   6.713   6.260
  420    HB3  ALA  60           HB3      ALA  60  -8.513   7.968   7.080
  421    H    SER  61           HN       SER  61  -8.318   4.965   4.638
  422    HA   SER  61           HA       SER  61  -8.105   2.342   5.946
  423    HB2  SER  61           HB2      SER  61  -9.989   1.654   4.446
  424    HB3  SER  61           HB1      SER  61 -10.430   2.910   5.598
  425    HG   SER  61           HG       SER  61  -9.496   3.708   3.090
  426    H    PHE  62           HN       PHE  62  -7.224   0.654   4.768
  427    HA   PHE  62           HA       PHE  62  -5.742   1.514   2.365
  428    HB2  PHE  62           HB2      PHE  62  -4.678  -0.506   4.332
  429    HB3  PHE  62           HB1      PHE  62  -3.779   0.503   3.193
  430    HD1  PHE  62           HD1      PHE  62  -4.763   0.073   6.549
  431    HD2  PHE  62           HD2      PHE  62  -3.876   3.079   3.674
  432    HE1  PHE  62           HE1      PHE  62  -4.369   1.687   8.362
  433    HE2  PHE  62           HE2      PHE  62  -3.483   4.697   5.483
  434    HZ   PHE  62           HZ       PHE  62  -3.723   4.002   7.829
  435    H    CYS  63           HN       CYS  63  -5.991   0.198   0.603
  436    HA   CYS  63           HA       CYS  63  -7.596  -2.141   0.716
  437    HB2  CYS  63           HB2      CYS  63  -7.277  -0.764  -1.363
  438    HB3  CYS  63           HB1      CYS  63  -5.640  -1.411  -1.478
  439    H    GLU  64           HN       GLU  64  -7.069  -4.128   1.308
  440    HA   GLU  64           HA       GLU  64  -4.310  -4.639   2.067
  441    HB2  GLU  64           HB2      GLU  64  -6.787  -6.331   2.454
  442    HB3  GLU  64           HB1      GLU  64  -5.208  -6.648   3.159
  443    HG2  GLU  64           HG2      GLU  64  -5.359  -4.503   4.381
  444    HG3  GLU  64           HG1      GLU  64  -6.980  -4.279   3.728
  445    H    MET  65           HN       MET  65  -5.424  -4.645  -0.794
  446    HA   MET  65           HA       MET  65  -4.150  -7.196  -1.529
  447    HB2  MET  65           HB2      MET  65  -6.492  -5.868  -2.895
  448    HB3  MET  65           HB1      MET  65  -5.609  -7.251  -3.539
  449    HG2  MET  65           HG2      MET  65  -6.265  -8.576  -1.594
  450    HG3  MET  65           HG1      MET  65  -7.154  -7.196  -0.951
  451    HE1  MET  65           HE1      MET  65  -8.290  -9.409  -4.844
  452    HE2  MET  65           HE2      MET  65  -6.921  -9.855  -3.827
  453    HE3  MET  65           HE3      MET  65  -6.895  -8.338  -4.725
  454    H    CYS  66           HN       CYS  66  -3.957  -3.844  -1.734
  455    HA   CYS  66           HA       CYS  66  -1.814  -3.962  -3.606
  456    HB2  CYS  66           HB2      CYS  66  -2.742  -2.744  -5.427
  457    HB3  CYS  66           HB1      CYS  66  -3.911  -4.010  -5.070
  458    HA   PRO  67           HA       PRO  67  -0.680  -0.281  -1.485
  459    HB2  PRO  67           HB2      PRO  67   0.263   1.064  -3.918
  460    HB3  PRO  67           HB1      PRO  67   1.195   0.434  -2.556
  461    HG2  PRO  67           HG2      PRO  67   1.260  -0.729  -4.978
  462    HG3  PRO  67           HG1      PRO  67   1.366  -1.669  -3.479
  463    HD2  PRO  67           HD2      PRO  67  -1.020  -1.219  -5.258
  464    HD3  PRO  67           HD1      PRO  67  -0.446  -2.731  -4.506
  465    H    SER  68           HN       SER  68  -3.297  -0.155  -3.417
  466    HA   SER  68           HA       SER  68  -3.578   2.721  -3.592
  467    HB2  SER  68           HB2      SER  68  -5.627   0.563  -4.159
  468    HB3  SER  68           HB1      SER  68  -5.736   2.262  -4.618
  469    HG   SER  68           HG       SER  68  -3.412   1.149  -5.480
  470    H    SER  69           HN       SER  69  -3.848   3.722  -1.713
  471    HA   SER  69           HA       SER  69  -5.843   2.656   0.168
  472    HB2  SER  69           HB2      SER  69  -4.596   4.234   1.794
  473    HB3  SER  69           HB1      SER  69  -3.781   2.741   1.319
  474    HG   SER  69           HG       SER  69  -3.385   5.270   0.071
  475    H    PHE  70           HN       PHE  70  -7.101   4.366   1.357
  476    HA   PHE  70           HA       PHE  70  -7.549   6.723  -0.339
  477    HB2  PHE  70           HB2      PHE  70  -9.739   4.872   0.632
  478    HB3  PHE  70           HB1      PHE  70  -9.967   6.356  -0.297
  479    HD1  PHE  70           HD1      PHE  70  -8.911   6.454  -2.612
  480    HD2  PHE  70           HD2      PHE  70  -9.468   2.838  -0.452
  481    HE1  PHE  70           HE1      PHE  70  -8.744   5.183  -4.712
  482    HE2  PHE  70           HE2      PHE  70  -9.306   1.554  -2.545
  483    HZ   PHE  70           HZ       PHE  70  -8.924   2.705  -4.664
  484    H    CYS  71           HN       CYS  71  -8.580   8.463   0.685
  485    HA   CYS  71           HA       CYS  71  -8.071   8.647   3.518
  486    HB2  CYS  71           HB2      CYS  71  -8.618  10.986   3.282
  487    HB3  CYS  71           HB1      CYS  71  -7.620  10.519   1.911
  488    H    LYS  72           HN       LYS  72  -9.973  10.053   4.681
  489    HA   LYS  72           HA       LYS  72 -12.048   8.194   5.108
  490    HB2  LYS  72           HB2      LYS  72 -11.885  11.106   5.884
  491    HB3  LYS  72           HB1      LYS  72 -13.044   9.948   6.523
  492    HG2  LYS  72           HG2      LYS  72 -11.325   8.692   7.583
  493    HG3  LYS  72           HG1      LYS  72 -10.067   9.617   6.765
  494    HD2  LYS  72           HD2      LYS  72 -10.780  11.629   7.975
  495    HD3  LYS  72           HD1      LYS  72 -12.009  10.677   8.811
  496    HE2  LYS  72           HE2      LYS  72 -10.343   9.341   9.878
  497    HE3  LYS  72           HE1      LYS  72  -9.064  10.064   8.905
  498    HZ1  LYS  72           HZ1      LYS  72  -9.421  12.156   9.996
  499    HZ2  LYS  72           HZ2      LYS  72  -9.175  10.963  11.170
  500    HZ3  LYS  72           HZ3      LYS  72 -10.733  11.537  10.866
  501    H    GLN  73           HN       GLN  73 -11.750  11.008   3.089
  502    HA   GLN  73           HA       GLN  73 -14.493  11.284   2.409
  503    HB2  GLN  73           HB2      GLN  73 -11.998  12.170   0.961
  504    HB3  GLN  73           HB1      GLN  73 -13.626  12.668   0.527
  505    HG2  GLN  73           HG2      GLN  73 -13.874  13.809   2.643
  506    HG3  GLN  73           HG1      GLN  73 -12.300  13.221   3.175
  507   HE21  GLN  73          HE21      GLN  73 -13.972  15.408   1.041
  508   HE22  GLN  73          HE22      GLN  73 -12.604  16.396   0.663
  509    H    HIS  74           HN       HIS  74 -11.753   9.643   0.873
  510    HA   HIS  74           HA       HIS  74 -13.512   8.920  -1.360
  511    HB2  HIS  74           HB2      HIS  74 -10.493   8.995  -1.183
  512    HB3  HIS  74           HB1      HIS  74 -11.402   8.478  -2.607
  513    HD2  HIS  74           HD2      HIS  74 -13.594  10.832  -2.721
  514    HE1  HIS  74           HE1      HIS  74 -10.263  13.423  -2.718
  515    HE2  HIS  74           HE2      HIS  74 -12.684  13.159  -3.409
  516    H    ARG  75           HN       ARG  75 -13.050   7.458   1.344
  517    HA   ARG  75           HA       ARG  75 -12.145   4.887   0.376
  518    HB2  ARG  75           HB2      ARG  75 -12.688   4.072   2.648
  519    HB3  ARG  75           HB1      ARG  75 -11.591   5.445   2.654
  520    HG2  ARG  75           HG2      ARG  75 -13.554   6.908   3.138
  521    HG3  ARG  75           HG1      ARG  75 -14.525   5.444   3.309
  522    HD2  ARG  75           HD2      ARG  75 -13.237   4.710   5.168
  523    HD3  ARG  75           HD1      ARG  75 -12.021   5.957   4.910
  524    HE   ARG  75           HE       ARG  75 -14.361   7.326   5.305
  525   HH11  ARG  75          HH11      ARG  75 -12.604   4.916   7.145
  526   HH12  ARG  75          HH12      ARG  75 -13.063   5.579   8.681
  527   HH21  ARG  75          HH21      ARG  75 -14.961   8.198   7.330
  528   HH22  ARG  75          HH22      ARG  75 -14.405   7.433   8.785
  529    H    GLU  76           HN       GLU  76 -15.163   6.508   0.979
  530    HA   GLU  76           HA       GLU  76 -16.805   4.202   0.847
  531    HB2  GLU  76           HB2      GLU  76 -17.365   7.137   0.512
  532    HB3  GLU  76           HB1      GLU  76 -18.624   5.918   0.354
  533    HG2  GLU  76           HG2      GLU  76 -18.239   5.182   2.627
  534    HG3  GLU  76           HG1      GLU  76 -16.911   6.328   2.796
  535    H    GLY  77           HN       GLY  77 -17.560   3.110  -0.861
  536    HA2  GLY  77           HA2      GLY  77 -18.233   2.698  -3.039
  537    HA3  GLY  77           HA1      GLY  77 -17.793   4.348  -3.456
  538    H    MET  78           HN       MET  78 -15.069   3.800  -2.208
  539    HA   MET  78           HA       MET  78 -13.949   2.583  -4.632
  540    HB2  MET  78           HB2      MET  78 -12.639   4.353  -2.546
  541    HB3  MET  78           HB1      MET  78 -11.828   3.690  -3.959
  542    HG2  MET  78           HG2      MET  78 -14.143   5.626  -3.990
  543    HG3  MET  78           HG1      MET  78 -12.455   6.013  -4.321
  544    HE1  MET  78           HE1      MET  78 -11.810   4.064  -7.658
  545    HE2  MET  78           HE2      MET  78 -11.548   3.444  -6.030
  546    HE3  MET  78           HE3      MET  78 -11.114   5.108  -6.419
  547    H    LEU  79           HN       LEU  79 -13.987   2.287  -1.132
  548    HA   LEU  79           HA       LEU  79 -12.490  -0.231  -1.418
  549    HB2  LEU  79           HB2      LEU  79 -11.283   1.730  -0.287
  550    HB3  LEU  79           HB1      LEU  79 -12.442   1.547   1.016
  551    HG   LEU  79           HG       LEU  79 -11.616  -0.738   1.424
  552   HD11  LEU  79          HD11      LEU  79 -10.849  -1.308  -0.805
  553   HD12  LEU  79          HD12      LEU  79  -9.526  -1.459   0.348
  554   HD13  LEU  79          HD13      LEU  79  -9.608  -0.061  -0.721
  555   HD21  LEU  79          HD21      LEU  79  -9.556   1.460   1.409
  556   HD22  LEU  79          HD22      LEU  79  -9.383  -0.060   2.283
  557   HD23  LEU  79          HD23      LEU  79 -10.679   1.059   2.706
  558    H    PHE  80           HN       PHE  80 -13.337  -1.986  -0.353
  559    HA   PHE  80           HA       PHE  80 -15.534  -1.645   1.513
  560    HB2  PHE  80           HB2      PHE  80 -17.017  -3.168   0.214
  561    HB3  PHE  80           HB1      PHE  80 -16.717  -1.646  -0.609
  562    HD1  PHE  80           HD1      PHE  80 -15.432  -1.573  -2.661
  563    HD2  PHE  80           HD2      PHE  80 -16.120  -5.259  -0.639
  564    HE1  PHE  80           HE1      PHE  80 -14.722  -2.804  -4.663
  565    HE2  PHE  80           HE2      PHE  80 -15.411  -6.489  -2.644
  566    HZ   PHE  80           HZ       PHE  80 -14.712  -5.262  -4.659
  567    H    ILE  81           HN       ILE  81 -16.221  -3.811   2.403
  568    HA   ILE  81           HA       ILE  81 -13.845  -5.409   2.894
  569    HB   ILE  81           HB       ILE  81 -16.603  -5.482   4.113
  570   HG12  ILE  81          HG12      ILE  81 -15.095  -3.607   4.763
  571   HG13  ILE  81          HG11      ILE  81 -15.514  -4.661   6.108
  572   HG21  ILE  81          HG21      ILE  81 -15.686  -7.128   5.706
  573   HG22  ILE  81          HG22      ILE  81 -14.225  -7.224   4.721
  574   HG23  ILE  81          HG23      ILE  81 -15.773  -7.745   4.055
  575   HD11  ILE  81          HD11      ILE  81 -12.922  -4.642   4.585
  576   HD12  ILE  81          HD12      ILE  81 -13.340  -5.784   5.862
  577   HD13  ILE  81          HD13      ILE  81 -13.194  -4.065   6.228
  578    H    SER  82           HN       SER  82 -13.409  -7.238   1.895
  579    HA   SER  82           HA       SER  82 -15.377  -8.392   0.093
  580    HB2  SER  82           HB2      SER  82 -13.051  -8.030  -0.675
  581    HB3  SER  82           HB1      SER  82 -12.482  -9.140   0.572
  582    HG   SER  82           HG       SER  82 -13.562  -9.665  -1.876
  583    H    LYS  83           HN       LYS  83 -16.405 -10.279   0.432
  584    HA   LYS  83           HA       LYS  83 -16.496 -11.278   3.106
  585    HB2  LYS  83           HB2      LYS  83 -17.833 -12.247   0.581
  586    HB3  LYS  83           HB1      LYS  83 -18.189 -12.842   2.196
  587    HG2  LYS  83           HG2      LYS  83 -19.096 -10.768   2.867
  588    HG3  LYS  83           HG1      LYS  83 -18.467  -9.947   1.441
  589    HD2  LYS  83           HD2      LYS  83 -20.829 -10.302   1.156
  590    HD3  LYS  83           HD1      LYS  83 -19.958 -11.346   0.036
  591    HE2  LYS  83           HE2      LYS  83 -21.734 -12.619   0.988
  592    HE3  LYS  83           HE1      LYS  83 -20.224 -13.203   1.680
  593    HZ1  LYS  83           HZ1      LYS  83 -22.093 -11.310   2.997
  594    HZ2  LYS  83           HZ2      LYS  83 -20.663 -11.917   3.668
  595    HZ3  LYS  83           HZ3      LYS  83 -21.955 -12.958   3.352
  596    H    LEU  84           HN       LEU  84 -14.376 -11.881   0.662
  597    HA   LEU  84           HA       LEU  84 -14.124 -14.714   0.840
  598    HB2  LEU  84           HB2      LEU  84 -12.165 -12.646  -0.148
  599    HB3  LEU  84           HB1      LEU  84 -12.027 -14.375  -0.400
  600    HG   LEU  84           HG       LEU  84 -14.230 -12.623  -1.499
  601   HD11  LEU  84          HD11      LEU  84 -12.096 -12.161  -2.565
  602   HD12  LEU  84          HD12      LEU  84 -13.168 -13.026  -3.666
  603   HD13  LEU  84          HD13      LEU  84 -11.855 -13.883  -2.861
  604   HD21  LEU  84          HD21      LEU  84 -14.796 -14.617  -2.837
  605   HD22  LEU  84          HD22      LEU  84 -15.025 -14.873  -1.109
  606   HD23  LEU  84          HD23      LEU  84 -13.610 -15.546  -1.920
  607    H    ASP  85           HN       ASP  85 -12.106 -12.030   2.064
  608    HA   ASP  85           HA       ASP  85 -11.121 -13.877   4.146
  609    HB2  ASP  85           HB2      ASP  85  -9.532 -11.579   3.007
  610    HB3  ASP  85           HB1      ASP  85  -8.961 -12.832   4.097
  611    H    GLY  86           HN       GLY  86 -12.967 -11.193   3.634
  612    HA2  GLY  86           HA2      GLY  86 -13.817  -9.625   5.099
  613    HA3  GLY  86           HA1      GLY  86 -12.809 -10.317   6.363
  614    H    ARG  87           HN       ARG  87 -11.341  -9.403   3.395
  615    HA   ARG  87           HA       ARG  87  -9.794  -7.381   4.812
  616    HB2  ARG  87           HB2      ARG  87  -9.421  -8.736   2.142
  617    HB3  ARG  87           HB1      ARG  87  -8.370  -7.461   2.738
  618    HG2  ARG  87           HG2      ARG  87  -7.729  -8.843   4.630
  619    HG3  ARG  87           HG1      ARG  87  -8.817 -10.118   4.079
  620    HD2  ARG  87           HD2      ARG  87  -7.537 -10.270   1.984
  621    HD3  ARG  87           HD1      ARG  87  -6.431  -9.037   2.587
  622    HE   ARG  87           HE       ARG  87  -6.415 -11.012   4.493
  623   HH11  ARG  87          HH11      ARG  87  -5.756 -10.854   1.059
  624   HH12  ARG  87          HH12      ARG  87  -4.554 -12.102   1.097
  625   HH21  ARG  87          HH21      ARG  87  -4.833 -12.677   4.547
  626   HH22  ARG  87          HH22      ARG  87  -4.035 -13.142   3.076
  627    H    LEU  88           HN       LEU  88  -9.485  -5.300   4.034
  628    HA   LEU  88           HA       LEU  88 -11.634  -4.114   2.566
  629    HB2  LEU  88           HB2      LEU  88  -8.975  -3.084   3.540
  630    HB3  LEU  88           HB1      LEU  88 -10.058  -2.101   2.584
  631    HG   LEU  88           HG       LEU  88 -10.953  -3.344   5.164
  632   HD11  LEU  88          HD11      LEU  88  -9.690  -0.629   4.788
  633   HD12  LEU  88          HD12      LEU  88  -8.929  -2.002   5.587
  634   HD13  LEU  88          HD13      LEU  88 -10.372  -1.268   6.284
  635   HD21  LEU  88          HD21      LEU  88 -12.686  -2.492   3.668
  636   HD22  LEU  88          HD22      LEU  88 -11.858  -0.936   3.587
  637   HD23  LEU  88          HD23      LEU  88 -12.553  -1.486   5.111
  638    H    SER  89           HN       SER  89 -11.856  -4.343   0.451
  639    HA   SER  89           HA       SER  89  -9.421  -4.471  -1.199
  640    HB2  SER  89           HB2      SER  89 -10.578  -6.671  -1.012
  641    HB3  SER  89           HB1      SER  89 -12.025  -5.940  -1.708
  642    HG   SER  89           HG       SER  89  -9.756  -6.830  -2.935
  643    H    CYS  90           HN       CYS  90  -9.361  -3.178  -2.955
  644    HA   CYS  90           HA       CYS  90 -11.353  -1.095  -3.080
  645    HB2  CYS  90           HB2      CYS  90  -9.820   0.073  -4.520
  646    HB3  CYS  90           HB1      CYS  90  -8.876  -0.652  -3.219
  647    H    THR  91           HN       THR  91 -12.095  -0.308  -5.234
  648    HA   THR  91           HA       THR  91 -13.477  -2.428  -6.571
  649    HB   THR  91           HB       THR  91 -14.346  -0.473  -7.970
  650    HG1  THR  91           HG1      THR  91 -13.358   1.370  -7.670
  651   HG21  THR  91          HG21      THR  91 -15.790   0.318  -6.165
  652   HG22  THR  91          HG22      THR  91 -14.687  -0.369  -4.972
  653   HG23  THR  91          HG23      THR  91 -15.569  -1.429  -6.070
  654    H    GLU  92           HN       GLU  92 -10.418  -1.259  -6.966
  655    HA   GLU  92           HA       GLU  92 -10.340  -1.263  -9.853
  656    HB2  GLU  92           HB2      GLU  92  -8.144  -1.057  -7.786
  657    HB3  GLU  92           HB1      GLU  92  -7.891  -0.941  -9.520
  658    HG2  GLU  92           HG2      GLU  92  -9.591   0.926  -7.879
  659    HG3  GLU  92           HG1      GLU  92  -7.950   1.254  -8.431
  660    H    HIS  93           HN       HIS  93 -10.712  -3.678  -7.769
  661    HA   HIS  93           HA       HIS  93  -8.900  -5.506  -9.198
  662    HB2  HIS  93           HB2      HIS  93 -10.294  -5.901  -6.542
  663    HB3  HIS  93           HB1      HIS  93  -9.257  -7.084  -7.328
  664    HD1  HIS  93           HD1      HIS  93  -7.110  -4.716  -8.132
  665    HD2  HIS  93           HD2      HIS  93  -8.580  -5.757  -4.389
  666    HE1  HIS  93           HE1      HIS  93  -5.414  -3.896  -6.443
  667    H    ASP  94           HN       ASP  94 -10.973  -4.772 -10.646
  668    HA   ASP  94           HA       ASP  94 -13.158  -6.648 -10.318
  669    HB2  ASP  94           HB2      ASP  94 -13.704  -4.412 -11.070
  670    HB3  ASP  94           HB1      ASP  94 -12.585  -4.556 -12.418
  Start of MODEL    6
    1    H1   GLY   1           HT1      GLY   1  11.671 -11.445   6.120
    2    H2   GLY   1           HT2      GLY   1  11.797 -13.104   6.445
    3    H3   GLY   1           HT3      GLY   1  11.689 -11.999   7.722
    4    HA2  GLY   1           HA1      GLY   1   9.565 -12.550   5.732
    5    HA3  GLY   1           HA2      GLY   1   9.587 -13.133   7.391
    6    H    ALA   2           HN       ALA   2   7.413 -11.854   6.941
    7    HA   ALA   2           HA       ALA   2   7.665  -8.991   7.151
    8    HB1  ALA   2           HB1      ALA   2   5.194 -10.706   7.320
    9    HB2  ALA   2           HB2      ALA   2   5.872 -10.038   5.836
   10    HB3  ALA   2           HB3      ALA   2   5.249  -8.959   7.083
   11    H    MET   3           HN       MET   3   9.006  -9.690   9.267
   12    HA   MET   3           HA       MET   3   7.319  -9.830  11.616
   13    HB2  MET   3           HB2      MET   3   9.528 -10.872  11.682
   14    HB3  MET   3           HB1      MET   3  10.293  -9.335  11.316
   15    HG2  MET   3           HG2      MET   3   9.434  -8.442  13.459
   16    HG3  MET   3           HG1      MET   3   8.792 -10.041  13.829
   17    HE1  MET   3           HE1      MET   3  10.283 -12.180  14.229
   18    HE2  MET   3           HE2      MET   3  12.044 -12.190  14.139
   19    HE3  MET   3           HE3      MET   3  11.088 -11.958  12.675
   20    H    GLU   4           HN       GLU   4   9.720  -7.472  10.488
   21    HA   GLU   4           HA       GLU   4   7.939  -5.323  11.420
   22    HB2  GLU   4           HB2      GLU   4  10.920  -5.571  11.506
   23    HB3  GLU   4           HB1      GLU   4  10.182  -3.979  11.403
   24    HG2  GLU   4           HG2      GLU   4   9.662  -6.021  13.546
   25    HG3  GLU   4           HG1      GLU   4  10.688  -4.596  13.699
   26    H    ARG   5           HN       ARG   5  10.286  -6.319   8.985
   27    HA   ARG   5           HA       ARG   5   8.928  -4.556   7.078
   28    HB2  ARG   5           HB2      ARG   5  11.886  -5.163   7.199
   29    HB3  ARG   5           HB1      ARG   5  11.097  -4.248   5.921
   30    HG2  ARG   5           HG2      ARG   5  10.352  -2.626   7.698
   31    HG3  ARG   5           HG1      ARG   5  11.422  -3.480   8.810
   32    HD2  ARG   5           HD2      ARG   5  12.226  -2.098   6.257
   33    HD3  ARG   5           HD1      ARG   5  12.515  -1.516   7.893
   34    HE   ARG   5           HE       ARG   5  13.632  -4.114   7.409
   35   HH11  ARG   5          HH11      ARG   5  14.145  -0.677   7.007
   36   HH12  ARG   5          HH12      ARG   5  15.876  -0.802   7.020
   37   HH21  ARG   5          HH21      ARG   5  15.908  -4.291   7.419
   38   HH22  ARG   5          HH22      ARG   5  16.880  -2.864   7.254
   39    H    GLU   6           HN       GLU   6   8.259  -5.514   5.272
   40    HA   GLU   6           HA       GLU   6   8.177  -8.356   5.228
   41    HB2  GLU   6           HB2      GLU   6   6.360  -6.735   4.550
   42    HB3  GLU   6           HB1      GLU   6   7.277  -6.435   3.084
   43    HG2  GLU   6           HG2      GLU   6   6.900  -8.595   2.275
   44    HG3  GLU   6           HG1      GLU   6   6.387  -9.189   3.856
   45    H    ASP   7           HN       ASP   7   8.818  -9.720   3.426
   46    HA   ASP   7           HA       ASP   7  11.247  -8.721   2.083
   47    HB2  ASP   7           HB2      ASP   7  10.612 -11.415   3.246
   48    HB3  ASP   7           HB1      ASP   7  11.812 -11.248   1.973
   49    H    GLU   8           HN       GLU   8   8.437  -8.683   1.168
   50    HA   GLU   8           HA       GLU   8   8.931  -9.766  -1.472
   51    HB2  GLU   8           HB2      GLU   8   7.817 -11.604  -0.236
   52    HB3  GLU   8           HB1      GLU   8   6.483 -10.525   0.137
   53    HG2  GLU   8           HG2      GLU   8   5.863 -10.385  -2.163
   54    HG3  GLU   8           HG1      GLU   8   7.306 -11.272  -2.655
   55    H    CYS   9           HN       CYS   9   7.719  -8.659  -3.083
   56    HA   CYS   9           HA       CYS   9   6.930  -6.031  -2.183
   57    HB2  CYS   9           HB2      CYS   9   8.242  -6.219  -4.229
   58    HB3  CYS   9           HB1      CYS   9   7.008  -7.258  -4.942
   59    H    PHE  10           HN       PHE  10   4.952  -5.619  -1.538
   60    HA   PHE  10           HA       PHE  10   2.784  -7.399  -1.882
   61    HB2  PHE  10           HB2      PHE  10   2.960  -5.915   0.046
   62    HB3  PHE  10           HB1      PHE  10   2.852  -4.501  -0.995
   63    HD1  PHE  10           HD1      PHE  10   0.835  -3.443  -1.137
   64    HD2  PHE  10           HD2      PHE  10   0.913  -7.599  -0.217
   65    HE1  PHE  10           HE1      PHE  10  -1.603  -3.424  -0.855
   66    HE2  PHE  10           HE2      PHE  10  -1.529  -7.584   0.064
   67    HZ   PHE  10           HZ       PHE  10  -2.785  -5.494  -0.253
   68    H    SER  11           HN       SER  11   4.021  -4.854  -3.820
   69    HA   SER  11           HA       SER  11   1.594  -4.296  -5.244
   70    HB2  SER  11           HB2      SER  11   3.354  -2.592  -4.956
   71    HB3  SER  11           HB1      SER  11   4.454  -3.582  -5.910
   72    HG   SER  11           HG       SER  11   2.096  -3.129  -7.201
   73    H    CYS  12           HN       CYS  12   4.332  -6.457  -5.683
   74    HA   CYS  12           HA       CYS  12   3.267  -7.173  -8.339
   75    HB2  CYS  12           HB2      CYS  12   6.109  -7.491  -7.358
   76    HB3  CYS  12           HB1      CYS  12   5.518  -7.833  -8.983
   77    H    GLY  13           HN       GLY  13   4.227  -8.388  -5.223
   78    HA2  GLY  13           HA2      GLY  13   3.650 -10.469  -4.317
   79    HA3  GLY  13           HA1      GLY  13   3.247 -11.039  -5.933
   80    H    ASP  14           HN       ASP  14   6.134  -9.509  -6.171
   81    HA   ASP  14           HA       ASP  14   7.608 -12.037  -5.897
   82    HB2  ASP  14           HB2      ASP  14   7.913  -9.798  -7.899
   83    HB3  ASP  14           HB1      ASP  14   9.123 -11.057  -7.682
   84    H    ALA  15           HN       ALA  15   9.781 -11.938  -5.219
   85    HA   ALA  15           HA       ALA  15  10.488  -9.505  -3.729
   86    HB1  ALA  15           HB1      ALA  15  11.524 -12.306  -3.329
   87    HB2  ALA  15           HB2      ALA  15  10.241 -11.551  -2.383
   88    HB3  ALA  15           HB3      ALA  15  11.876 -10.894  -2.331
   89    H    GLY  16           HN       GLY  16  12.802  -8.936  -3.702
   90    HA2  GLY  16           HA2      GLY  16  14.953  -9.572  -4.949
   91    HA3  GLY  16           HA1      GLY  16  13.937  -9.405  -6.374
   92    H    GLN  17           HN       GLN  17  15.617  -7.735  -3.838
   93    HA   GLN  17           HA       GLN  17  16.344  -5.606  -3.604
   94    HB2  GLN  17           HB2      GLN  17  16.991  -5.823  -5.980
   95    HB3  GLN  17           HB1      GLN  17  15.410  -5.218  -6.449
   96    HG2  GLN  17           HG2      GLN  17  15.893  -3.105  -5.312
   97    HG3  GLN  17           HG1      GLN  17  17.491  -3.714  -4.883
   98   HE21  GLN  17          HE21      GLN  17  15.445  -2.582  -7.443
   99   HE22  GLN  17          HE22      GLN  17  16.697  -2.343  -8.613
  100    H    LEU  18           HN       LEU  18  14.780  -5.240  -2.039
  101    HA   LEU  18           HA       LEU  18  12.363  -3.839  -2.949
  102    HB2  LEU  18           HB2      LEU  18  12.799  -5.474  -0.451
  103    HB3  LEU  18           HB1      LEU  18  11.317  -4.625  -0.859
  104    HG   LEU  18           HG       LEU  18  12.443  -6.723  -2.681
  105   HD11  LEU  18          HD11      LEU  18  10.592  -7.147  -0.352
  106   HD12  LEU  18          HD12      LEU  18  12.223  -7.795  -0.530
  107   HD13  LEU  18          HD13      LEU  18  10.936  -8.330  -1.609
  108   HD21  LEU  18          HD21      LEU  18  10.721  -5.212  -3.536
  109   HD22  LEU  18          HD22      LEU  18   9.659  -5.689  -2.215
  110   HD23  LEU  18          HD23      LEU  18  10.146  -6.873  -3.425
  111    H    VAL  19           HN       VAL  19  11.744  -1.983  -1.956
  112    HA   VAL  19           HA       VAL  19  13.594  -0.813   0.011
  113    HB   VAL  19           HB       VAL  19  13.602   0.543  -1.978
  114   HG11  VAL  19          HG11      VAL  19  10.595   0.572  -1.784
  115   HG12  VAL  19          HG12      VAL  19  11.570  -0.178  -3.049
  116   HG13  VAL  19          HG13      VAL  19  11.548   1.576  -2.879
  117   HG21  VAL  19          HG21      VAL  19  11.875   1.814   0.139
  118   HG22  VAL  19          HG22      VAL  19  12.750   2.684  -1.121
  119   HG23  VAL  19          HG23      VAL  19  13.637   1.776   0.102
  120    H    SER  20           HN       SER  20  12.783  -0.358   1.978
  121    HA   SER  20           HA       SER  20   9.946  -0.987   2.359
  122    HB2  SER  20           HB2      SER  20  11.713  -2.387   3.504
  123    HB3  SER  20           HB1      SER  20  12.100  -0.966   4.473
  124    HG   SER  20           HG       SER  20   9.585  -2.288   4.339
  125    H    CYS  21           HN       CYS  21   8.872   0.087   4.145
  126    HA   CYS  21           HA       CYS  21   8.958   2.924   3.834
  127    HB2  CYS  21           HB2      CYS  21   6.989   1.225   4.343
  128    HB3  CYS  21           HB1      CYS  21   7.438   1.544   6.018
  129    H    LYS  22           HN       LYS  22   9.718   4.471   5.313
  130    HA   LYS  22           HA       LYS  22  11.548   3.388   7.315
  131    HB2  LYS  22           HB2      LYS  22  11.298   6.107   6.046
  132    HB3  LYS  22           HB1      LYS  22  12.350   5.804   7.422
  133    HG2  LYS  22           HG2      LYS  22  13.492   4.047   6.074
  134    HG3  LYS  22           HG1      LYS  22  12.520   4.553   4.691
  135    HD2  LYS  22           HD2      LYS  22  13.494   6.731   4.711
  136    HD3  LYS  22           HD1      LYS  22  14.297   6.418   6.248
  137    HE2  LYS  22           HE2      LYS  22  15.914   6.253   4.475
  138    HE3  LYS  22           HE1      LYS  22  15.633   4.649   5.144
  139    HZ1  LYS  22           HZ1      LYS  22  14.473   5.718   2.630
  140    HZ2  LYS  22           HZ2      LYS  22  14.148   4.193   3.279
  141    HZ3  LYS  22           HZ3      LYS  22  15.707   4.569   2.750
  142    H    LYS  23           HN       LYS  23   8.557   3.647   7.644
  143    HA   LYS  23           HA       LYS  23   8.682   5.129  10.181
  144    HB2  LYS  23           HB2      LYS  23   6.269   4.657   8.420
  145    HB3  LYS  23           HB1      LYS  23   6.211   5.386  10.020
  146    HG2  LYS  23           HG2      LYS  23   7.858   7.111   9.080
  147    HG3  LYS  23           HG1      LYS  23   7.395   6.487   7.496
  148    HD2  LYS  23           HD2      LYS  23   5.549   7.675   9.571
  149    HD3  LYS  23           HD1      LYS  23   6.062   8.437   8.067
  150    HE2  LYS  23           HE2      LYS  23   4.953   6.646   6.800
  151    HE3  LYS  23           HE1      LYS  23   4.407   5.924   8.315
  152    HZ1  LYS  23           HZ1      LYS  23   3.704   8.646   7.351
  153    HZ2  LYS  23           HZ2      LYS  23   3.153   7.925   8.782
  154    HZ3  LYS  23           HZ3      LYS  23   2.690   7.290   7.285
  155    HA   PRO  24           HA       PRO  24   8.460   0.985  11.936
  156    HB2  PRO  24           HB2      PRO  24   7.755   2.674  14.291
  157    HB3  PRO  24           HB1      PRO  24   8.914   1.346  14.168
  158    HG2  PRO  24           HG2      PRO  24   9.755   3.864  14.233
  159    HG3  PRO  24           HG1      PRO  24  10.533   2.674  13.173
  160    HD2  PRO  24           HD2      PRO  24   8.636   4.875  12.482
  161    HD3  PRO  24           HD1      PRO  24  10.006   4.231  11.554
  162    H    GLY  25           HN       GLY  25   6.761  -0.356  12.078
  163    HA2  GLY  25           HA2      GLY  25   4.530  -0.825  12.953
  164    HA3  GLY  25           HA1      GLY  25   4.095   0.832  12.536
  165    H    CYS  26           HN       CYS  26   5.662   0.554   9.992
  166    HA   CYS  26           HA       CYS  26   3.522  -0.674   8.429
  167    HB2  CYS  26           HB2      CYS  26   4.495   1.659   8.001
  168    HB3  CYS  26           HB1      CYS  26   5.931   0.831   7.402
  169    HA   PRO  27           HA       PRO  27   6.495  -4.060   7.997
  170    HB2  PRO  27           HB2      PRO  27   4.751  -6.063   8.091
  171    HB3  PRO  27           HB1      PRO  27   5.051  -5.086   9.537
  172    HG2  PRO  27           HG2      PRO  27   2.738  -5.033   7.652
  173    HG3  PRO  27           HG1      PRO  27   2.761  -4.788   9.414
  174    HD2  PRO  27           HD2      PRO  27   2.746  -2.770   7.417
  175    HD3  PRO  27           HD1      PRO  27   3.030  -2.547   9.159
  176    H    LYS  28           HN       LYS  28   5.223  -2.510   5.705
  177    HA   LYS  28           HA       LYS  28   4.950  -4.710   3.770
  178    HB2  LYS  28           HB2      LYS  28   3.402  -2.360   4.200
  179    HB3  LYS  28           HB1      LYS  28   4.197  -2.187   2.631
  180    HG2  LYS  28           HG2      LYS  28   1.971  -3.212   2.439
  181    HG3  LYS  28           HG1      LYS  28   3.253  -4.290   1.882
  182    HD2  LYS  28           HD2      LYS  28   3.155  -5.546   3.946
  183    HD3  LYS  28           HD1      LYS  28   1.993  -4.405   4.625
  184    HE2  LYS  28           HE2      LYS  28   0.331  -5.057   3.030
  185    HE3  LYS  28           HE1      LYS  28   1.494  -6.048   2.150
  186    HZ1  LYS  28           HZ1      LYS  28   0.057  -7.399   3.544
  187    HZ2  LYS  28           HZ2      LYS  28   0.543  -6.546   4.919
  188    HZ3  LYS  28           HZ3      LYS  28   1.659  -7.495   4.079
  189    H    VAL  29           HN       VAL  29   6.000  -4.529   1.714
  190    HA   VAL  29           HA       VAL  29   8.082  -2.490   1.479
  191    HB   VAL  29           HB       VAL  29   8.931  -4.651   2.630
  192   HG11  VAL  29          HG11      VAL  29   7.887  -6.199   1.034
  193   HG12  VAL  29          HG12      VAL  29   9.628  -6.428   1.186
  194   HG13  VAL  29          HG13      VAL  29   8.967  -5.593  -0.218
  195   HG21  VAL  29          HG21      VAL  29  10.295  -3.416   0.266
  196   HG22  VAL  29          HG22      VAL  29  11.088  -4.502   1.407
  197   HG23  VAL  29          HG23      VAL  29  10.440  -2.958   1.961
  198    H    TYR  30           HN       TYR  30   8.996  -2.394  -0.713
  199    HA   TYR  30           HA       TYR  30   7.442  -3.691  -2.823
  200    HB2  TYR  30           HB2      TYR  30   7.602  -0.677  -2.587
  201    HB3  TYR  30           HB1      TYR  30   6.832  -1.574  -3.888
  202    HD1  TYR  30           HD1      TYR  30   4.749  -2.912  -3.359
  203    HD2  TYR  30           HD2      TYR  30   6.424  -0.108  -0.635
  204    HE1  TYR  30           HE1      TYR  30   2.604  -2.791  -2.169
  205    HE2  TYR  30           HE2      TYR  30   4.285   0.014   0.567
  206    HH   TYR  30           HH       TYR  30   1.778  -2.203   0.088
  207    H    HIS  31           HN       HIS  31   8.338  -3.074  -5.001
  208    HA   HIS  31           HA       HIS  31  11.223  -2.735  -4.939
  209    HB2  HIS  31           HB2      HIS  31   9.396  -2.886  -7.357
  210    HB3  HIS  31           HB1      HIS  31  11.151  -3.040  -7.358
  211    HD2  HIS  31           HD2      HIS  31  11.911  -5.393  -5.649
  212    HE1  HIS  31           HE1      HIS  31   8.518  -7.456  -7.129
  213    HE2  HIS  31           HE2      HIS  31  10.868  -7.712  -6.186
  214    H    ALA  32           HN       ALA  32  12.296  -0.943  -5.750
  215    HA   ALA  32           HA       ALA  32  10.984   1.556  -5.596
  216    HB1  ALA  32           HB1      ALA  32  13.356   1.300  -5.101
  217    HB2  ALA  32           HB2      ALA  32  13.106   2.493  -6.375
  218    HB3  ALA  32           HB3      ALA  32  13.670   0.873  -6.783
  219    H    ASP  33           HN       ASP  33  11.677  -0.664  -8.155
  220    HA   ASP  33           HA       ASP  33  11.358   1.064 -10.361
  221    HB2  ASP  33           HB2      ASP  33  12.475  -1.123 -10.517
  222    HB3  ASP  33           HB1      ASP  33  10.942  -1.928 -10.210
  223    H    CYS  34           HN       CYS  34   9.041  -1.082  -8.707
  224    HA   CYS  34           HA       CYS  34   6.934  -0.440 -10.551
  225    HB2  CYS  34           HB2      CYS  34   5.519  -1.695  -8.791
  226    HB3  CYS  34           HB1      CYS  34   6.774  -2.612  -9.622
  227    H    LEU  35           HN       LEU  35   8.143   0.899  -7.622
  228    HA   LEU  35           HA       LEU  35   5.776   2.458  -7.062
  229    HB2  LEU  35           HB2      LEU  35   8.585   2.589  -5.982
  230    HB3  LEU  35           HB1      LEU  35   7.271   3.601  -5.420
  231    HG   LEU  35           HG       LEU  35   7.304   0.592  -5.221
  232   HD11  LEU  35          HD11      LEU  35   9.004   1.342  -3.796
  233   HD12  LEU  35          HD12      LEU  35   7.587   1.178  -2.756
  234   HD13  LEU  35          HD13      LEU  35   8.088   2.768  -3.321
  235   HD21  LEU  35          HD21      LEU  35   5.478   2.689  -4.050
  236   HD22  LEU  35          HD22      LEU  35   5.445   0.974  -3.643
  237   HD23  LEU  35          HD23      LEU  35   5.052   1.498  -5.279
  238    H    ASN  36           HN       ASN  36   8.013   2.597  -9.420
  239    HA   ASN  36           HA       ASN  36   8.674   4.128 -10.940
  240    HB2  ASN  36           HB2      ASN  36   6.444   5.709  -9.672
  241    HB3  ASN  36           HB1      ASN  36   7.365   6.297 -11.048
  242   HD21  ASN  36          HD21      ASN  36   4.980   4.055  -9.939
  243   HD22  ASN  36          HD22      ASN  36   4.486   3.492 -11.495
  244    H    LEU  37           HN       LEU  37   9.986   3.955  -8.383
  245    HA   LEU  37           HA       LEU  37  10.718   6.672  -7.695
  246    HB2  LEU  37           HB2      LEU  37  11.634   4.017  -6.611
  247    HB3  LEU  37           HB1      LEU  37  12.204   5.565  -6.021
  248    HG   LEU  37           HG       LEU  37   9.384   4.501  -5.845
  249   HD11  LEU  37          HD11      LEU  37  11.416   5.112  -3.706
  250   HD12  LEU  37          HD12      LEU  37  10.973   3.500  -4.265
  251   HD13  LEU  37          HD13      LEU  37   9.778   4.511  -3.450
  252   HD21  LEU  37          HD21      LEU  37   8.913   6.531  -4.543
  253   HD22  LEU  37          HD22      LEU  37   9.313   6.890  -6.220
  254   HD23  LEU  37          HD23      LEU  37  10.512   7.150  -4.953
  255    H    THR  38           HN       THR  38  11.511   6.920  -9.992
  256    HA   THR  38           HA       THR  38  14.021   5.863 -10.750
  257    HB   THR  38           HB       THR  38  13.055   8.628 -11.481
  258    HG1  THR  38           HG1      THR  38  11.356   7.757 -12.381
  259   HG21  THR  38          HG21      THR  38  15.248   7.956 -12.319
  260   HG22  THR  38          HG22      THR  38  14.088   8.077 -13.640
  261   HG23  THR  38          HG23      THR  38  14.547   6.495 -13.014
  262    H    LYS  39           HN       LYS  39  12.978   8.538  -8.777
  263    HA   LYS  39           HA       LYS  39  15.731   9.258  -8.115
  264    HB2  LYS  39           HB2      LYS  39  14.396  11.156  -8.643
  265    HB3  LYS  39           HB1      LYS  39  13.062  10.581  -7.655
  266    HG2  LYS  39           HG2      LYS  39  14.131  12.406  -6.534
  267    HG3  LYS  39           HG1      LYS  39  14.461  10.918  -5.646
  268    HD2  LYS  39           HD2      LYS  39  16.673  10.787  -6.662
  269    HD3  LYS  39           HD1      LYS  39  16.343  12.249  -7.594
  270    HE2  LYS  39           HE2      LYS  39  16.044  13.474  -5.456
  271    HE3  LYS  39           HE1      LYS  39  16.524  12.016  -4.591
  272    HZ1  LYS  39           HZ1      LYS  39  18.659  12.102  -5.708
  273    HZ2  LYS  39           HZ2      LYS  39  18.374  13.534  -4.860
  274    HZ3  LYS  39           HZ3      LYS  39  18.198  13.501  -6.540
  275    H    ARG  40           HN       ARG  40  16.613   8.436  -6.311
  276    HA   ARG  40           HA       ARG  40  15.043   6.894  -4.481
  277    HB2  ARG  40           HB2      ARG  40  17.327   6.219  -4.995
  278    HB3  ARG  40           HB1      ARG  40  17.943   7.742  -4.371
  279    HG2  ARG  40           HG2      ARG  40  17.399   7.166  -2.147
  280    HG3  ARG  40           HG1      ARG  40  16.417   5.796  -2.668
  281    HD2  ARG  40           HD2      ARG  40  18.585   5.075  -1.777
  282    HD3  ARG  40           HD1      ARG  40  18.397   4.649  -3.476
  283    HE   ARG  40           HE       ARG  40  19.710   7.128  -3.302
  284   HH11  ARG  40          HH11      ARG  40  20.268   3.739  -2.636
  285   HH12  ARG  40          HH12      ARG  40  21.985   3.845  -2.855
  286   HH21  ARG  40          HH21      ARG  40  21.963   7.272  -3.606
  287   HH22  ARG  40          HH22      ARG  40  22.952   5.856  -3.416
  288    HA   PRO  41           HA       PRO  41  13.805  10.487  -2.168
  289    HB2  PRO  41           HB2      PRO  41  12.489   9.167  -0.187
  290    HB3  PRO  41           HB1      PRO  41  11.811   9.426  -1.796
  291    HG2  PRO  41           HG2      PRO  41  13.175   7.003  -0.682
  292    HG3  PRO  41           HG1      PRO  41  11.693   7.106  -1.659
  293    HD2  PRO  41           HD2      PRO  41  14.066   6.446  -2.754
  294    HD3  PRO  41           HD1      PRO  41  12.871   7.418  -3.642
  295    H    ALA  42           HN       ALA  42  14.815  11.648  -0.665
  296    HA   ALA  42           HA       ALA  42  16.720  10.285   1.096
  297    HB1  ALA  42           HB1      ALA  42  17.615  12.034  -0.367
  298    HB2  ALA  42           HB2      ALA  42  17.789  12.466   1.333
  299    HB3  ALA  42           HB3      ALA  42  16.516  13.204   0.363
  300    H    GLY  43           HN       GLY  43  16.699  10.604   3.339
  301    HA2  GLY  43           HA2      GLY  43  15.915  11.472   5.371
  302    HA3  GLY  43           HA1      GLY  43  14.677  12.354   4.489
  303    H    LYS  44           HN       LYS  44  12.869  11.745   5.512
  304    HA   LYS  44           HA       LYS  44  12.393   8.914   6.039
  305    HB2  LYS  44           HB2      LYS  44  10.855  11.404   6.788
  306    HB3  LYS  44           HB1      LYS  44  10.314   9.774   7.158
  307    HG2  LYS  44           HG2      LYS  44  12.179   9.400   8.593
  308    HG3  LYS  44           HG1      LYS  44  12.935  10.914   8.091
  309    HD2  LYS  44           HD2      LYS  44  11.095  12.175   9.080
  310    HD3  LYS  44           HD1      LYS  44  10.304  10.670   9.551
  311    HE2  LYS  44           HE2      LYS  44  13.029  11.546  10.503
  312    HE3  LYS  44           HE1      LYS  44  11.533  11.784  11.401
  313    HZ1  LYS  44           HZ1      LYS  44  12.683   9.165  10.611
  314    HZ2  LYS  44           HZ2      LYS  44  11.227   9.379  11.439
  315    HZ3  LYS  44           HZ3      LYS  44  12.686   9.821  12.167
  316    H    TRP  45           HN       TRP  45  11.669   7.819   4.340
  317    HA   TRP  45           HA       TRP  45   9.799   9.083   2.507
  318    HB2  TRP  45           HB2      TRP  45  11.629   7.951   1.419
  319    HB3  TRP  45           HB1      TRP  45  11.323   6.481   2.340
  320    HD1  TRP  45           HD1      TRP  45   9.597   8.646  -0.368
  321    HE1  TRP  45           HE1      TRP  45   8.131   7.106  -1.811
  322    HE3  TRP  45           HE3      TRP  45  10.288   4.267   2.174
  323    HZ2  TRP  45           HZ2      TRP  45   7.374   4.389  -1.867
  324    HZ3  TRP  45           HZ3      TRP  45   9.156   2.237   1.355
  325    HH2  TRP  45           HH2      TRP  45   7.731   2.299  -0.621
  326    H    GLU  46           HN       GLU  46   7.713   8.707   2.582
  327    HA   GLU  46           HA       GLU  46   6.719   6.497   4.242
  328    HB2  GLU  46           HB2      GLU  46   5.240   8.932   3.217
  329    HB3  GLU  46           HB1      GLU  46   4.627   7.747   4.360
  330    HG2  GLU  46           HG2      GLU  46   6.260   8.426   6.002
  331    HG3  GLU  46           HG1      GLU  46   6.988   9.547   4.854
  332    H    CYS  47           HN       CYS  47   5.694   4.822   3.257
  333    HA   CYS  47           HA       CYS  47   5.755   4.578   0.449
  334    HB2  CYS  47           HB2      CYS  47   4.757   2.430   0.735
  335    HB3  CYS  47           HB1      CYS  47   5.819   2.669   2.115
  336    HA   PRO  48           HA       PRO  48   2.042   6.556  -0.855
  337    HB2  PRO  48           HB2      PRO  48   1.373   5.009  -3.010
  338    HB3  PRO  48           HB1      PRO  48   2.679   6.203  -3.028
  339    HG2  PRO  48           HG2      PRO  48   2.824   3.238  -2.658
  340    HG3  PRO  48           HG1      PRO  48   3.868   4.300  -3.621
  341    HD2  PRO  48           HD2      PRO  48   4.605   3.381  -1.199
  342    HD3  PRO  48           HD1      PRO  48   5.077   4.992  -1.779
  343    H    TRP  49           HN       TRP  49   2.078   3.478   0.422
  344    HA   TRP  49           HA       TRP  49  -0.711   2.825   0.148
  345    HB2  TRP  49           HB2      TRP  49   1.320   1.239   0.560
  346    HB3  TRP  49           HB1      TRP  49   1.153   1.723   2.249
  347    HD1  TRP  49           HD1      TRP  49  -1.663   0.755  -0.250
  348    HE1  TRP  49           HE1      TRP  49  -2.972  -1.223   0.760
  349    HE3  TRP  49           HE3      TRP  49   1.115   0.019   3.985
  350    HZ2  TRP  49           HZ2      TRP  49  -2.849  -2.856   3.053
  351    HZ3  TRP  49           HZ3      TRP  49   0.446  -1.766   5.537
  352    HH2  TRP  49           HH2      TRP  49  -1.498  -3.179   5.078
  353    H    HIS  50           HN       HIS  50   0.916   5.162   1.816
  354    HA   HIS  50           HA       HIS  50  -1.128   5.289   3.929
  355    HB2  HIS  50           HB2      HIS  50   1.430   6.891   3.680
  356    HB3  HIS  50           HB1      HIS  50   0.302   6.929   5.035
  357    HD1  HIS  50           HD1      HIS  50   0.118   3.635   5.038
  358    HD2  HIS  50           HD2      HIS  50   3.478   6.067   5.312
  359    HE1  HIS  50           HE1      HIS  50   1.912   2.256   6.186
  360    H    GLN  51           HN       GLN  51  -0.773   6.260   0.876
  361    HA   GLN  51           HA       GLN  51  -1.841   8.960   1.366
  362    HB2  GLN  51           HB2      GLN  51  -0.184   8.042  -0.993
  363    HB3  GLN  51           HB1      GLN  51  -0.865   9.648  -0.781
  364    HG2  GLN  51           HG2      GLN  51   1.142   8.369   1.047
  365    HG3  GLN  51           HG1      GLN  51   1.519   9.541  -0.215
  366   HE21  GLN  51          HE21      GLN  51   1.938   9.709   2.675
  367   HE22  GLN  51          HE22      GLN  51   1.090  11.119   3.199
  368    H    CYS  52           HN       CYS  52  -3.656   9.554   0.342
  369    HA   CYS  52           HA       CYS  52  -5.390   7.533  -0.610
  370    HB2  CYS  52           HB2      CYS  52  -6.212   9.549   0.506
  371    HB3  CYS  52           HB1      CYS  52  -5.603  10.543  -0.809
  372    H    ASP  53           HN       ASP  53  -5.556   6.681  -2.548
  373    HA   ASP  53           HA       ASP  53  -3.832   7.385  -4.667
  374    HB2  ASP  53           HB2      ASP  53  -4.775   5.103  -4.263
  375    HB3  ASP  53           HB1      ASP  53  -6.339   5.688  -4.821
  376    H    VAL  54           HN       VAL  54  -6.854   8.664  -3.727
  377    HA   VAL  54           HA       VAL  54  -7.517   9.583  -6.407
  378    HB   VAL  54           HB       VAL  54  -8.998  10.031  -3.813
  379   HG11  VAL  54          HG11      VAL  54  -9.819  10.573  -6.662
  380   HG12  VAL  54          HG12      VAL  54  -9.449  11.786  -5.436
  381   HG13  VAL  54          HG13      VAL  54 -10.854  10.735  -5.242
  382   HG21  VAL  54          HG21      VAL  54 -10.579   8.378  -4.698
  383   HG22  VAL  54          HG22      VAL  54  -8.976   7.685  -4.444
  384   HG23  VAL  54          HG23      VAL  54  -9.509   8.103  -6.072
  385    H    CYS  55           HN       CYS  55  -6.965  11.137  -3.202
  386    HA   CYS  55           HA       CYS  55  -6.561  13.632  -4.699
  387    HB2  CYS  55           HB2      CYS  55  -7.121  14.842  -2.655
  388    HB3  CYS  55           HB1      CYS  55  -8.401  13.737  -3.123
  389    H    GLY  56           HN       GLY  56  -4.784  11.318  -3.032
  390    HA2  GLY  56           HA2      GLY  56  -2.509  11.283  -2.640
  391    HA3  GLY  56           HA1      GLY  56  -2.434  12.951  -3.193
  392    H    LYS  57           HN       LYS  57  -4.766  12.739  -0.816
  393    HA   LYS  57           HA       LYS  57  -2.998  13.924   1.141
  394    HB2  LYS  57           HB2      LYS  57  -5.960  13.360   1.252
  395    HB3  LYS  57           HB1      LYS  57  -5.057  14.221   2.485
  396    HG2  LYS  57           HG2      LYS  57  -4.507  15.966   0.861
  397    HG3  LYS  57           HG1      LYS  57  -5.447  15.106  -0.364
  398    HD2  LYS  57           HD2      LYS  57  -7.449  15.319   1.024
  399    HD3  LYS  57           HD1      LYS  57  -6.510  16.172   2.249
  400    HE2  LYS  57           HE2      LYS  57  -6.031  17.947   0.632
  401    HE3  LYS  57           HE1      LYS  57  -6.991  17.098  -0.580
  402    HZ1  LYS  57           HZ1      LYS  57  -8.289  18.827   0.446
  403    HZ2  LYS  57           HZ2      LYS  57  -7.989  18.204   1.989
  404    HZ3  LYS  57           HZ3      LYS  57  -8.920  17.323   0.887
  405    H    GLU  58           HN       GLU  58  -3.810  13.212   3.517
  406    HA   GLU  58           HA       GLU  58  -2.586  10.788   4.095
  407    HB2  GLU  58           HB2      GLU  58  -2.874  12.557   5.746
  408    HB3  GLU  58           HB1      GLU  58  -4.619  12.358   5.689
  409    HG2  GLU  58           HG2      GLU  58  -4.293  10.028   6.531
  410    HG3  GLU  58           HG1      GLU  58  -2.591  10.423   6.764
  411    H    ALA  59           HN       ALA  59  -3.228   8.773   3.746
  412    HA   ALA  59           HA       ALA  59  -5.991   8.162   3.170
  413    HB1  ALA  59           HB1      ALA  59  -3.579   6.368   3.372
  414    HB2  ALA  59           HB2      ALA  59  -4.254   7.058   1.895
  415    HB3  ALA  59           HB3      ALA  59  -5.181   5.878   2.818
  416    H    ALA  60           HN       ALA  60  -7.369   6.949   4.406
  417    HA   ALA  60           HA       ALA  60  -6.559   6.542   7.204
  418    HB1  ALA  60           HB1      ALA  60  -8.439   8.098   6.833
  419    HB2  ALA  60           HB2      ALA  60  -8.902   6.686   7.780
  420    HB3  ALA  60           HB3      ALA  60  -9.344   6.790   6.076
  421    H    SER  61           HN       SER  61  -8.137   5.079   4.423
  422    HA   SER  61           HA       SER  61  -7.989   2.479   5.781
  423    HB2  SER  61           HB2      SER  61  -9.814   1.809   4.175
  424    HB3  SER  61           HB1      SER  61 -10.291   3.027   5.354
  425    HG   SER  61           HG       SER  61 -10.583   3.218   2.810
  426    H    PHE  62           HN       PHE  62  -7.247   0.702   4.545
  427    HA   PHE  62           HA       PHE  62  -5.620   1.513   2.224
  428    HB2  PHE  62           HB2      PHE  62  -4.731  -0.576   4.209
  429    HB3  PHE  62           HB1      PHE  62  -3.743   0.370   3.090
  430    HD1  PHE  62           HD1      PHE  62  -4.835   0.023   6.425
  431    HD2  PHE  62           HD2      PHE  62  -3.681   2.948   3.558
  432    HE1  PHE  62           HE1      PHE  62  -4.376   1.619   8.240
  433    HE2  PHE  62           HE2      PHE  62  -3.229   4.547   5.367
  434    HZ   PHE  62           HZ       PHE  62  -3.570   3.883   7.712
  435    H    CYS  63           HN       CYS  63  -5.957   0.252   0.433
  436    HA   CYS  63           HA       CYS  63  -7.566  -2.094   0.550
  437    HB2  CYS  63           HB2      CYS  63  -7.298  -0.693  -1.530
  438    HB3  CYS  63           HB1      CYS  63  -5.668  -1.343  -1.687
  439    H    GLU  64           HN       GLU  64  -6.998  -4.031   1.209
  440    HA   GLU  64           HA       GLU  64  -4.222  -4.542   1.862
  441    HB2  GLU  64           HB2      GLU  64  -6.713  -6.185   2.317
  442    HB3  GLU  64           HB1      GLU  64  -5.117  -6.598   2.923
  443    HG2  GLU  64           HG2      GLU  64  -5.095  -4.541   4.260
  444    HG3  GLU  64           HG1      GLU  64  -6.700  -4.137   3.656
  445    H    MET  65           HN       MET  65  -5.395  -4.514  -0.960
  446    HA   MET  65           HA       MET  65  -4.110  -7.035  -1.756
  447    HB2  MET  65           HB2      MET  65  -6.589  -5.828  -2.987
  448    HB3  MET  65           HB1      MET  65  -5.700  -7.201  -3.650
  449    HG2  MET  65           HG2      MET  65  -6.189  -8.505  -1.662
  450    HG3  MET  65           HG1      MET  65  -7.029  -7.128  -0.947
  451    HE1  MET  65           HE1      MET  65  -9.110  -8.770  -0.509
  452    HE2  MET  65           HE2      MET  65  -8.239 -10.091  -1.288
  453    HE3  MET  65           HE3      MET  65  -9.888  -9.708  -1.783
  454    H    CYS  66           HN       CYS  66  -3.984  -3.695  -1.956
  455    HA   CYS  66           HA       CYS  66  -1.935  -3.772  -3.918
  456    HB2  CYS  66           HB2      CYS  66  -2.946  -2.628  -5.734
  457    HB3  CYS  66           HB1      CYS  66  -4.092  -3.889  -5.298
  458    HA   PRO  67           HA       PRO  67  -0.843  -0.031  -1.877
  459    HB2  PRO  67           HB2      PRO  67   0.096   1.280  -4.321
  460    HB3  PRO  67           HB1      PRO  67   1.038   0.631  -2.975
  461    HG2  PRO  67           HG2      PRO  67   1.048  -0.520  -5.408
  462    HG3  PRO  67           HG1      PRO  67   1.179  -1.466  -3.914
  463    HD2  PRO  67           HD2      PRO  67  -1.250  -0.981  -5.628
  464    HD3  PRO  67           HD1      PRO  67  -0.664  -2.508  -4.918
  465    H    SER  68           HN       SER  68  -3.558   0.017  -3.488
  466    HA   SER  68           HA       SER  68  -3.832   2.910  -3.747
  467    HB2  SER  68           HB2      SER  68  -5.878   0.746  -4.313
  468    HB3  SER  68           HB1      SER  68  -5.992   2.450  -4.759
  469    HG   SER  68           HG       SER  68  -4.747   2.093  -6.419
  470    H    SER  69           HN       SER  69  -3.779   3.594  -1.630
  471    HA   SER  69           HA       SER  69  -5.896   2.638   0.155
  472    HB2  SER  69           HB2      SER  69  -4.636   4.152   1.815
  473    HB3  SER  69           HB1      SER  69  -3.806   2.689   1.280
  474    HG   SER  69           HG       SER  69  -3.442   5.201   0.008
  475    H    PHE  70           HN       PHE  70  -7.176   4.357   1.346
  476    HA   PHE  70           HA       PHE  70  -7.571   6.706  -0.387
  477    HB2  PHE  70           HB2      PHE  70  -9.787   4.929   0.664
  478    HB3  PHE  70           HB1      PHE  70 -10.002   6.408  -0.273
  479    HD1  PHE  70           HD1      PHE  70  -9.010   6.458  -2.629
  480    HD2  PHE  70           HD2      PHE  70  -9.603   2.879  -0.407
  481    HE1  PHE  70           HE1      PHE  70  -8.932   5.154  -4.715
  482    HE2  PHE  70           HE2      PHE  70  -9.524   1.568  -2.488
  483    HZ   PHE  70           HZ       PHE  70  -9.198   2.706  -4.646
  484    H    CYS  71           HN       CYS  71  -8.472   8.522   0.617
  485    HA   CYS  71           HA       CYS  71  -7.973   8.738   3.438
  486    HB2  CYS  71           HB2      CYS  71  -8.542  11.074   3.180
  487    HB3  CYS  71           HB1      CYS  71  -7.530  10.595   1.821
  488    H    LYS  72           HN       LYS  72  -9.792   9.959   4.769
  489    HA   LYS  72           HA       LYS  72 -11.835   8.113   5.180
  490    HB2  LYS  72           HB2      LYS  72 -11.625  11.004   5.987
  491    HB3  LYS  72           HB1      LYS  72 -12.937   9.959   6.508
  492    HG2  LYS  72           HG2      LYS  72 -11.233   8.426   7.486
  493    HG3  LYS  72           HG1      LYS  72 -10.010   9.635   7.098
  494    HD2  LYS  72           HD2      LYS  72 -11.157  11.258   8.513
  495    HD3  LYS  72           HD1      LYS  72 -12.402  10.065   8.882
  496    HE2  LYS  72           HE2      LYS  72 -10.709   8.624   9.905
  497    HE3  LYS  72           HE1      LYS  72  -9.472   9.825   9.542
  498    HZ1  LYS  72           HZ1      LYS  72 -10.555  11.377  10.999
  499    HZ2  LYS  72           HZ2      LYS  72 -10.265   9.940  11.843
  500    HZ3  LYS  72           HZ3      LYS  72 -11.824  10.298  11.288
  501    H    GLN  73           HN       GLN  73 -11.735  10.862   3.052
  502    HA   GLN  73           HA       GLN  73 -14.583  10.901   2.639
  503    HB2  GLN  73           HB2      GLN  73 -12.391  12.336   1.153
  504    HB3  GLN  73           HB1      GLN  73 -14.112  12.657   0.995
  505    HG2  GLN  73           HG2      GLN  73 -12.460  13.019   3.485
  506    HG3  GLN  73           HG1      GLN  73 -13.016  14.308   2.420
  507   HE21  GLN  73          HE21      GLN  73 -15.652  13.029   2.028
  508   HE22  GLN  73          HE22      GLN  73 -16.520  13.285   3.500
  509    H    HIS  74           HN       HIS  74 -11.737   9.831   0.824
  510    HA   HIS  74           HA       HIS  74 -13.446   9.125  -1.433
  511    HB2  HIS  74           HB2      HIS  74 -10.437   9.168  -1.143
  512    HB3  HIS  74           HB1      HIS  74 -11.274   8.609  -2.595
  513    HD2  HIS  74           HD2      HIS  74 -13.503  11.004  -2.690
  514    HE1  HIS  74           HE1      HIS  74 -10.113  13.496  -2.921
  515    HE2  HIS  74           HE2      HIS  74 -12.630  13.409  -3.084
  516    H    ARG  75           HN       ARG  75 -13.002   7.565   1.259
  517    HA   ARG  75           HA       ARG  75 -12.355   4.990   0.068
  518    HB2  ARG  75           HB2      ARG  75 -12.499   4.081   2.323
  519    HB3  ARG  75           HB1      ARG  75 -11.408   5.456   2.259
  520    HG2  ARG  75           HG2      ARG  75 -13.243   6.866   3.161
  521    HG3  ARG  75           HG1      ARG  75 -14.206   5.399   3.354
  522    HD2  ARG  75           HD2      ARG  75 -12.487   4.465   4.819
  523    HD3  ARG  75           HD1      ARG  75 -11.514   5.916   4.622
  524    HE   ARG  75           HE       ARG  75 -13.940   6.793   5.564
  525   HH11  ARG  75          HH11      ARG  75 -11.521   4.526   6.653
  526   HH12  ARG  75          HH12      ARG  75 -11.805   4.817   8.335
  527   HH21  ARG  75          HH21      ARG  75 -14.329   7.203   7.785
  528   HH22  ARG  75          HH22      ARG  75 -13.416   6.339   8.980
  529    H    GLU  76           HN       GLU  76 -15.084   6.896   0.757
  530    HA   GLU  76           HA       GLU  76 -16.981   4.878   1.258
  531    HB2  GLU  76           HB2      GLU  76 -17.262   7.656   0.140
  532    HB3  GLU  76           HB1      GLU  76 -18.644   6.602   0.400
  533    HG2  GLU  76           HG2      GLU  76 -17.785   6.436   2.817
  534    HG3  GLU  76           HG1      GLU  76 -16.823   7.857   2.414
  535    H    GLY  77           HN       GLY  77 -17.763   3.370  -0.046
  536    HA2  GLY  77           HA2      GLY  77 -18.499   2.311  -1.945
  537    HA3  GLY  77           HA1      GLY  77 -18.524   3.885  -2.730
  538    H    MET  78           HN       MET  78 -15.458   3.514  -1.595
  539    HA   MET  78           HA       MET  78 -14.566   2.491  -4.205
  540    HB2  MET  78           HB2      MET  78 -13.092   4.235  -2.211
  541    HB3  MET  78           HB1      MET  78 -12.421   3.648  -3.726
  542    HG2  MET  78           HG2      MET  78 -14.794   5.491  -3.452
  543    HG3  MET  78           HG1      MET  78 -13.159   5.969  -3.907
  544    HE1  MET  78           HE1      MET  78 -13.957   7.165  -6.080
  545    HE2  MET  78           HE2      MET  78 -15.630   6.796  -5.656
  546    HE3  MET  78           HE3      MET  78 -15.030   6.436  -7.275
  547    H    LEU  79           HN       LEU  79 -14.192   2.118  -0.731
  548    HA   LEU  79           HA       LEU  79 -12.614  -0.316  -1.246
  549    HB2  LEU  79           HB2      LEU  79 -11.544   1.684   0.015
  550    HB3  LEU  79           HB1      LEU  79 -12.598   1.223   1.341
  551    HG   LEU  79           HG       LEU  79 -11.524  -1.017   1.373
  552   HD11  LEU  79          HD11      LEU  79  -9.694   0.223  -0.677
  553   HD12  LEU  79          HD12      LEU  79 -10.761  -1.160  -0.917
  554   HD13  LEU  79          HD13      LEU  79  -9.387  -1.288   0.175
  555   HD21  LEU  79          HD21      LEU  79  -9.789   1.417   1.698
  556   HD22  LEU  79          HD22      LEU  79  -9.322  -0.190   2.246
  557   HD23  LEU  79          HD23      LEU  79 -10.745   0.596   2.931
  558    H    PHE  80           HN       PHE  80 -13.295  -2.190  -0.244
  559    HA   PHE  80           HA       PHE  80 -15.468  -2.086   1.685
  560    HB2  PHE  80           HB2      PHE  80 -16.817  -3.729   0.341
  561    HB3  PHE  80           HB1      PHE  80 -16.730  -2.121  -0.364
  562    HD1  PHE  80           HD1      PHE  80 -15.743  -1.765  -2.502
  563    HD2  PHE  80           HD2      PHE  80 -15.495  -5.593  -0.646
  564    HE1  PHE  80           HE1      PHE  80 -14.951  -2.739  -4.612
  565    HE2  PHE  80           HE2      PHE  80 -14.704  -6.562  -2.757
  566    HZ   PHE  80           HZ       PHE  80 -14.443  -5.141  -4.745
  567    H    ILE  81           HN       ILE  81 -15.975  -4.320   2.501
  568    HA   ILE  81           HA       ILE  81 -13.484  -5.696   3.011
  569    HB   ILE  81           HB       ILE  81 -16.280  -6.116   4.051
  570   HG12  ILE  81          HG12      ILE  81 -15.022  -4.121   4.857
  571   HG13  ILE  81          HG11      ILE  81 -15.401  -5.267   6.135
  572   HG21  ILE  81          HG21      ILE  81 -13.770  -7.620   4.743
  573   HG22  ILE  81          HG22      ILE  81 -15.216  -8.270   3.967
  574   HG23  ILE  81          HG23      ILE  81 -15.288  -7.715   5.639
  575   HD11  ILE  81          HD11      ILE  81 -13.109  -6.142   5.987
  576   HD12  ILE  81          HD12      ILE  81 -13.170  -4.432   6.414
  577   HD13  ILE  81          HD13      ILE  81 -12.745  -4.915   4.773
  578    H    SER  82           HN       SER  82 -12.789  -7.463   2.045
  579    HA   SER  82           HA       SER  82 -14.102  -8.603  -0.177
  580    HB2  SER  82           HB2      SER  82 -11.677  -8.616  -0.005
  581    HB3  SER  82           HB1      SER  82 -11.756  -9.597   1.453
  582    HG   SER  82           HG       SER  82 -12.243 -10.313  -1.221
  583    H    LYS  83           HN       LYS  83 -15.311 -10.375  -0.403
  584    HA   LYS  83           HA       LYS  83 -16.621 -11.472   1.883
  585    HB2  LYS  83           HB2      LYS  83 -16.687 -12.302  -1.019
  586    HB3  LYS  83           HB1      LYS  83 -17.783 -12.883   0.229
  587    HG2  LYS  83           HG2      LYS  83 -18.736 -10.725   0.505
  588    HG3  LYS  83           HG1      LYS  83 -17.509  -9.987  -0.521
  589    HD2  LYS  83           HD2      LYS  83 -18.359 -11.224  -2.442
  590    HD3  LYS  83           HD1      LYS  83 -19.563 -12.007  -1.416
  591    HE2  LYS  83           HE2      LYS  83 -20.615  -9.885  -0.963
  592    HE3  LYS  83           HE1      LYS  83 -19.360  -9.030  -1.858
  593    HZ1  LYS  83           HZ1      LYS  83 -20.082 -10.120  -3.872
  594    HZ2  LYS  83           HZ2      LYS  83 -21.382  -9.309  -3.157
  595    HZ3  LYS  83           HZ3      LYS  83 -21.259 -10.992  -3.021
  596    H    LEU  84           HN       LEU  84 -13.871 -12.325  -0.011
  597    HA   LEU  84           HA       LEU  84 -13.904 -15.109   0.764
  598    HB2  LEU  84           HB2      LEU  84 -11.888 -13.486  -0.769
  599    HB3  LEU  84           HB1      LEU  84 -11.781 -15.215  -0.508
  600    HG   LEU  84           HG       LEU  84 -13.969 -13.817  -2.048
  601   HD11  LEU  84          HD11      LEU  84 -11.834 -13.735  -3.212
  602   HD12  LEU  84          HD12      LEU  84 -12.935 -14.858  -4.009
  603   HD13  LEU  84          HD13      LEU  84 -11.633 -15.474  -2.992
  604   HD21  LEU  84          HD21      LEU  84 -14.573 -16.116  -2.742
  605   HD22  LEU  84          HD22      LEU  84 -14.809 -15.832  -1.019
  606   HD23  LEU  84          HD23      LEU  84 -13.406 -16.743  -1.579
  607    H    ASP  85           HN       ASP  85 -11.694 -12.355   1.242
  608    HA   ASP  85           HA       ASP  85 -10.328 -13.927   3.308
  609    HB2  ASP  85           HB2      ASP  85  -9.404 -11.585   1.650
  610    HB3  ASP  85           HB1      ASP  85  -8.502 -12.183   3.037
  611    H    GLY  86           HN       GLY  86 -12.548 -11.448   3.076
  612    HA2  GLY  86           HA2      GLY  86 -13.434 -10.047   4.672
  613    HA3  GLY  86           HA1      GLY  86 -12.387 -10.823   5.851
  614    H    ARG  87           HN       ARG  87 -10.556  -9.777   3.316
  615    HA   ARG  87           HA       ARG  87  -9.491  -7.564   4.855
  616    HB2  ARG  87           HB2      ARG  87  -8.591  -8.953   2.331
  617    HB3  ARG  87           HB1      ARG  87  -7.752  -7.575   3.024
  618    HG2  ARG  87           HG2      ARG  87  -7.359  -8.850   5.075
  619    HG3  ARG  87           HG1      ARG  87  -8.182 -10.237   4.358
  620    HD2  ARG  87           HD2      ARG  87  -6.517 -10.386   2.628
  621    HD3  ARG  87           HD1      ARG  87  -5.744  -8.905   3.194
  622    HE   ARG  87           HE       ARG  87  -5.538 -10.400   5.366
  623   HH11  ARG  87          HH11      ARG  87  -4.996 -11.277   2.023
  624   HH12  ARG  87          HH12      ARG  87  -3.749 -12.424   2.390
  625   HH21  ARG  87          HH21      ARG  87  -3.893 -11.917   5.856
  626   HH22  ARG  87          HH22      ARG  87  -3.121 -12.789   4.571
  627    H    LEU  88           HN       LEU  88  -9.148  -5.479   3.966
  628    HA   LEU  88           HA       LEU  88 -11.359  -4.460   2.515
  629    HB2  LEU  88           HB2      LEU  88  -8.700  -3.250   3.251
  630    HB3  LEU  88           HB1      LEU  88  -9.969  -2.359   2.442
  631    HG   LEU  88           HG       LEU  88 -10.444  -3.700   5.084
  632   HD11  LEU  88          HD11      LEU  88  -9.473  -0.882   4.621
  633   HD12  LEU  88          HD12      LEU  88  -8.519  -2.190   5.319
  634   HD13  LEU  88          HD13      LEU  88  -9.939  -1.581   6.171
  635   HD21  LEU  88          HD21      LEU  88 -12.420  -3.016   3.855
  636   HD22  LEU  88          HD22      LEU  88 -11.753  -1.399   3.639
  637   HD23  LEU  88          HD23      LEU  88 -12.187  -1.965   5.251
  638    H    SER  89           HN       SER  89 -11.693  -4.360   0.405
  639    HA   SER  89           HA       SER  89  -9.380  -4.499  -1.406
  640    HB2  SER  89           HB2      SER  89 -10.559  -6.697  -1.258
  641    HB3  SER  89           HB1      SER  89 -12.031  -5.912  -1.826
  642    HG   SER  89           HG       SER  89  -9.808  -6.718  -3.217
  643    H    CYS  90           HN       CYS  90  -9.437  -3.110  -3.092
  644    HA   CYS  90           HA       CYS  90 -11.456  -1.043  -3.025
  645    HB2  CYS  90           HB2      CYS  90 -10.013   0.185  -4.519
  646    HB3  CYS  90           HB1      CYS  90  -9.001  -0.550  -3.276
  647    H    THR  91           HN       THR  91 -12.386  -0.222  -5.084
  648    HA   THR  91           HA       THR  91 -13.796  -2.308  -6.416
  649    HB   THR  91           HB       THR  91 -14.741  -0.400  -7.769
  650    HG1  THR  91           HG1      THR  91 -13.098   1.101  -7.666
  651   HG21  THR  91          HG21      THR  91 -15.997   0.554  -5.879
  652   HG22  THR  91          HG22      THR  91 -14.840  -0.169  -4.760
  653   HG23  THR  91          HG23      THR  91 -15.859  -1.200  -5.763
  654    H    GLU  92           HN       GLU  92 -10.734  -1.215  -6.918
  655    HA   GLU  92           HA       GLU  92 -10.827  -1.191  -9.821
  656    HB2  GLU  92           HB2      GLU  92  -8.443  -0.926  -7.984
  657    HB3  GLU  92           HB1      GLU  92  -8.481  -0.588  -9.708
  658    HG2  GLU  92           HG2      GLU  92  -9.887   0.931  -7.526
  659    HG3  GLU  92           HG1      GLU  92  -8.542   1.485  -8.516
  660    H    HIS  93           HN       HIS  93 -11.209  -3.585  -7.930
  661    HA   HIS  93           HA       HIS  93  -9.310  -5.357  -9.314
  662    HB2  HIS  93           HB2      HIS  93 -10.600  -5.733  -6.598
  663    HB3  HIS  93           HB1      HIS  93  -9.607  -6.939  -7.408
  664    HD1  HIS  93           HD1      HIS  93  -7.612  -4.417  -8.354
  665    HD2  HIS  93           HD2      HIS  93  -8.655  -5.729  -4.552
  666    HE1  HIS  93           HE1      HIS  93  -5.796  -3.595  -6.800
  667    H    ASP  94           HN       ASP  94 -11.392  -4.665 -10.724
  668    HA   ASP  94           HA       ASP  94 -13.214  -6.969 -10.584
  669    HB2  ASP  94           HB2      ASP  94 -14.350  -4.833 -10.031
  670    HB3  ASP  94           HB1      ASP  94 -13.861  -4.193 -11.592
  Start of MODEL    7
    1    H1   GLY   1           HT1      GLY   1   7.355 -11.589  14.403
    2    H2   GLY   1           HT2      GLY   1   6.978 -11.877  16.022
    3    H3   GLY   1           HT3      GLY   1   7.842 -13.029  15.141
    4    HA2  GLY   1           HA1      GLY   1   9.327 -11.843  16.607
    5    HA3  GLY   1           HA2      GLY   1   9.706 -11.509  14.924
    6    H    ALA   2           HN       ALA   2  10.781  -9.659  16.200
    7    HA   ALA   2           HA       ALA   2   9.031  -7.544  17.079
    8    HB1  ALA   2           HB1      ALA   2  11.080  -6.282  17.455
    9    HB2  ALA   2           HB2      ALA   2  12.011  -7.524  16.621
   10    HB3  ALA   2           HB3      ALA   2  11.206  -7.900  18.144
   11    H    MET   3           HN       MET   3   7.784  -6.965  15.301
   12    HA   MET   3           HA       MET   3   7.211  -5.898  13.379
   13    HB2  MET   3           HB2      MET   3   8.489  -4.057  14.482
   14    HB3  MET   3           HB1      MET   3   9.921  -4.584  13.614
   15    HG2  MET   3           HG2      MET   3   8.891  -2.670  12.537
   16    HG3  MET   3           HG1      MET   3   8.846  -4.091  11.494
   17    HE1  MET   3           HE1      MET   3   6.769  -1.962  14.071
   18    HE2  MET   3           HE2      MET   3   6.485  -3.622  14.593
   19    HE3  MET   3           HE3      MET   3   5.169  -2.679  13.898
   20    H    GLU   4           HN       GLU   4   7.463  -8.104  12.502
   21    HA   GLU   4           HA       GLU   4   9.766  -8.866  11.056
   22    HB2  GLU   4           HB2      GLU   4   8.098 -10.495  11.822
   23    HB3  GLU   4           HB1      GLU   4   6.904  -9.782  10.747
   24    HG2  GLU   4           HG2      GLU   4   8.274 -10.422   8.822
   25    HG3  GLU   4           HG1      GLU   4   9.434 -11.174   9.916
   26    H    ARG   5           HN       ARG   5  10.511  -7.626   9.479
   27    HA   ARG   5           HA       ARG   5   8.914  -6.018   7.780
   28    HB2  ARG   5           HB2      ARG   5  11.288  -5.564   8.344
   29    HB3  ARG   5           HB1      ARG   5  11.757  -6.972   7.407
   30    HG2  ARG   5           HG2      ARG   5  10.919  -5.933   5.380
   31    HG3  ARG   5           HG1      ARG   5  10.377  -4.531   6.307
   32    HD2  ARG   5           HD2      ARG   5  13.224  -5.484   6.054
   33    HD3  ARG   5           HD1      ARG   5  12.522  -4.110   5.204
   34    HE   ARG   5           HE       ARG   5  12.062  -3.338   7.659
   35   HH11  ARG   5          HH11      ARG   5  14.933  -4.921   6.423
   36   HH12  ARG   5          HH12      ARG   5  15.986  -4.191   7.589
   37   HH21  ARG   5          HH21      ARG   5  13.445  -2.379   9.187
   38   HH22  ARG   5          HH22      ARG   5  15.142  -2.739   9.164
   39    H    GLU   6           HN       GLU   6   8.022  -6.448   5.845
   40    HA   GLU   6           HA       GLU   6   7.726  -9.140   4.989
   41    HB2  GLU   6           HB2      GLU   6   6.056  -7.255   4.727
   42    HB3  GLU   6           HB1      GLU   6   7.075  -6.623   3.444
   43    HG2  GLU   6           HG2      GLU   6   6.623  -8.445   2.040
   44    HG3  GLU   6           HG1      GLU   6   5.958  -9.404   3.363
   45    H    ASP   7           HN       ASP   7   8.675 -10.211   3.261
   46    HA   ASP   7           HA       ASP   7  11.130  -8.929   2.258
   47    HB2  ASP   7           HB2      ASP   7  12.057 -11.210   2.036
   48    HB3  ASP   7           HB1      ASP   7  11.610 -10.830   3.696
   49    H    GLU   8           HN       GLU   8   8.402  -8.894   1.089
   50    HA   GLU   8           HA       GLU   8   9.189  -9.614  -1.604
   51    HB2  GLU   8           HB2      GLU   8   8.098 -11.645  -0.715
   52    HB3  GLU   8           HB1      GLU   8   6.671 -10.696  -0.326
   53    HG2  GLU   8           HG2      GLU   8   6.271 -10.264  -2.663
   54    HG3  GLU   8           HG1      GLU   8   7.767 -11.093  -3.100
   55    H    CYS   9           HN       CYS   9   7.874  -8.546  -3.208
   56    HA   CYS   9           HA       CYS   9   6.929  -6.007  -2.206
   57    HB2  CYS   9           HB2      CYS   9   8.291  -6.030  -4.227
   58    HB3  CYS   9           HB1      CYS   9   7.139  -7.110  -5.010
   59    H    PHE  10           HN       PHE  10   4.926  -5.902  -1.456
   60    HA   PHE  10           HA       PHE  10   2.858  -7.712  -2.117
   61    HB2  PHE  10           HB2      PHE  10   2.906  -6.509   0.005
   62    HB3  PHE  10           HB1      PHE  10   2.750  -4.969  -0.828
   63    HD1  PHE  10           HD1      PHE  10   0.651  -4.044  -1.159
   64    HD2  PHE  10           HD2      PHE  10   0.986  -8.199  -0.294
   65    HE1  PHE  10           HE1      PHE  10  -1.796  -4.203  -0.976
   66    HE2  PHE  10           HE2      PHE  10  -1.460  -8.360  -0.107
   67    HZ   PHE  10           HZ       PHE  10  -2.851  -6.340  -0.421
   68    H    SER  11           HN       SER  11   4.078  -4.989  -3.751
   69    HA   SER  11           HA       SER  11   1.666  -4.269  -5.134
   70    HB2  SER  11           HB2      SER  11   3.461  -2.620  -4.725
   71    HB3  SER  11           HB1      SER  11   4.546  -3.561  -5.744
   72    HG   SER  11           HG       SER  11   2.821  -1.678  -6.478
   73    H    CYS  12           HN       CYS  12   4.400  -6.411  -5.754
   74    HA   CYS  12           HA       CYS  12   3.296  -6.932  -8.441
   75    HB2  CYS  12           HB2      CYS  12   6.160  -7.269  -7.543
   76    HB3  CYS  12           HB1      CYS  12   5.543  -7.495  -9.178
   77    H    GLY  13           HN       GLY  13   4.373  -8.386  -5.457
   78    HA2  GLY  13           HA2      GLY  13   3.889 -10.563  -4.728
   79    HA3  GLY  13           HA1      GLY  13   3.433 -10.989  -6.376
   80    H    ASP  14           HN       ASP  14   6.354  -9.309  -6.189
   81    HA   ASP  14           HA       ASP  14   7.907 -11.802  -6.265
   82    HB2  ASP  14           HB2      ASP  14   8.103  -9.403  -8.084
   83    HB3  ASP  14           HB1      ASP  14   9.415 -10.564  -7.919
   84    H    ALA  15           HN       ALA  15  10.138 -11.578  -5.656
   85    HA   ALA  15           HA       ALA  15  10.619  -9.271  -3.894
   86    HB1  ALA  15           HB1      ALA  15  11.718 -12.065  -3.659
   87    HB2  ALA  15           HB2      ALA  15  10.423 -11.377  -2.680
   88    HB3  ALA  15           HB3      ALA  15  12.055 -10.719  -2.570
   89    H    GLY  16           HN       GLY  16  12.849  -8.566  -3.717
   90    HA2  GLY  16           HA2      GLY  16  15.004  -9.174  -5.248
   91    HA3  GLY  16           HA1      GLY  16  13.965  -8.273  -6.347
   92    H    GLN  17           HN       GLN  17  14.529  -6.189  -6.469
   93    HA   GLN  17           HA       GLN  17  16.013  -4.914  -4.358
   94    HB2  GLN  17           HB2      GLN  17  16.440  -4.404  -6.745
   95    HB3  GLN  17           HB1      GLN  17  14.831  -3.703  -6.863
   96    HG2  GLN  17           HG2      GLN  17  15.474  -2.068  -5.117
   97    HG3  GLN  17           HG1      GLN  17  17.110  -2.720  -5.164
   98   HE21  GLN  17          HE21      GLN  17  18.002  -0.790  -5.820
   99   HE22  GLN  17          HE22      GLN  17  17.785  -0.156  -7.414
  100    H    LEU  18           HN       LEU  18  14.644  -4.892  -2.580
  101    HA   LEU  18           HA       LEU  18  12.084  -3.517  -2.903
  102    HB2  LEU  18           HB2      LEU  18  13.117  -5.189  -0.615
  103    HB3  LEU  18           HB1      LEU  18  11.525  -4.461  -0.705
  104    HG   LEU  18           HG       LEU  18  12.506  -6.475  -2.709
  105   HD11  LEU  18          HD11      LEU  18  11.148  -8.113  -1.492
  106   HD12  LEU  18          HD12      LEU  18  10.882  -6.923  -0.219
  107   HD13  LEU  18          HD13      LEU  18  12.507  -7.527  -0.535
  108   HD21  LEU  18          HD21      LEU  18  10.118  -6.710  -3.185
  109   HD22  LEU  18          HD22      LEU  18  10.691  -5.070  -3.474
  110   HD23  LEU  18          HD23      LEU  18   9.769  -5.437  -2.018
  111    H    VAL  19           HN       VAL  19  11.496  -1.789  -1.689
  112    HA   VAL  19           HA       VAL  19  13.489  -0.637   0.140
  113    HB   VAL  19           HB       VAL  19  13.413   0.812  -1.777
  114   HG11  VAL  19          HG11      VAL  19  11.347   0.128  -2.800
  115   HG12  VAL  19          HG12      VAL  19  11.323   1.873  -2.551
  116   HG13  VAL  19          HG13      VAL  19  10.418   0.816  -1.467
  117   HG21  VAL  19          HG21      VAL  19  12.597   2.909  -0.785
  118   HG22  VAL  19          HG22      VAL  19  13.533   1.947   0.358
  119   HG23  VAL  19          HG23      VAL  19  11.774   1.980   0.466
  120    H    SER  20           HN       SER  20  12.754  -0.258   2.156
  121    HA   SER  20           HA       SER  20  10.030  -1.176   2.672
  122    HB2  SER  20           HB2      SER  20  11.874  -2.394   3.745
  123    HB3  SER  20           HB1      SER  20  12.385  -0.916   4.553
  124    HG   SER  20           HG       SER  20  10.728  -1.050   5.899
  125    H    CYS  21           HN       CYS  21   8.699  -0.180   4.184
  126    HA   CYS  21           HA       CYS  21   8.664   2.666   4.063
  127    HB2  CYS  21           HB2      CYS  21   6.665   1.086   4.185
  128    HB3  CYS  21           HB1      CYS  21   7.033   0.911   5.902
  129    H    LYS  22           HN       LYS  22   9.153   4.161   5.642
  130    HA   LYS  22           HA       LYS  22  10.859   3.148   7.788
  131    HB2  LYS  22           HB2      LYS  22  10.505   5.925   6.649
  132    HB3  LYS  22           HB1      LYS  22  11.616   5.514   7.950
  133    HG2  LYS  22           HG2      LYS  22  12.885   4.088   6.494
  134    HG3  LYS  22           HG1      LYS  22  11.710   4.305   5.196
  135    HD2  LYS  22           HD2      LYS  22  12.267   6.643   5.023
  136    HD3  LYS  22           HD1      LYS  22  13.344   6.524   6.415
  137    HE2  LYS  22           HE2      LYS  22  13.697   5.067   3.799
  138    HE3  LYS  22           HE1      LYS  22  14.564   6.524   4.279
  139    HZ1  LYS  22           HZ1      LYS  22  14.693   3.887   5.634
  140    HZ2  LYS  22           HZ2      LYS  22  15.479   5.284   6.162
  141    HZ3  LYS  22           HZ3      LYS  22  15.906   4.582   4.685
  142    H    LYS  23           HN       LYS  23   7.791   3.380   7.657
  143    HA   LYS  23           HA       LYS  23   7.349   5.000  10.060
  144    HB2  LYS  23           HB2      LYS  23   5.836   5.391   8.157
  145    HB3  LYS  23           HB1      LYS  23   5.366   3.697   8.180
  146    HG2  LYS  23           HG2      LYS  23   4.377   3.977  10.385
  147    HG3  LYS  23           HG1      LYS  23   4.882   5.666  10.409
  148    HD2  LYS  23           HD2      LYS  23   3.482   6.073   8.406
  149    HD3  LYS  23           HD1      LYS  23   2.928   4.399   8.486
  150    HE2  LYS  23           HE2      LYS  23   1.965   4.806  10.686
  151    HE3  LYS  23           HE1      LYS  23   2.552   6.469  10.653
  152    HZ1  LYS  23           HZ1      LYS  23   0.235   6.382  10.042
  153    HZ2  LYS  23           HZ2      LYS  23   0.554   5.279   8.803
  154    HZ3  LYS  23           HZ3      LYS  23   1.147   6.859   8.700
  155    HA   PRO  24           HA       PRO  24   7.683   1.097  12.348
  156    HB2  PRO  24           HB2      PRO  24   6.661   2.934  14.455
  157    HB3  PRO  24           HB1      PRO  24   8.018   1.805  14.513
  158    HG2  PRO  24           HG2      PRO  24   8.454   4.415  14.289
  159    HG3  PRO  24           HG1      PRO  24   9.443   3.251  13.387
  160    HD2  PRO  24           HD2      PRO  24   7.210   4.997  12.419
  161    HD3  PRO  24           HD1      PRO  24   8.721   4.542  11.603
  162    H    GLY  25           HN       GLY  25   6.155  -0.419  12.550
  163    HA2  GLY  25           HA2      GLY  25   3.957  -1.161  13.221
  164    HA3  GLY  25           HA1      GLY  25   3.345   0.439  12.799
  165    H    CYS  26           HN       CYS  26   5.042   0.449  10.370
  166    HA   CYS  26           HA       CYS  26   3.370  -1.295   8.690
  167    HB2  CYS  26           HB2      CYS  26   3.103   1.143   8.371
  168    HB3  CYS  26           HB1      CYS  26   4.826   1.277   8.035
  169    HA   PRO  27           HA       PRO  27   7.479  -3.027   7.892
  170    HB2  PRO  27           HB2      PRO  27   6.793  -5.592   8.038
  171    HB3  PRO  27           HB1      PRO  27   6.817  -4.599   9.503
  172    HG2  PRO  27           HG2      PRO  27   4.499  -5.566   7.899
  173    HG3  PRO  27           HG1      PRO  27   4.623  -5.299   9.652
  174    HD2  PRO  27           HD2      PRO  27   3.522  -3.522   7.709
  175    HD3  PRO  27           HD1      PRO  27   3.812  -3.193   9.433
  176    H    LYS  28           HN       LYS  28   5.212  -2.271   5.907
  177    HA   LYS  28           HA       LYS  28   5.226  -4.408   3.981
  178    HB2  LYS  28           HB2      LYS  28   3.495  -2.342   4.528
  179    HB3  LYS  28           HB1      LYS  28   4.302  -1.765   3.064
  180    HG2  LYS  28           HG2      LYS  28   2.235  -2.982   2.557
  181    HG3  LYS  28           HG1      LYS  28   3.656  -3.780   1.876
  182    HD2  LYS  28           HD2      LYS  28   3.642  -5.440   3.586
  183    HD3  LYS  28           HD1      LYS  28   2.429  -4.560   4.516
  184    HE2  LYS  28           HE2      LYS  28   0.757  -4.999   2.860
  185    HE3  LYS  28           HE1      LYS  28   1.954  -5.687   1.764
  186    HZ1  LYS  28           HZ1      LYS  28   0.618  -7.364   2.960
  187    HZ2  LYS  28           HZ2      LYS  28   1.285  -6.826   4.419
  188    HZ3  LYS  28           HZ3      LYS  28   2.285  -7.519   3.237
  189    H    VAL  29           HN       VAL  29   6.176  -4.394   1.926
  190    HA   VAL  29           HA       VAL  29   8.258  -2.375   1.496
  191    HB   VAL  29           HB       VAL  29   9.074  -4.503   2.718
  192   HG11  VAL  29          HG11      VAL  29   8.887  -5.583  -0.078
  193   HG12  VAL  29          HG12      VAL  29   7.979  -6.147   1.325
  194   HG13  VAL  29          HG13      VAL  29   9.731  -6.346   1.269
  195   HG21  VAL  29          HG21      VAL  29  11.189  -4.512   1.362
  196   HG22  VAL  29          HG22      VAL  29  10.656  -2.952   1.982
  197   HG23  VAL  29          HG23      VAL  29  10.392  -3.360   0.290
  198    H    TYR  30           HN       TYR  30   8.887  -2.124  -0.674
  199    HA   TYR  30           HA       TYR  30   7.484  -3.658  -2.734
  200    HB2  TYR  30           HB2      TYR  30   7.367  -0.635  -2.627
  201    HB3  TYR  30           HB1      TYR  30   6.631  -1.669  -3.842
  202    HD1  TYR  30           HD1      TYR  30   4.774  -3.265  -3.044
  203    HD2  TYR  30           HD2      TYR  30   6.146   0.055  -0.766
  204    HE1  TYR  30           HE1      TYR  30   2.674  -3.272  -1.774
  205    HE2  TYR  30           HE2      TYR  30   4.049   0.050   0.515
  206    HH   TYR  30           HH       TYR  30   1.836  -2.517   0.404
  207    H    HIS  31           HN       HIS  31   8.322  -2.976  -4.940
  208    HA   HIS  31           HA       HIS  31  11.177  -2.514  -4.861
  209    HB2  HIS  31           HB2      HIS  31   9.380  -2.631  -7.299
  210    HB3  HIS  31           HB1      HIS  31  11.137  -2.775  -7.275
  211    HD2  HIS  31           HD2      HIS  31  11.879  -5.165  -5.612
  212    HE1  HIS  31           HE1      HIS  31   8.535  -7.203  -7.219
  213    HE2  HIS  31           HE2      HIS  31  10.888  -7.470  -6.298
  214    H    ALA  32           HN       ALA  32  12.220  -0.689  -5.656
  215    HA   ALA  32           HA       ALA  32  10.891   1.785  -5.462
  216    HB1  ALA  32           HB1      ALA  32  12.971   2.745  -6.351
  217    HB2  ALA  32           HB2      ALA  32  13.538   1.121  -6.742
  218    HB3  ALA  32           HB3      ALA  32  13.270   1.582  -5.060
  219    H    ASP  33           HN       ASP  33  11.510  -0.386  -8.102
  220    HA   ASP  33           HA       ASP  33  11.060   1.335 -10.273
  221    HB2  ASP  33           HB2      ASP  33  12.098  -0.771 -10.695
  222    HB3  ASP  33           HB1      ASP  33  10.759  -1.654  -9.978
  223    H    CYS  34           HN       CYS  34   8.794  -0.881  -8.621
  224    HA   CYS  34           HA       CYS  34   6.610  -0.168 -10.297
  225    HB2  CYS  34           HB2      CYS  34   5.305  -1.343  -8.349
  226    HB3  CYS  34           HB1      CYS  34   6.379  -2.300  -9.368
  227    H    LEU  35           HN       LEU  35   7.910   1.117  -7.352
  228    HA   LEU  35           HA       LEU  35   5.564   2.677  -6.733
  229    HB2  LEU  35           HB2      LEU  35   8.374   2.798  -5.657
  230    HB3  LEU  35           HB1      LEU  35   7.028   3.727  -5.032
  231    HG   LEU  35           HG       LEU  35   7.226   0.718  -4.995
  232   HD11  LEU  35          HD11      LEU  35   8.819   1.514  -3.478
  233   HD12  LEU  35          HD12      LEU  35   7.385   1.204  -2.493
  234   HD13  LEU  35          HD13      LEU  35   7.790   2.850  -2.969
  235   HD21  LEU  35          HD21      LEU  35   5.220   2.599  -3.760
  236   HD22  LEU  35          HD22      LEU  35   5.287   0.858  -3.499
  237   HD23  LEU  35          HD23      LEU  35   4.917   1.496  -5.100
  238    H    ASN  36           HN       ASN  36   7.970   2.919  -8.996
  239    HA   ASN  36           HA       ASN  36   8.652   4.519 -10.438
  240    HB2  ASN  36           HB2      ASN  36   6.177   4.963 -10.553
  241    HB3  ASN  36           HB1      ASN  36   6.398   6.204  -9.329
  242   HD21  ASN  36          HD21      ASN  36   7.248   5.245 -12.597
  243   HD22  ASN  36          HD22      ASN  36   7.572   6.843 -13.178
  244    H    LEU  37           HN       LEU  37   9.801   4.321  -7.841
  245    HA   LEU  37           HA       LEU  37  10.344   7.001  -6.923
  246    HB2  LEU  37           HB2      LEU  37  11.496   4.333  -6.140
  247    HB3  LEU  37           HB1      LEU  37  11.983   5.849  -5.412
  248    HG   LEU  37           HG       LEU  37   9.238   4.601  -5.274
  249   HD11  LEU  37          HD11      LEU  37  11.309   5.077  -3.136
  250   HD12  LEU  37          HD12      LEU  37  10.944   3.519  -3.874
  251   HD13  LEU  37          HD13      LEU  37   9.721   4.348  -2.910
  252   HD21  LEU  37          HD21      LEU  37   8.706   6.445  -3.735
  253   HD22  LEU  37          HD22      LEU  37   9.040   7.015  -5.370
  254   HD23  LEU  37          HD23      LEU  37  10.261   7.188  -4.109
  255    H    THR  38           HN       THR  38  11.113   7.707  -9.056
  256    HA   THR  38           HA       THR  38  13.572   6.741 -10.100
  257    HB   THR  38           HB       THR  38  12.422   9.501 -10.526
  258    HG1  THR  38           HG1      THR  38  11.496   6.983 -11.300
  259   HG21  THR  38          HG21      THR  38  14.652   9.101 -11.459
  260   HG22  THR  38          HG22      THR  38  13.451   9.269 -12.739
  261   HG23  THR  38          HG23      THR  38  14.049   7.670 -12.296
  262    H    LYS  39           HN       LYS  39  12.664   9.274  -7.844
  263    HA   LYS  39           HA       LYS  39  15.496   9.875  -7.359
  264    HB2  LYS  39           HB2      LYS  39  13.010  11.324  -6.408
  265    HB3  LYS  39           HB1      LYS  39  14.659  11.804  -6.046
  266    HG2  LYS  39           HG2      LYS  39  15.081  12.222  -8.405
  267    HG3  LYS  39           HG1      LYS  39  13.450  11.686  -8.806
  268    HD2  LYS  39           HD2      LYS  39  13.558  14.110  -8.760
  269    HD3  LYS  39           HD1      LYS  39  12.528  13.518  -7.456
  270    HE2  LYS  39           HE2      LYS  39  13.985  15.334  -6.703
  271    HE3  LYS  39           HE1      LYS  39  14.340  13.827  -5.863
  272    HZ1  LYS  39           HZ1      LYS  39  15.877  14.809  -8.206
  273    HZ2  LYS  39           HZ2      LYS  39  16.272  13.510  -7.195
  274    HZ3  LYS  39           HZ3      LYS  39  16.324  15.090  -6.601
  275    H    ARG  40           HN       ARG  40  16.443   8.860  -5.724
  276    HA   ARG  40           HA       ARG  40  15.037   7.098  -4.025
  277    HB2  ARG  40           HB2      ARG  40  17.842   8.182  -3.746
  278    HB3  ARG  40           HB1      ARG  40  17.195   6.794  -2.887
  279    HG2  ARG  40           HG2      ARG  40  16.956   5.571  -4.949
  280    HG3  ARG  40           HG1      ARG  40  17.470   6.980  -5.876
  281    HD2  ARG  40           HD2      ARG  40  19.123   5.419  -3.894
  282    HD3  ARG  40           HD1      ARG  40  19.320   5.438  -5.646
  283    HE   ARG  40           HE       ARG  40  19.509   8.060  -4.584
  284   HH11  ARG  40          HH11      ARG  40  21.317   5.081  -4.911
  285   HH12  ARG  40          HH12      ARG  40  22.861   5.861  -4.793
  286   HH21  ARG  40          HH21      ARG  40  21.531   9.082  -4.417
  287   HH22  ARG  40          HH22      ARG  40  22.984   8.136  -4.499
  288    HA   PRO  41           HA       PRO  41  13.678  10.238  -1.138
  289    HB2  PRO  41           HB2      PRO  41  12.437   8.545   0.592
  290    HB3  PRO  41           HB1      PRO  41  11.718   9.069  -0.934
  291    HG2  PRO  41           HG2      PRO  41  13.144   6.522  -0.281
  292    HG3  PRO  41           HG1      PRO  41  11.661   6.765  -1.229
  293    HD2  PRO  41           HD2      PRO  41  14.069   6.363  -2.397
  294    HD3  PRO  41           HD1      PRO  41  12.832   7.404  -3.129
  295    H    ALA  42           HN       ALA  42  14.277  10.977   0.889
  296    HA   ALA  42           HA       ALA  42  16.260   9.371   2.346
  297    HB1  ALA  42           HB1      ALA  42  17.444  10.964   0.917
  298    HB2  ALA  42           HB2      ALA  42  17.660  11.358   2.621
  299    HB3  ALA  42           HB3      ALA  42  16.533  12.290   1.636
  300    H    GLY  43           HN       GLY  43  16.347   9.736   4.593
  301    HA2  GLY  43           HA2      GLY  43  15.748  10.691   6.632
  302    HA3  GLY  43           HA1      GLY  43  14.707  11.816   5.773
  303    H    LYS  44           HN       LYS  44  12.643  11.581   6.237
  304    HA   LYS  44           HA       LYS  44  11.676   8.950   7.097
  305    HB2  LYS  44           HB2      LYS  44  11.273  10.906   8.589
  306    HB3  LYS  44           HB1      LYS  44  10.312  11.640   7.312
  307    HG2  LYS  44           HG2      LYS  44   8.752  10.668   8.741
  308    HG3  LYS  44           HG1      LYS  44   8.888   9.532   7.398
  309    HD2  LYS  44           HD2      LYS  44  10.502   8.214   8.759
  310    HD3  LYS  44           HD1      LYS  44  10.184   9.301  10.112
  311    HE2  LYS  44           HE2      LYS  44   8.326   7.349   8.790
  312    HE3  LYS  44           HE1      LYS  44   8.785   7.457  10.489
  313    HZ1  LYS  44           HZ1      LYS  44   6.620   8.314  10.334
  314    HZ2  LYS  44           HZ2      LYS  44   6.977   9.238   8.966
  315    HZ3  LYS  44           HZ3      LYS  44   7.614   9.678  10.477
  316    H    TRP  45           HN       TRP  45  10.904   7.776   5.469
  317    HA   TRP  45           HA       TRP  45   9.330   9.137   3.405
  318    HB2  TRP  45           HB2      TRP  45  11.335   8.113   2.484
  319    HB3  TRP  45           HB1      TRP  45  10.917   6.573   3.227
  320    HD1  TRP  45           HD1      TRP  45   9.473   8.992   0.565
  321    HE1  TRP  45           HE1      TRP  45   8.247   7.594  -1.204
  322    HE3  TRP  45           HE3      TRP  45  10.011   4.376   2.690
  323    HZ2  TRP  45           HZ2      TRP  45   7.591   4.872  -1.641
  324    HZ3  TRP  45           HZ3      TRP  45   9.057   2.425   1.533
  325    HH2  TRP  45           HH2      TRP  45   7.873   2.670  -0.584
  326    H    GLU  46           HN       GLU  46   7.237   8.724   3.355
  327    HA   GLU  46           HA       GLU  46   6.167   6.414   4.802
  328    HB2  GLU  46           HB2      GLU  46   4.578   8.573   3.409
  329    HB3  GLU  46           HB1      GLU  46   4.044   7.500   4.691
  330    HG2  GLU  46           HG2      GLU  46   6.076   9.693   5.009
  331    HG3  GLU  46           HG1      GLU  46   4.372   9.818   5.432
  332    H    CYS  47           HN       CYS  47   5.361   4.654   3.691
  333    HA   CYS  47           HA       CYS  47   5.723   4.444   0.887
  334    HB2  CYS  47           HB2      CYS  47   4.766   2.255   1.048
  335    HB3  CYS  47           HB1      CYS  47   5.711   2.498   2.511
  336    HA   PRO  48           HA       PRO  48   2.061   6.371  -0.649
  337    HB2  PRO  48           HB2      PRO  48   1.621   4.867  -2.909
  338    HB3  PRO  48           HB1      PRO  48   2.818   6.164  -2.790
  339    HG2  PRO  48           HG2      PRO  48   3.190   3.211  -2.590
  340    HG3  PRO  48           HG1      PRO  48   4.222   4.429  -3.364
  341    HD2  PRO  48           HD2      PRO  48   4.798   3.354  -0.946
  342    HD3  PRO  48           HD1      PRO  48   5.231   5.023  -1.370
  343    H    TRP  49           HN       TRP  49   2.101   3.236   0.505
  344    HA   TRP  49           HA       TRP  49  -0.668   2.586   0.107
  345    HB2  TRP  49           HB2      TRP  49   1.322   0.997   0.655
  346    HB3  TRP  49           HB1      TRP  49   1.086   1.522   2.322
  347    HD1  TRP  49           HD1      TRP  49  -1.745   0.648  -0.172
  348    HE1  TRP  49           HE1      TRP  49  -3.064  -1.351   0.782
  349    HE3  TRP  49           HE3      TRP  49   1.118  -0.317   3.959
  350    HZ2  TRP  49           HZ2      TRP  49  -2.918  -3.080   2.998
  351    HZ3  TRP  49           HZ3      TRP  49   0.454  -2.158   5.448
  352    HH2  TRP  49           HH2      TRP  49  -1.527  -3.516   4.973
  353    H    HIS  50           HN       HIS  50   0.940   4.892   1.869
  354    HA   HIS  50           HA       HIS  50  -1.268   5.173   3.794
  355    HB2  HIS  50           HB2      HIS  50   1.362   6.676   3.710
  356    HB3  HIS  50           HB1      HIS  50   0.137   6.774   4.976
  357    HD1  HIS  50           HD1      HIS  50  -0.143   3.473   4.957
  358    HD2  HIS  50           HD2      HIS  50   3.228   5.826   5.549
  359    HE1  HIS  50           HE1      HIS  50   1.512   2.044   6.237
  360    H    GLN  51           HN       GLN  51  -0.848   5.914   0.768
  361    HA   GLN  51           HA       GLN  51  -1.713   8.716   1.034
  362    HB2  GLN  51           HB2      GLN  51  -0.085   7.528  -1.225
  363    HB3  GLN  51           HB1      GLN  51  -0.659   9.188  -1.134
  364    HG2  GLN  51           HG2      GLN  51   1.147   7.986   0.934
  365    HG3  GLN  51           HG1      GLN  51   1.753   8.787  -0.512
  366   HE21  GLN  51          HE21      GLN  51   0.037   9.231   2.514
  367   HE22  GLN  51          HE22      GLN  51   0.247  10.945   2.586
  368    H    CYS  52           HN       CYS  52  -3.567   9.223   0.169
  369    HA   CYS  52           HA       CYS  52  -5.336   7.252  -0.801
  370    HB2  CYS  52           HB2      CYS  52  -6.072   9.262   0.397
  371    HB3  CYS  52           HB1      CYS  52  -5.501  10.268  -0.923
  372    H    ASP  53           HN       ASP  53  -5.440   6.403  -2.756
  373    HA   ASP  53           HA       ASP  53  -3.760   7.150  -4.866
  374    HB2  ASP  53           HB2      ASP  53  -4.726   4.883  -4.602
  375    HB3  ASP  53           HB1      ASP  53  -6.312   5.519  -5.027
  376    H    VAL  54           HN       VAL  54  -6.856   8.356  -3.954
  377    HA   VAL  54           HA       VAL  54  -7.502   9.374  -6.574
  378    HB   VAL  54           HB       VAL  54  -8.857   9.870  -3.920
  379   HG11  VAL  54          HG11      VAL  54 -10.728  10.713  -5.256
  380   HG12  VAL  54          HG12      VAL  54  -9.752  10.547  -6.716
  381   HG13  VAL  54          HG13      VAL  54  -9.278  11.696  -5.464
  382   HG21  VAL  54          HG21      VAL  54  -9.541   8.030  -6.205
  383   HG22  VAL  54          HG22      VAL  54 -10.575   8.345  -4.812
  384   HG23  VAL  54          HG23      VAL  54  -9.014   7.552  -4.592
  385    H    CYS  55           HN       CYS  55  -6.743  10.914  -3.408
  386    HA   CYS  55           HA       CYS  55  -6.372  13.395  -4.926
  387    HB2  CYS  55           HB2      CYS  55  -6.745  14.605  -2.826
  388    HB3  CYS  55           HB1      CYS  55  -8.095  13.563  -3.246
  389    H    GLY  56           HN       GLY  56  -4.575  11.062  -3.213
  390    HA2  GLY  56           HA2      GLY  56  -2.255  10.952  -3.117
  391    HA3  GLY  56           HA1      GLY  56  -2.182  12.631  -3.641
  392    H    LYS  57           HN       LYS  57  -4.315  12.452  -1.096
  393    HA   LYS  57           HA       LYS  57  -2.286  13.471   0.728
  394    HB2  LYS  57           HB2      LYS  57  -5.297  13.470   0.874
  395    HB3  LYS  57           HB1      LYS  57  -4.262  14.078   2.155
  396    HG2  LYS  57           HG2      LYS  57  -3.344  15.746   0.650
  397    HG3  LYS  57           HG1      LYS  57  -4.348  15.124  -0.662
  398    HD2  LYS  57           HD2      LYS  57  -6.355  15.726   0.538
  399    HD3  LYS  57           HD1      LYS  57  -5.403  16.238   1.932
  400    HE2  LYS  57           HE2      LYS  57  -6.164  18.134   0.556
  401    HE3  LYS  57           HE1      LYS  57  -4.408  18.022   0.646
  402    HZ1  LYS  57           HZ1      LYS  57  -6.065  17.043  -1.616
  403    HZ2  LYS  57           HZ2      LYS  57  -4.375  17.024  -1.533
  404    HZ3  LYS  57           HZ3      LYS  57  -5.200  18.494  -1.598
  405    H    GLU  58           HN       GLU  58  -3.213  12.953   3.159
  406    HA   GLU  58           HA       GLU  58  -2.267  10.423   3.766
  407    HB2  GLU  58           HB2      GLU  58  -3.213  10.802   6.016
  408    HB3  GLU  58           HB1      GLU  58  -2.320  12.190   5.413
  409    HG2  GLU  58           HG2      GLU  58  -4.446  13.248   4.779
  410    HG3  GLU  58           HG1      GLU  58  -5.310  11.873   5.467
  411    H    ALA  59           HN       ALA  59  -3.128   8.459   3.990
  412    HA   ALA  59           HA       ALA  59  -5.919   8.098   3.194
  413    HB1  ALA  59           HB1      ALA  59  -3.631   6.146   3.306
  414    HB2  ALA  59           HB2      ALA  59  -4.313   6.897   1.862
  415    HB3  ALA  59           HB3      ALA  59  -5.275   5.757   2.800
  416    H    ALA  60           HN       ALA  60  -7.363   6.889   4.407
  417    HA   ALA  60           HA       ALA  60  -6.579   6.494   7.214
  418    HB1  ALA  60           HB1      ALA  60  -8.349   8.131   6.894
  419    HB2  ALA  60           HB2      ALA  60  -8.958   6.714   7.748
  420    HB3  ALA  60           HB3      ALA  60  -9.318   6.933   6.035
  421    H    SER  61           HN       SER  61  -7.997   4.975   4.410
  422    HA   SER  61           HA       SER  61  -7.917   2.424   5.861
  423    HB2  SER  61           HB2      SER  61  -9.836   1.705   4.412
  424    HB3  SER  61           HB1      SER  61 -10.240   2.995   5.541
  425    HG   SER  61           HG       SER  61  -9.865   3.130   2.758
  426    H    PHE  62           HN       PHE  62  -7.161   0.639   4.685
  427    HA   PHE  62           HA       PHE  62  -5.653   1.397   2.266
  428    HB2  PHE  62           HB2      PHE  62  -4.698  -0.659   4.253
  429    HB3  PHE  62           HB1      PHE  62  -3.751   0.264   3.082
  430    HD1  PHE  62           HD1      PHE  62  -4.564  -0.068   6.457
  431    HD2  PHE  62           HD2      PHE  62  -3.821   2.901   3.503
  432    HE1  PHE  62           HE1      PHE  62  -4.033   1.557   8.225
  433    HE2  PHE  62           HE2      PHE  62  -3.293   4.527   5.267
  434    HZ   PHE  62           HZ       PHE  62  -3.395   3.858   7.629
  435    H    CYS  63           HN       CYS  63  -5.948   0.073   0.514
  436    HA   CYS  63           HA       CYS  63  -7.630  -2.225   0.688
  437    HB2  CYS  63           HB2      CYS  63  -7.363  -0.847  -1.405
  438    HB3  CYS  63           HB1      CYS  63  -5.751  -1.534  -1.585
  439    H    GLU  64           HN       GLU  64  -7.102  -4.200   1.298
  440    HA   GLU  64           HA       GLU  64  -4.304  -4.798   1.839
  441    HB2  GLU  64           HB2      GLU  64  -6.780  -6.425   2.425
  442    HB3  GLU  64           HB1      GLU  64  -5.163  -6.757   3.025
  443    HG2  GLU  64           HG2      GLU  64  -5.195  -4.673   4.294
  444    HG3  GLU  64           HG1      GLU  64  -6.802  -4.312   3.667
  445    H    MET  65           HN       MET  65  -5.713  -4.768  -0.897
  446    HA   MET  65           HA       MET  65  -4.601  -7.356  -1.746
  447    HB2  MET  65           HB2      MET  65  -7.071  -5.999  -2.842
  448    HB3  MET  65           HB1      MET  65  -6.322  -7.442  -3.528
  449    HG2  MET  65           HG2      MET  65  -6.763  -8.662  -1.463
  450    HG3  MET  65           HG1      MET  65  -7.494  -7.221  -0.759
  451    HE1  MET  65           HE1      MET  65  -7.786 -10.055  -3.416
  452    HE2  MET  65           HE2      MET  65  -7.842  -8.636  -4.461
  453    HE3  MET  65           HE3      MET  65  -9.276  -9.641  -4.265
  454    H    CYS  66           HN       CYS  66  -4.150  -4.116  -1.864
  455    HA   CYS  66           HA       CYS  66  -2.175  -4.306  -3.859
  456    HB2  CYS  66           HB2      CYS  66  -3.061  -2.970  -5.624
  457    HB3  CYS  66           HB1      CYS  66  -4.291  -4.177  -5.278
  458    HA   PRO  67           HA       PRO  67  -0.734  -0.781  -1.643
  459    HB2  PRO  67           HB2      PRO  67   0.316   0.475  -4.087
  460    HB3  PRO  67           HB1      PRO  67   1.192  -0.186  -2.704
  461    HG2  PRO  67           HG2      PRO  67   1.217  -1.414  -5.082
  462    HG3  PRO  67           HG1      PRO  67   1.196  -2.331  -3.564
  463    HD2  PRO  67           HD2      PRO  67  -1.090  -1.702  -5.417
  464    HD3  PRO  67           HD1      PRO  67  -0.665  -3.248  -4.639
  465    H    SER  68           HN       SER  68  -3.403  -0.440  -3.335
  466    HA   SER  68           HA       SER  68  -3.399   2.468  -3.557
  467    HB2  SER  68           HB2      SER  68  -5.566   0.479  -4.270
  468    HB3  SER  68           HB1      SER  68  -5.585   2.206  -4.628
  469    HG   SER  68           HG       SER  68  -3.513   1.723  -5.776
  470    H    SER  69           HN       SER  69  -3.797   3.555  -1.761
  471    HA   SER  69           HA       SER  69  -5.852   2.528   0.081
  472    HB2  SER  69           HB2      SER  69  -4.684   3.992   1.789
  473    HB3  SER  69           HB1      SER  69  -3.739   2.613   1.220
  474    HG   SER  69           HG       SER  69  -3.432   4.956  -0.233
  475    H    PHE  70           HN       PHE  70  -7.043   4.355   1.279
  476    HA   PHE  70           HA       PHE  70  -7.403   6.682  -0.475
  477    HB2  PHE  70           HB2      PHE  70  -9.669   4.930   0.503
  478    HB3  PHE  70           HB1      PHE  70  -9.841   6.425  -0.420
  479    HD1  PHE  70           HD1      PHE  70  -8.776   6.488  -2.739
  480    HD2  PHE  70           HD2      PHE  70  -9.508   2.892  -0.594
  481    HE1  PHE  70           HE1      PHE  70  -8.676   5.221  -4.846
  482    HE2  PHE  70           HE2      PHE  70  -9.411   1.612  -2.696
  483    HZ   PHE  70           HZ       PHE  70  -8.971   2.750  -4.808
  484    H    CYS  71           HN       CYS  71  -8.315   8.496   0.513
  485    HA   CYS  71           HA       CYS  71  -7.907   8.677   3.363
  486    HB2  CYS  71           HB2      CYS  71  -8.314  11.034   3.109
  487    HB3  CYS  71           HB1      CYS  71  -7.314  10.523   1.752
  488    H    LYS  72           HN       LYS  72  -9.721   9.970   4.607
  489    HA   LYS  72           HA       LYS  72 -11.908   8.273   4.866
  490    HB2  LYS  72           HB2      LYS  72 -11.540  11.129   5.728
  491    HB3  LYS  72           HB1      LYS  72 -12.951  10.170   6.161
  492    HG2  LYS  72           HG2      LYS  72 -11.487   8.536   7.253
  493    HG3  LYS  72           HG1      LYS  72 -10.092   9.532   6.843
  494    HD2  LYS  72           HD2      LYS  72 -10.954  11.344   8.198
  495    HD3  LYS  72           HD1      LYS  72 -12.411  10.412   8.552
  496    HE2  LYS  72           HE2      LYS  72 -11.079   8.728   9.683
  497    HE3  LYS  72           HE1      LYS  72  -9.605   9.608   9.293
  498    HZ1  LYS  72           HZ1      LYS  72 -10.433  11.464  10.620
  499    HZ2  LYS  72           HZ2      LYS  72 -10.284  10.057  11.544
  500    HZ3  LYS  72           HZ3      LYS  72 -11.809  10.569  11.026
  501    H    GLN  73           HN       GLN  73 -11.571  11.207   2.962
  502    HA   GLN  73           HA       GLN  73 -14.298  11.441   2.247
  503    HB2  GLN  73           HB2      GLN  73 -11.775  12.504   1.005
  504    HB3  GLN  73           HB1      GLN  73 -13.355  12.821   0.312
  505    HG2  GLN  73           HG2      GLN  73 -12.822  14.706   1.615
  506    HG3  GLN  73           HG1      GLN  73 -14.005  13.795   2.550
  507   HE21  GLN  73          HE21      GLN  73 -10.595  12.993   2.216
  508   HE22  GLN  73          HE22      GLN  73 -10.183  13.276   3.874
  509    H    HIS  74           HN       HIS  74 -11.547   9.836   0.717
  510    HA   HIS  74           HA       HIS  74 -13.292   9.090  -1.516
  511    HB2  HIS  74           HB2      HIS  74 -10.270   9.092  -1.333
  512    HB3  HIS  74           HB1      HIS  74 -11.199   8.614  -2.757
  513    HD2  HIS  74           HD2      HIS  74 -13.308  11.084  -2.793
  514    HE1  HIS  74           HE1      HIS  74  -9.840  13.493  -2.900
  515    HE2  HIS  74           HE2      HIS  74 -12.363  13.482  -3.096
  516    H    ARG  75           HN       ARG  75 -12.865   7.672   1.236
  517    HA   ARG  75           HA       ARG  75 -12.067   5.059   0.220
  518    HB2  ARG  75           HB2      ARG  75 -12.219   4.268   2.509
  519    HB3  ARG  75           HB1      ARG  75 -11.239   5.723   2.432
  520    HG2  ARG  75           HG2      ARG  75 -13.173   7.030   3.225
  521    HG3  ARG  75           HG1      ARG  75 -14.095   5.531   3.361
  522    HD2  ARG  75           HD2      ARG  75 -12.541   4.678   5.000
  523    HD3  ARG  75           HD1      ARG  75 -11.508   6.090   4.812
  524    HE   ARG  75           HE       ARG  75 -13.877   7.169   5.544
  525   HH11  ARG  75          HH11      ARG  75 -11.979   4.557   6.895
  526   HH12  ARG  75          HH12      ARG  75 -12.448   4.889   8.529
  527   HH21  ARG  75          HH21      ARG  75 -14.492   7.620   7.705
  528   HH22  ARG  75          HH22      ARG  75 -13.872   6.634   8.992
  529    H    GLU  76           HN       GLU  76 -14.922   6.792   1.182
  530    HA   GLU  76           HA       GLU  76 -16.617   4.532   1.379
  531    HB2  GLU  76           HB2      GLU  76 -17.187   7.464   1.007
  532    HB3  GLU  76           HB1      GLU  76 -18.453   6.255   1.164
  533    HG2  GLU  76           HG2      GLU  76 -17.529   5.619   3.359
  534    HG3  GLU  76           HG1      GLU  76 -16.339   6.907   3.204
  535    H    GLY  77           HN       GLY  77 -17.516   3.350  -0.183
  536    HA2  GLY  77           HA2      GLY  77 -18.464   2.856  -2.246
  537    HA3  GLY  77           HA1      GLY  77 -18.115   4.499  -2.770
  538    H    MET  78           HN       MET  78 -15.255   3.800  -1.668
  539    HA   MET  78           HA       MET  78 -14.366   2.667  -4.230
  540    HB2  MET  78           HB2      MET  78 -12.862   4.365  -2.220
  541    HB3  MET  78           HB1      MET  78 -12.148   3.671  -3.671
  542    HG2  MET  78           HG2      MET  78 -14.400   5.676  -3.592
  543    HG3  MET  78           HG1      MET  78 -12.718   6.014  -4.004
  544    HE1  MET  78           HE1      MET  78 -15.142   6.866  -5.816
  545    HE2  MET  78           HE2      MET  78 -14.580   6.407  -7.423
  546    HE3  MET  78           HE3      MET  78 -13.468   7.162  -6.283
  547    H    LEU  79           HN       LEU  79 -13.926   2.392  -0.723
  548    HA   LEU  79           HA       LEU  79 -12.595  -0.193  -1.201
  549    HB2  LEU  79           HB2      LEU  79 -11.319   1.704  -0.031
  550    HB3  LEU  79           HB1      LEU  79 -12.427   1.467   1.309
  551    HG   LEU  79           HG       LEU  79 -11.618  -0.877   1.510
  552   HD11  LEU  79          HD11      LEU  79  -9.535  -1.493   0.386
  553   HD12  LEU  79          HD12      LEU  79  -9.590   0.006  -0.537
  554   HD13  LEU  79          HD13      LEU  79 -10.834  -1.217  -0.770
  555   HD21  LEU  79          HD21      LEU  79  -9.360  -0.235   2.389
  556   HD22  LEU  79          HD22      LEU  79 -10.703   0.744   2.977
  557   HD23  LEU  79          HD23      LEU  79  -9.637   1.373   1.722
  558    H    PHE  80           HN       PHE  80 -13.421  -1.984  -0.186
  559    HA   PHE  80           HA       PHE  80 -15.525  -1.700   1.799
  560    HB2  PHE  80           HB2      PHE  80 -17.063  -3.191   0.513
  561    HB3  PHE  80           HB1      PHE  80 -16.818  -1.628  -0.250
  562    HD1  PHE  80           HD1      PHE  80 -15.783  -1.447  -2.400
  563    HD2  PHE  80           HD2      PHE  80 -16.047  -5.225  -0.449
  564    HE1  PHE  80           HE1      PHE  80 -15.167  -2.572  -4.491
  565    HE2  PHE  80           HE2      PHE  80 -15.432  -6.348  -2.545
  566    HZ   PHE  80           HZ       PHE  80 -14.990  -5.023  -4.569
  567    H    ILE  81           HN       ILE  81 -16.178  -3.923   2.624
  568    HA   ILE  81           HA       ILE  81 -13.747  -5.465   2.973
  569    HB   ILE  81           HB       ILE  81 -16.462  -5.739   4.252
  570   HG12  ILE  81          HG12      ILE  81 -15.135  -3.755   4.928
  571   HG13  ILE  81          HG11      ILE  81 -15.373  -4.891   6.249
  572   HG21  ILE  81          HG21      ILE  81 -13.930  -7.289   4.747
  573   HG22  ILE  81          HG22      ILE  81 -15.463  -7.921   4.144
  574   HG23  ILE  81          HG23      ILE  81 -15.346  -7.321   5.798
  575   HD11  ILE  81          HD11      ILE  81 -12.877  -4.527   4.621
  576   HD12  ILE  81          HD12      ILE  81 -13.106  -5.768   5.851
  577   HD13  ILE  81          HD13      ILE  81 -13.132  -4.063   6.301
  578    H    SER  82           HN       SER  82 -13.278  -7.229   1.912
  579    HA   SER  82           HA       SER  82 -14.957  -8.335  -0.085
  580    HB2  SER  82           HB2      SER  82 -12.585  -8.487  -0.376
  581    HB3  SER  82           HB1      SER  82 -12.378  -9.276   1.185
  582    HG   SER  82           HG       SER  82 -13.492 -10.318  -1.200
  583    H    LYS  83           HN       LYS  83 -16.552  -9.771   0.142
  584    HA   LYS  83           HA       LYS  83 -17.135 -10.965   2.669
  585    HB2  LYS  83           HB2      LYS  83 -18.297 -11.456  -0.074
  586    HB3  LYS  83           HB1      LYS  83 -18.925 -12.156   1.412
  587    HG2  LYS  83           HG2      LYS  83 -19.441  -9.948   2.268
  588    HG3  LYS  83           HG1      LYS  83 -18.748  -9.210   0.823
  589    HD2  LYS  83           HD2      LYS  83 -20.436 -10.343  -0.550
  590    HD3  LYS  83           HD1      LYS  83 -21.136 -11.052   0.905
  591    HE2  LYS  83           HE2      LYS  83 -21.690  -8.845   1.744
  592    HE3  LYS  83           HE1      LYS  83 -20.912  -8.095   0.350
  593    HZ1  LYS  83           HZ1      LYS  83 -22.546  -9.203  -1.074
  594    HZ2  LYS  83           HZ2      LYS  83 -23.281  -8.162   0.035
  595    HZ3  LYS  83           HZ3      LYS  83 -23.320  -9.832   0.292
  596    H    LEU  84           HN       LEU  84 -15.157 -11.784   0.046
  597    HA   LEU  84           HA       LEU  84 -15.195 -14.631   0.529
  598    HB2  LEU  84           HB2      LEU  84 -13.511 -12.927  -1.291
  599    HB3  LEU  84           HB1      LEU  84 -13.452 -14.677  -1.237
  600    HG   LEU  84           HG       LEU  84 -15.883 -13.054  -2.005
  601   HD11  LEU  84          HD11      LEU  84 -13.975 -14.623  -3.729
  602   HD12  LEU  84          HD12      LEU  84 -14.100 -12.866  -3.661
  603   HD13  LEU  84          HD13      LEU  84 -15.449 -13.822  -4.272
  604   HD21  LEU  84          HD21      LEU  84 -16.754 -15.233  -2.778
  605   HD22  LEU  84          HD22      LEU  84 -16.516 -15.170  -1.033
  606   HD23  LEU  84          HD23      LEU  84 -15.356 -16.022  -2.051
  607    H    ASP  85           HN       ASP  85 -12.756 -12.028   0.755
  608    HA   ASP  85           HA       ASP  85 -11.066 -13.866   2.300
  609    HB2  ASP  85           HB2      ASP  85 -10.473 -11.439   0.667
  610    HB3  ASP  85           HB1      ASP  85  -9.382 -11.869   1.976
  611    H    GLY  86           HN       GLY  86 -13.054 -11.131   2.748
  612    HA2  GLY  86           HA2      GLY  86 -13.565 -10.006   4.706
  613    HA3  GLY  86           HA1      GLY  86 -12.324 -10.939   5.530
  614    H    ARG  87           HN       ARG  87 -10.887  -9.775   2.866
  615    HA   ARG  87           HA       ARG  87  -9.383  -7.814   4.318
  616    HB2  ARG  87           HB2      ARG  87  -9.329  -8.727   1.443
  617    HB3  ARG  87           HB1      ARG  87  -8.247  -7.504   2.080
  618    HG2  ARG  87           HG2      ARG  87  -7.387  -9.172   3.698
  619    HG3  ARG  87           HG1      ARG  87  -8.401 -10.389   2.916
  620    HD2  ARG  87           HD2      ARG  87  -7.256  -9.892   0.774
  621    HD3  ARG  87           HD1      ARG  87  -6.192  -8.784   1.637
  622    HE   ARG  87           HE       ARG  87  -6.217 -11.463   2.698
  623   HH11  ARG  87          HH11      ARG  87  -4.711  -9.256   0.432
  624   HH12  ARG  87          HH12      ARG  87  -3.283 -10.223   0.251
  625   HH21  ARG  87          HH21      ARG  87  -4.323 -12.731   2.469
  626   HH22  ARG  87          HH22      ARG  87  -3.057 -12.191   1.409
  627    H    LEU  88           HN       LEU  88  -9.232  -5.610   3.890
  628    HA   LEU  88           HA       LEU  88 -11.461  -4.250   2.749
  629    HB2  LEU  88           HB2      LEU  88  -8.657  -3.345   3.419
  630    HB3  LEU  88           HB1      LEU  88  -9.905  -2.270   2.834
  631    HG   LEU  88           HG       LEU  88 -10.478  -3.876   5.272
  632   HD11  LEU  88          HD11      LEU  88  -8.222  -2.987   5.654
  633   HD12  LEU  88          HD12      LEU  88  -9.417  -2.187   6.676
  634   HD13  LEU  88          HD13      LEU  88  -8.795  -1.372   5.241
  635   HD21  LEU  88          HD21      LEU  88 -11.133  -1.059   4.406
  636   HD22  LEU  88          HD22      LEU  88 -11.739  -1.865   5.855
  637   HD23  LEU  88          HD23      LEU  88 -12.200  -2.456   4.259
  638    H    SER  89           HN       SER  89 -11.902  -4.282   0.631
  639    HA   SER  89           HA       SER  89  -9.639  -4.513  -1.240
  640    HB2  SER  89           HB2      SER  89 -10.964  -6.611  -1.004
  641    HB3  SER  89           HB1      SER  89 -12.392  -5.738  -1.561
  642    HG   SER  89           HG       SER  89 -10.296  -6.765  -2.982
  643    H    CYS  90           HN       CYS  90  -9.608  -3.161  -2.944
  644    HA   CYS  90           HA       CYS  90 -11.496  -0.972  -2.927
  645    HB2  CYS  90           HB2      CYS  90  -9.992   0.139  -4.444
  646    HB3  CYS  90           HB1      CYS  90  -9.017  -0.621  -3.186
  647    H    THR  91           HN       THR  91 -12.461  -0.178  -4.932
  648    HA   THR  91           HA       THR  91 -13.998  -2.217  -6.159
  649    HB   THR  91           HB       THR  91 -14.831  -0.259  -7.580
  650    HG1  THR  91           HG1      THR  91 -14.064   1.673  -5.952
  651   HG21  THR  91          HG21      THR  91 -16.050  -1.050  -5.650
  652   HG22  THR  91          HG22      THR  91 -16.063   0.713  -5.671
  653   HG23  THR  91          HG23      THR  91 -14.987  -0.147  -4.572
  654    H    GLU  92           HN       GLU  92 -10.907  -1.343  -6.829
  655    HA   GLU  92           HA       GLU  92 -11.036  -1.458  -9.706
  656    HB2  GLU  92           HB2      GLU  92  -8.646  -1.601  -7.857
  657    HB3  GLU  92           HB1      GLU  92  -8.589  -1.374  -9.599
  658    HG2  GLU  92           HG2      GLU  92  -9.904   0.539  -7.685
  659    HG3  GLU  92           HG1      GLU  92  -8.256   0.703  -8.279
  660    H    HIS  93           HN       HIS  93 -11.186  -3.695  -7.228
  661    HA   HIS  93           HA       HIS  93 -10.069  -5.846  -8.899
  662    HB2  HIS  93           HB2      HIS  93 -10.843  -6.006  -5.977
  663    HB3  HIS  93           HB1      HIS  93  -9.952  -7.206  -6.899
  664    HD1  HIS  93           HD1      HIS  93  -8.056  -4.757  -8.134
  665    HD2  HIS  93           HD2      HIS  93  -8.722  -5.889  -4.193
  666    HE1  HIS  93           HE1      HIS  93  -6.102  -3.863  -6.794
  667    H    ASP  94           HN       ASP  94 -11.659  -6.660 -10.162
  668    HA   ASP  94           HA       ASP  94 -14.313  -7.026  -8.968
  669    HB2  ASP  94           HB2      ASP  94 -13.407  -7.053 -11.851
  670    HB3  ASP  94           HB1      ASP  94 -15.020  -7.535 -11.343
  Start of MODEL    8
    1    H1   GLY   1           HT1      GLY   1  18.117  -8.197  10.870
    2    H2   GLY   1           HT2      GLY   1  17.600  -7.977   9.275
    3    H3   GLY   1           HT3      GLY   1  17.377  -9.469  10.037
    4    HA2  GLY   1           HA1      GLY   1  15.297  -8.268   9.956
    5    HA3  GLY   1           HA2      GLY   1  15.845  -8.471  11.614
    6    H    ALA   2           HN       ALA   2  14.119  -6.415  10.243
    7    HA   ALA   2           HA       ALA   2  15.563  -4.064  11.246
    8    HB1  ALA   2           HB1      ALA   2  14.827  -2.730   9.347
    9    HB2  ALA   2           HB2      ALA   2  14.056  -4.147   8.635
   10    HB3  ALA   2           HB3      ALA   2  15.809  -4.092   8.809
   11    H    MET   3           HN       MET   3  13.991  -4.997  12.962
   12    HA   MET   3           HA       MET   3  12.224  -4.589  14.322
   13    HB2  MET   3           HB2      MET   3  12.531  -2.213  13.735
   14    HB3  MET   3           HB1      MET   3  11.485  -2.427  12.341
   15    HG2  MET   3           HG2      MET   3  10.255  -1.381  14.111
   16    HG3  MET   3           HG1      MET   3   9.632  -3.008  13.852
   17    HE1  MET   3           HE1      MET   3  11.878  -0.724  16.065
   18    HE2  MET   3           HE2      MET   3  12.983  -2.063  15.751
   19    HE3  MET   3           HE3      MET   3  12.353  -1.803  17.376
   20    H    GLU   4           HN       GLU   4  10.607  -3.719  11.300
   21    HA   GLU   4           HA       GLU   4   9.297  -6.311  11.160
   22    HB2  GLU   4           HB2      GLU   4   7.750  -3.722  11.371
   23    HB3  GLU   4           HB1      GLU   4   7.053  -5.277  10.961
   24    HG2  GLU   4           HG2      GLU   4   7.621  -6.131  13.152
   25    HG3  GLU   4           HG1      GLU   4   8.397  -4.603  13.561
   26    H    ARG   5           HN       ARG   5   9.939  -6.824   9.158
   27    HA   ARG   5           HA       ARG   5   9.294  -5.012   6.968
   28    HB2  ARG   5           HB2      ARG   5  11.608  -4.462   7.593
   29    HB3  ARG   5           HB1      ARG   5  12.060  -6.151   7.430
   30    HG2  ARG   5           HG2      ARG   5  11.574  -6.062   5.044
   31    HG3  ARG   5           HG1      ARG   5  11.086  -4.373   5.202
   32    HD2  ARG   5           HD2      ARG   5  13.827  -5.452   5.846
   33    HD3  ARG   5           HD1      ARG   5  13.387  -4.639   4.348
   34    HE   ARG   5           HE       ARG   5  12.735  -3.011   6.565
   35   HH11  ARG   5          HH11      ARG   5  15.489  -4.160   4.734
   36   HH12  ARG   5          HH12      ARG   5  16.469  -2.776   5.091
   37   HH21  ARG   5          HH21      ARG   5  14.013  -1.181   7.030
   38   HH22  ARG   5          HH22      ARG   5  15.627  -1.074   6.394
   39    H    GLU   6           HN       GLU   6   8.346  -6.127   5.392
   40    HA   GLU   6           HA       GLU   6   8.306  -9.008   5.464
   41    HB2  GLU   6           HB2      GLU   6   6.341  -7.457   4.926
   42    HB3  GLU   6           HB1      GLU   6   7.088  -7.236   3.350
   43    HG2  GLU   6           HG2      GLU   6   6.874  -9.584   2.868
   44    HG3  GLU   6           HG1      GLU   6   6.259  -9.894   4.490
   45    H    ASP   7           HN       ASP   7   8.781 -10.320   3.527
   46    HA   ASP   7           HA       ASP   7  11.158  -9.255   2.156
   47    HB2  ASP   7           HB2      ASP   7  10.425 -12.044   3.005
   48    HB3  ASP   7           HB1      ASP   7  11.620 -11.767   1.746
   49    H    GLU   8           HN       GLU   8   8.427  -8.841   1.246
   50    HA   GLU   8           HA       GLU   8   8.777  -9.766  -1.471
   51    HB2  GLU   8           HB2      GLU   8   7.556 -11.616  -0.350
   52    HB3  GLU   8           HB1      GLU   8   6.293 -10.481   0.101
   53    HG2  GLU   8           HG2      GLU   8   5.813 -10.084  -2.262
   54    HG3  GLU   8           HG1      GLU   8   7.069 -11.238  -2.707
   55    H    CYS   9           HN       CYS   9   7.551  -8.548  -2.977
   56    HA   CYS   9           HA       CYS   9   6.908  -5.898  -2.010
   57    HB2  CYS   9           HB2      CYS   9   8.145  -6.087  -4.093
   58    HB3  CYS   9           HB1      CYS   9   6.895  -7.123  -4.775
   59    H    PHE  10           HN       PHE  10   4.929  -5.314  -1.411
   60    HA   PHE  10           HA       PHE  10   2.687  -7.044  -1.765
   61    HB2  PHE  10           HB2      PHE  10   3.000  -5.608   0.229
   62    HB3  PHE  10           HB1      PHE  10   2.767  -4.182  -0.776
   63    HD1  PHE  10           HD1      PHE  10   0.673  -3.235  -0.841
   64    HD2  PHE  10           HD2      PHE  10   1.042  -7.377   0.080
   65    HE1  PHE  10           HE1      PHE  10  -1.753  -3.364  -0.456
   66    HE2  PHE  10           HE2      PHE  10  -1.381  -7.507   0.465
   67    HZ   PHE  10           HZ       PHE  10  -2.772  -5.486   0.243
   68    H    SER  11           HN       SER  11   4.068  -4.565  -3.666
   69    HA   SER  11           HA       SER  11   1.678  -3.816  -5.059
   70    HB2  SER  11           HB2      SER  11   4.542  -3.466  -5.966
   71    HB3  SER  11           HB1      SER  11   3.132  -2.568  -6.526
   72    HG   SER  11           HG       SER  11   3.870  -1.234  -5.034
   73    H    CYS  12           HN       CYS  12   4.144  -6.283  -5.455
   74    HA   CYS  12           HA       CYS  12   2.978  -6.970  -8.077
   75    HB2  CYS  12           HB2      CYS  12   5.832  -7.398  -7.189
   76    HB3  CYS  12           HB1      CYS  12   5.170  -7.735  -8.789
   77    H    GLY  13           HN       GLY  13   4.001  -8.189  -4.972
   78    HA2  GLY  13           HA2      GLY  13   3.551 -10.287  -4.050
   79    HA3  GLY  13           HA1      GLY  13   2.975 -10.828  -5.624
   80    H    ASP  14           HN       ASP  14   5.926  -9.243  -5.832
   81    HA   ASP  14           HA       ASP  14   7.376 -11.799  -5.936
   82    HB2  ASP  14           HB2      ASP  14   7.619  -9.377  -7.722
   83    HB3  ASP  14           HB1      ASP  14   8.801 -10.678  -7.702
   84    H    ALA  15           HN       ALA  15   9.696 -11.646  -5.557
   85    HA   ALA  15           HA       ALA  15  10.382  -9.409  -3.772
   86    HB1  ALA  15           HB1      ALA  15  10.193 -11.516  -2.571
   87    HB2  ALA  15           HB2      ALA  15  11.856 -10.932  -2.579
   88    HB3  ALA  15           HB3      ALA  15  11.378 -12.247  -3.653
   89    H    GLY  16           HN       GLY  16  12.661  -8.805  -3.740
   90    HA2  GLY  16           HA2      GLY  16  14.731  -9.507  -5.271
   91    HA3  GLY  16           HA1      GLY  16  13.690  -8.716  -6.447
   92    H    GLN  17           HN       GLN  17  14.004  -6.622  -6.727
   93    HA   GLN  17           HA       GLN  17  15.810  -5.148  -5.042
   94    HB2  GLN  17           HB2      GLN  17  15.754  -4.899  -7.506
   95    HB3  GLN  17           HB1      GLN  17  14.133  -4.232  -7.387
   96    HG2  GLN  17           HG2      GLN  17  15.069  -2.386  -6.007
   97    HG3  GLN  17           HG1      GLN  17  16.678  -3.023  -6.344
   98   HE21  GLN  17          HE21      GLN  17  15.526  -0.441  -7.045
   99   HE22  GLN  17          HE22      GLN  17  15.622  -0.318  -8.767
  100    H    LEU  18           HN       LEU  18  14.548  -5.236  -3.049
  101    HA   LEU  18           HA       LEU  18  12.051  -3.726  -3.093
  102    HB2  LEU  18           HB2      LEU  18  13.225  -5.495  -0.952
  103    HB3  LEU  18           HB1      LEU  18  11.678  -4.677  -0.849
  104    HG   LEU  18           HG       LEU  18  12.319  -6.716  -2.968
  105   HD11  LEU  18          HD11      LEU  18  12.437  -7.804  -0.816
  106   HD12  LEU  18          HD12      LEU  18  10.945  -8.261  -1.639
  107   HD13  LEU  18          HD13      LEU  18  10.906  -7.075  -0.338
  108   HD21  LEU  18          HD21      LEU  18   9.892  -6.782  -3.222
  109   HD22  LEU  18          HD22      LEU  18  10.547  -5.180  -3.554
  110   HD23  LEU  18          HD23      LEU  18   9.740  -5.502  -2.022
  111    H    VAL  19           HN       VAL  19  11.674  -1.965  -1.923
  112    HA   VAL  19           HA       VAL  19  13.758  -0.936  -0.125
  113    HB   VAL  19           HB       VAL  19  13.703   0.512  -2.070
  114   HG11  VAL  19          HG11      VAL  19  10.743   0.760  -1.586
  115   HG12  VAL  19          HG12      VAL  19  11.528  -0.015  -2.962
  116   HG13  VAL  19          HG13      VAL  19  11.671   1.727  -2.733
  117   HG21  VAL  19          HG21      VAL  19  13.130   2.652  -1.020
  118   HG22  VAL  19          HG22      VAL  19  14.026   1.600   0.074
  119   HG23  VAL  19          HG23      VAL  19  12.282   1.788   0.264
  120    H    SER  20           HN       SER  20  13.049  -0.540   1.917
  121    HA   SER  20           HA       SER  20  10.255  -1.234   2.402
  122    HB2  SER  20           HB2      SER  20  12.017  -2.567   3.518
  123    HB3  SER  20           HB1      SER  20  12.549  -1.119   4.367
  124    HG   SER  20           HG       SER  20   9.934  -2.223   4.532
  125    H    CYS  21           HN       CYS  21   8.948  -0.124   3.799
  126    HA   CYS  21           HA       CYS  21   9.247   2.735   3.799
  127    HB2  CYS  21           HB2      CYS  21   7.078   1.398   3.538
  128    HB3  CYS  21           HB1      CYS  21   7.185   1.089   5.268
  129    H    LYS  22           HN       LYS  22  10.499   3.723   5.286
  130    HA   LYS  22           HA       LYS  22  11.298   2.302   7.667
  131    HB2  LYS  22           HB2      LYS  22  12.076   5.030   6.624
  132    HB3  LYS  22           HB1      LYS  22  12.812   4.231   8.010
  133    HG2  LYS  22           HG2      LYS  22  13.612   2.438   6.592
  134    HG3  LYS  22           HG1      LYS  22  12.811   3.159   5.195
  135    HD2  LYS  22           HD2      LYS  22  14.236   5.138   5.404
  136    HD3  LYS  22           HD1      LYS  22  15.036   4.415   6.800
  137    HE2  LYS  22           HE2      LYS  22  16.366   4.133   4.768
  138    HE3  LYS  22           HE1      LYS  22  15.835   2.579   5.409
  139    HZ1  LYS  22           HZ1      LYS  22  15.613   2.797   2.970
  140    HZ2  LYS  22           HZ2      LYS  22  14.466   4.017   3.202
  141    HZ3  LYS  22           HZ3      LYS  22  14.152   2.444   3.744
  142    H    LYS  23           HN       LYS  23   8.584   2.931   7.605
  143    HA   LYS  23           HA       LYS  23   8.314   5.007   9.671
  144    HB2  LYS  23           HB2      LYS  23   7.052   5.309   7.495
  145    HB3  LYS  23           HB1      LYS  23   6.136   3.870   7.912
  146    HG2  LYS  23           HG2      LYS  23   5.364   4.994   9.972
  147    HG3  LYS  23           HG1      LYS  23   6.213   6.451   9.458
  148    HD2  LYS  23           HD2      LYS  23   4.836   6.394   7.357
  149    HD3  LYS  23           HD1      LYS  23   3.889   5.099   8.097
  150    HE2  LYS  23           HE2      LYS  23   2.741   7.174   8.458
  151    HE3  LYS  23           HE1      LYS  23   3.405   6.630   9.999
  152    HZ1  LYS  23           HZ1      LYS  23   4.668   8.648   8.224
  153    HZ2  LYS  23           HZ2      LYS  23   5.216   8.171   9.756
  154    HZ3  LYS  23           HZ3      LYS  23   3.756   9.007   9.607
  155    HA   PRO  24           HA       PRO  24   7.589   1.521  12.446
  156    HB2  PRO  24           HB2      PRO  24   6.362   3.716  14.045
  157    HB3  PRO  24           HB1      PRO  24   7.545   2.497  14.534
  158    HG2  PRO  24           HG2      PRO  24   8.301   5.005  14.105
  159    HG3  PRO  24           HG1      PRO  24   9.322   3.649  13.591
  160    HD2  PRO  24           HD2      PRO  24   7.553   5.420  11.944
  161    HD3  PRO  24           HD1      PRO  24   9.142   4.730  11.549
  162    H    GLY  25           HN       GLY  25   5.879   0.182  12.432
  163    HA2  GLY  25           HA2      GLY  25   3.559  -0.297  12.757
  164    HA3  GLY  25           HA1      GLY  25   3.183   1.335  12.208
  165    H    CYS  26           HN       CYS  26   5.354   0.674  10.043
  166    HA   CYS  26           HA       CYS  26   3.468  -0.653   8.204
  167    HB2  CYS  26           HB2      CYS  26   4.255   1.808   7.904
  168    HB3  CYS  26           HB1      CYS  26   5.777   1.092   7.387
  169    HA   PRO  27           HA       PRO  27   6.953  -3.567   8.228
  170    HB2  PRO  27           HB2      PRO  27   5.528  -5.817   8.156
  171    HB3  PRO  27           HB1      PRO  27   5.538  -4.818   9.617
  172    HG2  PRO  27           HG2      PRO  27   3.436  -5.094   7.515
  173    HG3  PRO  27           HG1      PRO  27   3.253  -4.869   9.268
  174    HD2  PRO  27           HD2      PRO  27   3.109  -2.854   7.287
  175    HD3  PRO  27           HD1      PRO  27   3.219  -2.608   9.044
  176    H    LYS  28           HN       LYS  28   5.391  -2.318   5.803
  177    HA   LYS  28           HA       LYS  28   5.437  -4.576   3.959
  178    HB2  LYS  28           HB2      LYS  28   3.786  -2.283   4.255
  179    HB3  LYS  28           HB1      LYS  28   4.580  -2.160   2.682
  180    HG2  LYS  28           HG2      LYS  28   2.389  -3.309   2.587
  181    HG3  LYS  28           HG1      LYS  28   3.727  -4.311   2.020
  182    HD2  LYS  28           HD2      LYS  28   3.774  -5.520   4.109
  183    HD3  LYS  28           HD1      LYS  28   2.568  -4.436   4.804
  184    HE2  LYS  28           HE2      LYS  28   0.887  -5.241   3.322
  185    HE3  LYS  28           HE1      LYS  28   2.069  -6.147   2.379
  186    HZ1  LYS  28           HZ1      LYS  28   2.442  -7.600   4.235
  187    HZ2  LYS  28           HZ2      LYS  28   0.781  -7.545   3.911
  188    HZ3  LYS  28           HZ3      LYS  28   1.412  -6.686   5.222
  189    H    VAL  29           HN       VAL  29   6.355  -4.396   1.850
  190    HA   VAL  29           HA       VAL  29   8.488  -2.436   1.522
  191    HB   VAL  29           HB       VAL  29   9.352  -4.543   2.687
  192   HG11  VAL  29          HG11      VAL  29   9.867  -6.451   1.267
  193   HG12  VAL  29          HG12      VAL  29   8.972  -5.704  -0.056
  194   HG13  VAL  29          HG13      VAL  29   8.128  -6.194   1.411
  195   HG21  VAL  29          HG21      VAL  29  11.383  -4.642   1.245
  196   HG22  VAL  29          HG22      VAL  29  10.903  -3.035   1.776
  197   HG23  VAL  29          HG23      VAL  29  10.554  -3.557   0.131
  198    H    TYR  30           HN       TYR  30   9.132  -2.194  -0.692
  199    HA   TYR  30           HA       TYR  30   7.470  -3.562  -2.689
  200    HB2  TYR  30           HB2      TYR  30   7.714  -0.554  -2.697
  201    HB3  TYR  30           HB1      TYR  30   6.605  -1.556  -3.626
  202    HD1  TYR  30           HD1      TYR  30   4.614  -2.535  -2.537
  203    HD2  TYR  30           HD2      TYR  30   7.180   0.157  -0.470
  204    HE1  TYR  30           HE1      TYR  30   2.868  -2.176  -0.849
  205    HE2  TYR  30           HE2      TYR  30   5.438   0.516   1.229
  206    HH   TYR  30           HH       TYR  30   2.742  -1.442   1.546
  207    H    HIS  31           HN       HIS  31   8.239  -2.982  -4.934
  208    HA   HIS  31           HA       HIS  31  11.127  -2.677  -5.005
  209    HB2  HIS  31           HB2      HIS  31   9.205  -2.833  -7.346
  210    HB3  HIS  31           HB1      HIS  31  10.957  -3.003  -7.414
  211    HD2  HIS  31           HD2      HIS  31  11.742  -5.347  -5.683
  212    HE1  HIS  31           HE1      HIS  31   8.295  -7.382  -7.053
  213    HE2  HIS  31           HE2      HIS  31  10.671  -7.661  -6.195
  214    H    ALA  32           HN       ALA  32  12.170  -0.842  -5.549
  215    HA   ALA  32           HA       ALA  32  10.864   1.634  -5.505
  216    HB1  ALA  32           HB1      ALA  32  13.012   2.575  -6.205
  217    HB2  ALA  32           HB2      ALA  32  13.588   0.958  -6.608
  218    HB3  ALA  32           HB3      ALA  32  13.223   1.372  -4.933
  219    H    ASP  33           HN       ASP  33  11.664  -0.566  -8.055
  220    HA   ASP  33           HA       ASP  33  11.364   1.199 -10.233
  221    HB2  ASP  33           HB2      ASP  33  12.561  -0.950 -10.399
  222    HB3  ASP  33           HB1      ASP  33  11.034  -1.804 -10.200
  223    H    CYS  34           HN       CYS  34   9.071  -1.089  -8.720
  224    HA   CYS  34           HA       CYS  34   7.038  -0.526 -10.644
  225    HB2  CYS  34           HB2      CYS  34   5.540  -1.765  -8.996
  226    HB3  CYS  34           HB1      CYS  34   6.910  -2.673  -9.623
  227    H    LEU  35           HN       LEU  35   8.017   0.920  -7.665
  228    HA   LEU  35           HA       LEU  35   5.589   2.459  -7.368
  229    HB2  LEU  35           HB2      LEU  35   8.283   2.746  -6.051
  230    HB3  LEU  35           HB1      LEU  35   6.852   3.653  -5.614
  231    HG   LEU  35           HG       LEU  35   7.160   0.664  -5.355
  232   HD11  LEU  35          HD11      LEU  35   8.583   1.727  -3.781
  233   HD12  LEU  35          HD12      LEU  35   7.126   1.235  -2.912
  234   HD13  LEU  35          HD13      LEU  35   7.349   2.919  -3.381
  235   HD21  LEU  35          HD21      LEU  35   4.965   2.535  -4.477
  236   HD22  LEU  35          HD22      LEU  35   5.091   0.836  -4.025
  237   HD23  LEU  35          HD23      LEU  35   4.844   1.284  -5.713
  238    H    ASN  36           HN       ASN  36   8.170   2.566  -9.415
  239    HA   ASN  36           HA       ASN  36   9.045   4.056 -10.870
  240    HB2  ASN  36           HB2      ASN  36   6.529   4.416 -11.250
  241    HB3  ASN  36           HB1      ASN  36   6.710   5.868 -10.275
  242   HD21  ASN  36          HD21      ASN  36   7.553   4.300 -13.263
  243   HD22  ASN  36          HD22      ASN  36   8.068   5.723 -14.098
  244    H    LEU  37           HN       LEU  37  10.012   4.132  -8.274
  245    HA   LEU  37           HA       LEU  37  10.219   6.843  -7.365
  246    HB2  LEU  37           HB2      LEU  37  11.781   4.368  -6.645
  247    HB3  LEU  37           HB1      LEU  37  12.018   5.925  -5.879
  248    HG   LEU  37           HG       LEU  37   9.511   4.247  -5.775
  249   HD11  LEU  37          HD11      LEU  37  11.383   3.430  -4.395
  250   HD12  LEU  37          HD12      LEU  37  10.023   3.999  -3.427
  251   HD13  LEU  37          HD13      LEU  37  11.459   5.004  -3.607
  252   HD21  LEU  37          HD21      LEU  37  10.101   6.918  -4.507
  253   HD22  LEU  37          HD22      LEU  37   8.670   5.931  -4.215
  254   HD23  LEU  37          HD23      LEU  37   8.953   6.618  -5.813
  255    H    THR  38           HN       THR  38  11.063   8.128  -8.955
  256    HA   THR  38           HA       THR  38  13.385   7.486 -10.452
  257    HB   THR  38           HB       THR  38  12.335  10.258  -9.867
  258    HG1  THR  38           HG1      THR  38  11.335   8.184 -11.494
  259   HG21  THR  38          HG21      THR  38  14.507  10.139 -11.011
  260   HG22  THR  38          HG22      THR  38  13.251  10.786 -12.065
  261   HG23  THR  38          HG23      THR  38  13.789   9.117 -12.257
  262    H    LYS  39           HN       LYS  39  12.802   9.399  -7.541
  263    HA   LYS  39           HA       LYS  39  15.706   9.569  -7.102
  264    HB2  LYS  39           HB2      LYS  39  13.488  11.321  -6.013
  265    HB3  LYS  39           HB1      LYS  39  15.190  11.481  -5.607
  266    HG2  LYS  39           HG2      LYS  39  14.124  11.743  -8.409
  267    HG3  LYS  39           HG1      LYS  39  14.347  13.106  -7.310
  268    HD2  LYS  39           HD2      LYS  39  16.731  12.572  -7.141
  269    HD3  LYS  39           HD1      LYS  39  16.503  11.207  -8.235
  270    HE2  LYS  39           HE2      LYS  39  15.824  12.720 -10.014
  271    HE3  LYS  39           HE1      LYS  39  15.980  14.097  -8.924
  272    HZ1  LYS  39           HZ1      LYS  39  17.904  13.811 -10.398
  273    HZ2  LYS  39           HZ2      LYS  39  18.213  12.302  -9.699
  274    HZ3  LYS  39           HZ3      LYS  39  18.330  13.707  -8.764
  275    H    ARG  40           HN       ARG  40  16.468   8.286  -5.546
  276    HA   ARG  40           HA       ARG  40  14.794   6.728  -3.891
  277    HB2  ARG  40           HB2      ARG  40  17.016   5.965  -4.534
  278    HB3  ARG  40           HB1      ARG  40  17.752   7.309  -3.675
  279    HG2  ARG  40           HG2      ARG  40  17.029   6.426  -1.561
  280    HG3  ARG  40           HG1      ARG  40  16.120   5.145  -2.365
  281    HD2  ARG  40           HD2      ARG  40  19.106   5.510  -2.561
  282    HD3  ARG  40           HD1      ARG  40  18.304   4.391  -1.459
  283    HE   ARG  40           HE       ARG  40  17.318   3.721  -3.903
  284   HH11  ARG  40          HH11      ARG  40  20.552   4.075  -2.619
  285   HH12  ARG  40          HH12      ARG  40  21.234   2.853  -3.646
  286   HH21  ARG  40          HH21      ARG  40  18.203   2.103  -5.246
  287   HH22  ARG  40          HH22      ARG  40  19.894   1.730  -5.138
  288    HA   PRO  41           HA       PRO  41  13.912   9.948  -0.930
  289    HB2  PRO  41           HB2      PRO  41  12.491   8.404   0.799
  290    HB3  PRO  41           HB1      PRO  41  11.824   9.021  -0.715
  291    HG2  PRO  41           HG2      PRO  41  12.960   6.318  -0.105
  292    HG3  PRO  41           HG1      PRO  41  11.488   6.737  -1.008
  293    HD2  PRO  41           HD2      PRO  41  13.782   6.078  -2.262
  294    HD3  PRO  41           HD1      PRO  41  12.672   7.295  -2.929
  295    H    ALA  42           HN       ALA  42  14.875  10.662   0.893
  296    HA   ALA  42           HA       ALA  42  16.514   8.740   2.410
  297    HB1  ALA  42           HB1      ALA  42  17.117  11.639   1.827
  298    HB2  ALA  42           HB2      ALA  42  17.906  10.245   1.088
  299    HB3  ALA  42           HB3      ALA  42  18.104  10.559   2.811
  300    H    GLY  43           HN       GLY  43  16.131   8.639   4.556
  301    HA2  GLY  43           HA2      GLY  43  15.653   9.549   6.683
  302    HA3  GLY  43           HA1      GLY  43  14.911  10.934   5.898
  303    H    LYS  44           HN       LYS  44  12.915  10.979   6.695
  304    HA   LYS  44           HA       LYS  44  11.399   8.572   7.138
  305    HB2  LYS  44           HB2      LYS  44  10.543  11.468   7.291
  306    HB3  LYS  44           HB1      LYS  44   9.619  10.091   7.873
  307    HG2  LYS  44           HG2      LYS  44  11.369   9.604   9.505
  308    HG3  LYS  44           HG1      LYS  44  12.292  10.994   8.927
  309    HD2  LYS  44           HD2      LYS  44  10.441  12.475   9.563
  310    HD3  LYS  44           HD1      LYS  44   9.537  11.083  10.157
  311    HE2  LYS  44           HE2      LYS  44  12.176  12.088  11.216
  312    HE3  LYS  44           HE1      LYS  44  10.605  12.260  11.997
  313    HZ1  LYS  44           HZ1      LYS  44  10.480   9.836  12.150
  314    HZ2  LYS  44           HZ2      LYS  44  11.830  10.440  12.965
  315    HZ3  LYS  44           HZ3      LYS  44  12.017   9.703  11.455
  316    H    TRP  45           HN       TRP  45  10.558   7.533   5.471
  317    HA   TRP  45           HA       TRP  45   9.488   9.098   3.241
  318    HB2  TRP  45           HB2      TRP  45  11.325   7.718   2.508
  319    HB3  TRP  45           HB1      TRP  45  10.619   6.301   3.277
  320    HD1  TRP  45           HD1      TRP  45   9.348   8.847   0.617
  321    HE1  TRP  45           HE1      TRP  45   8.229   7.519  -1.273
  322    HE3  TRP  45           HE3      TRP  45  10.036   4.117   2.435
  323    HZ2  TRP  45           HZ2      TRP  45   7.710   4.824  -1.916
  324    HZ3  TRP  45           HZ3      TRP  45   9.200   2.215   1.112
  325    HH2  TRP  45           HH2      TRP  45   8.060   2.563  -1.015
  326    H    GLU  46           HN       GLU  46   7.373   9.076   2.948
  327    HA   GLU  46           HA       GLU  46   5.728   7.108   4.354
  328    HB2  GLU  46           HB2      GLU  46   4.855   9.505   2.726
  329    HB3  GLU  46           HB1      GLU  46   3.857   8.555   3.814
  330    HG2  GLU  46           HG2      GLU  46   6.241  10.145   4.716
  331    HG3  GLU  46           HG1      GLU  46   4.598  10.780   4.681
  332    H    CYS  47           HN       CYS  47   5.635   5.218   3.164
  333    HA   CYS  47           HA       CYS  47   5.680   5.014   0.378
  334    HB2  CYS  47           HB2      CYS  47   4.932   2.761   0.618
  335    HB3  CYS  47           HB1      CYS  47   5.923   3.097   2.030
  336    HA   PRO  48           HA       PRO  48   1.810   6.556  -1.024
  337    HB2  PRO  48           HB2      PRO  48   1.263   4.815  -3.083
  338    HB3  PRO  48           HB1      PRO  48   2.408   6.161  -3.191
  339    HG2  PRO  48           HG2      PRO  48   2.930   3.259  -2.691
  340    HG3  PRO  48           HG1      PRO  48   3.825   4.401  -3.713
  341    HD2  PRO  48           HD2      PRO  48   4.710   3.689  -1.276
  342    HD3  PRO  48           HD1      PRO  48   4.946   5.333  -1.902
  343    H    TRP  49           HN       TRP  49   2.071   3.542   0.413
  344    HA   TRP  49           HA       TRP  49  -0.699   2.761   0.174
  345    HB2  TRP  49           HB2      TRP  49   1.346   1.211   0.521
  346    HB3  TRP  49           HB1      TRP  49   1.268   1.715   2.211
  347    HD1  TRP  49           HD1      TRP  49  -1.726   0.752  -0.071
  348    HE1  TRP  49           HE1      TRP  49  -2.948  -1.240   1.017
  349    HE3  TRP  49           HE3      TRP  49   1.394  -0.039   3.912
  350    HZ2  TRP  49           HZ2      TRP  49  -2.641  -2.900   3.273
  351    HZ3  TRP  49           HZ3      TRP  49   0.852  -1.841   5.489
  352    HH2  TRP  49           HH2      TRP  49  -1.122  -3.247   5.173
  353    H    HIS  50           HN       HIS  50   0.985   5.068   1.931
  354    HA   HIS  50           HA       HIS  50  -1.124   5.204   3.982
  355    HB2  HIS  50           HB2      HIS  50   1.325   6.968   3.727
  356    HB3  HIS  50           HB1      HIS  50   0.224   6.865   5.099
  357    HD1  HIS  50           HD1      HIS  50   0.263   3.697   5.350
  358    HD2  HIS  50           HD2      HIS  50   3.559   6.194   4.949
  359    HE1  HIS  50           HE1      HIS  50   2.228   2.452   6.344
  360    H    GLN  51           HN       GLN  51  -0.745   6.095   0.911
  361    HA   GLN  51           HA       GLN  51  -1.803   8.808   1.302
  362    HB2  GLN  51           HB2      GLN  51  -0.149   7.794  -1.017
  363    HB3  GLN  51           HB1      GLN  51  -0.798   9.418  -0.850
  364    HG2  GLN  51           HG2      GLN  51   1.121   8.188   1.101
  365    HG3  GLN  51           HG1      GLN  51   1.618   9.169  -0.273
  366   HE21  GLN  51          HE21      GLN  51  -0.037   9.185   2.820
  367   HE22  GLN  51          HE22      GLN  51   0.052  10.894   3.061
  368    H    CYS  52           HN       CYS  52  -3.639   9.339   0.356
  369    HA   CYS  52           HA       CYS  52  -5.344   7.358  -0.694
  370    HB2  CYS  52           HB2      CYS  52  -6.188   9.366   0.425
  371    HB3  CYS  52           HB1      CYS  52  -5.524  10.374  -0.853
  372    H    ASP  53           HN       ASP  53  -5.288   6.473  -2.620
  373    HA   ASP  53           HA       ASP  53  -3.538   7.194  -4.671
  374    HB2  ASP  53           HB2      ASP  53  -4.537   4.939  -4.400
  375    HB3  ASP  53           HB1      ASP  53  -6.097   5.580  -4.908
  376    H    VAL  54           HN       VAL  54  -6.604   8.481  -3.854
  377    HA   VAL  54           HA       VAL  54  -7.128   9.508  -6.517
  378    HB   VAL  54           HB       VAL  54  -8.694   9.912  -3.965
  379   HG11  VAL  54          HG11      VAL  54 -10.504  10.626  -5.451
  380   HG12  VAL  54          HG12      VAL  54  -9.410  10.499  -6.831
  381   HG13  VAL  54          HG13      VAL  54  -9.098  11.687  -5.565
  382   HG21  VAL  54          HG21      VAL  54  -8.668   7.574  -4.620
  383   HG22  VAL  54          HG22      VAL  54  -9.141   8.013  -6.262
  384   HG23  VAL  54          HG23      VAL  54 -10.257   8.279  -4.922
  385    H    CYS  55           HN       CYS  55  -6.472  10.887  -3.254
  386    HA   CYS  55           HA       CYS  55  -6.024  13.449  -4.639
  387    HB2  CYS  55           HB2      CYS  55  -7.038  14.650  -2.831
  388    HB3  CYS  55           HB1      CYS  55  -8.149  13.399  -3.381
  389    H    GLY  56           HN       GLY  56  -4.373  11.153  -2.962
  390    HA2  GLY  56           HA2      GLY  56  -2.178  11.248  -2.249
  391    HA3  GLY  56           HA1      GLY  56  -2.207  12.983  -2.517
  392    H    LYS  57           HN       LYS  57  -4.748  12.820  -0.609
  393    HA   LYS  57           HA       LYS  57  -3.442  13.678   1.726
  394    HB2  LYS  57           HB2      LYS  57  -6.248  12.698   1.243
  395    HB3  LYS  57           HB1      LYS  57  -5.704  13.219   2.830
  396    HG2  LYS  57           HG2      LYS  57  -5.150  15.433   1.851
  397    HG3  LYS  57           HG1      LYS  57  -5.860  14.885   0.328
  398    HD2  LYS  57           HD2      LYS  57  -8.001  14.552   1.404
  399    HD3  LYS  57           HD1      LYS  57  -7.308  14.959   2.973
  400    HE2  LYS  57           HE2      LYS  57  -6.808  17.226   2.117
  401    HE3  LYS  57           HE1      LYS  57  -7.604  16.800   0.604
  402    HZ1  LYS  57           HZ1      LYS  57  -8.887  16.864   3.281
  403    HZ2  LYS  57           HZ2      LYS  57  -9.658  16.425   1.841
  404    HZ3  LYS  57           HZ3      LYS  57  -9.097  18.008   2.054
  405    H    GLU  58           HN       GLU  58  -3.581  12.654   3.888
  406    HA   GLU  58           HA       GLU  58  -2.446  10.109   3.960
  407    HB2  GLU  58           HB2      GLU  58  -2.204  11.675   5.820
  408    HB3  GLU  58           HB1      GLU  58  -3.930  11.585   6.145
  409    HG2  GLU  58           HG2      GLU  58  -3.713   9.229   6.722
  410    HG3  GLU  58           HG1      GLU  58  -1.989   9.294   6.363
  411    H    ALA  59           HN       ALA  59  -3.271   8.194   3.699
  412    HA   ALA  59           HA       ALA  59  -6.071   7.825   3.275
  413    HB1  ALA  59           HB1      ALA  59  -5.431   5.460   2.927
  414    HB2  ALA  59           HB2      ALA  59  -3.774   5.883   3.367
  415    HB3  ALA  59           HB3      ALA  59  -4.518   6.595   1.934
  416    H    ALA  60           HN       ALA  60  -7.551   6.886   4.565
  417    HA   ALA  60           HA       ALA  60  -6.749   6.349   7.331
  418    HB1  ALA  60           HB1      ALA  60  -9.501   6.820   6.182
  419    HB2  ALA  60           HB2      ALA  60  -8.503   8.026   6.997
  420    HB3  ALA  60           HB3      ALA  60  -9.102   6.630   7.891
  421    H    SER  61           HN       SER  61  -8.306   4.950   4.530
  422    HA   SER  61           HA       SER  61  -8.201   2.343   5.875
  423    HB2  SER  61           HB2      SER  61 -10.090   1.673   4.370
  424    HB3  SER  61           HB1      SER  61 -10.523   2.928   5.526
  425    HG   SER  61           HG       SER  61  -9.606   3.644   2.971
  426    H    PHE  62           HN       PHE  62  -7.127   0.748   4.821
  427    HA   PHE  62           HA       PHE  62  -5.748   1.575   2.346
  428    HB2  PHE  62           HB2      PHE  62  -4.706  -0.502   4.266
  429    HB3  PHE  62           HB1      PHE  62  -3.800   0.490   3.118
  430    HD1  PHE  62           HD1      PHE  62  -4.428   0.010   6.494
  431    HD2  PHE  62           HD2      PHE  62  -4.107   3.124   3.613
  432    HE1  PHE  62           HE1      PHE  62  -3.884   1.605   8.282
  433    HE2  PHE  62           HE2      PHE  62  -3.566   4.722   5.400
  434    HZ   PHE  62           HZ       PHE  62  -3.518   3.932   7.784
  435    H    CYS  63           HN       CYS  63  -5.891   0.230   0.569
  436    HA   CYS  63           HA       CYS  63  -7.563  -2.076   0.683
  437    HB2  CYS  63           HB2      CYS  63  -7.206  -0.677  -1.402
  438    HB3  CYS  63           HB1      CYS  63  -5.615  -1.424  -1.537
  439    H    GLU  64           HN       GLU  64  -7.051  -4.046   1.287
  440    HA   GLU  64           HA       GLU  64  -4.298  -4.591   2.047
  441    HB2  GLU  64           HB2      GLU  64  -6.847  -6.146   2.475
  442    HB3  GLU  64           HB1      GLU  64  -5.278  -6.623   3.099
  443    HG2  GLU  64           HG2      GLU  64  -5.191  -4.595   4.451
  444    HG3  GLU  64           HG1      GLU  64  -6.748  -4.089   3.798
  445    H    MET  65           HN       MET  65  -5.413  -4.600  -0.802
  446    HA   MET  65           HA       MET  65  -4.176  -7.169  -1.531
  447    HB2  MET  65           HB2      MET  65  -6.584  -5.901  -2.851
  448    HB3  MET  65           HB1      MET  65  -5.720  -7.314  -3.460
  449    HG2  MET  65           HG2      MET  65  -6.346  -8.592  -1.519
  450    HG3  MET  65           HG1      MET  65  -7.101  -7.176  -0.787
  451    HE1  MET  65           HE1      MET  65  -8.485 -10.086  -1.247
  452    HE2  MET  65           HE2      MET  65 -10.106  -9.574  -1.719
  453    HE3  MET  65           HE3      MET  65  -9.267  -8.749  -0.406
  454    H    CYS  66           HN       CYS  66  -3.983  -3.835  -1.769
  455    HA   CYS  66           HA       CYS  66  -1.905  -3.971  -3.702
  456    HB2  CYS  66           HB2      CYS  66  -2.864  -2.768  -5.513
  457    HB3  CYS  66           HB1      CYS  66  -4.040  -4.013  -5.115
  458    HA   PRO  67           HA       PRO  67  -0.670  -0.296  -1.611
  459    HB2  PRO  67           HB2      PRO  67   0.242   0.948  -4.123
  460    HB3  PRO  67           HB1      PRO  67   1.185   0.426  -2.723
  461    HG2  PRO  67           HG2      PRO  67   1.298  -0.911  -5.029
  462    HG3  PRO  67           HG1      PRO  67   1.330  -1.759  -3.469
  463    HD2  PRO  67           HD2      PRO  67  -0.993  -1.357  -5.347
  464    HD3  PRO  67           HD1      PRO  67  -0.464  -2.844  -4.517
  465    H    SER  68           HN       SER  68  -3.299  -0.150  -3.559
  466    HA   SER  68           HA       SER  68  -3.520   2.744  -3.689
  467    HB2  SER  68           HB2      SER  68  -5.519   0.598  -4.450
  468    HB3  SER  68           HB1      SER  68  -5.690   2.324  -4.769
  469    HG   SER  68           HG       SER  68  -3.319   1.253  -5.649
  470    H    SER  69           HN       SER  69  -3.620   3.450  -1.603
  471    HA   SER  69           HA       SER  69  -5.818   2.479   0.067
  472    HB2  SER  69           HB2      SER  69  -4.659   4.010   1.785
  473    HB3  SER  69           HB1      SER  69  -3.802   2.542   1.309
  474    HG   SER  69           HG       SER  69  -3.357   4.988  -0.042
  475    H    PHE  70           HN       PHE  70  -7.127   4.209   1.225
  476    HA   PHE  70           HA       PHE  70  -7.493   6.553  -0.515
  477    HB2  PHE  70           HB2      PHE  70  -9.713   4.737   0.454
  478    HB3  PHE  70           HB1      PHE  70  -9.927   6.226  -0.469
  479    HD1  PHE  70           HD1      PHE  70  -9.009   6.330  -2.813
  480    HD2  PHE  70           HD2      PHE  70  -9.321   2.701  -0.614
  481    HE1  PHE  70           HE1      PHE  70  -8.857   5.051  -4.909
  482    HE2  PHE  70           HE2      PHE  70  -9.168   1.415  -2.706
  483    HZ   PHE  70           HZ       PHE  70  -8.935   2.589  -4.856
  484    H    CYS  71           HN       CYS  71  -8.405   8.358   0.455
  485    HA   CYS  71           HA       CYS  71  -8.021   8.577   3.300
  486    HB2  CYS  71           HB2      CYS  71  -8.493  10.920   3.011
  487    HB3  CYS  71           HB1      CYS  71  -7.485  10.412   1.658
  488    H    LYS  72           HN       LYS  72  -9.845   9.861   4.524
  489    HA   LYS  72           HA       LYS  72 -12.066   8.182   4.772
  490    HB2  LYS  72           HB2      LYS  72 -11.695  11.043   5.646
  491    HB3  LYS  72           HB1      LYS  72 -13.042  10.026   6.140
  492    HG2  LYS  72           HG2      LYS  72 -11.500   8.469   7.194
  493    HG3  LYS  72           HG1      LYS  72 -10.137   9.453   6.670
  494    HD2  LYS  72           HD2      LYS  72 -10.984  11.319   8.017
  495    HD3  LYS  72           HD1      LYS  72 -12.325  10.305   8.556
  496    HE2  LYS  72           HE2      LYS  72 -10.724   8.735   9.546
  497    HE3  LYS  72           HE1      LYS  72  -9.395   9.769   9.024
  498    HZ1  LYS  72           HZ1      LYS  72 -10.223  11.519  10.439
  499    HZ2  LYS  72           HZ2      LYS  72  -9.981  10.117  11.352
  500    HZ3  LYS  72           HZ3      LYS  72 -11.544  10.572  10.905
  501    H    GLN  73           HN       GLN  73 -11.547  10.993   2.781
  502    HA   GLN  73           HA       GLN  73 -14.270  11.421   2.064
  503    HB2  GLN  73           HB2      GLN  73 -11.709  12.248   0.702
  504    HB3  GLN  73           HB1      GLN  73 -13.305  12.819   0.243
  505    HG2  GLN  73           HG2      GLN  73 -13.569  13.890   2.405
  506    HG3  GLN  73           HG1      GLN  73 -12.007  13.256   2.928
  507   HE21  GLN  73          HE21      GLN  73 -13.630  15.547   0.874
  508   HE22  GLN  73          HE22      GLN  73 -12.241  16.522   0.532
  509    H    HIS  74           HN       HIS  74 -11.577   9.665   0.588
  510    HA   HIS  74           HA       HIS  74 -13.343   8.971  -1.650
  511    HB2  HIS  74           HB2      HIS  74 -10.322   8.962  -1.472
  512    HB3  HIS  74           HB1      HIS  74 -11.248   8.446  -2.887
  513    HD2  HIS  74           HD2      HIS  74 -13.359  10.846  -3.088
  514    HE1  HIS  74           HE1      HIS  74  -9.963  13.360  -3.068
  515    HE2  HIS  74           HE2      HIS  74 -12.470  13.258  -3.438
  516    H    ARG  75           HN       ARG  75 -12.758   7.589   1.132
  517    HA   ARG  75           HA       ARG  75 -12.131   4.922   0.212
  518    HB2  ARG  75           HB2      ARG  75 -12.420   4.216   2.483
  519    HB3  ARG  75           HB1      ARG  75 -11.537   5.736   2.513
  520    HG2  ARG  75           HG2      ARG  75 -13.574   6.925   3.088
  521    HG3  ARG  75           HG1      ARG  75 -14.485   5.420   3.015
  522    HD2  ARG  75           HD2      ARG  75 -13.096   4.523   4.842
  523    HD3  ARG  75           HD1      ARG  75 -12.260   6.070   4.948
  524    HE   ARG  75           HE       ARG  75 -15.136   6.254   5.161
  525   HH11  ARG  75          HH11      ARG  75 -12.170   5.727   6.964
  526   HH12  ARG  75          HH12      ARG  75 -12.821   6.341   8.450
  527   HH21  ARG  75          HH21      ARG  75 -15.990   7.035   7.129
  528   HH22  ARG  75          HH22      ARG  75 -14.988   7.083   8.546
  529    H    GLU  76           HN       GLU  76 -14.923   6.877   0.691
  530    HA   GLU  76           HA       GLU  76 -16.794   4.819   1.157
  531    HB2  GLU  76           HB2      GLU  76 -17.229   7.599   0.079
  532    HB3  GLU  76           HB1      GLU  76 -18.483   6.539   0.701
  533    HG2  GLU  76           HG2      GLU  76 -16.221   7.790   2.228
  534    HG3  GLU  76           HG1      GLU  76 -17.941   8.135   2.381
  535    H    GLY  77           HN       GLY  77 -17.629   3.398  -0.214
  536    HA2  GLY  77           HA2      GLY  77 -18.461   2.490  -2.156
  537    HA3  GLY  77           HA1      GLY  77 -18.354   4.086  -2.887
  538    H    MET  78           HN       MET  78 -15.340   3.703  -1.843
  539    HA   MET  78           HA       MET  78 -14.502   2.564  -4.417
  540    HB2  MET  78           HB2      MET  78 -12.934   4.323  -2.511
  541    HB3  MET  78           HB1      MET  78 -12.378   3.752  -4.080
  542    HG2  MET  78           HG2      MET  78 -14.676   5.637  -3.564
  543    HG3  MET  78           HG1      MET  78 -13.106   6.046  -4.257
  544    HE1  MET  78           HE1      MET  78 -15.585   6.480  -7.266
  545    HE2  MET  78           HE2      MET  78 -14.392   7.266  -6.232
  546    HE3  MET  78           HE3      MET  78 -15.955   6.791  -5.570
  547    H    LEU  79           HN       LEU  79 -14.034   2.317  -0.945
  548    HA   LEU  79           HA       LEU  79 -12.568  -0.197  -1.409
  549    HB2  LEU  79           HB2      LEU  79 -11.334   1.754  -0.282
  550    HB3  LEU  79           HB1      LEU  79 -12.413   1.504   1.079
  551    HG   LEU  79           HG       LEU  79 -11.533  -0.811   1.304
  552   HD11  LEU  79          HD11      LEU  79  -9.442  -1.371   0.141
  553   HD12  LEU  79          HD12      LEU  79  -9.604   0.096  -0.825
  554   HD13  LEU  79          HD13      LEU  79 -10.797  -1.192  -0.970
  555   HD21  LEU  79          HD21      LEU  79 -10.635   0.928   2.689
  556   HD22  LEU  79          HD22      LEU  79  -9.550   1.452   1.403
  557   HD23  LEU  79          HD23      LEU  79  -9.313  -0.117   2.170
  558    H    PHE  80           HN       PHE  80 -13.303  -1.997  -0.315
  559    HA   PHE  80           HA       PHE  80 -15.456  -1.728   1.626
  560    HB2  PHE  80           HB2      PHE  80 -16.885  -3.345   0.346
  561    HB3  PHE  80           HB1      PHE  80 -16.704  -1.787  -0.444
  562    HD1  PHE  80           HD1      PHE  80 -15.660  -1.600  -2.594
  563    HD2  PHE  80           HD2      PHE  80 -15.687  -5.331  -0.527
  564    HE1  PHE  80           HE1      PHE  80 -14.911  -2.741  -4.633
  565    HE2  PHE  80           HE2      PHE  80 -14.937  -6.465  -2.574
  566    HZ   PHE  80           HZ       PHE  80 -14.547  -5.171  -4.630
  567    H    ILE  81           HN       ILE  81 -16.005  -3.867   2.594
  568    HA   ILE  81           HA       ILE  81 -13.589  -5.390   3.041
  569    HB   ILE  81           HB       ILE  81 -16.353  -5.603   4.223
  570   HG12  ILE  81          HG12      ILE  81 -14.931  -3.686   4.931
  571   HG13  ILE  81          HG11      ILE  81 -15.315  -4.788   6.248
  572   HG21  ILE  81          HG21      ILE  81 -13.921  -7.277   4.809
  573   HG22  ILE  81          HG22      ILE  81 -15.458  -7.832   4.147
  574   HG23  ILE  81          HG23      ILE  81 -15.375  -7.236   5.805
  575   HD11  ILE  81          HD11      ILE  81 -13.024  -4.108   6.406
  576   HD12  ILE  81          HD12      ILE  81 -12.715  -4.614   4.747
  577   HD13  ILE  81          HD13      ILE  81 -13.091  -5.818   5.979
  578    H    SER  82           HN       SER  82 -13.052  -7.204   2.070
  579    HA   SER  82           HA       SER  82 -14.598  -8.376   0.018
  580    HB2  SER  82           HB2      SER  82 -12.197  -8.572  -0.046
  581    HB3  SER  82           HB1      SER  82 -12.168  -9.362   1.529
  582    HG   SER  82           HG       SER  82 -12.929 -10.373  -0.978
  583    H    LYS  83           HN       LYS  83 -16.230  -9.769   0.167
  584    HA   LYS  83           HA       LYS  83 -17.025 -10.900   2.667
  585    HB2  LYS  83           HB2      LYS  83 -17.985 -11.437  -0.150
  586    HB3  LYS  83           HB1      LYS  83 -18.725 -12.110   1.295
  587    HG2  LYS  83           HG2      LYS  83 -20.081 -10.300   0.788
  588    HG3  LYS  83           HG1      LYS  83 -19.012  -9.673   2.041
  589    HD2  LYS  83           HD2      LYS  83 -17.625  -8.600   0.351
  590    HD3  LYS  83           HD1      LYS  83 -18.633  -9.275  -0.928
  591    HE2  LYS  83           HE2      LYS  83 -19.531  -7.326   1.196
  592    HE3  LYS  83           HE1      LYS  83 -19.187  -6.934  -0.489
  593    HZ1  LYS  83           HZ1      LYS  83 -20.983  -8.432  -1.147
  594    HZ2  LYS  83           HZ2      LYS  83 -21.549  -7.193  -0.143
  595    HZ3  LYS  83           HZ3      LYS  83 -21.330  -8.747   0.478
  596    H    LEU  84           HN       LEU  84 -14.915 -11.808   0.158
  597    HA   LEU  84           HA       LEU  84 -15.009 -14.643   0.706
  598    HB2  LEU  84           HB2      LEU  84 -13.133 -13.037  -1.018
  599    HB3  LEU  84           HB1      LEU  84 -13.248 -14.786  -0.988
  600    HG   LEU  84           HG       LEU  84 -15.457 -12.928  -1.876
  601   HD11  LEU  84          HD11      LEU  84 -14.937 -13.756  -4.130
  602   HD12  LEU  84          HD12      LEU  84 -13.540 -14.613  -3.479
  603   HD13  LEU  84          HD13      LEU  84 -13.598 -12.851  -3.424
  604   HD21  LEU  84          HD21      LEU  84 -16.321 -15.010  -0.984
  605   HD22  LEU  84          HD22      LEU  84 -15.202 -15.931  -1.986
  606   HD23  LEU  84          HD23      LEU  84 -16.489 -14.988  -2.738
  607    H    ASP  85           HN       ASP  85 -12.579 -12.050   0.988
  608    HA   ASP  85           HA       ASP  85 -10.946 -13.864   2.625
  609    HB2  ASP  85           HB2      ASP  85 -10.179 -11.351   1.134
  610    HB3  ASP  85           HB1      ASP  85  -9.078 -12.303   2.123
  611    H    GLY  86           HN       GLY  86 -12.857 -11.052   2.868
  612    HA2  GLY  86           HA2      GLY  86 -13.390  -9.845   4.782
  613    HA3  GLY  86           HA1      GLY  86 -12.103 -10.679   5.640
  614    H    ARG  87           HN       ARG  87 -10.436  -9.866   3.147
  615    HA   ARG  87           HA       ARG  87  -9.158  -7.649   4.361
  616    HB2  ARG  87           HB2      ARG  87  -8.900  -8.930   1.646
  617    HB3  ARG  87           HB1      ARG  87  -7.921  -7.561   2.134
  618    HG2  ARG  87           HG2      ARG  87  -7.157  -8.957   4.090
  619    HG3  ARG  87           HG1      ARG  87  -7.944 -10.326   3.300
  620    HD2  ARG  87           HD2      ARG  87  -6.556  -9.958   1.309
  621    HD3  ARG  87           HD1      ARG  87  -5.762  -8.609   2.121
  622    HE   ARG  87           HE       ARG  87  -5.637 -11.186   3.461
  623   HH11  ARG  87          HH11      ARG  87  -4.020  -8.826   1.423
  624   HH12  ARG  87          HH12      ARG  87  -2.446  -9.521   1.666
  625   HH21  ARG  87          HH21      ARG  87  -3.562 -12.078   3.784
  626   HH22  ARG  87          HH22      ARG  87  -2.187 -11.361   3.007
  627    H    LEU  88           HN       LEU  88  -9.159  -5.490   3.819
  628    HA   LEU  88           HA       LEU  88 -11.391  -4.369   2.494
  629    HB2  LEU  88           HB2      LEU  88  -8.695  -3.273   3.261
  630    HB3  LEU  88           HB1      LEU  88  -9.877  -2.303   2.413
  631    HG   LEU  88           HG       LEU  88 -10.584  -3.634   5.001
  632   HD11  LEU  88          HD11      LEU  88  -9.923  -1.583   6.159
  633   HD12  LEU  88          HD12      LEU  88  -9.252  -0.951   4.655
  634   HD13  LEU  88          HD13      LEU  88  -8.534  -2.373   5.411
  635   HD21  LEU  88          HD21      LEU  88 -11.539  -1.120   3.628
  636   HD22  LEU  88          HD22      LEU  88 -12.167  -1.780   5.139
  637   HD23  LEU  88          HD23      LEU  88 -12.381  -2.670   3.632
  638    H    SER  89           HN       SER  89 -11.804  -4.346   0.399
  639    HA   SER  89           HA       SER  89  -9.538  -4.590  -1.464
  640    HB2  SER  89           HB2      SER  89 -10.859  -6.697  -1.239
  641    HB3  SER  89           HB1      SER  89 -12.285  -5.825  -1.802
  642    HG   SER  89           HG       SER  89 -10.089  -6.752  -3.209
  643    H    CYS  90           HN       CYS  90  -9.521  -3.225  -3.161
  644    HA   CYS  90           HA       CYS  90 -11.451  -1.065  -3.128
  645    HB2  CYS  90           HB2      CYS  90  -9.927   0.091  -4.619
  646    HB3  CYS  90           HB1      CYS  90  -8.999  -0.616  -3.296
  647    H    THR  91           HN       THR  91 -12.259  -0.219  -5.250
  648    HA   THR  91           HA       THR  91 -13.839  -2.150  -6.543
  649    HB   THR  91           HB       THR  91 -14.300  -0.254  -8.173
  650    HG1  THR  91           HG1      THR  91 -12.312   0.872  -7.875
  651   HG21  THR  91          HG21      THR  91 -15.520   1.081  -6.479
  652   HG22  THR  91          HG22      THR  91 -14.653   0.212  -5.212
  653   HG23  THR  91          HG23      THR  91 -15.752  -0.655  -6.284
  654    H    GLU  92           HN       GLU  92 -10.600  -1.435  -7.014
  655    HA   GLU  92           HA       GLU  92 -10.523  -1.767  -9.867
  656    HB2  GLU  92           HB2      GLU  92  -8.198  -1.913  -7.946
  657    HB3  GLU  92           HB1      GLU  92  -8.146  -1.551  -9.664
  658    HG2  GLU  92           HG2      GLU  92  -9.287   0.189  -7.487
  659    HG3  GLU  92           HG1      GLU  92  -7.801   0.464  -8.390
  660    H    HIS  93           HN       HIS  93 -10.959  -3.856  -7.332
  661    HA   HIS  93           HA       HIS  93  -9.683  -6.098  -8.758
  662    HB2  HIS  93           HB2      HIS  93 -10.541  -6.047  -5.858
  663    HB3  HIS  93           HB1      HIS  93  -9.617  -7.307  -6.662
  664    HD1  HIS  93           HD1      HIS  93  -7.744  -4.865  -8.021
  665    HD2  HIS  93           HD2      HIS  93  -8.445  -5.831  -4.045
  666    HE1  HIS  93           HE1      HIS  93  -5.831  -3.866  -6.697
  667    H    ASP  94           HN       ASP  94 -11.861  -5.517  -9.965
  668    HA   ASP  94           HA       ASP  94 -14.080  -6.977  -8.730
  669    HB2  ASP  94           HB2      ASP  94 -14.543  -4.673  -9.500
  670    HB3  ASP  94           HB1      ASP  94 -14.103  -5.149 -11.135
  Start of MODEL    9
    1    H1   GLY   1           HT1      GLY   1   9.164 -11.930  15.099
    2    H2   GLY   1           HT2      GLY   1  10.050 -12.493  13.772
    3    H3   GLY   1           HT3      GLY   1   8.381 -12.757  13.849
    4    HA2  GLY   1           HA1      GLY   1   7.955 -10.397  13.683
    5    HA3  GLY   1           HA2      GLY   1   9.687 -10.103  13.637
    6    H    ALA   2           HN       ALA   2   7.207 -12.037  11.966
    7    HA   ALA   2           HA       ALA   2   8.775 -11.794   9.497
    8    HB1  ALA   2           HB1      ALA   2   7.462 -13.644   8.651
    9    HB2  ALA   2           HB2      ALA   2   6.450 -13.619  10.094
   10    HB3  ALA   2           HB3      ALA   2   8.153 -14.061  10.220
   11    H    MET   3           HN       MET   3   6.298 -10.216  11.007
   12    HA   MET   3           HA       MET   3   4.729  -9.759   8.599
   13    HB2  MET   3           HB2      MET   3   4.413  -8.788  11.435
   14    HB3  MET   3           HB1      MET   3   3.390  -8.239  10.115
   15    HG2  MET   3           HG2      MET   3   2.720 -10.578   9.712
   16    HG3  MET   3           HG1      MET   3   3.668 -11.060  11.116
   17    HE1  MET   3           HE1      MET   3   1.753  -9.277  14.036
   18    HE2  MET   3           HE2      MET   3   3.124  -8.635  13.133
   19    HE3  MET   3           HE3      MET   3   3.098 -10.334  13.606
   20    H    GLU   4           HN       GLU   4   6.662  -7.856  10.893
   21    HA   GLU   4           HA       GLU   4   6.435  -5.453   9.399
   22    HB2  GLU   4           HB2      GLU   4   6.892  -5.425  11.804
   23    HB3  GLU   4           HB1      GLU   4   8.430  -6.229  11.528
   24    HG2  GLU   4           HG2      GLU   4   9.204  -4.300  10.245
   25    HG3  GLU   4           HG1      GLU   4   7.666  -3.493  10.548
   26    H    ARG   5           HN       ARG   5   7.730  -4.588   7.881
   27    HA   ARG   5           HA       ARG   5   9.133  -4.555   6.108
   28    HB2  ARG   5           HB2      ARG   5  10.919  -5.559   8.311
   29    HB3  ARG   5           HB1      ARG   5  11.534  -5.266   6.687
   30    HG2  ARG   5           HG2      ARG   5  11.010  -2.959   6.805
   31    HG3  ARG   5           HG1      ARG   5  10.067  -3.182   8.279
   32    HD2  ARG   5           HD2      ARG   5  12.992  -3.827   8.159
   33    HD3  ARG   5           HD1      ARG   5  12.418  -2.197   8.491
   34    HE   ARG   5           HE       ARG   5  11.064  -3.733  10.276
   35   HH11  ARG   5          HH11      ARG   5  14.450  -3.375   9.487
   36   HH12  ARG   5          HH12      ARG   5  14.990  -3.665  11.109
   37   HH21  ARG   5          HH21      ARG   5  11.749  -4.107  12.408
   38   HH22  ARG   5          HH22      ARG   5  13.455  -4.102  12.775
   39    H    GLU   6           HN       GLU   6   7.594  -6.226   5.387
   40    HA   GLU   6           HA       GLU   6   8.105  -8.945   5.231
   41    HB2  GLU   6           HB2      GLU   6   6.005  -7.841   4.590
   42    HB3  GLU   6           HB1      GLU   6   6.804  -7.098   3.216
   43    HG2  GLU   6           HG2      GLU   6   7.041  -9.193   2.123
   44    HG3  GLU   6           HG1      GLU   6   6.527 -10.068   3.565
   45    H    ASP   7           HN       ASP   7   9.051 -10.239   3.528
   46    HA   ASP   7           HA       ASP   7  11.259  -8.840   2.189
   47    HB2  ASP   7           HB2      ASP   7  12.451 -10.918   2.148
   48    HB3  ASP   7           HB1      ASP   7  11.813 -10.711   3.773
   49    H    GLU   8           HN       GLU   8   8.513  -8.938   1.266
   50    HA   GLU   8           HA       GLU   8   9.019  -9.813  -1.453
   51    HB2  GLU   8           HB2      GLU   8   7.983 -11.769  -0.363
   52    HB3  GLU   8           HB1      GLU   8   6.636 -10.767   0.153
   53    HG2  GLU   8           HG2      GLU   8   5.951 -10.431  -2.127
   54    HG3  GLU   8           HG1      GLU   8   7.371 -11.297  -2.715
   55    H    CYS   9           HN       CYS   9   7.581  -8.748  -2.972
   56    HA   CYS   9           HA       CYS   9   6.892  -6.121  -1.979
   57    HB2  CYS   9           HB2      CYS   9   8.057  -6.273  -4.105
   58    HB3  CYS   9           HB1      CYS   9   6.796  -7.324  -4.749
   59    H    PHE  10           HN       PHE  10   4.973  -5.746  -1.149
   60    HA   PHE  10           HA       PHE  10   2.739  -7.454  -1.440
   61    HB2  PHE  10           HB2      PHE  10   3.014  -6.103   0.543
   62    HB3  PHE  10           HB1      PHE  10   2.998  -4.620  -0.403
   63    HD1  PHE  10           HD1      PHE  10   1.044  -3.413  -0.509
   64    HD2  PHE  10           HD2      PHE  10   0.859  -7.586   0.309
   65    HE1  PHE  10           HE1      PHE  10  -1.385  -3.242  -0.184
   66    HE2  PHE  10           HE2      PHE  10  -1.566  -7.420   0.633
   67    HZ   PHE  10           HZ       PHE  10  -2.680  -5.203   0.432
   68    H    SER  11           HN       SER  11   3.939  -4.872  -3.356
   69    HA   SER  11           HA       SER  11   1.441  -4.156  -4.570
   70    HB2  SER  11           HB2      SER  11   3.296  -2.540  -4.386
   71    HB3  SER  11           HB1      SER  11   4.271  -3.553  -5.447
   72    HG   SER  11           HG       SER  11   2.063  -3.169  -6.759
   73    H    CYS  12           HN       CYS  12   3.988  -6.460  -5.247
   74    HA   CYS  12           HA       CYS  12   2.701  -7.038  -7.832
   75    HB2  CYS  12           HB2      CYS  12   5.575  -7.536  -7.045
   76    HB3  CYS  12           HB1      CYS  12   4.859  -7.882  -8.618
   77    H    GLY  13           HN       GLY  13   3.753  -8.368  -4.803
   78    HA2  GLY  13           HA2      GLY  13   3.240 -10.444  -3.882
   79    HA3  GLY  13           HA1      GLY  13   2.547 -10.929  -5.426
   80    H    ASP  14           HN       ASP  14   5.597  -9.499  -5.620
   81    HA   ASP  14           HA       ASP  14   6.950 -12.097  -5.805
   82    HB2  ASP  14           HB2      ASP  14   6.996  -9.814  -7.779
   83    HB3  ASP  14           HB1      ASP  14   8.227 -11.071  -7.762
   84    H    ALA  15           HN       ALA  15   9.266 -11.978  -5.514
   85    HA   ALA  15           HA       ALA  15  10.015  -9.705  -3.818
   86    HB1  ALA  15           HB1      ALA  15  10.057 -11.890  -2.732
   87    HB2  ALA  15           HB2      ALA  15  11.661 -11.159  -2.805
   88    HB3  ALA  15           HB3      ALA  15  11.230 -12.455  -3.922
   89    H    GLY  16           HN       GLY  16  12.219  -8.934  -3.919
   90    HA2  GLY  16           HA2      GLY  16  14.134  -9.496  -5.798
   91    HA3  GLY  16           HA1      GLY  16  13.006  -8.416  -6.610
   92    H    GLN  17           HN       GLN  17  14.222  -6.572  -6.736
   93    HA   GLN  17           HA       GLN  17  15.722  -5.521  -4.553
   94    HB2  GLN  17           HB2      GLN  17  16.279  -4.880  -6.829
   95    HB3  GLN  17           HB1      GLN  17  14.678  -4.193  -7.062
   96    HG2  GLN  17           HG2      GLN  17  15.174  -2.544  -5.290
   97    HG3  GLN  17           HG1      GLN  17  16.806  -3.197  -5.184
   98   HE21  GLN  17          HE21      GLN  17  17.015  -3.638  -8.052
   99   HE22  GLN  17          HE22      GLN  17  17.244  -2.076  -8.757
  100    H    LEU  18           HN       LEU  18  14.499  -5.303  -2.728
  101    HA   LEU  18           HA       LEU  18  11.982  -3.832  -2.962
  102    HB2  LEU  18           HB2      LEU  18  12.991  -5.525  -0.682
  103    HB3  LEU  18           HB1      LEU  18  11.399  -4.795  -0.807
  104    HG   LEU  18           HG       LEU  18  12.413  -6.814  -2.789
  105   HD11  LEU  18          HD11      LEU  18  12.416  -7.873  -0.624
  106   HD12  LEU  18          HD12      LEU  18  11.058  -8.462  -1.581
  107   HD13  LEU  18          HD13      LEU  18  10.788  -7.280  -0.305
  108   HD21  LEU  18          HD21      LEU  18  10.060  -7.064  -3.320
  109   HD22  LEU  18          HD22      LEU  18  10.576  -5.392  -3.528
  110   HD23  LEU  18          HD23      LEU  18   9.646  -5.857  -2.107
  111    H    VAL  19           HN       VAL  19  11.669  -1.953  -2.033
  112    HA   VAL  19           HA       VAL  19  13.707  -0.897  -0.194
  113    HB   VAL  19           HB       VAL  19  13.619   0.493  -2.155
  114   HG11  VAL  19          HG11      VAL  19  11.508  -0.127  -3.098
  115   HG12  VAL  19          HG12      VAL  19  11.525   1.621  -2.865
  116   HG13  VAL  19          HG13      VAL  19  10.637   0.589  -1.741
  117   HG21  VAL  19          HG21      VAL  19  12.111   1.792   0.110
  118   HG22  VAL  19          HG22      VAL  19  12.909   2.652  -1.207
  119   HG23  VAL  19          HG23      VAL  19  13.862   1.695  -0.073
  120    H    SER  20           HN       SER  20  13.065  -0.444   1.841
  121    HA   SER  20           HA       SER  20  10.316  -1.174   2.475
  122    HB2  SER  20           HB2      SER  20  12.164  -2.340   3.642
  123    HB3  SER  20           HB1      SER  20  12.679  -0.804   4.333
  124    HG   SER  20           HG       SER  20  11.217  -1.053   5.811
  125    H    CYS  21           HN       CYS  21   9.027   0.020   3.845
  126    HA   CYS  21           HA       CYS  21   9.134   2.840   3.451
  127    HB2  CYS  21           HB2      CYS  21   7.061   1.341   3.721
  128    HB3  CYS  21           HB1      CYS  21   7.406   1.383   5.449
  129    H    LYS  22           HN       LYS  22  10.062   4.347   4.743
  130    HA   LYS  22           HA       LYS  22  11.541   3.341   7.048
  131    HB2  LYS  22           HB2      LYS  22  11.695   6.067   5.758
  132    HB3  LYS  22           HB1      LYS  22  12.860   5.346   6.862
  133    HG2  LYS  22           HG2      LYS  22  13.344   3.613   5.185
  134    HG3  LYS  22           HG1      LYS  22  12.225   4.397   4.074
  135    HD2  LYS  22           HD2      LYS  22  13.612   6.414   4.111
  136    HD3  LYS  22           HD1      LYS  22  14.733   5.621   5.220
  137    HE2  LYS  22           HE2      LYS  22  14.087   4.752   2.403
  138    HE3  LYS  22           HE1      LYS  22  15.575   5.530   2.938
  139    HZ1  LYS  22           HZ1      LYS  22  16.017   3.610   4.350
  140    HZ2  LYS  22           HZ2      LYS  22  15.870   3.150   2.733
  141    HZ3  LYS  22           HZ3      LYS  22  14.601   2.862   3.810
  142    H    LYS  23           HN       LYS  23   8.649   3.804   7.025
  143    HA   LYS  23           HA       LYS  23   8.432   5.833   9.143
  144    HB2  LYS  23           HB2      LYS  23   7.018   6.088   7.047
  145    HB3  LYS  23           HB1      LYS  23   6.185   4.617   7.529
  146    HG2  LYS  23           HG2      LYS  23   5.483   5.709   9.613
  147    HG3  LYS  23           HG1      LYS  23   6.286   7.191   9.093
  148    HD2  LYS  23           HD2      LYS  23   4.819   7.204   7.079
  149    HD3  LYS  23           HD1      LYS  23   3.956   5.817   7.750
  150    HE2  LYS  23           HE2      LYS  23   2.717   7.801   8.274
  151    HE3  LYS  23           HE1      LYS  23   3.445   7.192   9.760
  152    HZ1  LYS  23           HZ1      LYS  23   4.526   9.411   8.103
  153    HZ2  LYS  23           HZ2      LYS  23   5.180   8.843   9.559
  154    HZ3  LYS  23           HZ3      LYS  23   3.667   9.593   9.553
  155    HA   PRO  24           HA       PRO  24   8.378   2.263  11.867
  156    HB2  PRO  24           HB2      PRO  24   7.109   4.289  13.648
  157    HB3  PRO  24           HB1      PRO  24   8.453   3.190  13.975
  158    HG2  PRO  24           HG2      PRO  24   8.899   5.769  13.514
  159    HG3  PRO  24           HG1      PRO  24   9.991   4.526  12.873
  160    HD2  PRO  24           HD2      PRO  24   7.917   6.144  11.453
  161    HD3  PRO  24           HD1      PRO  24   9.492   5.563  10.872
  162    H    GLY  25           HN       GLY  25   6.878   0.713  12.108
  163    HA2  GLY  25           HA2      GLY  25   4.729  -0.021  12.875
  164    HA3  GLY  25           HA1      GLY  25   4.056   1.513  12.338
  165    H    CYS  26           HN       CYS  26   5.764   1.129   9.800
  166    HA   CYS  26           HA       CYS  26   3.646  -0.206   8.334
  167    HB2  CYS  26           HB2      CYS  26   4.926   1.986   7.713
  168    HB3  CYS  26           HB1      CYS  26   6.153   0.880   7.099
  169    HA   PRO  27           HA       PRO  27   6.215  -3.870   8.367
  170    HB2  PRO  27           HB2      PRO  27   4.260  -5.657   8.124
  171    HB3  PRO  27           HB1      PRO  27   4.389  -4.671   9.589
  172    HG2  PRO  27           HG2      PRO  27   2.535  -4.385   7.262
  173    HG3  PRO  27           HG1      PRO  27   2.212  -4.144   8.993
  174    HD2  PRO  27           HD2      PRO  27   2.803  -2.126   7.125
  175    HD3  PRO  27           HD1      PRO  27   2.844  -1.964   8.895
  176    H    LYS  28           HN       LYS  28   5.097  -2.362   5.706
  177    HA   LYS  28           HA       LYS  28   5.275  -4.750   3.997
  178    HB2  LYS  28           HB2      LYS  28   3.451  -2.513   3.997
  179    HB3  LYS  28           HB1      LYS  28   4.259  -2.652   2.430
  180    HG2  LYS  28           HG2      LYS  28   2.246  -3.922   2.323
  181    HG3  LYS  28           HG1      LYS  28   3.588  -5.064   2.387
  182    HD2  LYS  28           HD2      LYS  28   3.189  -5.375   4.798
  183    HD3  LYS  28           HD1      LYS  28   1.834  -4.248   4.707
  184    HE2  LYS  28           HE2      LYS  28   0.807  -6.323   4.578
  185    HE3  LYS  28           HE1      LYS  28   0.926  -5.829   2.893
  186    HZ1  LYS  28           HZ1      LYS  28   1.587  -8.101   3.081
  187    HZ2  LYS  28           HZ2      LYS  28   2.694  -7.747   4.305
  188    HZ3  LYS  28           HZ3      LYS  28   2.977  -7.196   2.732
  189    H    VAL  29           HN       VAL  29   6.300  -4.637   1.972
  190    HA   VAL  29           HA       VAL  29   8.280  -2.491   1.625
  191    HB   VAL  29           HB       VAL  29   9.159  -4.703   2.693
  192   HG11  VAL  29          HG11      VAL  29   8.076  -6.228   1.154
  193   HG12  VAL  29          HG12      VAL  29   9.829  -6.402   1.099
  194   HG13  VAL  29          HG13      VAL  29   8.988  -5.535  -0.185
  195   HG21  VAL  29          HG21      VAL  29  10.438  -3.362   0.338
  196   HG22  VAL  29          HG22      VAL  29  11.263  -4.547   1.351
  197   HG23  VAL  29          HG23      VAL  29  10.690  -3.036   2.052
  198    H    TYR  30           HN       TYR  30   9.062  -2.389  -0.654
  199    HA   TYR  30           HA       TYR  30   7.367  -3.717  -2.636
  200    HB2  TYR  30           HB2      TYR  30   7.574  -0.702  -2.474
  201    HB3  TYR  30           HB1      TYR  30   6.719  -1.616  -3.709
  202    HD1  TYR  30           HD1      TYR  30   4.735  -3.069  -2.913
  203    HD2  TYR  30           HD2      TYR  30   6.445   0.055  -0.588
  204    HE1  TYR  30           HE1      TYR  30   2.688  -2.961  -1.561
  205    HE2  TYR  30           HE2      TYR  30   4.402   0.172   0.768
  206    HH   TYR  30           HH       TYR  30   2.032  -0.408   0.589
  207    H    HIS  31           HN       HIS  31   8.116  -3.162  -4.880
  208    HA   HIS  31           HA       HIS  31  11.002  -2.904  -5.023
  209    HB2  HIS  31           HB2      HIS  31   9.001  -3.018  -7.301
  210    HB3  HIS  31           HB1      HIS  31  10.747  -3.203  -7.435
  211    HD2  HIS  31           HD2      HIS  31  11.567  -5.574  -5.741
  212    HE1  HIS  31           HE1      HIS  31   8.069  -7.564  -7.070
  213    HE2  HIS  31           HE2      HIS  31  10.462  -7.871  -6.263
  214    H    ALA  32           HN       ALA  32  12.072  -1.176  -6.004
  215    HA   ALA  32           HA       ALA  32  10.859   1.373  -5.762
  216    HB1  ALA  32           HB1      ALA  32  12.957   2.220  -6.726
  217    HB2  ALA  32           HB2      ALA  32  13.437   0.565  -7.096
  218    HB3  ALA  32           HB3      ALA  32  13.241   1.072  -5.418
  219    H    ASP  33           HN       ASP  33  11.303  -0.903  -8.328
  220    HA   ASP  33           HA       ASP  33  10.853   0.781 -10.535
  221    HB2  ASP  33           HB2      ASP  33  10.522  -2.187 -10.155
  222    HB3  ASP  33           HB1      ASP  33  10.173  -1.401 -11.687
  223    H    CYS  34           HN       CYS  34   8.584  -1.214  -8.637
  224    HA   CYS  34           HA       CYS  34   6.387  -0.557 -10.361
  225    HB2  CYS  34           HB2      CYS  34   5.053  -1.690  -8.441
  226    HB3  CYS  34           HB1      CYS  34   6.163  -2.680  -9.380
  227    H    LEU  35           HN       LEU  35   7.824   0.867  -7.588
  228    HA   LEU  35           HA       LEU  35   5.484   2.434  -6.906
  229    HB2  LEU  35           HB2      LEU  35   8.322   2.490  -5.912
  230    HB3  LEU  35           HB1      LEU  35   7.069   3.564  -5.327
  231    HG   LEU  35           HG       LEU  35   6.983   0.560  -5.096
  232   HD11  LEU  35          HD11      LEU  35   7.354   1.140  -2.653
  233   HD12  LEU  35          HD12      LEU  35   7.873   2.725  -3.223
  234   HD13  LEU  35          HD13      LEU  35   8.746   1.277  -3.724
  235   HD21  LEU  35          HD21      LEU  35   5.260   2.739  -3.921
  236   HD22  LEU  35          HD22      LEU  35   5.178   1.035  -3.476
  237   HD23  LEU  35          HD23      LEU  35   4.767   1.538  -5.114
  238    H    ASN  36           HN       ASN  36   7.667   2.601  -9.333
  239    HA   ASN  36           HA       ASN  36   8.325   4.178 -10.821
  240    HB2  ASN  36           HB2      ASN  36   5.885   4.789 -10.726
  241    HB3  ASN  36           HB1      ASN  36   6.286   5.984  -9.501
  242   HD21  ASN  36          HD21      ASN  36   8.198   5.189 -12.354
  243   HD22  ASN  36          HD22      ASN  36   8.026   6.733 -13.109
  244    H    LEU  37           HN       LEU  37   9.775   3.892  -8.411
  245    HA   LEU  37           HA       LEU  37  10.427   6.544  -7.466
  246    HB2  LEU  37           HB2      LEU  37  11.545   3.826  -6.841
  247    HB3  LEU  37           HB1      LEU  37  12.241   5.297  -6.196
  248    HG   LEU  37           HG       LEU  37   9.450   4.265  -5.677
  249   HD11  LEU  37          HD11      LEU  37  11.241   3.052  -4.510
  250   HD12  LEU  37          HD12      LEU  37  10.219   3.965  -3.402
  251   HD13  LEU  37          HD13      LEU  37  11.815   4.575  -3.836
  252   HD21  LEU  37          HD21      LEU  37  10.819   6.753  -4.662
  253   HD22  LEU  37          HD22      LEU  37   9.269   6.132  -4.096
  254   HD23  LEU  37          HD23      LEU  37   9.438   6.691  -5.758
  255    H    THR  38           HN       THR  38  10.925   7.175  -9.760
  256    HA   THR  38           HA       THR  38  13.414   6.392 -10.897
  257    HB   THR  38           HB       THR  38  12.035   9.042 -11.344
  258    HG1  THR  38           HG1      THR  38  10.873   7.819 -13.015
  259   HG21  THR  38          HG21      THR  38  12.932   8.787 -13.612
  260   HG22  THR  38          HG22      THR  38  13.647   7.241 -13.159
  261   HG23  THR  38          HG23      THR  38  14.222   8.730 -12.412
  262    H    LYS  39           HN       LYS  39  12.381   8.742  -8.548
  263    HA   LYS  39           HA       LYS  39  15.109   9.750  -8.237
  264    HB2  LYS  39           HB2      LYS  39  12.523  10.585  -6.900
  265    HB3  LYS  39           HB1      LYS  39  14.089  11.313  -6.589
  266    HG2  LYS  39           HG2      LYS  39  12.678  11.316  -9.252
  267    HG3  LYS  39           HG1      LYS  39  12.711  12.660  -8.107
  268    HD2  LYS  39           HD2      LYS  39  15.192  12.671  -8.287
  269    HD3  LYS  39           HD1      LYS  39  15.068  11.436  -9.540
  270    HE2  LYS  39           HE2      LYS  39  15.320  13.649 -10.521
  271    HE3  LYS  39           HE1      LYS  39  13.746  12.965 -10.916
  272    HZ1  LYS  39           HZ1      LYS  39  12.774  14.307  -9.146
  273    HZ2  LYS  39           HZ2      LYS  39  13.554  15.277 -10.290
  274    HZ3  LYS  39           HZ3      LYS  39  14.290  14.974  -8.799
  275    H    ARG  40           HN       ARG  40  16.388   9.098  -6.604
  276    HA   ARG  40           HA       ARG  40  15.545   6.838  -5.046
  277    HB2  ARG  40           HB2      ARG  40  17.798   6.898  -5.944
  278    HB3  ARG  40           HB1      ARG  40  18.132   8.396  -5.087
  279    HG2  ARG  40           HG2      ARG  40  17.990   7.262  -2.962
  280    HG3  ARG  40           HG1      ARG  40  17.523   5.762  -3.764
  281    HD2  ARG  40           HD2      ARG  40  20.136   7.197  -4.210
  282    HD3  ARG  40           HD1      ARG  40  19.919   5.842  -3.106
  283    HE   ARG  40           HE       ARG  40  19.228   5.481  -5.931
  284   HH11  ARG  40          HH11      ARG  40  21.386   4.823  -3.259
  285   HH12  ARG  40          HH12      ARG  40  22.123   3.450  -4.017
  286   HH21  ARG  40          HH21      ARG  40  20.200   3.671  -6.945
  287   HH22  ARG  40          HH22      ARG  40  21.453   2.798  -6.120
  288    HA   PRO  41           HA       PRO  41  14.182   9.529  -1.722
  289    HB2  PRO  41           HB2      PRO  41  13.035   7.620  -0.209
  290    HB3  PRO  41           HB1      PRO  41  12.275   8.236  -1.680
  291    HG2  PRO  41           HG2      PRO  41  13.840   5.720  -1.261
  292    HG3  PRO  41           HG1      PRO  41  12.337   5.967  -2.173
  293    HD2  PRO  41           HD2      PRO  41  14.798   5.828  -3.356
  294    HD3  PRO  41           HD1      PRO  41  13.447   6.762  -4.033
  295    H    ALA  42           HN       ALA  42  15.157  10.158   0.127
  296    HA   ALA  42           HA       ALA  42  16.868   8.252   1.556
  297    HB1  ALA  42           HB1      ALA  42  17.714  11.025   0.729
  298    HB2  ALA  42           HB2      ALA  42  18.309   9.513   0.043
  299    HB3  ALA  42           HB3      ALA  42  18.648   9.911   1.726
  300    H    GLY  43           HN       GLY  43  17.299   8.849   3.769
  301    HA2  GLY  43           HA2      GLY  43  16.884  10.017   5.762
  302    HA3  GLY  43           HA1      GLY  43  15.782  11.072   4.888
  303    H    LYS  44           HN       LYS  44  13.728  10.847   5.403
  304    HA   LYS  44           HA       LYS  44  12.800   8.200   6.302
  305    HB2  LYS  44           HB2      LYS  44  11.704  10.937   6.983
  306    HB3  LYS  44           HB1      LYS  44  10.977   9.413   7.471
  307    HG2  LYS  44           HG2      LYS  44  12.950   8.870   8.782
  308    HG3  LYS  44           HG1      LYS  44  13.717  10.374   8.267
  309    HD2  LYS  44           HD2      LYS  44  11.906  11.647   9.330
  310    HD3  LYS  44           HD1      LYS  44  11.165  10.138   9.861
  311    HE2  LYS  44           HE2      LYS  44  13.905  11.125  10.653
  312    HE3  LYS  44           HE1      LYS  44  12.455  11.225  11.648
  313    HZ1  LYS  44           HZ1      LYS  44  12.332   8.803  11.619
  314    HZ2  LYS  44           HZ2      LYS  44  13.792   9.336  12.281
  315    HZ3  LYS  44           HZ3      LYS  44  13.751   8.726  10.706
  316    H    TRP  45           HN       TRP  45  11.855   7.242   4.638
  317    HA   TRP  45           HA       TRP  45  10.230   8.843   2.811
  318    HB2  TRP  45           HB2      TRP  45  12.021   7.679   1.681
  319    HB3  TRP  45           HB1      TRP  45  11.555   6.157   2.429
  320    HD1  TRP  45           HD1      TRP  45  10.131   8.729  -0.091
  321    HE1  TRP  45           HE1      TRP  45   8.614   7.474  -1.739
  322    HE3  TRP  45           HE3      TRP  45  10.356   4.074   2.002
  323    HZ2  TRP  45           HZ2      TRP  45   7.642   4.846  -2.111
  324    HZ3  TRP  45           HZ3      TRP  45   9.103   2.239   0.935
  325    HH2  TRP  45           HH2      TRP  45   7.777   2.619  -1.074
  326    H    GLU  46           HN       GLU  46   8.118   8.514   2.637
  327    HA   GLU  46           HA       GLU  46   6.937   6.340   4.232
  328    HB2  GLU  46           HB2      GLU  46   5.746   9.013   3.456
  329    HB3  GLU  46           HB1      GLU  46   4.984   7.800   4.476
  330    HG2  GLU  46           HG2      GLU  46   6.548   8.137   6.212
  331    HG3  GLU  46           HG1      GLU  46   7.606   9.087   5.171
  332    H    CYS  47           HN       CYS  47   5.893   4.803   3.122
  333    HA   CYS  47           HA       CYS  47   5.800   4.777   0.313
  334    HB2  CYS  47           HB2      CYS  47   4.700   2.665   0.490
  335    HB3  CYS  47           HB1      CYS  47   5.837   2.752   1.830
  336    HA   PRO  48           HA       PRO  48   2.037   6.865  -0.714
  337    HB2  PRO  48           HB2      PRO  48   1.303   5.466  -2.942
  338    HB3  PRO  48           HB1      PRO  48   2.617   6.653  -2.926
  339    HG2  PRO  48           HG2      PRO  48   2.754   3.666  -2.727
  340    HG3  PRO  48           HG1      PRO  48   3.760   4.769  -3.685
  341    HD2  PRO  48           HD2      PRO  48   4.609   3.740  -1.347
  342    HD3  PRO  48           HD1      PRO  48   5.046   5.386  -1.851
  343    H    TRP  49           HN       TRP  49   2.112   3.714   0.401
  344    HA   TRP  49           HA       TRP  49  -0.668   3.054   0.107
  345    HB2  TRP  49           HB2      TRP  49   1.277   1.412   0.445
  346    HB3  TRP  49           HB1      TRP  49   1.260   1.905   2.138
  347    HD1  TRP  49           HD1      TRP  49  -1.757   0.997  -0.140
  348    HE1  TRP  49           HE1      TRP  49  -3.052  -0.924   0.986
  349    HE3  TRP  49           HE3      TRP  49   1.274   0.235   3.914
  350    HZ2  TRP  49           HZ2      TRP  49  -2.833  -2.525   3.292
  351    HZ3  TRP  49           HZ3      TRP  49   0.651  -1.505   5.534
  352    HH2  TRP  49           HH2      TRP  49  -1.361  -2.863   5.227
  353    H    HIS  50           HN       HIS  50   0.963   5.304   1.922
  354    HA   HIS  50           HA       HIS  50  -1.069   5.330   4.037
  355    HB2  HIS  50           HB2      HIS  50   1.368   7.098   3.736
  356    HB3  HIS  50           HB1      HIS  50   0.301   7.008   5.135
  357    HD1  HIS  50           HD1      HIS  50   0.269   3.851   5.393
  358    HD2  HIS  50           HD2      HIS  50   3.621   6.244   4.882
  359    HE1  HIS  50           HE1      HIS  50   2.227   2.551   6.347
  360    H    GLN  51           HN       GLN  51  -0.792   6.407   0.982
  361    HA   GLN  51           HA       GLN  51  -2.070   8.987   1.575
  362    HB2  GLN  51           HB2      GLN  51  -0.179   8.361  -0.697
  363    HB3  GLN  51           HB1      GLN  51  -1.061   9.868  -0.509
  364    HG2  GLN  51           HG2      GLN  51   0.890   8.800   1.504
  365    HG3  GLN  51           HG1      GLN  51   1.301   9.959   0.243
  366   HE21  GLN  51          HE21      GLN  51  -0.428   9.463   3.244
  367   HE22  GLN  51          HE22      GLN  51  -0.675  11.136   3.590
  368    H    CYS  52           HN       CYS  52  -3.849   9.501   0.546
  369    HA   CYS  52           HA       CYS  52  -5.469   7.518  -0.592
  370    HB2  CYS  52           HB2      CYS  52  -6.331   9.490   0.566
  371    HB3  CYS  52           HB1      CYS  52  -5.685  10.529  -0.691
  372    H    ASP  53           HN       ASP  53  -5.509   6.710  -2.556
  373    HA   ASP  53           HA       ASP  53  -3.759   7.457  -4.611
  374    HB2  ASP  53           HB2      ASP  53  -4.698   5.202  -4.423
  375    HB3  ASP  53           HB1      ASP  53  -6.309   5.822  -4.758
  376    H    VAL  54           HN       VAL  54  -6.829   8.735  -3.738
  377    HA   VAL  54           HA       VAL  54  -7.396   9.755  -6.392
  378    HB   VAL  54           HB       VAL  54  -8.903  10.181  -3.808
  379   HG11  VAL  54          HG11      VAL  54  -9.676  10.800  -6.655
  380   HG12  VAL  54          HG12      VAL  54  -9.307  11.978  -5.393
  381   HG13  VAL  54          HG13      VAL  54 -10.731  10.945  -5.248
  382   HG21  VAL  54          HG21      VAL  54 -10.509   8.577  -4.754
  383   HG22  VAL  54          HG22      VAL  54  -8.927   7.848  -4.480
  384   HG23  VAL  54          HG23      VAL  54  -9.418   8.303  -6.112
  385    H    CYS  55           HN       CYS  55  -6.660  11.161  -3.169
  386    HA   CYS  55           HA       CYS  55  -6.303  13.720  -4.579
  387    HB2  CYS  55           HB2      CYS  55  -6.979  14.877  -2.547
  388    HB3  CYS  55           HB1      CYS  55  -8.221  13.756  -3.088
  389    H    GLY  56           HN       GLY  56  -4.521  11.367  -3.068
  390    HA2  GLY  56           HA2      GLY  56  -2.274  11.312  -2.595
  391    HA3  GLY  56           HA1      GLY  56  -2.177  12.965  -3.183
  392    H    LYS  57           HN       LYS  57  -4.421  12.445  -0.657
  393    HA   LYS  57           HA       LYS  57  -2.566  13.714   1.225
  394    HB2  LYS  57           HB2      LYS  57  -5.585  13.683   1.183
  395    HB3  LYS  57           HB1      LYS  57  -4.613  14.442   2.434
  396    HG2  LYS  57           HG2      LYS  57  -3.670  15.976   0.824
  397    HG3  LYS  57           HG1      LYS  57  -4.544  15.179  -0.483
  398    HD2  LYS  57           HD2      LYS  57  -6.659  15.859   0.464
  399    HD3  LYS  57           HD1      LYS  57  -5.842  16.545   1.871
  400    HE2  LYS  57           HE2      LYS  57  -6.465  18.294   0.289
  401    HE3  LYS  57           HE1      LYS  57  -4.715  18.166   0.430
  402    HZ1  LYS  57           HZ1      LYS  57  -4.677  16.901  -1.631
  403    HZ2  LYS  57           HZ2      LYS  57  -5.395  18.413  -1.868
  404    HZ3  LYS  57           HZ3      LYS  57  -6.359  17.031  -1.769
  405    H    GLU  58           HN       GLU  58  -3.660  13.247   3.608
  406    HA   GLU  58           HA       GLU  58  -2.654  10.777   4.357
  407    HB2  GLU  58           HB2      GLU  58  -3.013  12.707   5.867
  408    HB3  GLU  58           HB1      GLU  58  -4.744  12.426   5.790
  409    HG2  GLU  58           HG2      GLU  58  -3.904  11.539   7.839
  410    HG3  GLU  58           HG1      GLU  58  -4.389  10.203   6.797
  411    H    ALA  59           HN       ALA  59  -3.400   8.764   4.254
  412    HA   ALA  59           HA       ALA  59  -6.157   8.331   3.400
  413    HB1  ALA  59           HB1      ALA  59  -4.500   7.217   2.083
  414    HB2  ALA  59           HB2      ALA  59  -5.396   6.006   2.996
  415    HB3  ALA  59           HB3      ALA  59  -3.780   6.489   3.518
  416    H    ALA  60           HN       ALA  60  -7.631   7.127   4.537
  417    HA   ALA  60           HA       ALA  60  -6.899   6.478   7.313
  418    HB1  ALA  60           HB1      ALA  60  -9.284   6.666   7.826
  419    HB2  ALA  60           HB2      ALA  60  -9.622   7.030   6.133
  420    HB3  ALA  60           HB3      ALA  60  -8.666   8.150   7.103
  421    H    SER  61           HN       SER  61  -8.377   5.272   4.376
  422    HA   SER  61           HA       SER  61  -8.520   2.598   5.589
  423    HB2  SER  61           HB2      SER  61 -10.099   2.098   3.700
  424    HB3  SER  61           HB1      SER  61 -10.689   3.321   4.822
  425    HG   SER  61           HG       SER  61  -9.219   4.295   2.704
  426    H    PHE  62           HN       PHE  62  -7.473   0.908   4.587
  427    HA   PHE  62           HA       PHE  62  -5.700   1.662   2.354
  428    HB2  PHE  62           HB2      PHE  62  -4.928  -0.267   4.552
  429    HB3  PHE  62           HB1      PHE  62  -3.872   0.543   3.390
  430    HD1  PHE  62           HD1      PHE  62  -5.233   0.634   6.681
  431    HD2  PHE  62           HD2      PHE  62  -3.696   3.100   3.572
  432    HE1  PHE  62           HE1      PHE  62  -4.766   2.410   8.316
  433    HE2  PHE  62           HE2      PHE  62  -3.234   4.876   5.206
  434    HZ   PHE  62           HZ       PHE  62  -3.885   4.537   7.606
  435    H    CYS  63           HN       CYS  63  -5.919   0.351   0.601
  436    HA   CYS  63           HA       CYS  63  -7.500  -2.007   0.691
  437    HB2  CYS  63           HB2      CYS  63  -7.207  -0.686  -1.395
  438    HB3  CYS  63           HB1      CYS  63  -5.521  -1.199  -1.454
  439    H    GLU  64           HN       GLU  64  -6.967  -3.995   1.241
  440    HA   GLU  64           HA       GLU  64  -4.240  -4.473   2.124
  441    HB2  GLU  64           HB2      GLU  64  -6.775  -6.085   2.414
  442    HB3  GLU  64           HB1      GLU  64  -5.221  -6.571   3.076
  443    HG2  GLU  64           HG2      GLU  64  -5.199  -4.521   4.449
  444    HG3  GLU  64           HG1      GLU  64  -6.789  -4.105   3.813
  445    H    MET  65           HN       MET  65  -5.230  -4.468  -0.786
  446    HA   MET  65           HA       MET  65  -3.895  -7.002  -1.476
  447    HB2  MET  65           HB2      MET  65  -6.200  -5.716  -2.942
  448    HB3  MET  65           HB1      MET  65  -5.291  -7.115  -3.513
  449    HG2  MET  65           HG2      MET  65  -6.027  -8.407  -1.596
  450    HG3  MET  65           HG1      MET  65  -6.893  -7.008  -0.962
  451    HE1  MET  65           HE1      MET  65  -8.115  -9.975  -1.519
  452    HE2  MET  65           HE2      MET  65  -9.705  -9.517  -2.127
  453    HE3  MET  65           HE3      MET  65  -9.005  -8.658  -0.756
  454    H    CYS  66           HN       CYS  66  -3.780  -3.635  -1.706
  455    HA   CYS  66           HA       CYS  66  -1.577  -3.726  -3.522
  456    HB2  CYS  66           HB2      CYS  66  -2.494  -2.556  -5.376
  457    HB3  CYS  66           HB1      CYS  66  -3.659  -3.823  -5.016
  458    HA   PRO  67           HA       PRO  67  -0.549  -0.007  -1.408
  459    HB2  PRO  67           HB2      PRO  67   0.379   1.363  -3.830
  460    HB3  PRO  67           HB1      PRO  67   1.317   0.746  -2.467
  461    HG2  PRO  67           HG2      PRO  67   1.421  -0.401  -4.893
  462    HG3  PRO  67           HG1      PRO  67   1.538  -1.347  -3.398
  463    HD2  PRO  67           HD2      PRO  67  -0.849  -0.935  -5.184
  464    HD3  PRO  67           HD1      PRO  67  -0.244  -2.440  -4.445
  465    H    SER  68           HN       SER  68  -3.158   0.063  -3.347
  466    HA   SER  68           HA       SER  68  -3.486   2.938  -3.495
  467    HB2  SER  68           HB2      SER  68  -5.421   0.725  -4.224
  468    HB3  SER  68           HB1      SER  68  -5.635   2.442  -4.571
  469    HG   SER  68           HG       SER  68  -3.450   2.153  -5.653
  470    H    SER  69           HN       SER  69  -3.786   3.856  -1.578
  471    HA   SER  69           HA       SER  69  -5.872   2.757   0.180
  472    HB2  SER  69           HB2      SER  69  -4.777   4.257   1.919
  473    HB3  SER  69           HB1      SER  69  -3.797   2.897   1.364
  474    HG   SER  69           HG       SER  69  -3.543   5.309  -0.020
  475    H    PHE  70           HN       PHE  70  -7.197   4.477   1.343
  476    HA   PHE  70           HA       PHE  70  -7.622   6.809  -0.400
  477    HB2  PHE  70           HB2      PHE  70  -9.817   4.955   0.558
  478    HB3  PHE  70           HB1      PHE  70 -10.044   6.436  -0.374
  479    HD1  PHE  70           HD1      PHE  70  -9.013   6.546  -2.691
  480    HD2  PHE  70           HD2      PHE  70  -9.473   2.920  -0.518
  481    HE1  PHE  70           HE1      PHE  70  -8.822   5.271  -4.786
  482    HE2  PHE  70           HE2      PHE  70  -9.283   1.635  -2.607
  483    HZ   PHE  70           HZ       PHE  70  -8.931   2.799  -4.736
  484    H    CYS  71           HN       CYS  71  -8.585   8.591   0.590
  485    HA   CYS  71           HA       CYS  71  -8.188   8.760   3.443
  486    HB2  CYS  71           HB2      CYS  71  -8.615  11.115   3.192
  487    HB3  CYS  71           HB1      CYS  71  -7.598  10.612   1.844
  488    H    LYS  72           HN       LYS  72  -9.997  10.043   4.676
  489    HA   LYS  72           HA       LYS  72 -12.205   8.378   4.955
  490    HB2  LYS  72           HB2      LYS  72 -11.903  11.281   5.721
  491    HB3  LYS  72           HB1      LYS  72 -13.207  10.236   6.271
  492    HG2  LYS  72           HG2      LYS  72 -11.614   8.792   7.386
  493    HG3  LYS  72           HG1      LYS  72 -10.280   9.770   6.782
  494    HD2  LYS  72           HD2      LYS  72 -11.166  11.700   8.028
  495    HD3  LYS  72           HD1      LYS  72 -12.448  10.672   8.669
  496    HE2  LYS  72           HE2      LYS  72 -10.804   9.251   9.739
  497    HE3  LYS  72           HE1      LYS  72  -9.496  10.212   9.055
  498    HZ1  LYS  72           HZ1      LYS  72 -10.313  12.118  10.320
  499    HZ2  LYS  72           HZ2      LYS  72  -9.893  10.832  11.335
  500    HZ3  LYS  72           HZ3      LYS  72 -11.521  11.155  11.011
  501    H    GLN  73           HN       GLN  73 -11.784  11.247   2.997
  502    HA   GLN  73           HA       GLN  73 -14.527  11.530   2.290
  503    HB2  GLN  73           HB2      GLN  73 -11.994  12.655   1.121
  504    HB3  GLN  73           HB1      GLN  73 -13.592  13.072   0.523
  505    HG2  GLN  73           HG2      GLN  73 -14.184  14.104   2.575
  506    HG3  GLN  73           HG1      GLN  73 -12.764  13.447   3.388
  507   HE21  GLN  73          HE21      GLN  73 -13.941  15.849   1.158
  508   HE22  GLN  73          HE22      GLN  73 -12.519  16.832   1.166
  509    H    HIS  74           HN       HIS  74 -11.755   9.934   0.782
  510    HA   HIS  74           HA       HIS  74 -13.464   9.283  -1.518
  511    HB2  HIS  74           HB2      HIS  74 -10.446   9.283  -1.293
  512    HB3  HIS  74           HB1      HIS  74 -11.352   8.818  -2.737
  513    HD2  HIS  74           HD2      HIS  74 -13.462  11.285  -2.774
  514    HE1  HIS  74           HE1      HIS  74  -9.995  13.696  -2.812
  515    HE2  HIS  74           HE2      HIS  74 -12.464  13.602  -3.381
  516    H    ARG  75           HN       ARG  75 -13.237   7.785   1.145
  517    HA   ARG  75           HA       ARG  75 -12.367   5.198   0.111
  518    HB2  ARG  75           HB2      ARG  75 -12.685   4.355   2.382
  519    HB3  ARG  75           HB1      ARG  75 -11.617   5.750   2.349
  520    HG2  ARG  75           HG2      ARG  75 -13.511   7.162   3.064
  521    HG3  ARG  75           HG1      ARG  75 -14.503   5.708   3.193
  522    HD2  ARG  75           HD2      ARG  75 -13.040   4.812   4.890
  523    HD3  ARG  75           HD1      ARG  75 -11.919   6.156   4.694
  524    HE   ARG  75           HE       ARG  75 -14.416   7.221   5.332
  525   HH11  ARG  75          HH11      ARG  75 -12.033   5.151   6.847
  526   HH12  ARG  75          HH12      ARG  75 -12.368   5.730   8.450
  527   HH21  ARG  75          HH21      ARG  75 -14.863   7.973   7.428
  528   HH22  ARG  75          HH22      ARG  75 -13.972   7.338   8.778
  529    H    GLU  76           HN       GLU  76 -15.227   6.994   0.604
  530    HA   GLU  76           HA       GLU  76 -17.039   4.857   0.969
  531    HB2  GLU  76           HB2      GLU  76 -17.418   7.668  -0.048
  532    HB3  GLU  76           HB1      GLU  76 -18.752   6.540   0.161
  533    HG2  GLU  76           HG2      GLU  76 -18.115   6.345   2.561
  534    HG3  GLU  76           HG1      GLU  76 -16.931   7.623   2.299
  535    H    GLY  77           HN       GLY  77 -17.760   3.410  -0.440
  536    HA2  GLY  77           HA2      GLY  77 -18.311   2.395  -2.423
  537    HA3  GLY  77           HA1      GLY  77 -18.247   3.982  -3.179
  538    H    MET  78           HN       MET  78 -15.373   3.134  -1.550
  539    HA   MET  78           HA       MET  78 -14.171   2.372  -4.132
  540    HB2  MET  78           HB2      MET  78 -12.985   4.035  -1.904
  541    HB3  MET  78           HB1      MET  78 -12.073   3.446  -3.287
  542    HG2  MET  78           HG2      MET  78 -14.464   5.276  -3.441
  543    HG3  MET  78           HG1      MET  78 -12.779   5.787  -3.548
  544    HE1  MET  78           HE1      MET  78 -14.138   6.207  -7.214
  545    HE2  MET  78           HE2      MET  78 -13.423   7.023  -5.823
  546    HE3  MET  78           HE3      MET  78 -15.078   6.419  -5.739
  547    H    LEU  79           HN       LEU  79 -14.283   1.686  -0.685
  548    HA   LEU  79           HA       LEU  79 -12.533  -0.626  -1.197
  549    HB2  LEU  79           HB2      LEU  79 -11.598   1.320   0.210
  550    HB3  LEU  79           HB1      LEU  79 -12.736   0.808   1.442
  551    HG   LEU  79           HG       LEU  79 -11.627  -1.389   1.550
  552   HD11  LEU  79          HD11      LEU  79  -9.688  -0.178  -0.416
  553   HD12  LEU  79          HD12      LEU  79 -10.773  -1.532  -0.723
  554   HD13  LEU  79          HD13      LEU  79  -9.463  -1.699   0.441
  555   HD21  LEU  79          HD21      LEU  79  -9.501  -0.566   2.550
  556   HD22  LEU  79          HD22      LEU  79 -10.934   0.303   3.099
  557   HD23  LEU  79          HD23      LEU  79  -9.868   1.030   1.896
  558    H    PHE  80           HN       PHE  80 -13.198  -2.578  -0.369
  559    HA   PHE  80           HA       PHE  80 -15.488  -2.709   1.424
  560    HB2  PHE  80           HB2      PHE  80 -16.662  -4.316  -0.126
  561    HB3  PHE  80           HB1      PHE  80 -16.633  -2.653  -0.688
  562    HD1  PHE  80           HD1      PHE  80 -15.512  -2.047  -2.711
  563    HD2  PHE  80           HD2      PHE  80 -15.223  -6.021  -1.198
  564    HE1  PHE  80           HE1      PHE  80 -14.560  -2.792  -4.845
  565    HE2  PHE  80           HE2      PHE  80 -14.268  -6.764  -3.336
  566    HZ   PHE  80           HZ       PHE  80 -13.934  -5.147  -5.163
  567    H    ILE  81           HN       ILE  81 -15.923  -5.055   2.039
  568    HA   ILE  81           HA       ILE  81 -13.351  -6.306   2.549
  569    HB   ILE  81           HB       ILE  81 -16.116  -6.976   3.554
  570   HG12  ILE  81          HG12      ILE  81 -15.084  -4.880   4.425
  571   HG13  ILE  81          HG11      ILE  81 -15.355  -6.091   5.670
  572   HG21  ILE  81          HG21      ILE  81 -14.835  -9.009   3.445
  573   HG22  ILE  81          HG22      ILE  81 -14.968  -8.498   5.126
  574   HG23  ILE  81          HG23      ILE  81 -13.467  -8.231   4.240
  575   HD11  ILE  81          HD11      ILE  81 -12.994  -6.711   5.561
  576   HD12  ILE  81          HD12      ILE  81 -13.223  -5.012   5.977
  577   HD13  ILE  81          HD13      ILE  81 -12.732  -5.462   4.344
  578    H    SER  82           HN       SER  82 -12.600  -8.062   1.564
  579    HA   SER  82           HA       SER  82 -14.016  -9.282  -0.592
  580    HB2  SER  82           HB2      SER  82 -11.591  -9.131  -0.665
  581    HB3  SER  82           HB1      SER  82 -11.456 -10.059   0.826
  582    HG   SER  82           HG       SER  82 -12.005 -10.900  -1.769
  583    H    LYS  83           HN       LYS  83 -15.309 -11.017  -0.552
  584    HA   LYS  83           HA       LYS  83 -16.079 -12.170   1.943
  585    HB2  LYS  83           HB2      LYS  83 -16.798 -12.829  -0.906
  586    HB3  LYS  83           HB1      LYS  83 -17.465 -13.686   0.477
  587    HG2  LYS  83           HG2      LYS  83 -18.402 -11.587   1.321
  588    HG3  LYS  83           HG1      LYS  83 -17.748 -10.741  -0.079
  589    HD2  LYS  83           HD2      LYS  83 -19.685 -13.039  -0.265
  590    HD3  LYS  83           HD1      LYS  83 -20.174 -11.346  -0.249
  591    HE2  LYS  83           HE2      LYS  83 -18.294 -12.566  -2.262
  592    HE3  LYS  83           HE1      LYS  83 -20.018 -12.328  -2.528
  593    HZ1  LYS  83           HZ1      LYS  83 -18.062 -10.166  -1.958
  594    HZ2  LYS  83           HZ2      LYS  83 -19.708  -9.960  -2.274
  595    HZ3  LYS  83           HZ3      LYS  83 -18.683 -10.541  -3.485
  596    H    LEU  84           HN       LEU  84 -13.852 -13.023  -0.576
  597    HA   LEU  84           HA       LEU  84 -13.500 -15.715   0.425
  598    HB2  LEU  84           HB2      LEU  84 -12.041 -14.175  -1.710
  599    HB3  LEU  84           HB1      LEU  84 -11.732 -15.854  -1.314
  600    HG   LEU  84           HG       LEU  84 -14.286 -14.722  -2.467
  601   HD11  LEU  84          HD11      LEU  84 -12.482 -14.890  -4.081
  602   HD12  LEU  84          HD12      LEU  84 -13.716 -16.106  -4.402
  603   HD13  LEU  84          HD13      LEU  84 -12.203 -16.568  -3.621
  604   HD21  LEU  84          HD21      LEU  84 -14.852 -16.509  -0.956
  605   HD22  LEU  84          HD22      LEU  84 -13.594 -17.536  -1.639
  606   HD23  LEU  84          HD23      LEU  84 -14.994 -17.092  -2.613
  607    H    ASP  85           HN       ASP  85 -11.508 -12.778   0.146
  608    HA   ASP  85           HA       ASP  85  -9.382 -14.027   1.667
  609    HB2  ASP  85           HB2      ASP  85  -9.638 -11.341   0.328
  610    HB3  ASP  85           HB1      ASP  85  -8.268 -11.747   1.352
  611    H    GLY  86           HN       GLY  86 -11.984 -11.844   2.263
  612    HA2  GLY  86           HA2      GLY  86 -12.751 -10.960   4.254
  613    HA3  GLY  86           HA1      GLY  86 -11.438 -11.786   5.082
  614    H    ARG  87           HN       ARG  87  -9.964 -10.223   2.701
  615    HA   ARG  87           HA       ARG  87  -9.111  -8.062   4.447
  616    HB2  ARG  87           HB2      ARG  87  -8.061  -8.952   1.754
  617    HB3  ARG  87           HB1      ARG  87  -7.304  -7.775   2.810
  618    HG2  ARG  87           HG2      ARG  87  -7.683 -10.696   3.425
  619    HG3  ARG  87           HG1      ARG  87  -6.182  -9.934   2.906
  620    HD2  ARG  87           HD2      ARG  87  -5.830  -9.949   5.153
  621    HD3  ARG  87           HD1      ARG  87  -6.658  -8.403   5.008
  622    HE   ARG  87           HE       ARG  87  -8.204 -10.819   5.636
  623   HH11  ARG  87          HH11      ARG  87  -7.031  -7.641   6.577
  624   HH12  ARG  87          HH12      ARG  87  -8.007  -7.589   8.013
  625   HH21  ARG  87          HH21      ARG  87  -9.468 -10.730   7.526
  626   HH22  ARG  87          HH22      ARG  87  -9.393  -9.332   8.549
  627    H    LEU  88           HN       LEU  88  -9.015  -5.875   3.733
  628    HA   LEU  88           HA       LEU  88 -11.261  -4.951   2.294
  629    HB2  LEU  88           HB2      LEU  88  -8.696  -3.591   3.103
  630    HB3  LEU  88           HB1      LEU  88 -10.035  -2.755   2.351
  631    HG   LEU  88           HG       LEU  88 -10.439  -4.285   4.893
  632   HD11  LEU  88          HD11      LEU  88  -9.520  -1.422   4.650
  633   HD12  LEU  88          HD12      LEU  88  -8.556  -2.762   5.268
  634   HD13  LEU  88          HD13      LEU  88  -9.998  -2.238   6.139
  635   HD21  LEU  88          HD21      LEU  88 -12.408  -3.530   3.650
  636   HD22  LEU  88          HD22      LEU  88 -11.789  -1.879   3.671
  637   HD23  LEU  88          HD23      LEU  88 -12.247  -2.668   5.180
  638    H    SER  89           HN       SER  89 -11.583  -4.783   0.182
  639    HA   SER  89           HA       SER  89  -9.241  -4.789  -1.604
  640    HB2  SER  89           HB2      SER  89 -10.584  -6.913  -1.628
  641    HB3  SER  89           HB1      SER  89 -11.967  -5.977  -2.190
  642    HG   SER  89           HG       SER  89  -9.647  -6.736  -3.534
  643    H    CYS  90           HN       CYS  90  -9.177  -3.217  -3.131
  644    HA   CYS  90           HA       CYS  90 -11.159  -1.117  -2.976
  645    HB2  CYS  90           HB2      CYS  90  -9.625   0.206  -4.293
  646    HB3  CYS  90           HB1      CYS  90  -8.693  -0.640  -3.058
  647    H    THR  91           HN       THR  91 -11.925  -0.093  -5.036
  648    HA   THR  91           HA       THR  91 -13.354  -2.028  -6.546
  649    HB   THR  91           HB       THR  91 -14.047   0.100  -7.844
  650    HG1  THR  91           HG1      THR  91 -13.137   1.906  -7.200
  651   HG21  THR  91          HG21      THR  91 -15.579   0.736  -6.034
  652   HG22  THR  91          HG22      THR  91 -14.603  -0.187  -4.892
  653   HG23  THR  91          HG23      THR  91 -15.455  -1.015  -6.195
  654    H    GLU  92           HN       GLU  92 -10.224  -1.169  -6.883
  655    HA   GLU  92           HA       GLU  92 -10.180  -1.170  -9.788
  656    HB2  GLU  92           HB2      GLU  92  -7.932  -1.174  -7.763
  657    HB3  GLU  92           HB1      GLU  92  -7.716  -1.072  -9.504
  658    HG2  GLU  92           HG2      GLU  92  -9.212   0.944  -7.842
  659    HG3  GLU  92           HG1      GLU  92  -7.532   1.103  -8.350
  660    H    HIS  93           HN       HIS  93 -10.704  -3.443  -7.542
  661    HA   HIS  93           HA       HIS  93  -9.266  -5.535  -9.038
  662    HB2  HIS  93           HB2      HIS  93 -10.235  -5.695  -6.177
  663    HB3  HIS  93           HB1      HIS  93  -9.305  -6.913  -7.034
  664    HD1  HIS  93           HD1      HIS  93  -7.359  -4.393  -8.148
  665    HD2  HIS  93           HD2      HIS  93  -8.199  -5.673  -4.292
  666    HE1  HIS  93           HE1      HIS  93  -5.452  -3.582  -6.691
  667    H    ASP  94           HN       ASP  94 -10.851  -6.027 -10.510
  668    HA   ASP  94           HA       ASP  94 -13.392  -6.989  -9.395
  669    HB2  ASP  94           HB2      ASP  94 -12.707  -6.185 -12.231
  670    HB3  ASP  94           HB1      ASP  94 -14.240  -6.900 -11.746
  Start of MODEL   10
    1    H1   GLY   1           HT1      GLY   1   2.789 -10.898   7.121
    2    H2   GLY   1           HT2      GLY   1   4.146 -11.900   7.014
    3    H3   GLY   1           HT3      GLY   1   4.258 -10.274   6.561
    4    HA2  GLY   1           HA1      GLY   1   3.741 -11.281   9.304
    5    HA3  GLY   1           HA2      GLY   1   5.269 -10.638   8.725
    6    H    ALA   2           HN       ALA   2   3.287  -9.766  10.847
    7    HA   ALA   2           HA       ALA   2   2.490  -7.146   9.836
    8    HB1  ALA   2           HB1      ALA   2   1.263  -6.910  11.925
    9    HB2  ALA   2           HB2      ALA   2   1.957  -8.418  12.520
   10    HB3  ALA   2           HB3      ALA   2   0.862  -8.435  11.137
   11    H    MET   3           HN       MET   3   5.234  -8.382  10.965
   12    HA   MET   3           HA       MET   3   6.085  -5.831  12.133
   13    HB2  MET   3           HB2      MET   3   5.677  -7.410  13.983
   14    HB3  MET   3           HB1      MET   3   6.760  -8.572  13.236
   15    HG2  MET   3           HG2      MET   3   7.761  -7.347  15.126
   16    HG3  MET   3           HG1      MET   3   8.644  -7.149  13.613
   17    HE1  MET   3           HE1      MET   3   9.973  -5.095  14.496
   18    HE2  MET   3           HE2      MET   3   9.190  -5.264  16.067
   19    HE3  MET   3           HE3      MET   3   9.236  -3.693  15.269
   20    H    GLU   4           HN       GLU   4   8.570  -5.748  12.163
   21    HA   GLU   4           HA       GLU   4  10.586  -5.849  11.108
   22    HB2  GLU   4           HB2      GLU   4   9.559  -8.427   9.915
   23    HB3  GLU   4           HB1      GLU   4  11.226  -7.885   9.908
   24    HG2  GLU   4           HG2      GLU   4  11.329  -8.095  12.314
   25    HG3  GLU   4           HG1      GLU   4   9.627  -8.562  12.360
   26    H    ARG   5           HN       ARG   5  11.348  -6.610   8.609
   27    HA   ARG   5           HA       ARG   5   9.609  -5.055   6.831
   28    HB2  ARG   5           HB2      ARG   5  12.478  -5.958   6.479
   29    HB3  ARG   5           HB1      ARG   5  11.566  -5.010   5.313
   30    HG2  ARG   5           HG2      ARG   5  11.414  -3.171   6.882
   31    HG3  ARG   5           HG1      ARG   5  12.244  -4.128   8.111
   32    HD2  ARG   5           HD2      ARG   5  13.403  -3.324   5.448
   33    HD3  ARG   5           HD1      ARG   5  13.740  -2.529   6.982
   34    HE   ARG   5           HE       ARG   5  14.565  -4.875   7.652
   35   HH11  ARG   5          HH11      ARG   5  14.835  -3.499   4.444
   36   HH12  ARG   5          HH12      ARG   5  16.279  -4.372   4.054
   37   HH21  ARG   5          HH21      ARG   5  16.473  -6.027   7.138
   38   HH22  ARG   5          HH22      ARG   5  17.219  -5.804   5.585
   39    H    GLU   6           HN       GLU   6   8.309  -6.188   5.528
   40    HA   GLU   6           HA       GLU   6   8.456  -9.015   5.325
   41    HB2  GLU   6           HB2      GLU   6   6.388  -7.558   5.128
   42    HB3  GLU   6           HB1      GLU   6   6.935  -7.131   3.515
   43    HG2  GLU   6           HG2      GLU   6   6.539  -9.251   2.679
   44    HG3  GLU   6           HG1      GLU   6   6.558  -9.995   4.278
   45    H    ASP   7           HN       ASP   7   8.979 -10.279   3.438
   46    HA   ASP   7           HA       ASP   7  10.995  -8.903   1.803
   47    HB2  ASP   7           HB2      ASP   7  10.865 -11.758   2.753
   48    HB3  ASP   7           HB1      ASP   7  11.946 -11.240   1.466
   49    H    GLU   8           HN       GLU   8   8.531  -8.572   0.887
   50    HA   GLU   8           HA       GLU   8   8.811  -9.682  -1.738
   51    HB2  GLU   8           HB2      GLU   8   7.501 -11.457  -0.595
   52    HB3  GLU   8           HB1      GLU   8   6.273 -10.262  -0.201
   53    HG2  GLU   8           HG2      GLU   8   5.960  -9.866  -2.634
   54    HG3  GLU   8           HG1      GLU   8   7.076 -11.196  -2.948
   55    H    CYS   9           HN       CYS   9   7.768  -8.411  -3.291
   56    HA   CYS   9           HA       CYS   9   6.942  -5.799  -2.357
   57    HB2  CYS   9           HB2      CYS   9   8.340  -5.936  -4.360
   58    HB3  CYS   9           HB1      CYS   9   7.138  -6.969  -5.139
   59    H    PHE  10           HN       PHE  10   4.897  -5.443  -1.779
   60    HA   PHE  10           HA       PHE  10   2.833  -7.315  -2.365
   61    HB2  PHE  10           HB2      PHE  10   2.979  -5.885  -0.293
   62    HB3  PHE  10           HB1      PHE  10   2.495  -4.509  -1.278
   63    HD1  PHE  10           HD1      PHE  10   0.270  -3.947  -1.273
   64    HD2  PHE  10           HD2      PHE  10   1.366  -7.997  -0.545
   65    HE1  PHE  10           HE1      PHE  10  -2.089  -4.516  -0.883
   66    HE2  PHE  10           HE2      PHE  10  -0.994  -8.568  -0.156
   67    HZ   PHE  10           HZ       PHE  10  -2.723  -6.827  -0.319
   68    H    SER  11           HN       SER  11   4.106  -4.657  -4.069
   69    HA   SER  11           HA       SER  11   1.745  -4.011  -5.558
   70    HB2  SER  11           HB2      SER  11   4.609  -3.408  -6.308
   71    HB3  SER  11           HB1      SER  11   3.159  -2.562  -6.848
   72    HG   SER  11           HG       SER  11   3.334  -1.353  -5.153
   73    H    CYS  12           HN       CYS  12   4.486  -6.191  -5.997
   74    HA   CYS  12           HA       CYS  12   3.463  -6.829  -8.690
   75    HB2  CYS  12           HB2      CYS  12   6.292  -7.160  -7.682
   76    HB3  CYS  12           HB1      CYS  12   5.728  -7.411  -9.334
   77    H    GLY  13           HN       GLY  13   4.412  -8.166  -5.607
   78    HA2  GLY  13           HA2      GLY  13   3.818 -10.296  -4.815
   79    HA3  GLY  13           HA1      GLY  13   3.469 -10.791  -6.468
   80    H    ASP  14           HN       ASP  14   6.367  -9.220  -6.478
   81    HA   ASP  14           HA       ASP  14   7.843 -11.757  -6.340
   82    HB2  ASP  14           HB2      ASP  14   8.238  -9.294  -8.023
   83    HB3  ASP  14           HB1      ASP  14   9.550 -10.437  -7.763
   84    H    ALA  15           HN       ALA  15  10.021 -11.688  -5.544
   85    HA   ALA  15           HA       ALA  15  10.440  -9.548  -3.570
   86    HB1  ALA  15           HB1      ALA  15   9.974 -11.714  -2.540
   87    HB2  ALA  15           HB2      ALA  15  11.616 -11.169  -2.198
   88    HB3  ALA  15           HB3      ALA  15  11.337 -12.418  -3.412
   89    H    GLY  16           HN       GLY  16  12.698  -9.022  -3.104
   90    HA2  GLY  16           HA2      GLY  16  14.994  -9.720  -4.256
   91    HA3  GLY  16           HA1      GLY  16  14.190  -8.912  -5.593
   92    H    GLN  17           HN       GLN  17  14.900  -6.903  -5.839
   93    HA   GLN  17           HA       GLN  17  16.173  -5.467  -3.708
   94    HB2  GLN  17           HB2      GLN  17  16.911  -5.288  -6.066
   95    HB3  GLN  17           HB1      GLN  17  15.388  -4.506  -6.464
   96    HG2  GLN  17           HG2      GLN  17  15.934  -2.666  -4.964
   97    HG3  GLN  17           HG1      GLN  17  17.457  -3.452  -4.552
   98   HE21  GLN  17          HE21      GLN  17  15.701  -1.692  -6.968
   99   HE22  GLN  17          HE22      GLN  17  17.055  -1.361  -7.996
  100    H    LEU  18           HN       LEU  18  14.718  -5.031  -2.115
  101    HA   LEU  18           HA       LEU  18  12.284  -3.584  -2.894
  102    HB2  LEU  18           HB2      LEU  18  12.769  -5.337  -0.488
  103    HB3  LEU  18           HB1      LEU  18  11.268  -4.508  -0.863
  104    HG   LEU  18           HG       LEU  18  12.465  -6.515  -2.743
  105   HD11  LEU  18          HD11      LEU  18  10.987  -8.188  -1.804
  106   HD12  LEU  18          HD12      LEU  18  10.448  -7.049  -0.575
  107   HD13  LEU  18          HD13      LEU  18  12.116  -7.614  -0.581
  108   HD21  LEU  18          HD21      LEU  18  10.784  -4.989  -3.629
  109   HD22  LEU  18          HD22      LEU  18   9.668  -5.490  -2.360
  110   HD23  LEU  18          HD23      LEU  18  10.197  -6.650  -3.577
  111    H    VAL  19           HN       VAL  19  11.752  -1.732  -1.904
  112    HA   VAL  19           HA       VAL  19  13.589  -0.667   0.133
  113    HB   VAL  19           HB       VAL  19  13.661   0.717  -1.839
  114   HG11  VAL  19          HG11      VAL  19  10.656   0.846  -1.647
  115   HG12  VAL  19          HG12      VAL  19  11.612   0.102  -2.930
  116   HG13  VAL  19          HG13      VAL  19  11.640   1.851  -2.711
  117   HG21  VAL  19          HG21      VAL  19  12.898   2.876  -0.941
  118   HG22  VAL  19          HG22      VAL  19  13.747   1.909   0.264
  119   HG23  VAL  19          HG23      VAL  19  11.988   2.020   0.305
  120    H    SER  20           HN       SER  20  12.765  -0.163   2.091
  121    HA   SER  20           HA       SER  20   9.944  -0.872   2.459
  122    HB2  SER  20           HB2      SER  20  11.725  -2.228   3.617
  123    HB3  SER  20           HB1      SER  20  12.098  -0.797   4.576
  124    HG   SER  20           HG       SER  20   9.582  -2.125   4.457
  125    H    CYS  21           HN       CYS  21   8.810   0.169   4.219
  126    HA   CYS  21           HA       CYS  21   8.820   3.004   3.927
  127    HB2  CYS  21           HB2      CYS  21   6.873   1.324   4.357
  128    HB3  CYS  21           HB1      CYS  21   7.323   1.492   6.053
  129    H    LYS  22           HN       LYS  22   9.430   4.575   5.429
  130    HA   LYS  22           HA       LYS  22  11.422   3.671   7.344
  131    HB2  LYS  22           HB2      LYS  22  11.788   5.531   5.645
  132    HB3  LYS  22           HB1      LYS  22  10.720   6.517   6.634
  133    HG2  LYS  22           HG2      LYS  22  12.239   6.292   8.520
  134    HG3  LYS  22           HG1      LYS  22  13.306   5.276   7.551
  135    HD2  LYS  22           HD2      LYS  22  13.627   7.142   5.984
  136    HD3  LYS  22           HD1      LYS  22  12.592   8.153   6.994
  137    HE2  LYS  22           HE2      LYS  22  15.184   6.878   7.855
  138    HE3  LYS  22           HE1      LYS  22  14.973   8.569   7.410
  139    HZ1  LYS  22           HZ1      LYS  22  14.947   8.290   9.799
  140    HZ2  LYS  22           HZ2      LYS  22  13.660   7.202   9.694
  141    HZ3  LYS  22           HZ3      LYS  22  13.435   8.817   9.257
  142    H    LYS  23           HN       LYS  23   8.359   3.638   7.659
  143    HA   LYS  23           HA       LYS  23   8.259   5.033  10.241
  144    HB2  LYS  23           HB2      LYS  23   6.574   5.822   8.627
  145    HB3  LYS  23           HB1      LYS  23   5.964   4.180   8.469
  146    HG2  LYS  23           HG2      LYS  23   5.375   4.198  10.864
  147    HG3  LYS  23           HG1      LYS  23   5.906   5.875  10.956
  148    HD2  LYS  23           HD2      LYS  23   3.653   4.789   9.269
  149    HD3  LYS  23           HD1      LYS  23   3.498   5.773  10.724
  150    HE2  LYS  23           HE2      LYS  23   4.642   7.621   9.593
  151    HE3  LYS  23           HE1      LYS  23   4.791   6.641   8.137
  152    HZ1  LYS  23           HZ1      LYS  23   2.312   6.498   8.155
  153    HZ2  LYS  23           HZ2      LYS  23   2.941   8.038   7.840
  154    HZ3  LYS  23           HZ3      LYS  23   2.307   7.675   9.371
  155    HA   PRO  24           HA       PRO  24   8.260   0.895  12.070
  156    HB2  PRO  24           HB2      PRO  24   7.379   2.548  14.382
  157    HB3  PRO  24           HB1      PRO  24   8.659   1.334  14.295
  158    HG2  PRO  24           HG2      PRO  24   9.256   3.923  14.378
  159    HG3  PRO  24           HG1      PRO  24  10.176   2.808  13.348
  160    HD2  PRO  24           HD2      PRO  24   8.063   4.789  12.582
  161    HD3  PRO  24           HD1      PRO  24   9.552   4.337  11.723
  162    H    GLY  25           HN       GLY  25   6.594  -0.517  12.282
  163    HA2  GLY  25           HA2      GLY  25   4.353  -1.087  12.926
  164    HA3  GLY  25           HA1      GLY  25   3.883   0.584  12.613
  165    H    CYS  26           HN       CYS  26   5.612   0.407  10.101
  166    HA   CYS  26           HA       CYS  26   3.596  -0.903   8.411
  167    HB2  CYS  26           HB2      CYS  26   4.292   1.566   8.134
  168    HB3  CYS  26           HB1      CYS  26   5.809   0.937   7.497
  169    HA   PRO  27           HA       PRO  27   6.996  -3.855   7.962
  170    HB2  PRO  27           HB2      PRO  27   5.507  -6.054   7.691
  171    HB3  PRO  27           HB1      PRO  27   5.625  -5.234   9.254
  172    HG2  PRO  27           HG2      PRO  27   3.411  -5.196   7.248
  173    HG3  PRO  27           HG1      PRO  27   3.322  -5.205   9.024
  174    HD2  PRO  27           HD2      PRO  27   3.096  -2.941   7.372
  175    HD3  PRO  27           HD1      PRO  27   3.393  -2.936   9.125
  176    H    LYS  28           HN       LYS  28   5.071  -2.489   5.715
  177    HA   LYS  28           HA       LYS  28   5.191  -4.551   3.695
  178    HB2  LYS  28           HB2      LYS  28   3.478  -2.398   4.209
  179    HB3  LYS  28           HB1      LYS  28   4.315  -1.960   2.722
  180    HG2  LYS  28           HG2      LYS  28   2.187  -3.165   2.330
  181    HG3  LYS  28           HG1      LYS  28   3.594  -3.985   1.647
  182    HD2  LYS  28           HD2      LYS  28   3.639  -5.542   3.506
  183    HD3  LYS  28           HD1      LYS  28   2.329  -4.670   4.302
  184    HE2  LYS  28           HE2      LYS  28   0.766  -5.340   2.681
  185    HE3  LYS  28           HE1      LYS  28   2.026  -5.875   1.570
  186    HZ1  LYS  28           HZ1      LYS  28   0.923  -7.733   2.678
  187    HZ2  LYS  28           HZ2      LYS  28   1.406  -7.134   4.185
  188    HZ3  LYS  28           HZ3      LYS  28   2.571  -7.669   3.074
  189    H    VAL  29           HN       VAL  29   6.122  -4.275   1.610
  190    HA   VAL  29           HA       VAL  29   8.242  -2.284   1.375
  191    HB   VAL  29           HB       VAL  29   9.045  -4.423   2.589
  192   HG11  VAL  29          HG11      VAL  29   8.982  -5.432  -0.237
  193   HG12  VAL  29          HG12      VAL  29   8.043  -6.048   1.122
  194   HG13  VAL  29          HG13      VAL  29   9.799  -6.212   1.117
  195   HG21  VAL  29          HG21      VAL  29  10.603  -2.797   1.937
  196   HG22  VAL  29          HG22      VAL  29  10.446  -3.220   0.236
  197   HG23  VAL  29          HG23      VAL  29  11.218  -4.343   1.357
  198    H    TYR  30           HN       TYR  30   9.095  -2.137  -0.803
  199    HA   TYR  30           HA       TYR  30   7.589  -3.502  -2.909
  200    HB2  TYR  30           HB2      TYR  30   7.695  -0.489  -2.930
  201    HB3  TYR  30           HB1      TYR  30   6.653  -1.555  -3.867
  202    HD1  TYR  30           HD1      TYR  30   4.726  -2.696  -2.717
  203    HD2  TYR  30           HD2      TYR  30   7.027   0.335  -0.815
  204    HE1  TYR  30           HE1      TYR  30   2.939  -2.383  -1.057
  205    HE2  TYR  30           HE2      TYR  30   5.250   0.647   0.848
  206    HH   TYR  30           HH       TYR  30   2.823   0.264   1.043
  207    H    HIS  31           HN       HIS  31   8.468  -2.810  -5.100
  208    HA   HIS  31           HA       HIS  31  11.354  -2.538  -4.991
  209    HB2  HIS  31           HB2      HIS  31   9.549  -2.585  -7.430
  210    HB3  HIS  31           HB1      HIS  31  11.304  -2.751  -7.429
  211    HD2  HIS  31           HD2      HIS  31  12.019  -5.157  -5.749
  212    HE1  HIS  31           HE1      HIS  31   8.631  -7.138  -7.322
  213    HE2  HIS  31           HE2      HIS  31  10.975  -7.444  -6.396
  214    H    ALA  32           HN       ALA  32  12.505  -0.754  -5.602
  215    HA   ALA  32           HA       ALA  32  11.278   1.771  -5.406
  216    HB1  ALA  32           HB1      ALA  32  13.995   1.066  -6.503
  217    HB2  ALA  32           HB2      ALA  32  13.614   1.379  -4.809
  218    HB3  ALA  32           HB3      ALA  32  13.463   2.671  -5.999
  219    H    ASP  33           HN       ASP  33  12.086  -0.302  -8.090
  220    HA   ASP  33           HA       ASP  33  11.776   1.634 -10.131
  221    HB2  ASP  33           HB2      ASP  33  12.993  -0.451 -10.531
  222    HB3  ASP  33           HB1      ASP  33  11.504  -1.368 -10.332
  223    H    CYS  34           HN       CYS  34   9.475  -0.737  -8.756
  224    HA   CYS  34           HA       CYS  34   7.438   0.001 -10.628
  225    HB2  CYS  34           HB2      CYS  34   5.926  -1.358  -9.094
  226    HB3  CYS  34           HB1      CYS  34   7.295  -2.231  -9.771
  227    H    LEU  35           HN       LEU  35   8.569   1.271  -7.673
  228    HA   LEU  35           HA       LEU  35   6.199   2.867  -7.184
  229    HB2  LEU  35           HB2      LEU  35   8.944   2.890  -5.942
  230    HB3  LEU  35           HB1      LEU  35   7.626   3.924  -5.432
  231    HG   LEU  35           HG       LEU  35   7.534   0.912  -5.329
  232   HD11  LEU  35          HD11      LEU  35   8.366   2.969  -3.320
  233   HD12  LEU  35          HD12      LEU  35   9.202   1.492  -3.800
  234   HD13  LEU  35          HD13      LEU  35   7.733   1.403  -2.829
  235   HD21  LEU  35          HD21      LEU  35   5.640   1.341  -3.800
  236   HD22  LEU  35          HD22      LEU  35   5.338   1.922  -5.436
  237   HD23  LEU  35          HD23      LEU  35   5.773   3.060  -4.162
  238    H    ASN  36           HN       ASN  36   8.674   2.967  -9.333
  239    HA   ASN  36           HA       ASN  36   9.587   4.482 -10.728
  240    HB2  ASN  36           HB2      ASN  36   7.109   4.976 -11.054
  241    HB3  ASN  36           HB1      ASN  36   7.336   6.342  -9.971
  242   HD21  ASN  36          HD21      ASN  36   8.197   8.198 -10.760
  243   HD22  ASN  36          HD22      ASN  36   8.729   8.407 -12.391
  244    H    LEU  37           HN       LEU  37  10.649   4.376  -8.184
  245    HA   LEU  37           HA       LEU  37  11.071   7.074  -7.243
  246    HB2  LEU  37           HB2      LEU  37  12.289   4.440  -6.441
  247    HB3  LEU  37           HB1      LEU  37  12.721   5.969  -5.702
  248    HG   LEU  37           HG       LEU  37  10.006   4.646  -5.614
  249   HD11  LEU  37          HD11      LEU  37  11.718   3.602  -4.186
  250   HD12  LEU  37          HD12      LEU  37  10.450   4.386  -3.246
  251   HD13  LEU  37          HD13      LEU  37  12.019   5.166  -3.431
  252   HD21  LEU  37          HD21      LEU  37   9.784   7.070  -5.704
  253   HD22  LEU  37          HD22      LEU  37  10.939   7.233  -4.380
  254   HD23  LEU  37          HD23      LEU  37   9.379   6.459  -4.101
  255    H    THR  38           HN       THR  38  11.877   7.850  -9.326
  256    HA   THR  38           HA       THR  38  14.383   7.022 -10.351
  257    HB   THR  38           HB       THR  38  13.142   9.768 -10.593
  258    HG1  THR  38           HG1      THR  38  12.348   7.300 -11.573
  259   HG21  THR  38          HG21      THR  38  14.936   8.202 -12.452
  260   HG22  THR  38          HG22      THR  38  15.440   9.557 -11.442
  261   HG23  THR  38          HG23      THR  38  14.287   9.814 -12.750
  262    H    LYS  39           HN       LYS  39  13.374   9.283  -7.893
  263    HA   LYS  39           HA       LYS  39  16.160   9.971  -7.295
  264    HB2  LYS  39           HB2      LYS  39  13.593  11.144  -6.193
  265    HB3  LYS  39           HB1      LYS  39  15.214  11.682  -5.788
  266    HG2  LYS  39           HG2      LYS  39  13.979  11.818  -8.534
  267    HG3  LYS  39           HG1      LYS  39  14.097  13.162  -7.396
  268    HD2  LYS  39           HD2      LYS  39  16.599  12.791  -7.419
  269    HD3  LYS  39           HD1      LYS  39  16.339  11.688  -8.770
  270    HE2  LYS  39           HE2      LYS  39  15.608  14.617  -8.687
  271    HE3  LYS  39           HE1      LYS  39  16.955  13.903  -9.569
  272    HZ1  LYS  39           HZ1      LYS  39  15.392  12.691 -10.934
  273    HZ2  LYS  39           HZ2      LYS  39  15.053  14.345 -11.002
  274    HZ3  LYS  39           HZ3      LYS  39  14.083  13.324 -10.068
  275    H    ARG  40           HN       ARG  40  16.967   9.637  -5.165
  276    HA   ARG  40           HA       ARG  40  15.665   7.439  -3.770
  277    HB2  ARG  40           HB2      ARG  40  18.392   8.693  -3.493
  278    HB3  ARG  40           HB1      ARG  40  17.792   7.456  -2.393
  279    HG2  ARG  40           HG2      ARG  40  17.561   5.900  -4.244
  280    HG3  ARG  40           HG1      ARG  40  18.115   7.141  -5.370
  281    HD2  ARG  40           HD2      ARG  40  19.912   5.588  -4.801
  282    HD3  ARG  40           HD1      ARG  40  20.270   7.218  -4.240
  283    HE   ARG  40           HE       ARG  40  19.792   6.500  -2.004
  284   HH11  ARG  40          HH11      ARG  40  19.934   3.915  -4.361
  285   HH12  ARG  40          HH12      ARG  40  20.312   2.695  -3.189
  286   HH21  ARG  40          HH21      ARG  40  20.270   4.887  -0.452
  287   HH22  ARG  40          HH22      ARG  40  20.486   3.244  -0.964
  288    HA   PRO  41           HA       PRO  41  13.862  10.489  -1.078
  289    HB2  PRO  41           HB2      PRO  41  12.513   8.762   0.517
  290    HB3  PRO  41           HB1      PRO  41  11.960   9.214  -1.098
  291    HG2  PRO  41           HG2      PRO  41  13.416   6.759  -0.204
  292    HG3  PRO  41           HG1      PRO  41  12.062   6.908  -1.343
  293    HD2  PRO  41           HD2      PRO  41  14.643   6.621  -2.157
  294    HD3  PRO  41           HD1      PRO  41  13.441   7.531  -3.096
  295    H    ALA  42           HN       ALA  42  14.659  11.455   0.663
  296    HA   ALA  42           HA       ALA  42  15.966   9.862   2.746
  297    HB1  ALA  42           HB1      ALA  42  17.732  10.709   1.283
  298    HB2  ALA  42           HB2      ALA  42  17.807  11.469   2.871
  299    HB3  ALA  42           HB3      ALA  42  17.132  12.351   1.502
  300    H    GLY  43           HN       GLY  43  15.273  10.425   4.732
  301    HA2  GLY  43           HA2      GLY  43  14.794  12.281   6.301
  302    HA3  GLY  43           HA1      GLY  43  13.877  13.019   4.992
  303    H    LYS  44           HN       LYS  44  11.767  12.565   4.817
  304    HA   LYS  44           HA       LYS  44  10.749  10.216   6.274
  305    HB2  LYS  44           HB2      LYS  44   9.380  12.893   5.942
  306    HB3  LYS  44           HB1      LYS  44   8.662  11.472   6.686
  307    HG2  LYS  44           HG2      LYS  44  10.472  11.547   8.399
  308    HG3  LYS  44           HG1      LYS  44  10.993  13.081   7.702
  309    HD2  LYS  44           HD2      LYS  44   8.259  12.508   8.846
  310    HD3  LYS  44           HD1      LYS  44   9.543  13.402   9.660
  311    HE2  LYS  44           HE2      LYS  44   9.475  15.118   7.957
  312    HE3  LYS  44           HE1      LYS  44   8.280  14.201   7.042
  313    HZ1  LYS  44           HZ1      LYS  44   7.287  15.992   8.353
  314    HZ2  LYS  44           HZ2      LYS  44   7.859  15.279   9.773
  315    HZ3  LYS  44           HZ3      LYS  44   6.712  14.476   8.828
  316    H    TRP  45           HN       TRP  45  10.257   8.782   4.738
  317    HA   TRP  45           HA       TRP  45   8.812   9.755   2.383
  318    HB2  TRP  45           HB2      TRP  45  10.916   8.743   1.728
  319    HB3  TRP  45           HB1      TRP  45  10.546   7.296   2.663
  320    HD1  TRP  45           HD1      TRP  45   9.068   9.227  -0.362
  321    HE1  TRP  45           HE1      TRP  45   8.023   7.520  -1.972
  322    HE3  TRP  45           HE3      TRP  45   9.868   4.966   2.353
  323    HZ2  TRP  45           HZ2      TRP  45   7.592   4.737  -2.079
  324    HZ3  TRP  45           HZ3      TRP  45   9.107   2.818   1.417
  325    HH2  TRP  45           HH2      TRP  45   7.995   2.707  -0.748
  326    H    GLU  46           HN       GLU  46   6.725   9.450   2.622
  327    HA   GLU  46           HA       GLU  46   5.682   7.229   4.155
  328    HB2  GLU  46           HB2      GLU  46   4.294   9.394   2.558
  329    HB3  GLU  46           HB1      GLU  46   3.473   8.202   3.556
  330    HG2  GLU  46           HG2      GLU  46   5.472  10.194   4.594
  331    HG3  GLU  46           HG1      GLU  46   3.725  10.425   4.618
  332    H    CYS  47           HN       CYS  47   5.368   5.264   3.240
  333    HA   CYS  47           HA       CYS  47   5.572   4.770   0.480
  334    HB2  CYS  47           HB2      CYS  47   4.908   2.532   0.935
  335    HB3  CYS  47           HB1      CYS  47   5.808   3.047   2.353
  336    HA   PRO  48           HA       PRO  48   1.785   6.245  -1.142
  337    HB2  PRO  48           HB2      PRO  48   1.258   4.353  -3.074
  338    HB3  PRO  48           HB1      PRO  48   2.423   5.671  -3.257
  339    HG2  PRO  48           HG2      PRO  48   2.894   2.814  -2.499
  340    HG3  PRO  48           HG1      PRO  48   3.820   3.848  -3.603
  341    HD2  PRO  48           HD2      PRO  48   4.674   3.360  -1.112
  342    HD3  PRO  48           HD1      PRO  48   4.893   4.959  -1.854
  343    H    TRP  49           HN       TRP  49   1.951   3.297   0.466
  344    HA   TRP  49           HA       TRP  49  -0.834   2.577   0.242
  345    HB2  TRP  49           HB2      TRP  49   1.284   1.080   0.777
  346    HB3  TRP  49           HB1      TRP  49   0.959   1.588   2.436
  347    HD1  TRP  49           HD1      TRP  49  -1.785   0.658  -0.130
  348    HE1  TRP  49           HE1      TRP  49  -3.038  -1.419   0.752
  349    HE3  TRP  49           HE3      TRP  49   1.081  -0.335   3.999
  350    HZ2  TRP  49           HZ2      TRP  49  -2.842  -3.218   2.912
  351    HZ3  TRP  49           HZ3      TRP  49   0.478  -2.248   5.419
  352    HH2  TRP  49           HH2      TRP  49  -1.445  -3.665   4.883
  353    H    HIS  50           HN       HIS  50   0.908   4.929   1.901
  354    HA   HIS  50           HA       HIS  50  -1.259   5.260   3.870
  355    HB2  HIS  50           HB2      HIS  50   1.339   6.807   3.717
  356    HB3  HIS  50           HB1      HIS  50   0.151   6.853   5.020
  357    HD1  HIS  50           HD1      HIS  50   0.024   3.530   4.971
  358    HD2  HIS  50           HD2      HIS  50   3.278   6.055   5.522
  359    HE1  HIS  50           HE1      HIS  50   1.795   2.167   6.174
  360    H    GLN  51           HN       GLN  51  -0.876   5.944   0.821
  361    HA   GLN  51           HA       GLN  51  -1.715   8.752   1.067
  362    HB2  GLN  51           HB2      GLN  51  -0.148   7.517  -1.203
  363    HB3  GLN  51           HB1      GLN  51  -0.718   9.180  -1.136
  364    HG2  GLN  51           HG2      GLN  51   1.157   7.983   0.879
  365    HG3  GLN  51           HG1      GLN  51   1.690   8.848  -0.559
  366   HE21  GLN  51          HE21      GLN  51   0.087   9.146   2.545
  367   HE22  GLN  51          HE22      GLN  51   0.247  10.861   2.666
  368    H    CYS  52           HN       CYS  52  -3.599   9.247   0.300
  369    HA   CYS  52           HA       CYS  52  -5.384   7.286  -0.686
  370    HB2  CYS  52           HB2      CYS  52  -6.098   9.233   0.624
  371    HB3  CYS  52           HB1      CYS  52  -5.564  10.304  -0.660
  372    H    ASP  53           HN       ASP  53  -5.682   6.601  -2.710
  373    HA   ASP  53           HA       ASP  53  -3.999   7.456  -4.804
  374    HB2  ASP  53           HB2      ASP  53  -4.999   5.174  -4.631
  375    HB3  ASP  53           HB1      ASP  53  -6.562   5.861  -5.068
  376    H    VAL  54           HN       VAL  54  -6.999   8.689  -3.696
  377    HA   VAL  54           HA       VAL  54  -7.710   9.830  -6.264
  378    HB   VAL  54           HB       VAL  54  -9.054  10.140  -3.578
  379   HG11  VAL  54          HG11      VAL  54  -9.946  10.992  -6.326
  380   HG12  VAL  54          HG12      VAL  54  -9.508  12.055  -4.987
  381   HG13  VAL  54          HG13      VAL  54 -10.943  11.034  -4.871
  382   HG21  VAL  54          HG21      VAL  54 -10.760   8.654  -4.566
  383   HG22  VAL  54          HG22      VAL  54  -9.192   7.866  -4.392
  384   HG23  VAL  54          HG23      VAL  54  -9.722   8.437  -5.975
  385    H    CYS  55           HN       CYS  55  -6.884  11.136  -3.016
  386    HA   CYS  55           HA       CYS  55  -6.529  13.723  -4.346
  387    HB2  CYS  55           HB2      CYS  55  -6.720  14.749  -2.111
  388    HB3  CYS  55           HB1      CYS  55  -8.138  13.820  -2.570
  389    H    GLY  56           HN       GLY  56  -4.682  11.212  -3.041
  390    HA2  GLY  56           HA2      GLY  56  -2.381  11.021  -2.981
  391    HA3  GLY  56           HA1      GLY  56  -2.271  12.699  -3.500
  392    H    LYS  57           HN       LYS  57  -4.274  12.444  -0.831
  393    HA   LYS  57           HA       LYS  57  -2.146  13.464   0.883
  394    HB2  LYS  57           HB2      LYS  57  -5.136  13.491   1.306
  395    HB3  LYS  57           HB1      LYS  57  -3.942  14.306   2.308
  396    HG2  LYS  57           HG2      LYS  57  -3.320  15.731   0.445
  397    HG3  LYS  57           HG1      LYS  57  -4.477  14.897  -0.596
  398    HD2  LYS  57           HD2      LYS  57  -6.304  15.627   0.861
  399    HD3  LYS  57           HD1      LYS  57  -5.143  16.467   1.891
  400    HE2  LYS  57           HE2      LYS  57  -4.486  17.850  -0.052
  401    HE3  LYS  57           HE1      LYS  57  -5.741  17.061  -1.004
  402    HZ1  LYS  57           HZ1      LYS  57  -7.394  17.919   0.531
  403    HZ2  LYS  57           HZ2      LYS  57  -6.487  19.184  -0.126
  404    HZ3  LYS  57           HZ3      LYS  57  -6.189  18.664   1.453
  405    H    GLU  58           HN       GLU  58  -3.136  12.953   3.360
  406    HA   GLU  58           HA       GLU  58  -2.113  10.421   3.909
  407    HB2  GLU  58           HB2      GLU  58  -2.189  12.277   5.526
  408    HB3  GLU  58           HB1      GLU  58  -3.937  12.135   5.603
  409    HG2  GLU  58           HG2      GLU  58  -3.711   9.886   6.540
  410    HG3  GLU  58           HG1      GLU  58  -1.956  10.044   6.473
  411    H    ALA  59           HN       ALA  59  -2.955   8.473   3.707
  412    HA   ALA  59           HA       ALA  59  -5.785   8.126   3.167
  413    HB1  ALA  59           HB1      ALA  59  -3.533   6.124   3.252
  414    HB2  ALA  59           HB2      ALA  59  -4.178   6.908   1.809
  415    HB3  ALA  59           HB3      ALA  59  -5.185   5.794   2.729
  416    H    ALA  60           HN       ALA  60  -7.115   6.685   4.338
  417    HA   ALA  60           HA       ALA  60  -6.262   6.272   7.121
  418    HB1  ALA  60           HB1      ALA  60  -8.059   7.915   6.918
  419    HB2  ALA  60           HB2      ALA  60  -8.597   6.470   7.771
  420    HB3  ALA  60           HB3      ALA  60  -9.058   6.721   6.087
  421    H    SER  61           HN       SER  61  -7.944   4.911   4.351
  422    HA   SER  61           HA       SER  61  -7.930   2.316   5.716
  423    HB2  SER  61           HB2      SER  61  -9.779   1.713   4.156
  424    HB3  SER  61           HB1      SER  61 -10.188   3.043   5.233
  425    HG   SER  61           HG       SER  61 -10.514   3.114   2.736
  426    H    PHE  62           HN       PHE  62  -7.212   0.509   4.563
  427    HA   PHE  62           HA       PHE  62  -5.560   1.164   2.211
  428    HB2  PHE  62           HB2      PHE  62  -4.720  -0.913   4.215
  429    HB3  PHE  62           HB1      PHE  62  -3.713   0.060   3.136
  430    HD1  PHE  62           HD1      PHE  62  -4.867  -0.372   6.441
  431    HD2  PHE  62           HD2      PHE  62  -3.652   2.625   3.675
  432    HE1  PHE  62           HE1      PHE  62  -4.444   1.176   8.304
  433    HE2  PHE  62           HE2      PHE  62  -3.228   4.175   5.531
  434    HZ   PHE  62           HZ       PHE  62  -3.618   3.451   7.852
  435    H    CYS  63           HN       CYS  63  -5.990  -0.137   0.470
  436    HA   CYS  63           HA       CYS  63  -7.698  -2.404   0.675
  437    HB2  CYS  63           HB2      CYS  63  -7.325  -1.058  -1.450
  438    HB3  CYS  63           HB1      CYS  63  -5.769  -1.870  -1.596
  439    H    GLU  64           HN       GLU  64  -7.219  -4.376   1.349
  440    HA   GLU  64           HA       GLU  64  -4.440  -4.981   1.984
  441    HB2  GLU  64           HB2      GLU  64  -6.945  -6.552   2.588
  442    HB3  GLU  64           HB1      GLU  64  -5.347  -6.861   3.249
  443    HG2  GLU  64           HG2      GLU  64  -5.385  -4.745   4.424
  444    HG3  GLU  64           HG1      GLU  64  -6.937  -4.341   3.695
  445    H    MET  65           HN       MET  65  -5.791  -5.055  -0.768
  446    HA   MET  65           HA       MET  65  -4.716  -7.689  -1.516
  447    HB2  MET  65           HB2      MET  65  -7.110  -6.287  -2.724
  448    HB3  MET  65           HB1      MET  65  -6.406  -7.794  -3.315
  449    HG2  MET  65           HG2      MET  65  -6.996  -8.929  -1.276
  450    HG3  MET  65           HG1      MET  65  -7.565  -7.422  -0.557
  451    HE1  MET  65           HE1      MET  65  -8.175 -10.128  -3.324
  452    HE2  MET  65           HE2      MET  65  -8.123  -8.645  -4.279
  453    HE3  MET  65           HE3      MET  65  -9.638  -9.530  -4.106
  454    H    CYS  66           HN       CYS  66  -4.297  -4.409  -1.768
  455    HA   CYS  66           HA       CYS  66  -2.261  -4.686  -3.711
  456    HB2  CYS  66           HB2      CYS  66  -3.123  -3.419  -5.532
  457    HB3  CYS  66           HB1      CYS  66  -4.376  -4.592  -5.148
  458    HA   PRO  67           HA       PRO  67  -0.855  -1.085  -1.565
  459    HB2  PRO  67           HB2      PRO  67   0.313   0.003  -4.042
  460    HB3  PRO  67           HB1      PRO  67   1.122  -0.565  -2.579
  461    HG2  PRO  67           HG2      PRO  67   1.250  -1.959  -4.848
  462    HG3  PRO  67           HG1      PRO  67   1.105  -2.777  -3.278
  463    HD2  PRO  67           HD2      PRO  67  -1.057  -2.181  -5.296
  464    HD3  PRO  67           HD1      PRO  67  -0.712  -3.706  -4.437
  465    H    SER  68           HN       SER  68  -3.518  -0.782  -3.056
  466    HA   SER  68           HA       SER  68  -3.457   2.107  -3.520
  467    HB2  SER  68           HB2      SER  68  -5.725   0.152  -3.988
  468    HB3  SER  68           HB1      SER  68  -5.662   1.835  -4.510
  469    HG   SER  68           HG       SER  68  -4.966  -0.111  -5.966
  470    H    SER  69           HN       SER  69  -4.123   3.481  -2.005
  471    HA   SER  69           HA       SER  69  -5.878   2.485   0.134
  472    HB2  SER  69           HB2      SER  69  -4.527   4.137   1.605
  473    HB3  SER  69           HB1      SER  69  -3.790   2.582   1.209
  474    HG   SER  69           HG       SER  69  -3.345   4.971  -0.272
  475    H    PHE  70           HN       PHE  70  -7.075   4.227   1.281
  476    HA   PHE  70           HA       PHE  70  -7.451   6.631  -0.366
  477    HB2  PHE  70           HB2      PHE  70  -9.715   4.862   0.595
  478    HB3  PHE  70           HB1      PHE  70  -9.885   6.378  -0.292
  479    HD1  PHE  70           HD1      PHE  70  -9.011   6.493  -2.653
  480    HD2  PHE  70           HD2      PHE  70  -9.436   2.833  -0.524
  481    HE1  PHE  70           HE1      PHE  70  -8.953   5.253  -4.778
  482    HE2  PHE  70           HE2      PHE  70  -9.378   1.586  -2.643
  483    HZ   PHE  70           HZ       PHE  70  -9.131   2.797  -4.775
  484    H    CYS  71           HN       CYS  71  -8.385   8.405   0.757
  485    HA   CYS  71           HA       CYS  71  -7.869   8.395   3.598
  486    HB2  CYS  71           HB2      CYS  71  -8.320  10.768   3.525
  487    HB3  CYS  71           HB1      CYS  71  -7.326  10.357   2.130
  488    H    LYS  72           HN       LYS  72  -9.646   9.528   5.021
  489    HA   LYS  72           HA       LYS  72 -11.834   7.791   5.147
  490    HB2  LYS  72           HB2      LYS  72 -11.424  10.515   6.363
  491    HB3  LYS  72           HB1      LYS  72 -12.832   9.517   6.706
  492    HG2  LYS  72           HG2      LYS  72 -11.353   7.745   7.538
  493    HG3  LYS  72           HG1      LYS  72  -9.962   8.783   7.234
  494    HD2  LYS  72           HD2      LYS  72 -10.829  10.416   8.831
  495    HD3  LYS  72           HD1      LYS  72 -12.229   9.382   9.128
  496    HE2  LYS  72           HE2      LYS  72 -10.777   7.625   9.964
  497    HE3  LYS  72           HE1      LYS  72  -9.357   8.611   9.620
  498    HZ1  LYS  72           HZ1      LYS  72 -11.491   9.228  11.587
  499    HZ2  LYS  72           HZ2      LYS  72 -10.192  10.246  11.220
  500    HZ3  LYS  72           HZ3      LYS  72  -9.906   8.744  11.939
  501    H    GLN  73           HN       GLN  73 -11.421  10.764   3.416
  502    HA   GLN  73           HA       GLN  73 -14.189  11.202   2.866
  503    HB2  GLN  73           HB2      GLN  73 -11.624  12.363   1.895
  504    HB3  GLN  73           HB1      GLN  73 -13.089  12.654   0.970
  505    HG2  GLN  73           HG2      GLN  73 -12.786  13.284   3.899
  506    HG3  GLN  73           HG1      GLN  73 -12.522  14.444   2.596
  507   HE21  GLN  73          HE21      GLN  73 -14.874  12.626   4.393
  508   HE22  GLN  73          HE22      GLN  73 -16.270  13.437   3.771
  509    H    HIS  74           HN       HIS  74 -11.510   9.715   1.091
  510    HA   HIS  74           HA       HIS  74 -13.338   9.265  -1.155
  511    HB2  HIS  74           HB2      HIS  74 -10.321   9.186  -1.037
  512    HB3  HIS  74           HB1      HIS  74 -11.275   8.814  -2.478
  513    HD2  HIS  74           HD2      HIS  74 -13.363  11.293  -2.305
  514    HE1  HIS  74           HE1      HIS  74  -9.876  13.673  -2.309
  515    HE2  HIS  74           HE2      HIS  74 -12.355  13.626  -2.819
  516    H    ARG  75           HN       ARG  75 -12.743   7.542   1.435
  517    HA   ARG  75           HA       ARG  75 -12.187   5.020   0.131
  518    HB2  ARG  75           HB2      ARG  75 -12.506   4.003   2.336
  519    HB3  ARG  75           HB1      ARG  75 -11.350   5.325   2.386
  520    HG2  ARG  75           HG2      ARG  75 -13.123   6.788   3.284
  521    HG3  ARG  75           HG1      ARG  75 -14.210   5.400   3.308
  522    HD2  ARG  75           HD2      ARG  75 -12.735   4.240   4.847
  523    HD3  ARG  75           HD1      ARG  75 -11.578   5.565   4.781
  524    HE   ARG  75           HE       ARG  75 -13.936   6.705   5.603
  525   HH11  ARG  75          HH11      ARG  75 -11.896   4.104   6.763
  526   HH12  ARG  75          HH12      ARG  75 -12.278   4.376   8.431
  527   HH21  ARG  75          HH21      ARG  75 -14.444   7.074   7.786
  528   HH22  ARG  75          HH22      ARG  75 -13.741   6.072   9.018
  529    H    GLU  76           HN       GLU  76 -14.889   6.959   0.738
  530    HA   GLU  76           HA       GLU  76 -16.879   4.980   1.049
  531    HB2  GLU  76           HB2      GLU  76 -17.095   7.777  -0.061
  532    HB3  GLU  76           HB1      GLU  76 -18.450   6.777   0.444
  533    HG2  GLU  76           HG2      GLU  76 -17.587   6.775   2.729
  534    HG3  GLU  76           HG1      GLU  76 -16.238   7.786   2.218
  535    H    GLY  77           HN       GLY  77 -17.626   3.579  -0.403
  536    HA2  GLY  77           HA2      GLY  77 -18.331   2.708  -2.408
  537    HA3  GLY  77           HA1      GLY  77 -18.164   4.314  -3.103
  538    H    MET  78           HN       MET  78 -15.223   3.871  -1.873
  539    HA   MET  78           HA       MET  78 -14.227   2.766  -4.409
  540    HB2  MET  78           HB2      MET  78 -12.779   4.451  -2.344
  541    HB3  MET  78           HB1      MET  78 -12.092   3.879  -3.858
  542    HG2  MET  78           HG2      MET  78 -14.422   5.781  -3.590
  543    HG3  MET  78           HG1      MET  78 -12.766   6.226  -3.996
  544    HE1  MET  78           HE1      MET  78 -11.580   5.669  -6.246
  545    HE2  MET  78           HE2      MET  78 -12.280   4.674  -7.523
  546    HE3  MET  78           HE3      MET  78 -11.841   3.946  -5.978
  547    H    LEU  79           HN       LEU  79 -13.925   2.478  -0.902
  548    HA   LEU  79           HA       LEU  79 -12.595  -0.116  -1.337
  549    HB2  LEU  79           HB2      LEU  79 -11.318   1.824  -0.158
  550    HB3  LEU  79           HB1      LEU  79 -12.391   1.498   1.193
  551    HG   LEU  79           HG       LEU  79 -11.527  -0.850   1.232
  552   HD11  LEU  79          HD11      LEU  79 -10.729  -1.052  -1.033
  553   HD12  LEU  79          HD12      LEU  79  -9.385  -1.271   0.084
  554   HD13  LEU  79          HD13      LEU  79  -9.575   0.256  -0.778
  555   HD21  LEU  79          HD21      LEU  79  -9.665   1.469   1.623
  556   HD22  LEU  79          HD22      LEU  79  -9.254  -0.174   2.109
  557   HD23  LEU  79          HD23      LEU  79 -10.648   0.636   2.828
  558    H    PHE  80           HN       PHE  80 -13.488  -1.863  -0.282
  559    HA   PHE  80           HA       PHE  80 -15.570  -1.456   1.702
  560    HB2  PHE  80           HB2      PHE  80 -17.203  -2.854   0.465
  561    HB3  PHE  80           HB1      PHE  80 -16.851  -1.349  -0.367
  562    HD1  PHE  80           HD1      PHE  80 -15.607  -1.348  -2.465
  563    HD2  PHE  80           HD2      PHE  80 -16.538  -4.991  -0.460
  564    HE1  PHE  80           HE1      PHE  80 -15.059  -2.612  -4.499
  565    HE2  PHE  80           HE2      PHE  80 -15.999  -6.248  -2.496
  566    HZ   PHE  80           HZ       PHE  80 -15.277  -5.061  -4.526
  567    H    ILE  81           HN       ILE  81 -16.270  -3.570   2.638
  568    HA   ILE  81           HA       ILE  81 -13.947  -5.222   3.040
  569    HB   ILE  81           HB       ILE  81 -16.734  -5.409   4.175
  570   HG12  ILE  81          HG12      ILE  81 -15.348  -3.499   4.941
  571   HG13  ILE  81          HG11      ILE  81 -15.707  -4.634   6.233
  572   HG21  ILE  81          HG21      ILE  81 -14.303  -7.073   4.792
  573   HG22  ILE  81          HG22      ILE  81 -15.811  -7.632   4.066
  574   HG23  ILE  81          HG23      ILE  81 -15.792  -7.070   5.737
  575   HD11  ILE  81          HD11      ILE  81 -13.462  -5.619   5.923
  576   HD12  ILE  81          HD12      ILE  81 -13.435  -3.926   6.415
  577   HD13  ILE  81          HD13      ILE  81 -13.115  -4.359   4.738
  578    H    SER  82           HN       SER  82 -13.458  -6.986   1.981
  579    HA   SER  82           HA       SER  82 -15.214  -8.010  -0.053
  580    HB2  SER  82           HB2      SER  82 -12.811  -7.790  -0.490
  581    HB3  SER  82           HB1      SER  82 -12.462  -8.903   0.833
  582    HG   SER  82           HG       SER  82 -13.946  -9.521  -1.514
  583    H    LYS  83           HN       LYS  83 -16.389  -9.815   0.020
  584    HA   LYS  83           HA       LYS  83 -16.861 -11.059   2.548
  585    HB2  LYS  83           HB2      LYS  83 -17.916 -11.711  -0.200
  586    HB3  LYS  83           HB1      LYS  83 -18.495 -12.426   1.299
  587    HG2  LYS  83           HG2      LYS  83 -19.186 -10.207   2.081
  588    HG3  LYS  83           HG1      LYS  83 -18.635  -9.510   0.558
  589    HD2  LYS  83           HD2      LYS  83 -20.246 -10.914  -0.653
  590    HD3  LYS  83           HD1      LYS  83 -20.803 -11.582   0.882
  591    HE2  LYS  83           HE2      LYS  83 -20.956  -8.684   0.057
  592    HE3  LYS  83           HE1      LYS  83 -22.297  -9.826   0.063
  593    HZ1  LYS  83           HZ1      LYS  83 -22.373  -8.486   2.030
  594    HZ2  LYS  83           HZ2      LYS  83 -20.777  -8.876   2.428
  595    HZ3  LYS  83           HZ3      LYS  83 -21.973 -10.068   2.475
  596    H    LEU  84           HN       LEU  84 -14.444 -11.516   0.367
  597    HA   LEU  84           HA       LEU  84 -14.365 -14.383   0.323
  598    HB2  LEU  84           HB2      LEU  84 -12.253 -12.359  -0.388
  599    HB3  LEU  84           HB1      LEU  84 -12.157 -14.075  -0.725
  600    HG   LEU  84           HG       LEU  84 -14.176 -12.157  -1.899
  601   HD11  LEU  84          HD11      LEU  84 -11.803 -13.530  -3.150
  602   HD12  LEU  84          HD12      LEU  84 -11.924 -11.813  -2.767
  603   HD13  LEU  84          HD13      LEU  84 -12.979 -12.520  -3.991
  604   HD21  LEU  84          HD21      LEU  84 -13.716 -15.096  -2.393
  605   HD22  LEU  84          HD22      LEU  84 -14.756 -14.057  -3.366
  606   HD23  LEU  84          HD23      LEU  84 -15.146 -14.355  -1.674
  607    H    ASP  85           HN       ASP  85 -12.252 -11.918   1.833
  608    HA   ASP  85           HA       ASP  85 -11.725 -13.869   3.970
  609    HB2  ASP  85           HB2      ASP  85  -9.680 -12.173   2.546
  610    HB3  ASP  85           HB1      ASP  85  -9.375 -12.931   4.103
  611    H    GLY  86           HN       GLY  86 -13.265 -11.164   3.468
  612    HA2  GLY  86           HA2      GLY  86 -14.016  -9.539   4.912
  613    HA3  GLY  86           HA1      GLY  86 -13.050 -10.284   6.174
  614    H    ARG  87           HN       ARG  87 -11.507  -9.383   3.248
  615    HA   ARG  87           HA       ARG  87  -9.889  -7.463   4.703
  616    HB2  ARG  87           HB2      ARG  87  -9.656  -8.670   1.951
  617    HB3  ARG  87           HB1      ARG  87  -8.547  -7.462   2.574
  618    HG2  ARG  87           HG2      ARG  87  -8.012  -9.010   4.443
  619    HG3  ARG  87           HG1      ARG  87  -9.005 -10.232   3.645
  620    HD2  ARG  87           HD2      ARG  87  -7.579 -10.093   1.667
  621    HD3  ARG  87           HD1      ARG  87  -6.589  -8.870   2.465
  622    HE   ARG  87           HE       ARG  87  -6.845 -11.401   3.856
  623   HH11  ARG  87          HH11      ARG  87  -4.925  -9.409   1.700
  624   HH12  ARG  87          HH12      ARG  87  -3.480 -10.338   1.938
  625   HH21  ARG  87          HH21      ARG  87  -4.945 -12.600   4.184
  626   HH22  ARG  87          HH22      ARG  87  -3.486 -12.145   3.364
  627    H    LEU  88           HN       LEU  88  -9.511  -5.357   4.010
  628    HA   LEU  88           HA       LEU  88 -11.672  -3.991   2.740
  629    HB2  LEU  88           HB2      LEU  88  -8.858  -3.129   3.423
  630    HB3  LEU  88           HB1      LEU  88 -10.081  -2.055   2.783
  631    HG   LEU  88           HG       LEU  88 -10.618  -3.561   5.305
  632   HD11  LEU  88          HD11      LEU  88  -9.665  -1.721   6.586
  633   HD12  LEU  88          HD12      LEU  88  -9.117  -0.954   5.097
  634   HD13  LEU  88          HD13      LEU  88  -8.426  -2.497   5.600
  635   HD21  LEU  88          HD21      LEU  88 -11.470  -0.863   4.254
  636   HD22  LEU  88          HD22      LEU  88 -12.003  -1.596   5.767
  637   HD23  LEU  88          HD23      LEU  88 -12.442  -2.336   4.228
  638    H    SER  89           HN       SER  89 -12.063  -4.245   0.635
  639    HA   SER  89           HA       SER  89  -9.766  -4.536  -1.185
  640    HB2  SER  89           HB2      SER  89 -11.338  -5.857  -2.627
  641    HB3  SER  89           HB1      SER  89 -11.038  -6.603  -1.056
  642    HG   SER  89           HG       SER  89 -13.180  -4.864  -1.138
  643    H    CYS  90           HN       CYS  90  -9.639  -3.211  -2.905
  644    HA   CYS  90           HA       CYS  90 -11.424  -0.948  -3.038
  645    HB2  CYS  90           HB2      CYS  90  -9.872  -0.045  -4.657
  646    HB3  CYS  90           HB1      CYS  90  -8.936  -0.770  -3.350
  647    H    THR  91           HN       THR  91 -12.248  -0.219  -5.224
  648    HA   THR  91           HA       THR  91 -13.916  -2.302  -6.257
  649    HB   THR  91           HB       THR  91 -14.749  -0.407  -7.755
  650    HG1  THR  91           HG1      THR  91 -13.144   1.087  -7.703
  651   HG21  THR  91          HG21      THR  91 -15.988   0.632  -5.920
  652   HG22  THR  91          HG22      THR  91 -14.861  -0.069  -4.760
  653   HG23  THR  91          HG23      THR  91 -15.903  -1.117  -5.723
  654    H    GLU  92           HN       GLU  92 -10.920  -2.251  -6.899
  655    HA   GLU  92           HA       GLU  92 -11.198  -2.396  -9.828
  656    HB2  GLU  92           HB2      GLU  92  -8.693  -1.977  -8.191
  657    HB3  GLU  92           HB1      GLU  92  -8.765  -2.077  -9.943
  658    HG2  GLU  92           HG2      GLU  92 -10.280  -0.067  -9.881
  659    HG3  GLU  92           HG1      GLU  92  -9.873   0.071  -8.172
  660    H    HIS  93           HN       HIS  93 -11.760  -4.459  -7.693
  661    HA   HIS  93           HA       HIS  93  -9.875  -6.498  -8.680
  662    HB2  HIS  93           HB2      HIS  93 -11.021  -6.239  -5.892
  663    HB3  HIS  93           HB1      HIS  93 -10.137  -7.646  -6.468
  664    HD1  HIS  93           HD1      HIS  93  -8.203  -5.240  -8.009
  665    HD2  HIS  93           HD2      HIS  93  -8.822  -6.197  -4.015
  666    HE1  HIS  93           HE1      HIS  93  -6.226  -4.301  -6.735
  667    H    ASP  94           HN       ASP  94 -12.135  -6.085 -10.073
  668    HA   ASP  94           HA       ASP  94 -13.690  -8.505  -9.421
  669    HB2  ASP  94           HB2      ASP  94 -14.625  -6.029 -10.893
  670    HB3  ASP  94           HB1      ASP  94 -15.537  -7.528 -10.807
  Start of MODEL   11
    1    H1   GLY   1           HT1      GLY   1   2.086 -11.405  11.809
    2    H2   GLY   1           HT2      GLY   1   0.600 -11.761  11.079
    3    H3   GLY   1           HT3      GLY   1   0.710 -11.666  12.764
    4    HA2  GLY   1           HA1      GLY   1   1.083  -9.419  10.866
    5    HA3  GLY   1           HA2      GLY   1  -0.340  -9.690  11.859
    6    H    ALA   2           HN       ALA   2   3.161  -9.827  12.536
    7    HA   ALA   2           HA       ALA   2   2.693  -7.884  14.707
    8    HB1  ALA   2           HB1      ALA   2   4.364  -9.050  16.036
    9    HB2  ALA   2           HB2      ALA   2   4.595 -10.222  14.739
   10    HB3  ALA   2           HB3      ALA   2   3.054 -10.139  15.589
   11    H    MET   3           HN       MET   3   3.276  -6.574  12.614
   12    HA   MET   3           HA       MET   3   4.739  -5.211  11.517
   13    HB2  MET   3           HB2      MET   3   6.260  -5.711  14.066
   14    HB3  MET   3           HB1      MET   3   6.950  -4.735  12.781
   15    HG2  MET   3           HG2      MET   3   5.952  -3.319  14.439
   16    HG3  MET   3           HG1      MET   3   5.040  -3.200  12.941
   17    HE1  MET   3           HE1      MET   3   5.118  -4.426  16.627
   18    HE2  MET   3           HE2      MET   3   4.977  -5.972  15.791
   19    HE3  MET   3           HE3      MET   3   3.635  -5.370  16.762
   20    H    GLU   4           HN       GLU   4   4.713  -7.951  10.852
   21    HA   GLU   4           HA       GLU   4   7.481  -8.783  10.515
   22    HB2  GLU   4           HB2      GLU   4   4.913 -10.201   9.801
   23    HB3  GLU   4           HB1      GLU   4   6.523 -10.905   9.769
   24    HG2  GLU   4           HG2      GLU   4   6.714 -10.754  12.134
   25    HG3  GLU   4           HG1      GLU   4   5.231  -9.807  12.247
   26    H    ARG   5           HN       ARG   5   8.258  -7.419   8.942
   27    HA   ARG   5           HA       ARG   5   6.967  -6.942   6.459
   28    HB2  ARG   5           HB2      ARG   5   8.771  -5.521   7.469
   29    HB3  ARG   5           HB1      ARG   5   9.919  -6.798   7.096
   30    HG2  ARG   5           HG2      ARG   5   9.141  -6.535   4.672
   31    HG3  ARG   5           HG1      ARG   5   8.420  -5.016   5.211
   32    HD2  ARG   5           HD2      ARG   5  11.322  -5.810   5.352
   33    HD3  ARG   5           HD1      ARG   5  10.608  -4.568   4.327
   34    HE   ARG   5           HE       ARG   5  10.115  -3.331   6.397
   35   HH11  ARG   5          HH11      ARG   5  12.605  -5.804   6.450
   36   HH12  ARG   5          HH12      ARG   5  13.440  -5.105   7.801
   37   HH21  ARG   5          HH21      ARG   5  11.230  -2.418   8.183
   38   HH22  ARG   5          HH22      ARG   5  12.667  -3.188   8.774
   39    H    GLU   6           HN       GLU   6   6.757  -8.313   4.780
   40    HA   GLU   6           HA       GLU   6   8.243 -10.808   4.820
   41    HB2  GLU   6           HB2      GLU   6   6.863 -11.395   2.831
   42    HB3  GLU   6           HB1      GLU   6   5.913 -10.999   4.251
   43    HG2  GLU   6           HG2      GLU   6   6.475  -8.938   2.156
   44    HG3  GLU   6           HG1      GLU   6   5.173 -10.107   1.955
   45    H    ASP   7           HN       ASP   7   9.749 -11.457   3.300
   46    HA   ASP   7           HA       ASP   7  11.023  -9.354   1.778
   47    HB2  ASP   7           HB2      ASP   7  12.373 -11.093   2.931
   48    HB3  ASP   7           HB1      ASP   7  11.681 -12.308   1.863
   49    H    GLU   8           HN       GLU   8   8.910  -9.084   0.675
   50    HA   GLU   8           HA       GLU   8   9.028 -10.149  -1.965
   51    HB2  GLU   8           HB2      GLU   8   7.919 -12.022  -0.782
   52    HB3  GLU   8           HB1      GLU   8   6.692 -10.912  -0.194
   53    HG2  GLU   8           HG2      GLU   8   6.033 -10.470  -2.532
   54    HG3  GLU   8           HG1      GLU   8   7.195 -11.690  -3.054
   55    H    CYS   9           HN       CYS   9   7.833  -8.846  -3.373
   56    HA   CYS   9           HA       CYS   9   7.071  -6.295  -2.249
   57    HB2  CYS   9           HB2      CYS   9   8.328  -6.316  -4.320
   58    HB3  CYS   9           HB1      CYS   9   7.116  -7.348  -5.076
   59    H    PHE  10           HN       PHE  10   5.087  -5.821  -1.640
   60    HA   PHE  10           HA       PHE  10   2.919  -7.613  -1.939
   61    HB2  PHE  10           HB2      PHE  10   3.148  -6.087  -0.024
   62    HB3  PHE  10           HB1      PHE  10   2.950  -4.702  -1.089
   63    HD1  PHE  10           HD1      PHE  10   0.870  -3.749  -1.286
   64    HD2  PHE  10           HD2      PHE  10   1.171  -7.819  -0.071
   65    HE1  PHE  10           HE1      PHE  10  -1.559  -3.819  -0.910
   66    HE2  PHE  10           HE2      PHE  10  -1.255  -7.890   0.298
   67    HZ   PHE  10           HZ       PHE  10  -2.623  -5.888  -0.116
   68    H    SER  11           HN       SER  11   4.108  -5.037  -3.892
   69    HA   SER  11           HA       SER  11   1.668  -4.529  -5.302
   70    HB2  SER  11           HB2      SER  11   4.474  -3.825  -6.167
   71    HB3  SER  11           HB1      SER  11   2.971  -3.043  -6.657
   72    HG   SER  11           HG       SER  11   3.152  -1.823  -4.974
   73    H    CYS  12           HN       CYS  12   4.444  -6.647  -5.778
   74    HA   CYS  12           HA       CYS  12   3.396  -7.329  -8.449
   75    HB2  CYS  12           HB2      CYS  12   6.255  -7.557  -7.505
   76    HB3  CYS  12           HB1      CYS  12   5.660  -7.839  -9.143
   77    H    GLY  13           HN       GLY  13   4.368  -8.595  -5.368
   78    HA2  GLY  13           HA2      GLY  13   3.912 -10.719  -4.525
   79    HA3  GLY  13           HA1      GLY  13   3.437 -11.228  -6.140
   80    H    ASP  14           HN       ASP  14   6.424  -9.625  -6.032
   81    HA   ASP  14           HA       ASP  14   7.882 -12.168  -5.937
   82    HB2  ASP  14           HB2      ASP  14   7.943 -10.076  -8.088
   83    HB3  ASP  14           HB1      ASP  14   9.346 -11.100  -7.798
   84    H    ALA  15           HN       ALA  15  10.152 -11.964  -5.504
   85    HA   ALA  15           HA       ALA  15  10.749  -9.586  -3.880
   86    HB1  ALA  15           HB1      ALA  15  12.242 -10.978  -2.580
   87    HB2  ALA  15           HB2      ALA  15  11.897 -12.359  -3.622
   88    HB3  ALA  15           HB3      ALA  15  10.625 -11.677  -2.610
   89    H    GLY  16           HN       GLY  16  13.003  -8.897  -3.839
   90    HA2  GLY  16           HA2      GLY  16  15.196  -9.409  -5.084
   91    HA3  GLY  16           HA1      GLY  16  14.189  -9.197  -6.509
   92    H    GLN  17           HN       GLN  17  15.871  -7.636  -3.943
   93    HA   GLN  17           HA       GLN  17  16.416  -5.492  -3.488
   94    HB2  GLN  17           HB2      GLN  17  17.168  -5.408  -5.805
   95    HB3  GLN  17           HB1      GLN  17  15.541  -5.002  -6.335
   96    HG2  GLN  17           HG2      GLN  17  15.660  -2.914  -5.056
   97    HG3  GLN  17           HG1      GLN  17  17.304  -3.320  -4.571
   98   HE21  GLN  17          HE21      GLN  17  16.101  -4.054  -7.750
   99   HE22  GLN  17          HE22      GLN  17  17.042  -2.876  -8.595
  100    H    LEU  18           HN       LEU  18  14.801  -5.342  -1.925
  101    HA   LEU  18           HA       LEU  18  12.371  -3.921  -2.767
  102    HB2  LEU  18           HB2      LEU  18  12.829  -5.705  -0.375
  103    HB3  LEU  18           HB1      LEU  18  11.343  -4.831  -0.706
  104    HG   LEU  18           HG       LEU  18  12.455  -6.835  -2.646
  105   HD11  LEU  18          HD11      LEU  18  12.137  -7.988  -0.532
  106   HD12  LEU  18          HD12      LEU  18  10.910  -8.466  -1.703
  107   HD13  LEU  18          HD13      LEU  18  10.504  -7.336  -0.414
  108   HD21  LEU  18          HD21      LEU  18  10.151  -6.897  -3.419
  109   HD22  LEU  18          HD22      LEU  18  10.805  -5.262  -3.489
  110   HD23  LEU  18          HD23      LEU  18   9.704  -5.716  -2.191
  111    H    VAL  19           HN       VAL  19  11.806  -2.065  -1.776
  112    HA   VAL  19           HA       VAL  19  13.693  -0.963   0.190
  113    HB   VAL  19           HB       VAL  19  13.646   0.410  -1.780
  114   HG11  VAL  19          HG11      VAL  19  11.551  -0.272  -2.769
  115   HG12  VAL  19          HG12      VAL  19  11.584   1.483  -2.604
  116   HG13  VAL  19          HG13      VAL  19  10.648   0.506  -1.469
  117   HG21  VAL  19          HG21      VAL  19  13.787   1.615   0.313
  118   HG22  VAL  19          HG22      VAL  19  12.028   1.686   0.420
  119   HG23  VAL  19          HG23      VAL  19  12.869   2.556  -0.863
  120    H    SER  20           HN       SER  20  13.001  -0.535   2.174
  121    HA   SER  20           HA       SER  20  10.232  -1.189   2.798
  122    HB2  SER  20           HB2      SER  20  11.976  -2.360   4.043
  123    HB3  SER  20           HB1      SER  20  12.632  -0.825   4.605
  124    HG   SER  20           HG       SER  20  11.182  -0.797   6.116
  125    H    CYS  21           HN       CYS  21   9.007   0.053   4.257
  126    HA   CYS  21           HA       CYS  21   9.150   2.880   3.749
  127    HB2  CYS  21           HB2      CYS  21   7.068   1.320   3.943
  128    HB3  CYS  21           HB1      CYS  21   7.270   1.540   5.680
  129    H    LYS  22           HN       LYS  22   9.753   4.475   5.192
  130    HA   LYS  22           HA       LYS  22  11.146   3.545   7.582
  131    HB2  LYS  22           HB2      LYS  22  11.157   6.178   6.113
  132    HB3  LYS  22           HB1      LYS  22  12.000   5.923   7.634
  133    HG2  LYS  22           HG2      LYS  22  13.353   4.175   6.593
  134    HG3  LYS  22           HG1      LYS  22  12.504   4.430   5.067
  135    HD2  LYS  22           HD2      LYS  22  13.354   6.668   4.901
  136    HD3  LYS  22           HD1      LYS  22  14.054   6.570   6.517
  137    HE2  LYS  22           HE2      LYS  22  14.870   4.880   4.155
  138    HE3  LYS  22           HE1      LYS  22  15.736   6.301   4.737
  139    HZ1  LYS  22           HZ1      LYS  22  15.293   3.784   6.250
  140    HZ2  LYS  22           HZ2      LYS  22  16.062   5.158   6.860
  141    HZ3  LYS  22           HZ3      LYS  22  16.752   4.304   5.580
  142    H    LYS  23           HN       LYS  23   8.116   4.041   7.163
  143    HA   LYS  23           HA       LYS  23   7.724   5.860   9.439
  144    HB2  LYS  23           HB2      LYS  23   6.565   6.389   7.260
  145    HB3  LYS  23           HB1      LYS  23   5.643   4.905   7.464
  146    HG2  LYS  23           HG2      LYS  23   4.622   5.748   9.472
  147    HG3  LYS  23           HG1      LYS  23   5.643   7.185   9.432
  148    HD2  LYS  23           HD2      LYS  23   4.603   7.812   7.268
  149    HD3  LYS  23           HD1      LYS  23   3.526   6.420   7.420
  150    HE2  LYS  23           HE2      LYS  23   3.703   8.721   9.368
  151    HE3  LYS  23           HE1      LYS  23   2.444   8.502   8.151
  152    HZ1  LYS  23           HZ1      LYS  23   1.725   7.754  10.329
  153    HZ2  LYS  23           HZ2      LYS  23   3.002   6.652  10.408
  154    HZ3  LYS  23           HZ3      LYS  23   1.788   6.455   9.247
  155    HA   PRO  24           HA       PRO  24   6.966   2.271  11.968
  156    HB2  PRO  24           HB2      PRO  24   5.377   4.239  13.535
  157    HB3  PRO  24           HB1      PRO  24   6.659   3.148  14.071
  158    HG2  PRO  24           HG2      PRO  24   7.135   5.743  13.790
  159    HG3  PRO  24           HG1      PRO  24   8.347   4.541  13.304
  160    HD2  PRO  24           HD2      PRO  24   6.479   6.150  11.594
  161    HD3  PRO  24           HD1      PRO  24   8.173   5.698  11.301
  162    H    GLY  25           HN       GLY  25   5.317   0.826  12.344
  163    HA2  GLY  25           HA2      GLY  25   3.149  -0.013  12.349
  164    HA3  GLY  25           HA1      GLY  25   2.558   1.580  11.885
  165    H    CYS  26           HN       CYS  26   5.113   0.537   9.930
  166    HA   CYS  26           HA       CYS  26   3.230  -0.497   7.914
  167    HB2  CYS  26           HB2      CYS  26   4.258   1.893   7.659
  168    HB3  CYS  26           HB1      CYS  26   5.726   1.022   7.223
  169    HA   PRO  27           HA       PRO  27   6.469  -3.660   8.130
  170    HB2  PRO  27           HB2      PRO  27   4.877  -5.787   8.225
  171    HB3  PRO  27           HB1      PRO  27   4.977  -4.696   9.615
  172    HG2  PRO  27           HG2      PRO  27   2.831  -4.967   7.564
  173    HG3  PRO  27           HG1      PRO  27   2.692  -4.574   9.292
  174    HD2  PRO  27           HD2      PRO  27   2.719  -2.742   7.112
  175    HD3  PRO  27           HD1      PRO  27   2.787  -2.351   8.846
  176    H    LYS  28           HN       LYS  28   5.204  -2.377   5.636
  177    HA   LYS  28           HA       LYS  28   5.205  -4.742   3.890
  178    HB2  LYS  28           HB2      LYS  28   3.447  -2.505   4.063
  179    HB3  LYS  28           HB1      LYS  28   4.262  -2.425   2.504
  180    HG2  LYS  28           HG2      LYS  28   2.121  -3.665   2.422
  181    HG3  LYS  28           HG1      LYS  28   3.508  -4.637   1.928
  182    HD2  LYS  28           HD2      LYS  28   3.571  -5.713   4.106
  183    HD3  LYS  28           HD1      LYS  28   2.257  -4.683   4.677
  184    HE2  LYS  28           HE2      LYS  28   0.708  -5.705   3.195
  185    HE3  LYS  28           HE1      LYS  28   1.991  -6.545   2.328
  186    HZ1  LYS  28           HZ1      LYS  28   0.776  -8.004   3.857
  187    HZ2  LYS  28           HZ2      LYS  28   1.247  -7.041   5.163
  188    HZ3  LYS  28           HZ3      LYS  28   2.414  -7.890   4.270
  189    H    VAL  29           HN       VAL  29   6.236  -4.624   1.844
  190    HA   VAL  29           HA       VAL  29   8.327  -2.587   1.584
  191    HB   VAL  29           HB       VAL  29   9.075  -4.757   2.785
  192   HG11  VAL  29          HG11      VAL  29   9.017  -5.751  -0.044
  193   HG12  VAL  29          HG12      VAL  29   8.069  -6.363   1.310
  194   HG13  VAL  29          HG13      VAL  29   9.823  -6.547   1.307
  195   HG21  VAL  29          HG21      VAL  29  10.680  -3.154   2.168
  196   HG22  VAL  29          HG22      VAL  29  10.549  -3.577   0.464
  197   HG23  VAL  29          HG23      VAL  29  11.270  -4.716   1.599
  198    H    TYR  30           HN       TYR  30   9.111  -2.373  -0.613
  199    HA   TYR  30           HA       TYR  30   7.532  -3.716  -2.693
  200    HB2  TYR  30           HB2      TYR  30   7.760  -0.700  -2.626
  201    HB3  TYR  30           HB1      TYR  30   6.758  -1.683  -3.688
  202    HD1  TYR  30           HD1      TYR  30   4.722  -2.814  -2.742
  203    HD2  TYR  30           HD2      TYR  30   6.970   0.037  -0.525
  204    HE1  TYR  30           HE1      TYR  30   2.811  -2.490  -1.228
  205    HE2  TYR  30           HE2      TYR  30   5.070   0.362   0.995
  206    HH   TYR  30           HH       TYR  30   2.342  -1.705   1.005
  207    H    HIS  31           HN       HIS  31   8.363  -3.105  -4.902
  208    HA   HIS  31           HA       HIS  31  11.246  -2.734  -4.921
  209    HB2  HIS  31           HB2      HIS  31   9.356  -2.879  -7.292
  210    HB3  HIS  31           HB1      HIS  31  11.112  -2.999  -7.345
  211    HD2  HIS  31           HD2      HIS  31  11.916  -5.366  -5.622
  212    HE1  HIS  31           HE1      HIS  31   8.610  -7.468  -7.240
  213    HE2  HIS  31           HE2      HIS  31  10.944  -7.693  -6.256
  214    H    ALA  32           HN       ALA  32  12.274  -0.893  -5.613
  215    HA   ALA  32           HA       ALA  32  10.921   1.573  -5.509
  216    HB1  ALA  32           HB1      ALA  32  13.299   1.334  -4.995
  217    HB2  ALA  32           HB2      ALA  32  13.028   2.550  -6.242
  218    HB3  ALA  32           HB3      ALA  32  13.624   0.950  -6.686
  219    H    ASP  33           HN       ASP  33  11.673  -0.640  -8.071
  220    HA   ASP  33           HA       ASP  33  11.339   1.118 -10.257
  221    HB2  ASP  33           HB2      ASP  33  12.515  -1.054 -10.420
  222    HB3  ASP  33           HB1      ASP  33  10.975  -1.882 -10.221
  223    H    CYS  34           HN       CYS  34   9.050  -1.161  -8.709
  224    HA   CYS  34           HA       CYS  34   6.969  -0.558 -10.572
  225    HB2  CYS  34           HB2      CYS  34   5.517  -1.741  -8.788
  226    HB3  CYS  34           HB1      CYS  34   6.764  -2.690  -9.590
  227    H    LEU  35           HN       LEU  35   8.144   0.932  -7.739
  228    HA   LEU  35           HA       LEU  35   5.763   2.538  -7.335
  229    HB2  LEU  35           HB2      LEU  35   8.515   2.686  -6.112
  230    HB3  LEU  35           HB1      LEU  35   7.157   3.685  -5.635
  231    HG   LEU  35           HG       LEU  35   7.156   0.678  -5.423
  232   HD11  LEU  35          HD11      LEU  35   7.448   1.188  -2.965
  233   HD12  LEU  35          HD12      LEU  35   7.954   2.802  -3.464
  234   HD13  LEU  35          HD13      LEU  35   8.872   1.391  -3.982
  235   HD21  LEU  35          HD21      LEU  35   5.298   1.098  -3.866
  236   HD22  LEU  35          HD22      LEU  35   4.941   1.664  -5.498
  237   HD23  LEU  35          HD23      LEU  35   5.392   2.818  -4.242
  238    H    ASN  36           HN       ASN  36   8.248   2.492  -9.492
  239    HA   ASN  36           HA       ASN  36   9.007   3.895 -11.085
  240    HB2  ASN  36           HB2      ASN  36   6.534   5.361 -10.234
  241    HB3  ASN  36           HB1      ASN  36   7.626   6.067 -11.416
  242   HD21  ASN  36          HD21      ASN  36   7.148   2.622 -11.212
  243   HD22  ASN  36          HD22      ASN  36   6.261   2.463 -12.685
  244    H    LEU  37           HN       LEU  37  10.135   3.999  -8.490
  245    HA   LEU  37           HA       LEU  37  10.659   6.769  -7.885
  246    HB2  LEU  37           HB2      LEU  37  11.789   4.214  -6.764
  247    HB3  LEU  37           HB1      LEU  37  12.230   5.809  -6.189
  248    HG   LEU  37           HG       LEU  37   9.467   4.587  -6.055
  249   HD11  LEU  37          HD11      LEU  37  11.112   3.589  -4.503
  250   HD12  LEU  37          HD12      LEU  37   9.831   4.472  -3.674
  251   HD13  LEU  37          HD13      LEU  37  11.429   5.194  -3.849
  252   HD21  LEU  37          HD21      LEU  37  10.506   7.215  -5.004
  253   HD22  LEU  37          HD22      LEU  37   8.904   6.541  -4.700
  254   HD23  LEU  37          HD23      LEU  37   9.370   7.003  -6.336
  255    H    THR  38           HN       THR  38  11.477   7.103 -10.173
  256    HA   THR  38           HA       THR  38  14.047   6.158 -10.889
  257    HB   THR  38           HB       THR  38  12.823   8.804 -11.700
  258    HG1  THR  38           HG1      THR  38  12.173   6.173 -12.352
  259   HG21  THR  38          HG21      THR  38  15.172   8.521 -12.320
  260   HG22  THR  38          HG22      THR  38  14.136   8.473 -13.745
  261   HG23  THR  38          HG23      THR  38  14.792   6.976 -13.083
  262    H    LYS  39           HN       LYS  39  12.888   8.830  -8.938
  263    HA   LYS  39           HA       LYS  39  15.613   9.675  -8.338
  264    HB2  LYS  39           HB2      LYS  39  13.953  11.440  -8.677
  265    HB3  LYS  39           HB1      LYS  39  12.945  10.756  -7.411
  266    HG2  LYS  39           HG2      LYS  39  14.795  11.180  -5.799
  267    HG3  LYS  39           HG1      LYS  39  15.657  12.016  -7.088
  268    HD2  LYS  39           HD2      LYS  39  14.618  13.760  -5.990
  269    HD3  LYS  39           HD1      LYS  39  13.479  13.415  -7.287
  270    HE2  LYS  39           HE2      LYS  39  13.244  12.304  -4.492
  271    HE3  LYS  39           HE1      LYS  39  12.445  13.776  -5.031
  272    HZ1  LYS  39           HZ1      LYS  39  11.336  12.404  -6.759
  273    HZ2  LYS  39           HZ2      LYS  39  10.904  11.994  -5.178
  274    HZ3  LYS  39           HZ3      LYS  39  11.987  11.022  -6.033
  275    H    ARG  40           HN       ARG  40  16.620   8.417  -6.910
  276    HA   ARG  40           HA       ARG  40  15.354   6.674  -5.105
  277    HB2  ARG  40           HB2      ARG  40  17.664   6.378  -5.915
  278    HB3  ARG  40           HB1      ARG  40  18.158   7.805  -5.014
  279    HG2  ARG  40           HG2      ARG  40  17.512   6.664  -2.923
  280    HG3  ARG  40           HG1      ARG  40  17.137   5.219  -3.864
  281    HD2  ARG  40           HD2      ARG  40  19.469   5.197  -4.681
  282    HD3  ARG  40           HD1      ARG  40  19.819   6.573  -3.638
  283    HE   ARG  40           HE       ARG  40  18.734   4.570  -2.040
  284   HH11  ARG  40          HH11      ARG  40  21.586   5.123  -3.988
  285   HH12  ARG  40          HH12      ARG  40  22.594   4.068  -3.047
  286   HH21  ARG  40          HH21      ARG  40  20.062   3.179  -0.793
  287   HH22  ARG  40          HH22      ARG  40  21.727   2.969  -1.228
  288    HA   PRO  41           HA       PRO  41  14.156   9.728  -2.055
  289    HB2  PRO  41           HB2      PRO  41  13.357   7.950  -0.140
  290    HB3  PRO  41           HB1      PRO  41  12.359   8.424  -1.516
  291    HG2  PRO  41           HG2      PRO  41  14.044   5.982  -1.142
  292    HG3  PRO  41           HG1      PRO  41  12.419   6.128  -1.843
  293    HD2  PRO  41           HD2      PRO  41  14.618   5.893  -3.391
  294    HD3  PRO  41           HD1      PRO  41  13.228   6.880  -3.886
  295    H    ALA  42           HN       ALA  42  15.221  10.706  -0.430
  296    HA   ALA  42           HA       ALA  42  17.321   9.207   0.977
  297    HB1  ALA  42           HB1      ALA  42  18.843  11.094   0.745
  298    HB2  ALA  42           HB2      ALA  42  17.636  11.964  -0.199
  299    HB3  ALA  42           HB3      ALA  42  18.355  10.485  -0.835
  300    H    GLY  43           HN       GLY  43  16.738   9.227   3.070
  301    HA2  GLY  43           HA2      GLY  43  16.803  10.723   5.050
  302    HA3  GLY  43           HA1      GLY  43  15.704  11.773   4.165
  303    H    LYS  44           HN       LYS  44  13.607  11.559   4.570
  304    HA   LYS  44           HA       LYS  44  12.716   9.062   5.850
  305    HB2  LYS  44           HB2      LYS  44  11.493  11.823   6.013
  306    HB3  LYS  44           HB1      LYS  44  10.860  10.382   6.793
  307    HG2  LYS  44           HG2      LYS  44  12.929  10.217   8.117
  308    HG3  LYS  44           HG1      LYS  44  13.508  11.698   7.359
  309    HD2  LYS  44           HD2      LYS  44  12.580  12.231   9.516
  310    HD3  LYS  44           HD1      LYS  44  11.530  12.884   8.261
  311    HE2  LYS  44           HE2      LYS  44  10.246  11.850  10.069
  312    HE3  LYS  44           HE1      LYS  44  10.004  11.005   8.541
  313    HZ1  LYS  44           HZ1      LYS  44  11.841  10.136  10.709
  314    HZ2  LYS  44           HZ2      LYS  44  11.558   9.312   9.259
  315    HZ3  LYS  44           HZ3      LYS  44  10.319   9.475  10.391
  316    H    TRP  45           HN       TRP  45  11.813   7.786   4.383
  317    HA   TRP  45           HA       TRP  45  10.228   9.012   2.254
  318    HB2  TRP  45           HB2      TRP  45  12.056   7.631   1.427
  319    HB3  TRP  45           HB1      TRP  45  11.491   6.268   2.389
  320    HD1  TRP  45           HD1      TRP  45  10.202   8.493  -0.515
  321    HE1  TRP  45           HE1      TRP  45   8.702   7.055  -2.023
  322    HE3  TRP  45           HE3      TRP  45  10.311   4.130   2.155
  323    HZ2  TRP  45           HZ2      TRP  45   7.701   4.428  -2.081
  324    HZ3  TRP  45           HZ3      TRP  45   9.052   2.196   1.291
  325    HH2  TRP  45           HH2      TRP  45   7.774   2.345  -0.782
  326    H    GLU  46           HN       GLU  46   8.136   8.573   1.995
  327    HA   GLU  46           HA       GLU  46   6.889   6.646   3.837
  328    HB2  GLU  46           HB2      GLU  46   4.825   8.115   3.511
  329    HB3  GLU  46           HB1      GLU  46   6.127   8.797   4.479
  330    HG2  GLU  46           HG2      GLU  46   6.817  10.217   2.732
  331    HG3  GLU  46           HG1      GLU  46   5.838   9.358   1.547
  332    H    CYS  47           HN       CYS  47   5.825   4.992   2.884
  333    HA   CYS  47           HA       CYS  47   5.785   4.704   0.064
  334    HB2  CYS  47           HB2      CYS  47   4.704   2.614   0.418
  335    HB3  CYS  47           HB1      CYS  47   5.798   2.816   1.781
  336    HA   PRO  48           HA       PRO  48   2.105   6.858  -1.082
  337    HB2  PRO  48           HB2      PRO  48   1.243   5.274  -3.147
  338    HB3  PRO  48           HB1      PRO  48   2.575   6.431  -3.281
  339    HG2  PRO  48           HG2      PRO  48   2.671   3.472  -2.831
  340    HG3  PRO  48           HG1      PRO  48   3.671   4.476  -3.899
  341    HD2  PRO  48           HD2      PRO  48   4.575   3.624  -1.522
  342    HD3  PRO  48           HD1      PRO  48   5.000   5.228  -2.157
  343    H    TRP  49           HN       TRP  49   2.074   3.796   0.262
  344    HA   TRP  49           HA       TRP  49  -0.733   3.211   0.055
  345    HB2  TRP  49           HB2      TRP  49   1.309   1.607   0.466
  346    HB3  TRP  49           HB1      TRP  49   1.093   2.066   2.155
  347    HD1  TRP  49           HD1      TRP  49  -1.799   1.315  -0.303
  348    HE1  TRP  49           HE1      TRP  49  -3.084  -0.741   0.572
  349    HE3  TRP  49           HE3      TRP  49   1.196   0.103   3.672
  350    HZ2  TRP  49           HZ2      TRP  49  -2.871  -2.609   2.672
  351    HZ3  TRP  49           HZ3      TRP  49   0.578  -1.827   5.061
  352    HH2  TRP  49           HH2      TRP  49  -1.412  -3.160   4.569
  353    H    HIS  50           HN       HIS  50   0.924   5.556   1.669
  354    HA   HIS  50           HA       HIS  50  -0.995   5.624   3.900
  355    HB2  HIS  50           HB2      HIS  50   1.550   7.226   3.538
  356    HB3  HIS  50           HB1      HIS  50   0.487   7.264   4.948
  357    HD1  HIS  50           HD1      HIS  50   0.209   4.005   4.957
  358    HD2  HIS  50           HD2      HIS  50   3.671   6.305   5.012
  359    HE1  HIS  50           HE1      HIS  50   2.013   2.559   5.995
  360    H    GLN  51           HN       GLN  51  -0.787   6.679   0.861
  361    HA   GLN  51           HA       GLN  51  -2.025   9.273   1.481
  362    HB2  GLN  51           HB2      GLN  51  -0.386   8.569  -0.963
  363    HB3  GLN  51           HB1      GLN  51  -1.191  10.105  -0.678
  364    HG2  GLN  51           HG2      GLN  51   1.024   8.944   0.983
  365    HG3  GLN  51           HG1      GLN  51   1.189  10.238  -0.201
  366   HE21  GLN  51          HE21      GLN  51   1.888  10.374   2.558
  367   HE22  GLN  51          HE22      GLN  51   0.876  11.569   3.294
  368    H    CYS  52           HN       CYS  52  -3.873   9.799   0.453
  369    HA   CYS  52           HA       CYS  52  -5.480   7.699  -0.599
  370    HB2  CYS  52           HB2      CYS  52  -6.422   9.571   0.677
  371    HB3  CYS  52           HB1      CYS  52  -5.886  10.696  -0.559
  372    H    ASP  53           HN       ASP  53  -5.474   6.968  -2.625
  373    HA   ASP  53           HA       ASP  53  -3.801   8.078  -4.609
  374    HB2  ASP  53           HB2      ASP  53  -4.391   5.682  -4.515
  375    HB3  ASP  53           HB1      ASP  53  -6.051   6.079  -4.954
  376    H    VAL  54           HN       VAL  54  -6.948   8.950  -3.665
  377    HA   VAL  54           HA       VAL  54  -7.697   9.963  -6.277
  378    HB   VAL  54           HB       VAL  54  -9.155  10.190  -3.643
  379   HG11  VAL  54          HG11      VAL  54 -11.084  10.824  -5.023
  380   HG12  VAL  54          HG12      VAL  54 -10.043  10.838  -6.448
  381   HG13  VAL  54          HG13      VAL  54  -9.767  11.992  -5.140
  382   HG21  VAL  54          HG21      VAL  54  -9.580   8.354  -5.995
  383   HG22  VAL  54          HG22      VAL  54 -10.644   8.486  -4.595
  384   HG23  VAL  54          HG23      VAL  54  -8.996   7.887  -4.397
  385    H    CYS  55           HN       CYS  55  -7.033  11.378  -3.039
  386    HA   CYS  55           HA       CYS  55  -6.858  13.973  -4.412
  387    HB2  CYS  55           HB2      CYS  55  -7.370  15.037  -2.257
  388    HB3  CYS  55           HB1      CYS  55  -8.636  13.944  -2.787
  389    H    GLY  56           HN       GLY  56  -4.927  11.659  -2.930
  390    HA2  GLY  56           HA2      GLY  56  -2.629  11.672  -2.740
  391    HA3  GLY  56           HA1      GLY  56  -2.639  13.371  -3.190
  392    H    LYS  57           HN       LYS  57  -4.775  12.940  -0.662
  393    HA   LYS  57           HA       LYS  57  -2.752  13.931   1.201
  394    HB2  LYS  57           HB2      LYS  57  -5.756  14.052   1.469
  395    HB3  LYS  57           HB1      LYS  57  -4.583  14.849   2.506
  396    HG2  LYS  57           HG2      LYS  57  -3.789  16.044   0.400
  397    HG3  LYS  57           HG1      LYS  57  -5.277  15.464  -0.344
  398    HD2  LYS  57           HD2      LYS  57  -5.086  17.187   2.124
  399    HD3  LYS  57           HD1      LYS  57  -5.512  17.746   0.510
  400    HE2  LYS  57           HE2      LYS  57  -7.605  17.498   1.372
  401    HE3  LYS  57           HE1      LYS  57  -7.366  15.867   0.753
  402    HZ1  LYS  57           HZ1      LYS  57  -8.248  15.865   3.006
  403    HZ2  LYS  57           HZ2      LYS  57  -6.897  16.725   3.558
  404    HZ3  LYS  57           HZ3      LYS  57  -6.714  15.155   2.958
  405    H    GLU  58           HN       GLU  58  -3.728  13.427   3.608
  406    HA   GLU  58           HA       GLU  58  -2.724  10.998   4.309
  407    HB2  GLU  58           HB2      GLU  58  -3.319  12.899   5.823
  408    HB3  GLU  58           HB1      GLU  58  -4.996  12.388   5.731
  409    HG2  GLU  58           HG2      GLU  58  -4.197  11.517   7.743
  410    HG3  GLU  58           HG1      GLU  58  -4.216  10.153   6.628
  411    H    ALA  59           HN       ALA  59  -3.313   8.951   4.016
  412    HA   ALA  59           HA       ALA  59  -6.036   8.299   3.229
  413    HB1  ALA  59           HB1      ALA  59  -4.262   7.243   1.992
  414    HB2  ALA  59           HB2      ALA  59  -5.139   6.021   2.912
  415    HB3  ALA  59           HB3      ALA  59  -3.567   6.590   3.476
  416    H    ALA  60           HN       ALA  60  -7.403   6.943   4.363
  417    HA   ALA  60           HA       ALA  60  -6.752   6.664   7.219
  418    HB1  ALA  60           HB1      ALA  60  -9.461   6.862   5.911
  419    HB2  ALA  60           HB2      ALA  60  -8.623   8.165   6.754
  420    HB3  ALA  60           HB3      ALA  60  -9.149   6.735   7.642
  421    H    SER  61           HN       SER  61  -8.181   5.028   4.427
  422    HA   SER  61           HA       SER  61  -7.892   2.503   5.902
  423    HB2  SER  61           HB2      SER  61  -9.741   1.633   4.452
  424    HB3  SER  61           HB1      SER  61 -10.242   2.930   5.533
  425    HG   SER  61           HG       SER  61 -10.834   2.970   3.153
  426    H    PHE  62           HN       PHE  62  -7.196   0.679   4.661
  427    HA   PHE  62           HA       PHE  62  -5.617   1.458   2.298
  428    HB2  PHE  62           HB2      PHE  62  -4.623  -0.491   4.381
  429    HB3  PHE  62           HB1      PHE  62  -3.688   0.394   3.170
  430    HD1  PHE  62           HD1      PHE  62  -4.904   0.345   6.533
  431    HD2  PHE  62           HD2      PHE  62  -3.449   2.918   3.473
  432    HE1  PHE  62           HE1      PHE  62  -4.444   2.083   8.212
  433    HE2  PHE  62           HE2      PHE  62  -2.988   4.653   5.148
  434    HZ   PHE  62           HZ       PHE  62  -3.484   4.239   7.521
  435    H    CYS  63           HN       CYS  63  -5.936   0.113   0.577
  436    HA   CYS  63           HA       CYS  63  -7.572  -2.200   0.791
  437    HB2  CYS  63           HB2      CYS  63  -7.311  -0.840  -1.318
  438    HB3  CYS  63           HB1      CYS  63  -5.705  -1.540  -1.501
  439    H    GLU  64           HN       GLU  64  -7.056  -4.198   1.358
  440    HA   GLU  64           HA       GLU  64  -4.294  -4.756   2.058
  441    HB2  GLU  64           HB2      GLU  64  -6.799  -6.406   2.440
  442    HB3  GLU  64           HB1      GLU  64  -5.212  -6.810   3.081
  443    HG2  GLU  64           HG2      GLU  64  -5.239  -4.794   4.454
  444    HG3  GLU  64           HG1      GLU  64  -6.811  -4.354   3.788
  445    H    MET  65           HN       MET  65  -5.563  -4.761  -0.790
  446    HA   MET  65           HA       MET  65  -4.351  -7.335  -1.567
  447    HB2  MET  65           HB2      MET  65  -6.641  -5.913  -2.929
  448    HB3  MET  65           HB1      MET  65  -5.883  -7.407  -3.481
  449    HG2  MET  65           HG2      MET  65  -6.623  -8.550  -1.472
  450    HG3  MET  65           HG1      MET  65  -7.340  -7.058  -0.866
  451    HE1  MET  65           HE1      MET  65  -7.486  -9.868  -3.568
  452    HE2  MET  65           HE2      MET  65  -7.373  -8.432  -4.587
  453    HE3  MET  65           HE3      MET  65  -8.862  -9.375  -4.555
  454    H    CYS  66           HN       CYS  66  -4.090  -3.981  -1.800
  455    HA   CYS  66           HA       CYS  66  -2.013  -4.160  -3.745
  456    HB2  CYS  66           HB2      CYS  66  -2.994  -2.930  -5.537
  457    HB3  CYS  66           HB1      CYS  66  -4.162  -4.182  -5.130
  458    HA   PRO  67           HA       PRO  67  -0.800  -0.440  -1.675
  459    HB2  PRO  67           HB2      PRO  67   0.259   0.753  -4.136
  460    HB3  PRO  67           HB1      PRO  67   1.131   0.138  -2.729
  461    HG2  PRO  67           HG2      PRO  67   1.209  -1.124  -5.095
  462    HG3  PRO  67           HG1      PRO  67   1.220  -2.012  -3.559
  463    HD2  PRO  67           HD2      PRO  67  -1.103  -1.486  -5.409
  464    HD3  PRO  67           HD1      PRO  67  -0.612  -3.013  -4.627
  465    H    SER  68           HN       SER  68  -3.512  -0.342  -3.086
  466    HA   SER  68           HA       SER  68  -3.690   2.537  -3.561
  467    HB2  SER  68           HB2      SER  68  -5.824   0.407  -3.863
  468    HB3  SER  68           HB1      SER  68  -5.956   2.093  -4.361
  469    HG   SER  68           HG       SER  68  -4.327   1.740  -5.875
  470    H    SER  69           HN       SER  69  -4.240   3.849  -1.985
  471    HA   SER  69           HA       SER  69  -5.893   2.843   0.226
  472    HB2  SER  69           HB2      SER  69  -4.476   4.557   1.604
  473    HB3  SER  69           HB1      SER  69  -3.786   2.970   1.246
  474    HG   SER  69           HG       SER  69  -3.260   5.451  -0.038
  475    H    PHE  70           HN       PHE  70  -7.171   4.529   1.314
  476    HA   PHE  70           HA       PHE  70  -7.577   6.915  -0.350
  477    HB2  PHE  70           HB2      PHE  70  -9.806   5.068   0.538
  478    HB3  PHE  70           HB1      PHE  70 -10.003   6.575  -0.358
  479    HD1  PHE  70           HD1      PHE  70  -8.854   6.708  -2.652
  480    HD2  PHE  70           HD2      PHE  70  -9.612   3.063  -0.599
  481    HE1  PHE  70           HE1      PHE  70  -8.681   5.483  -4.779
  482    HE2  PHE  70           HE2      PHE  70  -9.439   1.826  -2.720
  483    HZ   PHE  70           HZ       PHE  70  -8.967   3.012  -4.800
  484    H    CYS  71           HN       CYS  71  -8.651   8.637   0.704
  485    HA   CYS  71           HA       CYS  71  -8.231   8.730   3.556
  486    HB2  CYS  71           HB2      CYS  71  -8.848  11.060   3.388
  487    HB3  CYS  71           HB1      CYS  71  -7.782  10.673   2.041
  488    H    LYS  72           HN       LYS  72 -10.164   9.919   4.807
  489    HA   LYS  72           HA       LYS  72 -12.181   8.018   5.088
  490    HB2  LYS  72           HB2      LYS  72 -12.095  10.906   5.931
  491    HB3  LYS  72           HB1      LYS  72 -13.387   9.806   6.391
  492    HG2  LYS  72           HG2      LYS  72 -11.748   8.358   7.494
  493    HG3  LYS  72           HG1      LYS  72 -10.470   9.488   7.056
  494    HD2  LYS  72           HD2      LYS  72 -11.643  11.246   8.346
  495    HD3  LYS  72           HD1      LYS  72 -12.827  10.040   8.849
  496    HE2  LYS  72           HE2      LYS  72 -11.205  10.287  10.594
  497    HE3  LYS  72           HE1      LYS  72 -10.980   8.715   9.830
  498    HZ1  LYS  72           HZ1      LYS  72  -9.344  11.146   9.352
  499    HZ2  LYS  72           HZ2      LYS  72  -9.152   9.680   8.537
  500    HZ3  LYS  72           HZ3      LYS  72  -8.862   9.765  10.198
  501    H    GLN  73           HN       GLN  73 -12.108  10.946   3.144
  502    HA   GLN  73           HA       GLN  73 -14.895  10.906   2.525
  503    HB2  GLN  73           HB2      GLN  73 -13.545  12.975   2.511
  504    HB3  GLN  73           HB1      GLN  73 -12.652  12.358   1.126
  505    HG2  GLN  73           HG2      GLN  73 -14.718  12.315  -0.181
  506    HG3  GLN  73           HG1      GLN  73 -15.603  12.947   1.203
  507   HE21  GLN  73          HE21      GLN  73 -12.378  13.982   0.335
  508   HE22  GLN  73          HE22      GLN  73 -12.821  15.578  -0.164
  509    H    HIS  74           HN       HIS  74 -11.981   9.743   0.919
  510    HA   HIS  74           HA       HIS  74 -13.593   9.056  -1.427
  511    HB2  HIS  74           HB2      HIS  74 -10.592   9.218  -1.086
  512    HB3  HIS  74           HB1      HIS  74 -11.403   8.719  -2.573
  513    HD2  HIS  74           HD2      HIS  74 -13.700  11.063  -2.556
  514    HE1  HIS  74           HE1      HIS  74 -10.367  13.654  -2.620
  515    HE2  HIS  74           HE2      HIS  74 -12.813  13.405  -3.223
  516    H    ARG  75           HN       ARG  75 -12.951   7.503   1.300
  517    HA   ARG  75           HA       ARG  75 -12.198   4.968   0.101
  518    HB2  ARG  75           HB2      ARG  75 -12.215   4.049   2.314
  519    HB3  ARG  75           HB1      ARG  75 -11.385   5.594   2.369
  520    HG2  ARG  75           HG2      ARG  75 -13.437   6.629   3.251
  521    HG3  ARG  75           HG1      ARG  75 -14.204   5.041   3.259
  522    HD2  ARG  75           HD2      ARG  75 -12.371   4.243   4.746
  523    HD3  ARG  75           HD1      ARG  75 -11.777   5.894   4.832
  524    HE   ARG  75           HE       ARG  75 -14.400   6.075   5.574
  525   HH11  ARG  75          HH11      ARG  75 -11.646   4.234   6.691
  526   HH12  ARG  75          HH12      ARG  75 -12.210   4.125   8.326
  527   HH21  ARG  75          HH21      ARG  75 -15.164   5.925   7.719
  528   HH22  ARG  75          HH22      ARG  75 -14.209   5.105   8.915
  529    H    GLU  76           HN       GLU  76 -15.041   6.662   1.061
  530    HA   GLU  76           HA       GLU  76 -16.794   4.463   1.277
  531    HB2  GLU  76           HB2      GLU  76 -17.326   7.361   0.620
  532    HB3  GLU  76           HB1      GLU  76 -18.573   6.181   1.004
  533    HG2  GLU  76           HG2      GLU  76 -17.696   5.906   3.226
  534    HG3  GLU  76           HG1      GLU  76 -16.326   6.950   2.853
  535    H    GLY  77           HN       GLY  77 -17.602   3.204  -0.267
  536    HA2  GLY  77           HA2      GLY  77 -18.512   2.625  -2.323
  537    HA3  GLY  77           HA1      GLY  77 -18.165   4.248  -2.905
  538    H    MET  78           HN       MET  78 -15.298   3.707  -1.828
  539    HA   MET  78           HA       MET  78 -14.408   2.480  -4.344
  540    HB2  MET  78           HB2      MET  78 -12.928   4.272  -2.398
  541    HB3  MET  78           HB1      MET  78 -12.209   3.555  -3.833
  542    HG2  MET  78           HG2      MET  78 -14.540   5.466  -3.832
  543    HG3  MET  78           HG1      MET  78 -12.866   5.898  -4.181
  544    HE1  MET  78           HE1      MET  78 -12.179   3.996  -7.517
  545    HE2  MET  78           HE2      MET  78 -11.849   3.401  -5.891
  546    HE3  MET  78           HE3      MET  78 -11.533   5.088  -6.292
  547    H    LEU  79           HN       LEU  79 -13.960   2.294  -0.840
  548    HA   LEU  79           HA       LEU  79 -12.583  -0.279  -1.262
  549    HB2  LEU  79           HB2      LEU  79 -11.335   1.651  -0.111
  550    HB3  LEU  79           HB1      LEU  79 -12.448   1.420   1.226
  551    HG   LEU  79           HG       LEU  79 -11.615  -0.899   1.490
  552   HD11  LEU  79          HD11      LEU  79  -9.640  -0.081  -0.634
  553   HD12  LEU  79          HD12      LEU  79 -10.870  -1.336  -0.774
  554   HD13  LEU  79          HD13      LEU  79  -9.531  -1.536   0.354
  555   HD21  LEU  79          HD21      LEU  79 -10.674   0.818   2.868
  556   HD22  LEU  79          HD22      LEU  79  -9.579   1.316   1.580
  557   HD23  LEU  79          HD23      LEU  79  -9.373  -0.255   2.351
  558    H    PHE  80           HN       PHE  80 -13.393  -2.062  -0.211
  559    HA   PHE  80           HA       PHE  80 -15.502  -1.759   1.758
  560    HB2  PHE  80           HB2      PHE  80 -17.053  -3.248   0.492
  561    HB3  PHE  80           HB1      PHE  80 -16.795  -1.699  -0.293
  562    HD1  PHE  80           HD1      PHE  80 -15.602  -1.551  -2.403
  563    HD2  PHE  80           HD2      PHE  80 -16.209  -5.310  -0.487
  564    HE1  PHE  80           HE1      PHE  80 -14.966  -2.715  -4.471
  565    HE2  PHE  80           HE2      PHE  80 -15.580  -6.466  -2.555
  566    HZ   PHE  80           HZ       PHE  80 -15.015  -5.167  -4.567
  567    H    ILE  81           HN       ILE  81 -16.160  -3.961   2.610
  568    HA   ILE  81           HA       ILE  81 -13.741  -5.496   3.025
  569    HB   ILE  81           HB       ILE  81 -16.493  -5.711   4.229
  570   HG12  ILE  81          HG12      ILE  81 -15.046  -3.826   4.958
  571   HG13  ILE  81          HG11      ILE  81 -15.405  -4.954   6.257
  572   HG21  ILE  81          HG21      ILE  81 -15.604  -7.948   4.081
  573   HG22  ILE  81          HG22      ILE  81 -15.532  -7.395   5.754
  574   HG23  ILE  81          HG23      ILE  81 -14.070  -7.414   4.768
  575   HD11  ILE  81          HD11      ILE  81 -13.112  -4.302   6.395
  576   HD12  ILE  81          HD12      ILE  81 -12.838  -4.737   4.710
  577   HD13  ILE  81          HD13      ILE  81 -13.189  -5.992   5.898
  578    H    SER  82           HN       SER  82 -13.208  -7.272   2.024
  579    HA   SER  82           HA       SER  82 -14.680  -8.389  -0.092
  580    HB2  SER  82           HB2      SER  82 -12.306  -8.641  -0.100
  581    HB3  SER  82           HB1      SER  82 -12.314  -9.384   1.496
  582    HG   SER  82           HG       SER  82 -12.808 -10.490  -0.989
  583    H    LYS  83           HN       LYS  83 -16.261  -9.826  -0.110
  584    HA   LYS  83           HA       LYS  83 -17.249 -10.987   2.310
  585    HB2  LYS  83           HB2      LYS  83 -17.999 -11.460  -0.578
  586    HB3  LYS  83           HB1      LYS  83 -18.865 -12.122   0.803
  587    HG2  LYS  83           HG2      LYS  83 -19.400  -9.879   1.567
  588    HG3  LYS  83           HG1      LYS  83 -18.499  -9.192   0.216
  589    HD2  LYS  83           HD2      LYS  83 -20.047 -10.216  -1.357
  590    HD3  LYS  83           HD1      LYS  83 -20.923 -10.971  -0.026
  591    HE2  LYS  83           HE2      LYS  83 -20.624  -8.006  -0.491
  592    HE3  LYS  83           HE1      LYS  83 -22.063  -8.964  -0.826
  593    HZ1  LYS  83           HZ1      LYS  83 -22.253  -9.462   1.519
  594    HZ2  LYS  83           HZ2      LYS  83 -22.230  -7.790   1.281
  595    HZ3  LYS  83           HZ3      LYS  83 -20.849  -8.580   1.854
  596    H    LEU  84           HN       LEU  84 -14.951 -11.857  -0.059
  597    HA   LEU  84           HA       LEU  84 -15.122 -14.700   0.435
  598    HB2  LEU  84           HB2      LEU  84 -13.162 -13.086  -1.184
  599    HB3  LEU  84           HB1      LEU  84 -13.241 -14.837  -1.150
  600    HG   LEU  84           HG       LEU  84 -15.421 -13.011  -2.176
  601   HD11  LEU  84          HD11      LEU  84 -13.472 -14.770  -3.654
  602   HD12  LEU  84          HD12      LEU  84 -13.483 -13.008  -3.639
  603   HD13  LEU  84          HD13      LEU  84 -14.818 -13.891  -4.378
  604   HD21  LEU  84          HD21      LEU  84 -16.425 -15.094  -3.022
  605   HD22  LEU  84          HD22      LEU  84 -16.348 -15.051  -1.261
  606   HD23  LEU  84          HD23      LEU  84 -15.187 -16.018  -2.172
  607    H    ASP  85           HN       ASP  85 -12.596 -12.194   0.877
  608    HA   ASP  85           HA       ASP  85 -11.228 -14.075   2.688
  609    HB2  ASP  85           HB2      ASP  85 -10.127 -11.649   1.267
  610    HB3  ASP  85           HB1      ASP  85  -9.214 -12.672   2.363
  611    H    GLY  86           HN       GLY  86 -13.069 -11.250   2.746
  612    HA2  GLY  86           HA2      GLY  86 -13.657  -9.924   4.551
  613    HA3  GLY  86           HA1      GLY  86 -12.492 -10.800   5.533
  614    H    ARG  87           HN       ARG  87 -10.846  -9.932   2.881
  615    HA   ARG  87           HA       ARG  87  -9.314  -7.935   4.181
  616    HB2  ARG  87           HB2      ARG  87  -9.414  -8.879   1.320
  617    HB3  ARG  87           HB1      ARG  87  -8.266  -7.681   1.895
  618    HG2  ARG  87           HG2      ARG  87  -7.305  -9.302   3.421
  619    HG3  ARG  87           HG1      ARG  87  -8.490 -10.506   2.905
  620    HD2  ARG  87           HD2      ARG  87  -7.605 -10.498   0.673
  621    HD3  ARG  87           HD1      ARG  87  -6.527  -9.159   1.062
  622    HE   ARG  87           HE       ARG  87  -5.905 -11.199   2.822
  623   HH11  ARG  87          HH11      ARG  87  -5.934 -10.762  -0.649
  624   HH12  ARG  87          HH12      ARG  87  -4.575 -11.802  -0.926
  625   HH21  ARG  87          HH21      ARG  87  -4.095 -12.549   2.469
  626   HH22  ARG  87          HH22      ARG  87  -3.515 -12.810   0.855
  627    H    LEU  88           HN       LEU  88  -9.190  -5.728   3.819
  628    HA   LEU  88           HA       LEU  88 -11.404  -4.339   2.698
  629    HB2  LEU  88           HB2      LEU  88  -8.595  -3.486   3.387
  630    HB3  LEU  88           HB1      LEU  88  -9.787  -2.382   2.745
  631    HG   LEU  88           HG       LEU  88 -10.397  -3.935   5.224
  632   HD11  LEU  88          HD11      LEU  88  -8.842  -1.355   5.089
  633   HD12  LEU  88          HD12      LEU  88  -8.208  -2.916   5.609
  634   HD13  LEU  88          HD13      LEU  88  -9.460  -2.111   6.557
  635   HD21  LEU  88          HD21      LEU  88 -11.186  -1.188   4.254
  636   HD22  LEU  88          HD22      LEU  88 -11.803  -2.011   5.687
  637   HD23  LEU  88          HD23      LEU  88 -12.165  -2.645   4.084
  638    H    SER  89           HN       SER  89 -11.886  -4.467   0.605
  639    HA   SER  89           HA       SER  89  -9.665  -4.706  -1.309
  640    HB2  SER  89           HB2      SER  89 -11.018  -6.773  -1.034
  641    HB3  SER  89           HB1      SER  89 -12.448  -5.879  -1.549
  642    HG   SER  89           HG       SER  89 -10.294  -6.821  -3.024
  643    H    CYS  90           HN       CYS  90  -9.654  -3.375  -3.035
  644    HA   CYS  90           HA       CYS  90 -11.545  -1.171  -2.991
  645    HB2  CYS  90           HB2      CYS  90  -9.978  -0.002  -4.398
  646    HB3  CYS  90           HB1      CYS  90  -9.058  -0.792  -3.119
  647    H    THR  91           HN       THR  91 -12.211  -0.285  -5.174
  648    HA   THR  91           HA       THR  91 -13.667  -2.316  -6.563
  649    HB   THR  91           HB       THR  91 -14.397  -0.309  -7.965
  650    HG1  THR  91           HG1      THR  91 -13.087   1.347  -7.665
  651   HG21  THR  91          HG21      THR  91 -15.730  -1.209  -6.127
  652   HG22  THR  91          HG22      THR  91 -15.832   0.550  -6.173
  653   HG23  THR  91          HG23      THR  91 -14.809  -0.243  -4.975
  654    H    GLU  92           HN       GLU  92 -10.542  -1.682  -6.833
  655    HA   GLU  92           HA       GLU  92 -10.406  -1.619  -9.746
  656    HB2  GLU  92           HB2      GLU  92  -8.238  -1.545  -7.637
  657    HB3  GLU  92           HB1      GLU  92  -7.946  -1.493  -9.370
  658    HG2  GLU  92           HG2      GLU  92  -9.619   0.535  -7.915
  659    HG3  GLU  92           HG1      GLU  92  -7.889   0.719  -8.198
  660    H    HIS  93           HN       HIS  93 -11.145  -3.929  -7.722
  661    HA   HIS  93           HA       HIS  93  -9.441  -5.952  -9.028
  662    HB2  HIS  93           HB2      HIS  93 -10.633  -6.107  -6.249
  663    HB3  HIS  93           HB1      HIS  93  -9.632  -7.331  -7.014
  664    HD1  HIS  93           HD1      HIS  93  -7.525  -5.004  -8.061
  665    HD2  HIS  93           HD2      HIS  93  -8.822  -5.844  -4.204
  666    HE1  HIS  93           HE1      HIS  93  -5.733  -4.129  -6.491
  667    H    ASP  94           HN       ASP  94 -11.640  -5.250 -10.345
  668    HA   ASP  94           HA       ASP  94 -13.630  -7.323  -9.693
  669    HB2  ASP  94           HB2      ASP  94 -13.970  -4.623 -10.985
  670    HB3  ASP  94           HB1      ASP  94 -15.170  -5.894 -11.178
  Start of MODEL   12
    1    H1   GLY   1           HT1      GLY   1  11.210  -6.666  17.030
    2    H2   GLY   1           HT2      GLY   1  11.644  -6.627  15.394
    3    H3   GLY   1           HT3      GLY   1  11.159  -8.079  16.104
    4    HA2  GLY   1           HA1      GLY   1   9.386  -7.200  14.754
    5    HA3  GLY   1           HA2      GLY   1   8.937  -7.217  16.452
    6    H    ALA   2           HN       ALA   2  11.137  -4.832  16.312
    7    HA   ALA   2           HA       ALA   2   9.080  -2.793  16.255
    8    HB1  ALA   2           HB1      ALA   2  10.817  -1.296  17.063
    9    HB2  ALA   2           HB2      ALA   2  12.036  -2.542  16.800
   10    HB3  ALA   2           HB3      ALA   2  10.783  -2.777  18.018
   11    H    MET   3           HN       MET   3  11.761  -3.887  14.316
   12    HA   MET   3           HA       MET   3  11.207  -1.745  12.375
   13    HB2  MET   3           HB2      MET   3  13.677  -3.467  12.656
   14    HB3  MET   3           HB1      MET   3  13.435  -2.228  11.437
   15    HG2  MET   3           HG2      MET   3  13.622  -1.800  14.410
   16    HG3  MET   3           HG1      MET   3  14.849  -1.411  13.210
   17    HE1  MET   3           HE1      MET   3  13.023  -0.216  10.820
   18    HE2  MET   3           HE2      MET   3  14.574   0.429  11.356
   19    HE3  MET   3           HE3      MET   3  13.179   1.497  11.207
   20    H    GLU   4           HN       GLU   4   9.298  -3.260  12.022
   21    HA   GLU   4           HA       GLU   4   9.726  -5.782  10.826
   22    HB2  GLU   4           HB2      GLU   4   7.338  -3.965  10.942
   23    HB3  GLU   4           HB1      GLU   4   7.301  -5.513  10.111
   24    HG2  GLU   4           HG2      GLU   4   7.945  -5.104  13.018
   25    HG3  GLU   4           HG1      GLU   4   6.401  -5.659  12.371
   26    H    ARG   5           HN       ARG   5  10.311  -6.290   8.870
   27    HA   ARG   5           HA       ARG   5   9.660  -4.502   6.649
   28    HB2  ARG   5           HB2      ARG   5  11.958  -3.970   7.162
   29    HB3  ARG   5           HB1      ARG   5  12.386  -5.674   7.230
   30    HG2  ARG   5           HG2      ARG   5  11.939  -5.893   4.845
   31    HG3  ARG   5           HG1      ARG   5  11.478  -4.192   4.770
   32    HD2  ARG   5           HD2      ARG   5  13.698  -3.495   5.310
   33    HD3  ARG   5           HD1      ARG   5  14.188  -5.151   5.665
   34    HE   ARG   5           HE       ARG   5  13.700  -5.571   3.220
   35   HH11  ARG   5          HH11      ARG   5  14.783  -2.459   4.413
   36   HH12  ARG   5          HH12      ARG   5  15.512  -1.997   2.908
   37   HH21  ARG   5          HH21      ARG   5  14.659  -4.974   1.248
   38   HH22  ARG   5          HH22      ARG   5  15.433  -3.428   1.103
   39    H    GLU   6           HN       GLU   6   8.397  -5.665   5.399
   40    HA   GLU   6           HA       GLU   6   8.272  -8.485   5.370
   41    HB2  GLU   6           HB2      GLU   6   6.440  -6.858   4.775
   42    HB3  GLU   6           HB1      GLU   6   7.280  -6.559   3.262
   43    HG2  GLU   6           HG2      GLU   6   6.800  -8.675   2.437
   44    HG3  GLU   6           HG1      GLU   6   6.459  -9.325   4.043
   45    H    ASP   7           HN       ASP   7   8.875  -9.931   3.622
   46    HA   ASP   7           HA       ASP   7  11.257  -8.937   2.198
   47    HB2  ASP   7           HB2      ASP   7  10.656 -11.735   3.164
   48    HB3  ASP   7           HB1      ASP   7  12.060 -11.287   2.205
   49    H    GLU   8           HN       GLU   8   8.548  -8.784   1.246
   50    HA   GLU   8           HA       GLU   8   9.026  -9.848  -1.380
   51    HB2  GLU   8           HB2      GLU   8   7.918 -11.743  -0.190
   52    HB3  GLU   8           HB1      GLU   8   6.549 -10.692   0.141
   53    HG2  GLU   8           HG2      GLU   8   6.156 -10.455  -2.258
   54    HG3  GLU   8           HG1      GLU   8   7.519 -11.524  -2.584
   55    H    CYS   9           HN       CYS   9   7.705  -8.783  -2.956
   56    HA   CYS   9           HA       CYS   9   6.828  -6.190  -2.028
   57    HB2  CYS   9           HB2      CYS   9   8.083  -6.297  -4.107
   58    HB3  CYS   9           HB1      CYS   9   6.900  -7.416  -4.785
   59    H    PHE  10           HN       PHE  10   4.857  -5.893  -1.317
   60    HA   PHE  10           HA       PHE  10   2.750  -7.745  -1.608
   61    HB2  PHE  10           HB2      PHE  10   2.810  -6.294   0.302
   62    HB3  PHE  10           HB1      PHE  10   2.835  -4.856  -0.709
   63    HD1  PHE  10           HD1      PHE  10   0.876  -3.690  -0.986
   64    HD2  PHE  10           HD2      PHE  10   0.698  -7.833  -0.036
   65    HE1  PHE  10           HE1      PHE  10  -1.572  -3.553  -0.841
   66    HE2  PHE  10           HE2      PHE  10  -1.747  -7.699   0.110
   67    HZ   PHE  10           HZ       PHE  10  -2.878  -5.512  -0.262
   68    H    SER  11           HN       SER  11   3.864  -5.179  -3.595
   69    HA   SER  11           HA       SER  11   1.389  -4.720  -4.970
   70    HB2  SER  11           HB2      SER  11   3.124  -2.964  -4.713
   71    HB3  SER  11           HB1      SER  11   4.197  -3.909  -5.739
   72    HG   SER  11           HG       SER  11   2.205  -3.758  -7.238
   73    H    CYS  12           HN       CYS  12   4.172  -6.819  -5.435
   74    HA   CYS  12           HA       CYS  12   3.081  -7.566  -8.075
   75    HB2  CYS  12           HB2      CYS  12   5.969  -7.710  -7.196
   76    HB3  CYS  12           HB1      CYS  12   5.344  -8.080  -8.803
   77    H    GLY  13           HN       GLY  13   4.214  -8.739  -4.999
   78    HA2  GLY  13           HA2      GLY  13   3.847 -10.868  -4.105
   79    HA3  GLY  13           HA1      GLY  13   3.406 -11.444  -5.710
   80    H    ASP  14           HN       ASP  14   6.200  -9.656  -5.896
   81    HA   ASP  14           HA       ASP  14   7.845 -12.097  -5.865
   82    HB2  ASP  14           HB2      ASP  14   8.029  -9.663  -7.651
   83    HB3  ASP  14           HB1      ASP  14   9.242 -10.937  -7.603
   84    H    ALA  15           HN       ALA  15  10.049 -11.864  -5.244
   85    HA   ALA  15           HA       ALA  15  10.536  -9.542  -3.505
   86    HB1  ALA  15           HB1      ALA  15  10.367 -11.656  -2.289
   87    HB2  ALA  15           HB2      ALA  15  11.988 -10.971  -2.180
   88    HB3  ALA  15           HB3      ALA  15  11.673 -12.324  -3.268
   89    H    GLY  16           HN       GLY  16  12.795  -8.854  -3.336
   90    HA2  GLY  16           HA2      GLY  16  14.946  -9.457  -4.825
   91    HA3  GLY  16           HA1      GLY  16  13.911  -8.644  -5.993
   92    H    GLN  17           HN       GLN  17  14.546  -6.602  -6.256
   93    HA   GLN  17           HA       GLN  17  15.928  -5.161  -4.198
   94    HB2  GLN  17           HB2      GLN  17  16.497  -4.826  -6.557
   95    HB3  GLN  17           HB1      GLN  17  14.876  -4.230  -6.870
   96    HG2  GLN  17           HG2      GLN  17  15.264  -2.320  -5.444
   97    HG3  GLN  17           HG1      GLN  17  16.866  -2.929  -5.031
   98   HE21  GLN  17          HE21      GLN  17  14.903  -1.471  -7.504
   99   HE22  GLN  17          HE22      GLN  17  16.208  -1.003  -8.540
  100    H    LEU  18           HN       LEU  18  14.485  -5.070  -2.500
  101    HA   LEU  18           HA       LEU  18  11.966  -3.650  -2.965
  102    HB2  LEU  18           HB2      LEU  18  12.852  -5.310  -0.606
  103    HB3  LEU  18           HB1      LEU  18  11.283  -4.541  -0.774
  104    HG   LEU  18           HG       LEU  18  12.280  -6.609  -2.719
  105   HD11  LEU  18          HD11      LEU  18  10.870  -8.213  -1.520
  106   HD12  LEU  18          HD12      LEU  18  10.589  -7.010  -0.265
  107   HD13  LEU  18          HD13      LEU  18  12.212  -7.641  -0.532
  108   HD21  LEU  18          HD21      LEU  18   9.914  -6.806  -3.258
  109   HD22  LEU  18          HD22      LEU  18  10.506  -5.166  -3.522
  110   HD23  LEU  18          HD23      LEU  18   9.544  -5.538  -2.092
  111    H    VAL  19           HN       VAL  19  11.422  -1.840  -1.863
  112    HA   VAL  19           HA       VAL  19  13.470  -0.644  -0.121
  113    HB   VAL  19           HB       VAL  19  13.227   0.685  -2.130
  114   HG11  VAL  19          HG11      VAL  19  10.284   0.764  -1.495
  115   HG12  VAL  19          HG12      VAL  19  11.054   0.020  -2.899
  116   HG13  VAL  19          HG13      VAL  19  11.078   1.773  -2.705
  117   HG21  VAL  19          HG21      VAL  19  13.612   1.912  -0.084
  118   HG22  VAL  19          HG22      VAL  19  11.879   1.993   0.225
  119   HG23  VAL  19          HG23      VAL  19  12.567   2.847  -1.154
  120    H    SER  20           HN       SER  20  12.879  -0.142   1.909
  121    HA   SER  20           HA       SER  20  10.197  -1.007   2.691
  122    HB2  SER  20           HB2      SER  20  12.062  -2.212   3.701
  123    HB3  SER  20           HB1      SER  20  12.731  -0.706   4.320
  124    HG   SER  20           HG       SER  20  10.877  -0.495   5.628
  125    H    CYS  21           HN       CYS  21   8.963   0.115   4.169
  126    HA   CYS  21           HA       CYS  21   9.014   2.960   3.896
  127    HB2  CYS  21           HB2      CYS  21   6.971   1.395   4.137
  128    HB3  CYS  21           HB1      CYS  21   7.338   1.392   5.861
  129    H    LYS  22           HN       LYS  22   9.567   4.508   5.449
  130    HA   LYS  22           HA       LYS  22  11.331   3.499   7.537
  131    HB2  LYS  22           HB2      LYS  22  11.970   5.334   5.879
  132    HB3  LYS  22           HB1      LYS  22  10.889   6.384   6.781
  133    HG2  LYS  22           HG2      LYS  22  13.159   6.726   7.506
  134    HG3  LYS  22           HG1      LYS  22  12.229   5.985   8.809
  135    HD2  LYS  22           HD2      LYS  22  13.159   3.800   8.234
  136    HD3  LYS  22           HD1      LYS  22  14.071   4.529   6.914
  137    HE2  LYS  22           HE2      LYS  22  15.255   5.937   8.560
  138    HE3  LYS  22           HE1      LYS  22  14.385   5.113   9.854
  139    HZ1  LYS  22           HZ1      LYS  22  16.302   3.894   7.945
  140    HZ2  LYS  22           HZ2      LYS  22  15.381   3.016   9.056
  141    HZ3  LYS  22           HZ3      LYS  22  16.530   4.124   9.607
  142    H    LYS  23           HN       LYS  23   8.208   3.768   7.538
  143    HA   LYS  23           HA       LYS  23   7.991   5.303  10.026
  144    HB2  LYS  23           HB2      LYS  23   6.410   5.937   8.253
  145    HB3  LYS  23           HB1      LYS  23   5.789   4.291   8.216
  146    HG2  LYS  23           HG2      LYS  23   4.949   4.496  10.459
  147    HG3  LYS  23           HG1      LYS  23   5.694   6.084  10.633
  148    HD2  LYS  23           HD2      LYS  23   3.491   5.366   8.697
  149    HD3  LYS  23           HD1      LYS  23   3.291   6.254  10.208
  150    HE2  LYS  23           HE2      LYS  23   4.790   8.013   9.348
  151    HE3  LYS  23           HE1      LYS  23   4.912   7.142   7.822
  152    HZ1  LYS  23           HZ1      LYS  23   2.476   7.375   7.611
  153    HZ2  LYS  23           HZ2      LYS  23   3.297   8.853   7.597
  154    HZ3  LYS  23           HZ3      LYS  23   2.470   8.353   8.989
  155    HA   PRO  24           HA       PRO  24   8.014   1.407  12.298
  156    HB2  PRO  24           HB2      PRO  24   6.890   3.322  14.296
  157    HB3  PRO  24           HB1      PRO  24   8.173   2.123  14.491
  158    HG2  PRO  24           HG2      PRO  24   8.790   4.682  14.268
  159    HG3  PRO  24           HG1      PRO  24   9.758   3.456  13.427
  160    HD2  PRO  24           HD2      PRO  24   7.684   5.319  12.325
  161    HD3  PRO  24           HD1      PRO  24   9.218   4.783  11.604
  162    H    GLY  25           HN       GLY  25   6.428  -0.085  12.531
  163    HA2  GLY  25           HA2      GLY  25   4.236  -0.807  13.093
  164    HA3  GLY  25           HA1      GLY  25   3.651   0.829  12.796
  165    H    CYS  26           HN       CYS  26   5.372   0.784  10.266
  166    HA   CYS  26           HA       CYS  26   3.387  -0.550   8.577
  167    HB2  CYS  26           HB2      CYS  26   4.137   1.871   8.237
  168    HB3  CYS  26           HB1      CYS  26   5.681   1.210   7.704
  169    HA   PRO  27           HA       PRO  27   6.689  -3.610   8.165
  170    HB2  PRO  27           HB2      PRO  27   5.149  -5.773   8.267
  171    HB3  PRO  27           HB1      PRO  27   5.343  -4.762   9.707
  172    HG2  PRO  27           HG2      PRO  27   3.039  -4.966   7.827
  173    HG3  PRO  27           HG1      PRO  27   3.038  -4.675   9.581
  174    HD2  PRO  27           HD2      PRO  27   2.854  -2.724   7.510
  175    HD3  PRO  27           HD1      PRO  27   3.047  -2.432   9.255
  176    H    LYS  28           HN       LYS  28   5.358  -2.182   5.857
  177    HA   LYS  28           HA       LYS  28   5.115  -4.428   3.983
  178    HB2  LYS  28           HB2      LYS  28   3.416  -2.243   4.430
  179    HB3  LYS  28           HB1      LYS  28   4.214  -1.905   2.886
  180    HG2  LYS  28           HG2      LYS  28   2.067  -3.138   2.651
  181    HG3  LYS  28           HG1      LYS  28   3.456  -3.986   1.964
  182    HD2  LYS  28           HD2      LYS  28   3.595  -5.412   3.931
  183    HD3  LYS  28           HD1      LYS  28   2.275  -4.523   4.691
  184    HE2  LYS  28           HE2      LYS  28   0.697  -5.376   3.195
  185    HE3  LYS  28           HE1      LYS  28   1.933  -5.885   2.044
  186    HZ1  LYS  28           HZ1      LYS  28   1.504  -7.073   4.731
  187    HZ2  LYS  28           HZ2      LYS  28   2.654  -7.580   3.594
  188    HZ3  LYS  28           HZ3      LYS  28   1.005  -7.759   3.271
  189    H    VAL  29           HN       VAL  29   6.118  -4.384   1.984
  190    HA   VAL  29           HA       VAL  29   8.184  -2.345   1.570
  191    HB   VAL  29           HB       VAL  29   9.003  -4.518   2.754
  192   HG11  VAL  29          HG11      VAL  29   8.924  -5.491  -0.083
  193   HG12  VAL  29          HG12      VAL  29   7.908  -6.079   1.229
  194   HG13  VAL  29          HG13      VAL  29   9.655  -6.317   1.293
  195   HG21  VAL  29          HG21      VAL  29  10.335  -3.272   0.381
  196   HG22  VAL  29          HG22      VAL  29  11.133  -4.449   1.425
  197   HG23  VAL  29          HG23      VAL  29  10.577  -2.915   2.091
  198    H    TYR  30           HN       TYR  30   8.909  -2.250  -0.668
  199    HA   TYR  30           HA       TYR  30   7.274  -3.640  -2.656
  200    HB2  TYR  30           HB2      TYR  30   7.286  -0.624  -2.365
  201    HB3  TYR  30           HB1      TYR  30   6.595  -1.499  -3.724
  202    HD1  TYR  30           HD1      TYR  30   4.662  -3.124  -3.202
  203    HD2  TYR  30           HD2      TYR  30   5.982  -0.109  -0.506
  204    HE1  TYR  30           HE1      TYR  30   2.502  -3.220  -2.046
  205    HE2  TYR  30           HE2      TYR  30   3.819  -0.200   0.663
  206    HH   TYR  30           HH       TYR  30   1.498  -0.885   0.200
  207    H    HIS  31           HN       HIS  31   7.987  -3.021  -4.896
  208    HA   HIS  31           HA       HIS  31  10.856  -2.545  -5.023
  209    HB2  HIS  31           HB2      HIS  31   8.894  -2.902  -7.310
  210    HB3  HIS  31           HB1      HIS  31  10.650  -2.926  -7.433
  211    HD2  HIS  31           HD2      HIS  31  11.675  -5.163  -5.667
  212    HE1  HIS  31           HE1      HIS  31   8.385  -7.499  -6.949
  213    HE2  HIS  31           HE2      HIS  31  10.788  -7.567  -6.130
  214    H    ALA  32           HN       ALA  32  11.771  -0.740  -5.987
  215    HA   ALA  32           HA       ALA  32  10.384   1.697  -5.823
  216    HB1  ALA  32           HB1      ALA  32  12.808   1.534  -5.603
  217    HB2  ALA  32           HB2      ALA  32  12.363   2.672  -6.873
  218    HB3  ALA  32           HB3      ALA  32  12.935   1.059  -7.296
  219    H    ASP  33           HN       ASP  33  10.876  -0.596  -8.385
  220    HA   ASP  33           HA       ASP  33  10.240   1.068 -10.574
  221    HB2  ASP  33           HB2      ASP  33  11.427  -1.051 -10.858
  222    HB3  ASP  33           HB1      ASP  33   9.997  -1.935 -10.344
  223    H    CYS  34           HN       CYS  34   8.207  -1.180  -8.688
  224    HA   CYS  34           HA       CYS  34   5.922  -0.725 -10.342
  225    HB2  CYS  34           HB2      CYS  34   4.759  -1.883  -8.289
  226    HB3  CYS  34           HB1      CYS  34   5.848  -2.822  -9.309
  227    H    LEU  35           HN       LEU  35   7.328   0.887  -7.673
  228    HA   LEU  35           HA       LEU  35   4.943   2.421  -7.057
  229    HB2  LEU  35           HB2      LEU  35   7.791   2.798  -6.147
  230    HB3  LEU  35           HB1      LEU  35   6.388   3.618  -5.494
  231    HG   LEU  35           HG       LEU  35   6.849   0.643  -5.331
  232   HD11  LEU  35          HD11      LEU  35   8.524   1.700  -4.032
  233   HD12  LEU  35          HD12      LEU  35   7.263   1.179  -2.915
  234   HD13  LEU  35          HD13      LEU  35   7.375   2.871  -3.390
  235   HD21  LEU  35          HD21      LEU  35   4.842   2.436  -3.971
  236   HD22  LEU  35          HD22      LEU  35   5.050   0.712  -3.673
  237   HD23  LEU  35          HD23      LEU  35   4.488   1.273  -5.247
  238    H    ASN  36           HN       ASN  36   7.152   2.410  -9.473
  239    HA   ASN  36           HA       ASN  36   7.797   3.815 -11.108
  240    HB2  ASN  36           HB2      ASN  36   5.434   5.396 -10.098
  241    HB3  ASN  36           HB1      ASN  36   6.350   5.834 -11.534
  242   HD21  ASN  36          HD21      ASN  36   4.076   3.633 -10.144
  243   HD22  ASN  36          HD22      ASN  36   3.648   2.823 -11.610
  244    H    LEU  37           HN       LEU  37   9.140   3.987  -8.633
  245    HA   LEU  37           HA       LEU  37   9.624   6.767  -8.058
  246    HB2  LEU  37           HB2      LEU  37  10.944   4.230  -7.128
  247    HB3  LEU  37           HB1      LEU  37  11.491   5.818  -6.635
  248    HG   LEU  37           HG       LEU  37   8.786   4.606  -6.048
  249   HD11  LEU  37          HD11      LEU  37   9.534   4.582  -3.746
  250   HD12  LEU  37          HD12      LEU  37  11.081   5.282  -4.215
  251   HD13  LEU  37          HD13      LEU  37  10.653   3.658  -4.748
  252   HD21  LEU  37          HD21      LEU  37   8.599   7.007  -6.369
  253   HD22  LEU  37          HD22      LEU  37   9.942   7.275  -5.256
  254   HD23  LEU  37          HD23      LEU  37   8.426   6.595  -4.663
  255    H    THR  38           HN       THR  38  10.228   7.422 -10.228
  256    HA   THR  38           HA       THR  38  12.675   6.516 -11.377
  257    HB   THR  38           HB       THR  38  11.312   9.173 -11.852
  258    HG1  THR  38           HG1      THR  38  10.723   6.556 -12.777
  259   HG21  THR  38          HG21      THR  38  13.069   7.462 -13.617
  260   HG22  THR  38          HG22      THR  38  13.550   8.961 -12.823
  261   HG23  THR  38          HG23      THR  38  12.314   8.989 -14.079
  262    H    LYS  39           HN       LYS  39  11.778   8.915  -9.007
  263    HA   LYS  39           HA       LYS  39  14.586   9.747  -8.802
  264    HB2  LYS  39           HB2      LYS  39  12.879  11.551  -9.130
  265    HB3  LYS  39           HB1      LYS  39  12.173  11.094  -7.586
  266    HG2  LYS  39           HG2      LYS  39  14.334  11.604  -6.491
  267    HG3  LYS  39           HG1      LYS  39  14.951  12.163  -8.047
  268    HD2  LYS  39           HD2      LYS  39  13.136  13.841  -8.119
  269    HD3  LYS  39           HD1      LYS  39  12.620  13.313  -6.517
  270    HE2  LYS  39           HE2      LYS  39  15.274  14.545  -7.250
  271    HE3  LYS  39           HE1      LYS  39  13.981  15.299  -6.322
  272    HZ1  LYS  39           HZ1      LYS  39  15.550  12.920  -5.486
  273    HZ2  LYS  39           HZ2      LYS  39  14.301  13.633  -4.599
  274    HZ3  LYS  39           HZ3      LYS  39  15.730  14.489  -4.883
  275    H    ARG  40           HN       ARG  40  15.720   9.274  -7.021
  276    HA   ARG  40           HA       ARG  40  14.605   7.374  -5.172
  277    HB2  ARG  40           HB2      ARG  40  16.852   7.042  -6.028
  278    HB3  ARG  40           HB1      ARG  40  17.354   8.606  -5.401
  279    HG2  ARG  40           HG2      ARG  40  16.841   7.737  -3.103
  280    HG3  ARG  40           HG1      ARG  40  16.627   6.146  -3.836
  281    HD2  ARG  40           HD2      ARG  40  18.878   6.385  -2.945
  282    HD3  ARG  40           HD1      ARG  40  18.915   6.244  -4.703
  283    HE   ARG  40           HE       ARG  40  18.846   8.956  -4.097
  284   HH11  ARG  40          HH11      ARG  40  20.995   6.244  -3.601
  285   HH12  ARG  40          HH12      ARG  40  22.433   7.218  -3.617
  286   HH21  ARG  40          HH21      ARG  40  20.720  10.241  -4.110
  287   HH22  ARG  40          HH22      ARG  40  22.276   9.498  -3.905
  288    HA   PRO  41           HA       PRO  41  13.628  10.493  -2.064
  289    HB2  PRO  41           HB2      PRO  41  13.009   8.749  -0.076
  290    HB3  PRO  41           HB1      PRO  41  11.896   9.141  -1.391
  291    HG2  PRO  41           HG2      PRO  41  13.716   6.780  -1.085
  292    HG3  PRO  41           HG1      PRO  41  12.021   6.826  -1.618
  293    HD2  PRO  41           HD2      PRO  41  14.055   6.634  -3.378
  294    HD3  PRO  41           HD1      PRO  41  12.578   7.545  -3.757
  295    H    ALA  42           HN       ALA  42  14.447  11.082   0.067
  296    HA   ALA  42           HA       ALA  42  17.054   9.864   0.683
  297    HB1  ALA  42           HB1      ALA  42  17.945  12.115   1.127
  298    HB2  ALA  42           HB2      ALA  42  16.423  12.811   0.569
  299    HB3  ALA  42           HB3      ALA  42  17.446  11.913  -0.552
  300    H    GLY  43           HN       GLY  43  17.280   9.312   2.774
  301    HA2  GLY  43           HA2      GLY  43  17.163   9.560   5.090
  302    HA3  GLY  43           HA1      GLY  43  16.084  10.929   4.859
  303    H    LYS  44           HN       LYS  44  14.009  10.647   5.315
  304    HA   LYS  44           HA       LYS  44  13.102   7.922   5.854
  305    HB2  LYS  44           HB2      LYS  44  11.797  10.557   6.549
  306    HB3  LYS  44           HB1      LYS  44  11.228   8.968   7.037
  307    HG2  LYS  44           HG2      LYS  44  13.441   8.679   8.221
  308    HG3  LYS  44           HG1      LYS  44  13.714  10.396   7.925
  309    HD2  LYS  44           HD2      LYS  44  11.386   9.204   9.431
  310    HD3  LYS  44           HD1      LYS  44  12.775  10.019  10.149
  311    HE2  LYS  44           HE2      LYS  44  12.157  12.097   9.084
  312    HE3  LYS  44           HE1      LYS  44  10.841  11.302   8.223
  313    HZ1  LYS  44           HZ1      LYS  44  10.029  12.505  10.146
  314    HZ2  LYS  44           HZ2      LYS  44  11.038  11.615  11.168
  315    HZ3  LYS  44           HZ3      LYS  44   9.780  10.844  10.344
  316    H    TRP  45           HN       TRP  45  12.104   6.921   4.264
  317    HA   TRP  45           HA       TRP  45  10.507   8.476   2.381
  318    HB2  TRP  45           HB2      TRP  45  12.078   7.031   1.285
  319    HB3  TRP  45           HB1      TRP  45  11.583   5.657   2.265
  320    HD1  TRP  45           HD1      TRP  45  10.046   7.994  -0.426
  321    HE1  TRP  45           HE1      TRP  45   8.360   6.622  -1.798
  322    HE3  TRP  45           HE3      TRP  45  10.328   3.583   2.132
  323    HZ2  TRP  45           HZ2      TRP  45   7.306   4.008  -1.806
  324    HZ3  TRP  45           HZ3      TRP  45   8.952   1.688   1.371
  325    HH2  TRP  45           HH2      TRP  45   7.470   1.897  -0.553
  326    H    GLU  46           HN       GLU  46   8.370   8.438   2.435
  327    HA   GLU  46           HA       GLU  46   7.043   6.534   4.233
  328    HB2  GLU  46           HB2      GLU  46   6.791   9.031   4.577
  329    HB3  GLU  46           HB1      GLU  46   5.926   9.081   3.048
  330    HG2  GLU  46           HG2      GLU  46   4.179   7.706   3.916
  331    HG3  GLU  46           HG1      GLU  46   5.085   7.418   5.402
  332    H    CYS  47           HN       CYS  47   5.856   4.932   3.337
  333    HA   CYS  47           HA       CYS  47   5.874   4.571   0.529
  334    HB2  CYS  47           HB2      CYS  47   4.822   2.481   0.903
  335    HB3  CYS  47           HB1      CYS  47   5.863   2.732   2.297
  336    HA   PRO  48           HA       PRO  48   2.193   6.643  -0.731
  337    HB2  PRO  48           HB2      PRO  48   1.521   5.142  -2.914
  338    HB3  PRO  48           HB1      PRO  48   2.838   6.322  -2.908
  339    HG2  PRO  48           HG2      PRO  48   2.946   3.354  -2.649
  340    HG3  PRO  48           HG1      PRO  48   4.034   4.451  -3.518
  341    HD2  PRO  48           HD2      PRO  48   4.625   3.374  -1.092
  342    HD3  PRO  48           HD1      PRO  48   5.241   4.948  -1.633
  343    H    TRP  49           HN       TRP  49   2.200   3.611   0.586
  344    HA   TRP  49           HA       TRP  49  -0.573   2.928   0.230
  345    HB2  TRP  49           HB2      TRP  49   1.477   1.375   0.784
  346    HB3  TRP  49           HB1      TRP  49   1.166   1.868   2.450
  347    HD1  TRP  49           HD1      TRP  49  -1.532   0.962  -0.185
  348    HE1  TRP  49           HE1      TRP  49  -2.858  -1.066   0.695
  349    HE3  TRP  49           HE3      TRP  49   1.147   0.021   4.078
  350    HZ2  TRP  49           HZ2      TRP  49  -2.787  -2.815   2.904
  351    HZ3  TRP  49           HZ3      TRP  49   0.448  -1.844   5.519
  352    HH2  TRP  49           HH2      TRP  49  -1.480  -3.236   4.940
  353    H    HIS  50           HN       HIS  50   1.070   5.242   1.996
  354    HA   HIS  50           HA       HIS  50  -1.097   5.466   3.966
  355    HB2  HIS  50           HB2      HIS  50   1.433   7.116   3.776
  356    HB3  HIS  50           HB1      HIS  50   0.268   7.115   5.101
  357    HD1  HIS  50           HD1      HIS  50   0.116   3.934   5.380
  358    HD2  HIS  50           HD2      HIS  50   3.548   6.256   5.175
  359    HE1  HIS  50           HE1      HIS  50   1.953   2.592   6.500
  360    H    GLN  51           HN       GLN  51  -0.829   6.214   0.923
  361    HA   GLN  51           HA       GLN  51  -1.785   8.980   1.222
  362    HB2  GLN  51           HB2      GLN  51  -0.155   7.829  -1.043
  363    HB3  GLN  51           HB1      GLN  51  -0.841   9.447  -1.015
  364    HG2  GLN  51           HG2      GLN  51   1.093   8.428   1.037
  365    HG3  GLN  51           HG1      GLN  51   1.576   9.299  -0.416
  366   HE21  GLN  51          HE21      GLN  51  -0.030   9.546   2.684
  367   HE22  GLN  51          HE22      GLN  51  -0.024  11.273   2.750
  368    H    CYS  52           HN       CYS  52  -3.633   9.513   0.310
  369    HA   CYS  52           HA       CYS  52  -5.367   7.527  -0.727
  370    HB2  CYS  52           HB2      CYS  52  -6.177   9.524   0.464
  371    HB3  CYS  52           HB1      CYS  52  -5.566  10.544  -0.827
  372    H    ASP  53           HN       ASP  53  -5.333   6.699  -2.702
  373    HA   ASP  53           HA       ASP  53  -3.549   7.640  -4.693
  374    HB2  ASP  53           HB2      ASP  53  -4.368   5.250  -4.362
  375    HB3  ASP  53           HB1      ASP  53  -5.854   5.743  -5.168
  376    H    VAL  54           HN       VAL  54  -6.574   8.757  -3.807
  377    HA   VAL  54           HA       VAL  54  -7.309   9.660  -6.472
  378    HB   VAL  54           HB       VAL  54  -8.732  10.108  -3.845
  379   HG11  VAL  54          HG11      VAL  54  -9.608  10.598  -6.687
  380   HG12  VAL  54          HG12      VAL  54  -9.271  11.825  -5.463
  381   HG13  VAL  54          HG13      VAL  54 -10.640  10.731  -5.263
  382   HG21  VAL  54          HG21      VAL  54  -9.281   8.129  -6.053
  383   HG22  VAL  54          HG22      VAL  54 -10.306   8.409  -4.644
  384   HG23  VAL  54          HG23      VAL  54  -8.683   7.748  -4.439
  385    H    CYS  55           HN       CYS  55  -6.710  11.187  -3.267
  386    HA   CYS  55           HA       CYS  55  -6.401  13.715  -4.737
  387    HB2  CYS  55           HB2      CYS  55  -7.135  14.876  -2.733
  388    HB3  CYS  55           HB1      CYS  55  -8.315  13.671  -3.229
  389    H    GLY  56           HN       GLY  56  -4.601  11.474  -2.955
  390    HA2  GLY  56           HA2      GLY  56  -2.319  11.559  -2.541
  391    HA3  GLY  56           HA1      GLY  56  -2.333  13.262  -2.976
  392    H    LYS  57           HN       LYS  57  -4.745  12.913  -0.763
  393    HA   LYS  57           HA       LYS  57  -3.168  13.972   1.386
  394    HB2  LYS  57           HB2      LYS  57  -6.060  13.110   1.276
  395    HB3  LYS  57           HB1      LYS  57  -5.307  13.853   2.679
  396    HG2  LYS  57           HG2      LYS  57  -4.837  15.858   1.352
  397    HG3  LYS  57           HG1      LYS  57  -5.640  15.112  -0.033
  398    HD2  LYS  57           HD2      LYS  57  -7.714  14.954   1.269
  399    HD3  LYS  57           HD1      LYS  57  -6.907  15.724   2.635
  400    HE2  LYS  57           HE2      LYS  57  -6.548  17.733   1.300
  401    HE3  LYS  57           HE1      LYS  57  -7.321  16.963  -0.084
  402    HZ1  LYS  57           HZ1      LYS  57  -9.373  16.833   1.167
  403    HZ2  LYS  57           HZ2      LYS  57  -8.838  18.435   1.095
  404    HZ3  LYS  57           HZ3      LYS  57  -8.636  17.539   2.515
  405    H    GLU  58           HN       GLU  58  -3.471  12.973   3.638
  406    HA   GLU  58           HA       GLU  58  -2.253  10.447   3.657
  407    HB2  GLU  58           HB2      GLU  58  -2.068  12.169   5.458
  408    HB3  GLU  58           HB1      GLU  58  -3.715  11.783   5.935
  409    HG2  GLU  58           HG2      GLU  58  -3.014   9.470   6.395
  410    HG3  GLU  58           HG1      GLU  58  -1.358   9.915   5.982
  411    H    ALA  59           HN       ALA  59  -3.051   8.465   3.624
  412    HA   ALA  59           HA       ALA  59  -5.866   8.093   3.186
  413    HB1  ALA  59           HB1      ALA  59  -3.584   6.135   3.283
  414    HB2  ALA  59           HB2      ALA  59  -4.290   6.871   1.840
  415    HB3  ALA  59           HB3      ALA  59  -5.240   5.747   2.812
  416    H    ALA  60           HN       ALA  60  -7.301   6.965   4.428
  417    HA   ALA  60           HA       ALA  60  -6.472   6.399   7.194
  418    HB1  ALA  60           HB1      ALA  60  -8.820   6.681   7.793
  419    HB2  ALA  60           HB2      ALA  60  -9.222   6.973   6.101
  420    HB3  ALA  60           HB3      ALA  60  -8.200   8.114   6.973
  421    H    SER  61           HN       SER  61  -7.930   5.106   4.312
  422    HA   SER  61           HA       SER  61  -8.110   2.482   5.627
  423    HB2  SER  61           HB2      SER  61  -9.788   1.931   3.870
  424    HB3  SER  61           HB1      SER  61 -10.301   3.250   4.915
  425    HG   SER  61           HG       SER  61 -10.356   3.363   2.402
  426    H    PHE  62           HN       PHE  62  -7.364   0.669   4.420
  427    HA   PHE  62           HA       PHE  62  -5.507   1.378   2.248
  428    HB2  PHE  62           HB2      PHE  62  -4.850  -0.686   4.352
  429    HB3  PHE  62           HB1      PHE  62  -3.750   0.139   3.241
  430    HD1  PHE  62           HD1      PHE  62  -5.241   0.140   6.493
  431    HD2  PHE  62           HD2      PHE  62  -3.326   2.626   3.618
  432    HE1  PHE  62           HE1      PHE  62  -4.776   1.801   8.243
  433    HE2  PHE  62           HE2      PHE  62  -2.861   4.288   5.366
  434    HZ   PHE  62           HZ       PHE  62  -3.583   3.879   7.682
  435    H    CYS  63           HN       CYS  63  -5.873   0.158   0.457
  436    HA   CYS  63           HA       CYS  63  -7.538  -2.151   0.519
  437    HB2  CYS  63           HB2      CYS  63  -7.222  -0.691  -1.517
  438    HB3  CYS  63           HB1      CYS  63  -5.615  -1.391  -1.693
  439    H    GLU  64           HN       GLU  64  -7.024  -4.148   1.066
  440    HA   GLU  64           HA       GLU  64  -4.258  -4.744   1.729
  441    HB2  GLU  64           HB2      GLU  64  -6.791  -6.341   2.124
  442    HB3  GLU  64           HB1      GLU  64  -5.204  -6.837   2.688
  443    HG2  GLU  64           HG2      GLU  64  -5.109  -4.841   4.120
  444    HG3  GLU  64           HG1      GLU  64  -6.721  -4.389   3.569
  445    H    MET  65           HN       MET  65  -5.405  -4.583  -1.093
  446    HA   MET  65           HA       MET  65  -4.182  -7.109  -1.969
  447    HB2  MET  65           HB2      MET  65  -6.548  -5.745  -3.265
  448    HB3  MET  65           HB1      MET  65  -5.715  -7.173  -3.885
  449    HG2  MET  65           HG2      MET  65  -6.382  -8.433  -1.910
  450    HG3  MET  65           HG1      MET  65  -7.199  -7.008  -1.266
  451    HE1  MET  65           HE1      MET  65  -7.091  -9.642  -4.152
  452    HE2  MET  65           HE2      MET  65  -7.110  -8.126  -5.053
  453    HE3  MET  65           HE3      MET  65  -8.505  -9.201  -5.109
  454    H    CYS  66           HN       CYS  66  -3.982  -3.752  -2.044
  455    HA   CYS  66           HA       CYS  66  -1.913  -3.787  -3.992
  456    HB2  CYS  66           HB2      CYS  66  -2.912  -2.592  -5.777
  457    HB3  CYS  66           HB1      CYS  66  -4.079  -3.847  -5.375
  458    HA   PRO  67           HA       PRO  67  -0.901  -0.027  -1.868
  459    HB2  PRO  67           HB2      PRO  67   0.160   1.235  -4.289
  460    HB3  PRO  67           HB1      PRO  67   1.031   0.621  -2.882
  461    HG2  PRO  67           HG2      PRO  67   1.178  -0.586  -5.281
  462    HG3  PRO  67           HG1      PRO  67   1.225  -1.498  -3.759
  463    HD2  PRO  67           HD2      PRO  67  -1.110  -1.049  -5.613
  464    HD3  PRO  67           HD1      PRO  67  -0.560  -2.563  -4.848
  465    H    SER  68           HN       SER  68  -3.566  -0.032  -3.477
  466    HA   SER  68           HA       SER  68  -3.855   2.852  -3.828
  467    HB2  SER  68           HB2      SER  68  -5.875   0.643  -4.302
  468    HB3  SER  68           HB1      SER  68  -6.082   2.346  -4.713
  469    HG   SER  68           HG       SER  68  -4.834   2.106  -6.404
  470    H    SER  69           HN       SER  69  -3.758   3.612  -1.767
  471    HA   SER  69           HA       SER  69  -5.794   2.702   0.126
  472    HB2  SER  69           HB2      SER  69  -4.403   4.374   1.611
  473    HB3  SER  69           HB1      SER  69  -3.758   2.769   1.259
  474    HG   SER  69           HG       SER  69  -3.138   5.183  -0.126
  475    H    PHE  70           HN       PHE  70  -7.040   4.429   1.304
  476    HA   PHE  70           HA       PHE  70  -7.497   6.762  -0.436
  477    HB2  PHE  70           HB2      PHE  70  -9.676   4.972   0.671
  478    HB3  PHE  70           HB1      PHE  70  -9.923   6.441  -0.276
  479    HD1  PHE  70           HD1      PHE  70  -8.937   6.473  -2.648
  480    HD2  PHE  70           HD2      PHE  70  -9.527   2.918  -0.385
  481    HE1  PHE  70           HE1      PHE  70  -8.889   5.151  -4.722
  482    HE2  PHE  70           HE2      PHE  70  -9.481   1.588  -2.455
  483    HZ   PHE  70           HZ       PHE  70  -9.156   2.699  -4.623
  484    H    CYS  71           HN       CYS  71  -8.410   8.574   0.577
  485    HA   CYS  71           HA       CYS  71  -7.829   8.812   3.386
  486    HB2  CYS  71           HB2      CYS  71  -8.399  11.149   3.128
  487    HB3  CYS  71           HB1      CYS  71  -7.415  10.660   1.752
  488    H    LYS  72           HN       LYS  72  -9.600  10.077   4.730
  489    HA   LYS  72           HA       LYS  72 -11.678   8.309   5.245
  490    HB2  LYS  72           HB2      LYS  72 -11.449  11.244   5.888
  491    HB3  LYS  72           HB1      LYS  72 -12.710  10.200   6.531
  492    HG2  LYS  72           HG2      LYS  72 -11.004   8.807   7.600
  493    HG3  LYS  72           HG1      LYS  72  -9.749   9.865   6.957
  494    HD2  LYS  72           HD2      LYS  72 -10.696  11.740   8.217
  495    HD3  LYS  72           HD1      LYS  72 -11.936  10.667   8.870
  496    HE2  LYS  72           HE2      LYS  72  -8.971  10.304   9.238
  497    HE3  LYS  72           HE1      LYS  72 -10.043  11.050  10.421
  498    HZ1  LYS  72           HZ1      LYS  72 -11.255   8.966  10.572
  499    HZ2  LYS  72           HZ2      LYS  72  -9.622   8.729  10.933
  500    HZ3  LYS  72           HZ3      LYS  72 -10.230   8.255   9.433
  501    H    GLN  73           HN       GLN  73 -11.600  11.080   3.097
  502    HA   GLN  73           HA       GLN  73 -14.423  11.119   2.638
  503    HB2  GLN  73           HB2      GLN  73 -12.983  13.121   2.453
  504    HB3  GLN  73           HB1      GLN  73 -12.210  12.404   1.046
  505    HG2  GLN  73           HG2      GLN  73 -14.331  12.420  -0.143
  506    HG3  GLN  73           HG1      GLN  73 -15.127  13.111   1.271
  507   HE21  GLN  73          HE21      GLN  73 -12.943  13.706  -1.369
  508   HE22  GLN  73          HE22      GLN  73 -12.935  15.430  -1.235
  509    H    HIS  74           HN       HIS  74 -11.621   9.903   0.837
  510    HA   HIS  74           HA       HIS  74 -13.399   9.150  -1.356
  511    HB2  HIS  74           HB2      HIS  74 -10.382   9.196  -1.177
  512    HB3  HIS  74           HB1      HIS  74 -11.282   8.645  -2.593
  513    HD2  HIS  74           HD2      HIS  74 -13.489  11.062  -2.633
  514    HE1  HIS  74           HE1      HIS  74 -10.067  13.511  -2.987
  515    HE2  HIS  74           HE2      HIS  74 -12.530  13.298  -3.535
  516    H    ARG  75           HN       ARG  75 -13.018   7.650   1.318
  517    HA   ARG  75           HA       ARG  75 -12.260   5.064   0.197
  518    HB2  ARG  75           HB2      ARG  75 -12.345   4.210   2.475
  519    HB3  ARG  75           HB1      ARG  75 -11.282   5.601   2.345
  520    HG2  ARG  75           HG2      ARG  75 -13.131   7.002   3.255
  521    HG3  ARG  75           HG1      ARG  75 -14.042   5.514   3.530
  522    HD2  ARG  75           HD2      ARG  75 -12.224   4.676   4.945
  523    HD3  ARG  75           HD1      ARG  75 -11.326   6.163   4.682
  524    HE   ARG  75           HE       ARG  75 -13.606   7.102   5.715
  525   HH11  ARG  75          HH11      ARG  75 -11.584   4.418   6.704
  526   HH12  ARG  75          HH12      ARG  75 -11.938   4.604   8.390
  527   HH21  ARG  75          HH21      ARG  75 -14.074   7.352   7.946
  528   HH22  ARG  75          HH22      ARG  75 -13.347   6.276   9.100
  529    H    GLU  76           HN       GLU  76 -15.055   6.873   0.998
  530    HA   GLU  76           HA       GLU  76 -16.829   4.720   1.484
  531    HB2  GLU  76           HB2      GLU  76 -17.313   7.548   0.549
  532    HB3  GLU  76           HB1      GLU  76 -18.609   6.414   0.902
  533    HG2  GLU  76           HG2      GLU  76 -17.796   6.235   3.214
  534    HG3  GLU  76           HG1      GLU  76 -16.539   7.413   2.851
  535    H    GLY  77           HN       GLY  77 -17.600   3.266   0.086
  536    HA2  GLY  77           HA2      GLY  77 -18.443   2.379  -1.866
  537    HA3  GLY  77           HA1      GLY  77 -18.365   3.983  -2.578
  538    H    MET  78           HN       MET  78 -15.350   3.621  -1.517
  539    HA   MET  78           HA       MET  78 -14.464   2.581  -4.115
  540    HB2  MET  78           HB2      MET  78 -12.999   4.260  -2.063
  541    HB3  MET  78           HB1      MET  78 -12.284   3.662  -3.552
  542    HG2  MET  78           HG2      MET  78 -14.641   5.538  -3.377
  543    HG3  MET  78           HG1      MET  78 -12.977   6.004  -3.734
  544    HE1  MET  78           HE1      MET  78 -12.056   3.537  -5.615
  545    HE2  MET  78           HE2      MET  78 -11.665   5.232  -5.906
  546    HE3  MET  78           HE3      MET  78 -12.374   4.256  -7.193
  547    H    LEU  79           HN       LEU  79 -14.280   1.969  -0.693
  548    HA   LEU  79           HA       LEU  79 -12.626  -0.396  -1.263
  549    HB2  LEU  79           HB2      LEU  79 -11.570   1.569   0.063
  550    HB3  LEU  79           HB1      LEU  79 -12.626   1.061   1.370
  551    HG   LEU  79           HG       LEU  79 -11.541  -1.177   1.328
  552   HD11  LEU  79          HD11      LEU  79  -9.698   0.153  -0.653
  553   HD12  LEU  79          HD12      LEU  79 -10.754  -1.226  -0.959
  554   HD13  LEU  79          HD13      LEU  79  -9.391  -1.389   0.144
  555   HD21  LEU  79          HD21      LEU  79  -9.368  -0.378   2.272
  556   HD22  LEU  79          HD22      LEU  79 -10.798   0.403   2.947
  557   HD23  LEU  79          HD23      LEU  79  -9.812   1.248   1.753
  558    H    PHE  80           HN       PHE  80 -13.312  -2.303  -0.335
  559    HA   PHE  80           HA       PHE  80 -15.488  -2.274   1.598
  560    HB2  PHE  80           HB2      PHE  80 -16.829  -3.866   0.202
  561    HB3  PHE  80           HB1      PHE  80 -16.712  -2.257  -0.494
  562    HD1  PHE  80           HD1      PHE  80 -15.643  -1.896  -2.611
  563    HD2  PHE  80           HD2      PHE  80 -15.542  -5.742  -0.774
  564    HE1  PHE  80           HE1      PHE  80 -14.817  -2.880  -4.703
  565    HE2  PHE  80           HE2      PHE  80 -14.714  -6.719  -2.871
  566    HZ   PHE  80           HZ       PHE  80 -14.349  -5.289  -4.837
  567    H    ILE  81           HN       ILE  81 -15.923  -4.511   2.416
  568    HA   ILE  81           HA       ILE  81 -13.415  -5.944   2.698
  569    HB   ILE  81           HB       ILE  81 -16.076  -6.193   4.077
  570   HG12  ILE  81          HG12      ILE  81 -14.488  -4.386   4.755
  571   HG13  ILE  81          HG11      ILE  81 -14.851  -5.529   6.043
  572   HG21  ILE  81          HG21      ILE  81 -13.684  -7.995   4.361
  573   HG22  ILE  81          HG22      ILE  81 -15.295  -8.447   3.800
  574   HG23  ILE  81          HG23      ILE  81 -15.050  -7.955   5.476
  575   HD11  ILE  81          HD11      ILE  81 -12.722  -6.685   5.549
  576   HD12  ILE  81          HD12      ILE  81 -12.520  -5.019   6.082
  577   HD13  ILE  81          HD13      ILE  81 -12.351  -5.421   4.376
  578    H    SER  82           HN       SER  82 -12.881  -7.673   1.592
  579    HA   SER  82           HA       SER  82 -14.588  -8.848  -0.349
  580    HB2  SER  82           HB2      SER  82 -12.208  -8.844  -0.737
  581    HB3  SER  82           HB1      SER  82 -11.911  -9.704   0.773
  582    HG   SER  82           HG       SER  82 -12.684 -10.660  -1.691
  583    H    LYS  83           HN       LYS  83 -15.972 -10.477  -0.154
  584    HA   LYS  83           HA       LYS  83 -16.506 -11.626   2.405
  585    HB2  LYS  83           HB2      LYS  83 -17.592 -12.328  -0.322
  586    HB3  LYS  83           HB1      LYS  83 -18.227 -12.920   1.207
  587    HG2  LYS  83           HG2      LYS  83 -18.789 -10.643   1.867
  588    HG3  LYS  83           HG1      LYS  83 -18.133 -10.036   0.347
  589    HD2  LYS  83           HD2      LYS  83 -19.805 -11.384  -0.871
  590    HD3  LYS  83           HD1      LYS  83 -20.487 -11.892   0.674
  591    HE2  LYS  83           HE2      LYS  83 -20.993  -9.565   1.219
  592    HE3  LYS  83           HE1      LYS  83 -20.300  -9.049  -0.317
  593    HZ1  LYS  83           HZ1      LYS  83 -22.678 -10.794   0.019
  594    HZ2  LYS  83           HZ2      LYS  83 -22.000 -10.339  -1.462
  595    HZ3  LYS  83           HZ3      LYS  83 -22.691  -9.171  -0.455
  596    H    LEU  84           HN       LEU  84 -14.362 -12.365  -0.089
  597    HA   LEU  84           HA       LEU  84 -14.293 -15.211   0.384
  598    HB2  LEU  84           HB2      LEU  84 -12.678 -13.376  -1.362
  599    HB3  LEU  84           HB1      LEU  84 -12.288 -15.072  -1.180
  600    HG   LEU  84           HG       LEU  84 -13.499 -14.781  -3.226
  601   HD11  LEU  84          HD11      LEU  84 -15.320 -15.981  -1.151
  602   HD12  LEU  84          HD12      LEU  84 -13.982 -16.803  -1.953
  603   HD13  LEU  84          HD13      LEU  84 -15.382 -16.275  -2.887
  604   HD21  LEU  84          HD21      LEU  84 -15.761 -13.872  -3.308
  605   HD22  LEU  84          HD22      LEU  84 -14.611 -12.672  -2.722
  606   HD23  LEU  84          HD23      LEU  84 -15.678 -13.499  -1.587
  607    H    ASP  85           HN       ASP  85 -12.011 -12.506   0.756
  608    HA   ASP  85           HA       ASP  85 -10.378 -14.237   2.478
  609    HB2  ASP  85           HB2      ASP  85  -9.666 -11.835   0.813
  610    HB3  ASP  85           HB1      ASP  85  -8.595 -12.447   2.064
  611    H    GLY  86           HN       GLY  86 -12.512 -11.650   2.696
  612    HA2  GLY  86           HA2      GLY  86 -13.110 -10.344   4.500
  613    HA3  GLY  86           HA1      GLY  86 -11.899 -11.186   5.455
  614    H    ARG  87           HN       ARG  87 -10.549 -10.048   2.656
  615    HA   ARG  87           HA       ARG  87  -9.095  -7.995   4.086
  616    HB2  ARG  87           HB2      ARG  87  -8.831  -9.175   1.321
  617    HB3  ARG  87           HB1      ARG  87  -7.801  -7.884   1.917
  618    HG2  ARG  87           HG2      ARG  87  -6.983  -9.335   3.691
  619    HG3  ARG  87           HG1      ARG  87  -8.045 -10.629   3.128
  620    HD2  ARG  87           HD2      ARG  87  -6.886 -10.657   0.988
  621    HD3  ARG  87           HD1      ARG  87  -5.844  -9.340   1.524
  622    HE   ARG  87           HE       ARG  87  -5.342 -11.163   3.393
  623   HH11  ARG  87          HH11      ARG  87  -5.598 -11.526  -0.076
  624   HH12  ARG  87          HH12      ARG  87  -4.409 -12.786  -0.163
  625   HH21  ARG  87          HH21      ARG  87  -3.788 -12.844   3.288
  626   HH22  ARG  87          HH22      ARG  87  -3.389 -13.551   1.752
  627    H    LEU  88           HN       LEU  88  -8.982  -5.832   3.474
  628    HA   LEU  88           HA       LEU  88 -11.304  -4.687   2.281
  629    HB2  LEU  88           HB2      LEU  88  -8.616  -3.557   3.042
  630    HB3  LEU  88           HB1      LEU  88  -9.876  -2.583   2.324
  631    HG   LEU  88           HG       LEU  88 -10.367  -4.119   4.851
  632   HD11  LEU  88          HD11      LEU  88  -8.385  -2.717   5.207
  633   HD12  LEU  88          HD12      LEU  88  -9.778  -2.116   6.106
  634   HD13  LEU  88          HD13      LEU  88  -9.277  -1.316   4.615
  635   HD21  LEU  88          HD21      LEU  88 -12.322  -3.261   3.704
  636   HD22  LEU  88          HD22      LEU  88 -11.594  -1.658   3.613
  637   HD23  LEU  88          HD23      LEU  88 -12.041  -2.336   5.177
  638    H    SER  89           HN       SER  89 -11.731  -4.528   0.190
  639    HA   SER  89           HA       SER  89  -9.480  -4.598  -1.706
  640    HB2  SER  89           HB2      SER  89 -10.845  -6.717  -1.593
  641    HB3  SER  89           HB1      SER  89 -12.225  -5.787  -2.168
  642    HG   SER  89           HG       SER  89  -9.954  -6.648  -3.516
  643    H    CYS  90           HN       CYS  90  -9.482  -3.086  -3.279
  644    HA   CYS  90           HA       CYS  90 -11.445  -0.965  -3.117
  645    HB2  CYS  90           HB2      CYS  90  -9.945   0.299  -4.535
  646    HB3  CYS  90           HB1      CYS  90  -8.981  -0.506  -3.297
  647    H    THR  91           HN       THR  91 -12.267  -0.013  -5.214
  648    HA   THR  91           HA       THR  91 -13.767  -2.009  -6.578
  649    HB   THR  91           HB       THR  91 -14.567  -0.016  -7.942
  650    HG1  THR  91           HG1      THR  91 -13.289   1.662  -7.759
  651   HG21  THR  91          HG21      THR  91 -15.850   0.926  -6.049
  652   HG22  THR  91          HG22      THR  91 -14.803   0.048  -4.934
  653   HG23  THR  91          HG23      THR  91 -15.837  -0.835  -6.057
  654    H    GLU  92           HN       GLU  92 -10.653  -1.319  -7.032
  655    HA   GLU  92           HA       GLU  92 -10.681  -1.246  -9.949
  656    HB2  GLU  92           HB2      GLU  92  -8.405  -1.141  -7.961
  657    HB3  GLU  92           HB1      GLU  92  -8.212  -1.056  -9.705
  658    HG2  GLU  92           HG2      GLU  92  -9.855   0.916  -8.150
  659    HG3  GLU  92           HG1      GLU  92  -8.133   1.129  -8.455
  660    H    HIS  93           HN       HIS  93 -11.346  -3.617  -8.026
  661    HA   HIS  93           HA       HIS  93  -9.456  -5.529  -9.237
  662    HB2  HIS  93           HB2      HIS  93 -10.653  -5.618  -6.462
  663    HB3  HIS  93           HB1      HIS  93  -9.712  -6.915  -7.183
  664    HD1  HIS  93           HD1      HIS  93  -7.782  -4.350  -8.390
  665    HD2  HIS  93           HD2      HIS  93  -8.552  -5.668  -4.525
  666    HE1  HIS  93           HE1      HIS  93  -5.879  -3.500  -6.952
  667    H    ASP  94           HN       ASP  94 -11.678  -5.036 -10.632
  668    HA   ASP  94           HA       ASP  94 -13.628  -7.096  -9.963
  669    HB2  ASP  94           HB2      ASP  94 -13.575  -4.870 -11.969
  670    HB3  ASP  94           HB1      ASP  94 -14.648  -6.242 -12.220
  Start of MODEL   13
    1    H1   GLY   1           HT1      GLY   1   9.359   0.484   7.666
    2    H2   GLY   1           HT2      GLY   1   8.273   0.959   8.875
    3    H3   GLY   1           HT3      GLY   1   8.708  -0.669   8.722
    4    HA2  GLY   1           HA1      GLY   1  10.519   1.550   9.483
    5    HA3  GLY   1           HA2      GLY   1   9.849   0.354  10.583
    6    H    ALA   2           HN       ALA   2  12.090  -0.122  11.100
    7    HA   ALA   2           HA       ALA   2  13.479  -1.657   9.017
    8    HB1  ALA   2           HB1      ALA   2  14.755   0.164  10.074
    9    HB2  ALA   2           HB2      ALA   2  15.486  -1.416  10.347
   10    HB3  ALA   2           HB3      ALA   2  14.570  -0.632  11.634
   11    H    MET   3           HN       MET   3  12.073  -1.861  12.212
   12    HA   MET   3           HA       MET   3  13.143  -4.386  12.910
   13    HB2  MET   3           HB2      MET   3  12.192  -2.854  14.577
   14    HB3  MET   3           HB1      MET   3  10.598  -3.061  13.863
   15    HG2  MET   3           HG2      MET   3  10.840  -4.404  15.866
   16    HG3  MET   3           HG1      MET   3  10.632  -5.424  14.442
   17    HE1  MET   3           HE1      MET   3  11.613  -6.725  17.077
   18    HE2  MET   3           HE2      MET   3  12.971  -7.694  16.505
   19    HE3  MET   3           HE3      MET   3  11.498  -7.585  15.542
   20    H    GLU   4           HN       GLU   4   9.791  -3.596  11.996
   21    HA   GLU   4           HA       GLU   4   9.424  -6.361  11.144
   22    HB2  GLU   4           HB2      GLU   4   7.469  -4.097  11.516
   23    HB3  GLU   4           HB1      GLU   4   7.022  -5.696  10.942
   24    HG2  GLU   4           HG2      GLU   4   8.330  -5.150  13.589
   25    HG3  GLU   4           HG1      GLU   4   6.592  -5.323  13.347
   26    H    ARG   5           HN       ARG   5   9.911  -6.821   9.118
   27    HA   ARG   5           HA       ARG   5   9.074  -4.973   6.995
   28    HB2  ARG   5           HB2      ARG   5  11.757  -6.362   7.153
   29    HB3  ARG   5           HB1      ARG   5  11.173  -5.443   5.774
   30    HG2  ARG   5           HG2      ARG   5  11.161  -3.411   7.125
   31    HG3  ARG   5           HG1      ARG   5  11.731  -4.336   8.519
   32    HD2  ARG   5           HD2      ARG   5  13.183  -3.931   5.907
   33    HD3  ARG   5           HD1      ARG   5  13.596  -3.207   7.462
   34    HE   ARG   5           HE       ARG   5  13.728  -5.795   8.064
   35   HH11  ARG   5          HH11      ARG   5  15.036  -4.024   5.345
   36   HH12  ARG   5          HH12      ARG   5  16.344  -5.132   5.086
   37   HH21  ARG   5          HH21      ARG   5  15.452  -7.255   7.737
   38   HH22  ARG   5          HH22      ARG   5  16.578  -6.977   6.447
   39    H    GLU   6           HN       GLU   6   8.165  -5.973   5.275
   40    HA   GLU   6           HA       GLU   6   7.905  -8.840   5.232
   41    HB2  GLU   6           HB2      GLU   6   7.072  -6.681   3.288
   42    HB3  GLU   6           HB1      GLU   6   6.745  -8.390   3.037
   43    HG2  GLU   6           HG2      GLU   6   5.787  -6.797   5.402
   44    HG3  GLU   6           HG1      GLU   6   4.834  -7.122   3.955
   45    H    ASP   7           HN       ASP   7   8.656 -10.177   3.457
   46    HA   ASP   7           HA       ASP   7  11.168  -9.152   2.319
   47    HB2  ASP   7           HB2      ASP   7  11.959 -11.454   2.263
   48    HB3  ASP   7           HB1      ASP   7  11.433 -11.041   3.891
   49    H    GLU   8           HN       GLU   8   8.340  -9.043   1.304
   50    HA   GLU   8           HA       GLU   8   8.953  -9.892  -1.409
   51    HB2  GLU   8           HB2      GLU   8   7.705 -11.767  -0.385
   52    HB3  GLU   8           HB1      GLU   8   6.404 -10.664   0.025
   53    HG2  GLU   8           HG2      GLU   8   5.978 -10.258  -2.327
   54    HG3  GLU   8           HG1      GLU   8   7.314 -11.323  -2.764
   55    H    CYS   9           HN       CYS   9   7.750  -8.716  -2.993
   56    HA   CYS   9           HA       CYS   9   7.011  -6.082  -2.055
   57    HB2  CYS   9           HB2      CYS   9   8.361  -6.289  -4.083
   58    HB3  CYS   9           HB1      CYS   9   7.106  -7.274  -4.831
   59    H    PHE  10           HN       PHE  10   5.007  -5.620  -1.470
   60    HA   PHE  10           HA       PHE  10   2.836  -7.392  -1.844
   61    HB2  PHE  10           HB2      PHE  10   2.961  -5.856   0.063
   62    HB3  PHE  10           HB1      PHE  10   2.848  -4.474  -1.020
   63    HD1  PHE  10           HD1      PHE  10   0.785  -3.543  -1.482
   64    HD2  PHE  10           HD2      PHE  10   0.989  -7.522   0.023
   65    HE1  PHE  10           HE1      PHE  10  -1.664  -3.589  -1.276
   66    HE2  PHE  10           HE2      PHE  10  -1.461  -7.571   0.228
   67    HZ   PHE  10           HZ       PHE  10  -2.787  -5.601  -0.418
   68    H    SER  11           HN       SER  11   4.108  -4.812  -3.745
   69    HA   SER  11           HA       SER  11   1.721  -4.286  -5.234
   70    HB2  SER  11           HB2      SER  11   4.586  -3.572  -5.879
   71    HB3  SER  11           HB1      SER  11   3.149  -2.872  -6.619
   72    HG   SER  11           HG       SER  11   2.847  -1.667  -4.912
   73    H    CYS  12           HN       CYS  12   4.363  -6.546  -5.541
   74    HA   CYS  12           HA       CYS  12   3.428  -7.180  -8.267
   75    HB2  CYS  12           HB2      CYS  12   6.226  -7.508  -7.176
   76    HB3  CYS  12           HB1      CYS  12   5.700  -7.877  -8.819
   77    H    GLY  13           HN       GLY  13   4.254  -8.461  -5.133
   78    HA2  GLY  13           HA2      GLY  13   3.661 -10.550  -4.280
   79    HA3  GLY  13           HA1      GLY  13   3.187 -11.051  -5.899
   80    H    ASP  14           HN       ASP  14   6.198  -9.599  -5.912
   81    HA   ASP  14           HA       ASP  14   7.588 -12.178  -5.700
   82    HB2  ASP  14           HB2      ASP  14   7.868 -10.072  -7.848
   83    HB3  ASP  14           HB1      ASP  14   9.076 -11.325  -7.582
   84    H    ALA  15           HN       ALA  15   9.837 -12.016  -5.172
   85    HA   ALA  15           HA       ALA  15  10.418  -9.631  -3.571
   86    HB1  ALA  15           HB1      ALA  15  11.962 -10.995  -2.324
   87    HB2  ALA  15           HB2      ALA  15  11.703 -12.351  -3.423
   88    HB3  ALA  15           HB3      ALA  15  10.389 -11.789  -2.389
   89    H    GLY  16           HN       GLY  16  12.653  -8.885  -3.521
   90    HA2  GLY  16           HA2      GLY  16  14.648  -9.436  -5.319
   91    HA3  GLY  16           HA1      GLY  16  13.534  -8.380  -6.183
   92    H    GLN  17           HN       GLN  17  14.722  -6.518  -6.279
   93    HA   GLN  17           HA       GLN  17  16.101  -5.417  -4.041
   94    HB2  GLN  17           HB2      GLN  17  16.712  -4.834  -6.344
   95    HB3  GLN  17           HB1      GLN  17  15.139  -4.085  -6.579
   96    HG2  GLN  17           HG2      GLN  17  15.685  -2.462  -4.806
   97    HG3  GLN  17           HG1      GLN  17  17.289  -3.181  -4.680
   98   HE21  GLN  17          HE21      GLN  17  15.585  -2.795  -7.700
   99   HE22  GLN  17          HE22      GLN  17  16.632  -1.588  -8.359
  100    H    LEU  18           HN       LEU  18  14.679  -5.336  -2.318
  101    HA   LEU  18           HA       LEU  18  12.217  -3.811  -2.684
  102    HB2  LEU  18           HB2      LEU  18  13.082  -5.585  -0.403
  103    HB3  LEU  18           HB1      LEU  18  11.535  -4.767  -0.525
  104    HG   LEU  18           HG       LEU  18  12.475  -6.812  -2.523
  105   HD11  LEU  18          HD11      LEU  18  10.955  -8.367  -1.400
  106   HD12  LEU  18          HD12      LEU  18  10.691  -7.174  -0.131
  107   HD13  LEU  18          HD13      LEU  18  12.290  -7.877  -0.360
  108   HD21  LEU  18          HD21      LEU  18   9.777  -5.615  -1.954
  109   HD22  LEU  18          HD22      LEU  18  10.114  -6.883  -3.129
  110   HD23  LEU  18          HD23      LEU  18  10.796  -5.273  -3.351
  111    H    VAL  19           HN       VAL  19  11.827  -1.958  -1.694
  112    HA   VAL  19           HA       VAL  19  13.800  -0.942   0.238
  113    HB   VAL  19           HB       VAL  19  13.832   0.474  -1.703
  114   HG11  VAL  19          HG11      VAL  19  10.831   0.634  -1.456
  115   HG12  VAL  19          HG12      VAL  19  11.752  -0.124  -2.756
  116   HG13  VAL  19          HG13      VAL  19  11.810   1.625  -2.541
  117   HG21  VAL  19          HG21      VAL  19  12.219   1.763   0.492
  118   HG22  VAL  19          HG22      VAL  19  13.092   2.630  -0.770
  119   HG23  VAL  19          HG23      VAL  19  13.976   1.651   0.399
  120    H    SER  20           HN       SER  20  13.074  -0.513   2.239
  121    HA   SER  20           HA       SER  20  10.279  -1.174   2.749
  122    HB2  SER  20           HB2      SER  20  11.966  -2.434   3.990
  123    HB3  SER  20           HB1      SER  20  12.618  -0.939   4.655
  124    HG   SER  20           HG       SER  20  11.225  -1.240   6.196
  125    H    CYS  21           HN       CYS  21   8.924   0.057   3.951
  126    HA   CYS  21           HA       CYS  21   9.028   2.849   3.605
  127    HB2  CYS  21           HB2      CYS  21   6.993   1.308   3.951
  128    HB3  CYS  21           HB1      CYS  21   7.363   1.405   5.672
  129    H    LYS  22           HN       LYS  22   9.876   4.450   4.883
  130    HA   LYS  22           HA       LYS  22  11.569   3.569   7.072
  131    HB2  LYS  22           HB2      LYS  22  12.272   5.196   5.238
  132    HB3  LYS  22           HB1      LYS  22  11.243   6.381   6.024
  133    HG2  LYS  22           HG2      LYS  22  13.504   6.745   6.711
  134    HG3  LYS  22           HG1      LYS  22  12.589   6.127   8.087
  135    HD2  LYS  22           HD2      LYS  22  14.723   5.028   8.029
  136    HD3  LYS  22           HD1      LYS  22  13.480   3.860   7.584
  137    HE2  LYS  22           HE2      LYS  22  14.025   4.174   5.222
  138    HE3  LYS  22           HE1      LYS  22  15.256   5.358   5.659
  139    HZ1  LYS  22           HZ1      LYS  22  16.263   3.227   5.244
  140    HZ2  LYS  22           HZ2      LYS  22  15.256   2.476   6.375
  141    HZ3  LYS  22           HZ3      LYS  22  16.412   3.597   6.889
  142    H    LYS  23           HN       LYS  23   8.600   3.672   7.270
  143    HA   LYS  23           HA       LYS  23   8.391   5.472   9.584
  144    HB2  LYS  23           HB2      LYS  23   6.912   5.921   7.538
  145    HB3  LYS  23           HB1      LYS  23   6.067   4.438   7.962
  146    HG2  LYS  23           HG2      LYS  23   5.321   5.338  10.020
  147    HG3  LYS  23           HG1      LYS  23   6.397   6.730   9.876
  148    HD2  LYS  23           HD2      LYS  23   5.121   7.390   7.823
  149    HD3  LYS  23           HD1      LYS  23   3.970   6.102   8.198
  150    HE2  LYS  23           HE2      LYS  23   3.411   7.151  10.291
  151    HE3  LYS  23           HE1      LYS  23   4.670   8.364  10.066
  152    HZ1  LYS  23           HZ1      LYS  23   3.453   9.053   8.014
  153    HZ2  LYS  23           HZ2      LYS  23   2.628   9.353   9.465
  154    HZ3  LYS  23           HZ3      LYS  23   2.183   8.042   8.498
  155    HA   PRO  24           HA       PRO  24   8.091   1.729  11.940
  156    HB2  PRO  24           HB2      PRO  24   7.050   2.779  14.229
  157    HB3  PRO  24           HB1      PRO  24   8.748   2.957  13.770
  158    HG2  PRO  24           HG2      PRO  24   6.480   4.884  13.444
  159    HG3  PRO  24           HG1      PRO  24   8.140   5.191  13.995
  160    HD2  PRO  24           HD2      PRO  24   7.351   5.734  11.469
  161    HD3  PRO  24           HD1      PRO  24   8.994   5.170  11.838
  162    H    GLY  25           HN       GLY  25   6.539   0.224  12.605
  163    HA2  GLY  25           HA2      GLY  25   4.380  -0.589  13.020
  164    HA3  GLY  25           HA1      GLY  25   3.726   0.986  12.576
  165    H    CYS  26           HN       CYS  26   5.405   0.929  10.096
  166    HA   CYS  26           HA       CYS  26   3.511  -0.580   8.456
  167    HB2  CYS  26           HB2      CYS  26   4.039   1.872   8.065
  168    HB3  CYS  26           HB1      CYS  26   5.654   1.364   7.578
  169    HA   PRO  27           HA       PRO  27   7.012  -3.409   8.080
  170    HB2  PRO  27           HB2      PRO  27   5.620  -5.673   7.921
  171    HB3  PRO  27           HB1      PRO  27   5.682  -4.767   9.439
  172    HG2  PRO  27           HG2      PRO  27   3.497  -4.930   7.408
  173    HG3  PRO  27           HG1      PRO  27   3.382  -4.850   9.181
  174    HD2  PRO  27           HD2      PRO  27   3.099  -2.685   7.401
  175    HD3  PRO  27           HD1      PRO  27   3.343  -2.579   9.159
  176    H    LYS  28           HN       LYS  28   4.959  -2.280   5.753
  177    HA   LYS  28           HA       LYS  28   5.223  -4.456   3.876
  178    HB2  LYS  28           HB2      LYS  28   3.499  -2.184   4.158
  179    HB3  LYS  28           HB1      LYS  28   4.224  -2.158   2.545
  180    HG2  LYS  28           HG2      LYS  28   2.047  -3.368   2.664
  181    HG3  LYS  28           HG1      LYS  28   3.384  -4.347   2.055
  182    HD2  LYS  28           HD2      LYS  28   3.639  -5.375   4.268
  183    HD3  LYS  28           HD1      LYS  28   2.318  -4.383   4.881
  184    HE2  LYS  28           HE2      LYS  28   0.752  -5.469   3.433
  185    HE3  LYS  28           HE1      LYS  28   2.045  -6.336   2.605
  186    HZ1  LYS  28           HZ1      LYS  28   1.317  -6.674   5.465
  187    HZ2  LYS  28           HZ2      LYS  28   2.516  -7.535   4.638
  188    HZ3  LYS  28           HZ3      LYS  28   0.892  -7.733   4.218
  189    H    VAL  29           HN       VAL  29   6.260  -4.431   1.906
  190    HA   VAL  29           HA       VAL  29   8.368  -2.415   1.576
  191    HB   VAL  29           HB       VAL  29   9.106  -4.547   2.836
  192   HG11  VAL  29          HG11      VAL  29   9.043  -5.655   0.047
  193   HG12  VAL  29          HG12      VAL  29   8.017  -6.165   1.383
  194   HG13  VAL  29          HG13      VAL  29   9.759  -6.429   1.459
  195   HG21  VAL  29          HG21      VAL  29  10.749  -3.038   2.154
  196   HG22  VAL  29          HG22      VAL  29  10.523  -3.432   0.452
  197   HG23  VAL  29          HG23      VAL  29  11.269  -4.606   1.539
  198    H    TYR  30           HN       TYR  30   9.208  -2.322  -0.610
  199    HA   TYR  30           HA       TYR  30   7.630  -3.683  -2.674
  200    HB2  TYR  30           HB2      TYR  30   7.884  -0.671  -2.677
  201    HB3  TYR  30           HB1      TYR  30   6.889  -1.668  -3.731
  202    HD1  TYR  30           HD1      TYR  30   4.786  -2.638  -2.892
  203    HD2  TYR  30           HD2      TYR  30   7.108   0.009  -0.503
  204    HE1  TYR  30           HE1      TYR  30   2.867  -2.315  -1.397
  205    HE2  TYR  30           HE2      TYR  30   5.191   0.337   1.001
  206    HH   TYR  30           HH       TYR  30   2.789   0.130   0.997
  207    H    HIS  31           HN       HIS  31   8.529  -3.152  -4.877
  208    HA   HIS  31           HA       HIS  31  11.413  -2.841  -4.821
  209    HB2  HIS  31           HB2      HIS  31   9.600  -2.993  -7.249
  210    HB3  HIS  31           HB1      HIS  31  11.352  -3.178  -7.233
  211    HD2  HIS  31           HD2      HIS  31  12.038  -5.530  -5.470
  212    HE1  HIS  31           HE1      HIS  31   8.637  -7.535  -7.008
  213    HE2  HIS  31           HE2      HIS  31  10.959  -7.833  -6.013
  214    H    ALA  32           HN       ALA  32  12.515  -1.079  -5.666
  215    HA   ALA  32           HA       ALA  32  11.250   1.428  -5.507
  216    HB1  ALA  32           HB1      ALA  32  13.357   2.342  -6.324
  217    HB2  ALA  32           HB2      ALA  32  13.892   0.721  -6.772
  218    HB3  ALA  32           HB3      ALA  32  13.628   1.127  -5.075
  219    H    ASP  33           HN       ASP  33  11.841  -0.773  -8.154
  220    HA   ASP  33           HA       ASP  33  11.459   1.084 -10.254
  221    HB2  ASP  33           HB2      ASP  33  12.590  -1.062 -10.620
  222    HB3  ASP  33           HB1      ASP  33  11.075  -1.912 -10.328
  223    H    CYS  34           HN       CYS  34   9.189  -1.202  -8.711
  224    HA   CYS  34           HA       CYS  34   7.076  -0.591 -10.518
  225    HB2  CYS  34           HB2      CYS  34   5.677  -1.728  -8.628
  226    HB3  CYS  34           HB1      CYS  34   6.847  -2.699  -9.516
  227    H    LEU  35           HN       LEU  35   8.300   0.938  -7.719
  228    HA   LEU  35           HA       LEU  35   5.912   2.529  -7.270
  229    HB2  LEU  35           HB2      LEU  35   8.666   2.656  -6.056
  230    HB3  LEU  35           HB1      LEU  35   7.314   3.650  -5.558
  231    HG   LEU  35           HG       LEU  35   7.322   0.642  -5.382
  232   HD11  LEU  35          HD11      LEU  35   9.025   1.331  -3.926
  233   HD12  LEU  35          HD12      LEU  35   7.591   1.172  -2.907
  234   HD13  LEU  35          HD13      LEU  35   8.130   2.765  -3.430
  235   HD21  LEU  35          HD21      LEU  35   5.446   1.014  -3.849
  236   HD22  LEU  35          HD22      LEU  35   5.099   1.638  -5.462
  237   HD23  LEU  35          HD23      LEU  35   5.540   2.747  -4.163
  238    H    ASN  36           HN       ASN  36   8.194   2.544  -9.563
  239    HA   ASN  36           HA       ASN  36   8.997   4.028 -11.071
  240    HB2  ASN  36           HB2      ASN  36   6.596   4.742 -11.137
  241    HB3  ASN  36           HB1      ASN  36   6.972   5.961  -9.928
  242   HD21  ASN  36          HD21      ASN  36   6.343   7.611 -11.324
  243   HD22  ASN  36          HD22      ASN  36   7.324   8.105 -12.660
  244    H    LEU  37           HN       LEU  37  10.164   3.818  -8.433
  245    HA   LEU  37           HA       LEU  37  11.104   6.486  -7.813
  246    HB2  LEU  37           HB2      LEU  37  11.747   3.791  -6.636
  247    HB3  LEU  37           HB1      LEU  37  12.512   5.277  -6.110
  248    HG   LEU  37           HG       LEU  37   9.579   4.591  -5.876
  249   HD11  LEU  37          HD11      LEU  37  11.706   4.976  -3.774
  250   HD12  LEU  37          HD12      LEU  37  11.039   3.426  -4.284
  251   HD13  LEU  37          HD13      LEU  37  10.006   4.611  -3.484
  252   HD21  LEU  37          HD21      LEU  37  11.066   7.084  -5.056
  253   HD22  LEU  37          HD22      LEU  37   9.399   6.700  -4.627
  254   HD23  LEU  37          HD23      LEU  37   9.836   6.962  -6.315
  255    H    THR  38           HN       THR  38  11.912   6.535 -10.145
  256    HA   THR  38           HA       THR  38  14.394   5.300 -10.741
  257    HB   THR  38           HB       THR  38  13.578   8.010 -11.773
  258    HG1  THR  38           HG1      THR  38  12.085   7.069 -13.086
  259   HG21  THR  38          HG21      THR  38  14.601   7.184 -13.841
  260   HG22  THR  38          HG22      THR  38  14.938   5.638 -13.060
  261   HG23  THR  38          HG23      THR  38  15.736   7.106 -12.495
  262    H    LYS  39           HN       LYS  39  13.389   8.008  -8.863
  263    HA   LYS  39           HA       LYS  39  16.132   8.891  -8.378
  264    HB2  LYS  39           HB2      LYS  39  13.509  10.004  -7.347
  265    HB3  LYS  39           HB1      LYS  39  15.092  10.722  -7.103
  266    HG2  LYS  39           HG2      LYS  39  13.792  10.333  -9.792
  267    HG3  LYS  39           HG1      LYS  39  13.769  11.834  -8.870
  268    HD2  LYS  39           HD2      LYS  39  16.265  10.428  -9.813
  269    HD3  LYS  39           HD1      LYS  39  15.504  11.790 -10.637
  270    HE2  LYS  39           HE2      LYS  39  16.624  11.808  -7.835
  271    HE3  LYS  39           HE1      LYS  39  17.374  12.526  -9.255
  272    HZ1  LYS  39           HZ1      LYS  39  16.267  14.219  -8.014
  273    HZ2  LYS  39           HZ2      LYS  39  14.822  13.349  -7.991
  274    HZ3  LYS  39           HZ3      LYS  39  15.405  13.978  -9.448
  275    H    ARG  40           HN       ARG  40  16.966   8.937  -6.207
  276    HA   ARG  40           HA       ARG  40  15.861   6.756  -4.604
  277    HB2  ARG  40           HB2      ARG  40  18.177   6.461  -5.169
  278    HB3  ARG  40           HB1      ARG  40  18.575   8.078  -4.603
  279    HG2  ARG  40           HG2      ARG  40  18.238   7.467  -2.340
  280    HG3  ARG  40           HG1      ARG  40  17.503   5.930  -2.799
  281    HD2  ARG  40           HD2      ARG  40  20.348   6.670  -3.444
  282    HD3  ARG  40           HD1      ARG  40  19.880   5.785  -1.992
  283    HE   ARG  40           HE       ARG  40  18.779   4.401  -4.107
  284   HH11  ARG  40          HH11      ARG  40  22.000   5.352  -3.123
  285   HH12  ARG  40          HH12      ARG  40  22.756   3.936  -3.780
  286   HH21  ARG  40          HH21      ARG  40  19.778   2.542  -4.991
  287   HH22  ARG  40          HH22      ARG  40  21.496   2.345  -4.851
  288    HA   PRO  41           HA       PRO  41  14.369   9.991  -1.841
  289    HB2  PRO  41           HB2      PRO  41  13.016   8.329  -0.182
  290    HB3  PRO  41           HB1      PRO  41  12.370   8.850  -1.741
  291    HG2  PRO  41           HG2      PRO  41  13.720   6.284  -1.005
  292    HG3  PRO  41           HG1      PRO  41  12.283   6.544  -2.016
  293    HD2  PRO  41           HD2      PRO  41  14.752   6.097  -3.062
  294    HD3  PRO  41           HD1      PRO  41  13.542   7.110  -3.877
  295    H    ALA  42           HN       ALA  42  15.306  10.783  -0.025
  296    HA   ALA  42           HA       ALA  42  17.138   8.985   1.411
  297    HB1  ALA  42           HB1      ALA  42  17.410  11.953   0.974
  298    HB2  ALA  42           HB2      ALA  42  18.296  10.699   0.109
  299    HB3  ALA  42           HB3      ALA  42  18.548  10.923   1.839
  300    H    GLY  43           HN       GLY  43  17.081   8.952   3.630
  301    HA2  GLY  43           HA2      GLY  43  16.564   9.695   5.781
  302    HA3  GLY  43           HA1      GLY  43  15.673  11.035   5.076
  303    H    LYS  44           HN       LYS  44  13.635  10.964   5.690
  304    HA   LYS  44           HA       LYS  44  12.410   8.398   6.299
  305    HB2  LYS  44           HB2      LYS  44  11.345  11.206   6.642
  306    HB3  LYS  44           HB1      LYS  44  10.560   9.740   7.209
  307    HG2  LYS  44           HG2      LYS  44  12.373   9.304   8.735
  308    HG3  LYS  44           HG1      LYS  44  13.269  10.690   8.114
  309    HD2  LYS  44           HD2      LYS  44  10.582  10.835   9.480
  310    HD3  LYS  44           HD1      LYS  44  12.131  11.156  10.260
  311    HE2  LYS  44           HE2      LYS  44  10.946  12.682   7.943
  312    HE3  LYS  44           HE1      LYS  44  11.038  13.233   9.613
  313    HZ1  LYS  44           HZ1      LYS  44  13.466  13.138   9.444
  314    HZ2  LYS  44           HZ2      LYS  44  12.799  14.204   8.313
  315    HZ3  LYS  44           HZ3      LYS  44  13.342  12.683   7.819
  316    H    TRP  45           HN       TRP  45  11.657   7.351   4.605
  317    HA   TRP  45           HA       TRP  45  10.072   8.826   2.637
  318    HB2  TRP  45           HB2      TRP  45  11.906   7.670   1.575
  319    HB3  TRP  45           HB1      TRP  45  11.505   6.176   2.415
  320    HD1  TRP  45           HD1      TRP  45  10.002   8.511  -0.280
  321    HE1  TRP  45           HE1      TRP  45   8.524   7.095  -1.835
  322    HE3  TRP  45           HE3      TRP  45  10.362   4.023   2.136
  323    HZ2  TRP  45           HZ2      TRP  45   7.629   4.426  -2.015
  324    HZ3  TRP  45           HZ3      TRP  45   9.164   2.082   1.203
  325    HH2  TRP  45           HH2      TRP  45   7.827   2.283  -0.826
  326    H    GLU  46           HN       GLU  46   7.958   8.572   2.692
  327    HA   GLU  46           HA       GLU  46   6.851   6.301   4.182
  328    HB2  GLU  46           HB2      GLU  46   5.642   8.957   3.391
  329    HB3  GLU  46           HB1      GLU  46   4.738   7.663   4.165
  330    HG2  GLU  46           HG2      GLU  46   6.196   7.780   6.105
  331    HG3  GLU  46           HG1      GLU  46   7.143   9.048   5.330
  332    H    CYS  47           HN       CYS  47   5.731   4.757   3.164
  333    HA   CYS  47           HA       CYS  47   5.790   4.555   0.353
  334    HB2  CYS  47           HB2      CYS  47   4.646   2.465   0.623
  335    HB3  CYS  47           HB1      CYS  47   5.769   2.617   1.966
  336    HA   PRO  48           HA       PRO  48   2.127   6.679  -0.924
  337    HB2  PRO  48           HB2      PRO  48   1.411   5.168  -3.087
  338    HB3  PRO  48           HB1      PRO  48   2.755   6.321  -3.104
  339    HG2  PRO  48           HG2      PRO  48   2.807   3.349  -2.726
  340    HG3  PRO  48           HG1      PRO  48   3.867   4.368  -3.718
  341    HD2  PRO  48           HD2      PRO  48   4.634   3.459  -1.306
  342    HD3  PRO  48           HD1      PRO  48   5.116   5.068  -1.885
  343    H    TRP  49           HN       TRP  49   2.098   3.562   0.299
  344    HA   TRP  49           HA       TRP  49  -0.676   2.928  -0.018
  345    HB2  TRP  49           HB2      TRP  49   1.367   1.370   0.506
  346    HB3  TRP  49           HB1      TRP  49   1.078   1.849   2.179
  347    HD1  TRP  49           HD1      TRP  49  -1.647   0.939  -0.432
  348    HE1  TRP  49           HE1      TRP  49  -2.946  -1.106   0.456
  349    HE3  TRP  49           HE3      TRP  49   1.079   0.015   3.803
  350    HZ2  TRP  49           HZ2      TRP  49  -2.837  -2.857   2.660
  351    HZ3  TRP  49           HZ3      TRP  49   0.411  -1.856   5.249
  352    HH2  TRP  49           HH2      TRP  49  -1.509  -3.268   4.686
  353    H    HIS  50           HN       HIS  50   1.007   5.168   1.852
  354    HA   HIS  50           HA       HIS  50  -1.091   5.304   3.890
  355    HB2  HIS  50           HB2      HIS  50   1.384   7.023   3.576
  356    HB3  HIS  50           HB1      HIS  50   0.270   7.036   4.944
  357    HD1  HIS  50           HD1      HIS  50   0.156   3.843   5.243
  358    HD2  HIS  50           HD2      HIS  50   3.549   6.216   4.949
  359    HE1  HIS  50           HE1      HIS  50   2.038   2.533   6.322
  360    H    GLN  51           HN       GLN  51  -0.791   6.288   0.810
  361    HA   GLN  51           HA       GLN  51  -2.018   8.910   1.332
  362    HB2  GLN  51           HB2      GLN  51  -0.247   8.138  -0.991
  363    HB3  GLN  51           HB1      GLN  51  -1.063   9.686  -0.809
  364    HG2  GLN  51           HG2      GLN  51   0.932   8.594   1.152
  365    HG3  GLN  51           HG1      GLN  51   1.334   9.702  -0.156
  366   HE21  GLN  51          HE21      GLN  51  -0.383   9.353   2.888
  367   HE22  GLN  51          HE22      GLN  51  -0.525  11.044   3.208
  368    H    CYS  52           HN       CYS  52  -3.840   9.416   0.371
  369    HA   CYS  52           HA       CYS  52  -5.483   7.383  -0.710
  370    HB2  CYS  52           HB2      CYS  52  -6.361   9.293   0.548
  371    HB3  CYS  52           HB1      CYS  52  -5.798  10.390  -0.700
  372    H    ASP  53           HN       ASP  53  -5.442   6.603  -2.701
  373    HA   ASP  53           HA       ASP  53  -3.775   7.588  -4.728
  374    HB2  ASP  53           HB2      ASP  53  -4.480   5.245  -4.642
  375    HB3  ASP  53           HB1      ASP  53  -6.147   5.716  -4.965
  376    H    VAL  54           HN       VAL  54  -6.923   8.553  -3.809
  377    HA   VAL  54           HA       VAL  54  -7.629   9.603  -6.404
  378    HB   VAL  54           HB       VAL  54  -9.011   9.956  -3.743
  379   HG11  VAL  54          HG11      VAL  54  -9.543  11.765  -5.276
  380   HG12  VAL  54          HG12      VAL  54 -10.929  10.692  -5.077
  381   HG13  VAL  54          HG13      VAL  54  -9.943  10.596  -6.537
  382   HG21  VAL  54          HG21      VAL  54  -9.582   8.101  -6.049
  383   HG22  VAL  54          HG22      VAL  54 -10.620   8.325  -4.641
  384   HG23  VAL  54          HG23      VAL  54  -9.007   7.637  -4.448
  385    H    CYS  55           HN       CYS  55  -6.959  11.064  -3.185
  386    HA   CYS  55           HA       CYS  55  -6.701  13.623  -4.607
  387    HB2  CYS  55           HB2      CYS  55  -7.277  14.736  -2.512
  388    HB3  CYS  55           HB1      CYS  55  -8.519  13.598  -3.009
  389    H    GLY  56           HN       GLY  56  -4.811  11.324  -3.024
  390    HA2  GLY  56           HA2      GLY  56  -2.520  11.361  -2.712
  391    HA3  GLY  56           HA1      GLY  56  -2.520  13.055  -3.185
  392    H    LYS  57           HN       LYS  57  -4.788  12.595  -0.781
  393    HA   LYS  57           HA       LYS  57  -2.995  13.756   1.185
  394    HB2  LYS  57           HB2      LYS  57  -5.987  13.364   1.210
  395    HB3  LYS  57           HB1      LYS  57  -5.075  14.122   2.507
  396    HG2  LYS  57           HG2      LYS  57  -4.337  15.873   0.979
  397    HG3  LYS  57           HG1      LYS  57  -5.239  15.111  -0.333
  398    HD2  LYS  57           HD2      LYS  57  -7.322  15.501   0.812
  399    HD3  LYS  57           HD1      LYS  57  -6.470  16.116   2.229
  400    HE2  LYS  57           HE2      LYS  57  -6.488  17.359  -0.521
  401    HE3  LYS  57           HE1      LYS  57  -7.364  17.947   0.892
  402    HZ1  LYS  57           HZ1      LYS  57  -5.192  18.243   1.998
  403    HZ2  LYS  57           HZ2      LYS  57  -5.377  19.215   0.632
  404    HZ3  LYS  57           HZ3      LYS  57  -4.417  17.826   0.553
  405    H    GLU  58           HN       GLU  58  -3.901  13.018   3.556
  406    HA   GLU  58           HA       GLU  58  -2.624  10.576   4.017
  407    HB2  GLU  58           HB2      GLU  58  -2.968  12.451   5.658
  408    HB3  GLU  58           HB1      GLU  58  -4.634  11.920   5.825
  409    HG2  GLU  58           HG2      GLU  58  -3.363  11.051   7.648
  410    HG3  GLU  58           HG1      GLU  58  -3.809   9.718   6.585
  411    H    ALA  59           HN       ALA  59  -3.290   8.541   3.844
  412    HA   ALA  59           HA       ALA  59  -6.046   7.983   3.161
  413    HB1  ALA  59           HB1      ALA  59  -4.365   6.858   1.887
  414    HB2  ALA  59           HB2      ALA  59  -5.228   5.665   2.857
  415    HB3  ALA  59           HB3      ALA  59  -3.623   6.211   3.350
  416    H    ALA  60           HN       ALA  60  -7.451   6.702   4.326
  417    HA   ALA  60           HA       ALA  60  -6.758   6.386   7.166
  418    HB1  ALA  60           HB1      ALA  60  -8.601   7.916   6.754
  419    HB2  ALA  60           HB2      ALA  60  -9.163   6.474   7.599
  420    HB3  ALA  60           HB3      ALA  60  -9.463   6.657   5.871
  421    H    SER  61           HN       SER  61  -8.116   4.797   4.354
  422    HA   SER  61           HA       SER  61  -7.874   2.243   5.778
  423    HB2  SER  61           HB2      SER  61  -9.813   1.448   4.408
  424    HB3  SER  61           HB1      SER  61 -10.233   2.734   5.536
  425    HG   SER  61           HG       SER  61  -9.553   3.224   2.832
  426    H    PHE  62           HN       PHE  62  -6.974   0.559   4.609
  427    HA   PHE  62           HA       PHE  62  -5.606   1.437   2.145
  428    HB2  PHE  62           HB2      PHE  62  -4.543  -0.647   4.049
  429    HB3  PHE  62           HB1      PHE  62  -3.649   0.340   2.887
  430    HD1  PHE  62           HD1      PHE  62  -4.498  -0.059   6.279
  431    HD2  PHE  62           HD2      PHE  62  -3.712   2.923   3.352
  432    HE1  PHE  62           HE1      PHE  62  -3.930   1.534   8.059
  433    HE2  PHE  62           HE2      PHE  62  -3.150   4.523   5.133
  434    HZ   PHE  62           HZ       PHE  62  -3.374   3.847   7.507
  435    H    CYS  63           HN       CYS  63  -5.906   0.183   0.340
  436    HA   CYS  63           HA       CYS  63  -7.557  -2.128   0.422
  437    HB2  CYS  63           HB2      CYS  63  -7.312  -0.693  -1.624
  438    HB3  CYS  63           HB1      CYS  63  -5.684  -1.340  -1.827
  439    H    GLU  64           HN       GLU  64  -7.055  -4.149   0.897
  440    HA   GLU  64           HA       GLU  64  -4.282  -4.777   1.491
  441    HB2  GLU  64           HB2      GLU  64  -6.828  -6.345   1.944
  442    HB3  GLU  64           HB1      GLU  64  -5.230  -6.867   2.456
  443    HG2  GLU  64           HG2      GLU  64  -5.061  -4.821   3.852
  444    HG3  GLU  64           HG1      GLU  64  -6.722  -4.431   3.410
  445    H    MET  65           HN       MET  65  -5.548  -4.593  -1.301
  446    HA   MET  65           HA       MET  65  -4.334  -7.107  -2.242
  447    HB2  MET  65           HB2      MET  65  -6.645  -5.584  -3.443
  448    HB3  MET  65           HB1      MET  65  -5.763  -6.850  -4.295
  449    HG2  MET  65           HG2      MET  65  -6.400  -8.448  -2.540
  450    HG3  MET  65           HG1      MET  65  -7.332  -7.177  -1.745
  451    HE1  MET  65           HE1      MET  65  -8.361 -10.078  -2.722
  452    HE2  MET  65           HE2      MET  65  -9.949  -9.687  -3.381
  453    HE3  MET  65           HE3      MET  65  -9.421  -8.959  -1.865
  454    H    CYS  66           HN       CYS  66  -4.241  -3.675  -2.351
  455    HA   CYS  66           HA       CYS  66  -2.065  -3.726  -4.215
  456    HB2  CYS  66           HB2      CYS  66  -3.049  -2.477  -5.988
  457    HB3  CYS  66           HB1      CYS  66  -4.194  -3.767  -5.639
  458    HA   PRO  67           HA       PRO  67  -1.015  -0.060  -1.984
  459    HB2  PRO  67           HB2      PRO  67   0.050   1.241  -4.391
  460    HB3  PRO  67           HB1      PRO  67   0.913   0.645  -2.969
  461    HG2  PRO  67           HG2      PRO  67   1.120  -0.579  -5.343
  462    HG3  PRO  67           HG1      PRO  67   1.108  -1.492  -3.821
  463    HD2  PRO  67           HD2      PRO  67  -1.163  -1.021  -5.749
  464    HD3  PRO  67           HD1      PRO  67  -0.647  -2.541  -4.973
  465    H    SER  68           HN       SER  68  -3.609   0.024  -3.855
  466    HA   SER  68           HA       SER  68  -3.905   2.904  -4.069
  467    HB2  SER  68           HB2      SER  68  -5.941   0.720  -4.604
  468    HB3  SER  68           HB1      SER  68  -6.096   2.423  -5.037
  469    HG   SER  68           HG       SER  68  -4.747   2.158  -6.668
  470    H    SER  69           HN       SER  69  -3.810   3.582  -1.957
  471    HA   SER  69           HA       SER  69  -5.834   2.626  -0.086
  472    HB2  SER  69           HB2      SER  69  -4.489   4.473   1.315
  473    HB3  SER  69           HB1      SER  69  -3.877   2.827   1.115
  474    HG   SER  69           HG       SER  69  -3.125   5.181  -0.279
  475    H    PHE  70           HN       PHE  70  -7.090   4.319   1.153
  476    HA   PHE  70           HA       PHE  70  -7.655   6.681  -0.500
  477    HB2  PHE  70           HB2      PHE  70  -9.782   4.795   0.548
  478    HB3  PHE  70           HB1      PHE  70 -10.066   6.293  -0.343
  479    HD1  PHE  70           HD1      PHE  70  -9.165   6.436  -2.721
  480    HD2  PHE  70           HD2      PHE  70  -9.533   2.782  -0.575
  481    HE1  PHE  70           HE1      PHE  70  -9.110   5.189  -4.842
  482    HE2  PHE  70           HE2      PHE  70  -9.478   1.529  -2.689
  483    HZ   PHE  70           HZ       PHE  70  -9.264   2.732  -4.829
  484    H    CYS  71           HN       CYS  71  -8.607   8.418   0.604
  485    HA   CYS  71           HA       CYS  71  -7.981   8.545   3.413
  486    HB2  CYS  71           HB2      CYS  71  -8.578  10.892   3.254
  487    HB3  CYS  71           HB1      CYS  71  -7.589  10.459   1.861
  488    H    LYS  72           HN       LYS  72  -9.718   9.770   4.816
  489    HA   LYS  72           HA       LYS  72 -11.804   8.047   5.373
  490    HB2  LYS  72           HB2      LYS  72 -11.540  10.997   5.920
  491    HB3  LYS  72           HB1      LYS  72 -12.827  10.002   6.584
  492    HG2  LYS  72           HG2      LYS  72 -11.179   8.620   7.727
  493    HG3  LYS  72           HG1      LYS  72  -9.883   9.602   7.047
  494    HD2  LYS  72           HD2      LYS  72 -10.610  11.524   8.261
  495    HD3  LYS  72           HD1      LYS  72 -12.079  10.701   8.786
  496    HE2  LYS  72           HE2      LYS  72  -9.276   9.882   9.505
  497    HE3  LYS  72           HE1      LYS  72 -10.352  10.812  10.546
  498    HZ1  LYS  72           HZ1      LYS  72 -10.450   8.528  11.183
  499    HZ2  LYS  72           HZ2      LYS  72 -10.750   8.027   9.599
  500    HZ3  LYS  72           HZ3      LYS  72 -11.921   8.914  10.438
  501    H    GLN  73           HN       GLN  73 -11.713  10.705   3.119
  502    HA   GLN  73           HA       GLN  73 -14.564  10.783   2.738
  503    HB2  GLN  73           HB2      GLN  73 -12.337  12.111   1.199
  504    HB3  GLN  73           HB1      GLN  73 -14.049  12.474   1.030
  505    HG2  GLN  73           HG2      GLN  73 -14.133  13.273   3.315
  506    HG3  GLN  73           HG1      GLN  73 -12.447  12.820   3.559
  507   HE21  GLN  73          HE21      GLN  73 -13.644  14.262   0.603
  508   HE22  GLN  73          HE22      GLN  73 -12.847  15.784   0.802
  509    H    HIS  74           HN       HIS  74 -11.762   9.716   0.834
  510    HA   HIS  74           HA       HIS  74 -13.548   8.941  -1.336
  511    HB2  HIS  74           HB2      HIS  74 -10.526   9.008  -1.181
  512    HB3  HIS  74           HB1      HIS  74 -11.444   8.514  -2.608
  513    HD2  HIS  74           HD2      HIS  74 -13.646  10.906  -2.591
  514    HE1  HIS  74           HE1      HIS  74 -10.265  13.432  -2.723
  515    HE2  HIS  74           HE2      HIS  74 -12.789  13.335  -2.898
  516    H    ARG  75           HN       ARG  75 -12.891   7.426   1.365
  517    HA   ARG  75           HA       ARG  75 -12.219   4.848   0.207
  518    HB2  ARG  75           HB2      ARG  75 -12.218   3.985   2.455
  519    HB3  ARG  75           HB1      ARG  75 -11.287   5.472   2.403
  520    HG2  ARG  75           HG2      ARG  75 -13.220   6.677   3.338
  521    HG3  ARG  75           HG1      ARG  75 -14.089   5.145   3.449
  522    HD2  ARG  75           HD2      ARG  75 -12.332   4.269   4.918
  523    HD3  ARG  75           HD1      ARG  75 -11.486   5.807   4.825
  524    HE   ARG  75           HE       ARG  75 -13.801   6.638   5.771
  525   HH11  ARG  75          HH11      ARG  75 -11.996   3.769   6.660
  526   HH12  ARG  75          HH12      ARG  75 -12.557   3.770   8.299
  527   HH21  ARG  75          HH21      ARG  75 -14.532   6.642   7.930
  528   HH22  ARG  75          HH22      ARG  75 -14.007   5.397   9.020
  529    H    GLU  76           HN       GLU  76 -15.001   6.649   1.075
  530    HA   GLU  76           HA       GLU  76 -16.768   4.485   1.519
  531    HB2  GLU  76           HB2      GLU  76 -17.309   7.318   0.635
  532    HB3  GLU  76           HB1      GLU  76 -18.550   6.171   1.124
  533    HG2  GLU  76           HG2      GLU  76 -17.530   6.034   3.346
  534    HG3  GLU  76           HG1      GLU  76 -16.308   7.202   2.847
  535    H    GLY  77           HN       GLY  77 -17.586   3.101   0.098
  536    HA2  GLY  77           HA2      GLY  77 -18.495   2.312  -1.872
  537    HA3  GLY  77           HA1      GLY  77 -18.280   3.910  -2.571
  538    H    MET  78           HN       MET  78 -15.381   3.877  -1.847
  539    HA   MET  78           HA       MET  78 -14.536   2.548  -4.291
  540    HB2  MET  78           HB2      MET  78 -12.977   4.311  -2.375
  541    HB3  MET  78           HB1      MET  78 -12.377   3.702  -3.911
  542    HG2  MET  78           HG2      MET  78 -14.718   5.575  -3.557
  543    HG3  MET  78           HG1      MET  78 -13.097   6.031  -4.080
  544    HE1  MET  78           HE1      MET  78 -15.208   6.469  -7.338
  545    HE2  MET  78           HE2      MET  78 -14.127   7.246  -6.181
  546    HE3  MET  78           HE3      MET  78 -15.756   6.779  -5.691
  547    H    LEU  79           HN       LEU  79 -14.117   2.231  -0.830
  548    HA   LEU  79           HA       LEU  79 -12.632  -0.264  -1.319
  549    HB2  LEU  79           HB2      LEU  79 -11.341   1.683  -0.253
  550    HB3  LEU  79           HB1      LEU  79 -12.373   1.450   1.148
  551    HG   LEU  79           HG       LEU  79 -11.510  -0.872   1.354
  552   HD11  LEU  79          HD11      LEU  79 -10.854  -1.273  -0.941
  553   HD12  LEU  79          HD12      LEU  79  -9.466  -1.458   0.126
  554   HD13  LEU  79          HD13      LEU  79  -9.644   0.004  -0.842
  555   HD21  LEU  79          HD21      LEU  79  -9.281  -0.218   2.171
  556   HD22  LEU  79          HD22      LEU  79 -10.543   0.903   2.678
  557   HD23  LEU  79          HD23      LEU  79  -9.459   1.336   1.357
  558    H    PHE  80           HN       PHE  80 -13.330  -2.055  -0.180
  559    HA   PHE  80           HA       PHE  80 -15.388  -1.740   1.852
  560    HB2  PHE  80           HB2      PHE  80 -16.877  -3.384   0.657
  561    HB3  PHE  80           HB1      PHE  80 -16.755  -1.814  -0.122
  562    HD1  PHE  80           HD1      PHE  80 -15.880  -1.597  -2.322
  563    HD2  PHE  80           HD2      PHE  80 -15.675  -5.341  -0.298
  564    HE1  PHE  80           HE1      PHE  80 -15.229  -2.695  -4.419
  565    HE2  PHE  80           HE2      PHE  80 -15.027  -6.436  -2.398
  566    HZ   PHE  80           HZ       PHE  80 -14.837  -5.115  -4.469
  567    H    ILE  81           HN       ILE  81 -15.962  -3.869   2.819
  568    HA   ILE  81           HA       ILE  81 -13.548  -5.430   3.205
  569    HB   ILE  81           HB       ILE  81 -16.225  -5.441   4.590
  570   HG12  ILE  81          HG12      ILE  81 -14.649  -3.579   5.089
  571   HG13  ILE  81          HG11      ILE  81 -14.999  -4.584   6.488
  572   HG21  ILE  81          HG21      ILE  81 -13.852  -7.211   5.114
  573   HG22  ILE  81          HG22      ILE  81 -15.447  -7.717   4.555
  574   HG23  ILE  81          HG23      ILE  81 -15.251  -7.051   6.176
  575   HD11  ILE  81          HD11      ILE  81 -12.509  -4.640   4.807
  576   HD12  ILE  81          HD12      ILE  81 -12.863  -5.762   6.121
  577   HD13  ILE  81          HD13      ILE  81 -12.671  -4.041   6.458
  578    H    SER  82           HN       SER  82 -13.170  -7.333   2.340
  579    HA   SER  82           HA       SER  82 -14.804  -8.524   0.399
  580    HB2  SER  82           HB2      SER  82 -12.455  -8.936   0.337
  581    HB3  SER  82           HB1      SER  82 -12.453  -9.538   1.991
  582    HG   SER  82           HG       SER  82 -13.321 -10.779  -0.370
  583    H    LYS  83           HN       LYS  83 -16.417  -9.935   0.525
  584    HA   LYS  83           HA       LYS  83 -17.496 -10.736   3.050
  585    HB2  LYS  83           HB2      LYS  83 -18.191 -11.663   0.256
  586    HB3  LYS  83           HB1      LYS  83 -19.144 -11.961   1.702
  587    HG2  LYS  83           HG2      LYS  83 -19.577  -9.596   1.949
  588    HG3  LYS  83           HG1      LYS  83 -18.539  -9.240   0.569
  589    HD2  LYS  83           HD2      LYS  83 -20.045 -10.572  -0.864
  590    HD3  LYS  83           HD1      LYS  83 -21.106 -10.821   0.522
  591    HE2  LYS  83           HE2      LYS  83 -20.383  -8.154  -0.688
  592    HE3  LYS  83           HE1      LYS  83 -21.901  -9.014  -0.929
  593    HZ1  LYS  83           HZ1      LYS  83 -22.346  -8.821   1.437
  594    HZ2  LYS  83           HZ2      LYS  83 -22.115  -7.298   0.750
  595    HZ3  LYS  83           HZ3      LYS  83 -20.886  -7.997   1.672
  596    H    LEU  84           HN       LEU  84 -15.255 -12.025   0.793
  597    HA   LEU  84           HA       LEU  84 -15.524 -14.760   1.685
  598    HB2  LEU  84           HB2      LEU  84 -13.553 -13.455  -0.183
  599    HB3  LEU  84           HB1      LEU  84 -13.676 -15.180   0.102
  600    HG   LEU  84           HG       LEU  84 -15.879 -13.487  -1.085
  601   HD11  LEU  84          HD11      LEU  84 -13.907 -15.326  -2.427
  602   HD12  LEU  84          HD12      LEU  84 -13.972 -13.571  -2.585
  603   HD13  LEU  84          HD13      LEU  84 -15.292 -14.562  -3.206
  604   HD21  LEU  84          HD21      LEU  84 -16.711 -15.467   0.053
  605   HD22  LEU  84          HD22      LEU  84 -15.557 -16.476  -0.819
  606   HD23  LEU  84          HD23      LEU  84 -16.854 -15.661  -1.693
  607    H    ASP  85           HN       ASP  85 -12.919 -12.306   1.730
  608    HA   ASP  85           HA       ASP  85 -11.487 -14.016   3.642
  609    HB2  ASP  85           HB2      ASP  85 -10.444 -11.638   2.100
  610    HB3  ASP  85           HB1      ASP  85  -9.493 -12.722   3.103
  611    H    GLY  86           HN       GLY  86 -13.191 -11.048   3.468
  612    HA2  GLY  86           HA2      GLY  86 -13.675  -9.541   5.159
  613    HA3  GLY  86           HA1      GLY  86 -12.565 -10.405   6.211
  614    H    ARG  87           HN       ARG  87 -11.009  -9.815   3.363
  615    HA   ARG  87           HA       ARG  87  -9.403  -7.732   4.546
  616    HB2  ARG  87           HB2      ARG  87  -9.198  -9.167   1.893
  617    HB3  ARG  87           HB1      ARG  87  -8.013  -8.018   2.500
  618    HG2  ARG  87           HG2      ARG  87  -7.567  -9.473   4.401
  619    HG3  ARG  87           HG1      ARG  87  -8.763 -10.623   3.810
  620    HD2  ARG  87           HD2      ARG  87  -7.436 -10.951   1.782
  621    HD3  ARG  87           HD1      ARG  87  -6.248  -9.788   2.376
  622    HE   ARG  87           HE       ARG  87  -6.558 -11.745   4.333
  623   HH11  ARG  87          HH11      ARG  87  -5.362 -11.508   1.051
  624   HH12  ARG  87          HH12      ARG  87  -4.243 -12.819   1.234
  625   HH21  ARG  87          HH21      ARG  87  -5.095 -13.461   4.578
  626   HH22  ARG  87          HH22      ARG  87  -4.088 -13.935   3.247
  627    H    LEU  88           HN       LEU  88  -9.060  -5.683   3.691
  628    HA   LEU  88           HA       LEU  88 -11.300  -4.448   2.434
  629    HB2  LEU  88           HB2      LEU  88  -8.517  -3.487   3.056
  630    HB3  LEU  88           HB1      LEU  88  -9.708  -2.475   2.275
  631    HG   LEU  88           HG       LEU  88 -10.309  -3.752   4.915
  632   HD11  LEU  88          HD11      LEU  88  -8.180  -2.593   5.188
  633   HD12  LEU  88          HD12      LEU  88  -9.478  -1.722   6.004
  634   HD13  LEU  88          HD13      LEU  88  -8.868  -1.144   4.455
  635   HD21  LEU  88          HD21      LEU  88 -12.137  -2.709   3.648
  636   HD22  LEU  88          HD22      LEU  88 -11.224  -1.200   3.592
  637   HD23  LEU  88          HD23      LEU  88 -11.789  -1.832   5.138
  638    H    SER  89           HN       SER  89 -11.768  -4.406   0.343
  639    HA   SER  89           HA       SER  89  -9.551  -4.583  -1.587
  640    HB2  SER  89           HB2      SER  89 -10.832  -6.736  -1.407
  641    HB3  SER  89           HB1      SER  89 -12.271  -5.868  -1.941
  642    HG   SER  89           HG       SER  89 -10.170  -6.818  -3.394
  643    H    CYS  90           HN       CYS  90  -9.621  -3.154  -3.243
  644    HA   CYS  90           HA       CYS  90 -11.596  -1.039  -3.053
  645    HB2  CYS  90           HB2      CYS  90 -10.135   0.251  -4.463
  646    HB3  CYS  90           HB1      CYS  90  -9.123  -0.576  -3.279
  647    H    THR  91           HN       THR  91 -12.622  -0.159  -5.002
  648    HA   THR  91           HA       THR  91 -13.930  -2.216  -6.484
  649    HB   THR  91           HB       THR  91 -14.972  -0.240  -7.700
  650    HG1  THR  91           HG1      THR  91 -13.396   1.331  -7.349
  651   HG21  THR  91          HG21      THR  91 -16.063  -1.343  -5.820
  652   HG22  THR  91          HG22      THR  91 -16.347   0.397  -5.774
  653   HG23  THR  91          HG23      THR  91 -15.162  -0.333  -4.690
  654    H    GLU  92           HN       GLU  92 -10.931  -1.043  -6.895
  655    HA   GLU  92           HA       GLU  92 -11.028  -0.648  -9.765
  656    HB2  GLU  92           HB2      GLU  92  -8.678  -0.562  -7.866
  657    HB3  GLU  92           HB1      GLU  92  -8.658  -0.077  -9.558
  658    HG2  GLU  92           HG2      GLU  92 -10.190   1.227  -7.319
  659    HG3  GLU  92           HG1      GLU  92  -8.799   1.883  -8.179
  660    H    HIS  93           HN       HIS  93 -11.254  -3.264  -8.050
  661    HA   HIS  93           HA       HIS  93  -9.387  -4.842  -9.686
  662    HB2  HIS  93           HB2      HIS  93 -10.684  -5.553  -7.042
  663    HB3  HIS  93           HB1      HIS  93  -9.643  -6.623  -7.971
  664    HD1  HIS  93           HD1      HIS  93  -7.573  -4.134  -8.594
  665    HD2  HIS  93           HD2      HIS  93  -8.909  -5.569  -4.929
  666    HE1  HIS  93           HE1      HIS  93  -5.816  -3.490  -6.890
  667    H    ASP  94           HN       ASP  94 -10.245  -6.164 -11.168
  668    HA   ASP  94           HA       ASP  94 -13.146  -6.564 -11.163
  669    HB2  ASP  94           HB2      ASP  94 -12.264  -5.575 -13.198
  670    HB3  ASP  94           HB1      ASP  94 -11.100  -6.884 -13.363
  Start of MODEL   14
    1    H1   GLY   1           HT1      GLY   1   7.230 -12.407  15.486
    2    H2   GLY   1           HT2      GLY   1   7.669 -12.144  17.093
    3    H3   GLY   1           HT3      GLY   1   8.108 -13.585  16.321
    4    HA2  GLY   1           HA1      GLY   1  10.004 -12.115  16.481
    5    HA3  GLY   1           HA2      GLY   1   9.540 -12.388  14.808
    6    H    ALA   2           HN       ALA   2  10.965 -10.311  14.865
    7    HA   ALA   2           HA       ALA   2   9.161  -7.993  15.129
    8    HB1  ALA   2           HB1      ALA   2  12.164  -8.020  15.418
    9    HB2  ALA   2           HB2      ALA   2  11.003  -7.911  16.741
   10    HB3  ALA   2           HB3      ALA   2  11.118  -6.607  15.559
   11    H    MET   3           HN       MET   3   8.691  -9.047  12.882
   12    HA   MET   3           HA       MET   3  10.622  -8.312  10.840
   13    HB2  MET   3           HB2      MET   3   7.923  -9.652  10.684
   14    HB3  MET   3           HB1      MET   3   8.909  -9.274   9.279
   15    HG2  MET   3           HG2      MET   3   9.675 -11.100  11.542
   16    HG3  MET   3           HG1      MET   3   9.155 -11.593   9.935
   17    HE1  MET   3           HE1      MET   3  12.088 -10.388   7.671
   18    HE2  MET   3           HE2      MET   3  10.605  -9.505   8.036
   19    HE3  MET   3           HE3      MET   3  10.547 -11.243   7.743
   20    H    GLU   4           HN       GLU   4  10.629  -6.066  10.983
   21    HA   GLU   4           HA       GLU   4   8.119  -4.676  10.444
   22    HB2  GLU   4           HB2      GLU   4   9.882  -3.905  12.162
   23    HB3  GLU   4           HB1      GLU   4  10.809  -3.375  10.767
   24    HG2  GLU   4           HG2      GLU   4   9.646  -1.489  11.531
   25    HG3  GLU   4           HG1      GLU   4   8.794  -2.029  10.086
   26    H    ARG   5           HN       ARG   5  10.752  -5.980   8.797
   27    HA   ARG   5           HA       ARG   5   9.961  -4.517   6.378
   28    HB2  ARG   5           HB2      ARG   5  12.759  -5.406   7.095
   29    HB3  ARG   5           HB1      ARG   5  12.285  -4.673   5.568
   30    HG2  ARG   5           HG2      ARG   5  11.581  -2.649   6.837
   31    HG3  ARG   5           HG1      ARG   5  12.255  -3.388   8.290
   32    HD2  ARG   5           HD2      ARG   5  14.447  -3.521   7.154
   33    HD3  ARG   5           HD1      ARG   5  13.749  -2.685   5.767
   34    HE   ARG   5           HE       ARG   5  13.367  -1.213   8.174
   35   HH11  ARG   5          HH11      ARG   5  15.691  -1.948   5.665
   36   HH12  ARG   5          HH12      ARG   5  16.653  -0.537   5.967
   37   HH21  ARG   5          HH21      ARG   5  14.623   0.660   8.566
   38   HH22  ARG   5          HH22      ARG   5  16.049   0.946   7.617
   39    H    GLU   6           HN       GLU   6   8.754  -5.980   5.354
   40    HA   GLU   6           HA       GLU   6   9.221  -8.784   5.406
   41    HB2  GLU   6           HB2      GLU   6   7.000  -7.750   5.029
   42    HB3  GLU   6           HB1      GLU   6   7.562  -7.128   3.487
   43    HG2  GLU   6           HG2      GLU   6   6.159  -9.141   3.282
   44    HG3  GLU   6           HG1      GLU   6   7.771  -9.348   2.602
   45    H    ASP   7           HN       ASP   7   9.719 -10.105   3.459
   46    HA   ASP   7           HA       ASP   7  11.706  -8.718   1.773
   47    HB2  ASP   7           HB2      ASP   7  12.599 -10.405   3.451
   48    HB3  ASP   7           HB1      ASP   7  11.789 -11.646   2.499
   49    H    GLU   8           HN       GLU   8   9.193  -8.623   0.938
   50    HA   GLU   8           HA       GLU   8   9.354  -9.909  -1.605
   51    HB2  GLU   8           HB2      GLU   8   8.377 -11.736  -0.266
   52    HB3  GLU   8           HB1      GLU   8   7.088 -10.663   0.253
   53    HG2  GLU   8           HG2      GLU   8   6.314 -10.474  -2.050
   54    HG3  GLU   8           HG1      GLU   8   7.609 -11.551  -2.576
   55    H    CYS   9           HN       CYS   9   8.074  -8.836  -3.122
   56    HA   CYS   9           HA       CYS   9   7.055  -6.282  -2.218
   57    HB2  CYS   9           HB2      CYS   9   8.358  -6.390  -4.286
   58    HB3  CYS   9           HB1      CYS   9   7.189  -7.518  -4.972
   59    H    PHE  10           HN       PHE  10   5.032  -6.013  -1.609
   60    HA   PHE  10           HA       PHE  10   3.083  -8.047  -1.801
   61    HB2  PHE  10           HB2      PHE  10   3.052  -6.487   0.047
   62    HB3  PHE  10           HB1      PHE  10   2.862  -5.123  -1.044
   63    HD1  PHE  10           HD1      PHE  10   0.760  -4.271  -1.424
   64    HD2  PHE  10           HD2      PHE  10   1.150  -8.278  -0.037
   65    HE1  PHE  10           HE1      PHE  10  -1.683  -4.426  -1.194
   66    HE2  PHE  10           HE2      PHE  10  -1.294  -8.438   0.187
   67    HZ   PHE  10           HZ       PHE  10  -2.711  -6.511  -0.388
   68    H    SER  11           HN       SER  11   3.944  -5.446  -3.904
   69    HA   SER  11           HA       SER  11   1.458  -5.359  -5.319
   70    HB2  SER  11           HB2      SER  11   4.167  -4.362  -6.214
   71    HB3  SER  11           HB1      SER  11   2.599  -3.880  -6.859
   72    HG   SER  11           HG       SER  11   2.959  -2.322  -5.443
   73    H    CYS  12           HN       CYS  12   4.586  -6.959  -5.826
   74    HA   CYS  12           HA       CYS  12   3.579  -7.940  -8.406
   75    HB2  CYS  12           HB2      CYS  12   6.449  -7.835  -7.477
   76    HB3  CYS  12           HB1      CYS  12   5.871  -8.173  -9.107
   77    H    GLY  13           HN       GLY  13   4.769  -8.993  -5.294
   78    HA2  GLY  13           HA2      GLY  13   4.480 -11.148  -4.408
   79    HA3  GLY  13           HA1      GLY  13   4.193 -11.759  -6.033
   80    H    ASP  14           HN       ASP  14   6.768  -9.979  -6.554
   81    HA   ASP  14           HA       ASP  14   8.607 -12.220  -6.178
   82    HB2  ASP  14           HB2      ASP  14   8.690  -9.782  -7.953
   83    HB3  ASP  14           HB1      ASP  14  10.097 -10.809  -7.719
   84    H    ALA  15           HN       ALA  15  10.800 -11.792  -5.489
   85    HA   ALA  15           HA       ALA  15  11.016  -9.462  -3.704
   86    HB1  ALA  15           HB1      ALA  15  12.222 -12.191  -3.276
   87    HB2  ALA  15           HB2      ALA  15  10.795 -11.561  -2.453
   88    HB3  ALA  15           HB3      ALA  15  12.365 -10.798  -2.202
   89    H    GLY  16           HN       GLY  16  13.207  -8.663  -3.400
   90    HA2  GLY  16           HA2      GLY  16  15.512  -9.259  -4.640
   91    HA3  GLY  16           HA1      GLY  16  14.561  -8.570  -5.950
   92    H    GLN  17           HN       GLN  17  14.743  -6.435  -6.234
   93    HA   GLN  17           HA       GLN  17  16.103  -4.839  -4.248
   94    HB2  GLN  17           HB2      GLN  17  16.601  -4.511  -6.624
   95    HB3  GLN  17           HB1      GLN  17  14.928  -4.054  -6.919
   96    HG2  GLN  17           HG2      GLN  17  15.215  -2.136  -5.409
   97    HG3  GLN  17           HG1      GLN  17  16.909  -2.576  -5.204
   98   HE21  GLN  17          HE21      GLN  17  17.599  -0.615  -6.035
   99   HE22  GLN  17          HE22      GLN  17  17.516  -0.257  -7.726
  100    H    LEU  18           HN       LEU  18  14.652  -4.840  -2.531
  101    HA   LEU  18           HA       LEU  18  12.067  -3.552  -3.002
  102    HB2  LEU  18           HB2      LEU  18  13.050  -5.096  -0.603
  103    HB3  LEU  18           HB1      LEU  18  11.442  -4.417  -0.791
  104    HG   LEU  18           HG       LEU  18  12.545  -6.483  -2.677
  105   HD11  LEU  18          HD11      LEU  18  12.555  -7.467  -0.478
  106   HD12  LEU  18          HD12      LEU  18  11.211  -8.118  -1.416
  107   HD13  LEU  18          HD13      LEU  18  10.915  -6.893  -0.185
  108   HD21  LEU  18          HD21      LEU  18  10.185  -6.830  -3.189
  109   HD22  LEU  18          HD22      LEU  18  10.681  -5.170  -3.507
  110   HD23  LEU  18          HD23      LEU  18   9.754  -5.549  -2.058
  111    H    VAL  19           HN       VAL  19  11.494  -1.704  -1.997
  112    HA   VAL  19           HA       VAL  19  13.486  -0.427  -0.246
  113    HB   VAL  19           HB       VAL  19  13.243   0.894  -2.241
  114   HG11  VAL  19          HG11      VAL  19  11.167   0.105  -3.121
  115   HG12  VAL  19          HG12      VAL  19  11.048   1.851  -2.910
  116   HG13  VAL  19          HG13      VAL  19  10.276   0.769  -1.751
  117   HG21  VAL  19          HG21      VAL  19  12.411   3.019  -1.331
  118   HG22  VAL  19          HG22      VAL  19  13.447   2.161  -0.191
  119   HG23  VAL  19          HG23      VAL  19  11.697   2.142   0.023
  120    H    SER  20           HN       SER  20  12.849   0.086   1.779
  121    HA   SER  20           HA       SER  20  10.192  -0.906   2.495
  122    HB2  SER  20           HB2      SER  20  12.176  -2.008   3.499
  123    HB3  SER  20           HB1      SER  20  12.600  -0.484   4.276
  124    HG   SER  20           HG       SER  20  10.979  -0.716   5.659
  125    H    CYS  21           HN       CYS  21   8.910   0.127   3.979
  126    HA   CYS  21           HA       CYS  21   8.790   2.962   3.708
  127    HB2  CYS  21           HB2      CYS  21   6.858   1.283   3.925
  128    HB3  CYS  21           HB1      CYS  21   7.224   1.256   5.649
  129    H    LYS  22           HN       LYS  22   9.405   4.540   5.162
  130    HA   LYS  22           HA       LYS  22  11.086   3.653   7.373
  131    HB2  LYS  22           HB2      LYS  22  10.558   6.455   6.360
  132    HB3  LYS  22           HB1      LYS  22  11.787   5.988   7.525
  133    HG2  LYS  22           HG2      LYS  22  11.682   5.134   4.638
  134    HG3  LYS  22           HG1      LYS  22  12.738   6.373   5.317
  135    HD2  LYS  22           HD2      LYS  22  13.745   4.644   6.781
  136    HD3  LYS  22           HD1      LYS  22  12.751   3.428   5.973
  137    HE2  LYS  22           HE2      LYS  22  14.944   3.419   4.985
  138    HE3  LYS  22           HE1      LYS  22  13.797   4.077   3.820
  139    HZ1  LYS  22           HZ1      LYS  22  14.522   6.328   4.547
  140    HZ2  LYS  22           HZ2      LYS  22  15.740   5.427   3.799
  141    HZ3  LYS  22           HZ3      LYS  22  15.731   5.598   5.478
  142    H    LYS  23           HN       LYS  23   8.255   3.265   7.577
  143    HA   LYS  23           HA       LYS  23   7.609   5.052   9.828
  144    HB2  LYS  23           HB2      LYS  23   6.029   5.329   7.974
  145    HB3  LYS  23           HB1      LYS  23   5.738   3.597   7.943
  146    HG2  LYS  23           HG2      LYS  23   3.895   4.637   9.027
  147    HG3  LYS  23           HG1      LYS  23   4.820   3.766  10.246
  148    HD2  LYS  23           HD2      LYS  23   4.175   5.903  11.133
  149    HD3  LYS  23           HD1      LYS  23   5.919   5.901  10.871
  150    HE2  LYS  23           HE2      LYS  23   4.987   8.005  10.126
  151    HE3  LYS  23           HE1      LYS  23   5.570   7.091   8.737
  152    HZ1  LYS  23           HZ1      LYS  23   3.214   6.334   8.436
  153    HZ2  LYS  23           HZ2      LYS  23   3.484   7.982   8.150
  154    HZ3  LYS  23           HZ3      LYS  23   2.763   7.476   9.601
  155    HA   PRO  24           HA       PRO  24   7.998   1.210  12.228
  156    HB2  PRO  24           HB2      PRO  24   6.761   3.018  14.241
  157    HB3  PRO  24           HB1      PRO  24   8.184   1.981  14.388
  158    HG2  PRO  24           HG2      PRO  24   8.449   4.618  14.159
  159    HG3  PRO  24           HG1      PRO  24   9.574   3.515  13.342
  160    HD2  PRO  24           HD2      PRO  24   7.285   5.077  12.201
  161    HD3  PRO  24           HD1      PRO  24   8.882   4.741  11.497
  162    H    GLY  25           HN       GLY  25   6.478  -0.367  12.481
  163    HA2  GLY  25           HA2      GLY  25   4.322  -1.208  12.954
  164    HA3  GLY  25           HA1      GLY  25   3.667   0.414  12.749
  165    H    CYS  26           HN       CYS  26   5.548   0.272  10.186
  166    HA   CYS  26           HA       CYS  26   3.513  -1.042   8.509
  167    HB2  CYS  26           HB2      CYS  26   3.840   1.432   8.215
  168    HB3  CYS  26           HB1      CYS  26   5.497   1.102   7.716
  169    HA   PRO  27           HA       PRO  27   7.139  -3.644   7.757
  170    HB2  PRO  27           HB2      PRO  27   5.871  -5.983   7.671
  171    HB3  PRO  27           HB1      PRO  27   6.044  -5.117   9.205
  172    HG2  PRO  27           HG2      PRO  27   3.668  -5.365   7.416
  173    HG3  PRO  27           HG1      PRO  27   3.740  -5.325   9.192
  174    HD2  PRO  27           HD2      PRO  27   3.151  -3.147   7.492
  175    HD3  PRO  27           HD1      PRO  27   3.548  -3.061   9.223
  176    H    LYS  28           HN       LYS  28   4.980  -2.421   5.725
  177    HA   LYS  28           HA       LYS  28   4.987  -4.434   3.653
  178    HB2  LYS  28           HB2      LYS  28   3.424  -2.124   4.261
  179    HB3  LYS  28           HB1      LYS  28   4.100  -1.907   2.650
  180    HG2  LYS  28           HG2      LYS  28   1.896  -2.962   2.567
  181    HG3  LYS  28           HG1      LYS  28   3.151  -4.026   1.931
  182    HD2  LYS  28           HD2      LYS  28   3.181  -5.292   3.999
  183    HD3  LYS  28           HD1      LYS  28   2.032  -4.171   4.734
  184    HE2  LYS  28           HE2      LYS  28   0.332  -4.824   3.135
  185    HE3  LYS  28           HE1      LYS  28   1.478  -5.879   2.310
  186    HZ1  LYS  28           HZ1      LYS  28   0.062  -7.152   3.765
  187    HZ2  LYS  28           HZ2      LYS  28   0.491  -6.201   5.094
  188    HZ3  LYS  28           HZ3      LYS  28   1.646  -7.189   4.352
  189    H    VAL  29           HN       VAL  29   6.157  -4.449   1.803
  190    HA   VAL  29           HA       VAL  29   8.136  -2.325   1.384
  191    HB   VAL  29           HB       VAL  29   9.015  -4.359   2.722
  192   HG11  VAL  29          HG11      VAL  29   9.813  -6.229   1.385
  193   HG12  VAL  29          HG12      VAL  29   8.982  -5.570  -0.024
  194   HG13  VAL  29          HG13      VAL  29   8.053  -6.113   1.372
  195   HG21  VAL  29          HG21      VAL  29  10.379  -3.270   0.292
  196   HG22  VAL  29          HG22      VAL  29  11.179  -4.330   1.449
  197   HG23  VAL  29          HG23      VAL  29  10.557  -2.767   1.972
  198    H    TYR  30           HN       TYR  30   8.818  -2.145  -0.805
  199    HA   TYR  30           HA       TYR  30   7.436  -3.804  -2.792
  200    HB2  TYR  30           HB2      TYR  30   7.294  -0.778  -2.837
  201    HB3  TYR  30           HB1      TYR  30   6.544  -1.882  -3.980
  202    HD1  TYR  30           HD1      TYR  30   4.668  -3.389  -3.127
  203    HD2  TYR  30           HD2      TYR  30   6.142  -0.063  -0.921
  204    HE1  TYR  30           HE1      TYR  30   2.615  -3.382  -1.777
  205    HE2  TYR  30           HE2      TYR  30   4.093  -0.051   0.434
  206    HH   TYR  30           HH       TYR  30   1.899  -2.593   0.488
  207    H    HIS  31           HN       HIS  31   8.252  -3.242  -5.030
  208    HA   HIS  31           HA       HIS  31  11.102  -2.762  -5.003
  209    HB2  HIS  31           HB2      HIS  31   9.251  -3.024  -7.390
  210    HB3  HIS  31           HB1      HIS  31  11.010  -3.080  -7.424
  211    HD2  HIS  31           HD2      HIS  31  11.901  -5.358  -5.638
  212    HE1  HIS  31           HE1      HIS  31   8.658  -7.620  -7.143
  213    HE2  HIS  31           HE2      HIS  31  11.020  -7.736  -6.210
  214    H    ALA  32           HN       ALA  32  12.130  -0.982  -5.872
  215    HA   ALA  32           HA       ALA  32  10.783   1.493  -5.723
  216    HB1  ALA  32           HB1      ALA  32  13.159   1.292  -5.261
  217    HB2  ALA  32           HB2      ALA  32  12.878   2.449  -6.562
  218    HB3  ALA  32           HB3      ALA  32  13.459   0.827  -6.936
  219    H    ASP  33           HN       ASP  33  11.498  -0.724  -8.316
  220    HA   ASP  33           HA       ASP  33  11.018   1.024 -10.483
  221    HB2  ASP  33           HB2      ASP  33  12.218  -1.126 -10.713
  222    HB3  ASP  33           HB1      ASP  33  10.713  -1.984 -10.413
  223    H    CYS  34           HN       CYS  34   8.863  -1.296  -8.823
  224    HA   CYS  34           HA       CYS  34   6.663  -0.681 -10.550
  225    HB2  CYS  34           HB2      CYS  34   5.344  -2.027  -8.814
  226    HB3  CYS  34           HB1      CYS  34   6.647  -2.880  -9.636
  227    H    LEU  35           HN       LEU  35   8.021   0.844  -7.865
  228    HA   LEU  35           HA       LEU  35   5.582   2.315  -7.236
  229    HB2  LEU  35           HB2      LEU  35   8.367   2.414  -6.096
  230    HB3  LEU  35           HB1      LEU  35   7.081   3.490  -5.593
  231    HG   LEU  35           HG       LEU  35   6.962   0.487  -5.331
  232   HD11  LEU  35          HD11      LEU  35   7.246   1.105  -2.868
  233   HD12  LEU  35          HD12      LEU  35   7.868   2.644  -3.460
  234   HD13  LEU  35          HD13      LEU  35   8.681   1.140  -3.891
  235   HD21  LEU  35          HD21      LEU  35   4.768   1.519  -5.425
  236   HD22  LEU  35          HD22      LEU  35   5.250   2.706  -4.215
  237   HD23  LEU  35          HD23      LEU  35   5.115   1.004  -3.775
  238    H    ASN  36           HN       ASN  36   7.906   2.440  -9.531
  239    HA   ASN  36           HA       ASN  36   8.665   3.962 -11.016
  240    HB2  ASN  36           HB2      ASN  36   6.159   4.473 -11.074
  241    HB3  ASN  36           HB1      ASN  36   6.522   5.841 -10.035
  242   HD21  ASN  36          HD21      ASN  36   7.018   4.436 -13.189
  243   HD22  ASN  36          HD22      ASN  36   7.481   5.900 -13.984
  244    H    LEU  37           HN       LEU  37   9.835   3.853  -8.449
  245    HA   LEU  37           HA       LEU  37  10.437   6.586  -7.701
  246    HB2  LEU  37           HB2      LEU  37  11.354   3.928  -6.641
  247    HB3  LEU  37           HB1      LEU  37  12.013   5.448  -6.073
  248    HG   LEU  37           HG       LEU  37   9.140   4.551  -5.822
  249   HD11  LEU  37          HD11      LEU  37  10.714   3.396  -4.330
  250   HD12  LEU  37          HD12      LEU  37   9.610   4.450  -3.447
  251   HD13  LEU  37          HD13      LEU  37  11.275   4.958  -3.733
  252   HD21  LEU  37          HD21      LEU  37  10.492   7.079  -4.884
  253   HD22  LEU  37          HD22      LEU  37   8.859   6.573  -4.451
  254   HD23  LEU  37          HD23      LEU  37   9.246   6.956  -6.127
  255    H    THR  38           HN       THR  38  11.269   6.951  -9.945
  256    HA   THR  38           HA       THR  38  13.789   5.930 -10.714
  257    HB   THR  38           HB       THR  38  12.613   8.629 -11.411
  258    HG1  THR  38           HG1      THR  38  11.528   7.560 -13.050
  259   HG21  THR  38          HG21      THR  38  14.970   8.304 -12.051
  260   HG22  THR  38          HG22      THR  38  13.913   8.407 -13.458
  261   HG23  THR  38          HG23      THR  38  14.520   6.840 -12.925
  262    H    LYS  39           HN       LYS  39  12.744   8.476  -8.595
  263    HA   LYS  39           HA       LYS  39  15.474   9.353  -8.092
  264    HB2  LYS  39           HB2      LYS  39  12.836  10.309  -6.951
  265    HB3  LYS  39           HB1      LYS  39  14.405  10.984  -6.538
  266    HG2  LYS  39           HG2      LYS  39  14.727  11.700  -8.843
  267    HG3  LYS  39           HG1      LYS  39  13.182  10.982  -9.295
  268    HD2  LYS  39           HD2      LYS  39  12.956  13.386  -8.989
  269    HD3  LYS  39           HD1      LYS  39  12.029  12.516  -7.767
  270    HE2  LYS  39           HE2      LYS  39  13.202  14.396  -6.773
  271    HE3  LYS  39           HE1      LYS  39  13.833  12.876  -6.150
  272    HZ1  LYS  39           HZ1      LYS  39  15.090  14.556  -8.251
  273    HZ2  LYS  39           HZ2      LYS  39  15.689  13.073  -7.709
  274    HZ3  LYS  39           HZ3      LYS  39  15.621  14.390  -6.654
  275    H    ARG  40           HN       ARG  40  16.512   9.054  -6.136
  276    HA   ARG  40           HA       ARG  40  15.527   6.804  -4.574
  277    HB2  ARG  40           HB2      ARG  40  18.178   8.253  -4.424
  278    HB3  ARG  40           HB1      ARG  40  17.778   6.735  -3.629
  279    HG2  ARG  40           HG2      ARG  40  17.617   5.599  -5.719
  280    HG3  ARG  40           HG1      ARG  40  17.762   7.112  -6.612
  281    HD2  ARG  40           HD2      ARG  40  19.877   6.030  -6.709
  282    HD3  ARG  40           HD1      ARG  40  20.035   7.387  -5.595
  283    HE   ARG  40           HE       ARG  40  19.378   5.006  -4.196
  284   HH11  ARG  40          HH11      ARG  40  22.017   6.635  -5.806
  285   HH12  ARG  40          HH12      ARG  40  23.249   5.817  -4.902
  286   HH21  ARG  40          HH21      ARG  40  21.000   3.926  -2.988
  287   HH22  ARG  40          HH22      ARG  40  22.670   4.286  -3.287
  288    HA   PRO  41           HA       PRO  41  13.937   9.850  -1.688
  289    HB2  PRO  41           HB2      PRO  41  12.921   8.058   0.095
  290    HB3  PRO  41           HB1      PRO  41  12.095   8.522  -1.395
  291    HG2  PRO  41           HG2      PRO  41  13.748   6.098  -0.812
  292    HG3  PRO  41           HG1      PRO  41  12.218   6.225  -1.704
  293    HD2  PRO  41           HD2      PRO  41  14.601   6.018  -2.965
  294    HD3  PRO  41           HD1      PRO  41  13.261   6.966  -3.643
  295    H    ALA  42           HN       ALA  42  14.885  10.827   0.006
  296    HA   ALA  42           HA       ALA  42  16.967   9.322   1.442
  297    HB1  ALA  42           HB1      ALA  42  17.842  11.142   0.063
  298    HB2  ALA  42           HB2      ALA  42  18.108  11.450   1.778
  299    HB3  ALA  42           HB3      ALA  42  16.815  12.288   0.924
  300    H    GLY  43           HN       GLY  43  16.701   9.032   3.578
  301    HA2  GLY  43           HA2      GLY  43  16.171   9.630   5.772
  302    HA3  GLY  43           HA1      GLY  43  15.320  11.038   5.158
  303    H    LYS  44           HN       LYS  44  13.293  10.946   5.817
  304    HA   LYS  44           HA       LYS  44  11.985   8.428   6.313
  305    HB2  LYS  44           HB2      LYS  44  11.604  10.281   7.839
  306    HB3  LYS  44           HB1      LYS  44  10.989  11.274   6.523
  307    HG2  LYS  44           HG2      LYS  44   9.140   9.629   6.234
  308    HG3  LYS  44           HG1      LYS  44   9.719   8.800   7.680
  309    HD2  LYS  44           HD2      LYS  44   8.843  11.684   7.560
  310    HD3  LYS  44           HD1      LYS  44   7.853  10.347   8.141
  311    HE2  LYS  44           HE2      LYS  44   9.458   9.912   9.917
  312    HE3  LYS  44           HE1      LYS  44  10.492  11.202   9.314
  313    HZ1  LYS  44           HZ1      LYS  44   9.167  11.932  11.190
  314    HZ2  LYS  44           HZ2      LYS  44   7.742  11.555  10.366
  315    HZ3  LYS  44           HZ3      LYS  44   8.746  12.789   9.795
  316    H    TRP  45           HN       TRP  45  11.353   7.333   4.568
  317    HA   TRP  45           HA       TRP  45   9.675   8.749   2.628
  318    HB2  TRP  45           HB2      TRP  45  11.575   7.678   1.554
  319    HB3  TRP  45           HB1      TRP  45  11.196   6.150   2.343
  320    HD1  TRP  45           HD1      TRP  45   9.719   8.537  -0.313
  321    HE1  TRP  45           HE1      TRP  45   8.257   7.159  -1.911
  322    HE3  TRP  45           HE3      TRP  45  10.008   4.011   2.040
  323    HZ2  TRP  45           HZ2      TRP  45   7.345   4.497  -2.148
  324    HZ3  TRP  45           HZ3      TRP  45   8.812   2.093   1.060
  325    HH2  TRP  45           HH2      TRP  45   7.509   2.333  -0.990
  326    H    GLU  46           HN       GLU  46   7.564   8.373   2.750
  327    HA   GLU  46           HA       GLU  46   6.655   6.029   4.260
  328    HB2  GLU  46           HB2      GLU  46   5.254   8.600   3.514
  329    HB3  GLU  46           HB1      GLU  46   4.451   7.244   4.290
  330    HG2  GLU  46           HG2      GLU  46   5.896   7.454   6.221
  331    HG3  GLU  46           HG1      GLU  46   6.787   8.758   5.436
  332    H    CYS  47           HN       CYS  47   5.525   4.452   3.284
  333    HA   CYS  47           HA       CYS  47   5.537   4.229   0.479
  334    HB2  CYS  47           HB2      CYS  47   4.367   2.153   0.784
  335    HB3  CYS  47           HB1      CYS  47   5.510   2.303   2.112
  336    HA   PRO  48           HA       PRO  48   1.913   6.473  -0.748
  337    HB2  PRO  48           HB2      PRO  48   1.100   4.898  -2.860
  338    HB3  PRO  48           HB1      PRO  48   2.396   6.099  -2.954
  339    HG2  PRO  48           HG2      PRO  48   2.576   3.137  -2.573
  340    HG3  PRO  48           HG1      PRO  48   3.573   4.201  -3.583
  341    HD2  PRO  48           HD2      PRO  48   4.447   3.303  -1.212
  342    HD3  PRO  48           HD1      PRO  48   4.834   4.944  -1.772
  343    H    TRP  49           HN       TRP  49   1.866   3.369   0.490
  344    HA   TRP  49           HA       TRP  49  -0.933   2.792   0.335
  345    HB2  TRP  49           HB2      TRP  49   1.119   1.208   0.761
  346    HB3  TRP  49           HB1      TRP  49   0.925   1.704   2.441
  347    HD1  TRP  49           HD1      TRP  49  -1.883   0.737  -0.066
  348    HE1  TRP  49           HE1      TRP  49  -3.168  -1.268   0.925
  349    HE3  TRP  49           HE3      TRP  49   0.918  -0.021   4.151
  350    HZ2  TRP  49           HZ2      TRP  49  -3.023  -2.926   3.202
  351    HZ3  TRP  49           HZ3      TRP  49   0.274  -1.829   5.689
  352    HH2  TRP  49           HH2      TRP  49  -1.661  -3.255   5.221
  353    H    HIS  50           HN       HIS  50   0.794   5.118   1.965
  354    HA   HIS  50           HA       HIS  50  -1.254   5.340   4.069
  355    HB2  HIS  50           HB2      HIS  50   1.357   6.856   3.848
  356    HB3  HIS  50           HB1      HIS  50   0.228   6.897   5.203
  357    HD1  HIS  50           HD1      HIS  50  -0.052   3.618   5.150
  358    HD2  HIS  50           HD2      HIS  50   3.385   5.936   5.451
  359    HE1  HIS  50           HE1      HIS  50   1.700   2.164   6.271
  360    H    GLN  51           HN       GLN  51  -0.889   6.249   1.019
  361    HA   GLN  51           HA       GLN  51  -1.909   8.972   1.474
  362    HB2  GLN  51           HB2      GLN  51  -0.199   8.036  -0.839
  363    HB3  GLN  51           HB1      GLN  51  -0.894   9.641  -0.669
  364    HG2  GLN  51           HG2      GLN  51   1.012   8.450   1.317
  365    HG3  GLN  51           HG1      GLN  51   1.522   9.432  -0.052
  366   HE21  GLN  51          HE21      GLN  51  -0.146   9.432   3.023
  367   HE22  GLN  51          HE22      GLN  51  -0.119  11.145   3.249
  368    H    CYS  52           HN       CYS  52  -3.705   9.552   0.430
  369    HA   CYS  52           HA       CYS  52  -5.383   7.515  -0.615
  370    HB2  CYS  52           HB2      CYS  52  -6.244   9.467   0.604
  371    HB3  CYS  52           HB1      CYS  52  -5.669  10.524  -0.677
  372    H    ASP  53           HN       ASP  53  -5.331   6.712  -2.591
  373    HA   ASP  53           HA       ASP  53  -3.597   7.594  -4.595
  374    HB2  ASP  53           HB2      ASP  53  -4.467   5.286  -4.441
  375    HB3  ASP  53           HB1      ASP  53  -6.065   5.860  -4.910
  376    H    VAL  54           HN       VAL  54  -6.752   8.693  -3.787
  377    HA   VAL  54           HA       VAL  54  -7.308   9.754  -6.421
  378    HB   VAL  54           HB       VAL  54  -8.847  10.104  -3.845
  379   HG11  VAL  54          HG11      VAL  54  -9.595  10.776  -6.687
  380   HG12  VAL  54          HG12      VAL  54  -9.278  11.927  -5.386
  381   HG13  VAL  54          HG13      VAL  54 -10.678  10.854  -5.296
  382   HG21  VAL  54          HG21      VAL  54  -9.313   8.276  -6.196
  383   HG22  VAL  54          HG22      VAL  54 -10.409   8.491  -4.831
  384   HG23  VAL  54          HG23      VAL  54  -8.811   7.787  -4.577
  385    H    CYS  55           HN       CYS  55  -6.790  11.188  -3.159
  386    HA   CYS  55           HA       CYS  55  -6.444  13.750  -4.549
  387    HB2  CYS  55           HB2      CYS  55  -7.012  14.856  -2.438
  388    HB3  CYS  55           HB1      CYS  55  -8.280  13.772  -2.984
  389    H    GLY  56           HN       GLY  56  -4.597  11.400  -3.036
  390    HA2  GLY  56           HA2      GLY  56  -2.305  11.375  -2.777
  391    HA3  GLY  56           HA1      GLY  56  -2.273  13.069  -3.250
  392    H    LYS  57           HN       LYS  57  -4.476  12.762  -0.803
  393    HA   LYS  57           HA       LYS  57  -2.568  13.831   1.112
  394    HB2  LYS  57           HB2      LYS  57  -5.578  13.644   1.237
  395    HB3  LYS  57           HB1      LYS  57  -4.562  14.444   2.425
  396    HG2  LYS  57           HG2      LYS  57  -3.835  16.051   0.765
  397    HG3  LYS  57           HG1      LYS  57  -4.786  15.226  -0.473
  398    HD2  LYS  57           HD2      LYS  57  -6.835  15.733   0.740
  399    HD3  LYS  57           HD1      LYS  57  -5.902  16.513   2.016
  400    HE2  LYS  57           HE2      LYS  57  -5.097  18.175   0.417
  401    HE3  LYS  57           HE1      LYS  57  -6.013  17.391  -0.868
  402    HZ1  LYS  57           HZ1      LYS  57  -7.187  19.310  -0.007
  403    HZ2  LYS  57           HZ2      LYS  57  -7.165  18.665   1.556
  404    HZ3  LYS  57           HZ3      LYS  57  -8.051  17.898   0.339
  405    H    GLU  58           HN       GLU  58  -3.620  13.192   3.503
  406    HA   GLU  58           HA       GLU  58  -2.548  10.705   4.087
  407    HB2  GLU  58           HB2      GLU  58  -2.835  12.423   5.776
  408    HB3  GLU  58           HB1      GLU  58  -4.582  12.334   5.617
  409    HG2  GLU  58           HG2      GLU  58  -4.561  10.066   6.492
  410    HG3  GLU  58           HG1      GLU  58  -2.803  10.125   6.621
  411    H    ALA  59           HN       ALA  59  -3.266   8.686   3.962
  412    HA   ALA  59           HA       ALA  59  -6.030   8.188   3.188
  413    HB1  ALA  59           HB1      ALA  59  -5.277   5.877   2.846
  414    HB2  ALA  59           HB2      ALA  59  -3.670   6.327   3.419
  415    HB3  ALA  59           HB3      ALA  59  -4.310   7.034   1.936
  416    H    ALA  60           HN       ALA  60  -7.442   6.939   4.384
  417    HA   ALA  60           HA       ALA  60  -6.706   6.619   7.215
  418    HB1  ALA  60           HB1      ALA  60  -9.034   6.906   7.751
  419    HB2  ALA  60           HB2      ALA  60  -9.463   6.935   6.042
  420    HB3  ALA  60           HB3      ALA  60  -8.504   8.243   6.735
  421    H    SER  61           HN       SER  61  -8.146   5.069   4.424
  422    HA   SER  61           HA       SER  61  -8.104   2.536   5.911
  423    HB2  SER  61           HB2      SER  61  -9.967   1.812   4.393
  424    HB3  SER  61           HB1      SER  61 -10.406   3.118   5.485
  425    HG   SER  61           HG       SER  61  -9.451   3.668   2.897
  426    H    PHE  62           HN       PHE  62  -7.282   0.740   4.833
  427    HA   PHE  62           HA       PHE  62  -5.703   1.436   2.438
  428    HB2  PHE  62           HB2      PHE  62  -4.869  -0.620   4.482
  429    HB3  PHE  62           HB1      PHE  62  -3.860   0.244   3.316
  430    HD1  PHE  62           HD1      PHE  62  -4.704  -0.005   6.671
  431    HD2  PHE  62           HD2      PHE  62  -3.931   2.911   3.672
  432    HE1  PHE  62           HE1      PHE  62  -4.165   1.642   8.415
  433    HE2  PHE  62           HE2      PHE  62  -3.395   4.562   5.410
  434    HZ   PHE  62           HZ       PHE  62  -3.507   3.930   7.785
  435    H    CYS  63           HN       CYS  63  -5.982   0.127   0.686
  436    HA   CYS  63           HA       CYS  63  -7.713  -2.141   0.810
  437    HB2  CYS  63           HB2      CYS  63  -7.363  -0.693  -1.245
  438    HB3  CYS  63           HB1      CYS  63  -5.801  -1.486  -1.439
  439    H    GLU  64           HN       GLU  64  -7.227  -4.186   1.278
  440    HA   GLU  64           HA       GLU  64  -4.478  -4.785   2.010
  441    HB2  GLU  64           HB2      GLU  64  -7.009  -6.402   2.313
  442    HB3  GLU  64           HB1      GLU  64  -5.436  -6.883   2.928
  443    HG2  GLU  64           HG2      GLU  64  -5.408  -4.900   4.375
  444    HG3  GLU  64           HG1      GLU  64  -6.998  -4.448   3.767
  445    H    MET  65           HN       MET  65  -5.864  -4.770  -0.845
  446    HA   MET  65           HA       MET  65  -4.632  -7.312  -1.690
  447    HB2  MET  65           HB2      MET  65  -6.900  -5.778  -2.966
  448    HB3  MET  65           HB1      MET  65  -6.103  -7.167  -3.702
  449    HG2  MET  65           HG2      MET  65  -6.821  -8.571  -1.841
  450    HG3  MET  65           HG1      MET  65  -7.611  -7.184  -1.093
  451    HE1  MET  65           HE1      MET  65  -9.010 -10.072  -1.867
  452    HE2  MET  65           HE2      MET  65 -10.584  -9.457  -2.365
  453    HE3  MET  65           HE3      MET  65  -9.778  -8.775  -0.952
  454    H    CYS  66           HN       CYS  66  -4.269  -3.954  -1.813
  455    HA   CYS  66           HA       CYS  66  -2.180  -4.143  -3.758
  456    HB2  CYS  66           HB2      CYS  66  -3.117  -2.795  -5.489
  457    HB3  CYS  66           HB1      CYS  66  -4.328  -4.021  -5.132
  458    HA   PRO  67           HA       PRO  67  -0.755  -0.585  -1.579
  459    HB2  PRO  67           HB2      PRO  67   0.174   0.768  -4.011
  460    HB3  PRO  67           HB1      PRO  67   1.118   0.047  -2.706
  461    HG2  PRO  67           HG2      PRO  67   1.028  -1.051  -5.154
  462    HG3  PRO  67           HG1      PRO  67   1.129  -2.038  -3.684
  463    HD2  PRO  67           HD2      PRO  67  -1.291  -1.392  -5.356
  464    HD3  PRO  67           HD1      PRO  67  -0.778  -2.959  -4.676
  465    H    SER  68           HN       SER  68  -3.429  -0.273  -3.393
  466    HA   SER  68           HA       SER  68  -3.546   2.617  -3.531
  467    HB2  SER  68           HB2      SER  68  -5.728   0.596  -4.105
  468    HB3  SER  68           HB1      SER  68  -5.724   2.302  -4.553
  469    HG   SER  68           HG       SER  68  -5.044   0.658  -6.197
  470    H    SER  69           HN       SER  69  -3.917   3.717  -1.741
  471    HA   SER  69           HA       SER  69  -5.928   2.689   0.144
  472    HB2  SER  69           HB2      SER  69  -4.682   4.189   1.816
  473    HB3  SER  69           HB1      SER  69  -3.862   2.711   1.313
  474    HG   SER  69           HG       SER  69  -3.426   5.185  -0.004
  475    H    PHE  70           HN       PHE  70  -7.135   4.466   1.314
  476    HA   PHE  70           HA       PHE  70  -7.473   6.833  -0.386
  477    HB2  PHE  70           HB2      PHE  70  -9.740   5.008   0.448
  478    HB3  PHE  70           HB1      PHE  70  -9.914   6.532  -0.422
  479    HD1  PHE  70           HD1      PHE  70  -8.720   6.700  -2.693
  480    HD2  PHE  70           HD2      PHE  70  -9.551   3.023  -0.726
  481    HE1  PHE  70           HE1      PHE  70  -8.518   5.513  -4.839
  482    HE2  PHE  70           HE2      PHE  70  -9.352   1.826  -2.867
  483    HZ   PHE  70           HZ       PHE  70  -8.833   3.049  -4.915
  484    H    CYS  71           HN       CYS  71  -8.510   8.588   0.622
  485    HA   CYS  71           HA       CYS  71  -8.144   8.725   3.473
  486    HB2  CYS  71           HB2      CYS  71  -8.743  11.061   3.251
  487    HB3  CYS  71           HB1      CYS  71  -7.644  10.636   1.943
  488    H    LYS  72           HN       LYS  72 -10.073   9.955   4.686
  489    HA   LYS  72           HA       LYS  72 -12.115   8.056   4.945
  490    HB2  LYS  72           HB2      LYS  72 -12.024  10.924   5.866
  491    HB3  LYS  72           HB1      LYS  72 -13.236   9.755   6.374
  492    HG2  LYS  72           HG2      LYS  72 -11.544   8.383   7.399
  493    HG3  LYS  72           HG1      LYS  72 -10.276   9.444   6.796
  494    HD2  LYS  72           HD2      LYS  72 -11.235  11.282   8.148
  495    HD3  LYS  72           HD1      LYS  72 -12.403  10.136   8.813
  496    HE2  LYS  72           HE2      LYS  72 -10.596   8.791   9.721
  497    HE3  LYS  72           HE1      LYS  72  -9.407   9.878   9.010
  498    HZ1  LYS  72           HZ1      LYS  72  -9.676  10.390  11.316
  499    HZ2  LYS  72           HZ2      LYS  72 -11.350  10.544  11.145
  500    HZ3  LYS  72           HZ3      LYS  72 -10.322  11.663  10.409
  501    H    GLN  73           HN       GLN  73 -11.918  10.950   3.003
  502    HA   GLN  73           HA       GLN  73 -14.685  11.017   2.292
  503    HB2  GLN  73           HB2      GLN  73 -12.225  12.348   1.220
  504    HB3  GLN  73           HB1      GLN  73 -13.766  12.500   0.390
  505    HG2  GLN  73           HG2      GLN  73 -13.240  13.288   3.246
  506    HG3  GLN  73           HG1      GLN  73 -13.293  14.396   1.875
  507   HE21  GLN  73          HE21      GLN  73 -15.127  12.456   4.069
  508   HE22  GLN  73          HE22      GLN  73 -16.690  13.036   3.610
  509    H    HIS  74           HN       HIS  74 -11.755   9.885   0.640
  510    HA   HIS  74           HA       HIS  74 -13.392   9.061  -1.625
  511    HB2  HIS  74           HB2      HIS  74 -10.382   9.136  -1.296
  512    HB3  HIS  74           HB1      HIS  74 -11.222   8.645  -2.770
  513    HD2  HIS  74           HD2      HIS  74 -13.409  11.045  -2.873
  514    HE1  HIS  74           HE1      HIS  74 -10.029  13.568  -2.810
  515    HE2  HIS  74           HE2      HIS  74 -12.538  13.476  -3.107
  516    H    ARG  75           HN       ARG  75 -12.900   7.611   1.143
  517    HA   ARG  75           HA       ARG  75 -12.201   4.993   0.081
  518    HB2  ARG  75           HB2      ARG  75 -12.257   4.186   2.335
  519    HB3  ARG  75           HB1      ARG  75 -11.382   5.711   2.331
  520    HG2  ARG  75           HG2      ARG  75 -13.389   6.851   3.140
  521    HG3  ARG  75           HG1      ARG  75 -14.245   5.310   3.164
  522    HD2  ARG  75           HD2      ARG  75 -12.660   4.449   4.804
  523    HD3  ARG  75           HD1      ARG  75 -11.781   5.974   4.775
  524    HE   ARG  75           HE       ARG  75 -14.557   6.321   5.386
  525   HH11  ARG  75          HH11      ARG  75 -11.476   5.406   6.787
  526   HH12  ARG  75          HH12      ARG  75 -11.900   5.932   8.384
  527   HH21  ARG  75          HH21      ARG  75 -15.102   7.035   7.489
  528   HH22  ARG  75          HH22      ARG  75 -13.952   6.868   8.778
  529    H    GLU  76           HN       GLU  76 -15.009   6.827   0.978
  530    HA   GLU  76           HA       GLU  76 -16.751   4.648   1.440
  531    HB2  GLU  76           HB2      GLU  76 -17.427   7.457   0.567
  532    HB3  GLU  76           HB1      GLU  76 -18.555   6.294   1.246
  533    HG2  GLU  76           HG2      GLU  76 -16.219   7.585   2.633
  534    HG3  GLU  76           HG1      GLU  76 -17.928   7.881   2.934
  535    H    GLY  77           HN       GLY  77 -17.644   3.289   0.017
  536    HA2  GLY  77           HA2      GLY  77 -18.596   2.535  -1.951
  537    HA3  GLY  77           HA1      GLY  77 -18.432   4.157  -2.612
  538    H    MET  78           HN       MET  78 -15.451   3.835  -1.709
  539    HA   MET  78           HA       MET  78 -14.628   2.628  -4.251
  540    HB2  MET  78           HB2      MET  78 -13.112   4.417  -2.331
  541    HB3  MET  78           HB1      MET  78 -12.428   3.728  -3.798
  542    HG2  MET  78           HG2      MET  78 -14.760   5.637  -3.669
  543    HG3  MET  78           HG1      MET  78 -13.109   6.044  -4.138
  544    HE1  MET  78           HE1      MET  78 -13.995   7.129  -6.390
  545    HE2  MET  78           HE2      MET  78 -15.646   6.740  -5.907
  546    HE3  MET  78           HE3      MET  78 -15.071   6.299  -7.515
  547    H    LEU  79           HN       LEU  79 -14.033   2.425  -0.767
  548    HA   LEU  79           HA       LEU  79 -12.684  -0.150  -1.262
  549    HB2  LEU  79           HB2      LEU  79 -11.390   1.733  -0.118
  550    HB3  LEU  79           HB1      LEU  79 -12.499   1.545   1.228
  551    HG   LEU  79           HG       LEU  79 -11.724  -0.802   1.493
  552   HD11  LEU  79          HD11      LEU  79  -9.651  -1.478   0.378
  553   HD12  LEU  79          HD12      LEU  79  -9.701  -0.010  -0.595
  554   HD13  LEU  79          HD13      LEU  79 -10.961  -1.229  -0.772
  555   HD21  LEU  79          HD21      LEU  79 -10.776   0.878   2.894
  556   HD22  LEU  79          HD22      LEU  79  -9.673   1.397   1.619
  557   HD23  LEU  79          HD23      LEU  79  -9.471  -0.187   2.369
  558    H    PHE  80           HN       PHE  80 -13.485  -1.947  -0.235
  559    HA   PHE  80           HA       PHE  80 -15.608  -1.681   1.733
  560    HB2  PHE  80           HB2      PHE  80 -17.116  -3.185   0.403
  561    HB3  PHE  80           HB1      PHE  80 -16.888  -1.599  -0.319
  562    HD1  PHE  80           HD1      PHE  80 -15.759  -1.347  -2.438
  563    HD2  PHE  80           HD2      PHE  80 -16.107  -5.182  -0.610
  564    HE1  PHE  80           HE1      PHE  80 -15.080  -2.416  -4.544
  565    HE2  PHE  80           HE2      PHE  80 -15.433  -6.243  -2.718
  566    HZ   PHE  80           HZ       PHE  80 -14.907  -4.854  -4.688
  567    H    ILE  81           HN       ILE  81 -16.248  -3.882   2.561
  568    HA   ILE  81           HA       ILE  81 -13.858  -5.465   2.920
  569    HB   ILE  81           HB       ILE  81 -16.610  -5.644   4.120
  570   HG12  ILE  81          HG12      ILE  81 -15.056  -3.885   4.939
  571   HG13  ILE  81          HG11      ILE  81 -15.481  -5.059   6.178
  572   HG21  ILE  81          HG21      ILE  81 -14.285  -7.507   4.538
  573   HG22  ILE  81          HG22      ILE  81 -15.861  -7.914   3.856
  574   HG23  ILE  81          HG23      ILE  81 -15.726  -7.452   5.553
  575   HD11  ILE  81          HD11      ILE  81 -13.145  -4.528   6.317
  576   HD12  ILE  81          HD12      ILE  81 -12.909  -4.946   4.625
  577   HD13  ILE  81          HD13      ILE  81 -13.337  -6.200   5.789
  578    H    SER  82           HN       SER  82 -13.332  -7.178   1.803
  579    HA   SER  82           HA       SER  82 -15.062  -8.246  -0.217
  580    HB2  SER  82           HB2      SER  82 -12.672  -8.091  -0.648
  581    HB3  SER  82           HB1      SER  82 -12.325  -9.102   0.754
  582    HG   SER  82           HG       SER  82 -13.394  -9.805  -1.747
  583    H    LYS  83           HN       LYS  83 -16.392  -9.934  -0.037
  584    HA   LYS  83           HA       LYS  83 -16.789 -11.146   2.521
  585    HB2  LYS  83           HB2      LYS  83 -18.015 -11.818  -0.154
  586    HB3  LYS  83           HB1      LYS  83 -18.557 -12.435   1.401
  587    HG2  LYS  83           HG2      LYS  83 -18.942 -10.039   2.082
  588    HG3  LYS  83           HG1      LYS  83 -18.677  -9.609   0.395
  589    HD2  LYS  83           HD2      LYS  83 -21.046  -9.821   0.826
  590    HD3  LYS  83           HD1      LYS  83 -20.518 -11.115  -0.249
  591    HE2  LYS  83           HE2      LYS  83 -22.073 -11.875   1.525
  592    HE3  LYS  83           HE1      LYS  83 -20.515 -12.695   1.560
  593    HZ1  LYS  83           HZ1      LYS  83 -19.829 -11.296   3.382
  594    HZ2  LYS  83           HZ2      LYS  83 -21.295 -12.041   3.775
  595    HZ3  LYS  83           HZ3      LYS  83 -21.272 -10.416   3.310
  596    H    LEU  84           HN       LEU  84 -14.551 -11.714   0.196
  597    HA   LEU  84           HA       LEU  84 -14.534 -14.593   0.292
  598    HB2  LEU  84           HB2      LEU  84 -12.453 -12.688  -0.763
  599    HB3  LEU  84           HB1      LEU  84 -12.532 -14.411  -1.078
  600    HG   LEU  84           HG       LEU  84 -14.541 -12.355  -2.008
  601   HD11  LEU  84          HD11      LEU  84 -12.434 -12.176  -3.195
  602   HD12  LEU  84          HD12      LEU  84 -13.674 -12.866  -4.242
  603   HD13  LEU  84          HD13      LEU  84 -12.449 -13.909  -3.521
  604   HD21  LEU  84          HD21      LEU  84 -14.377 -15.320  -2.535
  605   HD22  LEU  84          HD22      LEU  84 -15.492 -14.199  -3.315
  606   HD23  LEU  84          HD23      LEU  84 -15.609 -14.495  -1.582
  607    H    ASP  85           HN       ASP  85 -12.331 -12.019   1.403
  608    HA   ASP  85           HA       ASP  85 -11.184 -13.967   3.299
  609    HB2  ASP  85           HB2      ASP  85  -9.812 -11.636   1.945
  610    HB3  ASP  85           HB1      ASP  85  -9.078 -12.660   3.172
  611    H    GLY  86           HN       GLY  86 -13.138 -11.338   3.203
  612    HA2  GLY  86           HA2      GLY  86 -13.840  -9.849   4.811
  613    HA3  GLY  86           HA1      GLY  86 -12.794 -10.679   5.954
  614    H    ARG  87           HN       ARG  87 -11.329  -9.624   3.092
  615    HA   ARG  87           HA       ARG  87  -9.772  -7.659   4.572
  616    HB2  ARG  87           HB2      ARG  87  -9.411  -9.065   1.936
  617    HB3  ARG  87           HB1      ARG  87  -8.404  -7.704   2.402
  618    HG2  ARG  87           HG2      ARG  87  -7.649  -8.930   4.373
  619    HG3  ARG  87           HG1      ARG  87  -8.663 -10.299   3.903
  620    HD2  ARG  87           HD2      ARG  87  -7.405 -10.602   1.883
  621    HD3  ARG  87           HD1      ARG  87  -6.479  -9.134   2.189
  622    HE   ARG  87           HE       ARG  87  -5.932 -10.628   4.360
  623   HH11  ARG  87          HH11      ARG  87  -5.899 -11.392   0.945
  624   HH12  ARG  87          HH12      ARG  87  -4.552 -12.480   1.064
  625   HH21  ARG  87          HH21      ARG  87  -4.149 -12.063   4.526
  626   HH22  ARG  87          HH22      ARG  87  -3.555 -12.853   3.099
  627    H    LEU  88           HN       LEU  88  -9.445  -5.548   3.823
  628    HA   LEU  88           HA       LEU  88 -11.659  -4.332   2.509
  629    HB2  LEU  88           HB2      LEU  88  -8.930  -3.306   3.273
  630    HB3  LEU  88           HB1      LEU  88 -10.138  -2.309   2.494
  631    HG   LEU  88           HG       LEU  88 -10.672  -3.703   5.098
  632   HD11  LEU  88          HD11      LEU  88  -9.616  -0.908   4.690
  633   HD12  LEU  88          HD12      LEU  88  -8.697  -2.263   5.346
  634   HD13  LEU  88          HD13      LEU  88 -10.089  -1.632   6.226
  635   HD21  LEU  88          HD21      LEU  88 -12.360  -1.922   5.314
  636   HD22  LEU  88          HD22      LEU  88 -12.630  -2.928   3.892
  637   HD23  LEU  88          HD23      LEU  88 -11.913  -1.327   3.716
  638    H    SER  89           HN       SER  89 -12.038  -4.304   0.420
  639    HA   SER  89           HA       SER  89  -9.764  -4.518  -1.438
  640    HB2  SER  89           HB2      SER  89 -11.121  -6.612  -1.305
  641    HB3  SER  89           HB1      SER  89 -12.531  -5.692  -1.833
  642    HG   SER  89           HG       SER  89 -10.374  -6.621  -3.276
  643    H    CYS  90           HN       CYS  90  -9.724  -3.088  -3.084
  644    HA   CYS  90           HA       CYS  90 -11.639  -0.915  -2.996
  645    HB2  CYS  90           HB2      CYS  90 -10.080   0.287  -4.406
  646    HB3  CYS  90           HB1      CYS  90  -9.172  -0.495  -3.112
  647    H    THR  91           HN       THR  91 -12.548  -0.030  -4.995
  648    HA   THR  91           HA       THR  91 -13.873  -2.036  -6.518
  649    HB   THR  91           HB       THR  91 -14.734   0.005  -7.803
  650    HG1  THR  91           HG1      THR  91 -14.364   1.946  -6.310
  651   HG21  THR  91          HG21      THR  91 -16.002  -1.079  -6.020
  652   HG22  THR  91          HG22      THR  91 -16.206   0.671  -5.960
  653   HG23  THR  91          HG23      THR  91 -15.133  -0.130  -4.815
  654    H    GLU  92           HN       GLU  92 -10.809  -0.919  -6.817
  655    HA   GLU  92           HA       GLU  92 -10.708  -0.747  -9.699
  656    HB2  GLU  92           HB2      GLU  92  -8.546  -0.709  -7.589
  657    HB3  GLU  92           HB1      GLU  92  -8.242  -0.550  -9.313
  658    HG2  GLU  92           HG2      GLU  92  -9.958   1.315  -7.691
  659    HG3  GLU  92           HG1      GLU  92  -8.278   1.611  -8.133
  660    H    HIS  93           HN       HIS  93 -11.014  -3.230  -7.598
  661    HA   HIS  93           HA       HIS  93  -9.390  -5.078  -9.196
  662    HB2  HIS  93           HB2      HIS  93 -10.806  -5.541  -6.560
  663    HB3  HIS  93           HB1      HIS  93  -9.829  -6.730  -7.413
  664    HD1  HIS  93           HD1      HIS  93  -7.572  -4.431  -8.103
  665    HD2  HIS  93           HD2      HIS  93  -9.075  -5.595  -4.410
  666    HE1  HIS  93           HE1      HIS  93  -5.839  -3.770  -6.386
  667    H    ASP  94           HN       ASP  94 -11.273  -4.242 -10.684
  668    HA   ASP  94           HA       ASP  94 -13.687  -5.839 -10.420
  669    HB2  ASP  94           HB2      ASP  94 -13.825  -3.463 -11.110
  670    HB3  ASP  94           HB1      ASP  94 -12.878  -3.844 -12.541
  Start of MODEL   15
    1    H1   GLY   1           HT1      GLY   1   9.319 -12.342   5.871
    2    H2   GLY   1           HT2      GLY   1   9.546 -13.635   6.941
    3    H3   GLY   1           HT3      GLY   1  10.171 -12.109   7.316
    4    HA2  GLY   1           HA1      GLY   1   7.292 -12.779   7.085
    5    HA3  GLY   1           HA2      GLY   1   8.166 -12.573   8.596
    6    H    ALA   2           HN       ALA   2   6.046 -11.021   8.352
    7    HA   ALA   2           HA       ALA   2   7.061  -8.414   7.434
    8    HB1  ALA   2           HB1      ALA   2   4.197  -9.302   7.750
    9    HB2  ALA   2           HB2      ALA   2   5.075  -9.148   6.227
   10    HB3  ALA   2           HB3      ALA   2   4.735  -7.717   7.197
   11    H    MET   3           HN       MET   3   8.169  -8.610   9.635
   12    HA   MET   3           HA       MET   3   6.441  -7.846  11.853
   13    HB2  MET   3           HB2      MET   3   8.264  -9.400  12.323
   14    HB3  MET   3           HB1      MET   3   9.436  -8.257  11.689
   15    HG2  MET   3           HG2      MET   3   8.891  -6.704  13.507
   16    HG3  MET   3           HG1      MET   3   7.748  -7.884  14.153
   17    HE1  MET   3           HE1      MET   3   9.009  -7.701  16.508
   18    HE2  MET   3           HE2      MET   3  10.161  -6.557  15.816
   19    HE3  MET   3           HE3      MET   3  10.741  -7.965  16.706
   20    H    GLU   4           HN       GLU   4   9.505  -6.526  10.590
   21    HA   GLU   4           HA       GLU   4   8.406  -3.827  10.964
   22    HB2  GLU   4           HB2      GLU   4  10.588  -4.320  12.064
   23    HB3  GLU   4           HB1      GLU   4  11.276  -4.657  10.483
   24    HG2  GLU   4           HG2      GLU   4  10.630  -2.307   9.839
   25    HG3  GLU   4           HG1      GLU   4  10.285  -2.034  11.544
   26    H    ARG   5           HN       ARG   5  10.048  -5.930   8.680
   27    HA   ARG   5           HA       ARG   5   9.026  -4.313   6.462
   28    HB2  ARG   5           HB2      ARG   5  11.801  -5.510   6.564
   29    HB3  ARG   5           HB1      ARG   5  11.142  -4.481   5.300
   30    HG2  ARG   5           HG2      ARG   5  11.073  -2.602   6.828
   31    HG3  ARG   5           HG1      ARG   5  11.646  -3.628   8.145
   32    HD2  ARG   5           HD2      ARG   5  13.731  -4.019   6.913
   33    HD3  ARG   5           HD1      ARG   5  13.154  -2.971   5.619
   34    HE   ARG   5           HE       ARG   5  13.349  -1.863   8.323
   35   HH11  ARG   5          HH11      ARG   5  14.666  -2.090   5.081
   36   HH12  ARG   5          HH12      ARG   5  15.575  -0.618   5.207
   37   HH21  ARG   5          HH21      ARG   5  14.549   0.075   8.488
   38   HH22  ARG   5          HH22      ARG   5  15.512   0.609   7.148
   39    H    GLU   6           HN       GLU   6   7.975  -5.570   5.016
   40    HA   GLU   6           HA       GLU   6   7.836  -8.392   5.368
   41    HB2  GLU   6           HB2      GLU   6   5.990  -6.879   4.501
   42    HB3  GLU   6           HB1      GLU   6   6.866  -6.811   2.979
   43    HG2  GLU   6           HG2      GLU   6   6.493  -9.080   2.535
   44    HG3  GLU   6           HG1      GLU   6   6.030  -9.415   4.201
   45    H    ASP   7           HN       ASP   7   8.428 -10.008   3.753
   46    HA   ASP   7           HA       ASP   7  11.010  -9.316   2.552
   47    HB2  ASP   7           HB2      ASP   7  11.454 -11.743   2.559
   48    HB3  ASP   7           HB1      ASP   7  11.070 -11.140   4.168
   49    H    GLU   8           HN       GLU   8   8.350  -8.826   1.339
   50    HA   GLU   8           HA       GLU   8   8.897  -9.927  -1.271
   51    HB2  GLU   8           HB2      GLU   8   7.611 -11.725  -0.243
   52    HB3  GLU   8           HB1      GLU   8   6.369 -10.586   0.253
   53    HG2  GLU   8           HG2      GLU   8   5.822 -10.158  -2.081
   54    HG3  GLU   8           HG1      GLU   8   7.075 -11.293  -2.585
   55    H    CYS   9           HN       CYS   9   7.762  -8.787  -2.932
   56    HA   CYS   9           HA       CYS   9   6.982  -6.120  -2.130
   57    HB2  CYS   9           HB2      CYS   9   8.322  -6.385  -4.150
   58    HB3  CYS   9           HB1      CYS   9   7.100  -7.456  -4.837
   59    H    PHE  10           HN       PHE  10   4.982  -5.611  -1.630
   60    HA   PHE  10           HA       PHE  10   2.889  -7.499  -1.738
   61    HB2  PHE  10           HB2      PHE  10   2.997  -5.816   0.014
   62    HB3  PHE  10           HB1      PHE  10   2.852  -4.523  -1.170
   63    HD1  PHE  10           HD1      PHE  10   0.785  -3.565  -1.472
   64    HD2  PHE  10           HD2      PHE  10   1.023  -7.568  -0.042
   65    HE1  PHE  10           HE1      PHE  10  -1.658  -3.615  -1.210
   66    HE2  PHE  10           HE2      PHE  10  -1.419  -7.621   0.217
   67    HZ   PHE  10           HZ       PHE  10  -2.757  -5.613  -0.355
   68    H    SER  11           HN       SER  11   3.929  -5.026  -3.936
   69    HA   SER  11           HA       SER  11   1.479  -4.895  -5.414
   70    HB2  SER  11           HB2      SER  11   4.257  -4.013  -6.221
   71    HB3  SER  11           HB1      SER  11   2.751  -3.562  -7.020
   72    HG   SER  11           HG       SER  11   2.854  -1.938  -5.686
   73    H    CYS  12           HN       CYS  12   4.529  -6.673  -5.762
   74    HA   CYS  12           HA       CYS  12   3.585  -7.674  -8.356
   75    HB2  CYS  12           HB2      CYS  12   6.358  -7.823  -7.161
   76    HB3  CYS  12           HB1      CYS  12   5.902  -8.313  -8.792
   77    H    GLY  13           HN       GLY  13   4.317  -8.726  -5.124
   78    HA2  GLY  13           HA2      GLY  13   3.874 -10.799  -4.165
   79    HA3  GLY  13           HA1      GLY  13   3.438 -11.413  -5.757
   80    H    ASP  14           HN       ASP  14   6.347  -9.790  -5.881
   81    HA   ASP  14           HA       ASP  14   7.866 -12.286  -5.576
   82    HB2  ASP  14           HB2      ASP  14   7.926 -10.243  -7.766
   83    HB3  ASP  14           HB1      ASP  14   9.377 -11.168  -7.395
   84    H    ALA  15           HN       ALA  15  10.092 -12.046  -5.033
   85    HA   ALA  15           HA       ALA  15  10.592  -9.643  -3.434
   86    HB1  ALA  15           HB1      ALA  15  10.637 -11.738  -2.197
   87    HB2  ALA  15           HB2      ALA  15  12.228 -10.977  -2.219
   88    HB3  ALA  15           HB3      ALA  15  11.893 -12.354  -3.271
   89    H    GLY  16           HN       GLY  16  12.814  -8.846  -3.389
   90    HA2  GLY  16           HA2      GLY  16  14.802  -9.390  -5.224
   91    HA3  GLY  16           HA1      GLY  16  13.688  -8.289  -6.032
   92    H    GLN  17           HN       GLN  17  14.836  -6.389  -6.049
   93    HA   GLN  17           HA       GLN  17  16.138  -5.463  -3.642
   94    HB2  GLN  17           HB2      GLN  17  17.077  -4.886  -5.845
   95    HB3  GLN  17           HB1      GLN  17  15.610  -3.991  -6.231
   96    HG2  GLN  17           HG2      GLN  17  16.048  -2.469  -4.381
   97    HG3  GLN  17           HG1      GLN  17  17.509  -3.366  -3.982
   98   HE21  GLN  17          HE21      GLN  17  18.786  -1.556  -4.260
   99   HE22  GLN  17          HE22      GLN  17  19.154  -0.920  -5.825
  100    H    LEU  18           HN       LEU  18  14.548  -5.329  -2.129
  101    HA   LEU  18           HA       LEU  18  12.136  -3.820  -2.750
  102    HB2  LEU  18           HB2      LEU  18  12.873  -5.448  -0.319
  103    HB3  LEU  18           HB1      LEU  18  11.326  -4.661  -0.577
  104    HG   LEU  18           HG       LEU  18  12.390  -6.758  -2.451
  105   HD11  LEU  18          HD11      LEU  18  10.920  -8.342  -1.310
  106   HD12  LEU  18          HD12      LEU  18  10.559  -7.122  -0.093
  107   HD13  LEU  18          HD13      LEU  18  12.195  -7.756  -0.243
  108   HD21  LEU  18          HD21      LEU  18   9.638  -5.652  -1.961
  109   HD22  LEU  18          HD22      LEU  18  10.050  -6.924  -3.108
  110   HD23  LEU  18          HD23      LEU  18  10.669  -5.289  -3.342
  111    H    VAL  19           HN       VAL  19  11.769  -1.842  -2.072
  112    HA   VAL  19           HA       VAL  19  13.613  -0.622  -0.144
  113    HB   VAL  19           HB       VAL  19  13.508   0.614  -2.229
  114   HG11  VAL  19          HG11      VAL  19  10.527   0.747  -1.800
  115   HG12  VAL  19          HG12      VAL  19  11.373  -0.106  -3.092
  116   HG13  VAL  19          HG13      VAL  19  11.418   1.654  -3.023
  117   HG21  VAL  19          HG21      VAL  19  11.973   2.043  -0.065
  118   HG22  VAL  19          HG22      VAL  19  12.814   2.812  -1.411
  119   HG23  VAL  19          HG23      VAL  19  13.729   1.924  -0.194
  120    H    SER  20           HN       SER  20  12.876   0.012   1.807
  121    HA   SER  20           HA       SER  20  10.154  -0.893   2.390
  122    HB2  SER  20           HB2      SER  20  12.011  -2.093   3.492
  123    HB3  SER  20           HB1      SER  20  12.503  -0.586   4.264
  124    HG   SER  20           HG       SER  20  10.773  -0.652   5.550
  125    H    CYS  21           HN       CYS  21   8.862   0.186   3.839
  126    HA   CYS  21           HA       CYS  21   8.914   3.035   3.670
  127    HB2  CYS  21           HB2      CYS  21   6.876   1.461   3.815
  128    HB3  CYS  21           HB1      CYS  21   7.226   1.366   5.540
  129    H    LYS  22           HN       LYS  22   9.785   4.463   5.139
  130    HA   LYS  22           HA       LYS  22  11.189   3.262   7.399
  131    HB2  LYS  22           HB2      LYS  22  12.282   4.876   5.738
  132    HB3  LYS  22           HB1      LYS  22  11.364   6.145   6.537
  133    HG2  LYS  22           HG2      LYS  22  12.490   5.802   8.586
  134    HG3  LYS  22           HG1      LYS  22  13.198   4.290   8.026
  135    HD2  LYS  22           HD2      LYS  22  13.812   7.024   6.912
  136    HD3  LYS  22           HD1      LYS  22  14.825   6.133   8.047
  137    HE2  LYS  22           HE2      LYS  22  14.120   5.321   5.227
  138    HE3  LYS  22           HE1      LYS  22  15.689   5.876   5.804
  139    HZ1  LYS  22           HZ1      LYS  22  15.718   3.508   5.626
  140    HZ2  LYS  22           HZ2      LYS  22  14.313   3.353   6.548
  141    HZ3  LYS  22           HZ3      LYS  22  15.737   3.901   7.273
  142    H    LYS  23           HN       LYS  23   8.428   3.343   7.530
  143    HA   LYS  23           HA       LYS  23   7.980   5.238   9.735
  144    HB2  LYS  23           HB2      LYS  23   6.075   4.092   7.694
  145    HB3  LYS  23           HB1      LYS  23   5.502   4.772   9.208
  146    HG2  LYS  23           HG2      LYS  23   7.183   6.292   7.227
  147    HG3  LYS  23           HG1      LYS  23   5.419   6.318   7.252
  148    HD2  LYS  23           HD2      LYS  23   5.471   7.182   9.552
  149    HD3  LYS  23           HD1      LYS  23   7.237   7.164   9.510
  150    HE2  LYS  23           HE2      LYS  23   7.269   8.817   7.770
  151    HE3  LYS  23           HE1      LYS  23   5.516   8.742   7.603
  152    HZ1  LYS  23           HZ1      LYS  23   6.172  10.673   8.865
  153    HZ2  LYS  23           HZ2      LYS  23   6.997   9.710   9.984
  154    HZ3  LYS  23           HZ3      LYS  23   5.316   9.603   9.857
  155    HA   PRO  24           HA       PRO  24   8.214   1.353  12.077
  156    HB2  PRO  24           HB2      PRO  24   7.294   3.292  14.148
  157    HB3  PRO  24           HB1      PRO  24   8.582   2.086  14.235
  158    HG2  PRO  24           HG2      PRO  24   9.178   4.654  13.943
  159    HG3  PRO  24           HG1      PRO  24  10.085   3.409  13.060
  160    HD2  PRO  24           HD2      PRO  24   7.965   5.277  12.068
  161    HD3  PRO  24           HD1      PRO  24   9.428   4.693  11.247
  162    H    GLY  25           HN       GLY  25   6.610  -0.095  12.251
  163    HA2  GLY  25           HA2      GLY  25   4.437  -0.765  13.036
  164    HA3  GLY  25           HA1      GLY  25   3.873   0.881  12.750
  165    H    CYS  26           HN       CYS  26   5.475   0.757  10.144
  166    HA   CYS  26           HA       CYS  26   3.390  -0.559   8.557
  167    HB2  CYS  26           HB2      CYS  26   4.061   1.852   8.156
  168    HB3  CYS  26           HB1      CYS  26   5.630   1.252   7.625
  169    HA   PRO  27           HA       PRO  27   6.682  -3.605   8.006
  170    HB2  PRO  27           HB2      PRO  27   5.162  -5.779   8.071
  171    HB3  PRO  27           HB1      PRO  27   5.362  -4.803   9.535
  172    HG2  PRO  27           HG2      PRO  27   3.052  -4.950   7.647
  173    HG3  PRO  27           HG1      PRO  27   3.050  -4.762   9.415
  174    HD2  PRO  27           HD2      PRO  27   2.813  -2.691   7.494
  175    HD3  PRO  27           HD1      PRO  27   3.092  -2.496   9.240
  176    H    LYS  28           HN       LYS  28   5.323  -2.125   5.749
  177    HA   LYS  28           HA       LYS  28   5.058  -4.324   3.817
  178    HB2  LYS  28           HB2      LYS  28   3.410  -2.091   4.316
  179    HB3  LYS  28           HB1      LYS  28   4.175  -1.796   2.756
  180    HG2  LYS  28           HG2      LYS  28   2.007  -2.962   2.557
  181    HG3  LYS  28           HG1      LYS  28   3.353  -3.893   1.894
  182    HD2  LYS  28           HD2      LYS  28   3.433  -5.261   3.906
  183    HD3  LYS  28           HD1      LYS  28   2.161  -4.286   4.642
  184    HE2  LYS  28           HE2      LYS  28   0.569  -5.027   3.018
  185    HE3  LYS  28           HE1      LYS  28   1.824  -5.845   2.087
  186    HZ1  LYS  28           HZ1      LYS  28   0.978  -6.566   4.839
  187    HZ2  LYS  28           HZ2      LYS  28   2.157  -7.369   3.926
  188    HZ3  LYS  28           HZ3      LYS  28   0.536  -7.391   3.432
  189    H    VAL  29           HN       VAL  29   6.076  -4.245   1.823
  190    HA   VAL  29           HA       VAL  29   8.171  -2.233   1.463
  191    HB   VAL  29           HB       VAL  29   8.960  -4.346   2.738
  192   HG11  VAL  29          HG11      VAL  29   9.630  -6.219   1.372
  193   HG12  VAL  29          HG12      VAL  29   8.919  -5.455  -0.049
  194   HG13  VAL  29          HG13      VAL  29   7.885  -5.976   1.277
  195   HG21  VAL  29          HG21      VAL  29  11.118  -4.354   1.461
  196   HG22  VAL  29          HG22      VAL  29  10.551  -2.785   2.023
  197   HG23  VAL  29          HG23      VAL  29  10.352  -3.236   0.331
  198    H    TYR  30           HN       TYR  30   9.032  -2.237  -0.746
  199    HA   TYR  30           HA       TYR  30   7.459  -3.642  -2.768
  200    HB2  TYR  30           HB2      TYR  30   7.548  -0.612  -2.610
  201    HB3  TYR  30           HB1      TYR  30   6.836  -1.547  -3.919
  202    HD1  TYR  30           HD1      TYR  30   4.762  -2.904  -3.454
  203    HD2  TYR  30           HD2      TYR  30   6.325  -0.113  -0.651
  204    HE1  TYR  30           HE1      TYR  30   2.604  -2.882  -2.279
  205    HE2  TYR  30           HE2      TYR  30   4.174  -0.086   0.529
  206    HH   TYR  30           HH       TYR  30   1.743  -2.356  -0.001
  207    H    HIS  31           HN       HIS  31   8.332  -3.138  -4.983
  208    HA   HIS  31           HA       HIS  31  11.201  -2.621  -4.931
  209    HB2  HIS  31           HB2      HIS  31   9.445  -3.085  -7.358
  210    HB3  HIS  31           HB1      HIS  31  11.205  -3.137  -7.302
  211    HD2  HIS  31           HD2      HIS  31  12.009  -5.319  -5.354
  212    HE1  HIS  31           HE1      HIS  31   8.833  -7.667  -6.886
  213    HE2  HIS  31           HE2      HIS  31  11.128  -7.722  -5.802
  214    H    ALA  32           HN       ALA  32  12.143  -0.811  -5.871
  215    HA   ALA  32           HA       ALA  32  10.601   1.558  -5.858
  216    HB1  ALA  32           HB1      ALA  32  12.647   2.666  -6.596
  217    HB2  ALA  32           HB2      ALA  32  13.379   1.093  -6.915
  218    HB3  ALA  32           HB3      ALA  32  12.956   1.552  -5.265
  219    H    ASP  33           HN       ASP  33  11.610  -0.655  -8.367
  220    HA   ASP  33           HA       ASP  33  11.105   1.059 -10.561
  221    HB2  ASP  33           HB2      ASP  33  11.205  -0.963 -11.952
  222    HB3  ASP  33           HB1      ASP  33  12.540  -0.893 -10.808
  223    H    CYS  34           HN       CYS  34   9.037  -1.364  -8.944
  224    HA   CYS  34           HA       CYS  34   6.893  -0.979 -10.806
  225    HB2  CYS  34           HB2      CYS  34   5.544  -2.201  -8.971
  226    HB3  CYS  34           HB1      CYS  34   6.857  -3.088  -9.741
  227    H    LEU  35           HN       LEU  35   7.999   0.676  -8.037
  228    HA   LEU  35           HA       LEU  35   5.548   2.185  -7.689
  229    HB2  LEU  35           HB2      LEU  35   8.302   2.499  -6.505
  230    HB3  LEU  35           HB1      LEU  35   6.932   3.506  -6.088
  231    HG   LEU  35           HG       LEU  35   6.995   0.523  -5.658
  232   HD11  LEU  35          HD11      LEU  35   8.704   1.399  -4.286
  233   HD12  LEU  35          HD12      LEU  35   7.290   1.217  -3.247
  234   HD13  LEU  35          HD13      LEU  35   7.736   2.807  -3.860
  235   HD21  LEU  35          HD21      LEU  35   5.128   1.012  -4.129
  236   HD22  LEU  35          HD22      LEU  35   4.755   1.448  -5.796
  237   HD23  LEU  35          HD23      LEU  35   5.181   2.701  -4.631
  238    H    ASN  36           HN       ASN  36   7.903   2.131  -9.933
  239    HA   ASN  36           HA       ASN  36   8.646   3.491 -11.566
  240    HB2  ASN  36           HB2      ASN  36   6.191   5.028 -10.745
  241    HB3  ASN  36           HB1      ASN  36   7.217   5.534 -12.082
  242   HD21  ASN  36          HD21      ASN  36   4.914   3.208 -10.958
  243   HD22  ASN  36          HD22      ASN  36   4.656   2.420 -12.476
  244    H    LEU  37           HN       LEU  37   9.720   3.774  -8.918
  245    HA   LEU  37           HA       LEU  37  10.307   6.594  -8.618
  246    HB2  LEU  37           HB2      LEU  37  11.235   4.155  -7.113
  247    HB3  LEU  37           HB1      LEU  37  11.750   5.785  -6.730
  248    HG   LEU  37           HG       LEU  37   8.892   4.808  -6.622
  249   HD11  LEU  37          HD11      LEU  37  10.351   3.784  -4.907
  250   HD12  LEU  37          HD12      LEU  37   9.124   4.852  -4.226
  251   HD13  LEU  37          HD13      LEU  37  10.791   5.402  -4.362
  252   HD21  LEU  37          HD21      LEU  37   8.479   6.922  -5.450
  253   HD22  LEU  37          HD22      LEU  37   9.047   7.186  -7.097
  254   HD23  LEU  37          HD23      LEU  37  10.151   7.401  -5.738
  255    H    THR  38           HN       THR  38  11.356   6.941 -10.644
  256    HA   THR  38           HA       THR  38  13.706   5.589 -11.434
  257    HB   THR  38           HB       THR  38  12.975   8.461 -12.045
  258    HG1  THR  38           HG1      THR  38  12.146   6.040 -13.318
  259   HG21  THR  38          HG21      THR  38  14.199   8.063 -14.127
  260   HG22  THR  38          HG22      THR  38  14.579   6.427 -13.592
  261   HG23  THR  38          HG23      THR  38  15.233   7.812 -12.721
  262    H    LYS  39           HN       LYS  39  13.097   8.458  -9.482
  263    HA   LYS  39           HA       LYS  39  15.911   8.639  -8.740
  264    HB2  LYS  39           HB2      LYS  39  14.790  10.731  -9.236
  265    HB3  LYS  39           HB1      LYS  39  13.518  10.365  -8.080
  266    HG2  LYS  39           HG2      LYS  39  15.244  10.419  -6.278
  267    HG3  LYS  39           HG1      LYS  39  16.403  10.983  -7.485
  268    HD2  LYS  39           HD2      LYS  39  15.035  12.942  -7.919
  269    HD3  LYS  39           HD1      LYS  39  13.810  12.363  -6.792
  270    HE2  LYS  39           HE2      LYS  39  15.514  12.469  -4.983
  271    HE3  LYS  39           HE1      LYS  39  16.630  13.202  -6.134
  272    HZ1  LYS  39           HZ1      LYS  39  15.575  14.910  -4.858
  273    HZ2  LYS  39           HZ2      LYS  39  14.034  14.320  -5.228
  274    HZ3  LYS  39           HZ3      LYS  39  14.991  14.997  -6.442
  275    H    ARG  40           HN       ARG  40  16.547   7.341  -7.136
  276    HA   ARG  40           HA       ARG  40  14.779   6.057  -5.347
  277    HB2  ARG  40           HB2      ARG  40  16.953   5.099  -5.939
  278    HB3  ARG  40           HB1      ARG  40  17.771   6.445  -5.158
  279    HG2  ARG  40           HG2      ARG  40  16.790   5.752  -3.002
  280    HG3  ARG  40           HG1      ARG  40  16.068   4.358  -3.812
  281    HD2  ARG  40           HD2      ARG  40  18.279   3.554  -4.432
  282    HD3  ARG  40           HD1      ARG  40  19.018   4.966  -3.681
  283    HE   ARG  40           HE       ARG  40  17.379   3.406  -1.894
  284   HH11  ARG  40          HH11      ARG  40  20.582   3.844  -3.242
  285   HH12  ARG  40          HH12      ARG  40  21.381   3.008  -1.947
  286   HH21  ARG  40          HH21      ARG  40  18.428   2.302  -0.189
  287   HH22  ARG  40          HH22      ARG  40  20.157   2.147  -0.205
  288    HA   PRO  41           HA       PRO  41  14.221   9.581  -2.651
  289    HB2  PRO  41           HB2      PRO  41  12.715   8.290  -0.780
  290    HB3  PRO  41           HB1      PRO  41  12.064   8.886  -2.309
  291    HG2  PRO  41           HG2      PRO  41  12.928   6.120  -1.561
  292    HG3  PRO  41           HG1      PRO  41  11.497   6.639  -2.477
  293    HD2  PRO  41           HD2      PRO  41  13.700   5.664  -3.698
  294    HD3  PRO  41           HD1      PRO  41  12.705   6.935  -4.440
  295    H    ALA  42           HN       ALA  42  15.490  10.323  -1.081
  296    HA   ALA  42           HA       ALA  42  16.988   8.378   0.539
  297    HB1  ALA  42           HB1      ALA  42  18.673  10.137   0.811
  298    HB2  ALA  42           HB2      ALA  42  17.690  11.227  -0.166
  299    HB3  ALA  42           HB3      ALA  42  18.386   9.778  -0.890
  300    H    GLY  43           HN       GLY  43  16.950   8.525   2.757
  301    HA2  GLY  43           HA2      GLY  43  16.651   9.667   4.817
  302    HA3  GLY  43           HA1      GLY  43  15.684  10.872   3.977
  303    H    LYS  44           HN       LYS  44  13.802  10.806   5.074
  304    HA   LYS  44           HA       LYS  44  12.616   8.271   5.803
  305    HB2  LYS  44           HB2      LYS  44  11.535  11.086   6.028
  306    HB3  LYS  44           HB1      LYS  44  10.791   9.650   6.716
  307    HG2  LYS  44           HG2      LYS  44  12.699   9.327   8.174
  308    HG3  LYS  44           HG1      LYS  44  13.506  10.723   7.452
  309    HD2  LYS  44           HD2      LYS  44  11.712  12.178   8.242
  310    HD3  LYS  44           HD1      LYS  44  10.878  10.788   8.938
  311    HE2  LYS  44           HE2      LYS  44  13.599  11.818   9.739
  312    HE3  LYS  44           HE1      LYS  44  12.102  12.029  10.645
  313    HZ1  LYS  44           HZ1      LYS  44  11.963   9.642  10.928
  314    HZ2  LYS  44           HZ2      LYS  44  13.440  10.216  11.519
  315    HZ3  LYS  44           HZ3      LYS  44  13.379   9.422  10.030
  316    H    TRP  45           HN       TRP  45  11.804   7.129   4.165
  317    HA   TRP  45           HA       TRP  45  10.156   8.527   2.201
  318    HB2  TRP  45           HB2      TRP  45  11.877   7.173   1.167
  319    HB3  TRP  45           HB1      TRP  45  11.387   5.768   2.112
  320    HD1  TRP  45           HD1      TRP  45   9.864   8.111  -0.584
  321    HE1  TRP  45           HE1      TRP  45   8.261   6.720  -2.033
  322    HE3  TRP  45           HE3      TRP  45  10.212   3.649   1.883
  323    HZ2  TRP  45           HZ2      TRP  45   7.279   4.082  -2.123
  324    HZ3  TRP  45           HZ3      TRP  45   8.906   1.735   1.046
  325    HH2  TRP  45           HH2      TRP  45   7.469   1.948  -0.913
  326    H    GLU  46           HN       GLU  46   8.050   8.346   2.254
  327    HA   GLU  46           HA       GLU  46   6.840   6.369   4.056
  328    HB2  GLU  46           HB2      GLU  46   5.622   8.874   2.872
  329    HB3  GLU  46           HB1      GLU  46   4.915   7.851   4.116
  330    HG2  GLU  46           HG2      GLU  46   6.641   8.471   5.672
  331    HG3  GLU  46           HG1      GLU  46   7.477   9.395   4.426
  332    H    CYS  47           HN       CYS  47   5.737   4.718   3.156
  333    HA   CYS  47           HA       CYS  47   5.675   4.351   0.364
  334    HB2  CYS  47           HB2      CYS  47   4.504   2.312   0.779
  335    HB3  CYS  47           HB1      CYS  47   5.626   2.518   2.117
  336    HA   PRO  48           HA       PRO  48   2.082   6.646  -0.838
  337    HB2  PRO  48           HB2      PRO  48   1.309   5.164  -3.012
  338    HB3  PRO  48           HB1      PRO  48   2.649   6.320  -3.036
  339    HG2  PRO  48           HG2      PRO  48   2.713   3.344  -2.738
  340    HG3  PRO  48           HG1      PRO  48   3.774   4.397  -3.693
  341    HD2  PRO  48           HD2      PRO  48   4.524   3.394  -1.307
  342    HD3  PRO  48           HD1      PRO  48   5.036   5.009  -1.843
  343    H    TRP  49           HN       TRP  49   2.027   3.581   0.414
  344    HA   TRP  49           HA       TRP  49  -0.760   2.954   0.162
  345    HB2  TRP  49           HB2      TRP  49   1.318   1.418   0.683
  346    HB3  TRP  49           HB1      TRP  49   1.021   1.910   2.350
  347    HD1  TRP  49           HD1      TRP  49  -1.676   0.937  -0.265
  348    HE1  TRP  49           HE1      TRP  49  -2.952  -1.115   0.640
  349    HE3  TRP  49           HE3      TRP  49   1.032   0.107   4.002
  350    HZ2  TRP  49           HZ2      TRP  49  -2.832  -2.834   2.870
  351    HZ3  TRP  49           HZ3      TRP  49   0.382  -1.756   5.467
  352    HH2  TRP  49           HH2      TRP  49  -1.515  -3.202   4.909
  353    H    HIS  50           HN       HIS  50   0.949   5.267   1.869
  354    HA   HIS  50           HA       HIS  50  -1.125   5.501   3.939
  355    HB2  HIS  50           HB2      HIS  50   1.442   7.083   3.640
  356    HB3  HIS  50           HB1      HIS  50   0.312   7.172   4.991
  357    HD1  HIS  50           HD1      HIS  50   0.064   3.924   5.162
  358    HD2  HIS  50           HD2      HIS  50   3.506   6.251   5.226
  359    HE1  HIS  50           HE1      HIS  50   1.847   2.532   6.307
  360    H    GLN  51           HN       GLN  51  -0.778   6.361   0.860
  361    HA   GLN  51           HA       GLN  51  -1.837   9.077   1.264
  362    HB2  GLN  51           HB2      GLN  51  -0.201   8.085  -1.081
  363    HB3  GLN  51           HB1      GLN  51  -0.845   9.708  -0.884
  364    HG2  GLN  51           HG2      GLN  51   1.081   8.467   1.049
  365    HG3  GLN  51           HG1      GLN  51   1.591   9.407  -0.350
  366   HE21  GLN  51          HE21      GLN  51  -0.050   9.526   2.747
  367   HE22  GLN  51          HE22      GLN  51   0.066  11.238   2.947
  368    H    CYS  52           HN       CYS  52  -3.741   9.509   0.431
  369    HA   CYS  52           HA       CYS  52  -5.402   7.492  -0.629
  370    HB2  CYS  52           HB2      CYS  52  -6.244   9.426   0.619
  371    HB3  CYS  52           HB1      CYS  52  -5.696  10.502  -0.655
  372    H    ASP  53           HN       ASP  53  -5.522   6.728  -2.647
  373    HA   ASP  53           HA       ASP  53  -3.822   7.659  -4.697
  374    HB2  ASP  53           HB2      ASP  53  -4.691   5.314  -4.485
  375    HB3  ASP  53           HB1      ASP  53  -6.260   5.892  -5.037
  376    H    VAL  54           HN       VAL  54  -6.884   8.758  -3.690
  377    HA   VAL  54           HA       VAL  54  -7.589   9.847  -6.287
  378    HB   VAL  54           HB       VAL  54  -9.009  10.132  -3.637
  379   HG11  VAL  54          HG11      VAL  54 -10.900  10.927  -4.983
  380   HG12  VAL  54          HG12      VAL  54  -9.876  10.891  -6.419
  381   HG13  VAL  54          HG13      VAL  54  -9.503  11.999  -5.098
  382   HG21  VAL  54          HG21      VAL  54 -10.625   8.557  -4.614
  383   HG22  VAL  54          HG22      VAL  54  -9.024   7.839  -4.421
  384   HG23  VAL  54          HG23      VAL  54  -9.570   8.365  -6.013
  385    H    CYS  55           HN       CYS  55  -6.905  11.192  -3.022
  386    HA   CYS  55           HA       CYS  55  -6.541  13.782  -4.367
  387    HB2  CYS  55           HB2      CYS  55  -7.081  14.865  -2.244
  388    HB3  CYS  55           HB1      CYS  55  -8.371  13.799  -2.778
  389    H    GLY  56           HN       GLY  56  -4.750  11.357  -2.923
  390    HA2  GLY  56           HA2      GLY  56  -2.458  11.272  -2.662
  391    HA3  GLY  56           HA1      GLY  56  -2.388  12.989  -3.026
  392    H    LYS  57           HN       LYS  57  -4.611  12.716  -0.630
  393    HA   LYS  57           HA       LYS  57  -2.656  13.652   1.303
  394    HB2  LYS  57           HB2      LYS  57  -5.669  13.632   1.487
  395    HB3  LYS  57           HB1      LYS  57  -4.564  14.494   2.552
  396    HG2  LYS  57           HG2      LYS  57  -3.843  15.905   0.744
  397    HG3  LYS  57           HG1      LYS  57  -4.816  14.990  -0.406
  398    HD2  LYS  57           HD2      LYS  57  -6.844  15.679   0.839
  399    HD3  LYS  57           HD1      LYS  57  -5.826  16.681   1.878
  400    HE2  LYS  57           HE2      LYS  57  -5.079  17.949  -0.075
  401    HE3  LYS  57           HE1      LYS  57  -6.083  16.946  -1.118
  402    HZ1  LYS  57           HZ1      LYS  57  -8.032  17.754   0.124
  403    HZ2  LYS  57           HZ2      LYS  57  -7.200  18.995  -0.668
  404    HZ3  LYS  57           HZ3      LYS  57  -7.028  18.797   1.002
  405    H    GLU  58           HN       GLU  58  -3.676  13.101   3.702
  406    HA   GLU  58           HA       GLU  58  -2.623  10.628   4.314
  407    HB2  GLU  58           HB2      GLU  58  -2.998  12.469   5.928
  408    HB3  GLU  58           HB1      GLU  58  -4.721  12.128   5.889
  409    HG2  GLU  58           HG2      GLU  58  -3.884  11.118   7.843
  410    HG3  GLU  58           HG1      GLU  58  -4.170   9.812   6.694
  411    H    ALA  59           HN       ALA  59  -3.281   8.638   3.970
  412    HA   ALA  59           HA       ALA  59  -6.034   8.069   3.276
  413    HB1  ALA  59           HB1      ALA  59  -3.597   6.312   3.456
  414    HB2  ALA  59           HB2      ALA  59  -4.345   6.963   1.995
  415    HB3  ALA  59           HB3      ALA  59  -5.196   5.757   2.958
  416    H    ALA  60           HN       ALA  60  -7.479   6.910   4.473
  417    HA   ALA  60           HA       ALA  60  -6.763   6.499   7.290
  418    HB1  ALA  60           HB1      ALA  60  -9.144   6.637   7.762
  419    HB2  ALA  60           HB2      ALA  60  -9.491   6.780   6.039
  420    HB3  ALA  60           HB3      ALA  60  -8.604   8.058   6.869
  421    H    SER  61           HN       SER  61  -8.037   4.945   4.437
  422    HA   SER  61           HA       SER  61  -7.865   2.378   5.849
  423    HB2  SER  61           HB2      SER  61  -9.752   1.588   4.411
  424    HB3  SER  61           HB1      SER  61 -10.213   2.864   5.533
  425    HG   SER  61           HG       SER  61  -9.332   3.779   3.100
  426    H    PHE  62           HN       PHE  62  -7.175   0.599   4.552
  427    HA   PHE  62           HA       PHE  62  -5.596   1.470   2.219
  428    HB2  PHE  62           HB2      PHE  62  -4.662  -0.622   4.182
  429    HB3  PHE  62           HB1      PHE  62  -3.696   0.327   3.046
  430    HD1  PHE  62           HD1      PHE  62  -4.888   0.043   6.393
  431    HD2  PHE  62           HD2      PHE  62  -3.490   2.845   3.515
  432    HE1  PHE  62           HE1      PHE  62  -4.417   1.653   8.190
  433    HE2  PHE  62           HE2      PHE  62  -3.024   4.457   5.307
  434    HZ   PHE  62           HZ       PHE  62  -3.483   3.863   7.648
  435    H    CYS  63           HN       CYS  63  -5.834   0.179   0.420
  436    HA   CYS  63           HA       CYS  63  -7.491  -2.148   0.533
  437    HB2  CYS  63           HB2      CYS  63  -7.252  -0.697  -1.520
  438    HB3  CYS  63           HB1      CYS  63  -5.643  -1.382  -1.738
  439    H    GLU  64           HN       GLU  64  -6.938  -4.183   0.940
  440    HA   GLU  64           HA       GLU  64  -4.135  -4.697   1.566
  441    HB2  GLU  64           HB2      GLU  64  -6.581  -6.394   2.094
  442    HB3  GLU  64           HB1      GLU  64  -4.960  -6.708   2.699
  443    HG2  GLU  64           HG2      GLU  64  -5.039  -4.605   3.967
  444    HG3  GLU  64           HG1      GLU  64  -6.676  -4.327   3.379
  445    H    MET  65           HN       MET  65  -5.425  -4.650  -1.216
  446    HA   MET  65           HA       MET  65  -4.177  -7.184  -2.059
  447    HB2  MET  65           HB2      MET  65  -6.549  -5.845  -3.367
  448    HB3  MET  65           HB1      MET  65  -5.739  -7.302  -3.940
  449    HG2  MET  65           HG2      MET  65  -6.409  -8.492  -1.931
  450    HG3  MET  65           HG1      MET  65  -7.180  -7.035  -1.306
  451    HE1  MET  65           HE1      MET  65  -8.642  -9.337  -5.036
  452    HE2  MET  65           HE2      MET  65  -7.235  -9.799  -4.079
  453    HE3  MET  65           HE3      MET  65  -7.197  -8.328  -5.050
  454    H    CYS  66           HN       CYS  66  -4.049  -3.830  -2.204
  455    HA   CYS  66           HA       CYS  66  -1.998  -3.851  -4.183
  456    HB2  CYS  66           HB2      CYS  66  -3.046  -2.626  -5.922
  457    HB3  CYS  66           HB1      CYS  66  -4.206  -3.885  -5.513
  458    HA   PRO  67           HA       PRO  67  -0.827  -0.228  -1.993
  459    HB2  PRO  67           HB2      PRO  67  -0.118   1.247  -4.437
  460    HB3  PRO  67           HB1      PRO  67   0.931   0.632  -3.155
  461    HG2  PRO  67           HG2      PRO  67   0.913  -0.475  -5.593
  462    HG3  PRO  67           HG1      PRO  67   1.116  -1.454  -4.128
  463    HD2  PRO  67           HD2      PRO  67  -1.372  -1.020  -5.771
  464    HD3  PRO  67           HD1      PRO  67  -0.711  -2.539  -5.110
  465    H    SER  68           HN       SER  68  -3.568  -0.053  -3.817
  466    HA   SER  68           HA       SER  68  -3.929   2.799  -3.865
  467    HB2  SER  68           HB2      SER  68  -5.959   0.585  -4.261
  468    HB3  SER  68           HB1      SER  68  -6.234   2.297  -4.579
  469    HG   SER  68           HG       SER  68  -5.688   1.280  -6.500
  470    H    SER  69           HN       SER  69  -3.871   3.699  -1.892
  471    HA   SER  69           HA       SER  69  -5.772   2.726   0.123
  472    HB2  SER  69           HB2      SER  69  -4.395   4.455   1.542
  473    HB3  SER  69           HB1      SER  69  -3.700   2.870   1.187
  474    HG   SER  69           HG       SER  69  -3.205   5.304  -0.210
  475    H    PHE  70           HN       PHE  70  -7.052   4.399   1.280
  476    HA   PHE  70           HA       PHE  70  -7.508   6.800  -0.346
  477    HB2  PHE  70           HB2      PHE  70  -9.702   4.897   0.508
  478    HB3  PHE  70           HB1      PHE  70  -9.938   6.443  -0.310
  479    HD1  PHE  70           HD1      PHE  70  -8.751   6.695  -2.603
  480    HD2  PHE  70           HD2      PHE  70  -9.576   2.963  -0.739
  481    HE1  PHE  70           HE1      PHE  70  -8.587   5.576  -4.787
  482    HE2  PHE  70           HE2      PHE  70  -9.416   1.833  -2.922
  483    HZ   PHE  70           HZ       PHE  70  -8.928   3.124  -4.942
  484    H    CYS  71           HN       CYS  71  -8.504   8.512   0.726
  485    HA   CYS  71           HA       CYS  71  -8.050   8.608   3.567
  486    HB2  CYS  71           HB2      CYS  71  -8.628  10.950   3.384
  487    HB3  CYS  71           HB1      CYS  71  -7.592  10.527   2.025
  488    H    LYS  72           HN       LYS  72  -9.932   9.884   4.825
  489    HA   LYS  72           HA       LYS  72 -11.989   8.075   5.266
  490    HB2  LYS  72           HB2      LYS  72 -11.936  11.043   5.809
  491    HB3  LYS  72           HB1      LYS  72 -13.141   9.939   6.451
  492    HG2  LYS  72           HG2      LYS  72 -11.402   8.734   7.661
  493    HG3  LYS  72           HG1      LYS  72 -10.185   9.824   7.000
  494    HD2  LYS  72           HD2      LYS  72 -11.251  11.711   8.111
  495    HD3  LYS  72           HD1      LYS  72 -12.506  10.643   8.742
  496    HE2  LYS  72           HE2      LYS  72  -9.572  10.335   9.323
  497    HE3  LYS  72           HE1      LYS  72 -10.695  11.199  10.370
  498    HZ1  LYS  72           HZ1      LYS  72 -10.373   8.946  11.134
  499    HZ2  LYS  72           HZ2      LYS  72 -10.845   8.326   9.636
  500    HZ3  LYS  72           HZ3      LYS  72 -11.967   9.140  10.602
  501    H    GLN  73           HN       GLN  73 -11.942  10.950   3.222
  502    HA   GLN  73           HA       GLN  73 -14.719  10.867   2.608
  503    HB2  GLN  73           HB2      GLN  73 -13.346  12.927   2.534
  504    HB3  GLN  73           HB1      GLN  73 -12.491  12.274   1.144
  505    HG2  GLN  73           HG2      GLN  73 -14.578  12.226  -0.121
  506    HG3  GLN  73           HG1      GLN  73 -15.434  12.889   1.267
  507   HE21  GLN  73          HE21      GLN  73 -12.212  13.891   0.338
  508   HE22  GLN  73          HE22      GLN  73 -12.651  15.484  -0.171
  509    H    HIS  74           HN       HIS  74 -11.799   9.810   0.903
  510    HA   HIS  74           HA       HIS  74 -13.456   9.040  -1.374
  511    HB2  HIS  74           HB2      HIS  74 -10.446   9.155  -1.097
  512    HB3  HIS  74           HB1      HIS  74 -11.308   8.699  -2.568
  513    HD2  HIS  74           HD2      HIS  74 -13.537  11.109  -2.470
  514    HE1  HIS  74           HE1      HIS  74 -10.132  13.606  -2.545
  515    HE2  HIS  74           HE2      HIS  74 -12.616  13.470  -3.020
  516    H    ARG  75           HN       ARG  75 -12.889   7.503   1.344
  517    HA   ARG  75           HA       ARG  75 -12.171   4.957   0.125
  518    HB2  ARG  75           HB2      ARG  75 -12.086   4.034   2.317
  519    HB3  ARG  75           HB1      ARG  75 -11.260   5.581   2.360
  520    HG2  ARG  75           HG2      ARG  75 -13.284   6.592   3.343
  521    HG3  ARG  75           HG1      ARG  75 -14.030   4.990   3.373
  522    HD2  ARG  75           HD2      ARG  75 -12.103   4.202   4.742
  523    HD3  ARG  75           HD1      ARG  75 -11.535   5.863   4.826
  524    HE   ARG  75           HE       ARG  75 -13.904   6.239   5.823
  525   HH11  ARG  75          HH11      ARG  75 -11.836   3.471   6.348
  526   HH12  ARG  75          HH12      ARG  75 -12.472   3.123   7.920
  527   HH21  ARG  75          HH21      ARG  75 -14.761   5.785   7.897
  528   HH22  ARG  75          HH22      ARG  75 -14.148   4.432   8.796
  529    H    GLU  76           HN       GLU  76 -14.954   6.689   1.235
  530    HA   GLU  76           HA       GLU  76 -16.697   4.469   1.450
  531    HB2  GLU  76           HB2      GLU  76 -17.265   7.397   0.996
  532    HB3  GLU  76           HB1      GLU  76 -18.507   6.190   1.300
  533    HG2  GLU  76           HG2      GLU  76 -17.350   5.684   3.464
  534    HG3  GLU  76           HG1      GLU  76 -16.318   7.078   3.161
  535    H    GLY  77           HN       GLY  77 -17.616   3.293  -0.105
  536    HA2  GLY  77           HA2      GLY  77 -18.521   2.750  -2.162
  537    HA3  GLY  77           HA1      GLY  77 -18.288   4.419  -2.667
  538    H    MET  78           HN       MET  78 -15.369   3.578  -1.525
  539    HA   MET  78           HA       MET  78 -14.473   2.652  -4.176
  540    HB2  MET  78           HB2      MET  78 -12.986   4.326  -2.138
  541    HB3  MET  78           HB1      MET  78 -12.293   3.725  -3.638
  542    HG2  MET  78           HG2      MET  78 -14.637   5.614  -3.434
  543    HG3  MET  78           HG1      MET  78 -12.974   6.082  -3.788
  544    HE1  MET  78           HE1      MET  78 -13.717   7.345  -5.964
  545    HE2  MET  78           HE2      MET  78 -15.397   6.934  -5.619
  546    HE3  MET  78           HE3      MET  78 -14.727   6.634  -7.223
  547    H    LEU  79           HN       LEU  79 -14.000   2.278  -0.682
  548    HA   LEU  79           HA       LEU  79 -12.589  -0.246  -1.253
  549    HB2  LEU  79           HB2      LEU  79 -11.293   1.635  -0.110
  550    HB3  LEU  79           HB1      LEU  79 -12.362   1.407   1.262
  551    HG   LEU  79           HG       LEU  79 -11.542  -0.932   1.466
  552   HD11  LEU  79          HD11      LEU  79  -9.484  -1.552   0.288
  553   HD12  LEU  79          HD12      LEU  79  -9.586  -0.069  -0.660
  554   HD13  LEU  79          HD13      LEU  79 -10.827  -1.308  -0.825
  555   HD21  LEU  79          HD21      LEU  79  -9.281  -0.289   2.296
  556   HD22  LEU  79          HD22      LEU  79 -10.588   0.743   2.870
  557   HD23  LEU  79          HD23      LEU  79  -9.528   1.302   1.577
  558    H    PHE  80           HN       PHE  80 -13.322  -2.079  -0.234
  559    HA   PHE  80           HA       PHE  80 -15.355  -1.891   1.831
  560    HB2  PHE  80           HB2      PHE  80 -16.903  -3.402   0.563
  561    HB3  PHE  80           HB1      PHE  80 -16.746  -1.799  -0.139
  562    HD1  PHE  80           HD1      PHE  80 -15.739  -1.484  -2.307
  563    HD2  PHE  80           HD2      PHE  80 -15.927  -5.360  -0.544
  564    HE1  PHE  80           HE1      PHE  80 -15.145  -2.498  -4.463
  565    HE2  PHE  80           HE2      PHE  80 -15.340  -6.368  -2.702
  566    HZ   PHE  80           HZ       PHE  80 -14.999  -4.929  -4.685
  567    H    ILE  81           HN       ILE  81 -15.934  -4.131   2.642
  568    HA   ILE  81           HA       ILE  81 -13.482  -5.645   2.906
  569    HB   ILE  81           HB       ILE  81 -16.186  -5.967   4.199
  570   HG12  ILE  81          HG12      ILE  81 -14.793  -4.058   4.949
  571   HG13  ILE  81          HG11      ILE  81 -15.048  -5.249   6.218
  572   HG21  ILE  81          HG21      ILE  81 -15.239  -8.168   3.964
  573   HG22  ILE  81          HG22      ILE  81 -15.109  -7.655   5.647
  574   HG23  ILE  81          HG23      ILE  81 -13.692  -7.606   4.597
  575   HD11  ILE  81          HD11      ILE  81 -12.564  -4.865   4.574
  576   HD12  ILE  81          HD12      ILE  81 -12.810  -6.175   5.727
  577   HD13  ILE  81          HD13      ILE  81 -12.783  -4.503   6.284
  578    H    SER  82           HN       SER  82 -12.979  -7.412   1.843
  579    HA   SER  82           HA       SER  82 -14.670  -8.529  -0.156
  580    HB2  SER  82           HB2      SER  82 -12.301  -8.589  -0.521
  581    HB3  SER  82           HB1      SER  82 -12.022  -9.391   1.022
  582    HG   SER  82           HG       SER  82 -12.222 -10.579  -1.227
  583    H    LYS  83           HN       LYS  83 -16.192 -10.022   0.100
  584    HA   LYS  83           HA       LYS  83 -16.690 -11.227   2.645
  585    HB2  LYS  83           HB2      LYS  83 -17.910 -11.757  -0.066
  586    HB3  LYS  83           HB1      LYS  83 -18.507 -12.414   1.452
  587    HG2  LYS  83           HG2      LYS  83 -19.027 -10.204   2.257
  588    HG3  LYS  83           HG1      LYS  83 -18.320  -9.479   0.812
  589    HD2  LYS  83           HD2      LYS  83 -20.011 -10.595  -0.567
  590    HD3  LYS  83           HD1      LYS  83 -20.718 -11.307   0.884
  591    HE2  LYS  83           HE2      LYS  83 -20.490  -8.355   0.317
  592    HE3  LYS  83           HE1      LYS  83 -21.947  -9.323   0.118
  593    HZ1  LYS  83           HZ1      LYS  83 -21.927  -8.101   2.215
  594    HZ2  LYS  83           HZ2      LYS  83 -20.518  -8.906   2.689
  595    HZ3  LYS  83           HZ3      LYS  83 -21.953  -9.772   2.478
  596    H    LEU  84           HN       LEU  84 -14.583 -11.917   0.172
  597    HA   LEU  84           HA       LEU  84 -14.699 -14.795   0.372
  598    HB2  LEU  84           HB2      LEU  84 -12.725 -13.021  -1.053
  599    HB3  LEU  84           HB1      LEU  84 -12.868 -14.758  -1.244
  600    HG   LEU  84           HG       LEU  84 -14.963 -12.725  -2.029
  601   HD11  LEU  84          HD11      LEU  84 -13.135 -14.418  -3.724
  602   HD12  LEU  84          HD12      LEU  84 -12.998 -12.677  -3.478
  603   HD13  LEU  84          HD13      LEU  84 -14.401 -13.342  -4.315
  604   HD21  LEU  84          HD21      LEU  84 -15.987 -14.812  -1.341
  605   HD22  LEU  84          HD22      LEU  84 -14.885 -15.720  -2.377
  606   HD23  LEU  84          HD23      LEU  84 -16.080 -14.639  -3.093
  607    H    ASP  85           HN       ASP  85 -12.263 -12.275   1.095
  608    HA   ASP  85           HA       ASP  85 -10.963 -14.248   2.860
  609    HB2  ASP  85           HB2      ASP  85  -9.608 -12.059   1.282
  610    HB3  ASP  85           HB1      ASP  85  -8.809 -13.220   2.337
  611    H    GLY  86           HN       GLY  86 -12.656 -11.409   2.931
  612    HA2  GLY  86           HA2      GLY  86 -13.121 -10.054   4.743
  613    HA3  GLY  86           HA1      GLY  86 -11.891 -10.910   5.657
  614    H    ARG  87           HN       ARG  87 -10.637  -9.886   2.754
  615    HA   ARG  87           HA       ARG  87  -9.031  -7.876   4.041
  616    HB2  ARG  87           HB2      ARG  87  -9.093  -9.018   1.255
  617    HB3  ARG  87           HB1      ARG  87  -8.052  -7.671   1.688
  618    HG2  ARG  87           HG2      ARG  87  -6.984  -9.077   3.403
  619    HG3  ARG  87           HG1      ARG  87  -7.990 -10.431   2.882
  620    HD2  ARG  87           HD2      ARG  87  -7.017 -10.358   0.680
  621    HD3  ARG  87           HD1      ARG  87  -6.099  -8.914   1.097
  622    HE   ARG  87           HE       ARG  87  -4.983 -10.427   2.803
  623   HH11  ARG  87          HH11      ARG  87  -6.294 -11.651  -0.214
  624   HH12  ARG  87          HH12      ARG  87  -5.121 -12.921  -0.351
  625   HH21  ARG  87          HH21      ARG  87  -3.430 -12.088   2.607
  626   HH22  ARG  87          HH22      ARG  87  -3.495 -13.170   1.252
  627    H    LEU  88           HN       LEU  88  -8.986  -5.705   3.593
  628    HA   LEU  88           HA       LEU  88 -11.285  -4.449   2.474
  629    HB2  LEU  88           HB2      LEU  88  -8.537  -3.438   3.191
  630    HB3  LEU  88           HB1      LEU  88  -9.775  -2.403   2.519
  631    HG   LEU  88           HG       LEU  88 -10.344  -3.966   5.003
  632   HD11  LEU  88          HD11      LEU  88  -9.522  -2.105   6.343
  633   HD12  LEU  88          HD12      LEU  88  -8.949  -1.293   4.887
  634   HD13  LEU  88          HD13      LEU  88  -8.212  -2.812   5.396
  635   HD21  LEU  88          HD21      LEU  88 -11.280  -1.304   3.932
  636   HD22  LEU  88          HD22      LEU  88 -11.824  -2.057   5.431
  637   HD23  LEU  88          HD23      LEU  88 -12.183  -2.818   3.883
  638    H    SER  89           HN       SER  89 -11.749  -4.499   0.374
  639    HA   SER  89           HA       SER  89  -9.508  -4.545  -1.536
  640    HB2  SER  89           HB2      SER  89 -10.782  -6.691  -1.390
  641    HB3  SER  89           HB1      SER  89 -12.229  -5.824  -1.902
  642    HG   SER  89           HG       SER  89 -10.032  -6.647  -3.364
  643    H    CYS  90           HN       CYS  90  -9.540  -3.097  -3.154
  644    HA   CYS  90           HA       CYS  90 -11.461  -0.947  -2.973
  645    HB2  CYS  90           HB2      CYS  90  -9.993   0.256  -4.472
  646    HB3  CYS  90           HB1      CYS  90  -8.998  -0.548  -3.257
  647    H    THR  91           HN       THR  91 -12.259   0.012  -5.096
  648    HA   THR  91           HA       THR  91 -13.750  -2.028  -6.469
  649    HB   THR  91           HB       THR  91 -14.743  -0.027  -7.668
  650    HG1  THR  91           HG1      THR  91 -14.152   1.903  -6.074
  651   HG21  THR  91          HG21      THR  91 -14.833  -0.095  -4.652
  652   HG22  THR  91          HG22      THR  91 -15.845  -1.030  -5.752
  653   HG23  THR  91          HG23      THR  91 -16.003   0.724  -5.686
  654    H    GLU  92           HN       GLU  92 -10.733  -1.511  -6.897
  655    HA   GLU  92           HA       GLU  92 -10.798  -1.187  -9.815
  656    HB2  GLU  92           HB2      GLU  92  -8.378  -1.262  -8.009
  657    HB3  GLU  92           HB1      GLU  92  -8.418  -0.799  -9.703
  658    HG2  GLU  92           HG2      GLU  92  -9.853   1.139  -9.064
  659    HG3  GLU  92           HG1      GLU  92  -9.599   0.695  -7.379
  660    H    HIS  93           HN       HIS  93 -11.379  -3.592  -7.918
  661    HA   HIS  93           HA       HIS  93  -9.553  -5.488  -9.244
  662    HB2  HIS  93           HB2      HIS  93 -10.730  -5.696  -6.465
  663    HB3  HIS  93           HB1      HIS  93  -9.781  -6.947  -7.252
  664    HD1  HIS  93           HD1      HIS  93  -7.753  -4.490  -8.351
  665    HD2  HIS  93           HD2      HIS  93  -8.759  -5.658  -4.493
  666    HE1  HIS  93           HE1      HIS  93  -5.885  -3.678  -6.847
  667    H    ASP  94           HN       ASP  94 -11.428  -5.278 -10.823
  668    HA   ASP  94           HA       ASP  94 -13.704  -6.938 -10.092
  669    HB2  ASP  94           HB2      ASP  94 -13.042  -5.330 -12.556
  670    HB3  ASP  94           HB1      ASP  94 -14.378  -6.475 -12.524