*HEADER    STRUCTURAL PROTEIN                      08-AUG-16   5LO4              
*TITLE     ENGINEERING PROTEIN STABILITY WITH ATOMIC PRECISION                   
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: PPA-CH3;                                                   
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: STREPTOCOCCUS MUTANS;                           
*SOURCE   4 ORGANISM_TAXID: 1309                                                 
*KEYWDS    DESIGNED MINIPROTEIN CH-PI INTERACTIONS WEAK NON-COVALENT             
*KEYWDS   2 INTERACTIONS IN PROTIENS SOLUTION STRUCTURE PROLINE-TYROSINE         
*KEYWDS   3 INTERACTIONS, STRUCTURAL PROTEIN                                     
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    E.G.BAKER,C.WILLIAMS,K.L.HUDSON,G.G.BARTLETT,J.W.HEAL,R.B.SESSIONS,   
*AUTHOR   2 M.P.CRUMP,D.N.WOOLFSON                                               
*REVDAT   1   17-MAY-17 5LO4    0                                                
# Restraints file 1: unambig_V50WwTK.tbl
assign ( resid    1 and name  HB1) ( resid    1 and name   HA) 2.427 0.736 0.736 weight 1.000 ! spec=Expt_16, no=3, id=703, vol=2.575259e+07
assign ( resid    1 and name  HD1) ( resid    1 and name  HG2) 3.158 1.247 1.247 weight 1.000 ! spec=Expt_16, no=4, id=704, vol=1.868819e+07
assign ( resid    7 and name   HA) ( resid    8 and name  HD1) 2.263 0.640 0.640 weight 1.000 ! spec=Expt_16, no=19, id=715, vol=3.177661e+07
assign ( resid    5 and name  HD2) ( resid    4 and name   HA) 2.499 0.781 0.781 weight 1.000 ! spec=Expt_16, no=21, id=717, vol=1.572856e+07
assign ( resid   34 and name  HB2) ( resid   34 and name   HA) 2.609 0.851 0.851 weight 1.000 ! spec=Expt_16, no=28, id=723, vol=1.941592e+07
assign ( resid    1 and name   HA) ( resid    2 and name  HD2) 2.374 0.704 0.704 weight 1.000 ! spec=Expt_16, no=36, id=725, vol=2.772030e+07
assign ( resid   28 and name  HG1) ( resid   28 and name   HA) 2.951 1.089 1.089 weight 1.000 ! spec=Expt_16, no=40, id=727, vol=8.962163e+06
assign ( resid   31 and name   HA) ( resid   34 and name  HB1) 3.017 1.138 1.138 weight 1.000 ! spec=Expt_16, no=65, id=747, vol=8.750502e+06
assign ( resid    6 and name   HA) ( resid    6 and name HG22) 2.058 0.529 0.529 weight 1.000 ! spec=Expt_16, no=91, id=763, vol=5.891882e+07
    or ( resid    6 and name   HA) ( resid    6 and name HG21)
    or ( resid    6 and name   HA) ( resid    6 and name HG23)
assign ( resid    6 and name   HB) ( resid    6 and name HG22) 1.951 0.476 0.476 weight 1.000 ! spec=Expt_16, no=92, id=764, vol=7.134292e+07
    or ( resid    6 and name   HB) ( resid    6 and name HG21)
    or ( resid    6 and name   HB) ( resid    6 and name HG23)
assign ( resid    3 and name   HB) ( resid    3 and name HG23) 1.980 0.490 0.490 weight 1.000 ! spec=Expt_16, no=94, id=766, vol=6.549973e+07
    or ( resid    3 and name   HB) ( resid    3 and name HG22)
    or ( resid    3 and name   HB) ( resid    3 and name HG21)
assign ( resid   17 and name   HA) ( resid   17 and name HD21) 3.094 1.197 1.197 weight 1.000 ! spec=Expt_16, no=96, id=768, vol=1.832170e+07
    or ( resid   17 and name   HA) ( resid   17 and name HD23)
    or ( resid   17 and name   HA) ( resid   17 and name HD22)
assign ( resid   17 and name   HA) ( resid   17 and name HD13) 2.083 0.542 0.542 weight 1.000 ! spec=Expt_16, no=97, id=769, vol=5.076728e+07
    or ( resid   17 and name   HA) ( resid   17 and name HD12)
    or ( resid   17 and name   HA) ( resid   17 and name HD11)
assign ( resid   31 and name HD12) ( resid   31 and name   HA) 3.355 0.949 0.949 weight 1.000 ! spec=Expt_16, no=98, id=770, vol=1.393420e+07
    or ( resid   31 and name HD11) ( resid   31 and name   HA)
    or ( resid   31 and name HD13) ( resid   31 and name   HA)
assign ( resid   24 and name   HA) ( resid   24 and name HD12) 2.104 0.554 0.554 weight 1.000 ! spec=Expt_16, no=105, id=772, vol=4.311644e+07
    or ( resid   24 and name   HA) ( resid   24 and name HD13)
    or ( resid   24 and name   HA) ( resid   24 and name HD11)
assign ( resid   24 and name HD21) ( resid   21 and name   HA) 2.915 1.062 1.062 weight 1.000 ! spec=Expt_16, no=106, id=773, vol=1.374846e+07
    or ( resid   24 and name HD22) ( resid   21 and name   HA)
    or ( resid   24 and name HD23) ( resid   21 and name   HA)
assign ( resid   31 and name HD22) ( resid   31 and name   HA) 2.107 0.555 0.555 weight 1.000 ! spec=Expt_16, no=108, id=774, vol=3.982807e+07
    or ( resid   31 and name HD21) ( resid   31 and name   HA)
    or ( resid   31 and name HD23) ( resid   31 and name   HA)
assign ( resid   28 and name   HA) ( resid   31 and name HD22) 3.249 1.319 1.319 weight 1.000 ! spec=Expt_16, no=109, id=775, vol=1.250956e+07
    or ( resid   28 and name   HA) ( resid   31 and name HD21)
    or ( resid   28 and name   HA) ( resid   31 and name HD23)
assign ( resid   30 and name   HA) ( resid   33 and name  HB1) 2.606 0.849 0.849 weight 1.000 ! spec=Expt_16, no=115, id=779, vol=3.440224e+07
assign ( resid   18 and name   HA) ( resid   21 and name  HG2) 2.921 1.067 1.067 weight 1.000 ! spec=Expt_16, no=117, id=781, vol=1.295398e+07
assign ( resid   34 and name   HA) ( resid    0 and name  HA1) 3.920 1.066 1.066 weight 1.000 ! spec=Expt_16, no=142, id=798, vol=1.322526e+07
    or ( resid   34 and name   HA) ( resid    0 and name  HA2)
    or ( resid   34 and name   HA) ( resid    0 and name  HA3)
assign ( resid   26 and name  HB1) ( resid   26 and name   HA) 2.986 1.115 1.115 weight 1.000 ! spec=Expt_16, no=146, id=802, vol=2.013402e+07
assign ( resid    8 and name  HB1) ( resid    8 and name   HA) 3.046 1.160 1.160 weight 1.000 ! spec=Expt_16, no=157, id=812, vol=1.520128e+07
assign ( resid   22 and name  HB2) ( resid   22 and name   HA) 1.869 0.437 0.437 weight 1.000 ! spec=Expt_16, no=177, id=816, vol=9.988494e+07
    or ( resid   22 and name  HB1) ( resid   22 and name   HA)
    or ( resid   22 and name  HB3) ( resid   22 and name   HA)
assign ( resid   18 and name   HA) ( resid   18 and name  HB2) 1.861 0.433 0.433 weight 1.000 ! spec=Expt_16, no=180, id=817, vol=9.570978e+07
    or ( resid   18 and name   HA) ( resid   18 and name  HB1)
    or ( resid   18 and name   HA) ( resid   18 and name  HB3)
assign ( resid   25 and name   HA) ( resid   25 and name  HB3) 2.050 0.525 0.525 weight 1.000 ! spec=Expt_16, no=181, id=818, vol=9.848733e+07
    or ( resid   25 and name   HA) ( resid   25 and name  HB2)
    or ( resid   25 and name   HA) ( resid   25 and name  HB1)
assign ( resid   32 and name   HA) ( resid   32 and name  HB3) 1.990 0.495 0.495 weight 1.000 ! spec=Expt_16, no=183, id=820, vol=1.208529e+08
    or ( resid   32 and name   HA) ( resid   32 and name  HB2)
    or ( resid   32 and name   HA) ( resid   32 and name  HB1)
assign ( resid   15 and name  HG2) ( resid   15 and name  HB1) 3.009 1.132 1.132 weight 1.000 ! spec=Expt_16, no=195, id=826, vol=2.110735e+07
assign ( resid   28 and name  HG1) ( resid   28 and name  HB2) 2.944 1.083 1.083 weight 1.000 ! spec=Expt_16, no=200, id=829, vol=9.928761e+06
assign ( resid    8 and name  HD2) ( resid    8 and name  HG1) 2.872 1.031 1.031 weight 1.000 ! spec=Expt_16, no=210, id=838, vol=2.182554e+07
assign ( resid    2 and name  HG2) ( resid    2 and name  HD1) 2.579 0.831 0.831 weight 1.000 ! spec=Expt_16, no=213, id=840, vol=1.204626e+07
assign ( resid   34 and name  HB2) ( resid    2 and name  HG2) 2.888 0.774 0.774 weight 1.000 ! spec=Expt_16, no=214, id=841, vol=2.157259e+07
assign ( resid   27 and name  HB1) ( resid   24 and name HD12) 3.029 1.147 1.147 weight 1.000 ! spec=Expt_16, no=258, id=858, vol=6.985569e+06
    or ( resid   27 and name  HB1) ( resid   24 and name HD13)
    or ( resid   27 and name  HB1) ( resid   24 and name HD11)
assign ( resid    5 and name  HD2) ( resid   24 and name HD12) 2.681 0.899 0.899 weight 1.000 ! spec=Expt_16, no=259, id=859, vol=8.759126e+06
    or ( resid    5 and name  HD2) ( resid   24 and name HD13)
    or ( resid    5 and name  HD2) ( resid   24 and name HD11)
assign ( resid    5 and name  HD2) ( resid    4 and name  HG1) 2.838 1.007 1.007 weight 1.000 ! spec=Expt_16, no=266, id=862, vol=8.604082e+06
assign ( resid    3 and name   HA) ( resid    3 and name HG23) 2.159 0.583 0.583 weight 1.000 ! spec=Expt_16, no=269, id=864, vol=4.742548e+07
    or ( resid    3 and name   HA) ( resid    3 and name HG22)
    or ( resid    3 and name   HA) ( resid    3 and name HG21)
assign ( resid   14 and name  HD2) ( resid   13 and name HG22) 3.343 1.397 1.397 weight 1.000 ! spec=Expt_16, no=275, id=868, vol=1.271608e+07
    or ( resid   14 and name  HD2) ( resid   13 and name HG21)
    or ( resid   14 and name  HD2) ( resid   13 and name HG23)
assign ( resid   17 and name  HB2) ( resid   17 and name HD21) 2.860 0.639 0.639 weight 1.000 ! spec=Expt_16, no=280, id=871, vol=2.498644e+07
    or ( resid   17 and name  HB2) ( resid   17 and name HD23)
    or ( resid   17 and name  HB2) ( resid   17 and name HD22)
assign ( resid   17 and name  HB2) ( resid   17 and name HD13) 3.022 1.141 1.141 weight 1.000 ! spec=Expt_16, no=281, id=872, vol=1.613853e+07
    or ( resid   17 and name  HB2) ( resid   17 and name HD12)
    or ( resid   17 and name  HB2) ( resid   17 and name HD11)
assign ( resid    4 and name  HG2) ( resid   27 and name H33A) 2.578 0.831 0.831 weight 1.000 ! spec=Expt_16, no=283, id=873, vol=2.158429e+07
    or ( resid    4 and name  HG2) ( resid   27 and name H33B)
    or ( resid    4 and name  HG2) ( resid   27 and name  H33)
assign ( resid   31 and name HD22) ( resid   31 and name  HB2) 2.708 0.917 0.917 weight 1.000 ! spec=Expt_16, no=297, id=881, vol=3.073691e+07
    or ( resid   31 and name HD21) ( resid   31 and name  HB2)
    or ( resid   31 and name HD23) ( resid   31 and name  HB2)
assign ( resid   31 and name HD22) ( resid   31 and name  HB1) 2.004 0.502 0.502 weight 1.000 ! spec=Expt_16, no=302, id=884, vol=4.937368e+07
    or ( resid   31 and name HD21) ( resid   31 and name  HB1)
    or ( resid   31 and name HD23) ( resid   31 and name  HB1)
assign ( resid   31 and name HD22) ( resid   31 and name HD12) 1.826 0.417 0.417 weight 1.000 ! spec=Expt_16, no=306, id=887, vol=2.242612e+07
    or ( resid   31 and name HD22) ( resid   31 and name HD11)
    or ( resid   31 and name HD22) ( resid   31 and name HD13)
    or ( resid   31 and name HD21) ( resid   31 and name HD12)
    or ( resid   31 and name HD21) ( resid   31 and name HD11)
    or ( resid   31 and name HD21) ( resid   31 and name HD13)
    or ( resid   31 and name HD23) ( resid   31 and name HD12)
    or ( resid   31 and name HD23) ( resid   31 and name HD11)
    or ( resid   31 and name HD23) ( resid   31 and name HD13)
assign ( resid   31 and name HD12) ( resid   31 and name  HB2) 2.310 0.667 0.667 weight 1.000 ! spec=Expt_16, no=312, id=890, vol=2.352739e+07
    or ( resid   31 and name HD11) ( resid   31 and name  HB2)
    or ( resid   31 and name HD13) ( resid   31 and name  HB2)
assign ( resid   24 and name  HB1) ( resid   24 and name  HB2) 2.108 0.556 0.556 weight 1.000 ! spec=Expt_16, no=317, id=893, vol=3.080303e+07
assign ( resid    5 and name  HG2) ( resid    4 and name  HG1) 3.311 0.988 0.988 weight 1.000 ! spec=Expt_16, no=334, id=901, vol=1.256993e+07
assign ( resid   17 and name  HB1) ( resid   17 and name HD21) 2.878 0.540 0.540 weight 1.000 ! spec=Expt_16, no=335, id=902, vol=5.936763e+07
    or ( resid   17 and name  HB1) ( resid   17 and name HD23)
    or ( resid   17 and name  HB1) ( resid   17 and name HD22)
assign ( resid   17 and name  HB1) ( resid   17 and name HD13) 2.217 0.459 0.459 weight 1.000 ! spec=Expt_16, no=336, id=903, vol=5.332939e+07
    or ( resid   17 and name  HB1) ( resid   17 and name HD12)
    or ( resid   17 and name  HB1) ( resid   17 and name HD11)
assign ( resid    8 and name  HB1) ( resid   12 and name  HB2) 2.301 0.662 0.662 weight 1.000 ! spec=Expt_16, no=339, id=906, vol=2.741593e+07
    or ( resid    8 and name  HB1) ( resid   12 and name  HB1)
    or ( resid    8 and name  HB1) ( resid   12 and name  HB3)
assign ( resid   28 and name  HB2) ( resid   28 and name  HB1) 2.124 0.564 0.564 weight 1.000 ! spec=Expt_16, no=343, id=910, vol=3.522812e+07
assign ( resid    0 and name  HA1) ( resid    1 and name  HD1) 2.889 0.694 0.694 weight 1.000 ! spec=Expt_16, no=351, id=918, vol=5.235071e+07
    or ( resid    0 and name  HA2) ( resid    1 and name  HD1)
    or ( resid    0 and name  HA3) ( resid    1 and name  HD1)
assign ( resid    0 and name  HA1) ( resid    1 and name  HD2) 2.873 0.637 0.8537 weight 1.000 ! spec=Expt_16, no=352, id=919, vol=3.951150e+07
    or ( resid    0 and name  HA2) ( resid    1 and name  HD2)
    or ( resid    0 and name  HA3) ( resid    1 and name  HD2)
assign ( resid    1 and name  HD2) ( resid    1 and name  HG2) 2.648 0.877 0.877 weight 1.000 ! spec=Expt_16, no=355, id=922, vol=2.023480e+07
assign ( resid    7 and name   HA) ( resid   20 and name H33A) 3.090 0.714 0.714 weight 1.000 ! spec=Expt_16, no=356, id=923, vol=1.337495e+07
    or ( resid    7 and name   HA) ( resid   20 and name  H33)
    or ( resid    7 and name   HA) ( resid   20 and name H33B)
assign ( resid   20 and name H33A) ( resid    8 and name  HD1) 3.011 0.852 0.852 weight 1.000 ! spec=Expt_16, no=358, id=925, vol=2.033697e+07
    or ( resid   20 and name  H33) ( resid    8 and name  HD1)
    or ( resid   20 and name H33B) ( resid    8 and name  HD1)
assign ( resid   24 and name  HB2) ( resid   21 and name   HA) 3.928 1.928 1.928 weight 1.000 ! spec=Expt_16, no=374, id=941, vol=6.645045e+06
assign ( resid    5 and name  HD2) ( resid    5 and name  HG2) 2.176 0.592 0.592 weight 1.000 ! spec=Expt_16, no=379, id=946, vol=3.435141e+07
assign ( resid   14 and name  HD1) ( resid   13 and name HG22) 3.479 1.513 1.513 weight 1.000 ! spec=Expt_16, no=392, id=957, vol=1.183162e+07
    or ( resid   14 and name  HD1) ( resid   13 and name HG21)
    or ( resid   14 and name  HD1) ( resid   13 and name HG23)
assign ( resid   13 and name   HA) ( resid   14 and name  HD2) 2.047 0.524 0.524 weight 1.000 ! spec=Expt_16, no=398, id=963, vol=5.067268e+07
assign ( resid   10 and name   HA) ( resid   10 and name  HB1) 2.545 0.810 0.810 weight 1.000 ! spec=Expt_16, no=403, id=968, vol=3.412014e+07
assign ( resid   10 and name   HA) ( resid   10 and name  HB2) 3.105 1.205 1.205 weight 1.000 ! spec=Expt_16, no=405, id=969, vol=1.904119e+07
assign ( resid    2 and name  HB1) ( resid    2 and name   HA) 3.100 1.201 1.201 weight 1.000 ! spec=Expt_16, no=428, id=979, vol=1.111632e+07
assign ( resid   13 and name HG22) ( resid   13 and name   HB) 2.030 0.515 0.515 weight 1.000 ! spec=Expt_16, no=433, id=983, vol=4.339851e+07
    or ( resid   13 and name HG21) ( resid   13 and name   HB)
    or ( resid   13 and name HG23) ( resid   13 and name   HB)
assign ( resid   13 and name   HA) ( resid   13 and name HG22) 2.033 0.517 0.517 weight 1.000 ! spec=Expt_16, no=434, id=984, vol=5.597702e+07
    or ( resid   13 and name   HA) ( resid   13 and name HG21)
    or ( resid   13 and name   HA) ( resid   13 and name HG23)
assign ( resid   12 and name   HA) ( resid   12 and name  HB2) 1.910 0.456 0.456 weight 1.000 ! spec=Expt_16, no=441, id=991, vol=4.932061e+07
    or ( resid   12 and name   HA) ( resid   12 and name  HB1)
    or ( resid   12 and name   HA) ( resid   12 and name  HB3)
assign ( resid   14 and name  HD1) ( resid   14 and name  HG2) 2.687 0.902 0.902 weight 1.000 ! spec=Expt_16, no=454, id=1002, vol=1.447758e+07
assign ( resid   26 and name   HN) ( resid   25 and name   HN) 2.679 0.897 0.897 weight 1.000 ! spec=Expt_16, no=467, id=1015, vol=1.939016e+07
assign ( resid   16 and name   HN) ( resid   17 and name   HN) 2.504 0.784 0.784 weight 1.000 ! spec=Expt_16, no=477, id=1024, vol=2.254821e+07
assign ( resid   24 and name   HN) ( resid   23 and name   HN) 2.883 1.039 1.039 weight 1.000 ! spec=Expt_16, no=486, id=1033, vol=1.355556e+07
assign ( resid   28 and name HE21) ( resid   28 and name HE22) 1.562 0.305 0.305 weight 1.000 ! spec=Expt_16, no=492, id=1039, vol=2.169702e+08
assign ( resid   21 and name HE22) ( resid   21 and name HE21) 1.544 0.298 0.298 weight 1.000 ! spec=Expt_16, no=494, id=1041, vol=2.087050e+08
assign ( resid   11 and name HD22) ( resid   11 and name HD21) 1.597 0.319 0.319 weight 1.000 ! spec=Expt_16, no=495, id=1042, vol=1.876932e+08
assign ( resid   33 and name   HA) ( resid   34 and name   HN) 3.386 1.433 1.433 weight 1.000 ! spec=Expt_16, no=524, id=1068, vol=1.009894e+07
assign ( resid    3 and name   HA) ( resid   27 and name  HE2) 3.328 1.146 1.146 weight 1.000 ! spec=Expt_16, no=529, id=1073, vol=1.226302e+07
    or ( resid    3 and name   HA) ( resid   27 and name  HE1)
assign ( resid   12 and name   HN) ( resid   12 and name   HA) 2.659 0.884 0.884 weight 1.000 ! spec=Expt_16, no=538, id=1076, vol=1.943525e+07
assign ( resid   21 and name   HN) ( resid   18 and name   HA) 3.028 1.146 1.146 weight 1.000 ! spec=Expt_16, no=539, id=1077, vol=1.260631e+07
assign ( resid   34 and name  HD1) ( resid   34 and name   HA) 2.567 0.824 0.824 weight 1.000 ! spec=Expt_16, no=547, id=1083, vol=2.785378e+07
assign ( resid   20 and name   HN) ( resid   17 and name   HA) 3.028 1.146 1.146 weight 1.000 ! spec=Expt_16, no=557, id=1091, vol=1.125069e+07
assign ( resid   32 and name   HA) ( resid   33 and name   HN) 3.214 1.291 1.291 weight 1.000 ! spec=Expt_16, no=564, id=1097, vol=1.020815e+07
assign ( resid   27 and name  HD1) ( resid   24 and name   HA) 3.674 1.687 1.687 weight 1.000 ! spec=Expt_16, no=575, id=1107, vol=7.182219e+06
assign ( resid   20 and name  HD2) ( resid   21 and name   HA) 4.093 2.094 2.094 weight 1.000 ! spec=Expt_16, no=585, id=1115, vol=6.483596e+06
assign ( resid   24 and name   HN) ( resid   21 and name   HA) 3.428 1.469 1.469 weight 1.000 ! spec=Expt_16, no=586, id=1116, vol=7.626473e+06
assign ( resid   20 and name  HD2) ( resid   20 and name  HB1) 2.259 0.638 0.638 weight 1.000 ! spec=Expt_16, no=602, id=1130, vol=4.392434e+07
assign ( resid   21 and name   HN) ( resid   21 and name  HG2) 2.309 0.667 0.667 weight 1.000 ! spec=Expt_16, no=647, id=1164, vol=3.022458e+07
assign ( resid    6 and name   HN) ( resid    5 and name  HB2) 3.168 1.255 1.255 weight 1.000 ! spec=Expt_16, no=667, id=1172, vol=9.910376e+06
assign ( resid    3 and name   HN) ( resid    2 and name  HB2) 4.179 2.183 2.183 weight 1.000 ! spec=Expt_16, no=669, id=1173, vol=7.023290e+06
assign ( resid    7 and name   HN) ( resid   20 and name H33A) 3.211 1.289 1.289 weight 1.000 ! spec=Expt_16, no=674, id=1177, vol=1.064821e+07
    or ( resid    7 and name   HN) ( resid   20 and name  H33)
    or ( resid    7 and name   HN) ( resid   20 and name H33B)
assign ( resid   22 and name   HN) ( resid   21 and name  HB2) 3.205 1.284 1.284 weight 1.000 ! spec=Expt_16, no=681, id=1182, vol=1.010607e+07
assign ( resid    9 and name   HN) ( resid    8 and name  HB2) 3.560 1.584 1.584 weight 1.000 ! spec=Expt_16, no=685, id=1186, vol=8.938334e+06
assign ( resid   27 and name  HD2) ( resid    2 and name  HB1) 2.562 0.820 0.820 weight 1.000 ! spec=Expt_16, no=691, id=1190, vol=1.893451e+07
assign ( resid   27 and name  HE1) ( resid    2 and name  HB1) 3.377 0.964 0.964 weight 1.000 ! spec=Expt_16, no=692, id=1191, vol=1.469448e+07
    or ( resid   27 and name  HE2) ( resid    2 and name  HB1)
assign ( resid    3 and name   HN) ( resid    2 and name  HB1) 3.580 1.602 1.602 weight 1.000 ! spec=Expt_16, no=693, id=1192, vol=6.131418e+06
assign ( resid   34 and name  HD1) ( resid    0 and name  HA1) 2.552 0.814 0.814 weight 1.000 ! spec=Expt_16, no=695, id=1194, vol=2.271683e+07
    or ( resid   34 and name  HD1) ( resid    0 and name  HA2)
    or ( resid   34 and name  HD1) ( resid    0 and name  HA3)
    or ( resid   34 and name  HD2) ( resid    0 and name  HA1)
    or ( resid   34 and name  HD2) ( resid    0 and name  HA3)
    or ( resid   34 and name  HD2) ( resid    0 and name  HA2)
assign ( resid   20 and name   HN) ( resid   19 and name  HB1) 3.340 1.394 1.394 weight 1.000 ! spec=Expt_16, no=706, id=1202, vol=1.159520e+07
assign ( resid   16 and name   HN) ( resid   15 and name  HB1) 2.880 1.036 1.036 weight 1.000 ! spec=Expt_16, no=716, id=1208, vol=8.590217e+06
assign ( resid   13 and name   HN) ( resid   16 and name  HB2) 5.068 1.068 1.068 weight 1.000 ! spec=Expt_16, no=730, id=1216, vol=7.690046e+06
assign ( resid   17 and name  HB1) ( resid   17 and name   HN) 2.872 0.645 0.645 weight 1.000 ! spec=Expt_16, no=744, id=1219, vol=3.685825e+07
assign ( resid   22 and name  HB2) ( resid   23 and name   HN) 2.363 0.698 0.698 weight 1.000 ! spec=Expt_16, no=752, id=1222, vol=3.692033e+07
    or ( resid   22 and name  HB1) ( resid   23 and name   HN)
    or ( resid   22 and name  HB3) ( resid   23 and name   HN)
assign ( resid   22 and name   HN) ( resid   22 and name  HB2) 2.024 0.512 0.512 weight 1.000 ! spec=Expt_16, no=754, id=1224, vol=7.183960e+07
    or ( resid   22 and name   HN) ( resid   22 and name  HB1)
    or ( resid   22 and name   HN) ( resid   22 and name  HB3)
assign ( resid   25 and name  HB3) ( resid   25 and name   HN) 2.044 0.522 0.522 weight 1.000 ! spec=Expt_16, no=769, id=1229, vol=6.775077e+07
    or ( resid   25 and name  HB2) ( resid   25 and name   HN)
    or ( resid   25 and name  HB1) ( resid   25 and name   HN)
assign ( resid   18 and name  HB2) ( resid   18 and name   HN) 2.055 0.528 0.528 weight 1.000 ! spec=Expt_16, no=774, id=1233, vol=6.882647e+07
    or ( resid   18 and name  HB1) ( resid   18 and name   HN)
    or ( resid   18 and name  HB3) ( resid   18 and name   HN)
assign ( resid   32 and name  HB3) ( resid   32 and name   HN) 1.952 0.476 0.476 weight 1.000 ! spec=Expt_16, no=777, id=1234, vol=7.165799e+07
    or ( resid   32 and name  HB2) ( resid   32 and name   HN)
    or ( resid   32 and name  HB1) ( resid   32 and name   HN)
assign ( resid   32 and name  HB3) ( resid   33 and name   HN) 2.579 0.832 0.832 weight 1.000 ! spec=Expt_16, no=779, id=1235, vol=2.518193e+07
    or ( resid   32 and name  HB2) ( resid   33 and name   HN)
    or ( resid   32 and name  HB1) ( resid   33 and name   HN)
assign ( resid   13 and name   HN) ( resid   13 and name HG22) 2.076 0.539 0.539 weight 1.000 ! spec=Expt_16, no=785, id=1237, vol=5.510879e+07
    or ( resid   13 and name   HN) ( resid   13 and name HG21)
    or ( resid   13 and name   HN) ( resid   13 and name HG23)
assign ( resid   12 and name   HN) ( resid   12 and name  HB2) 2.002 0.501 0.501 weight 1.000 ! spec=Expt_16, no=789, id=1240, vol=6.324662e+07
    or ( resid   12 and name   HN) ( resid   12 and name  HB1)
    or ( resid   12 and name   HN) ( resid   12 and name  HB3)
assign ( resid   12 and name  HB2) ( resid    9 and name   HN) 3.082 1.188 1.188 weight 1.000 ! spec=Expt_16, no=790, id=1241, vol=1.109333e+07
    or ( resid   12 and name  HB1) ( resid    9 and name   HN)
    or ( resid   12 and name  HB3) ( resid    9 and name   HN)
assign ( resid   13 and name   HN) ( resid   12 and name  HB2) 2.883 0.834 0.834 weight 1.000 ! spec=Expt_16, no=791, id=1242, vol=3.135842e+07
    or ( resid   13 and name   HN) ( resid   12 and name  HB1)
    or ( resid   13 and name   HN) ( resid   12 and name  HB3)
assign ( resid    6 and name   HN) ( resid    6 and name HG22) 2.915 1.062 1.062 weight 1.000 ! spec=Expt_16, no=797, id=1243, vol=1.585765e+07
    or ( resid    6 and name   HN) ( resid    6 and name HG21)
    or ( resid    6 and name   HN) ( resid    6 and name HG23)
assign ( resid    7 and name   HN) ( resid    6 and name HG22) 2.812 0.727 0.727 weight 1.000 ! spec=Expt_16, no=798, id=1244, vol=2.772659e+07
    or ( resid    7 and name   HN) ( resid    6 and name HG21)
    or ( resid    7 and name   HN) ( resid    6 and name HG23)
assign ( resid   32 and name   HN) ( resid   31 and name HD12) 3.712 1.722 1.722 weight 1.000 ! spec=Expt_16, no=805, id=1247, vol=6.131233e+06
    or ( resid   32 and name   HN) ( resid   31 and name HD11)
    or ( resid   32 and name   HN) ( resid   31 and name HD13)
assign ( resid   17 and name   HN) ( resid   17 and name HD21) 3.459 1.495 1.495 weight 1.000 ! spec=Expt_16, no=809, id=1251, vol=1.556695e+07
    or ( resid   17 and name   HN) ( resid   17 and name HD23)
    or ( resid   17 and name   HN) ( resid   17 and name HD22)
assign ( resid   20 and name  HD2) ( resid   17 and name HD21) 4.071 1.421 1.421 weight 1.000 ! spec=Expt_16, no=810, id=1252, vol=6.827160e+06
    or ( resid   20 and name  HD2) ( resid   17 and name HD23)
    or ( resid   20 and name  HD2) ( resid   17 and name HD22)
    or ( resid   20 and name  HD1) ( resid   17 and name HD22)
    or ( resid   20 and name  HD1) ( resid   17 and name HD21)
    or ( resid   20 and name  HD1) ( resid   17 and name HD23)
assign ( resid   17 and name   HN) ( resid   17 and name HD13) 3.234 1.307 1.307 weight 1.000 ! spec=Expt_16, no=811, id=1253, vol=1.479084e+07
    or ( resid   17 and name   HN) ( resid   17 and name HD12)
    or ( resid   17 and name   HN) ( resid   17 and name HD11)
assign ( resid   12 and name   HN) ( resid   17 and name HD13) 3.813 1.817 1.817 weight 1.000 ! spec=Expt_16, no=812, id=1254, vol=5.894036e+06
    or ( resid   12 and name   HN) ( resid   17 and name HD12)
    or ( resid   12 and name   HN) ( resid   17 and name HD11)
assign ( resid   20 and name  HD2) ( resid   17 and name HD13) 2.995 1.121 1.121 weight 1.000 ! spec=Expt_16, no=813, id=1255, vol=8.946010e+06
    or ( resid   20 and name  HD2) ( resid   17 and name HD12)
    or ( resid   20 and name  HD2) ( resid   17 and name HD11)
    or ( resid   20 and name  HD1) ( resid   17 and name HD11)
    or ( resid   20 and name  HD1) ( resid   17 and name HD12)
    or ( resid   20 and name  HD1) ( resid   17 and name HD13)
assign ( resid   20 and name  HE2) ( resid   24 and name HD21) 2.347 0.689 0.689 weight 1.000 ! spec=Expt_16, no=814, id=1256, vol=2.936656e+07
    or ( resid   20 and name  HE2) ( resid   24 and name HD22)
    or ( resid   20 and name  HE2) ( resid   24 and name HD23)
assign ( resid   28 and name HE21) ( resid   24 and name HD21) 3.451 1.489 1.489 weight 1.000 ! spec=Expt_16, no=817, id=1259, vol=1.147931e+07
    or ( resid   28 and name HE21) ( resid   24 and name HD22)
    or ( resid   28 and name HE21) ( resid   24 and name HD23)
assign ( resid   24 and name HD12) ( resid   27 and name  HD1) 2.160 0.583 0.583 weight 1.000 ! spec=Expt_16, no=820, id=1261, vol=4.187280e+07
    or ( resid   24 and name HD13) ( resid   27 and name  HD1)
    or ( resid   24 and name HD11) ( resid   27 and name  HD1)
    or ( resid   24 and name HD11) ( resid   27 and name  HD2)
    or ( resid   24 and name HD12) ( resid   27 and name  HD2)
    or ( resid   24 and name HD13) ( resid   27 and name  HD2)
assign ( resid   34 and name  HD2) ( resid   31 and name HD22) 3.347 0.876 0.876 weight 1.000 ! spec=Expt_16, no=822, id=1263, vol=1.501057e+07
    or ( resid   34 and name  HD2) ( resid   31 and name HD21)
    or ( resid   34 and name  HD2) ( resid   31 and name HD23)
    or ( resid   34 and name  HD1) ( resid   31 and name HD22)
    or ( resid   34 and name  HD1) ( resid   31 and name HD23)
    or ( resid   34 and name  HD1) ( resid   31 and name HD21)
assign ( resid   31 and name HD22) ( resid   31 and name   HN) 3.348 1.401 1.401 weight 1.000 ! spec=Expt_16, no=824, id=1265, vol=1.153092e+07
    or ( resid   31 and name HD21) ( resid   31 and name   HN)
    or ( resid   31 and name HD23) ( resid   31 and name   HN)
assign ( resid   31 and name HD22) ( resid   32 and name   HN) 3.914 1.915 1.915 weight 1.000 ! spec=Expt_16, no=825, id=1266, vol=7.138967e+06
    or ( resid   31 and name HD21) ( resid   32 and name   HN)
    or ( resid   31 and name HD23) ( resid   32 and name   HN)
assign ( resid    3 and name HG23) ( resid    4 and name   HN) 2.325 0.675 0.675 weight 1.000 ! spec=Expt_16, no=837, id=1274, vol=2.986239e+07
    or ( resid    3 and name HG22) ( resid    4 and name   HN)
    or ( resid    3 and name HG21) ( resid    4 and name   HN)
assign ( resid    3 and name HG23) ( resid    3 and name   HN) 3.556 1.581 1.581 weight 1.000 ! spec=Expt_16, no=838, id=1275, vol=9.597558e+06
    or ( resid    3 and name HG22) ( resid    3 and name   HN)
    or ( resid    3 and name HG21) ( resid    3 and name   HN)
assign ( resid   11 and name  HB1) ( resid   11 and name HD22) 2.814 0.729 0.729 weight 1.000 ! spec=Expt_16, no=878, id=1305, vol=3.102639e+07
assign ( resid   21 and name  HG2) ( resid   20 and name  HD2) 3.681 1.694 1.694 weight 1.000 ! spec=Expt_16, no=896, id=1314, vol=8.609375e+06
assign ( resid   21 and name HE21) ( resid   21 and name  HG2) 2.579 0.831 0.831 weight 1.000 ! spec=Expt_16, no=912, id=1321, vol=1.092453e+07
assign ( resid   15 and name   HN) ( resid   15 and name  HG1) 3.210 1.288 1.288 weight 1.000 ! spec=Expt_16, no=939, id=1337, vol=6.588985e+06
assign ( resid    4 and name   HN) ( resid   27 and name H33A) 3.325 0.998 0.998 weight 1.000 ! spec=Expt_16, no=947, id=1343, vol=1.394350e+07
    or ( resid    4 and name   HN) ( resid   27 and name H33B)
    or ( resid    4 and name   HN) ( resid   27 and name  H33)
assign ( resid   17 and name  HB1) ( resid   18 and name   HN) 3.424 1.466 1.466 weight 1.000 ! spec=Expt_16, no=962, id=1352, vol=1.418195e+07
assign ( resid   18 and name  HB2) ( resid   17 and name   HN) 3.432 1.473 1.473 weight 1.000 ! spec=Expt_16, no=966, id=1356, vol=1.031920e+07
    or ( resid   18 and name  HB1) ( resid   17 and name   HN)
    or ( resid   18 and name  HB3) ( resid   17 and name   HN)
assign ( resid   28 and name   HN) ( resid   28 and name  HG2) 2.738 0.937 0.937 weight 1.000 ! spec=Expt_16, no=971, id=1359, vol=1.144767e+07
assign ( resid   27 and name  HE1) ( resid   24 and name HD12) 2.881 1.038 1.038 weight 1.000 ! spec=Expt_16, no=981, id=1367, vol=1.528867e+07
    or ( resid   27 and name  HE1) ( resid   24 and name HD13)
    or ( resid   27 and name  HE1) ( resid   24 and name HD11)
assign ( resid   29 and name   HA) ( resid   30 and name   HN) 3.428 1.469 1.469 weight 1.000 ! spec=Expt_16, no=990, id=1376, vol=8.263876e+06
assign ( resid    6 and name   HB) ( resid    7 and name   HN) 3.012 1.134 1.134 weight 1.000 ! spec=Expt_16, no=1000, id=1383, vol=1.804097e+07
assign ( resid    6 and name   HA) ( resid    6 and name   HN) 2.768 0.958 0.958 weight 1.000 ! spec=Expt_16, no=1003, id=1386, vol=1.930767e+07
assign ( resid   21 and name   HA) ( resid   22 and name   HN) 3.395 1.441 1.441 weight 1.000 ! spec=Expt_16, no=1030, id=1404, vol=7.744001e+06
assign ( resid   28 and name  HG1) ( resid   28 and name HE21) 4.225 2.231 2.231 weight 1.000 ! spec=Expt_16, no=1062, id=1428, vol=6.340382e+06
assign ( resid   28 and name   HA) ( resid   27 and name  HD1) 3.589 1.610 1.610 weight 1.000 ! spec=Expt_16, no=1068, id=1434, vol=4.171741e+06
assign ( resid   15 and name  HG1) ( resid   14 and name  HD2) 4.304 2.315 2.315 weight 1.000 ! spec=Expt_16, no=1075, id=1441, vol=5.031421e+06
assign ( resid   15 and name  HG1) ( resid   14 and name  HD1) 3.324 1.143 1.143 weight 1.000 ! spec=Expt_16, no=1076, id=1442, vol=6.891633e+06
assign ( resid    5 and name  HD1) ( resid   24 and name HD12) 3.794 1.800 1.800 weight 1.000 ! spec=Expt_16, no=1082, id=1448, vol=5.623809e+06
    or ( resid    5 and name  HD1) ( resid   24 and name HD13)
    or ( resid    5 and name  HD1) ( resid   24 and name HD11)
assign ( resid    4 and name  HG2) ( resid    4 and name  HG1) 2.583 0.834 0.834 weight 1.000 ! spec=Expt_16, no=1091, id=1453, vol=7.661301e+06
assign ( resid   28 and name  HG2) ( resid   24 and name HD12) 3.343 1.397 1.397 weight 1.000 ! spec=Expt_16, no=1100, id=1460, vol=5.032744e+06
    or ( resid   28 and name  HG2) ( resid   24 and name HD13)
    or ( resid   28 and name  HG2) ( resid   24 and name HD11)
assign ( resid    8 and name  HD2) ( resid   17 and name HD13) 3.543 1.569 1.569 weight 1.000 ! spec=Expt_16, no=1103, id=1463, vol=3.893300e+06
    or ( resid    8 and name  HD2) ( resid   17 and name HD12)
    or ( resid    8 and name  HD2) ( resid   17 and name HD11)
assign ( resid   20 and name  HB2) ( resid   17 and name HD13) 3.651 1.666 1.666 weight 1.000 ! spec=Expt_16, no=1105, id=1465, vol=4.917172e+06
    or ( resid   20 and name  HB2) ( resid   17 and name HD12)
    or ( resid   20 and name  HB2) ( resid   17 and name HD11)
assign ( resid    5 and name  HD1) ( resid    5 and name  HG1) 3.019 1.139 1.139 weight 1.000 ! spec=Expt_16, no=1108, id=1467, vol=5.262286e+06
assign ( resid    7 and name  HD1) ( resid    7 and name   HA) 4.751 2.821 2.821 weight 1.000 ! spec=Expt_16, no=1112, id=1471, vol=3.997160e+06
assign ( resid   20 and name  HB1) ( resid   17 and name HD13) 3.456 1.493 1.493 weight 1.000 ! spec=Expt_16, no=1117, id=1475, vol=4.531281e+06
    or ( resid   20 and name  HB1) ( resid   17 and name HD12)
    or ( resid   20 and name  HB1) ( resid   17 and name HD11)
assign ( resid   30 and name   HA) ( resid   33 and name   HN) 3.523 1.552 1.552 weight 1.000 ! spec=Expt_16, no=1120, id=1478, vol=5.665490e+06
assign ( resid   30 and name   HN) ( resid   32 and name   HN) 4.485 2.514 2.514 weight 1.000 ! spec=Expt_16, no=1123, id=1481, vol=2.679504e+06
assign ( resid   21 and name HE22) ( resid   20 and name  HD2) 3.923 1.923 1.923 weight 1.000 ! spec=Expt_16, no=1124, id=1482, vol=6.988865e+06
assign ( resid   20 and name  HE1) ( resid    5 and name  HG2) 3.192 1.273 1.273 weight 1.000 ! spec=Expt_16, no=1130, id=1487, vol=8.767860e+06
assign ( resid   29 and name   HN) ( resid   29 and name  HB1) 2.478 0.768 0.768 weight 1.000 ! spec=Expt_6, no=11, id=8, vol=1.674222e+07
assign ( resid   29 and name   HN) ( resid   29 and name  HB2) 2.694 0.907 0.907 weight 1.000 ! spec=Expt_6, no=12, id=9, vol=1.272258e+07
assign ( resid   13 and name   HN) ( resid   13 and name   HA) 2.681 0.899 0.899 weight 1.000 ! spec=Expt_6, no=14, id=11, vol=1.099396e+07
assign ( resid   12 and name   HN) ( resid   11 and name   HA) 2.785 0.969 0.969 weight 1.000 ! spec=Expt_6, no=16, id=13, vol=9.916792e+06
assign ( resid   13 and name   HN) ( resid   12 and name   HA) 2.833 0.623 0.623 weight 1.000 ! spec=Expt_6, no=20, id=17, vol=3.297633e+07
assign ( resid   12 and name   HN) ( resid   11 and name   HN) 3.003 1.127 1.127 weight 1.000 ! spec=Expt_6, no=22, id=19, vol=5.903676e+06
assign ( resid    7 and name   HN) ( resid    6 and name   HA) 2.026 0.513 0.513 weight 1.000 ! spec=Expt_6, no=24, id=21, vol=5.588243e+07
assign ( resid   11 and name   HN) ( resid   11 and name   HA) 2.747 0.944 0.944 weight 1.000 ! spec=Expt_6, no=25, id=22, vol=1.030305e+07
assign ( resid    7 and name   HN) ( resid    7 and name   HA) 2.832 1.003 1.003 weight 1.000 ! spec=Expt_6, no=26, id=23, vol=7.857266e+06
assign ( resid   11 and name   HN) ( resid   11 and name  HB2) 2.846 1.013 1.013 weight 1.000 ! spec=Expt_6, no=27, id=24, vol=8.425829e+06
assign ( resid    9 and name  HA1) ( resid    9 and name   HN) 2.651 0.879 0.879 weight 1.000 ! spec=Expt_6, no=28, id=25, vol=1.138916e+07
assign ( resid    9 and name  HA2) ( resid   10 and name   HN) 3.199 1.280 1.280 weight 1.000 ! spec=Expt_6, no=31, id=28, vol=9.416733e+06
assign ( resid    8 and name   HA) ( resid    9 and name   HN) 2.212 0.612 0.612 weight 1.000 ! spec=Expt_6, no=33, id=30, vol=3.503898e+07
assign ( resid    8 and name  HB2) ( resid    8 and name  HB1) 1.978 0.489 0.489 weight 1.000 ! spec=Expt_6, no=34, id=31, vol=4.100436e+07
assign ( resid    9 and name  HA1) ( resid   10 and name   HN) 2.637 0.869 0.869 weight 1.000 ! spec=Expt_6, no=41, id=38, vol=1.177408e+07
assign ( resid   10 and name   HN) ( resid   10 and name  HB2) 2.691 0.905 0.905 weight 1.000 ! spec=Expt_6, no=42, id=39, vol=1.062079e+07
assign ( resid    3 and name   HA) ( resid    3 and name   HN) 2.805 0.607 0.607 weight 1.000 ! spec=Expt_6, no=44, id=41, vol=3.949551e+07
assign ( resid   10 and name   HA) ( resid   10 and name   HN) 3.043 1.158 1.158 weight 1.000 ! spec=Expt_6, no=45, id=42, vol=6.063045e+06
assign ( resid   10 and name  HB1) ( resid   10 and name   HN) 3.180 1.264 1.264 weight 1.000 ! spec=Expt_6, no=46, id=43, vol=7.170254e+06
assign ( resid   21 and name   HN) ( resid   21 and name  HB2) 2.542 0.808 0.808 weight 1.000 ! spec=Expt_6, no=50, id=47, vol=1.306500e+07
assign ( resid    6 and name   HN) ( resid    5 and name   HA) 2.082 0.542 0.542 weight 1.000 ! spec=Expt_6, no=51, id=48, vol=5.251047e+07
assign ( resid   15 and name   HN) ( resid   14 and name   HA) 2.701 0.912 0.912 weight 1.000 ! spec=Expt_6, no=56, id=53, vol=1.118997e+07
assign ( resid   29 and name   HN) ( resid   28 and name   HN) 2.729 0.931 0.931 weight 1.000 ! spec=Expt_6, no=63, id=60, vol=9.836149e+06
assign ( resid   30 and name   HN) ( resid   31 and name   HN) 2.844 1.011 1.011 weight 1.000 ! spec=Expt_6, no=66, id=63, vol=7.796502e+06
assign ( resid   29 and name   HN) ( resid   30 and name   HN) 2.671 0.892 0.892 weight 1.000 ! spec=Expt_6, no=68, id=65, vol=1.184449e+07
assign ( resid   28 and name   HN) ( resid   28 and name  HG1) 3.369 1.419 1.419 weight 1.000 ! spec=Expt_6, no=69, id=66, vol=8.334967e+06
assign ( resid   28 and name   HN) ( resid   27 and name  HB1) 2.838 1.007 1.007 weight 1.000 ! spec=Expt_6, no=71, id=68, vol=6.723318e+06
assign ( resid   21 and name  HG2) ( resid   21 and name HE22) 3.284 1.348 1.348 weight 1.000 ! spec=Expt_6, no=86, id=83, vol=1.013891e+07
assign ( resid   21 and name  HG2) ( resid   21 and name  HB2) 2.308 0.666 0.666 weight 1.000 ! spec=Expt_6, no=87, id=84, vol=2.615892e+07
assign ( resid   21 and name   HN) ( resid   21 and name   HA) 2.699 0.910 0.910 weight 1.000 ! spec=Expt_6, no=89, id=86, vol=1.115928e+07
assign ( resid   16 and name   HN) ( resid   15 and name   HN) 2.706 0.915 0.915 weight 1.000 ! spec=Expt_6, no=91, id=88, vol=9.886119e+06
assign ( resid   19 and name   HN) ( resid   18 and name   HN) 2.520 0.794 0.794 weight 1.000 ! spec=Expt_6, no=93, id=90, vol=1.679392e+07
assign ( resid   34 and name   HN) ( resid   33 and name   HN) 2.724 0.928 0.928 weight 1.000 ! spec=Expt_6, no=97, id=93, vol=1.087760e+07
assign ( resid   27 and name   HN) ( resid   28 and name   HN) 2.845 1.012 1.012 weight 1.000 ! spec=Expt_6, no=98, id=94, vol=7.733600e+06
assign ( resid   32 and name   HN) ( resid   31 and name   HN) 2.777 0.964 0.964 weight 1.000 ! spec=Expt_6, no=100, id=96, vol=9.634651e+06
assign ( resid   28 and name   HN) ( resid   27 and name  HD1) 3.113 1.211 1.211 weight 1.000 ! spec=Expt_6, no=101, id=97, vol=5.753198e+06
assign ( resid   26 and name   HN) ( resid   27 and name   HN) 2.672 0.892 0.892 weight 1.000 ! spec=Expt_6, no=105, id=101, vol=1.136828e+07
assign ( resid   32 and name   HN) ( resid   33 and name   HN) 2.648 0.876 0.876 weight 1.000 ! spec=Expt_6, no=107, id=103, vol=1.270839e+07
assign ( resid   22 and name   HN) ( resid   23 and name   HN) 2.538 0.805 0.805 weight 1.000 ! spec=Expt_6, no=111, id=107, vol=1.625082e+07
assign ( resid   25 and name   HN) ( resid   24 and name   HN) 2.725 0.928 0.928 weight 1.000 ! spec=Expt_6, no=113, id=109, vol=1.040821e+07
assign ( resid   20 and name  HD1) ( resid   20 and name  HE1) 1.986 0.493 0.493 weight 1.000 ! spec=Expt_6, no=115, id=110, vol=6.674388e+07
assign ( resid   20 and name  HD1) ( resid   20 and name   HA) 2.564 0.822 0.822 weight 1.000 ! spec=Expt_6, no=116, id=111, vol=1.641633e+07
assign ( resid   20 and name  HD1) ( resid   20 and name  HB2) 2.475 0.766 0.766 weight 1.000 ! spec=Expt_6, no=119, id=114, vol=2.356559e+07
assign ( resid   27 and name  HD2) ( resid   27 and name   HA) 2.713 0.920 0.920 weight 1.000 ! spec=Expt_6, no=121, id=116, vol=1.218956e+07
assign ( resid   27 and name  HD1) ( resid   27 and name  HB1) 2.419 0.731 0.731 weight 1.000 ! spec=Expt_6, no=122, id=117, vol=1.882513e+07
assign ( resid   27 and name  HD2) ( resid   27 and name  HB2) 2.580 0.832 0.832 weight 1.000 ! spec=Expt_6, no=123, id=118, vol=1.627938e+07
assign ( resid   27 and name  HB1) ( resid   27 and name   HN) 2.511 0.788 0.788 weight 1.000 ! spec=Expt_6, no=124, id=119, vol=1.412476e+07
assign ( resid   27 and name  HB2) ( resid   27 and name   HN) 2.762 0.954 0.954 weight 1.000 ! spec=Expt_6, no=125, id=120, vol=1.229357e+07
assign ( resid   27 and name  HB2) ( resid   24 and name   HA) 3.187 1.270 1.270 weight 1.000 ! spec=Expt_6, no=127, id=122, vol=7.607204e+06
assign ( resid   27 and name  HB1) ( resid   27 and name   HA) 3.069 1.177 1.177 weight 1.000 ! spec=Expt_6, no=128, id=123, vol=8.168122e+06
assign ( resid   27 and name  HB2) ( resid   27 and name   HA) 2.680 0.898 0.898 weight 1.000 ! spec=Expt_6, no=129, id=124, vol=1.027961e+07
assign ( resid   27 and name   HN) ( resid   27 and name   HA) 2.808 0.986 0.986 weight 1.000 ! spec=Expt_6, no=133, id=128, vol=9.685469e+06
assign ( resid   33 and name   HN) ( resid   33 and name   HA) 2.669 0.891 0.891 weight 1.000 ! spec=Expt_6, no=134, id=129, vol=1.370759e+07
assign ( resid   20 and name  HE1) ( resid    5 and name  HG1) 3.356 1.408 1.408 weight 1.000 ! spec=Expt_6, no=139, id=134, vol=7.663738e+06
assign ( resid    5 and name  HD2) ( resid    5 and name  HD1) 2.040 0.520 0.520 weight 1.000 ! spec=Expt_6, no=143, id=138, vol=3.448218e+07
assign ( resid    4 and name   HA) ( resid    5 and name  HD1) 2.746 0.942 0.942 weight 1.000 ! spec=Expt_6, no=144, id=139, vol=1.257664e+07
assign ( resid   20 and name  HE1) ( resid    7 and name   HA) 3.063 1.173 1.173 weight 1.000 ! spec=Expt_6, no=145, id=140, vol=5.126667e+06
assign ( resid   34 and name   HA) ( resid   34 and name  HB1) 2.797 0.978 0.978 weight 1.000 ! spec=Expt_6, no=152, id=147, vol=1.456922e+07
assign ( resid   34 and name   HA) ( resid   34 and name   HN) 2.350 0.690 0.690 weight 1.000 ! spec=Expt_6, no=157, id=152, vol=2.776093e+07
assign ( resid   31 and name   HN) ( resid   31 and name HD12) 3.244 1.315 1.315 weight 1.000 ! spec=Expt_6, no=158, id=153, vol=1.190171e+07
    or ( resid   31 and name   HN) ( resid   31 and name HD11)
    or ( resid   31 and name   HN) ( resid   31 and name HD13)
assign ( resid    7 and name   HA) ( resid    8 and name  HD2) 2.469 0.762 0.762 weight 1.000 ! spec=Expt_6, no=170, id=165, vol=2.195727e+07
assign ( resid    8 and name  HD2) ( resid    8 and name  HD1) 2.052 0.526 0.526 weight 1.000 ! spec=Expt_6, no=173, id=168, vol=3.610326e+07
assign ( resid    6 and name   HB) ( resid    6 and name   HN) 2.866 0.760 0.760 weight 1.000 ! spec=Expt_6, no=175, id=170, vol=2.041370e+07
assign ( resid    6 and name   HA) ( resid    6 and name   HB) 2.304 0.664 0.664 weight 1.000 ! spec=Expt_6, no=181, id=176, vol=3.091879e+07
assign ( resid    3 and name   HB) ( resid    3 and name   HA) 2.724 0.927 0.927 weight 1.000 ! spec=Expt_6, no=182, id=177, vol=1.173228e+07
assign ( resid   15 and name   HN) ( resid   15 and name  HB2) 3.281 1.345 1.345 weight 1.000 ! spec=Expt_6, no=186, id=181, vol=1.041360e+07
assign ( resid   15 and name   HN) ( resid   15 and name  HB1) 2.472 0.764 0.764 weight 1.000 ! spec=Expt_6, no=188, id=182, vol=1.581945e+07
assign ( resid   15 and name  HB2) ( resid   15 and name  HB1) 1.876 0.440 0.440 weight 1.000 ! spec=Expt_6, no=190, id=184, vol=6.297182e+07
assign ( resid   15 and name   HN) ( resid   15 and name  HG2) 3.960 1.960 1.960 weight 1.000 ! spec=Expt_6, no=196, id=190, vol=2.966165e+06
assign ( resid   15 and name   HN) ( resid   15 and name   HA) 2.622 0.859 0.859 weight 1.000 ! spec=Expt_6, no=197, id=191, vol=1.430460e+07
assign ( resid   24 and name   HN) ( resid   24 and name   HA) 2.726 0.929 0.929 weight 1.000 ! spec=Expt_6, no=198, id=192, vol=1.011259e+07
assign ( resid   16 and name   HA) ( resid   16 and name   HN) 2.623 0.860 0.860 weight 1.000 ! spec=Expt_6, no=200, id=194, vol=1.282965e+07
assign ( resid   17 and name   HA) ( resid   18 and name   HN) 2.938 1.079 1.079 weight 1.000 ! spec=Expt_6, no=212, id=205, vol=7.565736e+06
assign ( resid   28 and name   HN) ( resid   28 and name   HA) 2.740 0.939 0.939 weight 1.000 ! spec=Expt_6, no=218, id=211, vol=9.796437e+06
assign ( resid   28 and name  HG2) ( resid   28 and name HE21) 3.977 1.977 1.977 weight 1.000 ! spec=Expt_6, no=220, id=213, vol=3.275514e+06
assign ( resid   21 and name  HG2) ( resid   21 and name   HA) 2.655 0.881 0.881 weight 1.000 ! spec=Expt_6, no=225, id=218, vol=1.336939e+07
assign ( resid   32 and name   HN) ( resid   32 and name   HA) 2.510 0.788 0.788 weight 1.000 ! spec=Expt_6, no=228, id=221, vol=1.851034e+07
assign ( resid   29 and name   HA) ( resid   29 and name   HN) 2.679 0.897 0.897 weight 1.000 ! spec=Expt_6, no=229, id=222, vol=1.256329e+07
assign ( resid    3 and name   HN) ( resid    2 and name   HA) 2.188 0.598 0.598 weight 1.000 ! spec=Expt_6, no=240, id=232, vol=3.951941e+07
assign ( resid    4 and name   HN) ( resid    3 and name   HA) 2.075 0.538 0.538 weight 1.000 ! spec=Expt_6, no=243, id=233, vol=5.268612e+07
assign ( resid   20 and name   HN) ( resid   20 and name  HB1) 2.425 0.735 0.735 weight 1.000 ! spec=Expt_6, no=244, id=234, vol=1.813895e+07
assign ( resid   20 and name   HN) ( resid   20 and name  HB2) 2.622 0.859 0.859 weight 1.000 ! spec=Expt_6, no=245, id=235, vol=1.442550e+07
assign ( resid   20 and name  HB2) ( resid   20 and name   HA) 2.802 0.982 0.982 weight 1.000 ! spec=Expt_6, no=246, id=236, vol=8.105997e+06
assign ( resid   20 and name  HB1) ( resid   20 and name   HA) 2.831 1.002 1.002 weight 1.000 ! spec=Expt_6, no=247, id=237, vol=1.238126e+07
assign ( resid   34 and name  HB1) ( resid   34 and name   HN) 2.618 0.857 0.857 weight 1.000 ! spec=Expt_6, no=248, id=238, vol=1.287202e+07
assign ( resid   20 and name   HN) ( resid   20 and name   HA) 2.745 0.942 0.942 weight 1.000 ! spec=Expt_6, no=253, id=243, vol=1.064343e+07
assign ( resid   34 and name  HB1) ( resid   34 and name  HD2) 2.522 0.795 0.795 weight 1.000 ! spec=Expt_6, no=254, id=244, vol=1.569213e+07
assign ( resid   20 and name  HD1) ( resid   21 and name HE21) 2.882 0.443 0.443 weight 1.000 ! spec=Expt_6, no=256, id=246, vol=7.064787e+07
  or ( resid   20 and name  HD2) ( resid   21 and name HE21)
assign ( resid   14 and name  HD2) ( resid   13 and name   HB) 2.940 1.081 1.081 weight 1.000 ! spec=Expt_6, no=260, id=250, vol=1.055266e+07
assign ( resid   14 and name  HD1) ( resid   13 and name   HB) 2.493 0.777 0.777 weight 1.000 ! spec=Expt_6, no=261, id=251, vol=1.496758e+07
assign ( resid   13 and name   HA) ( resid   14 and name  HD1) 3.004 1.128 1.128 weight 1.000 ! spec=Expt_6, no=264, id=253, vol=1.759685e+07
assign ( resid   13 and name   HA) ( resid   13 and name   HB) 2.681 0.898 0.898 weight 1.000 ! spec=Expt_6, no=265, id=254, vol=1.059646e+07
assign ( resid    8 and name  HB2) ( resid    8 and name   HA) 2.363 0.698 0.698 weight 1.000 ! spec=Expt_6, no=268, id=257, vol=2.048558e+07
assign ( resid    3 and name   HN) ( resid    3 and name   HB) 2.595 0.842 0.842 weight 1.000 ! spec=Expt_6, no=277, id=266, vol=1.507711e+07
assign ( resid    4 and name   HA) ( resid    4 and name   HN) 2.996 1.122 1.122 weight 1.000 ! spec=Expt_6, no=283, id=272, vol=5.721728e+06
assign ( resid    2 and name   HA) ( resid    2 and name  HB2) 2.554 0.815 0.815 weight 1.000 ! spec=Expt_6, no=287, id=276, vol=1.316036e+07
assign ( resid   13 and name   HN) ( resid   13 and name   HB) 3.645 1.661 1.661 weight 1.000 ! spec=Expt_6, no=291, id=280, vol=2.694449e+06
assign ( resid   14 and name  HD2) ( resid   14 and name  HG1) 2.700 0.912 0.912 weight 1.000 ! spec=Expt_6, no=296, id=284, vol=8.258159e+06
assign ( resid   14 and name  HD1) ( resid   14 and name  HG1) 3.512 1.541 1.541 weight 1.000 ! spec=Expt_6, no=297, id=285, vol=4.779007e+06
assign ( resid   14 and name  HD2) ( resid   14 and name  HG2) 2.883 1.039 1.039 weight 1.000 ! spec=Expt_6, no=298, id=286, vol=9.745846e+06
assign ( resid   16 and name  HB1) ( resid   16 and name   HN) 2.473 0.764 0.764 weight 1.000 ! spec=Expt_6, no=306, id=294, vol=1.422292e+07
assign ( resid   16 and name  HB2) ( resid   16 and name   HN) 3.429 1.470 1.470 weight 1.000 ! spec=Expt_6, no=308, id=296, vol=7.101773e+06
assign ( resid   16 and name  HB1) ( resid   16 and name  HB2) 2.080 0.541 0.541 weight 1.000 ! spec=Expt_6, no=309, id=297, vol=3.177557e+07
assign ( resid   17 and name  HB1) ( resid   17 and name  HB2) 1.940 0.470 0.470 weight 1.000 ! spec=Expt_6, no=323, id=307, vol=5.031448e+07
assign ( resid   24 and name HD21) ( resid   24 and name  HB1) 2.532 0.801 0.801 weight 1.000 ! spec=Expt_6, no=326, id=310, vol=1.978886e+07
    or ( resid   24 and name HD22) ( resid   24 and name  HB1)
    or ( resid   24 and name HD23) ( resid   24 and name  HB1)
assign ( resid   24 and name   HA) ( resid   24 and name  HB2) 2.610 0.852 0.852 weight 1.000 ! spec=Expt_6, no=329, id=313, vol=1.067198e+07
assign ( resid   24 and name   HA) ( resid   24 and name  HB1) 2.838 1.007 1.007 weight 1.000 ! spec=Expt_6, no=331, id=315, vol=1.105680e+07
assign ( resid   27 and name  HB1) ( resid   24 and name   HA) 2.541 0.807 0.807 weight 1.000 ! spec=Expt_6, no=332, id=316, vol=1.169569e+07
assign ( resid    1 and name   HA) ( resid    2 and name  HD1) 2.432 0.739 0.739 weight 1.000 ! spec=Expt_6, no=333, id=317, vol=2.037242e+07
assign ( resid   31 and name   HA) ( resid   34 and name  HB2) 3.147 1.238 1.238 weight 1.000 ! spec=Expt_6, no=337, id=321, vol=5.950208e+06
assign ( resid   26 and name   HN) ( resid   26 and name   HA) 2.607 0.849 0.849 weight 1.000 ! spec=Expt_6, no=338, id=322, vol=1.370506e+07
assign ( resid   26 and name   HN) ( resid   26 and name  HB1) 2.494 0.777 0.777 weight 1.000 ! spec=Expt_6, no=339, id=323, vol=1.498381e+07
assign ( resid   26 and name   HN) ( resid   26 and name  HB2) 2.787 0.971 0.971 weight 1.000 ! spec=Expt_6, no=340, id=324, vol=1.509995e+07
assign ( resid   26 and name  HG2) ( resid   26 and name   HN) 3.355 0.754 0.754 weight 1.000 ! spec=Expt_6, no=341, id=325, vol=2.020065e+07
assign ( resid   26 and name  HB1) ( resid   23 and name   HA) 2.839 1.007 1.007 weight 1.000 ! spec=Expt_6, no=342, id=326, vol=7.440759e+06
assign ( resid   30 and name   HN) ( resid   30 and name  HB1) 2.773 0.961 0.961 weight 1.000 ! spec=Expt_6, no=361, id=342, vol=8.079082e+06
assign ( resid   30 and name   HN) ( resid   30 and name  HB2) 3.456 1.493 1.493 weight 1.000 ! spec=Expt_6, no=362, id=343, vol=4.499798e+06
assign ( resid   30 and name   HN) ( resid   29 and name  HB1) 2.827 0.999 0.999 weight 1.000 ! spec=Expt_6, no=364, id=344, vol=7.073319e+06
assign ( resid   30 and name   HN) ( resid   29 and name  HB2) 3.798 1.803 1.803 weight 1.000 ! spec=Expt_6, no=365, id=345, vol=4.028195e+06
assign ( resid   30 and name  HB2) ( resid   30 and name   HA) 2.532 0.802 0.802 weight 1.000 ! spec=Expt_6, no=368, id=348, vol=1.530350e+07
assign ( resid   30 and name  HB1) ( resid   30 and name   HA) 3.142 1.234 1.234 weight 1.000 ! spec=Expt_6, no=369, id=349, vol=6.760747e+06
assign ( resid   31 and name   HN) ( resid   31 and name   HA) 2.825 0.998 0.998 weight 1.000 ! spec=Expt_6, no=370, id=350, vol=8.627433e+06
assign ( resid   31 and name  HB2) ( resid   31 and name   HN) 2.821 0.994 0.994 weight 1.000 ! spec=Expt_6, no=371, id=351, vol=9.947904e+06
assign ( resid   31 and name   HN) ( resid   30 and name  HB1) 3.248 1.319 1.319 weight 1.000 ! spec=Expt_6, no=384, id=364, vol=3.486253e+06
assign ( resid   31 and name   HN) ( resid   30 and name  HB2) 3.769 1.776 1.776 weight 1.000 ! spec=Expt_6, no=385, id=365, vol=2.783985e+06
assign ( resid   34 and name   HN) ( resid   33 and name  HB1) 3.083 1.188 1.188 weight 1.000 ! spec=Expt_6, no=388, id=368, vol=6.515697e+06
assign ( resid   24 and name  HB2) ( resid   24 and name   HN) 2.721 0.925 0.925 weight 1.000 ! spec=Expt_6, no=389, id=369, vol=1.076396e+07
assign ( resid   24 and name  HB1) ( resid   24 and name   HN) 2.645 0.874 0.874 weight 1.000 ! spec=Expt_6, no=391, id=371, vol=1.154709e+07
assign ( resid   17 and name   HN) ( resid   16 and name  HB1) 3.061 1.171 1.171 weight 1.000 ! spec=Expt_6, no=396, id=374, vol=5.447404e+06
assign ( resid   27 and name   HN) ( resid   26 and name  HB1) 2.906 1.056 1.056 weight 1.000 ! spec=Expt_6, no=397, id=375, vol=6.197731e+06
assign ( resid   27 and name   HN) ( resid   26 and name  HB2) 3.777 1.783 1.783 weight 1.000 ! spec=Expt_6, no=398, id=376, vol=2.942443e+06
assign ( resid   31 and name   HA) ( resid   32 and name   HN) 3.253 1.323 1.323 weight 1.000 ! spec=Expt_6, no=411, id=386, vol=4.327900e+06
assign ( resid   31 and name   HA) ( resid   34 and name   HN) 3.238 1.310 1.310 weight 1.000 ! spec=Expt_6, no=412, id=387, vol=4.174567e+06
assign ( resid   24 and name   HA) ( resid   25 and name   HN) 3.378 1.426 1.426 weight 1.000 ! spec=Expt_6, no=413, id=388, vol=3.114009e+06
assign ( resid   27 and name  HE1) ( resid   27 and name H33A) 1.989 0.495 0.495 weight 1.000 ! spec=Expt_6, no=431, id=404, vol=5.745033e+07
    or ( resid   27 and name  HE1) ( resid   27 and name H33B)
    or ( resid   27 and name  HE1) ( resid   27 and name  H33)
assign ( resid    5 and name   HA) ( resid    5 and name  HB2) 2.717 0.923 0.923 weight 1.000 ! spec=Expt_6, no=432, id=405, vol=1.343071e+07
assign ( resid    1 and name  HD2) ( resid    1 and name  HG1) 3.798 1.803 1.803 weight 1.000 ! spec=Expt_6, no=439, id=412, vol=2.176756e+06
assign ( resid    1 and name  HD1) ( resid    1 and name  HD2) 1.876 0.440 0.440 weight 1.000 ! spec=Expt_6, no=441, id=414, vol=6.756777e+07
assign ( resid   20 and name  HB1) ( resid   17 and name   HA) 2.816 0.991 0.991 weight 1.000 ! spec=Expt_6, no=447, id=420, vol=7.649740e+06
assign ( resid   20 and name  HB2) ( resid   17 and name   HA) 2.878 1.036 1.036 weight 1.000 ! spec=Expt_6, no=448, id=421, vol=9.626958e+06
assign ( resid   27 and name   HN) ( resid   26 and name   HA) 3.164 1.251 1.251 weight 1.000 ! spec=Expt_6, no=453, id=426, vol=4.741717e+06
assign ( resid   27 and name   HN) ( resid   24 and name   HA) 3.113 1.211 1.211 weight 1.000 ! spec=Expt_6, no=454, id=427, vol=5.268553e+06
assign ( resid    4 and name  HG2) ( resid    4 and name  HB2) 2.196 0.603 0.603 weight 1.000 ! spec=Expt_6, no=465, id=437, vol=2.673546e+07
assign ( resid   31 and name HD22) ( resid   27 and name H33A) 2.209 0.409 0.409 weight 1.000 ! spec=Expt_6, no=473, id=444, vol=4.794391e+07
    or ( resid   31 and name HD22) ( resid   27 and name H33B)
    or ( resid   31 and name HD22) ( resid   27 and name  H33)
    or ( resid   31 and name HD21) ( resid   27 and name H33A)
    or ( resid   31 and name HD21) ( resid   27 and name H33B)
    or ( resid   31 and name HD21) ( resid   27 and name  H33)
    or ( resid   31 and name HD23) ( resid   27 and name H33A)
    or ( resid   31 and name HD23) ( resid   27 and name H33B)
    or ( resid   31 and name HD23) ( resid   27 and name  H33)
assign ( resid   21 and name   HA) ( resid   24 and name  HB1) 2.621 0.859 0.859 weight 1.000 ! spec=Expt_6, no=485, id=455, vol=1.081326e+07
assign ( resid   28 and name   HA) ( resid   31 and name  HB2) 3.255 1.324 1.324 weight 1.000 ! spec=Expt_6, no=486, id=456, vol=7.247911e+06
assign ( resid   31 and name  HB2) ( resid   31 and name   HA) 2.906 1.056 1.056 weight 1.000 ! spec=Expt_6, no=487, id=457, vol=9.213183e+06
assign ( resid   28 and name  HB2) ( resid   28 and name   HA) 2.616 0.856 0.856 weight 1.000 ! spec=Expt_6, no=488, id=458, vol=1.192904e+07
assign ( resid    5 and name  HD1) ( resid    5 and name  HG2) 3.232 1.306 1.306 weight 1.000 ! spec=Expt_6, no=491, id=461, vol=7.113170e+06
assign ( resid    7 and name   HA) ( resid    7 and name  HD2) 3.393 1.439 1.439 weight 1.000 ! spec=Expt_6, no=494, id=464, vol=6.212048e+06
assign ( resid    5 and name  HD2) ( resid    5 and name  HG1) 2.438 0.743 0.743 weight 1.000 ! spec=Expt_6, no=496, id=466, vol=2.258003e+07
assign ( resid    2 and name  HD2) ( resid    2 and name  HG1) 2.481 0.770 0.770 weight 1.000 ! spec=Expt_6, no=497, id=467, vol=1.320593e+07
assign ( resid    2 and name  HD2) ( resid    2 and name  HG2) 2.965 1.099 1.099 weight 1.000 ! spec=Expt_6, no=498, id=468, vol=9.622385e+06
assign ( resid    4 and name   HA) ( resid    4 and name  HG2) 3.068 1.177 1.177 weight 1.000 ! spec=Expt_6, no=502, id=471, vol=5.167498e+06
assign ( resid   28 and name  HG2) ( resid   28 and name  HB2) 3.289 1.352 1.352 weight 1.000 ! spec=Expt_6, no=506, id=474, vol=6.174052e+06
assign ( resid   15 and name  HG1) ( resid   15 and name  HB1) 2.039 0.519 0.519 weight 1.000 ! spec=Expt_6, no=507, id=475, vol=4.858877e+07
assign ( resid   28 and name  HG2) ( resid   28 and name   HA) 3.033 1.150 1.150 weight 1.000 ! spec=Expt_6, no=509, id=477, vol=7.839788e+06
assign ( resid   21 and name  HB2) ( resid   21 and name   HA) 2.666 0.888 0.888 weight 1.000 ! spec=Expt_6, no=510, id=478, vol=1.735073e+07
assign ( resid   28 and name  HB1) ( resid   28 and name   HA) 2.999 1.125 1.125 weight 1.000 ! spec=Expt_6, no=511, id=479, vol=8.130047e+06
assign ( resid   18 and name   HA) ( resid   21 and name  HB2) 2.922 1.067 1.067 weight 1.000 ! spec=Expt_6, no=513, id=481, vol=7.626761e+06
assign ( resid   25 and name   HA) ( resid   28 and name  HB1) 2.906 1.056 1.056 weight 1.000 ! spec=Expt_6, no=514, id=482, vol=6.653393e+06
assign ( resid   15 and name  HB2) ( resid   15 and name   HA) 2.608 0.850 0.850 weight 1.000 ! spec=Expt_6, no=515, id=483, vol=1.355142e+07
assign ( resid   19 and name   HA) ( resid   19 and name  HB1) 2.492 0.776 0.776 weight 1.000 ! spec=Expt_6, no=517, id=485, vol=1.844450e+07
assign ( resid   19 and name   HA) ( resid   19 and name  HB2) 2.547 0.811 0.811 weight 1.000 ! spec=Expt_6, no=519, id=487, vol=1.832061e+07
assign ( resid   17 and name  HB2) ( resid   17 and name   HA) 2.901 1.052 1.052 weight 1.000 ! spec=Expt_6, no=521, id=489, vol=9.299918e+06
assign ( resid   15 and name   HA) ( resid   15 and name  HG2) 2.898 0.910 0.910 weight 1.000 ! spec=Expt_6, no=533, id=496, vol=1.133163e+07
assign ( resid   17 and name  HB1) ( resid   17 and name   HA) 2.380 0.708 0.708 weight 1.000 ! spec=Expt_6, no=540, id=503, vol=2.140922e+07
assign ( resid   20 and name  HB1) ( resid   21 and name   HN) 3.053 1.165 1.165 weight 1.000 ! spec=Expt_6, no=559, id=514, vol=4.578453e+06
assign ( resid   21 and name   HN) ( resid   20 and name  HB2) 3.416 1.459 1.459 weight 1.000 ! spec=Expt_6, no=560, id=515, vol=7.055530e+06
assign ( resid   19 and name  HG2) ( resid   19 and name   HN) 3.088 0.837 0.837 weight 1.000 ! spec=Expt_6, no=561, id=516, vol=1.493222e+07
assign ( resid   23 and name   HA) ( resid   23 and name  HB1) 2.889 1.043 1.043 weight 1.000 ! spec=Expt_6, no=569, id=524, vol=7.786986e+06
assign ( resid   15 and name   HA) ( resid   15 and name  HG1) 3.046 1.160 1.160 weight 1.000 ! spec=Expt_6, no=571, id=525, vol=8.542053e+06
assign ( resid   12 and name  HB2) ( resid    8 and name  HB2) 3.303 1.364 1.364 weight 1.000 ! spec=Expt_6, no=614, id=554, vol=1.220733e+07
    or ( resid   12 and name  HB1) ( resid    8 and name  HB2)
    or ( resid   12 and name  HB3) ( resid    8 and name  HB2)
assign ( resid   17 and name  HB2) ( resid   17 and name   HN) 2.690 0.904 0.904 weight 1.000 ! spec=Expt_6, no=624, id=564, vol=1.536558e+07
assign ( resid   28 and name  HB1) ( resid   28 and name   HN) 2.605 0.848 0.848 weight 1.000 ! spec=Expt_6, no=625, id=565, vol=1.134596e+07
assign ( resid   28 and name  HB2) ( resid   28 and name   HN) 3.541 1.567 1.567 weight 1.000 ! spec=Expt_6, no=626, id=566, vol=6.326021e+06
assign ( resid   19 and name  HB1) ( resid   19 and name   HN) 2.789 0.973 0.973 weight 1.000 ! spec=Expt_6, no=627, id=567, vol=1.525211e+07
assign ( resid   19 and name  HB2) ( resid   19 and name   HN) 3.018 0.731 0.731 weight 1.000 ! spec=Expt_6, no=628, id=568, vol=1.770347e+07
assign ( resid   25 and name   HN) ( resid   24 and name  HB1) 2.702 0.913 0.913 weight 1.000 ! spec=Expt_6, no=629, id=569, vol=9.589838e+06
assign ( resid   33 and name  HB1) ( resid   33 and name   HN) 2.540 0.806 0.806 weight 1.000 ! spec=Expt_6, no=631, id=571, vol=1.759475e+07
assign ( resid   18 and name   HN) ( resid   18 and name   HA) 2.510 0.787 0.787 weight 1.000 ! spec=Expt_6, no=632, id=572, vol=1.811325e+07
assign ( resid   17 and name   HA) ( resid   17 and name   HN) 2.671 0.892 0.892 weight 1.000 ! spec=Expt_6, no=634, id=574, vol=1.244069e+07
assign ( resid   23 and name   HN) ( resid   20 and name   HA) 3.262 1.330 1.330 weight 1.000 ! spec=Expt_6, no=635, id=575, vol=3.889783e+06
assign ( resid   23 and name   HA) ( resid   23 and name   HN) 2.704 0.914 0.914 weight 1.000 ! spec=Expt_6, no=636, id=576, vol=1.212273e+07
assign ( resid   22 and name   HA) ( resid   23 and name   HN) 3.251 1.321 1.321 weight 1.000 ! spec=Expt_6, no=637, id=577, vol=4.423547e+06
assign ( resid   23 and name  HB2) ( resid   23 and name   HN) 2.715 0.922 0.922 weight 1.000 ! spec=Expt_6, no=638, id=578, vol=1.013643e+07
assign ( resid   19 and name   HA) ( resid   19 and name   HN) 2.557 0.817 0.817 weight 1.000 ! spec=Expt_6, no=639, id=579, vol=1.668827e+07
assign ( resid   25 and name   HN) ( resid   22 and name   HA) 3.060 1.170 1.170 weight 1.000 ! spec=Expt_6, no=641, id=581, vol=5.585446e+06
assign ( resid   25 and name   HA) ( resid   25 and name   HN) 2.586 0.836 0.836 weight 1.000 ! spec=Expt_6, no=642, id=582, vol=1.455914e+07
assign ( resid   28 and name   HN) ( resid   25 and name   HA) 3.078 1.184 1.184 weight 1.000 ! spec=Expt_6, no=643, id=583, vol=5.477178e+06
assign ( resid    4 and name  HB2) ( resid    4 and name   HN) 2.594 0.841 0.841 weight 1.000 ! spec=Expt_6, no=644, id=584, vol=1.285624e+07
assign ( resid   30 and name   HA) ( resid   30 and name   HN) 2.818 0.992 0.992 weight 1.000 ! spec=Expt_6, no=646, id=586, vol=9.359453e+06
assign ( resid    8 and name  HB1) ( resid    8 and name  HD2) 2.825 0.675 0.675 weight 1.000 ! spec=Expt_6, no=657, id=595, vol=2.424264e+07
assign ( resid    2 and name  HD1) ( resid    2 and name  HG1) 3.220 1.296 1.296 weight 1.000 ! spec=Expt_6, no=658, id=596, vol=7.037410e+06
assign ( resid   16 and name  HB2) ( resid   16 and name   HA) 2.476 0.766 0.766 weight 1.000 ! spec=Expt_6, no=661, id=599, vol=1.620532e+07
assign ( resid    2 and name  HB1) ( resid    2 and name  HB2) 1.995 0.497 0.497 weight 1.000 ! spec=Expt_6, no=665, id=603, vol=4.101469e+07
assign ( resid   18 and name   HA) ( resid   17 and name  HB2) 3.327 1.071 1.071 weight 1.000 ! spec=Expt_6, no=667, id=605, vol=7.618253e+06
assign ( resid    9 and name  HA2) ( resid    9 and name   HN) 2.743 0.941 0.941 weight 1.000 ! spec=Expt_6, no=671, id=609, vol=1.590877e+07
assign ( resid   34 and name  HB2) ( resid   34 and name   HN) 2.621 0.859 0.859 weight 1.000 ! spec=Expt_6, no=675, id=613, vol=1.410318e+07
assign ( resid   27 and name  HE1) ( resid    2 and name  HG1) 3.399 1.201 1.201 weight 1.000 ! spec=Expt_6, no=677, id=615, vol=4.877298e+06
    or ( resid   27 and name  HE2) ( resid    2 and name  HG1)
assign ( resid   13 and name   HN) ( resid    8 and name  HB1) 3.825 1.467 1.467 weight 1.000 ! spec=Expt_6, no=679, id=617, vol=5.111334e+06
assign ( resid   29 and name   HN) ( resid   28 and name  HB1) 3.136 1.229 1.229 weight 1.000 ! spec=Expt_6, no=680, id=618, vol=4.626699e+06
assign ( resid   28 and name  HG1) ( resid   27 and name  HD1) 3.262 1.330 1.330 weight 1.000 ! spec=Expt_6, no=681, id=619, vol=4.231430e+06
assign ( resid   28 and name  HG2) ( resid   27 and name  HD1) 3.094 1.196 1.196 weight 1.000 ! spec=Expt_6, no=682, id=620, vol=4.529524e+06
assign ( resid   23 and name   HN) ( resid   23 and name  HB1) 3.252 1.322 1.322 weight 1.000 ! spec=Expt_6, no=685, id=623, vol=5.416163e+06
assign ( resid   18 and name   HN) ( resid   17 and name  HB2) 2.803 0.982 0.982 weight 1.000 ! spec=Expt_6, no=688, id=626, vol=8.271264e+06
assign ( resid   25 and name   HN) ( resid   24 and name  HB2) 3.860 1.863 1.863 weight 1.000 ! spec=Expt_6, no=692, id=628, vol=3.776002e+06
assign ( resid   23 and name   HA) ( resid   26 and name   HN) 3.241 1.313 1.313 weight 1.000 ! spec=Expt_6, no=716, id=646, vol=4.679804e+06
assign ( resid    4 and name   HA) ( resid    4 and name  HB2) 3.024 1.143 1.143 weight 1.000 ! spec=Expt_6, no=722, id=652, vol=4.748244e+06
assign ( resid    4 and name   HA) ( resid    4 and name  HB1) 2.922 1.068 1.068 weight 1.000 ! spec=Expt_6, no=725, id=653, vol=6.696382e+06
assign ( resid   27 and name  HB2) ( resid   28 and name   HN) 4.027 2.027 2.027 weight 1.000 ! spec=Expt_6, no=727, id=655, vol=2.887688e+06
assign ( resid    0 and name  HA1) ( resid   34 and name  HB2) 3.390 1.437 1.437 weight 1.000 ! spec=Expt_6, no=739, id=666, vol=4.771722e+06
    or ( resid    0 and name  HA2) ( resid   34 and name  HB2)
    or ( resid    0 and name  HA3) ( resid   34 and name  HB2)
assign ( resid    8 and name  HG1) ( resid    8 and name   HA) 3.299 1.360 1.360 weight 1.000 ! spec=Expt_6, no=752, id=674, vol=3.527929e+06
assign ( resid    8 and name  HG2) ( resid    8 and name   HA) 3.807 1.811 1.811 weight 1.000 ! spec=Expt_6, no=753, id=675, vol=3.358832e+06
assign ( resid   31 and name   HA) ( resid    2 and name  HG1) 3.499 1.530 1.530 weight 1.000 ! spec=Expt_6, no=759, id=678, vol=2.627528e+06
assign ( resid   31 and name   HA) ( resid    2 and name  HG2) 3.057 1.168 1.168 weight 1.000 ! spec=Expt_6, no=761, id=679, vol=4.479209e+06
assign ( resid   16 and name   HN) ( resid   15 and name  HB2) 3.510 1.540 1.540 weight 1.000 ! spec=Expt_6, no=765, id=682, vol=4.847577e+06
assign ( resid    7 and name  HD1) ( resid    7 and name   HN) 3.729 1.738 1.738 weight 1.000 ! spec=Expt_6, no=768, id=683, vol=4.123089e+06
assign ( resid   31 and name   HN) ( resid   28 and name   HA) 3.616 1.634 1.634 weight 1.000 ! spec=Expt_6, no=771, id=686, vol=2.555838e+06
assign ( resid   27 and name  HE1) ( resid    4 and name  HG2) 3.284 1.348 1.348 weight 1.000 ! spec=Expt_6, no=774, id=688, vol=3.054716e+06
assign ( resid   27 and name  HD2) ( resid    4 and name   HA) 3.278 1.344 1.344 weight 1.000 ! spec=Expt_6, no=775, id=689, vol=3.635531e+06
assign ( resid   15 and name  HB2) ( resid   15 and name  HG1) 2.811 0.988 0.988 weight 1.000 ! spec=Expt_6, no=780, id=693, vol=1.703130e+07
assign ( resid    4 and name   HN) ( resid    4 and name  HG1) 4.572 2.613 2.613 weight 1.000 ! spec=Expt_6, no=790, id=697, vol=1.052643e+06
assign ( resid    4 and name  HG1) ( resid    4 and name   HA) 3.058 1.169 1.169 weight 1.000 ! spec=Expt_6, no=792, id=699, vol=5.582497e+06
assign ( resid    5 and name  HD1) ( resid    4 and name  HG1) 4.361 2.378 2.378 weight 1.000 ! spec=Expt_6, no=793, id=700, vol=2.142312e+06
assign ( resid    4 and name  HG1) ( resid   27 and name  HE1) 4.192 2.197 2.197 weight 1.000 ! spec=Expt_6, no=794, id=701, vol=1.450580e+06
# Restraints file 2: ambig_VQVJbGP.tbl
assign ( resid    9 and name  HA2) ( resid   10 and name   HA) 3.988 1.988 1.988 weight 1.000 ! spec=Expt_16, no=54, id=737, vol=7.029659e+06
    or ( resid    9 and name  HA2) ( resid    8 and name   HA)
assign ( resid    3 and name   HB) ( resid    5 and name   HA) 4.048 2.048 2.048 weight 1.000 ! spec=Expt_16, no=55, id=738, vol=8.234514e+06
    or ( resid    6 and name   HB) ( resid    5 and name   HA)
assign ( resid   24 and name   HA) ( resid    5 and name  HG2) 3.170 1.256 1.256 weight 1.000 ! spec=Expt_16, no=84, id=760, vol=1.585344e+07
    or ( resid   24 and name   HA) ( resid   24 and name  HB1)
assign ( resid   23 and name   HA) ( resid   26 and name  HG2) 3.285 1.349 1.349 weight 1.000 ! spec=Expt_16, no=182, id=819, vol=9.924211e+06
    or ( resid   23 and name   HA) ( resid   26 and name  HG1)
    or ( resid   33 and name   HA) ( resid   32 and name  HB3)
    or ( resid   33 and name   HA) ( resid   32 and name  HB2)
    or ( resid   33 and name   HA) ( resid   32 and name  HB1)
assign ( resid    8 and name   HA) ( resid   12 and name  HB2) 3.319 1.377 1.377 weight 1.000 ! spec=Expt_16, no=192, id=823, vol=9.833080e+06
    or ( resid    8 and name   HA) ( resid   12 and name  HB1)
    or ( resid    8 and name   HA) ( resid   12 and name  HB3)
    or ( resid   10 and name   HA) ( resid   12 and name  HB2)
    or ( resid   10 and name   HA) ( resid   12 and name  HB1)
    or ( resid   10 and name   HA) ( resid   12 and name  HB3)
assign ( resid    2 and name  HD1) ( resid    1 and name  HB1) 4.217 2.223 2.223 weight 1.000 ! spec=Expt_16, no=203, id=831, vol=6.633696e+06
    or ( resid    2 and name  HD1) ( resid    1 and name  HG2)
assign ( resid    7 and name   HA) ( resid    8 and name  HB1) 4.319 2.332 2.332 weight 1.000 ! spec=Expt_16, no=206, id=834, vol=5.373394e+06
    or ( resid   20 and name  HB1) ( resid    8 and name  HB1)
assign ( resid    4 and name   HA) ( resid    5 and name  HG2) 3.519 1.548 1.548 weight 1.000 ! spec=Expt_16, no=229, id=850, vol=1.796264e+07
    or ( resid   23 and name  HB2) ( resid   22 and name  HB2)
    or ( resid   23 and name  HB2) ( resid   22 and name  HB1)
    or ( resid   23 and name  HB2) ( resid   22 and name  HB3)
    or ( resid   23 and name  HB2) ( resid   24 and name  HB1)
assign ( resid   11 and name  HB2) ( resid   19 and name  HG2) 3.851 1.321 1.321 weight 1.000 ! spec=Expt_16, no=233, id=853, vol=1.204185e+07
    or ( resid   11 and name  HB1) ( resid   18 and name  HB2)
    or ( resid   11 and name  HB1) ( resid   18 and name  HB1)
    or ( resid   11 and name  HB1) ( resid   18 and name  HB3)
    or ( resid   11 and name  HB1) ( resid   19 and name  HG2)
    or ( resid   11 and name  HB1) ( resid   19 and name  HG1)
    or ( resid   23 and name  HB2) ( resid   19 and name  HG2)
    or ( resid   23 and name  HB2) ( resid   19 and name  HG1)
    or ( resid   23 and name  HB2) ( resid   25 and name  HB3)
    or ( resid   23 and name  HB2) ( resid   25 and name  HB2)
    or ( resid   23 and name  HB2) ( resid   25 and name  HB1)
    or ( resid   23 and name  HB2) ( resid   26 and name  HG2)
    or ( resid   23 and name  HB2) ( resid   26 and name  HG1)
assign ( resid    7 and name   HA) ( resid   24 and name HD12) 3.537 1.564 1.564 weight 1.000 ! spec=Expt_16, no=262, id=860, vol=8.275716e+06
    or ( resid    7 and name   HA) ( resid   24 and name HD13)
    or ( resid    7 and name   HA) ( resid   24 and name HD11)
    or ( resid   20 and name  HB1) ( resid   24 and name HD21)
    or ( resid   20 and name  HB1) ( resid   24 and name HD22)
    or ( resid   20 and name  HB1) ( resid   24 and name HD23)
    or ( resid   27 and name  HB2) ( resid   24 and name HD12)
    or ( resid   27 and name  HB2) ( resid   24 and name HD13)
    or ( resid   27 and name  HB2) ( resid   24 and name HD11)
assign ( resid    2 and name  HD2) ( resid   31 and name HD22) 2.955 1.091 1.091 weight 1.000 ! spec=Expt_16, no=264, id=861, vol=1.141678e+07
    or ( resid    2 and name  HD2) ( resid   31 and name HD21)
    or ( resid    2 and name  HD2) ( resid   31 and name HD23)
    or ( resid   34 and name  HB1) ( resid   31 and name HD22)
    or ( resid   34 and name  HB1) ( resid   31 and name HD21)
    or ( resid   34 and name  HB1) ( resid   31 and name HD23)
assign ( resid    4 and name  HG1) ( resid    4 and name   HA) 3.209 1.287 1.287 weight 1.000 ! spec=Expt_16, no=267, id=863, vol=9.749497e+06
    or ( resid    4 and name  HE2) ( resid    4 and name  HG1)
assign ( resid   24 and name HD12) ( resid    5 and name  HG2) 2.175 0.591 0.591 weight 1.000 ! spec=Expt_16, no=291, id=879, vol=3.793639e+07
    or ( resid   24 and name HD13) ( resid    5 and name  HG2)
    or ( resid   24 and name HD11) ( resid    5 and name  HG2)
    or ( resid   24 and name HD21) ( resid   24 and name  HB1)
    or ( resid   24 and name HD22) ( resid   24 and name  HB1)
    or ( resid   24 and name HD23) ( resid   24 and name  HB1)
assign ( resid   24 and name HD12) ( resid   24 and name  HB2) 2.202 0.606 0.606 weight 1.000 ! spec=Expt_16, no=307, id=888, vol=3.037394e+07
    or ( resid   24 and name HD13) ( resid   24 and name  HB2)
    or ( resid   24 and name HD11) ( resid   24 and name  HB2)
    or ( resid   24 and name HD21) ( resid   24 and name  HB2)
    or ( resid   24 and name HD22) ( resid   24 and name  HB2)
    or ( resid   24 and name HD23) ( resid   24 and name  HB2)
assign ( resid    4 and name  HG1) ( resid    4 and name  HB1) 2.657 0.883 0.883 weight 1.000 ! spec=Expt_16, no=333, id=900, vol=1.881481e+07
    or ( resid    4 and name  HG1) ( resid    4 and name  HD2)
    or ( resid    4 and name  HG1) ( resid    4 and name  HD1)
assign ( resid   14 and name  HB1) ( resid   14 and name  HG2) 2.704 0.914 0.914 weight 1.000 ! spec=Expt_16, no=344, id=911, vol=2.122756e+07
    or ( resid   14 and name  HB2) ( resid   14 and name  HG2)
assign ( resid   20 and name H33A) ( resid    7 and name  HE2) 3.300 1.051 1.051 weight 1.000 ! spec=Expt_16, no=357, id=924, vol=9.820915e+06
    or ( resid   20 and name  H33) ( resid    7 and name  HE2)
    or ( resid   20 and name H33B) ( resid    7 and name  HE2)
    or ( resid   20 and name H33A) ( resid    7 and name  HE1)
    or ( resid   20 and name  H33) ( resid    7 and name  HE1)
    or ( resid   20 and name H33B) ( resid    7 and name  HE1)
assign ( resid   11 and name  HB2) ( resid   11 and name   HA) 2.255 0.636 0.636 weight 1.000 ! spec=Expt_16, no=400, id=965, vol=6.401298e+07
    or ( resid   11 and name  HB1) ( resid   11 and name   HA)
assign ( resid   10 and name   HA) ( resid   10 and name  HB2) 2.689 0.904 0.904 weight 1.000 ! spec=Expt_16, no=407, id=970, vol=2.668025e+07
    or ( resid   30 and name  HB2) ( resid   30 and name   HA)
assign ( resid   18 and name  HB2) ( resid   15 and name   HA) 3.061 0.757 0.757 weight 1.000 ! spec=Expt_16, no=438, id=988, vol=4.294669e+07
    or ( resid   18 and name  HB1) ( resid   15 and name   HA)
    or ( resid   18 and name  HB3) ( resid   15 and name   HA)
    or ( resid   16 and name   HA) ( resid   18 and name  HB2)
    or ( resid   16 and name   HA) ( resid   18 and name  HB1)
    or ( resid   16 and name   HA) ( resid   18 and name  HB3)
    or ( resid   18 and name  HB2) ( resid   17 and name   HA)
    or ( resid   18 and name  HB1) ( resid   17 and name   HA)
    or ( resid   18 and name  HB3) ( resid   17 and name   HA)
    or ( resid   16 and name   HA) ( resid   19 and name  HG2)
assign ( resid   20 and name   HN) ( resid   21 and name HE21) 3.850 1.853 1.853 weight 1.000 ! spec=Expt_16, no=500, id=1047, vol=7.529942e+06
    or ( resid   22 and name   HN) ( resid   21 and name HE21)
assign ( resid   15 and name   HN) ( resid   13 and name   HB) 2.948 1.087 1.087 weight 1.000 ! spec=Expt_16, no=507, id=1053, vol=1.154387e+07
    or ( resid   15 and name   HN) ( resid   14 and name   HA)
assign ( resid   15 and name   HN) ( resid   13 and name   HA) 3.553 1.578 1.578 weight 1.000 ! spec=Expt_16, no=514, id=1060, vol=6.053726e+06
    or ( resid   24 and name   HN) ( resid   20 and name   HA)
assign ( resid   19 and name   HN) ( resid   18 and name   HA) 3.111 1.210 1.210 weight 1.000 ! spec=Expt_16, no=540, id=1078, vol=1.067787e+07
    or ( resid   21 and name   HN) ( resid   18 and name   HA)
assign ( resid   34 and name   HA) ( resid   34 and name   HN) 2.399 0.720 0.720 weight 1.000 ! spec=Expt_16, no=543, id=1080, vol=4.900732e+07
    or ( resid   22 and name   HN) ( resid   22 and name   HA)
assign ( resid   17 and name   HN) ( resid   16 and name   HA) 2.809 0.986 0.986 weight 1.000 ! spec=Expt_16, no=556, id=1090, vol=1.790137e+07
    or ( resid   17 and name   HA) ( resid   17 and name   HN)
assign ( resid   34 and name  HD1) ( resid    1 and name   HA) 3.195 1.276 1.276 weight 1.000 ! spec=Expt_16, no=589, id=1118, vol=8.275920e+06
    or ( resid   34 and name  HE1) ( resid    1 and name   HA)
assign ( resid   27 and name  HD2) ( resid    5 and name  HD1) 3.423 1.464 1.464 weight 1.000 ! spec=Expt_16, no=591, id=1120, vol=8.266576e+06
    or ( resid   27 and name  HD1) ( resid    5 and name  HD1)
assign ( resid   27 and name  HE1) ( resid   27 and name  HB1) 3.845 1.848 1.848 weight 1.000 ! spec=Expt_16, no=595, id=1124, vol=1.110324e+07
    or ( resid   27 and name  HE2) ( resid    2 and name  HD1)
    or ( resid   27 and name  HE2) ( resid   27 and name  HB1)
assign ( resid   34 and name  HD1) ( resid    2 and name  HD1) 3.668 1.682 1.682 weight 1.000 ! spec=Expt_16, no=597, id=1126, vol=6.516702e+06
    or ( resid   34 and name  HD2) ( resid    2 and name  HD1)
assign ( resid   27 and name  HD2) ( resid    2 and name  HD2) 4.407 2.428 2.428 weight 1.000 ! spec=Expt_16, no=607, id=1134, vol=5.460136e+06
    or ( resid   27 and name  HD2) ( resid   34 and name  HB1)
assign ( resid   34 and name  HB1) ( resid   34 and name  HD2) 2.422 0.733 0.733 weight 1.000 ! spec=Expt_16, no=609, id=1136, vol=4.316046e+07
    or ( resid   20 and name  HD1) ( resid   20 and name  HB2)
    or ( resid   20 and name  HD2) ( resid   20 and name  HB2)
assign ( resid   20 and name  HE1) ( resid   20 and name  HB2) 4.238 2.245 2.245 weight 1.000 ! spec=Expt_16, no=613, id=1139, vol=5.195588e+06
    or ( resid   20 and name  HE2) ( resid   20 and name  HB2)
assign ( resid    5 and name  HD2) ( resid   27 and name  HD1) 3.174 1.260 1.260 weight 1.000 ! spec=Expt_16, no=615, id=1140, vol=9.778600e+06
    or ( resid    5 and name  HD2) ( resid   27 and name  HD2)
assign ( resid   11 and name  HB2) ( resid   11 and name HD21) 3.056 1.167 1.167 weight 1.000 ! spec=Expt_16, no=623, id=1147, vol=2.256501e+07
    or ( resid   11 and name  HB1) ( resid   11 and name HD21)
    or ( resid   27 and name  HE2) ( resid    4 and name   HA)
assign ( resid    8 and name  HD1) ( resid   20 and name  HD1) 2.908 1.057 1.057 weight 1.000 ! spec=Expt_16, no=629, id=1152, vol=1.351235e+07
    or ( resid   23 and name  HB2) ( resid   20 and name  HD1)
    or ( resid    8 and name  HD1) ( resid   20 and name  HD2)
assign ( resid   20 and name  HE1) ( resid    8 and name  HD1) 3.219 1.295 1.295 weight 1.000 ! spec=Expt_16, no=630, id=1153, vol=6.522989e+06
    or ( resid   20 and name  HE2) ( resid    8 and name  HD1)
assign ( resid   27 and name  HE1) ( resid   27 and name H33A) 1.677 0.352 0.352 weight 1.000 ! spec=Expt_16, no=673, id=1176, vol=1.268072e+08
    or ( resid   27 and name  HE1) ( resid   27 and name H33B)
    or ( resid   27 and name  HE1) ( resid   27 and name  H33)
    or ( resid   27 and name  HE2) ( resid   27 and name H33A)
    or ( resid   27 and name  HE2) ( resid   27 and name H33B)
    or ( resid   27 and name  HE2) ( resid   27 and name  H33)
assign ( resid   20 and name  HE1) ( resid   20 and name H33A) 1.710 0.366 0.366 weight 1.000 ! spec=Expt_16, no=675, id=1178, vol=9.946877e+07
    or ( resid   20 and name  HE1) ( resid   20 and name  H33)
    or ( resid   20 and name  HE1) ( resid   20 and name H33B)
    or ( resid   20 and name  HE2) ( resid   20 and name H33A)
    or ( resid   20 and name  HE2) ( resid   20 and name  H33)
    or ( resid   20 and name  HE2) ( resid   20 and name H33B)
assign ( resid   34 and name  HE1) ( resid   34 and name  H33) 1.907 0.455 0.455 weight 1.000 ! spec=Expt_16, no=676, id=1179, vol=1.083445e+08
    or ( resid   34 and name  HE1) ( resid   34 and name H33B)
    or ( resid   34 and name  HE1) ( resid   34 and name H33A)
    or ( resid   34 and name  HE2) ( resid   34 and name  H33)
    or ( resid   34 and name  HE2) ( resid   34 and name H33B)
    or ( resid   34 and name  HE2) ( resid   34 and name H33A)
assign ( resid   34 and name  HD1) ( resid    1 and name  HB1) 3.147 1.238 1.238 weight 1.000 ! spec=Expt_16, no=725, id=1214, vol=1.229143e+07
    or ( resid   34 and name  HE1) ( resid    1 and name  HB1)
    or ( resid   34 and name  HE1) ( resid    1 and name  HG2)
assign ( resid   21 and name   HN) ( resid   22 and name  HB2) 3.154 1.243 1.243 weight 1.000 ! spec=Expt_16, no=760, id=1225, vol=1.696886e+07
    or ( resid   21 and name   HN) ( resid   22 and name  HB1)
    or ( resid   21 and name   HN) ( resid   22 and name  HB3)
    or ( resid   21 and name   HN) ( resid   24 and name  HB1)
assign ( resid   23 and name   HN) ( resid   19 and name  HG2) 3.613 1.632 1.632 weight 1.000 ! spec=Expt_16, no=765, id=1226, vol=5.649813e+06
    or ( resid   23 and name   HN) ( resid   19 and name  HG1)
    or ( resid   23 and name   HN) ( resid   25 and name  HB3)
    or ( resid   23 and name   HN) ( resid   25 and name  HB2)
    or ( resid   23 and name   HN) ( resid   25 and name  HB1)
    or ( resid   23 and name   HN) ( resid   26 and name  HG2)
assign ( resid   15 and name   HN) ( resid   18 and name  HB2) 3.616 1.635 1.635 weight 1.000 ! spec=Expt_16, no=767, id=1227, vol=8.491754e+06
    or ( resid   15 and name   HN) ( resid   18 and name  HB1)
    or ( resid   15 and name   HN) ( resid   18 and name  HB3)
    or ( resid   24 and name   HN) ( resid   25 and name  HB3)
    or ( resid   24 and name   HN) ( resid   25 and name  HB2)
    or ( resid   24 and name   HN) ( resid   25 and name  HB1)
assign ( resid   26 and name   HN) ( resid   25 and name  HB3) 2.414 0.729 0.729 weight 1.000 ! spec=Expt_16, no=768, id=1228, vol=3.912446e+07
    or ( resid   26 and name   HN) ( resid   25 and name  HB2)
    or ( resid   26 and name   HN) ( resid   25 and name  HB1)
    or ( resid   26 and name  HG2) ( resid   26 and name   HN)
assign ( resid   19 and name   HN) ( resid   18 and name  HB2) 2.504 0.784 0.784 weight 1.000 ! spec=Expt_16, no=772, id=1232, vol=3.474280e+07
    or ( resid   19 and name   HN) ( resid   18 and name  HB1)
    or ( resid   19 and name   HN) ( resid   18 and name  HB3)
    or ( resid   19 and name  HG2) ( resid   19 and name   HN)
assign ( resid   24 and name   HN) ( resid   24 and name HD12) 3.453 1.491 1.491 weight 1.000 ! spec=Expt_16, no=815, id=1257, vol=1.343201e+07
    or ( resid   24 and name   HN) ( resid   24 and name HD13)
    or ( resid   24 and name   HN) ( resid   24 and name HD11)
    or ( resid   24 and name   HN) ( resid   24 and name HD21)
    or ( resid   24 and name   HN) ( resid   24 and name HD22)
    or ( resid   24 and name   HN) ( resid   24 and name HD23)
assign ( resid   25 and name   HN) ( resid   24 and name HD12) 3.574 1.596 1.596 weight 1.000 ! spec=Expt_16, no=816, id=1258, vol=8.359108e+06
    or ( resid   25 and name   HN) ( resid   24 and name HD13)
    or ( resid   25 and name   HN) ( resid   24 and name HD11)
    or ( resid   25 and name   HN) ( resid   24 and name HD21)
    or ( resid   25 and name   HN) ( resid   24 and name HD22)
    or ( resid   25 and name   HN) ( resid   24 and name HD23)
assign ( resid   20 and name  HD2) ( resid   24 and name HD12) 3.072 1.180 1.180 weight 1.000 ! spec=Expt_16, no=818, id=1260, vol=1.116423e+07
    or ( resid   20 and name  HD2) ( resid   24 and name HD13)
    or ( resid   20 and name  HD2) ( resid   24 and name HD11)
    or ( resid   20 and name  HD2) ( resid   24 and name HD21)
    or ( resid   20 and name  HD2) ( resid   24 and name HD22)
    or ( resid   20 and name  HD2) ( resid   24 and name HD23)
assign ( resid   27 and name  HD1) ( resid   31 and name HD22) 3.074 0.962 0.962 weight 1.000 ! spec=Expt_16, no=823, id=1264, vol=1.799311e+07
    or ( resid   27 and name  HD1) ( resid   31 and name HD21)
    or ( resid   27 and name  HD1) ( resid   31 and name HD23)
    or ( resid   27 and name  HD2) ( resid   31 and name HD22)
    or ( resid   27 and name  HD2) ( resid   31 and name HD21)
    or ( resid   27 and name  HD2) ( resid   31 and name HD23)
assign ( resid   31 and name HD22) ( resid   27 and name  HE1) 2.852 0.634 0.634 weight 1.000 ! spec=Expt_16, no=826, id=1267, vol=3.315150e+07
    or ( resid   31 and name HD21) ( resid   27 and name  HE1)
    or ( resid   31 and name HD23) ( resid   27 and name  HE1)
    or ( resid   31 and name HD22) ( resid   27 and name  HE2)
    or ( resid   31 and name HD21) ( resid   27 and name  HE2)
    or ( resid   31 and name HD23) ( resid   27 and name  HE2)
assign ( resid   12 and name   HN) ( resid   11 and name  HB2) 3.553 1.578 1.578 weight 1.000 ! spec=Expt_16, no=830, id=1268, vol=7.473148e+06
    or ( resid   12 and name   HN) ( resid   11 and name  HB1)
assign ( resid   20 and name   HN) ( resid   20 and name  HB2) 2.649 0.877 0.877 weight 1.000 ! spec=Expt_16, no=856, id=1290, vol=2.392671e+07
    or ( resid   34 and name  HB1) ( resid   34 and name   HN)
assign ( resid   20 and name  HD1) ( resid    8 and name  HG1) 3.133 1.227 1.227 weight 1.000 ! spec=Expt_16, no=899, id=1316, vol=1.100701e+07
    or ( resid   20 and name  HD1) ( resid    8 and name  HG2)
    or ( resid   20 and name  HD2) ( resid    8 and name  HG2)
assign ( resid   27 and name  HD2) ( resid   27 and name H33A) 3.013 0.789 0.789 weight 1.000 ! spec=Expt_16, no=918, id=1325, vol=4.781125e+07
    or ( resid   27 and name  HD2) ( resid   27 and name H33B)
    or ( resid   27 and name  HD2) ( resid   27 and name  H33)
    or ( resid   27 and name  HD1) ( resid   27 and name H33A)
    or ( resid   27 and name  HD1) ( resid   27 and name H33B)
    or ( resid   27 and name  HD1) ( resid   27 and name  H33)
assign ( resid   20 and name  HE2) ( resid   24 and name HD21) 2.797 0.978 0.978 weight 1.000 ! spec=Expt_16, no=983, id=1369, vol=1.335718e+07
    or ( resid   20 and name  HE2) ( resid   24 and name HD22)
    or ( resid   20 and name  HE2) ( resid   24 and name HD23)
    or ( resid   24 and name HD21) ( resid   28 and name HE22)
    or ( resid   24 and name HD22) ( resid   28 and name HE22)
    or ( resid   24 and name HD23) ( resid   28 and name HE22)
assign ( resid   15 and name   HN) ( resid   14 and name  HD1) 2.798 0.979 0.979 weight 1.000 ! spec=Expt_16, no=988, id=1374, vol=1.496937e+07
    or ( resid   24 and name   HN) ( resid   24 and name   HA)
assign ( resid    8 and name   HA) ( resid   11 and name   HN) 3.480 1.513 1.513 weight 1.000 ! spec=Expt_16, no=999, id=1382, vol=9.673013e+06
    or ( resid   10 and name   HA) ( resid   11 and name   HN)
assign ( resid   19 and name   HA) ( resid   19 and name   HN) 2.681 0.899 0.899 weight 1.000 ! spec=Expt_16, no=1024, id=1401, vol=2.561350e+07
    or ( resid   16 and name   HA) ( resid   19 and name   HN)
assign ( resid   19 and name   HA) ( resid   20 and name   HN) 2.439 0.744 0.744 weight 1.000 ! spec=Expt_16, no=1028, id=1403, vol=4.529244e+07
    or ( resid   22 and name   HN) ( resid   22 and name   HA)
    or ( resid   34 and name   HA) ( resid   34 and name   HN)
assign ( resid   29 and name   HA) ( resid   29 and name   HN) 2.744 0.941 0.941 weight 1.000 ! spec=Expt_16, no=1036, id=1408, vol=2.168020e+07
    or ( resid   29 and name   HN) ( resid   26 and name   HA)
assign ( resid   27 and name  HD1) ( resid    4 and name  HG1) 3.733 1.742 1.742 weight 1.000 ! spec=Expt_16, no=1092, id=1454, vol=7.539658e+06
    or ( resid   27 and name  HD2) ( resid    4 and name  HG1)
assign ( resid   28 and name  HG1) ( resid   24 and name HD12) 3.676 1.689 1.689 weight 1.000 ! spec=Expt_16, no=1099, id=1459, vol=5.943298e+06
    or ( resid   28 and name  HG1) ( resid   24 and name HD13)
    or ( resid   28 and name  HG1) ( resid   24 and name HD11)
    or ( resid   28 and name  HG1) ( resid   24 and name HD21)
    or ( resid   28 and name  HG1) ( resid   24 and name HD22)
    or ( resid   28 and name  HG1) ( resid   24 and name HD23)
assign ( resid    8 and name  HD1) ( resid   17 and name HD13) 3.952 1.953 1.953 weight 1.000 ! spec=Expt_16, no=1104, id=1464, vol=4.822831e+06
    or ( resid    8 and name  HD1) ( resid   17 and name HD12)
    or ( resid    8 and name  HD1) ( resid   17 and name HD11)
    or ( resid   11 and name  HB2) ( resid   17 and name HD13)
    or ( resid   11 and name  HB2) ( resid   17 and name HD12)
    or ( resid   11 and name  HB2) ( resid   17 and name HD11)
assign ( resid   20 and name  HD1) ( resid    8 and name  HG1) 2.965 1.099 1.099 weight 1.000 ! spec=Expt_16, no=1127, id=1485, vol=1.791236e+07
    or ( resid   20 and name  HD1) ( resid    8 and name  HG2)
    or ( resid   20 and name  HD2) ( resid    8 and name  HG2)
    or ( resid   34 and name  HD2) ( resid    2 and name  HG2)
assign ( resid   20 and name  HD1) ( resid    5 and name  HG2) 3.862 1.865 1.865 weight 1.000 ! spec=Expt_16, no=1128, id=1486, vol=6.168491e+06
    or ( resid   20 and name  HD1) ( resid   24 and name  HB1)
    or ( resid   20 and name  HD2) ( resid   24 and name  HB1)
assign ( resid    7 and name   HN) ( resid    7 and name  HD2) 3.243 1.315 1.315 weight 1.000 ! spec=Expt_6, no=10, id=7, vol=1.396753e+07
    or ( resid   11 and name   HN) ( resid   13 and name HG22)
    or ( resid   11 and name   HN) ( resid   13 and name HG21)
    or ( resid   11 and name   HN) ( resid   13 and name HG23)
assign ( resid   34 and name  HD1) ( resid   34 and name  HB2) 2.581 0.832 0.832 weight 1.000 ! spec=Expt_6, no=120, id=115, vol=1.998351e+07
    or ( resid   34 and name  HD2) ( resid   34 and name  HB2)
assign ( resid   27 and name  HD1) ( resid   27 and name   HN) 4.023 2.023 2.023 weight 1.000 ! spec=Expt_6, no=132, id=127, vol=2.941382e+06
    or ( resid   27 and name  HD2) ( resid   27 and name   HN)
assign ( resid   20 and name  HE2) ( resid    7 and name   HA) 2.957 1.093 1.093 weight 1.000 ! spec=Expt_6, no=138, id=133, vol=7.557706e+06
    or ( resid   20 and name  HE1) ( resid    7 and name   HA)
assign ( resid   20 and name   HN) ( resid   20 and name  HD1) 3.103 1.204 1.204 weight 1.000 ! spec=Expt_6, no=156, id=151, vol=1.399926e+07
    or ( resid   20 and name   HN) ( resid   20 and name  HD2)
    or ( resid   34 and name   HN) ( resid   34 and name  HD1)
    or ( resid   34 and name   HN) ( resid   34 and name  HD2)
assign ( resid   24 and name HD12) ( resid   20 and name H33A) 2.845 0.525 0.525 weight 1.000 ! spec=Expt_6, no=168, id=163, vol=4.904710e+07
    or ( resid   24 and name HD12) ( resid   20 and name  H33)
    or ( resid   24 and name HD12) ( resid   20 and name H33B)
    or ( resid   24 and name HD13) ( resid   20 and name H33A)
    or ( resid   24 and name HD13) ( resid   20 and name  H33)
    or ( resid   24 and name HD13) ( resid   20 and name H33B)
    or ( resid   24 and name HD11) ( resid   20 and name H33A)
    or ( resid   24 and name HD11) ( resid   20 and name  H33)
    or ( resid   24 and name HD11) ( resid   20 and name H33B)
    or ( resid   24 and name HD21) ( resid   20 and name H33A)
    or ( resid   24 and name HD21) ( resid   20 and name  H33)
    or ( resid   24 and name HD21) ( resid   20 and name H33B)
    or ( resid   24 and name HD22) ( resid   20 and name H33A)
    or ( resid   24 and name HD22) ( resid   20 and name  H33)
    or ( resid   24 and name HD22) ( resid   20 and name H33B)
    or ( resid   24 and name HD23) ( resid   20 and name H33A)
    or ( resid   24 and name HD23) ( resid   20 and name  H33)
    or ( resid   24 and name HD23) ( resid   20 and name H33B)
assign ( resid   11 and name  HB2) ( resid   11 and name HD21) 3.396 1.442 1.442 weight 1.000 ! spec=Expt_6, no=221, id=214, vol=7.744346e+06
    or ( resid   11 and name  HB1) ( resid   11 and name HD21)
assign ( resid   20 and name  HD1) ( resid   20 and name  HB2) 2.460 0.757 0.757 weight 1.000 ! spec=Expt_6, no=252, id=242, vol=2.033650e+07
    or ( resid   34 and name  HB1) ( resid   34 and name  HD2)
assign ( resid   20 and name  HE2) ( resid   20 and name  HD2) 2.041 0.521 0.521 weight 1.000 ! spec=Expt_6, no=255, id=245, vol=5.709063e+07
    or ( resid   20 and name  HD1) ( resid   20 and name  HE1)
assign ( resid    8 and name  HD1) ( resid    8 and name  HG1) 2.806 0.984 0.984 weight 1.000 ! spec=Expt_6, no=269, id=258, vol=7.975742e+06
    or ( resid    8 and name  HD1) ( resid    8 and name  HG2)
assign ( resid    8 and name  HG1) ( resid    8 and name  HB2) 2.753 0.948 0.948 weight 1.000 ! spec=Expt_6, no=270, id=259, vol=8.918314e+06
    or ( resid    8 and name  HG2) ( resid    8 and name  HB2)
assign ( resid   16 and name   HN) ( resid   14 and name   HA) 3.993 1.994 1.994 weight 1.000 ! spec=Expt_6, no=290, id=279, vol=1.850110e+06
    or ( resid   16 and name   HN) ( resid   13 and name   HB)
assign ( resid   14 and name  HB1) ( resid   14 and name  HD2) 3.743 1.751 1.751 weight 1.000 ! spec=Expt_6, no=301, id=289, vol=3.730740e+06
    or ( resid   14 and name  HB2) ( resid   14 and name  HD2)
assign ( resid   14 and name  HB1) ( resid   14 and name  HD1) 3.344 1.398 1.398 weight 1.000 ! spec=Expt_6, no=303, id=291, vol=3.727827e+06
    or ( resid   14 and name  HB2) ( resid   14 and name  HD1)
assign ( resid   26 and name  HB2) ( resid   27 and name   HA) 3.417 1.460 1.460 weight 1.000 ! spec=Expt_6, no=343, id=327, vol=5.712441e+06
    or ( resid   26 and name  HB2) ( resid   23 and name   HA)
assign ( resid   26 and name   HA) ( resid   26 and name  HB2) 2.312 0.668 0.668 weight 1.000 ! spec=Expt_6, no=358, id=340, vol=2.527772e+07
    or ( resid   29 and name   HA) ( resid   29 and name  HB2)
assign ( resid   26 and name   HA) ( resid   29 and name  HB1) 2.667 0.889 0.889 weight 1.000 ! spec=Expt_6, no=359, id=341, vol=1.532546e+07
    or ( resid   29 and name   HA) ( resid   29 and name  HB1)
assign ( resid   22 and name   HN) ( resid   21 and name  HB2) 3.039 1.154 1.154 weight 1.000 ! spec=Expt_6, no=449, id=422, vol=7.195586e+06
    or ( resid   22 and name   HN) ( resid   21 and name  HB1)
assign ( resid    8 and name  HD2) ( resid   20 and name  HD1) 3.113 1.211 1.211 weight 1.000 ! spec=Expt_6, no=455, id=428, vol=6.296179e+06
    or ( resid    8 and name  HD2) ( resid   20 and name  HD2)
assign ( resid    7 and name  HG2) ( resid    7 and name  HD1) 2.356 0.694 0.694 weight 1.000 ! spec=Expt_6, no=468, id=439, vol=2.285525e+07
    or ( resid    7 and name  HG1) ( resid    7 and name  HD1)
assign ( resid    4 and name  HG1) ( resid    4 and name  HD2) 2.475 0.766 0.766 weight 1.000 ! spec=Expt_6, no=469, id=440, vol=1.950534e+07
    or ( resid    4 and name  HG1) ( resid    4 and name  HD1)
assign ( resid    7 and name  HD2) ( resid    7 and name  HG2) 2.518 0.793 0.793 weight 1.000 ! spec=Expt_6, no=472, id=443, vol=1.610825e+07
    or ( resid    7 and name  HD2) ( resid    7 and name  HG1)
assign ( resid    7 and name   HA) ( resid    7 and name  HG2) 2.942 1.082 1.082 weight 1.000 ! spec=Expt_6, no=476, id=447, vol=5.954653e+06
    or ( resid    7 and name   HA) ( resid    7 and name  HG1)
assign ( resid    1 and name   HA) ( resid    1 and name  HB2) 3.142 1.234 1.234 weight 1.000 ! spec=Expt_6, no=490, id=460, vol=7.362962e+06
    or ( resid    1 and name   HA) ( resid    1 and name  HG1)
assign ( resid   20 and name  HB1) ( resid   18 and name  HB2) 3.321 1.379 1.379 weight 1.000 ! spec=Expt_6, no=492, id=462, vol=6.129214e+06
    or ( resid   20 and name  HB1) ( resid   18 and name  HB1)
    or ( resid   20 and name  HB1) ( resid   18 and name  HB3)
    or ( resid   20 and name  HB1) ( resid   19 and name  HG2)
    or ( resid   20 and name  HB1) ( resid   19 and name  HG1)
    or ( resid   27 and name  HB2) ( resid   25 and name  HB3)
    or ( resid   27 and name  HB2) ( resid   25 and name  HB2)
    or ( resid   27 and name  HB2) ( resid   25 and name  HB1)
    or ( resid   27 and name  HB2) ( resid   26 and name  HG1)
assign ( resid    7 and name  HE1) ( resid    7 and name  HG2) 3.188 1.271 1.271 weight 1.000 ! spec=Expt_6, no=504, id=472, vol=4.074716e+06
    or ( resid    7 and name  HE1) ( resid    7 and name  HG1)
    or ( resid    7 and name  HE2) ( resid    7 and name  HG2)
    or ( resid    7 and name  HE2) ( resid    7 and name  HG1)
assign ( resid   21 and name  HB2) ( resid   21 and name   HA) 2.687 0.903 0.903 weight 1.000 ! spec=Expt_6, no=512, id=480, vol=1.184109e+07
    or ( resid   21 and name   HA) ( resid   21 and name  HB1)
assign ( resid   15 and name  HB1) ( resid   15 and name   HA) 2.569 0.825 0.825 weight 1.000 ! spec=Expt_6, no=520, id=488, vol=2.136495e+07
    or ( resid   19 and name  HB2) ( resid   16 and name   HA)
    or ( resid   14 and name  HB1) ( resid   15 and name   HA)
assign ( resid   10 and name   HA) ( resid   10 and name  HB1) 2.283 0.651 0.651 weight 1.000 ! spec=Expt_6, no=537, id=500, vol=3.259261e+07
    or ( resid   30 and name   HA) ( resid   33 and name  HB1)
assign ( resid   26 and name  HB1) ( resid   26 and name   HA) 2.778 0.965 0.965 weight 1.000 ! spec=Expt_6, no=573, id=527, vol=1.257879e+07
    or ( resid   26 and name   HA) ( resid   29 and name  HB1)
    or ( resid   29 and name   HA) ( resid   29 and name  HB1)
assign ( resid    8 and name  HG2) ( resid    7 and name   HA) 3.339 1.393 1.393 weight 1.000 ! spec=Expt_6, no=612, id=552, vol=6.841683e+06
    or ( resid    8 and name  HG2) ( resid   20 and name  HB1)
    or ( resid    8 and name  HG1) ( resid    7 and name   HA)
assign ( resid    1 and name  HB1) ( resid    2 and name  HD2) 3.615 1.634 1.634 weight 1.000 ! spec=Expt_6, no=613, id=553, vol=5.274972e+06
    or ( resid    1 and name  HG2) ( resid    2 and name  HD2)
assign ( resid   27 and name   HN) ( resid   25 and name  HB3) 3.254 1.323 1.323 weight 1.000 ! spec=Expt_6, no=619, id=559, vol=6.807561e+06
    or ( resid   27 and name   HN) ( resid   25 and name  HB2)
    or ( resid   27 and name   HN) ( resid   25 and name  HB1)
    or ( resid   27 and name   HN) ( resid   26 and name  HG2)
    or ( resid   27 and name   HN) ( resid   26 and name  HG1)
assign ( resid   18 and name   HN) ( resid   16 and name   HA) 2.769 0.958 0.958 weight 1.000 ! spec=Expt_6, no=633, id=573, vol=1.039225e+07
    or ( resid   17 and name   HA) ( resid   18 and name   HN)
assign ( resid   16 and name   HN) ( resid   15 and name   HA) 2.605 0.849 0.849 weight 1.000 ! spec=Expt_6, no=640, id=580, vol=1.427865e+07
    or ( resid   16 and name   HA) ( resid   16 and name   HN)
assign ( resid    4 and name   HN) ( resid   27 and name  HD2) 3.490 1.523 1.523 weight 1.000 ! spec=Expt_6, no=647, id=587, vol=3.024205e+06
    or ( resid    3 and name   HN) ( resid   27 and name  HD2)
assign ( resid    3 and name   HN) ( resid   27 and name  HE2) 3.129 1.224 1.224 weight 1.000 ! spec=Expt_6, no=648, id=588, vol=5.170966e+06
    or ( resid    4 and name   HN) ( resid   27 and name  HE2)
assign ( resid    8 and name  HD2) ( resid    8 and name  HG1) 2.621 0.859 0.859 weight 1.000 ! spec=Expt_6, no=655, id=593, vol=1.259251e+07
    or ( resid    8 and name  HD2) ( resid    8 and name  HG2)
assign ( resid   21 and name  HB1) ( resid   21 and name  HG2) 2.468 0.761 0.761 weight 1.000 ! spec=Expt_6, no=666, id=604, vol=2.151704e+07
    or ( resid   21 and name  HG2) ( resid   21 and name  HB2)
assign ( resid   33 and name   HA) ( resid   33 and name  HB1) 2.568 0.824 0.824 weight 1.000 ! spec=Expt_6, no=669, id=607, vol=1.778334e+07
    or ( resid   33 and name   HA) ( resid   33 and name  HB2)
assign ( resid   27 and name  HD1) ( resid    4 and name   HA) 2.969 1.102 1.102 weight 1.000 ! spec=Expt_6, no=728, id=656, vol=6.638884e+06
    or ( resid   27 and name  HD2) ( resid    4 and name   HA)
assign ( resid   21 and name  HB2) ( resid   21 and name  HG1) 2.969 1.102 1.102 weight 1.000 ! spec=Expt_6, no=742, id=667, vol=6.734817e+06
    or ( resid   21 and name  HB1) ( resid   21 and name  HG1)
assign ( resid    8 and name  HG1) ( resid    8 and name   HA) 3.480 1.514 1.514 weight 1.000 ! spec=Expt_6, no=758, id=677, vol=3.184049e+06
    or ( resid    8 and name  HG2) ( resid    8 and name   HA)
assign ( resid   27 and name  HD1) ( resid   24 and name  HB1) 3.657 1.671 1.671 weight 1.000 ! spec=Expt_6, no=773, id=687, vol=3.245556e+06
    or ( resid   27 and name  HD2) ( resid    5 and name  HG2)
    or ( resid   27 and name  HE1) ( resid    5 and name  HG2)
    or ( resid   27 and name  HD1) ( resid    5 and name  HG2)
assign ( resid    4 and name   HA) ( resid   24 and name   HN) 5.024 1.925 1.925 weight 1.000 ! spec=Expt_6, no=791, id=698, vol=2.161285e+06
    or ( resid    8 and name  HD1) ( resid   24 and name   HN)
    or ( resid   11 and name  HB2) ( resid   15 and name   HN)
    or ( resid   11 and name  HB1) ( resid   15 and name   HN)
# Restraints file 3: clean_dihed_190416.tbl
 ASSIGN  (segid "   A" and resid 2    and name C   ) (segid "   A" and resid 3    and name N   )
         (segid "   A" and resid 3    and name CA  ) (segid "   A" and resid 3    and name C   )  1.00 -71.81 28.19 2

 ASSIGN  (segid "   A" and resid 3    and name N   ) (segid "   A" and resid 3    and name CA  )
         (segid "   A" and resid 3    and name C   ) (segid "   A" and resid 4    and name N   )  1.00 144.54 34.54 2

 ASSIGN  (segid "   A" and resid 4    and name C   ) (segid "   A" and resid 5    and name N   )
         (segid "   A" and resid 5    and name CA  ) (segid "   A" and resid 5    and name C   )  1.00 -64.21 25.79 2

 ASSIGN  (segid "   A" and resid 5    and name N   ) (segid "   A" and resid 5    and name CA  )
         (segid "   A" and resid 5    and name C   ) (segid "   A" and resid 6    and name N   )  1.00 145.42 25.42 2

 ASSIGN  (segid "   A" and resid 6    and name C   ) (segid "   A" and resid 7    and name N   )
         (segid "   A" and resid 7    and name CA  ) (segid "   A" and resid 7    and name C   )  1.00 -78.81 61.19 2

 ASSIGN  (segid "   A" and resid 7    and name N   ) (segid "   A" and resid 7    and name CA  )
         (segid "   A" and resid 7    and name C   ) (segid "   A" and resid 8    and name N   )  1.00 150.68 60.68 2

 ASSIGN  (segid "   A" and resid 8    and name C   ) (segid "   A" and resid 9    and name N   )
         (segid "   A" and resid 9    and name CA  ) (segid "   A" and resid 9    and name C   )  1.00 -63.94 36.06 2

 ASSIGN  (segid "   A" and resid 9    and name N   ) (segid "   A" and resid 9    and name CA  )
         (segid "   A" and resid 9    and name C   ) (segid "   A" and resid 10   and name N   )  1.00 -17.19 52.81 2

 ASSIGN  (segid "   A" and resid 9    and name C   ) (segid "   A" and resid 10   and name N   )
         (segid "   A" and resid 10   and name CA  ) (segid "   A" and resid 10   and name C   )  1.00 -64.97 35.03 2

! ASSIGN  (segid "   A" and resid 10   and name N   ) (segid "   A" and resid 10   and name CA  )
!         (segid "   A" and resid 10   and name C   ) (segid "   A" and resid 11   and name N   )  1.00 -24.53 41.00 2

! ASSIGN  (segid "   A" and resid 10   and name C   ) (segid "   A" and resid 11   and name N   )
!         (segid "   A" and resid 11   and name CA  ) (segid "   A" and resid 11   and name C   )  1.00 -60.42 41.00 2

 ASSIGN  (segid "   A" and resid 11   and name N   ) (segid "   A" and resid 11   and name CA  )
         (segid "   A" and resid 11   and name C   ) (segid "   A" and resid 12   and name N   )  1.00 -29.50 37.00 2

 ASSIGN  (segid "   A" and resid 11   and name C   ) (segid "   A" and resid 12   and name N   )
         (segid "   A" and resid 12   and name CA  ) (segid "   A" and resid 12   and name C   )  1.00 -85.46 37.00 2

 ASSIGN  (segid "   A" and resid 12   and name N   ) (segid "   A" and resid 12   and name CA  )
         (segid "   A" and resid 12   and name C   ) (segid "   A" and resid 13   and name N   )  1.00 -12.94 37.06 2

 ASSIGN  (segid "   A" and resid 14   and name C   ) (segid "   A" and resid 15   and name N   )
         (segid "   A" and resid 15   and name CA  ) (segid "   A" and resid 15   and name C   )  1.00 -66.12 33.88 2

 ASSIGN  (segid "   A" and resid 15   and name N   ) (segid "   A" and resid 15   and name CA  )
         (segid "   A" and resid 15   and name C   ) (segid "   A" and resid 16   and name N   )  1.00 -24.75 35.25 2

 ASSIGN  (segid "   A" and resid 15   and name C   ) (segid "   A" and resid 16   and name N   )
         (segid "   A" and resid 16   and name CA  ) (segid "   A" and resid 16   and name C   )  1.00 -67.07 22.93 2

 ASSIGN  (segid "   A" and resid 16   and name N   ) (segid "   A" and resid 16   and name CA  )
         (segid "   A" and resid 16   and name C   ) (segid "   A" and resid 17   and name N   )  1.00 -28.68 41.32 2

 ASSIGN  (segid "   A" and resid 16   and name C   ) (segid "   A" and resid 17   and name N   )
         (segid "   A" and resid 17   and name CA  ) (segid "   A" and resid 17   and name C   )  1.00 -64.76 25.24 2

 ASSIGN  (segid "   A" and resid 17   and name N   ) (segid "   A" and resid 17   and name CA  )
         (segid "   A" and resid 17   and name C   ) (segid "   A" and resid 18   and name N   )  1.00 -38.24 31.76 2

 ASSIGN  (segid "   A" and resid 17   and name C   ) (segid "   A" and resid 18   and name N   )
         (segid "   A" and resid 18   and name CA  ) (segid "   A" and resid 18   and name C   )  1.00 -66.53 23.47 2

 ASSIGN  (segid "   A" and resid 18   and name N   ) (segid "   A" and resid 18   and name CA  )
         (segid "   A" and resid 18   and name C   ) (segid "   A" and resid 19   and name N   )  1.00 -34.51 35.49 2

 ASSIGN  (segid "   A" and resid 18   and name C   ) (segid "   A" and resid 19   and name N   )
         (segid "   A" and resid 19   and name CA  ) (segid "   A" and resid 19   and name C   )  1.00 -64.65 25.35 2

 ASSIGN  (segid "   A" and resid 19   and name N   ) (segid "   A" and resid 19   and name CA  )
         (segid "   A" and resid 19   and name C   ) (segid "   A" and resid 20   and name N   )  1.00 -44.15 25.85 2

 ASSIGN  (segid "   A" and resid 19   and name C   ) (segid "   A" and resid 20   and name N   )
         (segid "   A" and resid 20   and name CA  ) (segid "   A" and resid 20   and name C   )  1.00 -58.73 31.27 2

 ASSIGN  (segid "   A" and resid 20   and name N   ) (segid "   A" and resid 20   and name CA  )
         (segid "   A" and resid 20   and name C   ) (segid "   A" and resid 21   and name N   )  1.00 -42.62 27.38 2

 ASSIGN  (segid "   A" and resid 20   and name C   ) (segid "   A" and resid 21   and name N   )
         (segid "   A" and resid 21   and name CA  ) (segid "   A" and resid 21   and name C   )  1.00 -64.66 25.34 2

 ASSIGN  (segid "   A" and resid 21   and name N   ) (segid "   A" and resid 21   and name CA  )
         (segid "   A" and resid 21   and name C   ) (segid "   A" and resid 22   and name N   )  1.00 -31.43 38.57 2

 ASSIGN  (segid "   A" and resid 21   and name C   ) (segid "   A" and resid 22   and name N   )
         (segid "   A" and resid 22   and name CA  ) (segid "   A" and resid 22   and name C   )  1.00 -67.79 22.21 2

 ASSIGN  (segid "   A" and resid 22   and name N   ) (segid "   A" and resid 22   and name CA  )
         (segid "   A" and resid 22   and name C   ) (segid "   A" and resid 23   and name N   )  1.00 -38.22 31.78 2

 ASSIGN  (segid "   A" and resid 22   and name C   ) (segid "   A" and resid 23   and name N   )
         (segid "   A" and resid 23   and name CA  ) (segid "   A" and resid 23   and name C   )  1.00 -64.05 25.95 2

 ASSIGN  (segid "   A" and resid 23   and name N   ) (segid "   A" and resid 23   and name CA  )
         (segid "   A" and resid 23   and name C   ) (segid "   A" and resid 24   and name N   )  1.00 -38.67 35.00 2

 ASSIGN  (segid "   A" and resid 23   and name C   ) (segid "   A" and resid 24   and name N   )
         (segid "   A" and resid 24   and name CA  ) (segid "   A" and resid 24   and name C   )  1.00 -63.49 26.51 2

 ASSIGN  (segid "   A" and resid 24   and name N   ) (segid "   A" and resid 24   and name CA  )
         (segid "   A" and resid 24   and name C   ) (segid "   A" and resid 25   and name N   )  1.00 -43.09 26.91 2

 ASSIGN  (segid "   A" and resid 24   and name C   ) (segid "   A" and resid 25   and name N   )
         (segid "   A" and resid 25   and name CA  ) (segid "   A" and resid 25   and name C   )  1.00 -61.14 28.86 2

 ASSIGN  (segid "   A" and resid 25   and name N   ) (segid "   A" and resid 25   and name CA  )
         (segid "   A" and resid 25   and name C   ) (segid "   A" and resid 26   and name N   )  1.00 -44.34 25.66 2

 ASSIGN  (segid "   A" and resid 25   and name C   ) (segid "   A" and resid 26   and name N   )
         (segid "   A" and resid 26   and name CA  ) (segid "   A" and resid 26   and name C   )  1.00 -63.15 26.85 2

 ASSIGN  (segid "   A" and resid 26   and name N   ) (segid "   A" and resid 26   and name CA  )
         (segid "   A" and resid 26   and name C   ) (segid "   A" and resid 27   and name N   )  1.00 -44.86 25.14 2

 ASSIGN  (segid "   A" and resid 26   and name C   ) (segid "   A" and resid 27   and name N   )
         (segid "   A" and resid 27   and name CA  ) (segid "   A" and resid 27   and name C   )  1.00 -62.00 28.00 2

 ASSIGN  (segid "   A" and resid 27   and name N   ) (segid "   A" and resid 27   and name CA  )
         (segid "   A" and resid 27   and name C   ) (segid "   A" and resid 28   and name N   )  1.00 -44.63 25.37 2

 ASSIGN  (segid "   A" and resid 27   and name C   ) (segid "   A" and resid 28   and name N   )
         (segid "   A" and resid 28   and name CA  ) (segid "   A" and resid 28   and name C   )  1.00 -63.02 26.98 2

 ASSIGN  (segid "   A" and resid 28   and name N   ) (segid "   A" and resid 28   and name CA  )
         (segid "   A" and resid 28   and name C   ) (segid "   A" and resid 29   and name N   )  1.00 -40.02 29.98 2

 ASSIGN  (segid "   A" and resid 28   and name C   ) (segid "   A" and resid 29   and name N   )
         (segid "   A" and resid 29   and name CA  ) (segid "   A" and resid 29   and name C   )  1.00 -64.54 15.46 2

 ASSIGN  (segid "   A" and resid 29   and name N   ) (segid "   A" and resid 29   and name CA  )
         (segid "   A" and resid 29   and name C   ) (segid "   A" and resid 30   and name N   )  1.00 -44.93 25.07 2

 ASSIGN  (segid "   A" and resid 29   and name C   ) (segid "   A" and resid 30   and name N   )
         (segid "   A" and resid 30   and name CA  ) (segid "   A" and resid 30   and name C   )  1.00 -64.89 25.11 2

 ASSIGN  (segid "   A" and resid 30   and name N   ) (segid "   A" and resid 30   and name CA  )
         (segid "   A" and resid 30   and name C   ) (segid "   A" and resid 31   and name N   )  1.00 -44.17 30.00 2

 ASSIGN  (segid "   A" and resid 30   and name C   ) (segid "   A" and resid 31   and name N   )
         (segid "   A" and resid 31   and name CA  ) (segid "   A" and resid 31   and name C   )  1.00 -64.80 25.20 2

 ASSIGN  (segid "   A" and resid 31   and name N   ) (segid "   A" and resid 31   and name CA  )
         (segid "   A" and resid 31   and name C   ) (segid "   A" and resid 32   and name N   )  1.00 -43.81 26.19 2

 ASSIGN  (segid "   A" and resid 31   and name C   ) (segid "   A" and resid 32   and name N   )
         (segid "   A" and resid 32   and name CA  ) (segid "   A" and resid 32   and name C   )  1.00 -64.65 25.35 2

 ASSIGN  (segid "   A" and resid 32   and name N   ) (segid "   A" and resid 32   and name CA  )
         (segid "   A" and resid 32   and name C   ) (segid "   A" and resid 33   and name N   )  1.00 -42.85 27.15 2

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   ACE   0           HA1      ACE   0  13.536  -3.601   3.073
    2    H2   ACE   0           HA2      ACE   0  14.952  -4.639   3.226
    3    H3   ACE   0           HA3      ACE   0  14.429  -3.697   4.619
    4    HA   PRO   1           HA       PRO   1  12.655  -5.356   1.394
    5    HB2  PRO   1           HB2      PRO   1  10.997  -7.815   1.676
    6    HB3  PRO   1           HB1      PRO   1  12.048  -7.313   0.337
    7    HG2  PRO   1           HG2      PRO   1  12.770  -9.266   1.973
    8    HG3  PRO   1           HG1      PRO   1  13.954  -8.101   1.341
    9    HD2  PRO   1           HD2      PRO   1  12.729  -8.257   4.059
   10    HD3  PRO   1           HD1      PRO   1  14.378  -7.796   3.583
   11    HA   PRO   2           HA       PRO   2   9.021  -3.266   3.089
   12    HB2  PRO   2           HB2      PRO   2   8.686  -2.634   0.196
   13    HB3  PRO   2           HB1      PRO   2   8.701  -1.537   1.588
   14    HG2  PRO   2           HG2      PRO   2  10.752  -1.676  -0.085
   15    HG3  PRO   2           HG1      PRO   2  10.982  -1.425   1.656
   16    HD2  PRO   2           HD2      PRO   2  11.437  -3.870   0.026
   17    HD3  PRO   2           HD1      PRO   2  12.298  -3.293   1.467
   18    H    THR   3           HN       THR   3   7.423  -4.683   3.596
   19    HA   THR   3           HA       THR   3   6.350  -6.449   1.547
   20    HB   THR   3           HB       THR   3   4.934  -7.276   3.529
   21    HG1  THR   3           HG1      THR   3   5.631  -5.256   4.749
   22   HG21  THR   3          HG21      THR   3   6.874  -8.486   2.624
   23   HG22  THR   3          HG22      THR   3   6.757  -8.656   4.375
   24   HG23  THR   3          HG23      THR   3   7.941  -7.555   3.673
   25    H    LYS   4           HN       LYS   4   4.676  -5.863   0.350
   26    HA   LYS   4           HA       LYS   4   3.079  -3.579   1.171
   27    HB2  LYS   4           HB2      LYS   4   2.241  -3.512  -1.068
   28    HB3  LYS   4           HB1      LYS   4   3.967  -3.832  -1.183
   29    HG2  LYS   4           HG2      LYS   4   3.566  -6.147  -1.628
   30    HG3  LYS   4           HG1      LYS   4   1.837  -5.945  -1.340
   31    HD2  LYS   4           HD2      LYS   4   1.783  -4.339  -3.250
   32    HD3  LYS   4           HD1      LYS   4   3.469  -4.747  -3.577
   33    HE2  LYS   4           HE2      LYS   4   1.154  -6.680  -3.582
   34    HE3  LYS   4           HE1      LYS   4   1.930  -6.002  -5.011
   35    HZ1  LYS   4           HZ1      LYS   4   3.967  -7.109  -4.421
   36    HZ2  LYS   4           HZ2      LYS   4   2.715  -8.243  -4.475
   37    HZ3  LYS   4           HZ3      LYS   4   3.289  -7.693  -2.985
   38    HA   PRO   5           HA       PRO   5  -0.502  -5.995   2.363
   39    HB2  PRO   5           HB2      PRO   5  -2.451  -4.185   1.793
   40    HB3  PRO   5           HB1      PRO   5  -1.379  -4.016   3.196
   41    HG2  PRO   5           HG2      PRO   5  -1.224  -2.676   0.540
   42    HG3  PRO   5           HG1      PRO   5  -0.986  -1.995   2.162
   43    HD2  PRO   5           HD2      PRO   5   1.068  -2.666   0.544
   44    HD3  PRO   5           HD1      PRO   5   1.169  -2.772   2.315
   45    H    THR   6           HN       THR   6  -2.505  -6.879   1.400
   46    HA   THR   6           HA       THR   6  -2.097  -7.401  -1.427
   47    HB   THR   6           HB       THR   6  -2.634  -9.233   0.231
   48    HG1  THR   6           HG1      THR   6  -2.962  -9.360  -2.119
   49   HG21  THR   6          HG21      THR   6  -5.405  -8.057   0.037
   50   HG22  THR   6          HG22      THR   6  -4.395  -8.082   1.482
   51   HG23  THR   6          HG23      THR   6  -4.987  -9.593   0.793
   52    H    LYS   7           HN       LYS   7  -3.887  -7.344  -2.934
   53    HA   LYS   7           HA       LYS   7  -5.100  -4.802  -3.031
   54    HB2  LYS   7           HB2      LYS   7  -5.814  -7.255  -4.642
   55    HB3  LYS   7           HB1      LYS   7  -6.179  -5.590  -5.065
   56    HG2  LYS   7           HG2      LYS   7  -3.413  -6.766  -4.842
   57    HG3  LYS   7           HG1      LYS   7  -4.292  -6.500  -6.346
   58    HD2  LYS   7           HD2      LYS   7  -3.477  -4.346  -4.389
   59    HD3  LYS   7           HD1      LYS   7  -2.640  -4.731  -5.893
   60    HE2  LYS   7           HE2      LYS   7  -5.513  -3.835  -5.709
   61    HE3  LYS   7           HE1      LYS   7  -4.154  -2.773  -6.063
   62    HZ1  LYS   7           HZ1      LYS   7  -4.939  -5.122  -7.698
   63    HZ2  LYS   7           HZ2      LYS   7  -3.705  -4.022  -8.052
   64    HZ3  LYS   7           HZ3      LYS   7  -5.318  -3.515  -8.066
   65    HA   PRO   8           HA       PRO   8  -8.587  -5.549  -0.330
   66    HB2  PRO   8           HB2      PRO   8  -9.600  -3.152  -1.785
   67    HB3  PRO   8           HB1      PRO   8  -9.456  -3.438  -0.037
   68    HG2  PRO   8           HG2      PRO   8  -7.781  -1.816  -1.292
   69    HG3  PRO   8           HG1      PRO   8  -7.215  -2.887   0.007
   70    HD2  PRO   8           HD2      PRO   8  -6.878  -3.162  -2.949
   71    HD3  PRO   8           HD1      PRO   8  -5.756  -3.578  -1.634
   72    H    GLY   9           HN       GLY   9 -10.224  -6.884  -0.656
   73    HA2  GLY   9           HA2      GLY   9 -11.414  -7.048  -3.336
   74    HA3  GLY   9           HA1      GLY   9 -11.519  -8.285  -2.092
   75    H    ASP  10           HN       ASP  10 -12.723  -7.634  -0.095
   76    HA   ASP  10           HA       ASP  10 -15.212  -6.338  -0.882
   77    HB2  ASP  10           HB2      ASP  10 -16.190  -7.341   1.039
   78    HB3  ASP  10           HB1      ASP  10 -15.122  -8.561   0.357
   79    H    ASN  11           HN       ASN  11 -12.379  -5.744   0.922
   80    HA   ASN  11           HA       ASN  11 -13.486  -3.551   2.450
   81    HB2  ASN  11           HB2      ASN  11 -11.144  -3.266   3.259
   82    HB3  ASN  11           HB1      ASN  11 -11.802  -4.870   3.553
   83   HD21  ASN  11          HD21      ASN  11  -9.025  -3.897   3.332
   84   HD22  ASN  11          HD22      ASN  11  -8.285  -4.873   2.118
   85    H    ALA  12           HN       ALA  12 -13.037  -3.766  -0.624
   86    HA   ALA  12           HA       ALA  12 -11.273  -1.582  -1.219
   87    HB1  ALA  12           HB1      ALA  12 -13.191  -3.055  -3.015
   88    HB2  ALA  12           HB2      ALA  12 -11.510  -3.502  -2.725
   89    HB3  ALA  12           HB3      ALA  12 -11.893  -1.979  -3.530
   90    H    THR  13           HN       THR  13 -13.713  -1.104   0.459
   91    HA   THR  13           HA       THR  13 -15.585   0.431  -0.977
   92    HB   THR  13           HB       THR  13 -15.941   1.534   1.320
   93    HG1  THR  13           HG1      THR  13 -14.367   1.104   2.674
   94   HG21  THR  13          HG21      THR  13 -17.086  -0.455   2.183
   95   HG22  THR  13          HG22      THR  13 -16.208  -1.456   1.027
   96   HG23  THR  13          HG23      THR  13 -17.359  -0.249   0.453
   97    HA   PRO  14           HA       PRO  14 -13.509   3.859  -2.632
   98    HB2  PRO  14           HB2      PRO  14 -15.605   5.435  -1.173
   99    HB3  PRO  14           HB1      PRO  14 -15.055   5.582  -2.854
  100    HG2  PRO  14           HG2      PRO  14 -17.320   4.321  -2.212
  101    HG3  PRO  14           HG1      PRO  14 -16.297   3.813  -3.573
  102    HD2  PRO  14           HD2      PRO  14 -16.781   2.459  -1.013
  103    HD3  PRO  14           HD1      PRO  14 -16.112   1.809  -2.517
  104    H    GLU  15           HN       GLU  15 -14.624   4.599   0.693
  105    HA   GLU  15           HA       GLU  15 -12.681   6.615   1.084
  106    HB2  GLU  15           HB2      GLU  15 -14.504   5.127   2.937
  107    HB3  GLU  15           HB1      GLU  15 -13.280   6.214   3.574
  108    HG2  GLU  15           HG2      GLU  15 -15.366   7.368   3.427
  109    HG3  GLU  15           HG1      GLU  15 -14.261   8.042   2.237
  110    H    LYS  16           HN       LYS  16 -12.773   3.212   2.014
  111    HA   LYS  16           HA       LYS  16 -10.298   3.389   3.467
  112    HB2  LYS  16           HB2      LYS  16 -12.199   1.812   4.016
  113    HB3  LYS  16           HB1      LYS  16 -11.749   0.887   2.586
  114    HG2  LYS  16           HG2      LYS  16  -9.618   0.354   3.528
  115    HG3  LYS  16           HG1      LYS  16  -9.890   1.449   4.886
  116    HD2  LYS  16           HD2      LYS  16 -11.877   0.038   5.494
  117    HD3  LYS  16           HD1      LYS  16 -11.346  -1.118   4.271
  118    HE2  LYS  16           HE2      LYS  16  -9.253  -1.443   5.435
  119    HE3  LYS  16           HE1      LYS  16  -9.677  -0.196   6.606
  120    HZ1  LYS  16           HZ1      LYS  16 -11.578  -1.589   7.274
  121    HZ2  LYS  16           HZ2      LYS  16 -10.091  -2.340   7.550
  122    HZ3  LYS  16           HZ3      LYS  16 -11.039  -2.808   6.231
  123    H    LEU  17           HN       LEU  17 -11.355   2.564   0.278
  124    HA   LEU  17           HA       LEU  17  -9.018   1.302  -0.673
  125    HB2  LEU  17           HB2      LEU  17 -11.251   1.276  -1.778
  126    HB3  LEU  17           HB1      LEU  17 -11.023   2.963  -2.197
  127    HG   LEU  17           HG       LEU  17  -9.100   2.345  -3.606
  128   HD11  LEU  17          HD11      LEU  17  -8.732  -0.041  -4.114
  129   HD12  LEU  17          HD12      LEU  17  -9.864  -0.467  -2.829
  130   HD13  LEU  17          HD13      LEU  17  -8.357   0.361  -2.440
  131   HD21  LEU  17          HD21      LEU  17 -11.333   2.501  -4.569
  132   HD22  LEU  17          HD22      LEU  17 -11.627   0.807  -4.173
  133   HD23  LEU  17          HD23      LEU  17 -10.392   1.235  -5.359
  134    H    ALA  18           HN       ALA  18 -10.022   4.641  -0.378
  135    HA   ALA  18           HA       ALA  18  -7.883   5.811  -1.808
  136    HB1  ALA  18           HB1      ALA  18  -9.573   6.971   0.404
  137    HB2  ALA  18           HB2      ALA  18  -9.956   7.008  -1.316
  138    HB3  ALA  18           HB3      ALA  18  -8.553   7.887  -0.707
  139    H    LYS  19           HN       LYS  19  -8.401   5.089   1.621
  140    HA   LYS  19           HA       LYS  19  -5.957   6.033   2.606
  141    HB2  LYS  19           HB2      LYS  19  -7.716   5.410   4.144
  142    HB3  LYS  19           HB1      LYS  19  -7.696   3.750   3.564
  143    HG2  LYS  19           HG2      LYS  19  -5.432   3.466   4.433
  144    HG3  LYS  19           HG1      LYS  19  -5.453   5.125   5.029
  145    HD2  LYS  19           HD2      LYS  19  -7.261   4.601   6.546
  146    HD3  LYS  19           HD1      LYS  19  -7.381   2.967   5.887
  147    HE2  LYS  19           HE2      LYS  19  -5.134   2.467   6.671
  148    HE3  LYS  19           HE1      LYS  19  -4.960   4.111   7.274
  149    HZ1  LYS  19           HZ1      LYS  19  -6.952   2.136   8.250
  150    HZ2  LYS  19           HZ2      LYS  19  -6.717   3.697   8.858
  151    HZ3  LYS  19           HZ3      LYS  19  -5.505   2.533   9.030
  152    HA   4PH  20           HA       4PH  20  -4.479   1.556   1.614
  153    HB2  4PH  20           HB1      4PH  20  -6.474   1.318  -0.649
  154    HB3  4PH  20           HB2      4PH  20  -6.521   0.436   0.869
  155    HD2  4PH  20           HD2      4PH  20  -4.589  -1.135   1.387
  156    HD1  4PH  20           HD1      4PH  20  -5.353   0.447  -2.482
  157    HE2  4PH  20           HE2      4PH  20  -3.226  -2.920   0.394
  158    HE1  4PH  20           HE1      4PH  20  -3.992  -1.337  -3.489
  159    H33  4PH  20           H33      4PH  20  -1.914  -3.453  -1.476
  160   H33A  4PH  20          H33A      4PH  20  -3.286  -4.089  -2.382
  161   H33B  4PH  20          H33B      4PH  20  -2.272  -2.821  -3.081
  162    H    4PH  20           HN       4PH  20  -6.875   2.927   1.211
  163    H    GLN  21           HN       GLN  21  -5.524   3.503  -1.198
  164    HA   GLN  21           HA       GLN  21  -3.151   3.266  -2.667
  165    HB2  GLN  21           HB2      GLN  21  -5.224   5.457  -2.596
  166    HB3  GLN  21           HB1      GLN  21  -3.891   5.435  -3.741
  167    HG2  GLN  21           HG2      GLN  21  -5.908   3.225  -3.470
  168    HG3  GLN  21           HG1      GLN  21  -6.048   4.555  -4.620
  169   HE21  GLN  21          HE21      GLN  21  -4.258   1.680  -3.766
  170   HE22  GLN  21          HE22      GLN  21  -3.453   1.496  -5.281
  171    H    ALA  22           HN       ALA  22  -4.018   5.409  -0.037
  172    HA   ALA  22           HA       ALA  22  -1.802   7.163  -0.277
  173    HB1  ALA  22           HB1      ALA  22  -3.491   6.530   2.136
  174    HB2  ALA  22           HB2      ALA  22  -3.844   7.765   0.928
  175    HB3  ALA  22           HB3      ALA  22  -2.418   7.918   1.954
  176    H    ASP  23           HN       ASP  23  -2.419   4.224   1.562
  177    HA   ASP  23           HA       ASP  23   0.053   4.285   2.981
  178    HB2  ASP  23           HB2      ASP  23  -1.948   3.031   3.771
  179    HB3  ASP  23           HB1      ASP  23  -1.736   1.900   2.436
  180    H    LEU  24           HN       LEU  24  -0.996   2.905  -0.077
  181    HA   LEU  24           HA       LEU  24   1.344   1.418  -0.602
  182    HB2  LEU  24           HB2      LEU  24  -0.883   2.467  -2.266
  183    HB3  LEU  24           HB1      LEU  24   0.585   1.966  -3.086
  184    HG   LEU  24           HG       LEU  24  -1.242   0.230  -2.943
  185   HD11  LEU  24          HD11      LEU  24   0.284  -1.590  -2.512
  186   HD12  LEU  24          HD12      LEU  24   1.384  -0.507  -1.661
  187   HD13  LEU  24          HD13      LEU  24   1.123  -0.311  -3.393
  188   HD21  LEU  24          HD21      LEU  24  -1.481  -0.989  -0.854
  189   HD22  LEU  24          HD22      LEU  24  -1.959   0.698  -0.654
  190   HD23  LEU  24          HD23      LEU  24  -0.395   0.146  -0.052
  191    H    ALA  25           HN       ALA  25   0.561   4.797  -0.963
  192    HA   ALA  25           HA       ALA  25   2.736   5.566  -2.567
  193    HB1  ALA  25           HB1      ALA  25   1.374   7.146  -0.389
  194    HB2  ALA  25           HB2      ALA  25   0.852   7.047  -2.069
  195    HB3  ALA  25           HB3      ALA  25   2.393   7.804  -1.669
  196    H    LYS  26           HN       LYS  26   2.427   5.052   0.905
  197    HA   LYS  26           HA       LYS  26   5.040   5.929   1.581
  198    HB2  LYS  26           HB2      LYS  26   3.022   4.180   2.977
  199    HB3  LYS  26           HB1      LYS  26   4.618   4.459   3.655
  200    HG2  LYS  26           HG2      LYS  26   2.668   6.649   2.970
  201    HG3  LYS  26           HG1      LYS  26   2.847   5.936   4.574
  202    HD2  LYS  26           HD2      LYS  26   5.190   6.638   4.625
  203    HD3  LYS  26           HD1      LYS  26   5.017   7.345   3.020
  204    HE2  LYS  26           HE2      LYS  26   3.500   8.187   5.486
  205    HE3  LYS  26           HE1      LYS  26   4.877   9.035   4.790
  206    HZ1  LYS  26           HZ1      LYS  26   3.560   9.343   2.755
  207    HZ2  LYS  26           HZ2      LYS  26   2.850  10.078   4.098
  208    HZ3  LYS  26           HZ3      LYS  26   2.232   8.622   3.512
  209    HA   4PH  27           HA       4PH  27   5.932   1.237   1.159
  210    HB2  4PH  27           HB1      4PH  27   3.477   0.909  -0.550
  211    HB3  4PH  27           HB2      4PH  27   3.880   0.084   0.947
  212    HD2  4PH  27           HD2      4PH  27   3.717  -0.229  -2.517
  213    HD1  4PH  27           HD1      4PH  27   6.073  -1.395   0.826
  214    HE2  4PH  27           HE2      4PH  27   4.608  -2.118  -3.805
  215    HE1  4PH  27           HE1      4PH  27   6.968  -3.286  -0.464
  216    H33  4PH  27           H33      4PH  27   6.374  -3.630  -3.981
  217   H33A  4PH  27          H33A      4PH  27   7.336  -4.126  -2.585
  218   H33B  4PH  27          H33B      4PH  27   5.692  -4.738  -2.797
  219    H    4PH  27           HN       4PH  27   3.639   2.815   0.752
  220    H    GLN  28           HN       GLN  28   4.688   2.831  -1.773
  221    HA   GLN  28           HA       GLN  28   6.745   1.926  -3.474
  222    HB2  GLN  28           HB2      GLN  28   4.888   4.298  -3.653
  223    HB3  GLN  28           HB1      GLN  28   6.037   3.888  -4.922
  224    HG2  GLN  28           HG2      GLN  28   4.959   1.737  -5.247
  225    HG3  GLN  28           HG1      GLN  28   3.857   2.062  -3.910
  226   HE21  GLN  28          HE21      GLN  28   2.074   1.813  -5.271
  227   HE22  GLN  28          HE22      GLN  28   1.619   3.035  -6.404
  228    H    LYS  29           HN       LYS  29   6.499   4.706  -1.352
  229    HA   LYS  29           HA       LYS  29   8.808   6.072  -2.238
  230    HB2  LYS  29           HB2      LYS  29   7.162   7.174  -0.821
  231    HB3  LYS  29           HB1      LYS  29   7.460   6.025   0.473
  232    HG2  LYS  29           HG2      LYS  29   9.751   6.881   0.688
  233    HG3  LYS  29           HG1      LYS  29   9.414   8.061  -0.581
  234    HD2  LYS  29           HD2      LYS  29   7.681   9.073   0.785
  235    HD3  LYS  29           HD1      LYS  29   7.920   7.850   2.033
  236    HE2  LYS  29           HE2      LYS  29  10.012   9.823   1.117
  237    HE3  LYS  29           HE1      LYS  29   9.017  10.005   2.562
  238    HZ1  LYS  29           HZ1      LYS  29  10.932   7.791   2.052
  239    HZ2  LYS  29           HZ2      LYS  29   9.985   7.971   3.438
  240    HZ3  LYS  29           HZ3      LYS  29  11.194   9.100   3.090
  241    H    ASP  30           HN       ASP  30   8.270   3.637   0.265
  242    HA   ASP  30           HA       ASP  30  11.006   3.616   1.119
  243    HB2  ASP  30           HB2      ASP  30   9.175   3.033   2.661
  244    HB3  ASP  30           HB1      ASP  30   8.778   1.637   1.667
  245    H    LEU  31           HN       LEU  31   9.101   1.856  -1.205
  246    HA   LEU  31           HA       LEU  31  10.856  -0.293  -1.673
  247    HB2  LEU  31           HB2      LEU  31   8.410   0.203  -2.517
  248    HB3  LEU  31           HB1      LEU  31   9.236   0.953  -3.865
  249    HG   LEU  31           HG       LEU  31   8.506  -1.353  -4.343
  250   HD11  LEU  31          HD11      LEU  31  10.407  -0.446  -5.553
  251   HD12  LEU  31          HD12      LEU  31  10.605  -2.175  -5.266
  252   HD13  LEU  31          HD13      LEU  31  11.496  -1.011  -4.286
  253   HD21  LEU  31          HD21      LEU  31   9.540  -3.231  -3.266
  254   HD22  LEU  31          HD22      LEU  31   8.786  -2.202  -2.045
  255   HD23  LEU  31          HD23      LEU  31  10.533  -2.165  -2.276
  256    H    ALA  32           HN       ALA  32  10.662   2.967  -2.981
  257    HA   ALA  32           HA       ALA  32  12.629   2.798  -4.951
  258    HB1  ALA  32           HB1      ALA  32  11.100   4.679  -4.761
  259    HB2  ALA  32           HB2      ALA  32  12.774   5.232  -4.763
  260    HB3  ALA  32           HB3      ALA  32  11.869   5.162  -3.251
  261    H    ASP  33           HN       ASP  33  12.858   3.259  -1.500
  262    HA   ASP  33           HA       ASP  33  15.644   3.856  -1.425
  263    HB2  ASP  33           HB2      ASP  33  14.314   4.500   0.465
  264    HB3  ASP  33           HB1      ASP  33  13.713   2.861   0.679
  265    HA   4PH  34           HA       4PH  34  15.837  -0.824  -0.519
  266    HB2  4PH  34           HB1      4PH  34  13.206  -1.391  -1.894
  267    HB3  4PH  34           HB2      4PH  34  13.467  -1.361  -0.157
  268    HD2  4PH  34           HD2      4PH  34  13.129  -3.453  -2.901
  269    HD1  4PH  34           HD1      4PH  34  15.456  -2.962   0.629
  270    HE2  4PH  34           HE2      4PH  34  13.651  -5.852  -2.918
  271    HE1  4PH  34           HE1      4PH  34  15.979  -5.364   0.622
  272    H33  4PH  34           H33      4PH  34  14.304  -7.653  -1.587
  273   H33A  4PH  34          H33A      4PH  34  16.026  -7.296  -1.724
  274   H33B  4PH  34          H33B      4PH  34  15.274  -7.446  -0.133
  275    H    4PH  34           HN       4PH  34  13.734   0.928  -1.223
  276    HN1  NH2  35           HN1      NH2  35  17.537  -1.206  -1.739
  277    HN2  NH2  35           HN2      NH2  35  17.550  -1.396  -3.456
  Start of MODEL    2
    1    H1   ACE   0           HA1      ACE   0  15.191  -4.295   5.513
    2    H2   ACE   0           HA2      ACE   0  14.580  -2.859   6.332
    3    H3   ACE   0           HA3      ACE   0  13.810  -3.381   4.835
    4    HA   PRO   1           HA       PRO   1  12.850  -5.436   3.895
    5    HB2  PRO   1           HB2      PRO   1  11.134  -7.599   4.154
    6    HB3  PRO   1           HB1      PRO   1  12.870  -7.728   3.811
    7    HG2  PRO   1           HG2      PRO   1  11.431  -8.041   6.392
    8    HG3  PRO   1           HG1      PRO   1  12.807  -8.958   5.741
    9    HD2  PRO   1           HD2      PRO   1  13.141  -7.070   7.622
   10    HD3  PRO   1           HD1      PRO   1  14.344  -7.344   6.344
   11    HA   PRO   2           HA       PRO   2   9.183  -3.029   4.762
   12    HB2  PRO   2           HB2      PRO   2   8.620  -2.384   2.147
   13    HB3  PRO   2           HB1      PRO   2   9.854  -1.556   3.121
   14    HG2  PRO   2           HG2      PRO   2  10.181  -3.658   1.053
   15    HG3  PRO   2           HG1      PRO   2  11.189  -2.242   1.405
   16    HD2  PRO   2           HD2      PRO   2  11.847  -4.764   2.188
   17    HD3  PRO   2           HD1      PRO   2  12.340  -3.309   3.079
   18    H    THR   3           HN       THR   3   7.226  -3.837   5.182
   19    HA   THR   3           HA       THR   3   6.275  -6.196   3.876
   20    HB   THR   3           HB       THR   3   4.218  -5.765   5.343
   21    HG1  THR   3           HG1      THR   3   5.368  -3.432   5.643
   22   HG21  THR   3          HG21      THR   3   5.365  -6.550   7.348
   23   HG22  THR   3          HG22      THR   3   6.914  -6.065   6.664
   24   HG23  THR   3          HG23      THR   3   5.987  -7.361   5.912
   25    H    LYS   4           HN       LYS   4   5.024  -6.323   2.163
   26    HA   LYS   4           HA       LYS   4   3.970  -3.882   0.990
   27    HB2  LYS   4           HB2      LYS   4   3.741  -5.109  -1.034
   28    HB3  LYS   4           HB1      LYS   4   5.267  -5.620  -0.327
   29    HG2  LYS   4           HG2      LYS   4   4.132  -7.626   0.560
   30    HG3  LYS   4           HG1      LYS   4   2.665  -7.120  -0.282
   31    HD2  LYS   4           HD2      LYS   4   5.323  -7.752  -1.568
   32    HD3  LYS   4           HD1      LYS   4   3.898  -8.789  -1.574
   33    HE2  LYS   4           HE2      LYS   4   4.080  -6.038  -2.797
   34    HE3  LYS   4           HE1      LYS   4   4.140  -7.561  -3.680
   35    HZ1  LYS   4           HZ1      LYS   4   1.838  -6.566  -2.088
   36    HZ2  LYS   4           HZ2      LYS   4   1.897  -8.045  -2.900
   37    HZ3  LYS   4           HZ3      LYS   4   1.940  -6.603  -3.775
   38    HA   PRO   5           HA       PRO   5  -0.233  -4.772   2.128
   39    HB2  PRO   5           HB2      PRO   5  -1.488  -3.095   0.448
   40    HB3  PRO   5           HB1      PRO   5  -0.506  -2.491   1.792
   41    HG2  PRO   5           HG2      PRO   5   0.152  -2.662  -1.099
   42    HG3  PRO   5           HG1      PRO   5   0.528  -1.388   0.078
   43    HD2  PRO   5           HD2      PRO   5   2.297  -3.335  -0.737
   44    HD3  PRO   5           HD1      PRO   5   2.416  -2.436   0.791
   45    H    THR   6           HN       THR   6  -2.346  -5.380   1.110
   46    HA   THR   6           HA       THR   6  -1.932  -6.955  -1.343
   47    HB   THR   6           HB       THR   6  -2.100  -8.404   0.653
   48    HG1  THR   6           HG1      THR   6  -4.503  -9.040  -0.487
   49   HG21  THR   6          HG21      THR   6  -4.865  -7.231   0.921
   50   HG22  THR   6          HG22      THR   6  -3.526  -7.012   2.048
   51   HG23  THR   6          HG23      THR   6  -4.245  -8.607   1.830
   52    H    LYS   7           HN       LYS   7  -3.661  -7.098  -2.782
   53    HA   LYS   7           HA       LYS   7  -5.144  -4.732  -3.117
   54    HB2  LYS   7           HB2      LYS   7  -5.333  -7.427  -4.446
   55    HB3  LYS   7           HB1      LYS   7  -6.324  -6.058  -4.927
   56    HG2  LYS   7           HG2      LYS   7  -3.314  -6.158  -4.982
   57    HG3  LYS   7           HG1      LYS   7  -4.385  -6.310  -6.376
   58    HD2  LYS   7           HD2      LYS   7  -5.288  -4.033  -5.798
   59    HD3  LYS   7           HD1      LYS   7  -3.993  -3.902  -4.606
   60    HE2  LYS   7           HE2      LYS   7  -3.621  -4.309  -7.572
   61    HE3  LYS   7           HE1      LYS   7  -3.411  -2.789  -6.706
   62    HZ1  LYS   7           HZ1      LYS   7  -1.827  -5.257  -6.251
   63    HZ2  LYS   7           HZ2      LYS   7  -1.614  -3.785  -5.448
   64    HZ3  LYS   7           HZ3      LYS   7  -1.302  -3.897  -7.104
   65    HA   PRO   8           HA       PRO   8  -8.637  -5.714  -0.457
   66    HB2  PRO   8           HB2      PRO   8  -9.653  -3.161  -1.524
   67    HB3  PRO   8           HB1      PRO   8  -9.317  -3.621   0.157
   68    HG2  PRO   8           HG2      PRO   8  -7.801  -1.855  -1.156
   69    HG3  PRO   8           HG1      PRO   8  -7.118  -2.978   0.038
   70    HD2  PRO   8           HD2      PRO   8  -7.049  -3.132  -2.953
   71    HD3  PRO   8           HD1      PRO   8  -5.779  -3.517  -1.767
   72    H    GLY   9           HN       GLY   9 -10.247  -6.995  -1.073
   73    HA2  GLY   9           HA2      GLY   9 -11.412  -6.647  -3.753
   74    HA3  GLY   9           HA1      GLY   9 -11.533  -8.098  -2.769
   75    H    ASP  10           HN       ASP  10 -12.735  -7.808  -0.675
   76    HA   ASP  10           HA       ASP  10 -15.244  -6.458  -1.230
   77    HB2  ASP  10           HB2      ASP  10 -14.351  -8.279   1.006
   78    HB3  ASP  10           HB1      ASP  10 -15.927  -7.498   0.981
   79    H    ASN  11           HN       ASN  11 -12.454  -6.109   0.799
   80    HA   ASN  11           HA       ASN  11 -13.625  -4.006   2.394
   81    HB2  ASN  11           HB2      ASN  11 -11.407  -3.842   3.449
   82    HB3  ASN  11           HB1      ASN  11 -12.013  -5.491   3.457
   83   HD21  ASN  11          HD21      ASN  11  -9.279  -4.424   3.656
   84   HD22  ASN  11          HD22      ASN  11  -8.386  -5.187   2.393
   85    H    ALA  12           HN       ALA  12 -12.943  -3.988  -0.649
   86    HA   ALA  12           HA       ALA  12 -11.130  -1.805  -0.976
   87    HB1  ALA  12           HB1      ALA  12 -11.405  -3.569  -2.663
   88    HB2  ALA  12           HB2      ALA  12 -11.677  -1.955  -3.326
   89    HB3  ALA  12           HB3      ALA  12 -13.049  -3.004  -2.963
   90    H    THR  13           HN       THR  13 -13.557  -1.361   0.683
   91    HA   THR  13           HA       THR  13 -15.448   0.258  -0.562
   92    HB   THR  13           HB       THR  13 -15.662   1.350   1.723
   93    HG1  THR  13           HG1      THR  13 -14.246   0.850   3.231
   94   HG21  THR  13          HG21      THR  13 -17.036  -0.549   1.051
   95   HG22  THR  13          HG22      THR  13 -16.608  -0.656   2.758
   96   HG23  THR  13          HG23      THR  13 -15.773  -1.662   1.575
   97    HA   PRO  14           HA       PRO  14 -13.281   3.701  -2.205
   98    HB2  PRO  14           HB2      PRO  14 -15.538   5.259  -1.003
   99    HB3  PRO  14           HB1      PRO  14 -14.885   5.316  -2.651
  100    HG2  PRO  14           HG2      PRO  14 -17.154   4.054  -2.116
  101    HG3  PRO  14           HG1      PRO  14 -16.004   3.436  -3.322
  102    HD2  PRO  14           HD2      PRO  14 -16.638   2.390  -0.621
  103    HD3  PRO  14           HD1      PRO  14 -16.012   1.542  -2.046
  104    H    GLU  15           HN       GLU  15 -14.565   4.035   1.075
  105    HA   GLU  15           HA       GLU  15 -13.006   6.293   1.769
  106    HB2  GLU  15           HB2      GLU  15 -14.390   4.236   3.483
  107    HB3  GLU  15           HB1      GLU  15 -13.667   5.712   4.104
  108    HG2  GLU  15           HG2      GLU  15 -15.213   7.040   2.777
  109    HG3  GLU  15           HG1      GLU  15 -15.912   5.566   2.108
  110    H    LYS  16           HN       LYS  16 -12.501   2.842   2.058
  111    HA   LYS  16           HA       LYS  16 -10.039   3.202   3.559
  112    HB2  LYS  16           HB2      LYS  16 -11.588   1.347   4.125
  113    HB3  LYS  16           HB1      LYS  16 -11.346   0.674   2.515
  114    HG2  LYS  16           HG2      LYS  16  -8.968   0.351   3.024
  115    HG3  LYS  16           HG1      LYS  16  -9.240   0.994   4.644
  116    HD2  LYS  16           HD2      LYS  16 -10.874  -0.822   5.044
  117    HD3  LYS  16           HD1      LYS  16 -10.469  -1.491   3.462
  118    HE2  LYS  16           HE2      LYS  16  -9.237  -2.676   5.158
  119    HE3  LYS  16           HE1      LYS  16  -8.119  -1.708   4.199
  120    HZ1  LYS  16           HZ1      LYS  16  -7.639  -1.546   6.561
  121    HZ2  LYS  16           HZ2      LYS  16  -9.193  -0.964   6.864
  122    HZ3  LYS  16           HZ3      LYS  16  -8.111  -0.043   5.948
  123    H    LEU  17           HN       LEU  17 -11.172   2.464   0.361
  124    HA   LEU  17           HA       LEU  17  -8.798   1.472  -0.766
  125    HB2  LEU  17           HB2      LEU  17 -11.094   1.304  -1.732
  126    HB3  LEU  17           HB1      LEU  17 -11.001   3.008  -2.129
  127    HG   LEU  17           HG       LEU  17  -9.126   2.544  -3.651
  128   HD11  LEU  17          HD11      LEU  17  -9.660  -0.331  -2.916
  129   HD12  LEU  17          HD12      LEU  17  -8.204   0.589  -2.548
  130   HD13  LEU  17          HD13      LEU  17  -8.606   0.213  -4.221
  131   HD21  LEU  17          HD21      LEU  17 -11.404   2.570  -4.494
  132   HD22  LEU  17          HD22      LEU  17 -11.583   0.860  -4.095
  133   HD23  LEU  17          HD23      LEU  17 -10.442   1.361  -5.345
  134    H    ALA  18           HN       ALA  18 -10.048   4.713  -0.313
  135    HA   ALA  18           HA       ALA  18  -8.138   6.088  -1.868
  136    HB1  ALA  18           HB1      ALA  18 -10.254   7.087  -1.166
  137    HB2  ALA  18           HB2      ALA  18  -8.881   8.075  -0.663
  138    HB3  ALA  18           HB3      ALA  18  -9.715   7.056   0.512
  139    H    LYS  19           HN       LYS  19  -8.290   5.316   1.596
  140    HA   LYS  19           HA       LYS  19  -5.788   6.485   2.236
  141    HB2  LYS  19           HB2      LYS  19  -7.566   5.968   3.910
  142    HB3  LYS  19           HB1      LYS  19  -7.217   4.256   3.700
  143    HG2  LYS  19           HG2      LYS  19  -4.965   4.577   4.529
  144    HG3  LYS  19           HG1      LYS  19  -5.242   6.314   4.673
  145    HD2  LYS  19           HD2      LYS  19  -7.058   5.841   6.294
  146    HD3  LYS  19           HD1      LYS  19  -6.652   4.126   6.198
  147    HE2  LYS  19           HE2      LYS  19  -4.779   6.312   7.094
  148    HE3  LYS  19           HE1      LYS  19  -5.661   5.228   8.164
  149    HZ1  LYS  19           HZ1      LYS  19  -3.635   4.394   6.158
  150    HZ2  LYS  19           HZ2      LYS  19  -4.478   3.362   7.199
  151    HZ3  LYS  19           HZ3      LYS  19  -3.389   4.490   7.828
  152    HA   4PH  20           HA       4PH  20  -4.403   1.918   1.445
  153    HB2  4PH  20           HB1      4PH  20  -6.536   1.673  -0.682
  154    HB3  4PH  20           HB2      4PH  20  -6.481   0.798   0.842
  155    HD2  4PH  20           HD2      4PH  20  -4.438  -0.724   1.222
  156    HD1  4PH  20           HD1      4PH  20  -5.639   0.730  -2.583
  157    HE2  4PH  20           HE2      4PH  20  -3.174  -2.523   0.141
  158    HE1  4PH  20           HE1      4PH  20  -4.374  -1.073  -3.679
  159    H33  4PH  20           H33      4PH  20  -2.603  -2.525  -3.421
  160   H33A  4PH  20          H33A      4PH  20  -2.047  -3.082  -1.841
  161   H33B  4PH  20          H33B      4PH  20  -3.499  -3.776  -2.567
  162    H    4PH  20           HN       4PH  20  -6.805   3.313   1.150
  163    H    GLN  21           HN       GLN  21  -5.562   3.945  -1.241
  164    HA   GLN  21           HA       GLN  21  -3.313   3.634  -2.898
  165    HB2  GLN  21           HB2      GLN  21  -5.254   5.935  -2.648
  166    HB3  GLN  21           HB1      GLN  21  -4.061   5.788  -3.932
  167    HG2  GLN  21           HG2      GLN  21  -6.189   3.740  -3.376
  168    HG3  GLN  21           HG1      GLN  21  -6.365   5.051  -4.540
  169   HE21  GLN  21          HE21      GLN  21  -4.688   2.075  -3.808
  170   HE22  GLN  21          HE22      GLN  21  -4.085   1.798  -5.401
  171    H    ALA  22           HN       ALA  22  -3.920   5.758  -0.174
  172    HA   ALA  22           HA       ALA  22  -1.562   7.337  -0.498
  173    HB1  ALA  22           HB1      ALA  22  -3.496   8.147   0.757
  174    HB2  ALA  22           HB2      ALA  22  -2.046   8.134   1.759
  175    HB3  ALA  22           HB3      ALA  22  -3.262   6.868   1.948
  176    H    ASP  23           HN       ASP  23  -2.433   4.440   1.254
  177    HA   ASP  23           HA       ASP  23  -0.034   4.101   2.702
  178    HB2  ASP  23           HB2      ASP  23  -2.044   2.873   3.304
  179    HB3  ASP  23           HB1      ASP  23  -2.052   2.055   1.744
  180    H    LEU  24           HN       LEU  24  -1.056   3.008  -0.507
  181    HA   LEU  24           HA       LEU  24   1.244   1.529  -1.138
  182    HB2  LEU  24           HB2      LEU  24  -0.888   2.857  -2.738
  183    HB3  LEU  24           HB1      LEU  24   0.575   2.355  -3.568
  184    HG   LEU  24           HG       LEU  24  -1.350   0.722  -3.632
  185   HD11  LEU  24          HD11      LEU  24   1.251  -0.218  -2.425
  186   HD12  LEU  24          HD12      LEU  24   0.934   0.049  -4.139
  187   HD13  LEU  24          HD13      LEU  24   0.080  -1.229  -3.271
  188   HD21  LEU  24          HD21      LEU  24  -1.676  -0.687  -1.668
  189   HD22  LEU  24          HD22      LEU  24  -2.109   0.990  -1.338
  190   HD23  LEU  24          HD23      LEU  24  -0.580   0.341  -0.745
  191    H    ALA  25           HN       ALA  25   0.589   4.965  -1.265
  192    HA   ALA  25           HA       ALA  25   2.889   5.712  -2.726
  193    HB1  ALA  25           HB1      ALA  25   1.403   7.283  -0.622
  194    HB2  ALA  25           HB2      ALA  25   0.997   7.226  -2.337
  195    HB3  ALA  25           HB3      ALA  25   2.523   7.941  -1.815
  196    H    LYS  26           HN       LYS  26   2.268   5.211   0.708
  197    HA   LYS  26           HA       LYS  26   4.798   5.963   1.686
  198    HB2  LYS  26           HB2      LYS  26   2.877   3.893   2.778
  199    HB3  LYS  26           HB1      LYS  26   4.213   4.610   3.661
  200    HG2  LYS  26           HG2      LYS  26   3.143   6.777   3.589
  201    HG3  LYS  26           HG1      LYS  26   1.836   6.122   2.599
  202    HD2  LYS  26           HD2      LYS  26   1.306   4.540   4.445
  203    HD3  LYS  26           HD1      LYS  26   2.523   5.348   5.433
  204    HE2  LYS  26           HE2      LYS  26   0.069   6.638   4.251
  205    HE3  LYS  26           HE1      LYS  26   0.263   6.147   5.932
  206    HZ1  LYS  26           HZ1      LYS  26   0.675   8.484   5.720
  207    HZ2  LYS  26           HZ2      LYS  26   1.826   8.229   4.509
  208    HZ3  LYS  26           HZ3      LYS  26   2.136   7.712   6.089
  209    HA   4PH  27           HA       4PH  27   5.727   1.296   1.294
  210    HB2  4PH  27           HB1      4PH  27   3.360   0.848  -0.515
  211    HB3  4PH  27           HB2      4PH  27   3.663   0.151   1.069
  212    HD2  4PH  27           HD2      4PH  27   3.621  -0.518  -2.318
  213    HD1  4PH  27           HD1      4PH  27   5.963  -1.270   1.159
  214    HE2  4PH  27           HE2      4PH  27   4.596  -2.486  -3.406
  215    HE1  4PH  27           HE1      4PH  27   6.935  -3.251   0.071
  216    H33  4PH  27           H33      4PH  27   7.279  -3.787  -2.888
  217   H33A  4PH  27          H33A      4PH  27   6.644  -4.831  -1.616
  218   H33B  4PH  27          H33B      4PH  27   5.678  -4.498  -3.059
  219    H    4PH  27           HN       4PH  27   3.457   2.847   0.697
  220    H    GLN  28           HN       GLN  28   4.631   2.702  -1.795
  221    HA   GLN  28           HA       GLN  28   6.685   1.579  -3.357
  222    HB2  GLN  28           HB2      GLN  28   5.018   4.061  -3.790
  223    HB3  GLN  28           HB1      GLN  28   6.116   3.402  -4.998
  224    HG2  GLN  28           HG2      GLN  28   4.828   1.374  -5.139
  225    HG3  GLN  28           HG1      GLN  28   3.806   1.879  -3.795
  226   HE21  GLN  28          HE21      GLN  28   2.313   3.542  -4.118
  227   HE22  GLN  28          HE22      GLN  28   1.767   3.973  -5.697
  228    H    LYS  29           HN       LYS  29   6.478   4.627  -1.606
  229    HA   LYS  29           HA       LYS  29   8.873   5.765  -2.543
  230    HB2  LYS  29           HB2      LYS  29   7.187   7.085  -1.381
  231    HB3  LYS  29           HB1      LYS  29   7.425   6.148   0.085
  232    HG2  LYS  29           HG2      LYS  29   9.720   6.991   0.243
  233    HG3  LYS  29           HG1      LYS  29   9.455   7.951  -1.212
  234    HD2  LYS  29           HD2      LYS  29   7.877   8.208   1.345
  235    HD3  LYS  29           HD1      LYS  29   9.206   9.264   0.868
  236    HE2  LYS  29           HE2      LYS  29   6.629   8.880  -0.654
  237    HE3  LYS  29           HE1      LYS  29   7.012  10.253   0.380
  238    HZ1  LYS  29           HZ1      LYS  29   8.427   9.487  -2.117
  239    HZ2  LYS  29           HZ2      LYS  29   8.888  10.755  -1.100
  240    HZ3  LYS  29           HZ3      LYS  29   7.405  10.818  -1.906
  241    H    ASP  30           HN       ASP  30   8.164   3.741   0.273
  242    HA   ASP  30           HA       ASP  30  10.844   3.838   1.265
  243    HB2  ASP  30           HB2      ASP  30   8.930   3.451   2.765
  244    HB3  ASP  30           HB1      ASP  30   8.607   1.918   1.962
  245    H    LEU  31           HN       LEU  31   9.021   1.632  -0.773
  246    HA   LEU  31           HA       LEU  31  10.915  -0.455  -0.880
  247    HB2  LEU  31           HB2      LEU  31   8.436  -0.290  -1.743
  248    HB3  LEU  31           HB1      LEU  31   9.184   0.281  -3.216
  249    HG   LEU  31           HG       LEU  31   8.609  -2.126  -3.257
  250   HD11  LEU  31          HD11      LEU  31  10.361  -1.310  -4.717
  251   HD12  LEU  31          HD12      LEU  31  10.742  -2.931  -4.135
  252   HD13  LEU  31          HD13      LEU  31  11.552  -1.527  -3.435
  253   HD21  LEU  31          HD21      LEU  31  10.789  -2.421  -1.207
  254   HD22  LEU  31          HD22      LEU  31   9.839  -3.711  -1.944
  255   HD23  LEU  31          HD23      LEU  31   9.064  -2.545  -0.869
  256    H    ALA  32           HN       ALA  32  10.455   2.474  -2.792
  257    HA   ALA  32           HA       ALA  32  12.514   2.072  -4.656
  258    HB1  ALA  32           HB1      ALA  32  10.765   3.753  -4.932
  259    HB2  ALA  32           HB2      ALA  32  12.370   4.474  -5.050
  260    HB3  ALA  32           HB3      ALA  32  11.424   4.663  -3.573
  261    H    ASP  33           HN       ASP  33  12.500   3.321  -1.400
  262    HA   ASP  33           HA       ASP  33  15.200   4.270  -1.458
  263    HB2  ASP  33           HB2      ASP  33  13.674   5.285   0.102
  264    HB3  ASP  33           HB1      ASP  33  13.293   3.727   0.822
  265    HA   4PH  34           HA       4PH  34  15.901   0.174   0.864
  266    HB2  4PH  34           HB1      4PH  34  13.388  -1.149  -0.175
  267    HB3  4PH  34           HB2      4PH  34  13.611  -0.520   1.451
  268    HD2  4PH  34           HD2      4PH  34  15.697  -1.504   2.727
  269    HD1  4PH  34           HD1      4PH  34  13.717  -3.407  -0.525
  270    HE2  4PH  34           HE2      4PH  34  16.575  -3.678   3.467
  271    HE1  4PH  34           HE1      4PH  34  14.594  -5.583   0.208
  272    H33  4PH  34           H33      4PH  34  15.434  -6.444   2.988
  273   H33A  4PH  34          H33A      4PH  34  16.272  -6.637   1.447
  274   H33B  4PH  34          H33B      4PH  34  17.077  -5.841   2.806
  275    H    4PH  34           HN       4PH  34  13.599   1.347  -0.275
  276    HN1  NH2  35           HN1      NH2  35  14.204  -0.647  -2.144
  277    HN2  NH2  35           HN2      NH2  35  15.597  -1.255  -2.969
  Start of MODEL    3
    1    H1   ACE   0           HA1      ACE   0  14.967  -4.597   5.390
    2    H2   ACE   0           HA2      ACE   0  14.158  -4.158   3.887
    3    H3   ACE   0           HA3      ACE   0  15.494  -5.304   3.835
    4    HA   PRO   1           HA       PRO   1  13.364  -5.592   1.857
    5    HB2  PRO   1           HB2      PRO   1  11.711  -8.029   1.470
    6    HB3  PRO   1           HB1      PRO   1  12.949  -7.325   0.410
    7    HG2  PRO   1           HG2      PRO   1  13.405  -9.567   1.759
    8    HG3  PRO   1           HG1      PRO   1  14.681  -8.355   1.500
    9    HD2  PRO   1           HD2      PRO   1  13.074  -8.903   3.964
   10    HD3  PRO   1           HD1      PRO   1  14.791  -8.470   3.804
   11    HA   PRO   2           HA       PRO   2   9.555  -3.859   3.271
   12    HB2  PRO   2           HB2      PRO   2   8.786  -2.635   0.914
   13    HB3  PRO   2           HB1      PRO   2   9.982  -1.968   2.044
   14    HG2  PRO   2           HG2      PRO   2  10.396  -3.373  -0.524
   15    HG3  PRO   2           HG1      PRO   2  11.326  -2.063   0.223
   16    HD2  PRO   2           HD2      PRO   2  12.136  -4.674   0.214
   17    HD3  PRO   2           HD1      PRO   2  12.618  -3.493   1.445
   18    H    THR   3           HN       THR   3   7.642  -4.809   3.545
   19    HA   THR   3           HA       THR   3   6.693  -6.775   1.643
   20    HB   THR   3           HB       THR   3   4.856  -7.079   3.361
   21    HG1  THR   3           HG1      THR   3   5.433  -4.817   4.218
   22   HG21  THR   3          HG21      THR   3   6.865  -8.495   3.309
   23   HG22  THR   3          HG22      THR   3   6.285  -8.236   4.955
   24   HG23  THR   3          HG23      THR   3   7.690  -7.349   4.365
   25    H    LYS   4           HN       LYS   4   5.337  -6.293   0.042
   26    HA   LYS   4           HA       LYS   4   4.096  -3.764  -0.221
   27    HB2  LYS   4           HB2      LYS   4   3.043  -4.628  -2.211
   28    HB3  LYS   4           HB1      LYS   4   4.679  -5.267  -2.151
   29    HG2  LYS   4           HG2      LYS   4   3.837  -7.382  -1.313
   30    HG3  LYS   4           HG1      LYS   4   2.193  -6.743  -1.330
   31    HD2  LYS   4           HD2      LYS   4   3.961  -6.999  -3.760
   32    HD3  LYS   4           HD1      LYS   4   2.735  -8.174  -3.290
   33    HE2  LYS   4           HE2      LYS   4   1.034  -6.367  -3.429
   34    HE3  LYS   4           HE1      LYS   4   2.287  -5.287  -4.039
   35    HZ1  LYS   4           HZ1      LYS   4   1.391  -7.805  -5.335
   36    HZ2  LYS   4           HZ2      LYS   4   2.593  -6.770  -5.925
   37    HZ3  LYS   4           HZ3      LYS   4   0.990  -6.241  -5.834
   38    HA   PRO   5           HA       PRO   5   0.395  -4.257   2.169
   39    HB2  PRO   5           HB2      PRO   5  -1.265  -2.647   0.685
   40    HB3  PRO   5           HB1      PRO   5  -0.081  -2.039   1.848
   41    HG2  PRO   5           HG2      PRO   5   0.100  -2.212  -1.111
   42    HG3  PRO   5           HG1      PRO   5   0.656  -0.937  -0.010
   43    HD2  PRO   5           HD2      PRO   5   2.340  -2.737  -1.091
   44    HD3  PRO   5           HD1      PRO   5   2.589  -2.059   0.535
   45    H    THR   6           HN       THR   6  -1.708  -5.187   2.081
   46    HA   THR   6           HA       THR   6  -1.940  -7.133  -0.062
   47    HB   THR   6           HB       THR   6  -2.112  -7.861   2.305
   48    HG1  THR   6           HG1      THR   6  -4.652  -8.413   1.317
   49   HG21  THR   6          HG21      THR   6  -4.181  -7.432   3.551
   50   HG22  THR   6          HG22      THR   6  -4.718  -6.339   2.277
   51   HG23  THR   6          HG23      THR   6  -3.294  -5.942   3.237
   52    H    LYS   7           HN       LYS   7  -3.499  -7.226  -1.548
   53    HA   LYS   7           HA       LYS   7  -4.930  -4.891  -2.235
   54    HB2  LYS   7           HB2      LYS   7  -5.179  -7.718  -3.254
   55    HB3  LYS   7           HB1      LYS   7  -5.956  -6.327  -3.992
   56    HG2  LYS   7           HG2      LYS   7  -2.979  -6.617  -3.661
   57    HG3  LYS   7           HG1      LYS   7  -3.865  -7.070  -5.115
   58    HD2  LYS   7           HD2      LYS   7  -3.739  -4.298  -3.914
   59    HD3  LYS   7           HD1      LYS   7  -2.848  -4.854  -5.332
   60    HE2  LYS   7           HE2      LYS   7  -5.847  -4.663  -5.066
   61    HE3  LYS   7           HE1      LYS   7  -4.809  -3.583  -5.991
   62    HZ1  LYS   7           HZ1      LYS   7  -4.212  -5.408  -7.425
   63    HZ2  LYS   7           HZ2      LYS   7  -5.890  -5.243  -7.387
   64    HZ3  LYS   7           HZ3      LYS   7  -5.145  -6.484  -6.517
   65    HA   PRO   8           HA       PRO   8  -8.677  -5.627   0.153
   66    HB2  PRO   8           HB2      PRO   8  -9.635  -3.235  -1.250
   67    HB3  PRO   8           HB1      PRO   8  -9.376  -3.481   0.486
   68    HG2  PRO   8           HG2      PRO   8  -7.834  -1.849  -0.983
   69    HG3  PRO   8           HG1      PRO   8  -7.207  -2.762   0.404
   70    HD2  PRO   8           HD2      PRO   8  -6.932  -3.350  -2.520
   71    HD3  PRO   8           HD1      PRO   8  -5.731  -3.504  -1.213
   72    H    GLY   9           HN       GLY   9 -10.357  -6.873  -0.467
   73    HA2  GLY   9           HA2      GLY   9 -11.029  -6.944  -3.328
   74    HA3  GLY   9           HA1      GLY   9 -11.419  -8.192  -2.157
   75    H    ASP  10           HN       ASP  10 -12.940  -7.504  -0.408
   76    HA   ASP  10           HA       ASP  10 -15.216  -6.173  -1.620
   77    HB2  ASP  10           HB2      ASP  10 -14.906  -7.564   1.053
   78    HB3  ASP  10           HB1      ASP  10 -16.410  -6.875   0.454
   79    H    ASN  11           HN       ASN  11 -12.779  -5.610   0.782
   80    HA   ASN  11           HA       ASN  11 -14.098  -3.264   1.843
   81    HB2  ASN  11           HB2      ASN  11 -12.304  -3.088   3.384
   82    HB3  ASN  11           HB1      ASN  11 -12.630  -4.807   3.226
   83   HD21  ASN  11          HD21      ASN  11 -10.362  -2.269   2.722
   84   HD22  ASN  11          HD22      ASN  11  -9.038  -3.260   2.239
   85    H    ALA  12           HN       ALA  12 -12.878  -3.722  -1.011
   86    HA   ALA  12           HA       ALA  12 -10.990  -1.586  -1.296
   87    HB1  ALA  12           HB1      ALA  12 -12.497  -3.074  -3.437
   88    HB2  ALA  12           HB2      ALA  12 -10.967  -3.596  -2.733
   89    HB3  ALA  12           HB3      ALA  12 -11.049  -2.091  -3.654
   90    H    THR  13           HN       THR  13 -13.725  -1.028  -0.238
   91    HA   THR  13           HA       THR  13 -15.214   0.457  -2.117
   92    HB   THR  13           HB       THR  13 -16.167   1.574  -0.058
   93    HG1  THR  13           HG1      THR  13 -15.518   0.455   1.941
   94   HG21  THR  13          HG21      THR  13 -16.106  -1.444  -0.034
   95   HG22  THR  13          HG22      THR  13 -17.157  -0.448  -1.038
   96   HG23  THR  13          HG23      THR  13 -17.331  -0.420   0.714
   97    HA   PRO  14           HA       PRO  14 -12.804   4.073  -2.903
   98    HB2  PRO  14           HB2      PRO  14 -15.337   5.537  -2.291
   99    HB3  PRO  14           HB1      PRO  14 -14.271   5.678  -3.699
  100    HG2  PRO  14           HG2      PRO  14 -16.585   4.390  -3.846
  101    HG3  PRO  14           HG1      PRO  14 -15.146   3.838  -4.735
  102    HD2  PRO  14           HD2      PRO  14 -16.444   2.655  -2.343
  103    HD3  PRO  14           HD1      PRO  14 -15.473   1.878  -3.607
  104    H    GLU  15           HN       GLU  15 -14.743   3.820  -0.023
  105    HA   GLU  15           HA       GLU  15 -13.776   6.114   1.339
  106    HB2  GLU  15           HB2      GLU  15 -15.001   3.582   2.440
  107    HB3  GLU  15           HB1      GLU  15 -14.851   5.110   3.296
  108    HG2  GLU  15           HG2      GLU  15 -16.434   6.155   1.909
  109    HG3  GLU  15           HG1      GLU  15 -16.369   4.846   0.731
  110    H    LYS  16           HN       LYS  16 -12.963   2.653   1.552
  111    HA   LYS  16           HA       LYS  16 -10.800   3.232   3.406
  112    HB2  LYS  16           HB2      LYS  16 -12.245   1.270   3.814
  113    HB3  LYS  16           HB1      LYS  16 -11.750   0.587   2.266
  114    HG2  LYS  16           HG2      LYS  16 -10.524  -0.504   3.995
  115    HG3  LYS  16           HG1      LYS  16  -9.409   0.540   3.113
  116    HD2  LYS  16           HD2      LYS  16  -9.810   2.276   4.902
  117    HD3  LYS  16           HD1      LYS  16 -10.654   1.025   5.813
  118    HE2  LYS  16           HE2      LYS  16  -7.779   0.959   4.915
  119    HE3  LYS  16           HE1      LYS  16  -8.353   1.221   6.558
  120    HZ1  LYS  16           HZ1      LYS  16  -8.639  -1.265   4.958
  121    HZ2  LYS  16           HZ2      LYS  16  -9.336  -1.022   6.477
  122    HZ3  LYS  16           HZ3      LYS  16  -7.656  -1.037   6.314
  123    H    LEU  17           HN       LEU  17 -11.337   2.475   0.078
  124    HA   LEU  17           HA       LEU  17  -8.802   1.547  -0.658
  125    HB2  LEU  17           HB2      LEU  17 -10.885   1.448  -2.028
  126    HB3  LEU  17           HB1      LEU  17 -10.721   3.166  -2.321
  127    HG   LEU  17           HG       LEU  17  -8.632   2.775  -3.535
  128   HD11  LEU  17          HD11      LEU  17  -7.886   0.792  -2.304
  129   HD12  LEU  17          HD12      LEU  17  -7.910   0.502  -4.042
  130   HD13  LEU  17          HD13      LEU  17  -9.196  -0.142  -3.021
  131   HD21  LEU  17          HD21      LEU  17 -10.731   2.762  -4.756
  132   HD22  LEU  17          HD22      LEU  17 -10.934   1.042  -4.416
  133   HD23  LEU  17          HD23      LEU  17  -9.613   1.587  -5.452
  134    H    ALA  18           HN       ALA  18 -10.081   4.750  -0.172
  135    HA   ALA  18           HA       ALA  18  -8.009   6.244  -1.342
  136    HB1  ALA  18           HB1      ALA  18 -10.184   7.196  -0.783
  137    HB2  ALA  18           HB2      ALA  18  -8.880   8.110  -0.027
  138    HB3  ALA  18           HB3      ALA  18  -9.842   6.985   0.933
  139    H    LYS  19           HN       LYS  19  -8.493   5.015   1.938
  140    HA   LYS  19           HA       LYS  19  -6.089   6.114   2.986
  141    HB2  LYS  19           HB2      LYS  19  -7.936   5.443   4.455
  142    HB3  LYS  19           HB1      LYS  19  -7.728   3.767   3.965
  143    HG2  LYS  19           HG2      LYS  19  -5.476   3.769   4.932
  144    HG3  LYS  19           HG1      LYS  19  -5.713   5.437   5.457
  145    HD2  LYS  19           HD2      LYS  19  -7.580   4.738   6.864
  146    HD3  LYS  19           HD1      LYS  19  -7.379   3.072   6.318
  147    HE2  LYS  19           HE2      LYS  19  -6.351   3.343   8.488
  148    HE3  LYS  19           HE1      LYS  19  -5.107   3.060   7.274
  149    HZ1  LYS  19           HZ1      LYS  19  -4.638   5.420   7.239
  150    HZ2  LYS  19           HZ2      LYS  19  -4.494   4.825   8.815
  151    HZ3  LYS  19           HZ3      LYS  19  -5.861   5.714   8.370
  152    HA   4PH  20           HA       4PH  20  -4.575   1.691   1.925
  153    HB2  4PH  20           HB1      4PH  20  -6.517   1.466  -0.381
  154    HB3  4PH  20           HB2      4PH  20  -6.599   0.574   1.132
  155    HD2  4PH  20           HD2      4PH  20  -4.462  -0.834   1.699
  156    HD1  4PH  20           HD1      4PH  20  -5.549   0.464  -2.197
  157    HE2  4PH  20           HE2      4PH  20  -3.074  -2.605   0.726
  158    HE1  4PH  20           HE1      4PH  20  -4.162  -1.308  -3.182
  159    H33  4PH  20           H33      4PH  20  -3.255  -3.946  -1.961
  160   H33A  4PH  20          H33A      4PH  20  -2.352  -2.692  -2.807
  161   H33B  4PH  20          H33B      4PH  20  -1.869  -3.198  -1.185
  162    H    4PH  20           HN       4PH  20  -6.969   3.077   1.463
  163    H    GLN  21           HN       GLN  21  -5.535   3.924  -0.657
  164    HA   GLN  21           HA       GLN  21  -3.239   3.678  -2.248
  165    HB2  GLN  21           HB2      GLN  21  -5.031   6.070  -1.819
  166    HB3  GLN  21           HB1      GLN  21  -3.807   5.960  -3.077
  167    HG2  GLN  21           HG2      GLN  21  -6.248   4.229  -2.777
  168    HG3  GLN  21           HG1      GLN  21  -5.971   5.471  -3.998
  169   HE21  GLN  21          HE21      GLN  21  -5.254   2.248  -2.972
  170   HE22  GLN  21          HE22      GLN  21  -4.457   1.740  -4.414
  171    H    ALA  22           HN       ALA  22  -3.758   5.316   0.762
  172    HA   ALA  22           HA       ALA  22  -1.448   6.977   0.684
  173    HB1  ALA  22           HB1      ALA  22  -1.832   7.207   3.111
  174    HB2  ALA  22           HB2      ALA  22  -3.071   5.954   3.008
  175    HB3  ALA  22           HB3      ALA  22  -3.295   7.486   2.165
  176    H    ASP  23           HN       ASP  23  -2.171   3.747   1.851
  177    HA   ASP  23           HA       ASP  23   0.330   3.236   3.086
  178    HB2  ASP  23           HB2      ASP  23  -1.942   1.906   3.198
  179    HB3  ASP  23           HB1      ASP  23  -1.286   1.055   1.803
  180    H    LEU  24           HN       LEU  24  -0.899   2.846  -0.185
  181    HA   LEU  24           HA       LEU  24   1.344   1.541  -1.281
  182    HB2  LEU  24           HB2      LEU  24  -0.902   3.137  -2.419
  183    HB3  LEU  24           HB1      LEU  24   0.490   2.819  -3.435
  184    HG   LEU  24           HG       LEU  24  -1.374   1.216  -3.766
  185   HD11  LEU  24          HD11      LEU  24   0.919   0.588  -4.319
  186   HD12  LEU  24          HD12      LEU  24   0.000  -0.796  -3.727
  187   HD13  LEU  24          HD13      LEU  24   1.163   0.005  -2.674
  188   HD21  LEU  24          HD21      LEU  24  -0.691   0.353  -0.964
  189   HD22  LEU  24          HD22      LEU  24  -1.785  -0.484  -2.065
  190   HD23  LEU  24          HD23      LEU  24  -2.188   1.129  -1.478
  191    H    ALA  25           HN       ALA  25   0.594   4.946  -0.791
  192    HA   ALA  25           HA       ALA  25   2.742   6.026  -2.239
  193    HB1  ALA  25           HB1      ALA  25   1.394   7.124   0.226
  194    HB2  ALA  25           HB2      ALA  25   0.869   7.373  -1.440
  195    HB3  ALA  25           HB3      ALA  25   2.408   8.038  -0.892
  196    H    LYS  26           HN       LYS  26   2.490   4.856   1.073
  197    HA   LYS  26           HA       LYS  26   5.116   5.585   1.861
  198    HB2  LYS  26           HB2      LYS  26   3.315   3.406   2.939
  199    HB3  LYS  26           HB1      LYS  26   4.749   4.032   3.737
  200    HG2  LYS  26           HG2      LYS  26   3.699   6.217   3.938
  201    HG3  LYS  26           HG1      LYS  26   2.269   5.615   3.099
  202    HD2  LYS  26           HD2      LYS  26   1.978   3.936   4.903
  203    HD3  LYS  26           HD1      LYS  26   3.331   4.679   5.760
  204    HE2  LYS  26           HE2      LYS  26   2.108   6.800   5.838
  205    HE3  LYS  26           HE1      LYS  26   0.759   6.050   4.990
  206    HZ1  LYS  26           HZ1      LYS  26   1.775   5.300   7.674
  207    HZ2  LYS  26           HZ2      LYS  26   0.533   4.501   6.856
  208    HZ3  LYS  26           HZ3      LYS  26   0.329   6.108   7.341
  209    HA   4PH  27           HA       4PH  27   5.973   1.039   0.681
  210    HB2  4PH  27           HB1      4PH  27   3.480   0.890  -1.008
  211    HB3  4PH  27           HB2      4PH  27   3.870  -0.049   0.422
  212    HD2  4PH  27           HD2      4PH  27   3.530  -0.244  -2.974
  213    HD1  4PH  27           HD1      4PH  27   6.229  -1.405   0.108
  214    HE2  4PH  27           HE2      4PH  27   4.391  -2.035  -4.412
  215    HE1  4PH  27           HE1      4PH  27   7.094  -3.205  -1.329
  216    H33  4PH  27           H33      4PH  27   7.107  -3.364  -4.357
  217   H33A  4PH  27          H33A      4PH  27   6.611  -4.567  -3.163
  218   H33B  4PH  27          H33B      4PH  27   5.494  -4.064  -4.439
  219    H    4PH  27           HN       4PH  27   3.674   2.669   0.517
  220    H    GLN  28           HN       GLN  28   4.638   2.969  -2.001
  221    HA   GLN  28           HA       GLN  28   6.585   2.160  -3.876
  222    HB2  GLN  28           HB2      GLN  28   4.820   4.612  -3.807
  223    HB3  GLN  28           HB1      GLN  28   5.833   4.172  -5.179
  224    HG2  GLN  28           HG2      GLN  28   4.603   2.064  -5.413
  225    HG3  GLN  28           HG1      GLN  28   3.593   2.497  -4.037
  226   HE21  GLN  28          HE21      GLN  28   3.544   5.333  -4.886
  227   HE22  GLN  28          HE22      GLN  28   2.437   5.394  -6.206
  228    H    LYS  29           HN       LYS  29   6.514   4.800  -1.546
  229    HA   LYS  29           HA       LYS  29   8.883   6.068  -2.463
  230    HB2  LYS  29           HB2      LYS  29   7.391   7.292  -1.014
  231    HB3  LYS  29           HB1      LYS  29   7.536   6.075   0.246
  232    HG2  LYS  29           HG2      LYS  29   9.927   6.651   0.477
  233    HG3  LYS  29           HG1      LYS  29   9.707   7.927  -0.718
  234    HD2  LYS  29           HD2      LYS  29   7.911   7.887   1.655
  235    HD3  LYS  29           HD1      LYS  29   9.576   8.415   1.877
  236    HE2  LYS  29           HE2      LYS  29   8.201  10.340   1.463
  237    HE3  LYS  29           HE1      LYS  29   9.244  10.076   0.070
  238    HZ1  LYS  29           HZ1      LYS  29   6.898  10.630  -0.471
  239    HZ2  LYS  29           HZ2      LYS  29   6.431   9.152   0.199
  240    HZ3  LYS  29           HZ3      LYS  29   7.440   9.184  -1.155
  241    H    ASP  30           HN       ASP  30   8.237   3.643   0.034
  242    HA   ASP  30           HA       ASP  30  10.951   3.500   0.904
  243    HB2  ASP  30           HB2      ASP  30   9.078   2.929   2.400
  244    HB3  ASP  30           HB1      ASP  30   8.681   1.550   1.379
  245    H    LEU  31           HN       LEU  31   9.054   1.772  -1.472
  246    HA   LEU  31           HA       LEU  31  10.815  -0.395  -1.882
  247    HB2  LEU  31           HB2      LEU  31   8.380   0.017  -2.728
  248    HB3  LEU  31           HB1      LEU  31   9.160   0.821  -4.072
  249    HG   LEU  31           HG       LEU  31   8.484  -1.544  -4.511
  250   HD11  LEU  31          HD11      LEU  31  10.558  -2.197  -5.613
  251   HD12  LEU  31          HD12      LEU  31  11.434  -0.972  -4.693
  252   HD13  LEU  31          HD13      LEU  31  10.204  -0.487  -5.861
  253   HD21  LEU  31          HD21      LEU  31   9.042  -2.360  -2.238
  254   HD22  LEU  31          HD22      LEU  31  10.752  -2.236  -2.661
  255   HD23  LEU  31          HD23      LEU  31   9.705  -3.348  -3.540
  256    H    ALA  32           HN       ALA  32  10.496   2.727  -3.539
  257    HA   ALA  32           HA       ALA  32  12.728   2.451  -5.226
  258    HB1  ALA  32           HB1      ALA  32  12.602   4.889  -5.449
  259    HB2  ALA  32           HB2      ALA  32  11.487   4.950  -4.085
  260    HB3  ALA  32           HB3      ALA  32  11.010   4.144  -5.577
  261    H    ASP  33           HN       ASP  33  12.328   3.676  -1.970
  262    HA   ASP  33           HA       ASP  33  14.919   4.668  -1.553
  263    HB2  ASP  33           HB2      ASP  33  13.036   5.175  -0.054
  264    HB3  ASP  33           HB1      ASP  33  12.987   3.494   0.463
  265    HA   4PH  34           HA       4PH  34  15.843   0.291   0.078
  266    HB2  4PH  34           HB1      4PH  34  13.607  -1.059  -1.451
  267    HB3  4PH  34           HB2      4PH  34  13.549  -0.669   0.263
  268    HD2  4PH  34           HD2      4PH  34  14.427  -3.122  -2.137
  269    HD1  4PH  34           HD1      4PH  34  15.393  -1.667   1.742
  270    HE2  4PH  34           HE2      4PH  34  15.482  -5.275  -1.599
  271    HE1  4PH  34           HE1      4PH  34  16.452  -3.817   2.291
  272    H33  4PH  34           H33      4PH  34  17.673  -5.851   0.416
  273   H33A  4PH  34          H33A      4PH  34  16.534  -6.084   1.742
  274   H33B  4PH  34          H33B      4PH  34  16.147  -6.673   0.122
  275    H    4PH  34           HN       4PH  34  13.532   1.462  -1.055
  276    HN1  NH2  35           HN1      NH2  35  14.668   0.636  -3.202
  277    HN2  NH2  35           HN2      NH2  35  16.090   0.047  -3.988
  Start of MODEL    4
    1    H1   ACE   0           HA1      ACE   0  14.617  -2.394   5.829
    2    H2   ACE   0           HA2      ACE   0  13.665  -0.973   6.252
    3    H3   ACE   0           HA3      ACE   0  13.338  -1.797   4.730
    4    HA   PRO   1           HA       PRO   1  12.823  -4.010   3.922
    5    HB2  PRO   1           HB2      PRO   1  11.389  -6.370   4.089
    6    HB3  PRO   1           HB1      PRO   1  13.161  -6.270   4.166
    7    HG2  PRO   1           HG2      PRO   1  11.186  -6.522   6.378
    8    HG3  PRO   1           HG1      PRO   1  12.776  -7.295   6.181
    9    HD2  PRO   1           HD2      PRO   1  12.426  -5.179   7.813
   10    HD3  PRO   1           HD1      PRO   1  13.930  -5.418   6.897
   11    HA   PRO   2           HA       PRO   2   8.701  -2.242   3.639
   12    HB2  PRO   2           HB2      PRO   2   8.735  -1.880   0.919
   13    HB3  PRO   2           HB1      PRO   2   9.530  -0.773   2.060
   14    HG2  PRO   2           HG2      PRO   2  10.705  -2.918   0.380
   15    HG3  PRO   2           HG1      PRO   2  11.342  -1.315   0.789
   16    HD2  PRO   2           HD2      PRO   2  12.190  -3.605   1.994
   17    HD3  PRO   2           HD1      PRO   2  12.204  -2.021   2.795
   18    H    THR   3           HN       THR   3   6.908  -3.448   3.689
   19    HA   THR   3           HA       THR   3   6.805  -5.885   2.074
   20    HB   THR   3           HB       THR   3   4.783  -6.375   3.582
   21    HG1  THR   3           HG1      THR   3   5.885  -4.786   5.553
   22   HG21  THR   3          HG21      THR   3   6.957  -7.498   3.791
   23   HG22  THR   3          HG22      THR   3   6.200  -7.240   5.362
   24   HG23  THR   3          HG23      THR   3   7.523  -6.198   4.838
   25    H    LYS   4           HN       LYS   4   5.462  -6.085   0.414
   26    HA   LYS   4           HA       LYS   4   3.964  -3.856  -0.497
   27    HB2  LYS   4           HB2      LYS   4   3.295  -5.281  -2.368
   28    HB3  LYS   4           HB1      LYS   4   5.021  -5.404  -2.064
   29    HG2  LYS   4           HG2      LYS   4   4.634  -7.524  -0.874
   30    HG3  LYS   4           HG1      LYS   4   2.919  -7.401  -1.273
   31    HD2  LYS   4           HD2      LYS   4   3.452  -7.466  -3.649
   32    HD3  LYS   4           HD1      LYS   4   5.176  -7.514  -3.277
   33    HE2  LYS   4           HE2      LYS   4   4.477  -9.739  -3.788
   34    HE3  LYS   4           HE1      LYS   4   4.780  -9.650  -2.056
   35    HZ1  LYS   4           HZ1      LYS   4   2.751 -10.859  -2.541
   36    HZ2  LYS   4           HZ2      LYS   4   2.112  -9.519  -3.350
   37    HZ3  LYS   4           HZ3      LYS   4   2.403  -9.443  -1.688
   38    HA   PRO   5           HA       PRO   5   0.158  -4.662   1.652
   39    HB2  PRO   5           HB2      PRO   5  -1.400  -2.935   0.248
   40    HB3  PRO   5           HB1      PRO   5  -0.236  -2.401   1.469
   41    HG2  PRO   5           HG2      PRO   5   0.012  -2.418  -1.493
   42    HG3  PRO   5           HG1      PRO   5   0.524  -1.191  -0.319
   43    HD2  PRO   5           HD2      PRO   5   2.236  -2.963  -1.445
   44    HD3  PRO   5           HD1      PRO   5   2.470  -2.287   0.184
   45    H    THR   6           HN       THR   6  -1.999  -5.468   1.237
   46    HA   THR   6           HA       THR   6  -2.025  -7.180  -1.143
   47    HB   THR   6           HB       THR   6  -2.099  -8.346   1.017
   48    HG1  THR   6           HG1      THR   6  -3.322  -9.767   0.065
   49   HG21  THR   6          HG21      THR   6  -4.704  -6.882   1.424
   50   HG22  THR   6          HG22      THR   6  -3.230  -6.683   2.370
   51   HG23  THR   6          HG23      THR   6  -4.113  -8.207   2.425
   52    H    LYS   7           HN       LYS   7  -3.774  -7.301  -2.500
   53    HA   LYS   7           HA       LYS   7  -5.264  -4.959  -2.938
   54    HB2  LYS   7           HB2      LYS   7  -5.759  -7.756  -3.964
   55    HB3  LYS   7           HB1      LYS   7  -6.513  -6.304  -4.600
   56    HG2  LYS   7           HG2      LYS   7  -3.563  -6.907  -4.638
   57    HG3  LYS   7           HG1      LYS   7  -4.667  -7.084  -6.000
   58    HD2  LYS   7           HD2      LYS   7  -3.876  -4.525  -4.605
   59    HD3  LYS   7           HD1      LYS   7  -3.473  -5.017  -6.249
   60    HE2  LYS   7           HE2      LYS   7  -6.217  -4.348  -5.184
   61    HE3  LYS   7           HE1      LYS   7  -5.250  -3.378  -6.291
   62    HZ1  LYS   7           HZ1      LYS   7  -6.940  -4.598  -7.480
   63    HZ2  LYS   7           HZ2      LYS   7  -6.374  -6.066  -6.866
   64    HZ3  LYS   7           HZ3      LYS   7  -5.411  -5.167  -7.923
   65    HA   PRO   8           HA       PRO   8  -8.598  -5.636   0.026
   66    HB2  PRO   8           HB2      PRO   8  -9.712  -3.252  -1.315
   67    HB3  PRO   8           HB1      PRO   8  -9.310  -3.493   0.397
   68    HG2  PRO   8           HG2      PRO   8  -7.872  -1.888  -1.174
   69    HG3  PRO   8           HG1      PRO   8  -7.127  -2.852   0.119
   70    HD2  PRO   8           HD2      PRO   8  -7.156  -3.354  -2.833
   71    HD3  PRO   8           HD1      PRO   8  -5.843  -3.595  -1.654
   72    H    GLY   9           HN       GLY   9 -10.428  -6.782  -0.237
   73    HA2  GLY   9           HA2      GLY   9 -11.436  -7.122  -2.978
   74    HA3  GLY   9           HA1      GLY   9 -11.700  -8.239  -1.648
   75    H    ASP  10           HN       ASP  10 -13.015  -7.349   0.188
   76    HA   ASP  10           HA       ASP  10 -15.385  -6.046  -0.894
   77    HB2  ASP  10           HB2      ASP  10 -15.717  -7.990   0.548
   78    HB3  ASP  10           HB1      ASP  10 -14.824  -7.209   1.851
   79    H    ASN  11           HN       ASN  11 -12.742  -5.436   1.257
   80    HA   ASN  11           HA       ASN  11 -13.810  -2.975   2.291
   81    HB2  ASN  11           HB2      ASN  11 -11.604  -2.738   3.384
   82    HB3  ASN  11           HB1      ASN  11 -12.346  -4.298   3.711
   83   HD21  ASN  11          HD21      ASN  11  -9.535  -3.465   3.802
   84   HD22  ASN  11          HD22      ASN  11  -8.694  -4.536   2.744
   85    H    ALA  12           HN       ALA  12 -12.971  -3.621  -0.676
   86    HA   ALA  12           HA       ALA  12 -11.094  -1.545  -1.293
   87    HB1  ALA  12           HB1      ALA  12 -12.896  -3.104  -3.135
   88    HB2  ALA  12           HB2      ALA  12 -11.276  -3.589  -2.638
   89    HB3  ALA  12           HB3      ALA  12 -11.502  -2.131  -3.608
   90    H    THR  13           HN       THR  13 -13.636  -0.861   0.097
   91    HA   THR  13           HA       THR  13 -15.310   0.608  -1.653
   92    HB   THR  13           HB       THR  13 -16.001   1.778   0.502
   93    HG1  THR  13           HG1      THR  13 -14.987  -0.103   2.136
   94   HG21  THR  13          HG21      THR  13 -17.185  -0.154  -0.437
   95   HG22  THR  13          HG22      THR  13 -17.201  -0.169   1.325
   96   HG23  THR  13          HG23      THR  13 -16.108  -1.235   0.444
   97    HA   PRO  14           HA       PRO  14 -13.060   4.114  -2.963
   98    HB2  PRO  14           HB2      PRO  14 -15.282   5.668  -1.679
   99    HB3  PRO  14           HB1      PRO  14 -14.568   5.853  -3.292
  100    HG2  PRO  14           HG2      PRO  14 -16.905   4.617  -2.910
  101    HG3  PRO  14           HG1      PRO  14 -15.765   4.136  -4.186
  102    HD2  PRO  14           HD2      PRO  14 -16.504   2.704  -1.728
  103    HD3  PRO  14           HD1      PRO  14 -15.715   2.093  -3.190
  104    H    GLU  15           HN       GLU  15 -14.451   4.449   0.301
  105    HA   GLU  15           HA       GLU  15 -12.614   6.473   1.099
  106    HB2  GLU  15           HB2      GLU  15 -14.454   4.696   2.700
  107    HB3  GLU  15           HB1      GLU  15 -13.533   6.028   3.384
  108    HG2  GLU  15           HG2      GLU  15 -14.724   7.620   2.073
  109    HG3  GLU  15           HG1      GLU  15 -15.503   6.344   1.142
  110    H    LYS  16           HN       LYS  16 -12.796   2.985   1.786
  111    HA   LYS  16           HA       LYS  16 -10.401   2.997   3.365
  112    HB2  LYS  16           HB2      LYS  16 -12.176   1.344   3.754
  113    HB3  LYS  16           HB1      LYS  16 -11.945   0.698   2.133
  114    HG2  LYS  16           HG2      LYS  16 -10.898  -0.775   3.680
  115    HG3  LYS  16           HG1      LYS  16  -9.628   0.066   2.793
  116    HD2  LYS  16           HD2      LYS  16  -9.255   1.554   4.659
  117    HD3  LYS  16           HD1      LYS  16 -10.616   0.847   5.535
  118    HE2  LYS  16           HE2      LYS  16  -9.456  -1.302   5.603
  119    HE3  LYS  16           HE1      LYS  16  -8.103  -0.608   4.714
  120    HZ1  LYS  16           HZ1      LYS  16  -9.017   0.170   7.427
  121    HZ2  LYS  16           HZ2      LYS  16  -7.792   0.954   6.571
  122    HZ3  LYS  16           HZ3      LYS  16  -7.594  -0.655   7.041
  123    H    LEU  17           HN       LEU  17 -11.240   2.526   0.041
  124    HA   LEU  17           HA       LEU  17  -8.826   1.368  -0.862
  125    HB2  LEU  17           HB2      LEU  17 -10.991   1.384  -2.100
  126    HB3  LEU  17           HB1      LEU  17 -10.768   3.099  -2.385
  127    HG   LEU  17           HG       LEU  17  -8.773   2.625  -3.730
  128   HD11  LEU  17          HD11      LEU  17  -9.458  -0.265  -3.214
  129   HD12  LEU  17          HD12      LEU  17  -8.055   0.589  -2.578
  130   HD13  LEU  17          HD13      LEU  17  -8.211   0.323  -4.313
  131   HD21  LEU  17          HD21      LEU  17 -11.182   0.995  -4.520
  132   HD22  LEU  17          HD22      LEU  17  -9.923   1.579  -5.610
  133   HD23  LEU  17          HD23      LEU  17 -10.980   2.727  -4.786
  134    H    ALA  18           HN       ALA  18  -9.938   4.658  -0.395
  135    HA   ALA  18           HA       ALA  18  -7.751   6.002  -1.554
  136    HB1  ALA  18           HB1      ALA  18  -9.559   6.880   0.697
  137    HB2  ALA  18           HB2      ALA  18  -9.863   7.112  -1.023
  138    HB3  ALA  18           HB3      ALA  18  -8.506   7.932  -0.250
  139    H    LYS  19           HN       LYS  19  -8.427   4.950   1.755
  140    HA   LYS  19           HA       LYS  19  -6.024   5.791   2.927
  141    HB2  LYS  19           HB2      LYS  19  -7.979   5.047   4.226
  142    HB3  LYS  19           HB1      LYS  19  -7.751   3.407   3.635
  143    HG2  LYS  19           HG2      LYS  19  -6.891   3.565   5.866
  144    HG3  LYS  19           HG1      LYS  19  -5.546   3.350   4.743
  145    HD2  LYS  19           HD2      LYS  19  -5.104   5.757   4.816
  146    HD3  LYS  19           HD1      LYS  19  -6.446   5.970   5.940
  147    HE2  LYS  19           HE2      LYS  19  -5.305   4.518   7.555
  148    HE3  LYS  19           HE1      LYS  19  -3.958   4.337   6.432
  149    HZ1  LYS  19           HZ1      LYS  19  -4.858   6.876   7.678
  150    HZ2  LYS  19           HZ2      LYS  19  -3.596   6.733   6.564
  151    HZ3  LYS  19           HZ3      LYS  19  -3.467   6.006   8.082
  152    HA   4PH  20           HA       4PH  20  -4.542   1.445   1.561
  153    HB2  4PH  20           HB1      4PH  20  -6.503   1.382  -0.739
  154    HB3  4PH  20           HB2      4PH  20  -6.583   0.406   0.719
  155    HD2  4PH  20           HD2      4PH  20  -5.572   0.477  -2.626
  156    HD1  4PH  20           HD1      4PH  20  -4.493  -1.097   1.169
  157    HE2  4PH  20           HE2      4PH  20  -4.257  -1.282  -3.735
  158    HE1  4PH  20           HE1      4PH  20  -3.189  -2.858   0.071
  159    H33  4PH  20           H33      4PH  20  -2.042  -3.412  -1.876
  160   H33A  4PH  20          H33A      4PH  20  -3.470  -4.015  -2.716
  161   H33B  4PH  20          H33B      4PH  20  -2.482  -2.747  -3.449
  162    H    4PH  20           HN       4PH  20  -6.900   2.918   1.132
  163    H    GLN  21           HN       GLN  21  -5.474   3.769  -0.960
  164    HA   GLN  21           HA       GLN  21  -3.149   3.550  -2.520
  165    HB2  GLN  21           HB2      GLN  21  -4.995   5.906  -2.120
  166    HB3  GLN  21           HB1      GLN  21  -3.747   5.821  -3.357
  167    HG2  GLN  21           HG2      GLN  21  -6.082   3.941  -3.094
  168    HG3  GLN  21           HG1      GLN  21  -5.958   5.275  -4.242
  169   HE21  GLN  21          HE21      GLN  21  -4.755   2.119  -3.374
  170   HE22  GLN  21          HE22      GLN  21  -3.999   1.772  -4.884
  171    H    ALA  22           HN       ALA  22  -3.850   5.390   0.378
  172    HA   ALA  22           HA       ALA  22  -1.490   6.948   0.405
  173    HB1  ALA  22           HB1      ALA  22  -3.445   7.507   1.750
  174    HB2  ALA  22           HB2      ALA  22  -2.016   7.320   2.765
  175    HB3  ALA  22           HB3      ALA  22  -3.224   6.036   2.695
  176    H    ASP  23           HN       ASP  23  -2.322   3.759   1.602
  177    HA   ASP  23           HA       ASP  23   0.126   3.250   2.960
  178    HB2  ASP  23           HB2      ASP  23  -2.060   1.956   3.225
  179    HB3  ASP  23           HB1      ASP  23  -1.653   1.154   1.711
  180    H    LEU  24           HN       LEU  24  -1.027   2.627  -0.326
  181    HA   LEU  24           HA       LEU  24   1.244   1.346  -1.334
  182    HB2  LEU  24           HB2      LEU  24  -0.906   3.001  -2.564
  183    HB3  LEU  24           HB1      LEU  24   0.530   2.676  -3.516
  184    HG   LEU  24           HG       LEU  24  -1.380   1.117  -3.927
  185   HD11  LEU  24          HD11      LEU  24   0.882   0.496  -4.526
  186   HD12  LEU  24          HD12      LEU  24   0.008  -0.910  -3.913
  187   HD13  LEU  24          HD13      LEU  24   1.183  -0.087  -2.888
  188   HD21  LEU  24          HD21      LEU  24  -0.712   0.178  -1.146
  189   HD22  LEU  24          HD22      LEU  24  -1.764  -0.663  -2.283
  190   HD23  LEU  24          HD23      LEU  24  -2.220   0.925  -1.666
  191    H    ALA  25           HN       ALA  25   0.532   4.778  -0.936
  192    HA   ALA  25           HA       ALA  25   2.811   5.791  -2.204
  193    HB1  ALA  25           HB1      ALA  25   2.428   7.816  -0.899
  194    HB2  ALA  25           HB2      ALA  25   1.320   6.935   0.152
  195    HB3  ALA  25           HB3      ALA  25   0.915   7.183  -1.546
  196    H    LYS  26           HN       LYS  26   2.299   4.598   1.071
  197    HA   LYS  26           HA       LYS  26   4.847   5.303   2.086
  198    HB2  LYS  26           HB2      LYS  26   2.933   3.122   2.939
  199    HB3  LYS  26           HB1      LYS  26   4.347   3.623   3.851
  200    HG2  LYS  26           HG2      LYS  26   3.384   5.865   4.092
  201    HG3  LYS  26           HG1      LYS  26   1.959   5.335   3.198
  202    HD2  LYS  26           HD2      LYS  26   1.532   3.634   4.921
  203    HD3  LYS  26           HD1      LYS  26   2.936   4.208   5.821
  204    HE2  LYS  26           HE2      LYS  26   1.876   6.423   6.001
  205    HE3  LYS  26           HE1      LYS  26   0.458   5.795   5.168
  206    HZ1  LYS  26           HZ1      LYS  26   1.504   4.910   7.800
  207    HZ2  LYS  26           HZ2      LYS  26   0.223   4.169   6.984
  208    HZ3  LYS  26           HZ3      LYS  26   0.074   5.767   7.515
  209    HA   4PH  27           HA       4PH  27   5.902   0.874   0.748
  210    HB2  4PH  27           HB1      4PH  27   3.536   0.699  -1.126
  211    HB3  4PH  27           HB2      4PH  27   3.811  -0.236   0.333
  212    HD2  4PH  27           HD2      4PH  27   3.754  -0.464  -3.065
  213    HD1  4PH  27           HD1      4PH  27   6.238  -1.508   0.228
  214    HE2  4PH  27           HE2      4PH  27   4.791  -2.241  -4.411
  215    HE1  4PH  27           HE1      4PH  27   7.276  -3.290  -1.112
  216    H33  4PH  27           H33      4PH  27   7.550  -3.463  -4.119
  217   H33A  4PH  27          H33A      4PH  27   6.999  -4.677  -2.962
  218   H33B  4PH  27          H33B      4PH  27   5.978  -4.225  -4.333
  219    H    4PH  27           HN       4PH  27   3.569   2.475   0.452
  220    H    GLN  28           HN       GLN  28   4.612   2.817  -1.933
  221    HA   GLN  28           HA       GLN  28   6.647   2.196  -3.770
  222    HB2  GLN  28           HB2      GLN  28   4.846   4.620  -3.604
  223    HB3  GLN  28           HB1      GLN  28   5.878   4.248  -4.978
  224    HG2  GLN  28           HG2      GLN  28   4.632   2.243  -5.443
  225    HG3  GLN  28           HG1      GLN  28   3.689   2.433  -3.967
  226   HE21  GLN  28          HE21      GLN  28   2.776   2.254  -6.722
  227   HE22  GLN  28          HE22      GLN  28   1.879   3.695  -7.029
  228    H    LYS  29           HN       LYS  29   6.320   4.793  -1.418
  229    HA   LYS  29           HA       LYS  29   8.555   6.301  -2.260
  230    HB2  LYS  29           HB2      LYS  29   6.742   7.216  -0.875
  231    HB3  LYS  29           HB1      LYS  29   7.222   6.171   0.452
  232    HG2  LYS  29           HG2      LYS  29   9.350   7.328   0.620
  233    HG3  LYS  29           HG1      LYS  29   8.913   8.350  -0.746
  234    HD2  LYS  29           HD2      LYS  29   7.453   8.218   1.890
  235    HD3  LYS  29           HD1      LYS  29   8.565   9.495   1.397
  236    HE2  LYS  29           HE2      LYS  29   5.975   8.784   0.017
  237    HE3  LYS  29           HE1      LYS  29   6.216  10.147   1.103
  238    HZ1  LYS  29           HZ1      LYS  29   7.571   9.743  -1.508
  239    HZ2  LYS  29           HZ2      LYS  29   7.855  11.030  -0.453
  240    HZ3  LYS  29           HZ3      LYS  29   6.341  10.856  -1.181
  241    H    ASP  30           HN       ASP  30   8.159   3.719   0.116
  242    HA   ASP  30           HA       ASP  30  10.876   3.988   1.052
  243    HB2  ASP  30           HB2      ASP  30   8.991   3.237   2.533
  244    HB3  ASP  30           HB1      ASP  30   8.943   1.731   1.622
  245    H    LEU  31           HN       LEU  31   9.113   1.887  -1.146
  246    HA   LEU  31           HA       LEU  31  11.086  -0.074  -1.524
  247    HB2  LEU  31           HB2      LEU  31   8.581   0.080  -2.293
  248    HB3  LEU  31           HB1      LEU  31   9.258   0.821  -3.725
  249    HG   LEU  31           HG       LEU  31   8.761  -1.599  -3.972
  250   HD11  LEU  31          HD11      LEU  31  10.890  -2.218  -5.013
  251   HD12  LEU  31          HD12      LEU  31  11.660  -0.837  -4.231
  252   HD13  LEU  31          HD13      LEU  31  10.392  -0.578  -5.431
  253   HD21  LEU  31          HD21      LEU  31  10.111  -3.244  -2.874
  254   HD22  LEU  31          HD22      LEU  31   9.358  -2.217  -1.652
  255   HD23  LEU  31          HD23      LEU  31  11.059  -1.995  -2.070
  256    H    ALA  32           HN       ALA  32  10.506   3.014  -3.121
  257    HA   ALA  32           HA       ALA  32  12.454   2.786  -5.130
  258    HB1  ALA  32           HB1      ALA  32  10.658   4.439  -5.182
  259    HB2  ALA  32           HB2      ALA  32  12.238   5.208  -5.348
  260    HB3  ALA  32           HB3      ALA  32  11.384   5.270  -3.806
  261    H    ASP  33           HN       ASP  33  12.638   3.755  -1.794
  262    HA   ASP  33           HA       ASP  33  15.342   4.762  -2.039
  263    HB2  ASP  33           HB2      ASP  33  13.839   5.893  -0.504
  264    HB3  ASP  33           HB1      ASP  33  13.543   4.392   0.365
  265    HA   4PH  34           HA       4PH  34  16.000   0.727   0.282
  266    HB2  4PH  34           HB1      4PH  34  13.485  -0.630  -0.689
  267    HB3  4PH  34           HB2      4PH  34  13.648   0.176   0.864
  268    HD2  4PH  34           HD2      4PH  34  15.522  -0.679   2.414
  269    HD1  4PH  34           HD1      4PH  34  13.950  -2.895  -0.860
  270    HE2  4PH  34           HE2      4PH  34  16.327  -2.760   3.443
  271    HE1  4PH  34           HE1      4PH  34  14.753  -4.979   0.163
  272    H33  4PH  34           H33      4PH  34  15.380  -5.983   2.162
  273   H33A  4PH  34          H33A      4PH  34  17.038  -5.383   2.117
  274   H33B  4PH  34          H33B      4PH  34  16.015  -5.064   3.522
  275    H    4PH  34           HN       4PH  34  13.741   1.840  -1.090
  276    HN1  NH2  35           HN1      NH2  35  17.691  -0.101  -0.682
  277    HN2  NH2  35           HN2      NH2  35  17.731  -0.842  -2.242
  Start of MODEL    5
    1    H1   ACE   0           HA1      ACE   0  14.704  -2.632   6.344
    2    H2   ACE   0           HA2      ACE   0  13.609  -2.488   4.970
    3    H3   ACE   0           HA3      ACE   0  14.979  -3.592   4.858
    4    HA   PRO   1           HA       PRO   1  13.030  -4.617   3.309
    5    HB2  PRO   1           HB2      PRO   1  11.462  -6.901   3.098
    6    HB3  PRO   1           HB1      PRO   1  13.201  -6.832   2.748
    7    HG2  PRO   1           HG2      PRO   1  11.807  -7.777   5.198
    8    HG3  PRO   1           HG1      PRO   1  13.249  -8.428   4.385
    9    HD2  PRO   1           HD2      PRO   1  13.450  -6.951   6.618
   10    HD3  PRO   1           HD1      PRO   1  14.658  -6.842   5.319
   11    HA   PRO   2           HA       PRO   2   9.183  -2.470   4.219
   12    HB2  PRO   2           HB2      PRO   2   8.945  -2.813   1.257
   13    HB3  PRO   2           HB1      PRO   2   8.746  -1.344   2.234
   14    HG2  PRO   2           HG2      PRO   2  10.924  -1.749   0.782
   15    HG3  PRO   2           HG1      PRO   2  10.989  -0.953   2.366
   16    HD2  PRO   2           HD2      PRO   2  11.872  -3.675   1.594
   17    HD3  PRO   2           HD1      PRO   2  12.471  -2.613   2.884
   18    H    THR   3           HN       THR   3   7.069  -3.098   4.485
   19    HA   THR   3           HA       THR   3   6.400  -5.826   3.691
   20    HB   THR   3           HB       THR   3   4.343  -5.357   5.155
   21    HG1  THR   3           HG1      THR   3   5.646  -3.465   6.614
   22   HG21  THR   3          HG21      THR   3   5.579  -5.774   7.224
   23   HG22  THR   3          HG22      THR   3   7.079  -5.286   6.437
   24   HG23  THR   3          HG23      THR   3   6.229  -6.732   5.895
   25    H    LYS   4           HN       LYS   4   5.349  -6.125   1.839
   26    HA   LYS   4           HA       LYS   4   4.031  -3.919   0.544
   27    HB2  LYS   4           HB2      LYS   4   3.814  -5.311  -1.366
   28    HB3  LYS   4           HB1      LYS   4   5.388  -5.677  -0.675
   29    HG2  LYS   4           HG2      LYS   4   4.508  -7.703   0.316
   30    HG3  LYS   4           HG1      LYS   4   2.897  -7.324  -0.310
   31    HD2  LYS   4           HD2      LYS   4   3.836  -7.374  -2.604
   32    HD3  LYS   4           HD1      LYS   4   5.383  -7.882  -1.928
   33    HE2  LYS   4           HE2      LYS   4   4.362  -9.899  -1.050
   34    HE3  LYS   4           HE1      LYS   4   2.783  -9.377  -1.636
   35    HZ1  LYS   4           HZ1      LYS   4   5.143  -9.991  -3.330
   36    HZ2  LYS   4           HZ2      LYS   4   3.639  -9.471  -3.898
   37    HZ3  LYS   4           HZ3      LYS   4   3.778 -10.974  -3.135
   38    HA   PRO   5           HA       PRO   5  -0.041  -4.935   1.953
   39    HB2  PRO   5           HB2      PRO   5  -1.413  -3.222   0.414
   40    HB3  PRO   5           HB1      PRO   5  -0.336  -2.648   1.695
   41    HG2  PRO   5           HG2      PRO   5   0.085  -2.700  -1.237
   42    HG3  PRO   5           HG1      PRO   5   0.598  -1.503  -0.036
   43    HD2  PRO   5           HD2      PRO   5   2.198  -3.502  -1.121
   44    HD3  PRO   5           HD1      PRO   5   2.547  -2.584   0.358
   45    H    THR   6           HN       THR   6  -2.125  -5.695   1.176
   46    HA   THR   6           HA       THR   6  -1.931  -7.139  -1.375
   47    HB   THR   6           HB       THR   6  -2.113  -8.671   0.486
   48    HG1  THR   6           HG1      THR   6  -3.249  -9.404  -1.270
   49   HG21  THR   6          HG21      THR   6  -3.120  -7.225   2.149
   50   HG22  THR   6          HG22      THR   6  -4.092  -8.685   1.959
   51   HG23  THR   6          HG23      THR   6  -4.622  -7.170   1.228
   52    H    LYS   7           HN       LYS   7  -3.583  -7.027  -2.840
   53    HA   LYS   7           HA       LYS   7  -5.045  -4.637  -2.985
   54    HB2  LYS   7           HB2      LYS   7  -5.297  -7.224  -4.507
   55    HB3  LYS   7           HB1      LYS   7  -6.249  -5.796  -4.884
   56    HG2  LYS   7           HG2      LYS   7  -3.238  -5.919  -4.909
   57    HG3  LYS   7           HG1      LYS   7  -4.274  -6.051  -6.330
   58    HD2  LYS   7           HD2      LYS   7  -5.182  -3.805  -5.840
   59    HD3  LYS   7           HD1      LYS   7  -4.075  -3.679  -4.473
   60    HE2  LYS   7           HE2      LYS   7  -3.192  -2.497  -6.405
   61    HE3  LYS   7           HE1      LYS   7  -2.170  -3.871  -5.992
   62    HZ1  LYS   7           HZ1      LYS   7  -3.134  -5.125  -7.782
   63    HZ2  LYS   7           HZ2      LYS   7  -2.562  -3.653  -8.390
   64    HZ3  LYS   7           HZ3      LYS   7  -4.218  -3.878  -8.139
   65    HA   PRO   8           HA       PRO   8  -8.474  -5.675  -0.282
   66    HB2  PRO   8           HB2      PRO   8  -9.583  -3.177  -1.415
   67    HB3  PRO   8           HB1      PRO   8  -9.252  -3.598   0.277
   68    HG2  PRO   8           HG2      PRO   8  -7.770  -1.821  -1.052
   69    HG3  PRO   8           HG1      PRO   8  -7.068  -2.907   0.165
   70    HD2  PRO   8           HD2      PRO   8  -6.940  -3.079  -2.816
   71    HD3  PRO   8           HD1      PRO   8  -5.698  -3.462  -1.600
   72    H    GLY   9           HN       GLY   9 -10.167  -6.929  -0.752
   73    HA2  GLY   9           HA2      GLY   9 -11.307  -6.793  -3.455
   74    HA3  GLY   9           HA1      GLY   9 -11.465  -8.148  -2.348
   75    H    ASP  10           HN       ASP  10 -12.674  -7.632  -0.291
   76    HA   ASP  10           HA       ASP  10 -15.189  -6.404  -1.035
   77    HB2  ASP  10           HB2      ASP  10 -16.082  -7.379   0.961
   78    HB3  ASP  10           HB1      ASP  10 -15.025  -8.579   0.230
   79    H    ASN  11           HN       ASN  11 -12.469  -5.717   1.049
   80    HA   ASN  11           HA       ASN  11 -13.816  -3.470   2.284
   81    HB2  ASN  11           HB2      ASN  11 -11.853  -3.188   3.634
   82    HB3  ASN  11           HB1      ASN  11 -12.211  -4.908   3.566
   83   HD21  ASN  11          HD21      ASN  11  -9.987  -2.411   2.712
   84   HD22  ASN  11          HD22      ASN  11  -8.723  -3.444   2.153
   85    H    ALA  12           HN       ALA  12 -12.889  -3.812  -0.663
   86    HA   ALA  12           HA       ALA  12 -11.093  -1.629  -1.112
   87    HB1  ALA  12           HB1      ALA  12 -11.199  -3.577  -2.602
   88    HB2  ALA  12           HB2      ALA  12 -11.478  -2.064  -3.468
   89    HB3  ALA  12           HB3      ALA  12 -12.836  -3.116  -3.067
   90    H    THR  13           HN       THR  13 -13.731  -1.185   0.269
   91    HA   THR  13           HA       THR  13 -15.425   0.361  -1.340
   92    HB   THR  13           HB       THR  13 -15.912   1.460   1.000
   93    HG1  THR  13           HG1      THR  13 -14.279   0.741   2.258
   94   HG21  THR  13          HG21      THR  13 -16.446  -1.460   0.450
   95   HG22  THR  13          HG22      THR  13 -17.383  -0.109  -0.185
   96   HG23  THR  13          HG23      THR  13 -17.358  -0.425   1.548
   97    HA   PRO  14           HA       PRO  14 -13.230   3.821  -2.748
   98    HB2  PRO  14           HB2      PRO  14 -15.500   5.334  -1.500
   99    HB3  PRO  14           HB1      PRO  14 -14.769   5.533  -3.104
  100    HG2  PRO  14           HG2      PRO  14 -17.056   4.220  -2.779
  101    HG3  PRO  14           HG1      PRO  14 -15.851   3.726  -3.989
  102    HD2  PRO  14           HD2      PRO  14 -16.633   2.380  -1.489
  103    HD3  PRO  14           HD1      PRO  14 -15.799   1.724  -2.908
  104    H    GLU  15           HN       GLU  15 -14.570   4.284   0.534
  105    HA   GLU  15           HA       GLU  15 -12.869   6.484   1.120
  106    HB2  GLU  15           HB2      GLU  15 -14.382   4.683   3.014
  107    HB3  GLU  15           HB1      GLU  15 -13.643   6.216   3.446
  108    HG2  GLU  15           HG2      GLU  15 -15.145   7.327   1.813
  109    HG3  GLU  15           HG1      GLU  15 -15.932   5.772   1.549
  110    H    LYS  16           HN       LYS  16 -12.720   3.040   1.963
  111    HA   LYS  16           HA       LYS  16 -10.227   3.399   3.374
  112    HB2  LYS  16           HB2      LYS  16 -11.900   1.743   4.143
  113    HB3  LYS  16           HB1      LYS  16 -11.673   0.840   2.646
  114    HG2  LYS  16           HG2      LYS  16  -9.452   0.263   3.231
  115    HG3  LYS  16           HG1      LYS  16  -9.439   1.403   4.578
  116    HD2  LYS  16           HD2      LYS  16 -11.233   0.068   5.653
  117    HD3  LYS  16           HD1      LYS  16 -11.090  -1.110   4.345
  118    HE2  LYS  16           HE2      LYS  16  -8.854  -1.640   4.965
  119    HE3  LYS  16           HE1      LYS  16  -8.784  -0.292   6.099
  120    HZ1  LYS  16           HZ1      LYS  16 -10.455  -1.387   7.450
  121    HZ2  LYS  16           HZ2      LYS  16  -9.115  -2.393   7.237
  122    HZ3  LYS  16           HZ3      LYS  16 -10.533  -2.679   6.361
  123    H    LEU  17           HN       LEU  17 -11.297   2.483   0.213
  124    HA   LEU  17           HA       LEU  17  -8.924   1.306  -0.746
  125    HB2  LEU  17           HB2      LEU  17 -11.120   1.250  -1.906
  126    HB3  LEU  17           HB1      LEU  17 -10.945   2.958  -2.258
  127    HG   LEU  17           HG       LEU  17  -8.976   2.464  -3.648
  128   HD11  LEU  17          HD11      LEU  17  -8.189   0.467  -2.518
  129   HD12  LEU  17          HD12      LEU  17  -8.475   0.128  -4.223
  130   HD13  LEU  17          HD13      LEU  17  -9.637  -0.405  -3.008
  131   HD21  LEU  17          HD21      LEU  17 -11.417   0.837  -4.325
  132   HD22  LEU  17          HD22      LEU  17 -10.182   1.369  -5.467
  133   HD23  LEU  17          HD23      LEU  17 -11.199   2.556  -4.649
  134    H    ALA  18           HN       ALA  18 -10.002   4.602  -0.375
  135    HA   ALA  18           HA       ALA  18  -7.856   5.859  -1.728
  136    HB1  ALA  18           HB1      ALA  18  -8.632   7.892  -0.614
  137    HB2  ALA  18           HB2      ALA  18  -9.675   6.920   0.428
  138    HB3  ALA  18           HB3      ALA  18  -9.974   6.983  -1.309
  139    H    LYS  19           HN       LYS  19  -8.457   5.027   1.663
  140    HA   LYS  19           HA       LYS  19  -6.047   6.080   2.691
  141    HB2  LYS  19           HB2      LYS  19  -8.005   5.414   4.092
  142    HB3  LYS  19           HB1      LYS  19  -7.628   3.728   3.758
  143    HG2  LYS  19           HG2      LYS  19  -5.397   4.078   4.786
  144    HG3  LYS  19           HG1      LYS  19  -5.908   5.702   5.241
  145    HD2  LYS  19           HD2      LYS  19  -7.739   4.750   6.566
  146    HD3  LYS  19           HD1      LYS  19  -7.216   3.125   6.113
  147    HE2  LYS  19           HE2      LYS  19  -5.020   3.593   7.164
  148    HE3  LYS  19           HE1      LYS  19  -5.644   5.151   7.699
  149    HZ1  LYS  19           HZ1      LYS  19  -5.793   3.549   9.463
  150    HZ2  LYS  19           HZ2      LYS  19  -6.673   2.482   8.491
  151    HZ3  LYS  19           HZ3      LYS  19  -7.353   3.958   8.956
  152    HA   4PH  20           HA       4PH  20  -4.550   1.597   1.716
  153    HB2  4PH  20           HB1      4PH  20  -6.496   1.449  -0.593
  154    HB3  4PH  20           HB2      4PH  20  -6.547   0.489   0.877
  155    HD2  4PH  20           HD2      4PH  20  -5.437   0.630  -2.469
  156    HD1  4PH  20           HD1      4PH  20  -4.523  -1.038   1.331
  157    HE2  4PH  20           HE2      4PH  20  -4.062  -1.090  -3.562
  158    HE1  4PH  20           HE1      4PH  20  -3.159  -2.763   0.249
  159    H33  4PH  20           H33      4PH  20  -1.921  -3.257  -1.649
  160   H33A  4PH  20          H33A      4PH  20  -3.283  -3.835  -2.603
  161   H33B  4PH  20          H33B      4PH  20  -2.260  -2.530  -3.215
  162    H    4PH  20           HN       4PH  20  -6.920   3.009   1.248
  163    H    GLN  21           HN       GLN  21  -5.492   3.707  -0.992
  164    HA   GLN  21           HA       GLN  21  -3.123   3.520  -2.454
  165    HB2  GLN  21           HB2      GLN  21  -5.144   5.740  -2.217
  166    HB3  GLN  21           HB1      GLN  21  -3.777   5.817  -3.322
  167    HG2  GLN  21           HG2      GLN  21  -5.871   3.660  -3.319
  168    HG3  GLN  21           HG1      GLN  21  -5.851   5.053  -4.402
  169   HE21  GLN  21          HE21      GLN  21  -4.313   2.033  -3.586
  170   HE22  GLN  21          HE22      GLN  21  -3.396   1.883  -5.037
  171    H    ALA  22           HN       ALA  22  -3.928   5.487   0.332
  172    HA   ALA  22           HA       ALA  22  -1.660   7.158   0.298
  173    HB1  ALA  22           HB1      ALA  22  -2.176   7.570   2.653
  174    HB2  ALA  22           HB2      ALA  22  -3.309   6.216   2.640
  175    HB3  ALA  22           HB3      ALA  22  -3.628   7.642   1.654
  176    H    ASP  23           HN       ASP  23  -2.317   4.045   1.845
  177    HA   ASP  23           HA       ASP  23   0.168   3.766   3.158
  178    HB2  ASP  23           HB2      ASP  23  -2.063   2.353   3.335
  179    HB3  ASP  23           HB1      ASP  23  -1.294   1.372   2.093
  180    H    LEU  24           HN       LEU  24  -0.950   2.858  -0.057
  181    HA   LEU  24           HA       LEU  24   1.369   1.537  -0.934
  182    HB2  LEU  24           HB2      LEU  24  -0.907   2.893  -2.303
  183    HB3  LEU  24           HB1      LEU  24   0.513   2.490  -3.249
  184    HG   LEU  24           HG       LEU  24  -1.380   0.815  -3.307
  185   HD11  LEU  24          HD11      LEU  24   1.331  -0.119  -2.366
  186   HD12  LEU  24          HD12      LEU  24   0.858   0.225  -4.030
  187   HD13  LEU  24          HD13      LEU  24   0.121  -1.125  -3.166
  188   HD21  LEU  24          HD21      LEU  24  -2.000   0.891  -0.966
  189   HD22  LEU  24          HD22      LEU  24  -0.412   0.276  -0.507
  190   HD23  LEU  24          HD23      LEU  24  -1.522  -0.745  -1.423
  191    H    ALA  25           HN       ALA  25   0.485   4.947  -0.901
  192    HA   ALA  25           HA       ALA  25   2.568   5.939  -2.481
  193    HB1  ALA  25           HB1      ALA  25   2.183   8.073  -1.375
  194    HB2  ALA  25           HB2      ALA  25   1.265   7.264  -0.104
  195    HB3  ALA  25           HB3      ALA  25   0.651   7.288  -1.757
  196    H    LYS  26           HN       LYS  26   2.431   5.232   0.978
  197    HA   LYS  26           HA       LYS  26   5.076   6.067   1.557
  198    HB2  LYS  26           HB2      LYS  26   3.089   4.315   2.966
  199    HB3  LYS  26           HB1      LYS  26   4.742   4.414   3.547
  200    HG2  LYS  26           HG2      LYS  26   3.432   5.942   4.807
  201    HG3  LYS  26           HG1      LYS  26   4.452   6.888   3.728
  202    HD2  LYS  26           HD2      LYS  26   2.602   7.265   2.237
  203    HD3  LYS  26           HD1      LYS  26   1.573   6.185   3.180
  204    HE2  LYS  26           HE2      LYS  26   2.793   8.753   4.188
  205    HE3  LYS  26           HE1      LYS  26   1.127   8.564   3.644
  206    HZ1  LYS  26           HZ1      LYS  26   0.739   7.000   5.419
  207    HZ2  LYS  26           HZ2      LYS  26   1.335   8.445   6.061
  208    HZ3  LYS  26           HZ3      LYS  26   2.352   7.103   5.920
  209    HA   4PH  27           HA       4PH  27   6.003   1.413   1.136
  210    HB2  4PH  27           HB1      4PH  27   3.483   0.886  -0.432
  211    HB3  4PH  27           HB2      4PH  27   3.945   0.220   1.127
  212    HD2  4PH  27           HD2      4PH  27   3.640  -0.491  -2.248
  213    HD1  4PH  27           HD1      4PH  27   6.267  -1.143   1.037
  214    HE2  4PH  27           HE2      4PH  27   4.585  -2.439  -3.397
  215    HE1  4PH  27           HE1      4PH  27   7.215  -3.102  -0.108
  216    H33  4PH  27           H33      4PH  27   7.341  -3.650  -3.090
  217   H33A  4PH  27          H33A      4PH  27   6.846  -4.706  -1.767
  218   H33B  4PH  27          H33B      4PH  27   5.759  -4.415  -3.131
  219    H    4PH  27           HN       4PH  27   3.652   2.921   0.766
  220    H    GLN  28           HN       GLN  28   4.564   2.812  -1.797
  221    HA   GLN  28           HA       GLN  28   6.449   1.719  -3.584
  222    HB2  GLN  28           HB2      GLN  28   4.634   4.121  -3.803
  223    HB3  GLN  28           HB1      GLN  28   5.621   3.533  -5.139
  224    HG2  GLN  28           HG2      GLN  28   4.438   1.461  -5.205
  225    HG3  GLN  28           HG1      GLN  28   3.608   1.819  -3.695
  226   HE21  GLN  28          HE21      GLN  28   3.100   4.600  -4.447
  227   HE22  GLN  28          HE22      GLN  28   1.829   4.545  -5.612
  228    H    LYS  29           HN       LYS  29   6.515   4.559  -1.582
  229    HA   LYS  29           HA       LYS  29   8.841   5.679  -2.851
  230    HB2  LYS  29           HB2      LYS  29   7.280   7.156  -1.713
  231    HB3  LYS  29           HB1      LYS  29   7.520   6.295  -0.200
  232    HG2  LYS  29           HG2      LYS  29   9.875   7.004  -0.193
  233    HG3  LYS  29           HG1      LYS  29   9.582   7.915  -1.675
  234    HD2  LYS  29           HD2      LYS  29   8.065   8.367   0.887
  235    HD3  LYS  29           HD1      LYS  29   9.519   9.262   0.447
  236    HE2  LYS  29           HE2      LYS  29   7.001   9.147  -1.208
  237    HE3  LYS  29           HE1      LYS  29   7.413  10.454  -0.101
  238    HZ1  LYS  29           HZ1      LYS  29   8.970   9.645  -2.497
  239    HZ2  LYS  29           HZ2      LYS  29   9.410  10.869  -1.421
  240    HZ3  LYS  29           HZ3      LYS  29   8.011  11.029  -2.353
  241    H    ASP  30           HN       ASP  30   8.171   3.878   0.139
  242    HA   ASP  30           HA       ASP  30  10.859   3.905   1.059
  243    HB2  ASP  30           HB2      ASP  30   8.992   3.540   2.601
  244    HB3  ASP  30           HB1      ASP  30   8.586   2.037   1.783
  245    H    LEU  31           HN       LEU  31   9.016   1.696  -0.948
  246    HA   LEU  31           HA       LEU  31  10.922  -0.388  -1.058
  247    HB2  LEU  31           HB2      LEU  31   8.429  -0.318  -1.811
  248    HB3  LEU  31           HB1      LEU  31   9.063   0.310  -3.316
  249    HG   LEU  31           HG       LEU  31   8.577  -2.132  -3.337
  250   HD11  LEU  31          HD11      LEU  31  10.143  -1.204  -4.937
  251   HD12  LEU  31          HD12      LEU  31  10.649  -2.814  -4.427
  252   HD13  LEU  31          HD13      LEU  31  11.458  -1.387  -3.776
  253   HD21  LEU  31          HD21      LEU  31   9.992  -3.665  -2.166
  254   HD22  LEU  31          HD22      LEU  31   9.280  -2.545  -1.002
  255   HD23  LEU  31          HD23      LEU  31  10.956  -2.344  -1.512
  256    H    ALA  32           HN       ALA  32  10.362   2.480  -3.044
  257    HA   ALA  32           HA       ALA  32  12.360   2.026  -4.964
  258    HB1  ALA  32           HB1      ALA  32  10.578   3.674  -5.254
  259    HB2  ALA  32           HB2      ALA  32  12.169   4.411  -5.452
  260    HB3  ALA  32           HB3      ALA  32  11.267   4.648  -3.954
  261    H    ASP  33           HN       ASP  33  12.392   3.614  -1.833
  262    HA   ASP  33           HA       ASP  33  15.076   4.495  -1.901
  263    HB2  ASP  33           HB2      ASP  33  13.600   5.463  -0.280
  264    HB3  ASP  33           HB1      ASP  33  13.210   3.888   0.396
  265    HA   4PH  34           HA       4PH  34  15.881   0.381   0.421
  266    HB2  4PH  34           HB1      4PH  34  13.402  -0.947  -0.685
  267    HB3  4PH  34           HB2      4PH  34  13.613  -0.387   0.967
  268    HD2  4PH  34           HD2      4PH  34  15.683  -1.399   2.222
  269    HD1  4PH  34           HD1      4PH  34  13.793  -3.171  -1.154
  270    HE2  4PH  34           HE2      4PH  34  16.593  -3.590   2.866
  271    HE1  4PH  34           HE1      4PH  34  14.698  -5.363  -0.516
  272    H33  4PH  34           H33      4PH  34  17.175  -5.989   1.113
  273   H33A  4PH  34          H33A      4PH  34  16.311  -5.898   2.650
  274   H33B  4PH  34          H33B      4PH  34  15.536  -6.621   1.237
  275    H    4PH  34           HN       4PH  34  13.567   1.551  -0.646
  276    HN1  NH2  35           HN1      NH2  35  14.452   0.230  -2.782
  277    HN2  NH2  35           HN2      NH2  35  15.786  -0.557  -3.553
  Start of MODEL    6
    1    H1   ACE   0           HA1      ACE   0  13.867  -2.675   4.818
    2    H2   ACE   0           HA2      ACE   0  14.396  -3.395   3.299
    3    H3   ACE   0           HA3      ACE   0  15.485  -3.428   4.683
    4    HA   PRO   1           HA       PRO   1  13.238  -4.815   2.034
    5    HB2  PRO   1           HB2      PRO   1  12.169  -7.585   2.250
    6    HB3  PRO   1           HB1      PRO   1  13.052  -6.820   0.915
    7    HG2  PRO   1           HG2      PRO   1  14.218  -8.621   2.464
    8    HG3  PRO   1           HG1      PRO   1  15.106  -7.208   1.852
    9    HD2  PRO   1           HD2      PRO   1  14.017  -7.709   4.588
   10    HD3  PRO   1           HD1      PRO   1  15.512  -6.887   4.097
   11    HA   PRO   2           HA       PRO   2   9.248  -3.963   3.964
   12    HB2  PRO   2           HB2      PRO   2   8.398  -2.195   2.051
   13    HB3  PRO   2           HB1      PRO   2   9.528  -1.745   3.348
   14    HG2  PRO   2           HG2      PRO   2  10.072  -2.372   0.501
   15    HG3  PRO   2           HG1      PRO   2  10.826  -1.167   1.563
   16    HD2  PRO   2           HD2      PRO   2  11.969  -3.577   0.929
   17    HD3  PRO   2           HD1      PRO   2  12.324  -2.672   2.414
   18    H    THR   3           HN       THR   3   7.180  -4.730   3.600
   19    HA   THR   3           HA       THR   3   6.858  -6.389   1.206
   20    HB   THR   3           HB       THR   3   4.880  -7.324   2.546
   21    HG1  THR   3           HG1      THR   3   6.083  -6.715   4.916
   22   HG21  THR   3          HG21      THR   3   6.327  -8.829   3.812
   23   HG22  THR   3          HG22      THR   3   7.682  -7.722   3.596
   24   HG23  THR   3          HG23      THR   3   6.977  -8.537   2.199
   25    H    LYS   4           HN       LYS   4   4.943  -6.347   0.002
   26    HA   LYS   4           HA       LYS   4   3.516  -3.802   0.139
   27    HB2  LYS   4           HB2      LYS   4   2.698  -4.298  -2.108
   28    HB3  LYS   4           HB1      LYS   4   4.450  -4.416  -2.046
   29    HG2  LYS   4           HG2      LYS   4   4.336  -6.810  -1.999
   30    HG3  LYS   4           HG1      LYS   4   2.574  -6.754  -1.914
   31    HD2  LYS   4           HD2      LYS   4   2.513  -5.684  -4.119
   32    HD3  LYS   4           HD1      LYS   4   4.274  -5.746  -4.193
   33    HE2  LYS   4           HE2      LYS   4   2.394  -8.099  -4.075
   34    HE3  LYS   4           HE1      LYS   4   3.328  -7.569  -5.472
   35    HZ1  LYS   4           HZ1      LYS   4   4.411  -8.638  -2.924
   36    HZ2  LYS   4           HZ2      LYS   4   5.359  -8.016  -4.179
   37    HZ3  LYS   4           HZ3      LYS   4   4.429  -9.404  -4.432
   38    HA   PRO   5           HA       PRO   5  -0.095  -5.768   1.831
   39    HB2  PRO   5           HB2      PRO   5  -1.942  -3.904   1.121
   40    HB3  PRO   5           HB1      PRO   5  -0.774  -3.640   2.428
   41    HG2  PRO   5           HG2      PRO   5  -0.699  -2.664  -0.383
   42    HG3  PRO   5           HG1      PRO   5  -0.294  -1.809   1.117
   43    HD2  PRO   5           HD2      PRO   5   1.582  -2.860  -0.528
   44    HD3  PRO   5           HD1      PRO   5   1.806  -2.733   1.232
   45    H    THR   6           HN       THR   6  -2.166  -6.663   1.157
   46    HA   THR   6           HA       THR   6  -2.095  -7.530  -1.613
   47    HB   THR   6           HB       THR   6  -2.478  -9.195   0.180
   48    HG1  THR   6           HG1      THR   6  -4.758  -9.766  -0.895
   49   HG21  THR   6          HG21      THR   6  -5.111  -7.767   0.536
   50   HG22  THR   6          HG22      THR   6  -3.795  -7.825   1.708
   51   HG23  THR   6          HG23      THR   6  -4.663  -9.301   1.286
   52    H    LYS   7           HN       LYS   7  -3.939  -7.437  -2.983
   53    HA   LYS   7           HA       LYS   7  -5.125  -4.869  -3.086
   54    HB2  LYS   7           HB2      LYS   7  -5.886  -7.360  -4.615
   55    HB3  LYS   7           HB1      LYS   7  -6.362  -5.720  -5.021
   56    HG2  LYS   7           HG2      LYS   7  -3.548  -6.786  -5.017
   57    HG3  LYS   7           HG1      LYS   7  -4.550  -6.508  -6.441
   58    HD2  LYS   7           HD2      LYS   7  -4.657  -4.106  -5.835
   59    HD3  LYS   7           HD1      LYS   7  -3.554  -4.429  -4.495
   60    HE2  LYS   7           HE2      LYS   7  -2.971  -4.830  -7.426
   61    HE3  LYS   7           HE1      LYS   7  -2.339  -3.542  -6.401
   62    HZ1  LYS   7           HZ1      LYS   7  -1.770  -6.445  -6.164
   63    HZ2  LYS   7           HZ2      LYS   7  -1.273  -5.290  -5.037
   64    HZ3  LYS   7           HZ3      LYS   7  -0.687  -5.229  -6.620
   65    HA   PRO   8           HA       PRO   8  -8.512  -5.602  -0.227
   66    HB2  PRO   8           HB2      PRO   8  -9.515  -3.147  -1.583
   67    HB3  PRO   8           HB1      PRO   8  -9.307  -3.474   0.151
   68    HG2  PRO   8           HG2      PRO   8  -7.655  -1.859  -1.143
   69    HG3  PRO   8           HG1      PRO   8  -7.063  -2.961   0.117
   70    HD2  PRO   8           HD2      PRO   8  -6.839  -3.195  -2.854
   71    HD3  PRO   8           HD1      PRO   8  -5.676  -3.651  -1.588
   72    H    GLY   9           HN       GLY   9 -10.186  -6.899  -0.565
   73    HA2  GLY   9           HA2      GLY   9 -11.389  -6.991  -3.241
   74    HA3  GLY   9           HA1      GLY   9 -11.503  -8.250  -2.022
   75    H    ASP  10           HN       ASP  10 -12.702  -7.594  -0.002
   76    HA   ASP  10           HA       ASP  10 -15.195  -6.329  -0.836
   77    HB2  ASP  10           HB2      ASP  10 -14.501  -7.847   1.689
   78    HB3  ASP  10           HB1      ASP  10 -16.097  -7.226   1.287
   79    H    ASN  11           HN       ASN  11 -12.403  -5.673   0.995
   80    HA   ASN  11           HA       ASN  11 -13.618  -3.509   2.507
   81    HB2  ASN  11           HB2      ASN  11 -11.352  -3.220   3.479
   82    HB3  ASN  11           HB1      ASN  11 -11.967  -4.855   3.677
   83   HD21  ASN  11          HD21      ASN  11  -9.211  -3.822   3.686
   84   HD22  ASN  11          HD22      ASN  11  -8.373  -4.722   2.474
   85    H    ALA  12           HN       ALA  12 -12.999  -3.724  -0.553
   86    HA   ALA  12           HA       ALA  12 -11.172  -1.552  -1.014
   87    HB1  ALA  12           HB1      ALA  12 -12.915  -3.011  -2.983
   88    HB2  ALA  12           HB2      ALA  12 -11.301  -3.522  -2.496
   89    HB3  ALA  12           HB3      ALA  12 -11.521  -1.995  -3.353
   90    H    THR  13           HN       THR  13 -13.781  -1.088   0.402
   91    HA   THR  13           HA       THR  13 -15.532   0.425  -1.160
   92    HB   THR  13           HB       THR  13 -16.034   1.620   1.032
   93    HG1  THR  13           HG1      THR  13 -13.704   0.650   1.692
   94   HG21  THR  13          HG21      THR  13 -17.121  -0.332   2.007
   95   HG22  THR  13          HG22      THR  13 -16.108  -1.398   1.034
   96   HG23  THR  13          HG23      THR  13 -17.284  -0.343   0.251
   97    HA   PRO  14           HA       PRO  14 -13.356   3.776  -2.866
   98    HB2  PRO  14           HB2      PRO  14 -15.535   5.431  -1.636
   99    HB3  PRO  14           HB1      PRO  14 -14.892   5.471  -3.289
  100    HG2  PRO  14           HG2      PRO  14 -17.194   4.258  -2.708
  101    HG3  PRO  14           HG1      PRO  14 -16.090   3.650  -3.961
  102    HD2  PRO  14           HD2      PRO  14 -16.727   2.497  -1.327
  103    HD3  PRO  14           HD1      PRO  14 -16.011   1.725  -2.752
  104    H    GLU  15           HN       GLU  15 -14.648   4.615   0.371
  105    HA   GLU  15           HA       GLU  15 -12.777   6.724   0.756
  106    HB2  GLU  15           HB2      GLU  15 -14.469   5.233   2.762
  107    HB3  GLU  15           HB1      GLU  15 -13.589   6.717   3.095
  108    HG2  GLU  15           HG2      GLU  15 -14.938   7.872   1.402
  109    HG3  GLU  15           HG1      GLU  15 -15.836   6.381   1.129
  110    H    LYS  16           HN       LYS  16 -12.846   3.352   1.652
  111    HA   LYS  16           HA       LYS  16 -10.491   3.552   3.313
  112    HB2  LYS  16           HB2      LYS  16 -12.342   1.985   3.844
  113    HB3  LYS  16           HB1      LYS  16 -12.006   1.110   2.351
  114    HG2  LYS  16           HG2      LYS  16  -9.819   0.483   3.183
  115    HG3  LYS  16           HG1      LYS  16 -10.092   1.419   4.657
  116    HD2  LYS  16           HD2      LYS  16 -12.003  -0.017   5.205
  117    HD3  LYS  16           HD1      LYS  16 -11.714  -0.955   3.739
  118    HE2  LYS  16           HE2      LYS  16 -10.793  -2.077   5.700
  119    HE3  LYS  16           HE1      LYS  16  -9.520  -1.607   4.576
  120    HZ1  LYS  16           HZ1      LYS  16  -8.964  -1.140   6.902
  121    HZ2  LYS  16           HZ2      LYS  16 -10.277  -0.078   7.007
  122    HZ3  LYS  16           HZ3      LYS  16  -8.993   0.264   5.961
  123    H    LEU  17           HN       LEU  17 -11.351   2.706   0.062
  124    HA   LEU  17           HA       LEU  17  -8.963   1.394  -0.688
  125    HB2  LEU  17           HB2      LEU  17 -11.100   1.285  -1.941
  126    HB3  LEU  17           HB1      LEU  17 -10.893   2.967  -2.390
  127    HG   LEU  17           HG       LEU  17  -8.896   2.391  -3.682
  128   HD11  LEU  17          HD11      LEU  17  -8.137   0.497  -2.343
  129   HD12  LEU  17          HD12      LEU  17  -8.300   0.049  -4.041
  130   HD13  LEU  17          HD13      LEU  17  -9.527  -0.444  -2.874
  131   HD21  LEU  17          HD21      LEU  17 -10.019   1.166  -5.454
  132   HD22  LEU  17          HD22      LEU  17 -11.109   2.352  -4.733
  133   HD23  LEU  17          HD23      LEU  17 -11.266   0.644  -4.320
  134    H    ALA  18           HN       ALA  18 -10.006   4.728  -0.622
  135    HA   ALA  18           HA       ALA  18  -7.783   5.887  -1.901
  136    HB1  ALA  18           HB1      ALA  18  -8.523   7.971  -0.861
  137    HB2  ALA  18           HB2      ALA  18  -9.605   7.060   0.194
  138    HB3  ALA  18           HB3      ALA  18  -9.883   7.081  -1.547
  139    H    LYS  19           HN       LYS  19  -8.462   5.054   1.454
  140    HA   LYS  19           HA       LYS  19  -6.060   6.135   2.522
  141    HB2  LYS  19           HB2      LYS  19  -8.135   5.600   3.841
  142    HB3  LYS  19           HB1      LYS  19  -7.732   3.896   3.675
  143    HG2  LYS  19           HG2      LYS  19  -5.619   4.287   4.847
  144    HG3  LYS  19           HG1      LYS  19  -6.046   5.987   5.037
  145    HD2  LYS  19           HD2      LYS  19  -8.025   5.341   6.331
  146    HD3  LYS  19           HD1      LYS  19  -7.585   3.642   6.150
  147    HE2  LYS  19           HE2      LYS  19  -5.912   5.748   7.514
  148    HE3  LYS  19           HE1      LYS  19  -6.917   4.557   8.335
  149    HZ1  LYS  19           HZ1      LYS  19  -4.601   3.942   6.579
  150    HZ2  LYS  19           HZ2      LYS  19  -5.555   2.804   7.384
  151    HZ3  LYS  19           HZ3      LYS  19  -4.599   3.881   8.267
  152    HA   4PH  20           HA       4PH  20  -4.661   1.588   1.763
  153    HB2  4PH  20           HB1      4PH  20  -6.599   1.407  -0.548
  154    HB3  4PH  20           HB2      4PH  20  -6.608   0.445   0.922
  155    HD2  4PH  20           HD2      4PH  20  -5.627   0.564  -2.448
  156    HD1  4PH  20           HD1      4PH  20  -4.507  -1.037   1.324
  157    HE2  4PH  20           HE2      4PH  20  -4.291  -1.158  -3.587
  158    HE1  4PH  20           HE1      4PH  20  -3.175  -2.765   0.200
  159    H33  4PH  20           H33      4PH  20  -2.495  -2.617  -3.331
  160   H33A  4PH  20          H33A      4PH  20  -2.037  -3.292  -1.767
  161   H33B  4PH  20          H33B      4PH  20  -3.468  -3.891  -2.606
  162    H    4PH  20           HN       4PH  20  -6.990   3.035   1.174
  163    H    GLN  21           HN       GLN  21  -5.477   3.703  -0.971
  164    HA   GLN  21           HA       GLN  21  -3.110   3.412  -2.425
  165    HB2  GLN  21           HB2      GLN  21  -4.962   5.782  -2.160
  166    HB3  GLN  21           HB1      GLN  21  -3.644   5.701  -3.322
  167    HG2  GLN  21           HG2      GLN  21  -5.929   3.749  -3.187
  168    HG3  GLN  21           HG1      GLN  21  -5.849   5.133  -4.279
  169   HE21  GLN  21          HE21      GLN  21  -4.581   1.978  -3.552
  170   HE22  GLN  21          HE22      GLN  21  -3.761   1.745  -5.052
  171    H    ALA  22           HN       ALA  22  -3.822   5.318   0.415
  172    HA   ALA  22           HA       ALA  22  -1.517   6.952   0.374
  173    HB1  ALA  22           HB1      ALA  22  -2.048   7.414   2.704
  174    HB2  ALA  22           HB2      ALA  22  -3.188   6.067   2.718
  175    HB3  ALA  22           HB3      ALA  22  -3.498   7.476   1.704
  176    H    ASP  23           HN       ASP  23  -2.241   3.824   1.849
  177    HA   ASP  23           HA       ASP  23   0.256   3.510   3.162
  178    HB2  ASP  23           HB2      ASP  23  -1.865   2.175   3.617
  179    HB3  ASP  23           HB1      ASP  23  -1.493   1.261   2.159
  180    H    LEU  24           HN       LEU  24  -0.896   2.786  -0.063
  181    HA   LEU  24           HA       LEU  24   1.374   1.339  -0.930
  182    HB2  LEU  24           HB2      LEU  24  -0.877   2.722  -2.303
  183    HB3  LEU  24           HB1      LEU  24   0.538   2.299  -3.251
  184    HG   LEU  24           HG       LEU  24  -1.334   0.631  -3.331
  185   HD11  LEU  24          HD11      LEU  24   1.294  -0.345  -2.215
  186   HD12  LEU  24          HD12      LEU  24   0.951   0.009  -3.909
  187   HD13  LEU  24          HD13      LEU  24   0.117  -1.318  -3.099
  188   HD21  LEU  24          HD21      LEU  24  -0.493   0.117  -0.485
  189   HD22  LEU  24          HD22      LEU  24  -1.622  -0.858  -1.428
  190   HD23  LEU  24          HD23      LEU  24  -2.033   0.805  -1.001
  191    H    ALA  25           HN       ALA  25   0.630   4.767  -0.796
  192    HA   ALA  25           HA       ALA  25   2.843   5.673  -2.299
  193    HB1  ALA  25           HB1      ALA  25   2.494   7.814  -1.173
  194    HB2  ALA  25           HB2      ALA  25   1.418   7.035  -0.014
  195    HB3  ALA  25           HB3      ALA  25   0.965   7.124  -1.714
  196    H    LYS  26           HN       LYS  26   2.408   4.901   1.113
  197    HA   LYS  26           HA       LYS  26   4.978   5.599   2.017
  198    HB2  LYS  26           HB2      LYS  26   3.128   3.420   3.014
  199    HB3  LYS  26           HB1      LYS  26   4.518   4.042   3.884
  200    HG2  LYS  26           HG2      LYS  26   3.466   6.196   4.123
  201    HG3  LYS  26           HG1      LYS  26   2.111   5.680   3.114
  202    HD2  LYS  26           HD2      LYS  26   1.601   3.914   4.775
  203    HD3  LYS  26           HD1      LYS  26   2.894   4.540   5.797
  204    HE2  LYS  26           HE2      LYS  26   0.491   6.122   4.898
  205    HE3  LYS  26           HE1      LYS  26   0.636   5.318   6.459
  206    HZ1  LYS  26           HZ1      LYS  26   2.419   7.472   5.463
  207    HZ2  LYS  26           HZ2      LYS  26   2.536   6.707   6.965
  208    HZ3  LYS  26           HZ3      LYS  26   1.189   7.662   6.607
  209    HA   4PH  27           HA       4PH  27   5.970   1.048   1.035
  210    HB2  4PH  27           HB1      4PH  27   3.518   0.735  -0.689
  211    HB3  4PH  27           HB2      4PH  27   3.932  -0.138   0.776
  212    HD2  4PH  27           HD2      4PH  27   3.740  -0.371  -2.670
  213    HD1  4PH  27           HD1      4PH  27   6.243  -1.489   0.583
  214    HE2  4PH  27           HE2      4PH  27   4.724  -2.151  -4.044
  215    HE1  4PH  27           HE1      4PH  27   7.226  -3.280  -0.786
  216    H33  4PH  27           H33      4PH  27   6.902  -4.642  -2.646
  217   H33A  4PH  27          H33A      4PH  27   5.886  -4.160  -4.008
  218   H33B  4PH  27          H33B      4PH  27   7.477  -3.424  -3.780
  219    H    4PH  27           HN       4PH  27   3.641   2.618   0.691
  220    H    GLN  28           HN       GLN  28   4.644   2.696  -1.842
  221    HA   GLN  28           HA       GLN  28   6.632   1.804  -3.603
  222    HB2  GLN  28           HB2      GLN  28   4.832   4.223  -3.706
  223    HB3  GLN  28           HB1      GLN  28   5.938   3.802  -5.007
  224    HG2  GLN  28           HG2      GLN  28   4.795   1.622  -5.238
  225    HG3  GLN  28           HG1      GLN  28   3.656   2.114  -3.984
  226   HE21  GLN  28          HE21      GLN  28   1.907   1.954  -5.397
  227   HE22  GLN  28          HE22      GLN  28   1.627   3.109  -6.647
  228    H    LYS  29           HN       LYS  29   6.504   4.664  -1.540
  229    HA   LYS  29           HA       LYS  29   8.830   5.856  -2.663
  230    HB2  LYS  29           HB2      LYS  29   7.104   7.143  -1.443
  231    HB3  LYS  29           HB1      LYS  29   7.574   6.337   0.044
  232    HG2  LYS  29           HG2      LYS  29   8.516   8.596  -0.153
  233    HG3  LYS  29           HG1      LYS  29   9.758   7.349  -0.037
  234    HD2  LYS  29           HD2      LYS  29  10.359   8.998  -1.720
  235    HD3  LYS  29           HD1      LYS  29  10.060   7.435  -2.474
  236    HE2  LYS  29           HE2      LYS  29   9.061   9.184  -3.803
  237    HE3  LYS  29           HE1      LYS  29   7.792   8.200  -3.080
  238    HZ1  LYS  29           HZ1      LYS  29   7.344  10.593  -2.957
  239    HZ2  LYS  29           HZ2      LYS  29   8.725  10.804  -2.006
  240    HZ3  LYS  29           HZ3      LYS  29   7.429   9.882  -1.426
  241    H    ASP  30           HN       ASP  30   8.251   3.831   0.195
  242    HA   ASP  30           HA       ASP  30  10.962   3.947   1.090
  243    HB2  ASP  30           HB2      ASP  30   9.050   3.378   2.594
  244    HB3  ASP  30           HB1      ASP  30   8.878   1.844   1.745
  245    H    LEU  31           HN       LEU  31   9.163   1.873  -1.063
  246    HA   LEU  31           HA       LEU  31  11.160  -0.114  -1.413
  247    HB2  LEU  31           HB2      LEU  31   8.610  -0.047  -2.080
  248    HB3  LEU  31           HB1      LEU  31   9.215   0.663  -3.559
  249    HG   LEU  31           HG       LEU  31   8.784  -1.747  -3.765
  250   HD11  LEU  31          HD11      LEU  31  10.912  -2.386  -4.772
  251   HD12  LEU  31          HD12      LEU  31  11.694  -1.016  -3.986
  252   HD13  LEU  31          HD13      LEU  31  10.452  -0.740  -5.207
  253   HD21  LEU  31          HD21      LEU  31  10.146  -3.363  -2.616
  254   HD22  LEU  31          HD22      LEU  31   9.320  -2.337  -1.440
  255   HD23  LEU  31          HD23      LEU  31  11.030  -2.080  -1.791
  256    H    ALA  32           HN       ALA  32  10.355   2.897  -3.062
  257    HA   ALA  32           HA       ALA  32  12.195   2.769  -5.150
  258    HB1  ALA  32           HB1      ALA  32  10.348   4.377  -5.027
  259    HB2  ALA  32           HB2      ALA  32  11.894   5.166  -5.344
  260    HB3  ALA  32           HB3      ALA  32  11.187   5.224  -3.728
  261    H    ASP  33           HN       ASP  33  12.530   4.013  -1.868
  262    HA   ASP  33           HA       ASP  33  15.200   4.929  -2.193
  263    HB2  ASP  33           HB2      ASP  33  13.880   5.812  -0.379
  264    HB3  ASP  33           HB1      ASP  33  13.638   4.201   0.290
  265    HA   4PH  34           HA       4PH  34  16.162   0.616  -0.394
  266    HB2  4PH  34           HB1      4PH  34  13.665  -0.637  -1.557
  267    HB3  4PH  34           HB2      4PH  34  13.899  -0.239   0.139
  268    HD2  4PH  34           HD2      4PH  34  14.141  -2.781  -2.279
  269    HD1  4PH  34           HD1      4PH  34  15.977  -1.329   1.273
  270    HE2  4PH  34           HE2      4PH  34  15.117  -5.001  -1.884
  271    HE1  4PH  34           HE1      4PH  34  16.954  -3.547   1.681
  272    H33  4PH  34           H33      4PH  34  17.616  -5.718  -0.332
  273   H33A  4PH  34          H33A      4PH  34  16.764  -5.822   1.210
  274   H33B  4PH  34          H33B      4PH  34  16.003  -6.417  -0.273
  275    H    4PH  34           HN       4PH  34  13.786   1.863  -1.296
  276    HN1  NH2  35           HN1      NH2  35  17.875   0.184  -1.578
  277    HN2  NH2  35           HN2      NH2  35  17.889  -0.235  -3.254
  Start of MODEL    7
    1    H1   ACE   0           HA1      ACE   0  11.511  -0.297   4.933
    2    H2   ACE   0           HA2      ACE   0  12.034   0.189   6.544
    3    H3   ACE   0           HA3      ACE   0  10.716  -0.970   6.388
    4    HA   PRO   1           HA       PRO   1  11.974  -3.960   4.379
    5    HB2  PRO   1           HB2      PRO   1  10.216  -5.257   6.348
    6    HB3  PRO   1           HB1      PRO   1  11.498  -5.962   5.346
    7    HG2  PRO   1           HG2      PRO   1  11.765  -5.685   7.991
    8    HG3  PRO   1           HG1      PRO   1  13.139  -5.522   6.875
    9    HD2  PRO   1           HD2      PRO   1  11.540  -3.382   8.226
   10    HD3  PRO   1           HD1      PRO   1  13.295  -3.480   7.965
   11    HA   PRO   2           HA       PRO   2   8.242  -1.392   3.964
   12    HB2  PRO   2           HB2      PRO   2   8.590  -1.920   1.108
   13    HB3  PRO   2           HB1      PRO   2   8.661  -0.370   1.968
   14    HG2  PRO   2           HG2      PRO   2  10.818  -1.545   0.850
   15    HG3  PRO   2           HG1      PRO   2  10.900  -0.471   2.261
   16    HD2  PRO   2           HD2      PRO   2  11.055  -3.452   2.146
   17    HD3  PRO   2           HD1      PRO   2  11.917  -2.309   3.197
   18    H    THR   3           HN       THR   3   6.457  -2.502   4.441
   19    HA   THR   3           HA       THR   3   5.991  -5.159   3.518
   20    HB   THR   3           HB       THR   3   3.744  -4.777   4.690
   21    HG1  THR   3           HG1      THR   3   3.696  -2.927   6.035
   22   HG21  THR   3          HG21      THR   3   4.743  -4.951   6.917
   23   HG22  THR   3          HG22      THR   3   6.287  -4.395   6.274
   24   HG23  THR   3          HG23      THR   3   5.620  -5.941   5.752
   25    H    LYS   4           HN       LYS   4   5.047  -5.724   1.663
   26    HA   LYS   4           HA       LYS   4   3.873  -3.752  -0.041
   27    HB2  LYS   4           HB2      LYS   4   3.604  -5.477  -1.660
   28    HB3  LYS   4           HB1      LYS   4   5.126  -5.810  -0.844
   29    HG2  LYS   4           HG2      LYS   4   4.091  -7.537   0.472
   30    HG3  LYS   4           HG1      LYS   4   2.510  -7.156  -0.219
   31    HD2  LYS   4           HD2      LYS   4   3.416  -7.728  -2.460
   32    HD3  LYS   4           HD1      LYS   4   4.917  -8.233  -1.683
   33    HE2  LYS   4           HE2      LYS   4   3.740  -9.943  -0.442
   34    HE3  LYS   4           HE1      LYS   4   2.198  -9.399  -1.099
   35    HZ1  LYS   4           HZ1      LYS   4   2.921 -11.308  -2.307
   36    HZ2  LYS   4           HZ2      LYS   4   4.439 -10.628  -2.605
   37    HZ3  LYS   4           HZ3      LYS   4   3.062  -9.969  -3.327
   38    HA   PRO   5           HA       PRO   5  -0.264  -4.199   1.491
   39    HB2  PRO   5           HB2      PRO   5  -1.479  -2.594  -0.307
   40    HB3  PRO   5           HB1      PRO   5  -0.431  -1.950   0.965
   41    HG2  PRO   5           HG2      PRO   5   0.107  -2.308  -1.920
   42    HG3  PRO   5           HG1      PRO   5   0.680  -1.059  -0.800
   43    HD2  PRO   5           HD2      PRO   5   2.137  -3.274  -1.651
   44    HD3  PRO   5           HD1      PRO   5   2.521  -2.252  -0.253
   45    H    THR   6           HN       THR   6  -2.231  -5.217   0.920
   46    HA   THR   6           HA       THR   6  -2.004  -6.886  -1.491
   47    HB   THR   6           HB       THR   6  -2.049  -8.068   0.731
   48    HG1  THR   6           HG1      THR   6  -4.256  -9.178  -0.269
   49   HG21  THR   6          HG21      THR   6  -4.930  -7.171   0.750
   50   HG22  THR   6          HG22      THR   6  -3.678  -6.619   1.860
   51   HG23  THR   6          HG23      THR   6  -4.189  -8.305   1.878
   52    H    LYS   7           HN       LYS   7  -3.772  -7.186  -2.828
   53    HA   LYS   7           HA       LYS   7  -5.350  -4.925  -3.307
   54    HB2  LYS   7           HB2      LYS   7  -5.567  -7.761  -4.295
   55    HB3  LYS   7           HB1      LYS   7  -6.631  -6.478  -4.854
   56    HG2  LYS   7           HG2      LYS   7  -3.629  -6.470  -5.103
   57    HG3  LYS   7           HG1      LYS   7  -4.762  -6.897  -6.389
   58    HD2  LYS   7           HD2      LYS   7  -5.757  -4.633  -6.204
   59    HD3  LYS   7           HD1      LYS   7  -4.532  -4.226  -5.002
   60    HE2  LYS   7           HE2      LYS   7  -2.774  -4.598  -6.634
   61    HE3  LYS   7           HE1      LYS   7  -3.970  -5.070  -7.838
   62    HZ1  LYS   7           HZ1      LYS   7  -3.740  -2.394  -6.576
   63    HZ2  LYS   7           HZ2      LYS   7  -4.914  -2.841  -7.706
   64    HZ3  LYS   7           HZ3      LYS   7  -3.283  -2.790  -8.154
   65    HA   PRO   8           HA       PRO   8  -8.627  -5.666  -0.316
   66    HB2  PRO   8           HB2      PRO   8  -9.756  -3.240  -1.563
   67    HB3  PRO   8           HB1      PRO   8  -9.304  -3.526   0.129
   68    HG2  PRO   8           HG2      PRO   8  -7.905  -1.887  -1.444
   69    HG3  PRO   8           HG1      PRO   8  -7.126  -2.886  -0.201
   70    HD2  PRO   8           HD2      PRO   8  -7.271  -3.331  -3.163
   71    HD3  PRO   8           HD1      PRO   8  -5.905  -3.572  -2.044
   72    H    GLY   9           HN       GLY   9 -10.390  -6.872  -0.614
   73    HA2  GLY   9           HA2      GLY   9 -11.518  -7.020  -3.325
   74    HA3  GLY   9           HA1      GLY   9 -11.691  -8.248  -2.080
   75    H    ASP  10           HN       ASP  10 -12.909  -7.539  -0.116
   76    HA   ASP  10           HA       ASP  10 -15.346  -6.178  -0.960
   77    HB2  ASP  10           HB2      ASP  10 -14.762  -7.485   1.704
   78    HB3  ASP  10           HB1      ASP  10 -16.338  -7.053   1.053
   79    H    ASN  11           HN       ASN  11 -12.574  -5.771   1.051
   80    HA   ASN  11           HA       ASN  11 -13.584  -3.471   2.463
   81    HB2  ASN  11           HB2      ASN  11 -11.284  -3.307   3.374
   82    HB3  ASN  11           HB1      ASN  11 -11.983  -4.904   3.600
   83   HD21  ASN  11          HD21      ASN  11  -9.175  -3.962   3.480
   84   HD22  ASN  11          HD22      ASN  11  -8.423  -4.939   2.275
   85    H    ALA  12           HN       ALA  12 -13.020  -3.770  -0.605
   86    HA   ALA  12           HA       ALA  12 -11.192  -1.630  -1.150
   87    HB1  ALA  12           HB1      ALA  12 -13.099  -3.017  -3.020
   88    HB2  ALA  12           HB2      ALA  12 -11.464  -3.563  -2.658
   89    HB3  ALA  12           HB3      ALA  12 -11.719  -2.017  -3.472
   90    H    THR  13           HN       THR  13 -13.648  -1.111   0.460
   91    HA   THR  13           HA       THR  13 -15.448   0.485  -1.011
   92    HB   THR  13           HB       THR  13 -15.954   1.512   1.252
   93    HG1  THR  13           HG1      THR  13 -14.849  -0.308   2.802
   94   HG21  THR  13          HG21      THR  13 -16.019  -1.502   1.068
   95   HG22  THR  13          HG22      THR  13 -17.193  -0.405   0.346
   96   HG23  THR  13          HG23      THR  13 -17.040  -0.499   2.099
   97    HA   PRO  14           HA       PRO  14 -13.062   3.919  -2.343
   98    HB2  PRO  14           HB2      PRO  14 -15.417   5.471  -1.333
   99    HB3  PRO  14           HB1      PRO  14 -14.585   5.581  -2.896
  100    HG2  PRO  14           HG2      PRO  14 -16.911   4.327  -2.652
  101    HG3  PRO  14           HG1      PRO  14 -15.647   3.752  -3.761
  102    HD2  PRO  14           HD2      PRO  14 -16.581   2.571  -1.217
  103    HD3  PRO  14           HD1      PRO  14 -15.761   1.803  -2.585
  104    H    GLU  15           HN       GLU  15 -14.702   4.206   0.774
  105    HA   GLU  15           HA       GLU  15 -13.308   6.434   1.740
  106    HB2  GLU  15           HB2      GLU  15 -14.650   4.167   3.207
  107    HB3  GLU  15           HB1      GLU  15 -14.088   5.645   3.976
  108    HG2  GLU  15           HG2      GLU  15 -15.660   6.957   2.796
  109    HG3  GLU  15           HG1      GLU  15 -16.064   5.621   1.723
  110    H    LYS  16           HN       LYS  16 -12.694   2.960   2.270
  111    HA   LYS  16           HA       LYS  16 -10.236   3.626   3.678
  112    HB2  LYS  16           HB2      LYS  16 -11.818   1.836   4.503
  113    HB3  LYS  16           HB1      LYS  16 -11.335   0.868   3.108
  114    HG2  LYS  16           HG2      LYS  16  -9.019   0.909   3.887
  115    HG3  LYS  16           HG1      LYS  16  -9.503   1.878   5.278
  116    HD2  LYS  16           HD2      LYS  16 -11.039   0.018   5.933
  117    HD3  LYS  16           HD1      LYS  16 -10.326  -0.951   4.641
  118    HE2  LYS  16           HE2      LYS  16  -8.862   0.243   6.993
  119    HE3  LYS  16           HE1      LYS  16  -9.284  -1.454   6.786
  120    HZ1  LYS  16           HZ1      LYS  16  -7.841  -1.570   4.876
  121    HZ2  LYS  16           HZ2      LYS  16  -6.972  -0.982   6.204
  122    HZ3  LYS  16           HZ3      LYS  16  -7.484   0.079   4.994
  123    H    LEU  17           HN       LEU  17 -11.286   2.743   0.558
  124    HA   LEU  17           HA       LEU  17  -8.938   1.486  -0.399
  125    HB2  LEU  17           HB2      LEU  17 -11.153   1.435  -1.530
  126    HB3  LEU  17           HB1      LEU  17 -10.947   3.130  -1.929
  127    HG   LEU  17           HG       LEU  17  -9.028   2.581  -3.342
  128   HD11  LEU  17          HD11      LEU  17  -8.222   0.631  -2.118
  129   HD12  LEU  17          HD12      LEU  17  -8.483   0.251  -3.819
  130   HD13  LEU  17          HD13      LEU  17  -9.651  -0.273  -2.608
  131   HD21  LEU  17          HD21      LEU  17 -10.261   1.377  -5.081
  132   HD22  LEU  17          HD22      LEU  17 -11.255   2.615  -4.313
  133   HD23  LEU  17          HD23      LEU  17 -11.475   0.917  -3.890
  134    H    ALA  18           HN       ALA  18  -9.913   4.787   0.062
  135    HA   ALA  18           HA       ALA  18  -7.873   6.087  -1.354
  136    HB1  ALA  18           HB1      ALA  18  -9.842   7.245  -0.516
  137    HB2  ALA  18           HB2      ALA  18  -8.370   8.003   0.090
  138    HB3  ALA  18           HB3      ALA  18  -9.322   6.954   1.142
  139    H    LYS  19           HN       LYS  19  -8.067   4.962   2.003
  140    HA   LYS  19           HA       LYS  19  -5.498   5.725   2.815
  141    HB2  LYS  19           HB2      LYS  19  -7.126   5.016   4.450
  142    HB3  LYS  19           HB1      LYS  19  -7.241   3.424   3.718
  143    HG2  LYS  19           HG2      LYS  19  -5.942   3.300   5.740
  144    HG3  LYS  19           HG1      LYS  19  -4.910   2.979   4.346
  145    HD2  LYS  19           HD2      LYS  19  -3.715   4.406   5.860
  146    HD3  LYS  19           HD1      LYS  19  -4.156   5.354   4.439
  147    HE2  LYS  19           HE2      LYS  19  -6.047   6.307   5.661
  148    HE3  LYS  19           HE1      LYS  19  -5.625   5.340   7.074
  149    HZ1  LYS  19           HZ1      LYS  19  -4.790   7.555   7.337
  150    HZ2  LYS  19           HZ2      LYS  19  -3.983   7.487   5.853
  151    HZ3  LYS  19           HZ3      LYS  19  -3.478   6.508   7.133
  152    HA   4PH  20           HA       4PH  20  -4.288   1.386   1.194
  153    HB2  4PH  20           HB1      4PH  20  -6.525   1.363  -0.843
  154    HB3  4PH  20           HB2      4PH  20  -6.425   0.360   0.600
  155    HD2  4PH  20           HD2      4PH  20  -5.619   0.627  -2.846
  156    HD1  4PH  20           HD1      4PH  20  -4.457  -1.246   0.783
  157    HE2  4PH  20           HE2      4PH  20  -4.386  -1.071  -4.126
  158    HE1  4PH  20           HE1      4PH  20  -3.239  -2.956  -0.485
  159    H33  4PH  20           H33      4PH  20  -2.633  -2.603  -4.008
  160   H33A  4PH  20          H33A      4PH  20  -2.158  -3.381  -2.499
  161   H33B  4PH  20          H33B      4PH  20  -3.626  -3.888  -3.337
  162    H    4PH  20           HN       4PH  20  -6.682   2.826   1.196
  163    H    GLN  21           HN       GLN  21  -5.579   3.717  -1.171
  164    HA   GLN  21           HA       GLN  21  -3.452   3.606  -2.995
  165    HB2  GLN  21           HB2      GLN  21  -5.287   5.899  -2.279
  166    HB3  GLN  21           HB1      GLN  21  -4.172   5.922  -3.639
  167    HG2  GLN  21           HG2      GLN  21  -6.378   3.912  -3.271
  168    HG3  GLN  21           HG1      GLN  21  -6.494   5.365  -4.265
  169   HE21  GLN  21          HE21      GLN  21  -4.985   2.234  -3.934
  170   HE22  GLN  21          HE22      GLN  21  -4.444   2.108  -5.566
  171    H    ALA  22           HN       ALA  22  -3.863   5.428  -0.016
  172    HA   ALA  22           HA       ALA  22  -1.518   6.992  -0.232
  173    HB1  ALA  22           HB1      ALA  22  -2.989   6.090   2.239
  174    HB2  ALA  22           HB2      ALA  22  -3.340   7.543   1.304
  175    HB3  ALA  22           HB3      ALA  22  -1.802   7.392   2.157
  176    H    ASP  23           HN       ASP  23  -2.220   3.845   1.202
  177    HA   ASP  23           HA       ASP  23   0.302   3.383   2.357
  178    HB2  ASP  23           HB2      ASP  23  -1.857   2.033   2.703
  179    HB3  ASP  23           HB1      ASP  23  -1.424   1.195   1.215
  180    H    LEU  24           HN       LEU  24  -0.933   2.774  -0.899
  181    HA   LEU  24           HA       LEU  24   1.343   1.473  -1.914
  182    HB2  LEU  24           HB2      LEU  24  -0.899   2.993  -3.151
  183    HB3  LEU  24           HB1      LEU  24   0.527   2.697  -4.127
  184    HG   LEU  24           HG       LEU  24  -1.266   1.036  -4.482
  185   HD11  LEU  24          HD11      LEU  24   1.280  -0.045  -3.277
  186   HD12  LEU  24          HD12      LEU  24   1.034   0.438  -4.955
  187   HD13  LEU  24          HD13      LEU  24   0.166  -0.951  -4.301
  188   HD21  LEU  24          HD21      LEU  24  -2.182   0.972  -2.231
  189   HD22  LEU  24          HD22      LEU  24  -0.687   0.252  -1.633
  190   HD23  LEU  24          HD23      LEU  24  -1.707  -0.641  -2.762
  191    H    ALA  25           HN       ALA  25   0.535   4.903  -1.689
  192    HA   ALA  25           HA       ALA  25   2.817   5.863  -3.044
  193    HB1  ALA  25           HB1      ALA  25   1.177   7.197  -0.889
  194    HB2  ALA  25           HB2      ALA  25   0.862   7.261  -2.624
  195    HB3  ALA  25           HB3      ALA  25   2.319   8.006  -1.963
  196    H    LYS  26           HN       LYS  26   2.188   5.086   0.336
  197    HA   LYS  26           HA       LYS  26   4.716   5.905   1.320
  198    HB2  LYS  26           HB2      LYS  26   2.754   3.880   2.412
  199    HB3  LYS  26           HB1      LYS  26   4.148   4.493   3.283
  200    HG2  LYS  26           HG2      LYS  26   3.224   6.734   3.248
  201    HG3  LYS  26           HG1      LYS  26   1.851   6.169   2.296
  202    HD2  LYS  26           HD2      LYS  26   1.171   6.354   4.593
  203    HD3  LYS  26           HD1      LYS  26   1.248   4.645   4.163
  204    HE2  LYS  26           HE2      LYS  26   2.208   5.002   6.359
  205    HE3  LYS  26           HE1      LYS  26   3.458   4.491   5.228
  206    HZ1  LYS  26           HZ1      LYS  26   4.115   6.348   6.710
  207    HZ2  LYS  26           HZ2      LYS  26   2.955   7.322   5.963
  208    HZ3  LYS  26           HZ3      LYS  26   4.251   6.715   5.069
  209    HA   4PH  27           HA       4PH  27   5.659   1.244   0.708
  210    HB2  4PH  27           HB1      4PH  27   3.488   0.971  -1.376
  211    HB3  4PH  27           HB2      4PH  27   3.546   0.206   0.202
  212    HD2  4PH  27           HD2      4PH  27   3.856  -0.415  -3.144
  213    HD1  4PH  27           HD1      4PH  27   5.879  -1.204   0.518
  214    HE2  4PH  27           HE2      4PH  27   4.916  -2.388  -4.156
  215    HE1  4PH  27           HE1      4PH  27   6.934  -3.182  -0.489
  216    H33  4PH  27           H33      4PH  27   5.952  -4.420  -3.717
  217   H33A  4PH  27          H33A      4PH  27   7.541  -3.725  -3.392
  218   H33B  4PH  27          H33B      4PH  27   6.758  -4.759  -2.191
  219    H    4PH  27           HN       4PH  27   3.428   2.857   0.120
  220    H    GLN  28           HN       GLN  28   4.732   2.933  -2.289
  221    HA   GLN  28           HA       GLN  28   6.909   2.043  -3.821
  222    HB2  GLN  28           HB2      GLN  28   5.204   4.526  -4.050
  223    HB3  GLN  28           HB1      GLN  28   6.403   4.060  -5.253
  224    HG2  GLN  28           HG2      GLN  28   5.195   2.078  -5.801
  225    HG3  GLN  28           HG1      GLN  28   4.115   2.282  -4.424
  226   HE21  GLN  28          HE21      GLN  28   3.525   2.045  -7.279
  227   HE22  GLN  28          HE22      GLN  28   2.615   3.455  -7.691
  228    H    LYS  29           HN       LYS  29   6.501   4.902  -1.808
  229    HA   LYS  29           HA       LYS  29   9.005   6.082  -2.372
  230    HB2  LYS  29           HB2      LYS  29   7.255   7.424  -1.445
  231    HB3  LYS  29           HB1      LYS  29   7.082   6.356  -0.064
  232    HG2  LYS  29           HG2      LYS  29   9.225   7.056   0.799
  233    HG3  LYS  29           HG1      LYS  29   9.500   8.053  -0.631
  234    HD2  LYS  29           HD2      LYS  29   7.684   9.501  -0.057
  235    HD3  LYS  29           HD1      LYS  29   7.169   8.424   1.241
  236    HE2  LYS  29           HE2      LYS  29   9.852   9.782   1.190
  237    HE3  LYS  29           HE1      LYS  29   8.431  10.491   1.952
  238    HZ1  LYS  29           HZ1      LYS  29   9.560   7.839   2.666
  239    HZ2  LYS  29           HZ2      LYS  29   8.309   8.655   3.458
  240    HZ3  LYS  29           HZ3      LYS  29   9.881   9.272   3.506
  241    H    ASP  30           HN       ASP  30   7.917   3.853   0.155
  242    HA   ASP  30           HA       ASP  30  10.418   3.965   1.563
  243    HB2  ASP  30           HB2      ASP  30   8.156   3.481   2.615
  244    HB3  ASP  30           HB1      ASP  30   8.269   1.872   1.910
  245    H    LEU  31           HN       LEU  31   8.948   1.818  -0.794
  246    HA   LEU  31           HA       LEU  31  10.802  -0.293  -0.661
  247    HB2  LEU  31           HB2      LEU  31   8.517  -0.077  -1.906
  248    HB3  LEU  31           HB1      LEU  31   9.478   0.584  -3.209
  249    HG   LEU  31           HG       LEU  31   8.908  -1.834  -3.445
  250   HD11  LEU  31          HD11      LEU  31  10.786  -0.916  -4.664
  251   HD12  LEU  31          HD12      LEU  31  11.146  -2.555  -4.124
  252   HD13  LEU  31          HD13      LEU  31  11.839  -1.173  -3.274
  253   HD21  LEU  31          HD21      LEU  31   9.131  -2.347  -1.027
  254   HD22  LEU  31          HD22      LEU  31  10.884  -2.234  -1.214
  255   HD23  LEU  31          HD23      LEU  31   9.980  -3.471  -2.087
  256    H    ALA  32           HN       ALA  32  10.713   2.670  -2.556
  257    HA   ALA  32           HA       ALA  32  13.077   2.234  -4.023
  258    HB1  ALA  32           HB1      ALA  32  11.343   3.862  -4.640
  259    HB2  ALA  32           HB2      ALA  32  12.944   4.591  -4.560
  260    HB3  ALA  32           HB3      ALA  32  11.794   4.846  -3.248
  261    H    ASP  33           HN       ASP  33  12.429   3.572  -0.870
  262    HA   ASP  33           HA       ASP  33  15.058   4.607  -0.416
  263    HB2  ASP  33           HB2      ASP  33  13.125   5.519   0.773
  264    HB3  ASP  33           HB1      ASP  33  12.820   3.955   1.515
  265    HA   4PH  34           HA       4PH  34  15.300   0.385   1.834
  266    HB2  4PH  34           HB1      4PH  34  13.540  -0.924  -0.249
  267    HB3  4PH  34           HB2      4PH  34  13.047  -0.496   1.381
  268    HD2  4PH  34           HD2      4PH  34  13.962  -3.148  -0.609
  269    HD1  4PH  34           HD1      4PH  34  14.729  -1.511   3.242
  270    HE2  4PH  34           HE2      4PH  34  14.620  -5.372   0.200
  271    HE1  4PH  34           HE1      4PH  34  15.382  -3.733   4.062
  272    H33  4PH  34           H33      4PH  34  15.827  -6.519   1.830
  273   H33A  4PH  34          H33A      4PH  34  16.139  -5.843   3.431
  274   H33B  4PH  34          H33B      4PH  34  14.531  -6.453   3.019
  275    H    4PH  34           HN       4PH  34  13.525   1.537  -0.044
  276    HN1  NH2  35           HN1      NH2  35  15.395   0.811  -1.604
  277    HN2  NH2  35           HN2      NH2  35  16.912   0.030  -1.876
  Start of MODEL    8
    1    H1   ACE   0           HA1      ACE   0  13.843  -2.452   5.613
    2    H2   ACE   0           HA2      ACE   0  13.398  -1.275   6.846
    3    H3   ACE   0           HA3      ACE   0  12.515  -1.289   5.321
    4    HA   PRO   1           HA       PRO   1  12.286  -3.909   4.006
    5    HB2  PRO   1           HB2      PRO   1  10.710  -6.327   4.715
    6    HB3  PRO   1           HB1      PRO   1  12.110  -6.172   3.636
    7    HG2  PRO   1           HG2      PRO   1  12.335  -7.329   6.013
    8    HG3  PRO   1           HG1      PRO   1  13.631  -6.309   5.347
    9    HD2  PRO   1           HD2      PRO   1  11.631  -5.662   7.472
   10    HD3  PRO   1           HD1      PRO   1  13.340  -5.194   7.344
   11    HA   PRO   2           HA       PRO   2   8.186  -1.977   3.992
   12    HB2  PRO   2           HB2      PRO   2   8.725  -1.803   1.093
   13    HB3  PRO   2           HB1      PRO   2   8.373  -0.503   2.246
   14    HG2  PRO   2           HG2      PRO   2  10.803  -0.873   1.177
   15    HG3  PRO   2           HG1      PRO   2  10.551  -0.210   2.802
   16    HD2  PRO   2           HD2      PRO   2  11.469  -2.919   1.992
   17    HD3  PRO   2           HD1      PRO   2  11.881  -1.962   3.429
   18    H    THR   3           HN       THR   3   6.444  -3.267   4.019
   19    HA   THR   3           HA       THR   3   6.376  -5.599   2.266
   20    HB   THR   3           HB       THR   3   4.362  -6.192   3.734
   21    HG1  THR   3           HG1      THR   3   4.476  -5.109   5.826
   22   HG21  THR   3          HG21      THR   3   7.103  -5.973   4.983
   23   HG22  THR   3          HG22      THR   3   6.520  -7.290   3.967
   24   HG23  THR   3          HG23      THR   3   5.799  -7.014   5.552
   25    H    LYS   4           HN       LYS   4   4.735  -5.999   0.839
   26    HA   LYS   4           HA       LYS   4   3.287  -3.683  -0.087
   27    HB2  LYS   4           HB2      LYS   4   2.692  -4.970  -1.997
   28    HB3  LYS   4           HB1      LYS   4   4.343  -5.437  -1.613
   29    HG2  LYS   4           HG2      LYS   4   3.538  -7.452  -0.526
   30    HG3  LYS   4           HG1      LYS   4   1.872  -6.976  -0.861
   31    HD2  LYS   4           HD2      LYS   4   2.411  -7.030  -3.291
   32    HD3  LYS   4           HD1      LYS   4   4.010  -7.656  -2.882
   33    HE2  LYS   4           HE2      LYS   4   2.959  -9.583  -1.783
   34    HE3  LYS   4           HE1      LYS   4   1.372  -8.962  -2.224
   35    HZ1  LYS   4           HZ1      LYS   4   1.993  -9.171  -4.551
   36    HZ2  LYS   4           HZ2      LYS   4   2.086 -10.659  -3.759
   37    HZ3  LYS   4           HZ3      LYS   4   3.498  -9.800  -4.112
   38    HA   PRO   5           HA       PRO   5  -0.496  -4.865   2.020
   39    HB2  PRO   5           HB2      PRO   5  -2.148  -3.079   0.879
   40    HB3  PRO   5           HB1      PRO   5  -0.918  -2.569   2.050
   41    HG2  PRO   5           HG2      PRO   5  -0.848  -2.422  -0.929
   42    HG3  PRO   5           HG1      PRO   5  -0.361  -1.208   0.272
   43    HD2  PRO   5           HD2      PRO   5   1.404  -2.849  -1.002
   44    HD3  PRO   5           HD1      PRO   5   1.684  -2.183   0.624
   45    H    THR   6           HN       THR   6  -2.437  -5.977   1.463
   46    HA   THR   6           HA       THR   6  -2.227  -7.338  -1.077
   47    HB   THR   6           HB       THR   6  -2.783  -8.562   1.039
   48    HG1  THR   6           HG1      THR   6  -4.967  -9.197  -0.443
   49   HG21  THR   6          HG21      THR   6  -5.451  -7.193   0.687
   50   HG22  THR   6          HG22      THR   6  -4.337  -6.985   2.038
   51   HG23  THR   6          HG23      THR   6  -5.134  -8.536   1.784
   52    H    LYS   7           HN       LYS   7  -4.027  -7.587  -2.507
   53    HA   LYS   7           HA       LYS   7  -5.080  -5.091  -3.295
   54    HB2  LYS   7           HB2      LYS   7  -5.858  -7.865  -4.203
   55    HB3  LYS   7           HB1      LYS   7  -6.262  -6.368  -5.029
   56    HG2  LYS   7           HG2      LYS   7  -3.486  -7.434  -4.581
   57    HG3  LYS   7           HG1      LYS   7  -4.393  -7.499  -6.092
   58    HD2  LYS   7           HD2      LYS   7  -4.485  -5.022  -6.090
   59    HD3  LYS   7           HD1      LYS   7  -3.468  -5.022  -4.644
   60    HE2  LYS   7           HE2      LYS   7  -2.134  -4.632  -6.634
   61    HE3  LYS   7           HE1      LYS   7  -1.705  -6.168  -5.884
   62    HZ1  LYS   7           HZ1      LYS   7  -1.894  -6.327  -8.303
   63    HZ2  LYS   7           HZ2      LYS   7  -3.518  -5.863  -8.212
   64    HZ3  LYS   7           HZ3      LYS   7  -3.017  -7.321  -7.524
   65    HA   PRO   8           HA       PRO   8  -8.644  -5.065  -0.603
   66    HB2  PRO   8           HB2      PRO   8  -9.573  -2.894  -2.373
   67    HB3  PRO   8           HB1      PRO   8  -9.241  -2.865  -0.629
   68    HG2  PRO   8           HG2      PRO   8  -7.662  -1.637  -2.402
   69    HG3  PRO   8           HG1      PRO   8  -7.026  -2.376  -0.919
   70    HD2  PRO   8           HD2      PRO   8  -6.936  -3.391  -3.726
   71    HD3  PRO   8           HD1      PRO   8  -5.718  -3.505  -2.434
   72    H    GLY   9           HN       GLY   9  -9.873  -6.802  -1.025
   73    HA2  GLY   9           HA2      GLY   9 -11.610  -6.736  -3.388
   74    HA3  GLY   9           HA1      GLY   9 -11.378  -8.121  -2.327
   75    H    ASP  10           HN       ASP  10 -11.881  -7.459   0.056
   76    HA   ASP  10           HA       ASP  10 -14.672  -6.726   0.113
   77    HB2  ASP  10           HB2      ASP  10 -13.968  -8.558   1.510
   78    HB3  ASP  10           HB1      ASP  10 -12.731  -7.567   2.276
   79    H    ASN  11           HN       ASN  11 -11.629  -5.416   1.351
   80    HA   ASN  11           HA       ASN  11 -12.971  -3.171   2.573
   81    HB2  ASN  11           HB2      ASN  11 -10.781  -2.487   3.363
   82    HB3  ASN  11           HB1      ASN  11 -11.020  -4.198   3.675
   83   HD21  ASN  11          HD21      ASN  11  -9.201  -1.831   1.930
   84   HD22  ASN  11          HD22      ASN  11  -8.008  -2.916   1.307
   85    H    ALA  12           HN       ALA  12 -12.638  -3.730  -0.471
   86    HA   ALA  12           HA       ALA  12 -11.137  -1.559  -1.520
   87    HB1  ALA  12           HB1      ALA  12 -11.588  -3.626  -2.767
   88    HB2  ALA  12           HB2      ALA  12 -12.065  -2.179  -3.657
   89    HB3  ALA  12           HB3      ALA  12 -13.290  -3.173  -2.865
   90    H    THR  13           HN       THR  13 -13.748  -1.294   0.287
   91    HA   THR  13           HA       THR  13 -15.622   0.280  -1.007
   92    HB   THR  13           HB       THR  13 -15.958   1.342   1.261
   93    HG1  THR  13           HG1      THR  13 -13.519   0.254   1.627
   94   HG21  THR  13          HG21      THR  13 -16.817  -0.706   2.273
   95   HG22  THR  13          HG22      THR  13 -15.864  -1.674   1.149
   96   HG23  THR  13          HG23      THR  13 -17.174  -0.659   0.547
   97    HA   PRO  14           HA       PRO  14 -13.703   3.902  -2.578
   98    HB2  PRO  14           HB2      PRO  14 -15.955   5.289  -1.168
   99    HB3  PRO  14           HB1      PRO  14 -15.391   5.477  -2.839
  100    HG2  PRO  14           HG2      PRO  14 -17.572   4.074  -2.259
  101    HG3  PRO  14           HG1      PRO  14 -16.471   3.606  -3.574
  102    HD2  PRO  14           HD2      PRO  14 -16.912   2.308  -0.959
  103    HD3  PRO  14           HD1      PRO  14 -16.264   1.631  -2.461
  104    H    GLU  15           HN       GLU  15 -14.880   4.182   0.778
  105    HA   GLU  15           HA       GLU  15 -13.256   6.422   1.409
  106    HB2  GLU  15           HB2      GLU  15 -14.641   4.402   3.173
  107    HB3  GLU  15           HB1      GLU  15 -13.818   5.827   3.787
  108    HG2  GLU  15           HG2      GLU  15 -15.348   7.265   2.601
  109    HG3  GLU  15           HG1      GLU  15 -16.120   5.865   1.859
  110    H    LYS  16           HN       LYS  16 -12.881   2.953   2.010
  111    HA   LYS  16           HA       LYS  16 -10.379   3.367   3.391
  112    HB2  LYS  16           HB2      LYS  16 -12.075   1.644   4.061
  113    HB3  LYS  16           HB1      LYS  16 -11.686   0.762   2.587
  114    HG2  LYS  16           HG2      LYS  16  -9.533   0.233   3.344
  115    HG3  LYS  16           HG1      LYS  16  -9.590   1.455   4.619
  116    HD2  LYS  16           HD2      LYS  16 -11.341   0.192   5.756
  117    HD3  LYS  16           HD1      LYS  16 -11.296  -1.027   4.486
  118    HE2  LYS  16           HE2      LYS  16  -9.016  -1.596   5.068
  119    HE3  LYS  16           HE1      LYS  16  -8.970  -0.299   6.262
  120    HZ1  LYS  16           HZ1      LYS  16  -9.367  -2.446   7.295
  121    HZ2  LYS  16           HZ2      LYS  16 -10.756  -2.669   6.361
  122    HZ3  LYS  16           HZ3      LYS  16 -10.701  -1.431   7.507
  123    H    LEU  17           HN       LEU  17 -11.418   2.859   0.205
  124    HA   LEU  17           HA       LEU  17  -9.145   1.576  -0.879
  125    HB2  LEU  17           HB2      LEU  17 -11.342   1.788  -2.017
  126    HB3  LEU  17           HB1      LEU  17 -11.047   3.505  -2.210
  127    HG   LEU  17           HG       LEU  17  -9.105   2.993  -3.642
  128   HD11  LEU  17          HD11      LEU  17  -8.789   0.706  -4.445
  129   HD12  LEU  17          HD12      LEU  17 -10.033   0.141  -3.331
  130   HD13  LEU  17          HD13      LEU  17  -8.531   0.816  -2.706
  131   HD21  LEU  17          HD21      LEU  17 -10.405   2.193  -5.558
  132   HD22  LEU  17          HD22      LEU  17 -11.289   3.404  -4.627
  133   HD23  LEU  17          HD23      LEU  17 -11.696   1.696  -4.463
  134    H    ALA  18           HN       ALA  18  -9.976   4.917  -0.227
  135    HA   ALA  18           HA       ALA  18  -7.706   6.099  -1.438
  136    HB1  ALA  18           HB1      ALA  18  -8.279   8.069  -0.079
  137    HB2  ALA  18           HB2      ALA  18  -9.457   7.096   0.803
  138    HB3  ALA  18           HB3      ALA  18  -9.679   7.406  -0.918
  139    H    LYS  19           HN       LYS  19  -8.435   4.913   1.780
  140    HA   LYS  19           HA       LYS  19  -6.038   5.619   3.058
  141    HB2  LYS  19           HB2      LYS  19  -8.079   4.858   4.224
  142    HB3  LYS  19           HB1      LYS  19  -7.847   3.246   3.566
  143    HG2  LYS  19           HG2      LYS  19  -5.780   3.010   4.803
  144    HG3  LYS  19           HG1      LYS  19  -5.950   4.650   5.435
  145    HD2  LYS  19           HD2      LYS  19  -8.085   3.982   6.482
  146    HD3  LYS  19           HD1      LYS  19  -7.825   2.335   5.910
  147    HE2  LYS  19           HE2      LYS  19  -5.784   2.190   7.230
  148    HE3  LYS  19           HE1      LYS  19  -6.005   3.852   7.774
  149    HZ1  LYS  19           HZ1      LYS  19  -8.061   3.195   8.849
  150    HZ2  LYS  19           HZ2      LYS  19  -6.773   2.264   9.427
  151    HZ3  LYS  19           HZ3      LYS  19  -7.864   1.602   8.318
  152    HA   4PH  20           HA       4PH  20  -4.600   1.329   1.431
  153    HB2  4PH  20           HB1      4PH  20  -6.621   1.431  -0.815
  154    HB3  4PH  20           HB2      4PH  20  -6.614   0.311   0.537
  155    HD2  4PH  20           HD2      4PH  20  -5.684   0.800  -2.816
  156    HD1  4PH  20           HD1      4PH  20  -4.537  -1.239   0.731
  157    HE2  4PH  20           HE2      4PH  20  -4.394  -0.800  -4.165
  158    HE1  4PH  20           HE1      4PH  20  -3.253  -2.850  -0.608
  159    H33  4PH  20           H33      4PH  20  -1.991  -2.466  -3.324
  160   H33A  4PH  20          H33A      4PH  20  -3.001  -3.791  -2.731
  161   H33B  4PH  20          H33B      4PH  20  -3.450  -2.914  -4.202
  162    H    4PH  20           HN       4PH  20  -6.976   2.805   1.152
  163    H    GLN  21           HN       GLN  21  -5.607   3.671  -1.066
  164    HA   GLN  21           HA       GLN  21  -3.287   3.587  -2.616
  165    HB2  GLN  21           HB2      GLN  21  -5.251   5.822  -2.135
  166    HB3  GLN  21           HB1      GLN  21  -3.947   5.928  -3.309
  167    HG2  GLN  21           HG2      GLN  21  -6.102   3.831  -3.319
  168    HG3  GLN  21           HG1      GLN  21  -6.109   5.296  -4.304
  169   HE21  GLN  21          HE21      GLN  21  -4.612   2.189  -3.802
  170   HE22  GLN  21          HE22      GLN  21  -3.805   2.114  -5.324
  171    H    ALA  22           HN       ALA  22  -3.991   5.354   0.326
  172    HA   ALA  22           HA       ALA  22  -1.778   7.084   0.325
  173    HB1  ALA  22           HB1      ALA  22  -3.245   5.908   2.681
  174    HB2  ALA  22           HB2      ALA  22  -3.722   7.354   1.791
  175    HB3  ALA  22           HB3      ALA  22  -2.212   7.339   2.703
  176    H    ASP  23           HN       ASP  23  -2.221   3.815   1.597
  177    HA   ASP  23           HA       ASP  23   0.356   3.597   2.765
  178    HB2  ASP  23           HB2      ASP  23  -1.613   2.076   3.251
  179    HB3  ASP  23           HB1      ASP  23  -1.299   1.301   1.702
  180    H    LEU  24           HN       LEU  24  -0.932   2.845  -0.425
  181    HA   LEU  24           HA       LEU  24   1.343   1.590  -1.473
  182    HB2  LEU  24           HB2      LEU  24  -0.982   3.007  -2.680
  183    HB3  LEU  24           HB1      LEU  24   0.399   2.654  -3.701
  184    HG   LEU  24           HG       LEU  24  -1.399   0.965  -3.869
  185   HD11  LEU  24          HD11      LEU  24   0.928   0.361  -4.351
  186   HD12  LEU  24          HD12      LEU  24   0.022  -0.993  -3.675
  187   HD13  LEU  24          HD13      LEU  24   1.155  -0.097  -2.662
  188   HD21  LEU  24          HD21      LEU  24  -2.222   1.054  -1.593
  189   HD22  LEU  24          HD22      LEU  24  -0.698   0.394  -1.000
  190   HD23  LEU  24          HD23      LEU  24  -1.751  -0.592  -2.017
  191    H    ALA  25           HN       ALA  25   0.506   4.980  -1.140
  192    HA   ALA  25           HA       ALA  25   2.597   6.032  -2.715
  193    HB1  ALA  25           HB1      ALA  25   1.233   7.253  -0.316
  194    HB2  ALA  25           HB2      ALA  25   0.678   7.366  -1.985
  195    HB3  ALA  25           HB3      ALA  25   2.200   8.121  -1.510
  196    H    LYS  26           HN       LYS  26   2.392   5.186   0.713
  197    HA   LYS  26           HA       LYS  26   5.043   6.018   1.334
  198    HB2  LYS  26           HB2      LYS  26   3.141   4.158   2.768
  199    HB3  LYS  26           HB1      LYS  26   4.694   4.665   3.416
  200    HG2  LYS  26           HG2      LYS  26   3.967   6.973   3.450
  201    HG3  LYS  26           HG1      LYS  26   2.439   6.523   2.691
  202    HD2  LYS  26           HD2      LYS  26   2.139   6.830   5.082
  203    HD3  LYS  26           HD1      LYS  26   1.887   5.141   4.642
  204    HE2  LYS  26           HE2      LYS  26   3.179   5.274   6.681
  205    HE3  LYS  26           HE1      LYS  26   4.180   4.631   5.383
  206    HZ1  LYS  26           HZ1      LYS  26   5.149   6.842   5.106
  207    HZ2  LYS  26           HZ2      LYS  26   5.391   6.253   6.669
  208    HZ3  LYS  26           HZ3      LYS  26   4.210   7.425   6.386
  209    HA   4PH  27           HA       4PH  27   5.805   1.302   0.919
  210    HB2  4PH  27           HB1      4PH  27   3.359   0.979  -0.814
  211    HB3  4PH  27           HB2      4PH  27   3.699   0.214   0.731
  212    HD2  4PH  27           HD2      4PH  27   3.497  -0.354  -2.662
  213    HD1  4PH  27           HD1      4PH  27   5.996  -1.228   0.671
  214    HE2  4PH  27           HE2      4PH  27   4.394  -2.300  -3.853
  215    HE1  4PH  27           HE1      4PH  27   6.897  -3.183  -0.518
  216    H33  4PH  27           H33      4PH  27   5.483  -4.335  -3.619
  217   H33A  4PH  27          H33A      4PH  27   7.102  -3.642  -3.491
  218   H33B  4PH  27          H33B      4PH  27   6.490  -4.714  -2.226
  219    H    4PH  27           HN       4PH  27   3.548   2.917   0.536
  220    H    GLN  28           HN       GLN  28   4.599   2.850  -2.066
  221    HA   GLN  28           HA       GLN  28   6.567   1.754  -3.752
  222    HB2  GLN  28           HB2      GLN  28   4.897   4.257  -4.015
  223    HB3  GLN  28           HB1      GLN  28   5.989   3.698  -5.277
  224    HG2  GLN  28           HG2      GLN  28   4.720   1.625  -5.477
  225    HG3  GLN  28           HG1      GLN  28   3.651   2.140  -4.174
  226   HE21  GLN  28          HE21      GLN  28   2.182   3.812  -4.557
  227   HE22  GLN  28          HE22      GLN  28   1.734   4.289  -6.153
  228    H    LYS  29           HN       LYS  29   6.578   4.631  -1.743
  229    HA   LYS  29           HA       LYS  29   8.974   5.663  -2.946
  230    HB2  LYS  29           HB2      LYS  29   7.184   7.103  -1.947
  231    HB3  LYS  29           HB1      LYS  29   7.676   6.525  -0.360
  232    HG2  LYS  29           HG2      LYS  29   9.928   7.427  -0.762
  233    HG3  LYS  29           HG1      LYS  29   9.374   8.066  -2.308
  234    HD2  LYS  29           HD2      LYS  29   7.706   9.430  -1.120
  235    HD3  LYS  29           HD1      LYS  29   8.321   8.816   0.417
  236    HE2  LYS  29           HE2      LYS  29   9.841  10.444  -1.614
  237    HE3  LYS  29           HE1      LYS  29   9.271  10.995  -0.041
  238    HZ1  LYS  29           HZ1      LYS  29  10.745   9.397   1.011
  239    HZ2  LYS  29           HZ2      LYS  29  11.621  10.436   0.008
  240    HZ3  LYS  29           HZ3      LYS  29  11.284   8.860  -0.499
  241    H    ASP  30           HN       ASP  30   8.153   3.984   0.082
  242    HA   ASP  30           HA       ASP  30  10.835   4.179   1.082
  243    HB2  ASP  30           HB2      ASP  30   8.756   3.923   2.525
  244    HB3  ASP  30           HB1      ASP  30   8.740   2.227   2.050
  245    H    LEU  31           HN       LEU  31   9.059   1.853  -0.824
  246    HA   LEU  31           HA       LEU  31  10.852  -0.308  -0.669
  247    HB2  LEU  31           HB2      LEU  31   8.487  -0.150  -1.731
  248    HB3  LEU  31           HB1      LEU  31   9.323   0.426  -3.154
  249    HG   LEU  31           HG       LEU  31   8.731  -1.979  -3.242
  250   HD11  LEU  31          HD11      LEU  31  10.893  -2.799  -4.018
  251   HD12  LEU  31          HD12      LEU  31  11.691  -1.425  -3.252
  252   HD13  LEU  31          HD13      LEU  31  10.577  -1.162  -4.594
  253   HD21  LEU  31          HD21      LEU  31   9.031  -2.437  -0.852
  254   HD22  LEU  31          HD22      LEU  31  10.776  -2.281  -1.057
  255   HD23  LEU  31          HD23      LEU  31   9.903  -3.575  -1.876
  256    H    ALA  32           HN       ALA  32  10.727   2.522  -2.758
  257    HA   ALA  32           HA       ALA  32  12.862   1.907  -4.453
  258    HB1  ALA  32           HB1      ALA  32  11.898   4.608  -3.533
  259    HB2  ALA  32           HB2      ALA  32  11.268   3.695  -4.904
  260    HB3  ALA  32           HB3      ALA  32  12.923   4.302  -4.934
  261    H    ASP  33           HN       ASP  33  12.751   3.283  -1.254
  262    HA   ASP  33           HA       ASP  33  15.501   4.064  -1.160
  263    HB2  ASP  33           HB2      ASP  33  13.772   5.118   0.259
  264    HB3  ASP  33           HB1      ASP  33  13.550   3.593   1.108
  265    HA   4PH  34           HA       4PH  34  15.815  -0.117   1.005
  266    HB2  4PH  34           HB1      4PH  34  13.338  -1.265  -0.294
  267    HB3  4PH  34           HB2      4PH  34  13.438  -0.671   1.354
  268    HD2  4PH  34           HD2      4PH  34  13.482  -3.535  -0.616
  269    HD1  4PH  34           HD1      4PH  34  15.376  -1.808   2.782
  270    HE2  4PH  34           HE2      4PH  34  14.112  -5.776   0.168
  271    HE1  4PH  34           HE1      4PH  34  16.008  -4.046   3.576
  272    H33  4PH  34           H33      4PH  34  15.497  -6.318   3.442
  273   H33A  4PH  34          H33A      4PH  34  14.719  -7.035   2.028
  274   H33B  4PH  34          H33B      4PH  34  16.424  -6.571   1.966
  275    H    4PH  34           HN       4PH  34  13.737   1.160  -0.509
  276    HN1  NH2  35           HN1      NH2  35  17.657  -0.516  -0.032
  277    HN2  NH2  35           HN2      NH2  35  17.802  -1.303  -1.564
  Start of MODEL    9
    1    H1   ACE   0           HA1      ACE   0  13.636  -4.146   4.996
    2    H2   ACE   0           HA2      ACE   0  13.784  -4.457   3.268
    3    H3   ACE   0           HA3      ACE   0  15.002  -5.110   4.361
    4    HA   PRO   1           HA       PRO   1  12.959  -5.795   1.592
    5    HB2  PRO   1           HB2      PRO   1  11.556  -8.412   1.366
    6    HB3  PRO   1           HB1      PRO   1  12.703  -7.651   0.247
    7    HG2  PRO   1           HG2      PRO   1  13.420  -9.719   1.744
    8    HG3  PRO   1           HG1      PRO   1  14.543  -8.386   1.396
    9    HD2  PRO   1           HD2      PRO   1  13.050  -8.983   3.908
   10    HD3  PRO   1           HD1      PRO   1  14.672  -8.293   3.688
   11    HA   PRO   2           HA       PRO   2   8.908  -4.578   3.127
   12    HB2  PRO   2           HB2      PRO   2   8.499  -2.573   1.316
   13    HB3  PRO   2           HB1      PRO   2   9.532  -2.381   2.747
   14    HG2  PRO   2           HG2      PRO   2  10.296  -2.866  -0.079
   15    HG3  PRO   2           HG1      PRO   2  11.071  -1.848   1.149
   16    HD2  PRO   2           HD2      PRO   2  11.983  -4.328   0.441
   17    HD3  PRO   2           HD1      PRO   2  12.259  -3.596   2.033
   18    H    THR   3           HN       THR   3   7.429  -6.090   2.635
   19    HA   THR   3           HA       THR   3   6.893  -6.846  -0.100
   20    HB   THR   3           HB       THR   3   5.077  -8.264   1.084
   21    HG1  THR   3           HG1      THR   3   5.738  -8.627   3.343
   22   HG21  THR   3          HG21      THR   3   7.160  -9.182   0.181
   23   HG22  THR   3          HG22      THR   3   6.723  -9.964   1.698
   24   HG23  THR   3          HG23      THR   3   8.001  -8.750   1.669
   25    H    LYS   4           HN       LYS   4   5.048  -6.447  -1.234
   26    HA   LYS   4           HA       LYS   4   3.731  -4.001  -0.692
   27    HB2  LYS   4           HB2      LYS   4   2.502  -4.382  -2.726
   28    HB3  LYS   4           HB1      LYS   4   4.149  -4.940  -2.987
   29    HG2  LYS   4           HG2      LYS   4   3.353  -7.248  -2.472
   30    HG3  LYS   4           HG1      LYS   4   1.709  -6.608  -2.478
   31    HD2  LYS   4           HD2      LYS   4   1.993  -5.886  -4.790
   32    HD3  LYS   4           HD1      LYS   4   3.654  -6.483  -4.782
   33    HE2  LYS   4           HE2      LYS   4   1.144  -8.124  -4.467
   34    HE3  LYS   4           HE1      LYS   4   2.218  -8.097  -5.865
   35    HZ1  LYS   4           HZ1      LYS   4   3.994  -8.950  -4.407
   36    HZ2  LYS   4           HZ2      LYS   4   2.695 -10.020  -4.551
   37    HZ3  LYS   4           HZ3      LYS   4   2.876  -9.095  -3.145
   38    HA   PRO   5           HA       PRO   5   0.311  -5.306   1.833
   39    HB2  PRO   5           HB2      PRO   5  -1.504  -3.418   0.971
   40    HB3  PRO   5           HB1      PRO   5  -0.258  -3.118   2.189
   41    HG2  PRO   5           HG2      PRO   5  -0.272  -2.415  -0.698
   42    HG3  PRO   5           HG1      PRO   5   0.346  -1.500   0.690
   43    HD2  PRO   5           HD2      PRO   5   1.963  -2.849  -0.985
   44    HD3  PRO   5           HD1      PRO   5   2.325  -2.672   0.748
   45    H    THR   6           HN       THR   6  -1.860  -6.143   1.643
   46    HA   THR   6           HA       THR   6  -2.174  -7.633  -0.807
   47    HB   THR   6           HB       THR   6  -2.500  -8.699   1.411
   48    HG1  THR   6           HG1      THR   6  -5.009  -9.095   0.470
   49   HG21  THR   6          HG21      THR   6  -3.598  -6.835   2.560
   50   HG22  THR   6          HG22      THR   6  -4.562  -8.307   2.657
   51   HG23  THR   6          HG23      THR   6  -5.011  -7.031   1.526
   52    H    LYS   7           HN       LYS   7  -3.816  -7.502  -2.261
   53    HA   LYS   7           HA       LYS   7  -5.012  -4.949  -2.647
   54    HB2  LYS   7           HB2      LYS   7  -5.565  -7.560  -4.061
   55    HB3  LYS   7           HB1      LYS   7  -6.079  -5.978  -4.612
   56    HG2  LYS   7           HG2      LYS   7  -3.220  -6.866  -4.310
   57    HG3  LYS   7           HG1      LYS   7  -4.121  -6.821  -5.824
   58    HD2  LYS   7           HD2      LYS   7  -3.463  -4.445  -4.077
   59    HD3  LYS   7           HD1      LYS   7  -2.666  -4.873  -5.589
   60    HE2  LYS   7           HE2      LYS   7  -5.584  -4.161  -5.292
   61    HE3  LYS   7           HE1      LYS   7  -4.323  -3.073  -5.867
   62    HZ1  LYS   7           HZ1      LYS   7  -5.469  -3.992  -7.731
   63    HZ2  LYS   7           HZ2      LYS   7  -5.241  -5.572  -7.178
   64    HZ3  LYS   7           HZ3      LYS   7  -3.915  -4.659  -7.694
   65    HA   PRO   8           HA       PRO   8  -8.629  -5.617  -0.074
   66    HB2  PRO   8           HB2      PRO   8  -9.536  -3.212  -1.572
   67    HB3  PRO   8           HB1      PRO   8  -9.435  -3.477   0.181
   68    HG2  PRO   8           HG2      PRO   8  -7.715  -1.892  -1.068
   69    HG3  PRO   8           HG1      PRO   8  -7.196  -2.940   0.269
   70    HD2  PRO   8           HD2      PRO   8  -6.801  -3.298  -2.674
   71    HD3  PRO   8           HD1      PRO   8  -5.697  -3.663  -1.327
   72    H    GLY   9           HN       GLY   9 -10.391  -6.809  -0.479
   73    HA2  GLY   9           HA2      GLY   9 -11.208  -7.127  -3.280
   74    HA3  GLY   9           HA1      GLY   9 -11.557  -8.253  -1.979
   75    H    ASP  10           HN       ASP  10 -13.014  -7.390  -0.242
   76    HA   ASP  10           HA       ASP  10 -15.176  -5.843  -1.478
   77    HB2  ASP  10           HB2      ASP  10 -15.152  -7.667   0.928
   78    HB3  ASP  10           HB1      ASP  10 -16.536  -6.682   0.465
   79    H    ASN  11           HN       ASN  11 -12.702  -5.665   0.845
   80    HA   ASN  11           HA       ASN  11 -13.828  -3.404   2.246
   81    HB2  ASN  11           HB2      ASN  11 -11.631  -3.258   3.368
   82    HB3  ASN  11           HB1      ASN  11 -12.319  -4.872   3.478
   83   HD21  ASN  11          HD21      ASN  11  -9.529  -3.944   3.690
   84   HD22  ASN  11          HD22      ASN  11  -8.648  -4.845   2.510
   85    H    ALA  12           HN       ALA  12 -13.059  -3.652  -0.762
   86    HA   ALA  12           HA       ALA  12 -11.170  -1.513  -1.142
   87    HB1  ALA  12           HB1      ALA  12 -11.244  -3.477  -2.631
   88    HB2  ALA  12           HB2      ALA  12 -11.442  -1.954  -3.501
   89    HB3  ALA  12           HB3      ALA  12 -12.845  -2.974  -3.176
   90    H    THR  13           HN       THR  13 -13.838  -1.019   0.163
   91    HA   THR  13           HA       THR  13 -15.478   0.531  -1.492
   92    HB   THR  13           HB       THR  13 -15.939   1.747   0.788
   93    HG1  THR  13           HG1      THR  13 -14.586   1.075   2.282
   94   HG21  THR  13          HG21      THR  13 -17.409  -0.097   1.463
   95   HG22  THR  13          HG22      THR  13 -16.548  -1.180   0.367
   96   HG23  THR  13          HG23      THR  13 -17.473   0.177  -0.278
   97    HA   PRO  14           HA       PRO  14 -13.157   3.925  -2.957
   98    HB2  PRO  14           HB2      PRO  14 -15.443   5.506  -1.827
   99    HB3  PRO  14           HB1      PRO  14 -14.667   5.636  -3.416
  100    HG2  PRO  14           HG2      PRO  14 -16.991   4.371  -3.092
  101    HG3  PRO  14           HG1      PRO  14 -15.776   3.839  -4.277
  102    HD2  PRO  14           HD2      PRO  14 -16.620   2.542  -1.776
  103    HD3  PRO  14           HD1      PRO  14 -15.755   1.858  -3.161
  104    H    GLU  15           HN       GLU  15 -14.644   4.502   0.239
  105    HA   GLU  15           HA       GLU  15 -12.870   6.587   0.954
  106    HB2  GLU  15           HB2      GLU  15 -14.554   4.778   2.682
  107    HB3  GLU  15           HB1      GLU  15 -13.699   6.195   3.272
  108    HG2  GLU  15           HG2      GLU  15 -15.026   7.590   1.733
  109    HG3  GLU  15           HG1      GLU  15 -15.915   6.149   1.245
  110    H    LYS  16           HN       LYS  16 -12.875   3.124   1.726
  111    HA   LYS  16           HA       LYS  16 -10.488   3.356   3.309
  112    HB2  LYS  16           HB2      LYS  16 -12.171   1.711   3.937
  113    HB3  LYS  16           HB1      LYS  16 -12.016   0.919   2.369
  114    HG2  LYS  16           HG2      LYS  16  -9.799   0.205   2.872
  115    HG3  LYS  16           HG1      LYS  16  -9.767   1.171   4.346
  116    HD2  LYS  16           HD2      LYS  16 -11.473  -0.227   5.339
  117    HD3  LYS  16           HD1      LYS  16 -11.631  -1.144   3.838
  118    HE2  LYS  16           HE2      LYS  16 -10.266  -2.332   5.496
  119    HE3  LYS  16           HE1      LYS  16  -9.347  -1.935   4.048
  120    HZ1  LYS  16           HZ1      LYS  16  -8.032  -1.474   5.978
  121    HZ2  LYS  16           HZ2      LYS  16  -9.245  -0.508   6.649
  122    HZ3  LYS  16           HZ3      LYS  16  -8.442  -0.004   5.250
  123    H    LEU  17           HN       LEU  17 -11.320   2.574   0.039
  124    HA   LEU  17           HA       LEU  17  -8.904   1.348  -0.744
  125    HB2  LEU  17           HB2      LEU  17 -11.013   1.318  -2.056
  126    HB3  LEU  17           HB1      LEU  17 -10.785   3.021  -2.406
  127    HG   LEU  17           HG       LEU  17  -8.740   2.504  -3.652
  128   HD11  LEU  17          HD11      LEU  17  -8.176   0.168  -4.141
  129   HD12  LEU  17          HD12      LEU  17  -9.431  -0.362  -3.019
  130   HD13  LEU  17          HD13      LEU  17  -8.033   0.530  -2.422
  131   HD21  LEU  17          HD21      LEU  17  -9.812   1.383  -5.534
  132   HD22  LEU  17          HD22      LEU  17 -10.895   2.567  -4.802
  133   HD23  LEU  17          HD23      LEU  17 -11.116   0.847  -4.475
  134    H    ALA  18           HN       ALA  18  -9.939   4.668  -0.438
  135    HA   ALA  18           HA       ALA  18  -7.671   5.887  -1.610
  136    HB1  ALA  18           HB1      ALA  18  -9.731   7.109  -1.321
  137    HB2  ALA  18           HB2      ALA  18  -8.444   7.908  -0.415
  138    HB3  ALA  18           HB3      ALA  18  -9.635   6.915   0.428
  139    H    LYS  19           HN       LYS  19  -8.558   5.119   1.731
  140    HA   LYS  19           HA       LYS  19  -6.217   5.914   3.015
  141    HB2  LYS  19           HB2      LYS  19  -8.167   5.284   4.284
  142    HB3  LYS  19           HB1      LYS  19  -8.140   3.659   3.617
  143    HG2  LYS  19           HG2      LYS  19  -7.339   3.569   5.857
  144    HG3  LYS  19           HG1      LYS  19  -5.984   3.274   4.771
  145    HD2  LYS  19           HD2      LYS  19  -5.238   5.578   5.054
  146    HD3  LYS  19           HD1      LYS  19  -6.621   5.908   6.100
  147    HE2  LYS  19           HE2      LYS  19  -5.810   4.192   7.671
  148    HE3  LYS  19           HE1      LYS  19  -4.407   3.931   6.639
  149    HZ1  LYS  19           HZ1      LYS  19  -3.853   5.382   8.460
  150    HZ2  LYS  19           HZ2      LYS  19  -5.097   6.451   8.049
  151    HZ3  LYS  19           HZ3      LYS  19  -3.779   6.251   7.013
  152    HA   4PH  20           HA       4PH  20  -4.683   1.511   1.889
  153    HB2  4PH  20           HB1      4PH  20  -6.519   1.379  -0.511
  154    HB3  4PH  20           HB2      4PH  20  -6.659   0.430   0.961
  155    HD2  4PH  20           HD2      4PH  20  -5.488   0.444  -2.332
  156    HD1  4PH  20           HD1      4PH  20  -4.571  -1.032   1.542
  157    HE2  4PH  20           HE2      4PH  20  -4.097  -1.316  -3.340
  158    HE1  4PH  20           HE1      4PH  20  -3.188  -2.794   0.551
  159    H33  4PH  20           H33      4PH  20  -3.318  -4.015  -2.221
  160   H33A  4PH  20          H33A      4PH  20  -2.300  -2.758  -2.929
  161   H33B  4PH  20          H33B      4PH  20  -1.956  -3.385  -1.312
  162    H    4PH  20           HN       4PH  20  -7.019   2.958   1.294
  163    H    GLN  21           HN       GLN  21  -5.488   3.647  -0.846
  164    HA   GLN  21           HA       GLN  21  -3.079   3.417  -2.237
  165    HB2  GLN  21           HB2      GLN  21  -5.012   5.723  -2.041
  166    HB3  GLN  21           HB1      GLN  21  -3.641   5.702  -3.142
  167    HG2  GLN  21           HG2      GLN  21  -5.872   3.682  -3.121
  168    HG3  GLN  21           HG1      GLN  21  -5.754   5.059  -4.219
  169   HE21  GLN  21          HE21      GLN  21  -4.458   1.937  -3.387
  170   HE22  GLN  21          HE22      GLN  21  -3.545   1.713  -4.832
  171    H    ALA  22           HN       ALA  22  -3.906   5.333   0.570
  172    HA   ALA  22           HA       ALA  22  -1.696   7.067   0.572
  173    HB1  ALA  22           HB1      ALA  22  -3.263   6.015   2.920
  174    HB2  ALA  22           HB2      ALA  22  -3.697   7.415   1.937
  175    HB3  ALA  22           HB3      ALA  22  -2.227   7.444   2.913
  176    H    ASP  23           HN       ASP  23  -2.131   3.798   1.801
  177    HA   ASP  23           HA       ASP  23   0.446   3.684   3.062
  178    HB2  ASP  23           HB2      ASP  23  -1.502   2.196   3.678
  179    HB3  ASP  23           HB1      ASP  23  -1.229   1.331   2.169
  180    H    LEU  24           HN       LEU  24  -0.876   2.788  -0.066
  181    HA   LEU  24           HA       LEU  24   1.362   1.446  -1.083
  182    HB2  LEU  24           HB2      LEU  24  -0.949   2.856  -2.327
  183    HB3  LEU  24           HB1      LEU  24   0.413   2.426  -3.344
  184    HG   LEU  24           HG       LEU  24  -1.471   0.777  -3.356
  185   HD11  LEU  24          HD11      LEU  24   0.800   0.147  -4.018
  186   HD12  LEU  24          HD12      LEU  24  -0.041  -1.186  -3.224
  187   HD13  LEU  24          HD13      LEU  24   1.173  -0.259  -2.343
  188   HD21  LEU  24          HD21      LEU  24  -1.683  -0.733  -1.449
  189   HD22  LEU  24          HD22      LEU  24  -2.095   0.926  -1.011
  190   HD23  LEU  24          HD23      LEU  24  -0.533   0.252  -0.543
  191    H    ALA  25           HN       ALA  25   0.576   4.864  -0.923
  192    HA   ALA  25           HA       ALA  25   2.700   5.832  -2.489
  193    HB1  ALA  25           HB1      ALA  25   0.834   7.230  -1.760
  194    HB2  ALA  25           HB2      ALA  25   2.381   7.941  -1.296
  195    HB3  ALA  25           HB3      ALA  25   1.393   7.112  -0.091
  196    H    LYS  26           HN       LYS  26   2.505   4.916   0.906
  197    HA   LYS  26           HA       LYS  26   5.153   5.736   1.557
  198    HB2  LYS  26           HB2      LYS  26   3.239   3.856   2.943
  199    HB3  LYS  26           HB1      LYS  26   4.792   4.340   3.607
  200    HG2  LYS  26           HG2      LYS  26   2.508   6.189   2.954
  201    HG3  LYS  26           HG1      LYS  26   2.958   5.627   4.566
  202    HD2  LYS  26           HD2      LYS  26   5.167   6.691   4.285
  203    HD3  LYS  26           HD1      LYS  26   4.652   7.303   2.713
  204    HE2  LYS  26           HE2      LYS  26   2.854   8.557   3.793
  205    HE3  LYS  26           HE1      LYS  26   3.366   7.940   5.363
  206    HZ1  LYS  26           HZ1      LYS  26   4.220  10.159   4.969
  207    HZ2  LYS  26           HZ2      LYS  26   4.996   9.643   3.560
  208    HZ3  LYS  26           HZ3      LYS  26   5.492   9.047   5.062
  209    HA   4PH  27           HA       4PH  27   5.931   1.045   0.942
  210    HB2  4PH  27           HB1      4PH  27   3.442   0.807  -0.738
  211    HB3  4PH  27           HB2      4PH  27   3.883  -0.109   0.693
  212    HD2  4PH  27           HD2      4PH  27   3.504  -0.322  -2.715
  213    HD1  4PH  27           HD1      4PH  27   6.234  -1.440   0.350
  214    HE2  4PH  27           HE2      4PH  27   4.411  -2.074  -4.171
  215    HE1  4PH  27           HE1      4PH  27   7.143  -3.204  -1.106
  216    H33  4PH  27           H33      4PH  27   7.195  -3.285  -4.125
  217   H33A  4PH  27          H33A      4PH  27   6.732  -4.541  -2.976
  218   H33B  4PH  27          H33B      4PH  27   5.613  -4.046  -4.254
  219    H    4PH  27           HN       4PH  27   3.651   2.654   0.685
  220    H    GLN  28           HN       GLN  28   4.664   2.774  -1.903
  221    HA   GLN  28           HA       GLN  28   6.701   1.870  -3.639
  222    HB2  GLN  28           HB2      GLN  28   4.875   4.271  -3.827
  223    HB3  GLN  28           HB1      GLN  28   5.944   3.741  -5.123
  224    HG2  GLN  28           HG2      GLN  28   4.767   1.609  -5.249
  225    HG3  GLN  28           HG1      GLN  28   3.729   2.086  -3.908
  226   HE21  GLN  28          HE21      GLN  28   2.164   3.681  -4.247
  227   HE22  GLN  28          HE22      GLN  28   1.621   4.099  -5.829
  228    H    LYS  29           HN       LYS  29   6.468   4.624  -1.485
  229    HA   LYS  29           HA       LYS  29   8.732   6.027  -2.469
  230    HB2  LYS  29           HB2      LYS  29   6.977   7.055  -1.032
  231    HB3  LYS  29           HB1      LYS  29   7.542   6.082   0.315
  232    HG2  LYS  29           HG2      LYS  29   8.438   8.270   0.565
  233    HG3  LYS  29           HG1      LYS  29   9.759   7.195   0.112
  234    HD2  LYS  29           HD2      LYS  29   9.980   9.230  -1.137
  235    HD3  LYS  29           HD1      LYS  29   9.482   7.953  -2.246
  236    HE2  LYS  29           HE2      LYS  29   8.242   9.980  -2.712
  237    HE3  LYS  29           HE1      LYS  29   7.155   8.746  -2.082
  238    HZ1  LYS  29           HZ1      LYS  29   7.287   9.813   0.094
  239    HZ2  LYS  29           HZ2      LYS  29   6.706  10.883  -1.075
  240    HZ3  LYS  29           HZ3      LYS  29   8.302  11.009  -0.538
  241    H    ASP  30           HN       ASP  30   8.276   3.771   0.235
  242    HA   ASP  30           HA       ASP  30  11.014   3.794   1.016
  243    HB2  ASP  30           HB2      ASP  30   9.268   3.164   2.607
  244    HB3  ASP  30           HB1      ASP  30   8.836   1.775   1.617
  245    H    LEU  31           HN       LEU  31   9.090   1.755  -1.113
  246    HA   LEU  31           HA       LEU  31  11.010  -0.226  -1.641
  247    HB2  LEU  31           HB2      LEU  31   8.484  -0.022  -2.313
  248    HB3  LEU  31           HB1      LEU  31   9.109   0.792  -3.729
  249    HG   LEU  31           HG       LEU  31   8.581  -1.602  -4.095
  250   HD11  LEU  31          HD11      LEU  31  10.643  -2.183  -5.257
  251   HD12  LEU  31          HD12      LEU  31  11.488  -0.890  -4.405
  252   HD13  LEU  31          HD13      LEU  31  10.190  -0.502  -5.536
  253   HD21  LEU  31          HD21      LEU  31   9.962  -3.321  -3.145
  254   HD22  LEU  31          HD22      LEU  31   9.231  -2.373  -1.848
  255   HD23  LEU  31          HD23      LEU  31  10.923  -2.122  -2.282
  256    H    ALA  32           HN       ALA  32  10.401   2.932  -3.078
  257    HA   ALA  32           HA       ALA  32  12.272   2.820  -5.159
  258    HB1  ALA  32           HB1      ALA  32  10.533   4.528  -5.015
  259    HB2  ALA  32           HB2      ALA  32  12.133   5.255  -5.178
  260    HB3  ALA  32           HB3      ALA  32  11.333   5.224  -3.605
  261    H    ASP  33           HN       ASP  33  12.570   3.820  -1.792
  262    HA   ASP  33           HA       ASP  33  15.295   4.622  -2.005
  263    HB2  ASP  33           HB2      ASP  33  13.897   5.516  -0.228
  264    HB3  ASP  33           HB1      ASP  33  13.645   3.901   0.424
  265    HA   4PH  34           HA       4PH  34  15.929   0.279  -0.048
  266    HB2  4PH  34           HB1      4PH  34  13.405  -0.820  -1.296
  267    HB3  4PH  34           HB2      4PH  34  13.613  -0.419   0.403
  268    HD2  4PH  34           HD2      4PH  34  13.930  -2.953  -2.080
  269    HD1  4PH  34           HD1      4PH  34  15.391  -1.679   1.707
  270    HE2  4PH  34           HE2      4PH  34  14.730  -5.231  -1.627
  271    HE1  4PH  34           HE1      4PH  34  16.192  -3.957   2.169
  272    H33  4PH  34           H33      4PH  34  15.343  -6.729   0.042
  273   H33A  4PH  34          H33A      4PH  34  16.988  -6.110   0.206
  274   H33B  4PH  34          H33B      4PH  34  15.926  -6.201   1.617
  275    H    4PH  34           HN       4PH  34  13.680   1.663  -0.980
  276    HN1  NH2  35           HN1      NH2  35  14.350   0.167  -3.211
  277    HN2  NH2  35           HN2      NH2  35  15.711  -0.469  -4.068
  Start of MODEL   10
    1    H1   ACE   0           HA1      ACE   0  14.104  -3.162   5.422
    2    H2   ACE   0           HA2      ACE   0  14.160  -1.896   6.644
    3    H3   ACE   0           HA3      ACE   0  12.997  -1.758   5.328
    4    HA   PRO   1           HA       PRO   1  12.134  -4.528   4.311
    5    HB2  PRO   1           HB2      PRO   1  10.360  -6.584   4.948
    6    HB3  PRO   1           HB1      PRO   1  12.088  -6.796   4.602
    7    HG2  PRO   1           HG2      PRO   1  10.693  -6.640   7.222
    8    HG3  PRO   1           HG1      PRO   1  12.056  -7.663   6.718
    9    HD2  PRO   1           HD2      PRO   1  12.454  -5.498   8.240
   10    HD3  PRO   1           HD1      PRO   1  13.610  -5.951   6.965
   11    HA   PRO   2           HA       PRO   2   8.364  -2.114   4.543
   12    HB2  PRO   2           HB2      PRO   2   8.150  -2.368   1.652
   13    HB3  PRO   2           HB1      PRO   2   8.559  -0.931   2.605
   14    HG2  PRO   2           HG2      PRO   2  10.309  -2.223   0.983
   15    HG3  PRO   2           HG1      PRO   2  10.779  -1.251   2.390
   16    HD2  PRO   2           HD2      PRO   2  10.633  -4.213   2.108
   17    HD3  PRO   2           HD1      PRO   2  11.771  -3.214   3.035
   18    H    THR   3           HN       THR   3   6.518  -3.078   5.169
   19    HA   THR   3           HA       THR   3   5.683  -5.607   4.178
   20    HB   THR   3           HB       THR   3   3.535  -5.025   5.458
   21    HG1  THR   3           HG1      THR   3   4.849  -3.128   6.935
   22   HG21  THR   3          HG21      THR   3   4.594  -5.431   7.625
   23   HG22  THR   3          HG22      THR   3   6.167  -5.025   6.938
   24   HG23  THR   3          HG23      THR   3   5.299  -6.452   6.372
   25    H    LYS   4           HN       LYS   4   4.706  -5.971   2.302
   26    HA   LYS   4           HA       LYS   4   3.607  -3.846   0.747
   27    HB2  LYS   4           HB2      LYS   4   3.167  -5.475  -0.945
   28    HB3  LYS   4           HB1      LYS   4   4.706  -5.912  -0.216
   29    HG2  LYS   4           HG2      LYS   4   3.593  -7.621   1.115
   30    HG3  LYS   4           HG1      LYS   4   2.049  -7.181   0.382
   31    HD2  LYS   4           HD2      LYS   4   2.965  -7.767  -1.830
   32    HD3  LYS   4           HD1      LYS   4   4.471  -8.266  -1.054
   33    HE2  LYS   4           HE2      LYS   4   3.120 -10.208  -1.488
   34    HE3  LYS   4           HE1      LYS   4   3.202  -9.935   0.250
   35    HZ1  LYS   4           HZ1      LYS   4   1.011  -8.919   0.157
   36    HZ2  LYS   4           HZ2      LYS   4   0.962 -10.491  -0.457
   37    HZ3  LYS   4           HZ3      LYS   4   0.937  -9.173  -1.512
   38    HA   PRO   5           HA       PRO   5  -0.469  -3.891   2.455
   39    HB2  PRO   5           HB2      PRO   5  -1.764  -2.577   0.479
   40    HB3  PRO   5           HB1      PRO   5  -0.632  -1.762   1.568
   41    HG2  PRO   5           HG2      PRO   5  -0.181  -2.757  -1.205
   42    HG3  PRO   5           HG1      PRO   5   0.300  -1.219  -0.464
   43    HD2  PRO   5           HD2      PRO   5   2.014  -3.279  -0.758
   44    HD3  PRO   5           HD1      PRO   5   2.111  -2.139   0.605
   45    H    THR   6           HN       THR   6  -2.489  -4.893   2.210
   46    HA   THR   6           HA       THR   6  -2.475  -7.109   0.338
   47    HB   THR   6           HB       THR   6  -3.070  -7.557   2.679
   48    HG1  THR   6           HG1      THR   6  -4.554  -9.000   2.104
   49   HG21  THR   6          HG21      THR   6  -4.172  -5.457   3.241
   50   HG22  THR   6          HG22      THR   6  -5.229  -6.826   3.580
   51   HG23  THR   6          HG23      THR   6  -5.495  -5.843   2.140
   52    H    LYS   7           HN       LYS   7  -3.876  -7.406  -1.300
   53    HA   LYS   7           HA       LYS   7  -4.719  -5.178  -2.725
   54    HB2  LYS   7           HB2      LYS   7  -5.766  -7.991  -3.026
   55    HB3  LYS   7           HB1      LYS   7  -5.761  -6.738  -4.255
   56    HG2  LYS   7           HG2      LYS   7  -3.275  -7.913  -3.037
   57    HG3  LYS   7           HG1      LYS   7  -4.011  -8.482  -4.533
   58    HD2  LYS   7           HD2      LYS   7  -2.954  -5.696  -4.032
   59    HD3  LYS   7           HD1      LYS   7  -2.143  -6.956  -4.962
   60    HE2  LYS   7           HE2      LYS   7  -4.777  -5.638  -5.626
   61    HE3  LYS   7           HE1      LYS   7  -3.242  -5.394  -6.454
   62    HZ1  LYS   7           HZ1      LYS   7  -4.808  -7.914  -6.357
   63    HZ2  LYS   7           HZ2      LYS   7  -3.283  -7.760  -7.072
   64    HZ3  LYS   7           HZ3      LYS   7  -4.603  -6.905  -7.698
   65    HA   PRO   8           HA       PRO   8  -8.749  -4.408  -0.966
   66    HB2  PRO   8           HB2      PRO   8  -9.370  -2.736  -3.250
   67    HB3  PRO   8           HB1      PRO   8  -8.995  -2.246  -1.586
   68    HG2  PRO   8           HG2      PRO   8  -7.370  -1.746  -3.703
   69    HG3  PRO   8           HG1      PRO   8  -6.793  -1.927  -2.033
   70    HD2  PRO   8           HD2      PRO   8  -6.750  -3.915  -4.271
   71    HD3  PRO   8           HD1      PRO   8  -5.516  -3.563  -3.039
   72    H    GLY   9           HN       GLY   9  -9.691  -6.425  -1.257
   73    HA2  GLY   9           HA2      GLY   9 -11.218  -6.803  -3.747
   74    HA3  GLY   9           HA1      GLY   9 -10.970  -8.026  -2.504
   75    H    ASP  10           HN       ASP  10 -11.951  -7.551  -0.368
   76    HA   ASP  10           HA       ASP  10 -14.601  -6.375  -0.626
   77    HB2  ASP  10           HB2      ASP  10 -14.394  -8.448   0.651
   78    HB3  ASP  10           HB1      ASP  10 -13.220  -7.699   1.726
   79    H    ASN  11           HN       ASN  11 -11.523  -5.789   0.862
   80    HA   ASN  11           HA       ASN  11 -12.260  -3.464   2.333
   81    HB2  ASN  11           HB2      ASN  11  -9.753  -3.131   2.487
   82    HB3  ASN  11           HB1      ASN  11 -10.359  -4.652   3.122
   83   HD21  ASN  11          HD21      ASN  11  -7.676  -3.900   2.141
   84   HD22  ASN  11          HD22      ASN  11  -7.302  -5.057   0.916
   85    H    ALA  12           HN       ALA  12 -12.519  -3.771  -0.776
   86    HA   ALA  12           HA       ALA  12 -11.055  -1.470  -1.718
   87    HB1  ALA  12           HB1      ALA  12 -13.112  -3.118  -3.168
   88    HB2  ALA  12           HB2      ALA  12 -11.388  -3.475  -3.126
   89    HB3  ALA  12           HB3      ALA  12 -11.961  -1.985  -3.879
   90    H    THR  13           HN       THR  13 -13.277  -1.274   0.341
   91    HA   THR  13           HA       THR  13 -15.447   0.096  -0.836
   92    HB   THR  13           HB       THR  13 -15.755   1.078   1.473
   93    HG1  THR  13           HG1      THR  13 -14.407   0.348   3.103
   94   HG21  THR  13          HG21      THR  13 -16.391  -1.067   2.489
   95   HG22  THR  13          HG22      THR  13 -15.469  -1.918   1.249
   96   HG23  THR  13          HG23      THR  13 -16.882  -0.966   0.799
   97    HA   PRO  14           HA       PRO  14 -13.715   3.786  -2.434
   98    HB2  PRO  14           HB2      PRO  14 -15.995   5.098  -1.004
   99    HB3  PRO  14           HB1      PRO  14 -15.463   5.286  -2.685
  100    HG2  PRO  14           HG2      PRO  14 -17.586   3.811  -2.058
  101    HG3  PRO  14           HG1      PRO  14 -16.488   3.368  -3.385
  102    HD2  PRO  14           HD2      PRO  14 -16.834   2.092  -0.739
  103    HD3  PRO  14           HD1      PRO  14 -16.206   1.411  -2.250
  104    H    GLU  15           HN       GLU  15 -14.718   3.840   0.961
  105    HA   GLU  15           HA       GLU  15 -13.191   6.167   1.611
  106    HB2  GLU  15           HB2      GLU  15 -14.438   4.047   3.358
  107    HB3  GLU  15           HB1      GLU  15 -13.719   5.535   3.958
  108    HG2  GLU  15           HG2      GLU  15 -15.376   6.856   2.921
  109    HG3  GLU  15           HG1      GLU  15 -15.970   5.489   1.984
  110    H    LYS  16           HN       LYS  16 -12.715   2.685   2.105
  111    HA   LYS  16           HA       LYS  16 -10.203   3.117   3.445
  112    HB2  LYS  16           HB2      LYS  16 -11.808   1.258   4.013
  113    HB3  LYS  16           HB1      LYS  16 -11.372   0.500   2.483
  114    HG2  LYS  16           HG2      LYS  16  -9.035   0.375   3.242
  115    HG3  LYS  16           HG1      LYS  16  -9.517   1.077   4.787
  116    HD2  LYS  16           HD2      LYS  16 -11.052  -0.822   5.137
  117    HD3  LYS  16           HD1      LYS  16 -10.486  -1.533   3.626
  118    HE2  LYS  16           HE2      LYS  16  -8.821  -0.968   6.076
  119    HE3  LYS  16           HE1      LYS  16  -9.362  -2.552   5.527
  120    HZ1  LYS  16           HZ1      LYS  16  -8.068  -2.156   3.466
  121    HZ2  LYS  16           HZ2      LYS  16  -7.116  -2.246   4.855
  122    HZ3  LYS  16           HZ3      LYS  16  -7.450  -0.744   4.157
  123    H    LEU  17           HN       LEU  17 -11.326   2.502   0.248
  124    HA   LEU  17           HA       LEU  17  -8.978   1.483  -0.922
  125    HB2  LEU  17           HB2      LEU  17 -11.209   1.473  -1.989
  126    HB3  LEU  17           HB1      LEU  17 -11.117   3.215  -2.158
  127    HG   LEU  17           HG       LEU  17  -9.209   2.960  -3.691
  128   HD11  LEU  17          HD11      LEU  17  -8.612   0.753  -4.536
  129   HD12  LEU  17          HD12      LEU  17  -9.738   0.006  -3.403
  130   HD13  LEU  17          HD13      LEU  17  -8.319   0.859  -2.801
  131   HD21  LEU  17          HD21      LEU  17 -11.629   1.320  -4.417
  132   HD22  LEU  17          HD22      LEU  17 -10.477   2.022  -5.556
  133   HD23  LEU  17          HD23      LEU  17 -11.485   3.073  -4.560
  134    H    ALA  18           HN       ALA  18 -10.078   4.734  -0.223
  135    HA   ALA  18           HA       ALA  18  -7.951   6.093  -1.521
  136    HB1  ALA  18           HB1      ALA  18 -10.062   7.190  -0.994
  137    HB2  ALA  18           HB2      ALA  18  -8.705   8.043  -0.258
  138    HB3  ALA  18           HB3      ALA  18  -9.735   7.005   0.729
  139    H    LYS  19           HN       LYS  19  -8.533   5.026   1.795
  140    HA   LYS  19           HA       LYS  19  -6.158   5.925   2.970
  141    HB2  LYS  19           HB2      LYS  19  -7.979   5.061   4.323
  142    HB3  LYS  19           HB1      LYS  19  -7.838   3.479   3.571
  143    HG2  LYS  19           HG2      LYS  19  -5.583   3.250   4.544
  144    HG3  LYS  19           HG1      LYS  19  -5.815   4.790   5.374
  145    HD2  LYS  19           HD2      LYS  19  -7.600   2.380   5.709
  146    HD3  LYS  19           HD1      LYS  19  -6.279   2.800   6.797
  147    HE2  LYS  19           HE2      LYS  19  -8.661   4.552   6.203
  148    HE3  LYS  19           HE1      LYS  19  -8.482   3.537   7.632
  149    HZ1  LYS  19           HZ1      LYS  19  -7.870   5.807   8.111
  150    HZ2  LYS  19           HZ2      LYS  19  -6.720   5.800   6.875
  151    HZ3  LYS  19           HZ3      LYS  19  -6.509   4.812   8.228
  152    HA   4PH  20           HA       4PH  20  -4.519   1.622   1.465
  153    HB2  4PH  20           HB1      4PH  20  -6.510   1.639  -0.815
  154    HB3  4PH  20           HB2      4PH  20  -6.576   0.599   0.596
  155    HD2  4PH  20           HD2      4PH  20  -5.368   0.971  -2.724
  156    HD1  4PH  20           HD1      4PH  20  -4.701  -1.068   0.940
  157    HE2  4PH  20           HE2      4PH  20  -4.067  -0.739  -3.920
  158    HE1  4PH  20           HE1      4PH  20  -3.418  -2.791  -0.248
  159    H33  4PH  20           H33      4PH  20  -3.003  -3.776  -2.306
  160   H33A  4PH  20          H33A      4PH  20  -3.271  -2.928  -3.832
  161   H33B  4PH  20          H33B      4PH  20  -1.874  -2.528  -2.826
  162    H    4PH  20           HN       4PH  20  -6.945   2.969   1.238
  163    H    GLN  21           HN       GLN  21  -5.618   3.906  -1.048
  164    HA   GLN  21           HA       GLN  21  -3.333   3.865  -2.643
  165    HB2  GLN  21           HB2      GLN  21  -5.320   6.072  -2.122
  166    HB3  GLN  21           HB1      GLN  21  -4.053   6.188  -3.335
  167    HG2  GLN  21           HG2      GLN  21  -6.169   4.052  -3.276
  168    HG3  GLN  21           HG1      GLN  21  -6.249   5.524  -4.247
  169   HE21  GLN  21          HE21      GLN  21  -4.677   2.446  -3.829
  170   HE22  GLN  21          HE22      GLN  21  -3.909   2.406  -5.372
  171    H    ALA  22           HN       ALA  22  -4.011   5.726   0.270
  172    HA   ALA  22           HA       ALA  22  -1.762   7.432   0.109
  173    HB1  ALA  22           HB1      ALA  22  -2.224   7.926   2.457
  174    HB2  ALA  22           HB2      ALA  22  -3.342   6.562   2.521
  175    HB3  ALA  22           HB3      ALA  22  -3.700   7.947   1.492
  176    H    ASP  23           HN       ASP  23  -2.318   4.289   1.582
  177    HA   ASP  23           HA       ASP  23   0.237   4.120   2.846
  178    HB2  ASP  23           HB2      ASP  23  -1.595   2.753   3.672
  179    HB3  ASP  23           HB1      ASP  23  -1.755   1.958   2.110
  180    H    LEU  24           HN       LEU  24  -1.038   3.207  -0.299
  181    HA   LEU  24           HA       LEU  24   1.186   1.734  -1.193
  182    HB2  LEU  24           HB2      LEU  24  -1.066   3.137  -2.535
  183    HB3  LEU  24           HB1      LEU  24   0.323   2.695  -3.512
  184    HG   LEU  24           HG       LEU  24  -1.604   1.060  -3.507
  185   HD11  LEU  24          HD11      LEU  24   0.604   0.423  -4.278
  186   HD12  LEU  24          HD12      LEU  24  -0.137  -0.907  -3.384
  187   HD13  LEU  24          HD13      LEU  24   1.109   0.084  -2.623
  188   HD21  LEU  24          HD21      LEU  24  -0.591   0.547  -0.719
  189   HD22  LEU  24          HD22      LEU  24  -1.712  -0.489  -1.605
  190   HD23  LEU  24          HD23      LEU  24  -2.185   1.152  -1.168
  191    H    ALA  25           HN       ALA  25   0.532   5.173  -1.099
  192    HA   ALA  25           HA       ALA  25   2.675   6.027  -2.713
  193    HB1  ALA  25           HB1      ALA  25   1.429   7.433  -0.350
  194    HB2  ALA  25           HB2      ALA  25   0.844   7.502  -2.011
  195    HB3  ALA  25           HB3      ALA  25   2.419   8.183  -1.603
  196    H    LYS  26           HN       LYS  26   2.437   5.341   0.745
  197    HA   LYS  26           HA       LYS  26   5.132   6.010   1.334
  198    HB2  LYS  26           HB2      LYS  26   3.112   4.325   2.812
  199    HB3  LYS  26           HB1      LYS  26   4.702   4.720   3.449
  200    HG2  LYS  26           HG2      LYS  26   4.149   7.097   3.359
  201    HG3  LYS  26           HG1      LYS  26   2.556   6.698   2.714
  202    HD2  LYS  26           HD2      LYS  26   2.013   5.489   4.752
  203    HD3  LYS  26           HD1      LYS  26   3.625   5.814   5.393
  204    HE2  LYS  26           HE2      LYS  26   3.187   8.181   5.415
  205    HE3  LYS  26           HE1      LYS  26   1.630   7.934   4.632
  206    HZ1  LYS  26           HZ1      LYS  26   2.376   6.956   7.331
  207    HZ2  LYS  26           HZ2      LYS  26   0.876   6.731   6.584
  208    HZ3  LYS  26           HZ3      LYS  26   1.386   8.287   7.002
  209    HA   4PH  27           HA       4PH  27   5.596   1.248   1.023
  210    HB2  4PH  27           HB1      4PH  27   3.172   1.044  -0.761
  211    HB3  4PH  27           HB2      4PH  27   3.401   0.327   0.826
  212    HD2  4PH  27           HD2      4PH  27   3.332  -0.340  -2.569
  213    HD1  4PH  27           HD1      4PH  27   5.544  -1.306   0.936
  214    HE2  4PH  27           HE2      4PH  27   4.116  -2.402  -3.638
  215    HE1  4PH  27           HE1      4PH  27   6.330  -3.379  -0.131
  216    H33  4PH  27           H33      4PH  27   4.980  -4.528  -3.256
  217   H33A  4PH  27          H33A      4PH  27   6.648  -3.978  -3.076
  218   H33B  4PH  27          H33B      4PH  27   5.881  -4.932  -1.799
  219    H    4PH  27           HN       4PH  27   3.447   2.996   0.607
  220    H    GLN  28           HN       GLN  28   4.502   2.837  -1.977
  221    HA   GLN  28           HA       GLN  28   6.422   1.681  -3.661
  222    HB2  GLN  28           HB2      GLN  28   4.952   4.315  -3.853
  223    HB3  GLN  28           HB1      GLN  28   5.991   3.697  -5.132
  224    HG2  GLN  28           HG2      GLN  28   4.558   1.795  -5.454
  225    HG3  GLN  28           HG1      GLN  28   3.591   2.229  -4.047
  226   HE21  GLN  28          HE21      GLN  28   2.209   4.002  -4.171
  227   HE22  GLN  28          HE22      GLN  28   1.693   4.657  -5.683
  228    H    LYS  29           HN       LYS  29   6.470   4.691  -1.829
  229    HA   LYS  29           HA       LYS  29   8.969   5.623  -2.746
  230    HB2  LYS  29           HB2      LYS  29   7.309   7.081  -1.727
  231    HB3  LYS  29           HB1      LYS  29   7.428   6.198  -0.217
  232    HG2  LYS  29           HG2      LYS  29   9.660   6.999   0.142
  233    HG3  LYS  29           HG1      LYS  29   9.680   7.764  -1.449
  234    HD2  LYS  29           HD2      LYS  29   9.239   9.381   0.360
  235    HD3  LYS  29           HD1      LYS  29   7.897   9.271  -0.779
  236    HE2  LYS  29           HE2      LYS  29   6.788   7.685   0.803
  237    HE3  LYS  29           HE1      LYS  29   8.078   8.016   1.957
  238    HZ1  LYS  29           HZ1      LYS  29   6.181  10.009   0.841
  239    HZ2  LYS  29           HZ2      LYS  29   7.429  10.350   1.926
  240    HZ3  LYS  29           HZ3      LYS  29   6.144   9.369   2.405
  241    H    ASP  30           HN       ASP  30   8.026   3.758   0.117
  242    HA   ASP  30           HA       ASP  30  10.674   3.696   1.199
  243    HB2  ASP  30           HB2      ASP  30   8.570   3.467   2.563
  244    HB3  ASP  30           HB1      ASP  30   8.364   1.859   1.877
  245    H    LEU  31           HN       LEU  31   8.809   1.635  -0.917
  246    HA   LEU  31           HA       LEU  31  10.507  -0.624  -0.873
  247    HB2  LEU  31           HB2      LEU  31   8.090  -0.303  -1.818
  248    HB3  LEU  31           HB1      LEU  31   8.911   0.209  -3.275
  249    HG   LEU  31           HG       LEU  31   8.161  -2.157  -3.309
  250   HD11  LEU  31          HD11      LEU  31   9.990  -1.439  -4.748
  251   HD12  LEU  31          HD12      LEU  31  10.221  -3.097  -4.195
  252   HD13  LEU  31          HD13      LEU  31  11.145  -1.786  -3.461
  253   HD21  LEU  31          HD21      LEU  31  10.298  -2.586  -1.235
  254   HD22  LEU  31          HD22      LEU  31   9.273  -3.814  -1.978
  255   HD23  LEU  31          HD23      LEU  31   8.563  -2.596  -0.915
  256    H    ALA  32           HN       ALA  32  10.356   2.243  -2.927
  257    HA   ALA  32           HA       ALA  32  12.356   1.568  -4.750
  258    HB1  ALA  32           HB1      ALA  32  11.605   4.309  -3.742
  259    HB2  ALA  32           HB2      ALA  32  10.814   3.444  -5.059
  260    HB3  ALA  32           HB3      ALA  32  12.495   3.956  -5.224
  261    H    ASP  33           HN       ASP  33  12.548   3.296  -1.676
  262    HA   ASP  33           HA       ASP  33  15.341   3.742  -1.755
  263    HB2  ASP  33           HB2      ASP  33  13.903   5.077  -0.327
  264    HB3  ASP  33           HB1      ASP  33  13.424   3.647   0.581
  265    HA   4PH  34           HA       4PH  34  15.482  -0.303   0.672
  266    HB2  4PH  34           HB1      4PH  34  12.916  -1.408  -0.483
  267    HB3  4PH  34           HB2      4PH  34  13.068  -0.685   1.112
  268    HD2  4PH  34           HD2      4PH  34  14.813  -1.771   2.691
  269    HD1  4PH  34           HD1      4PH  34  13.152  -3.702  -0.718
  270    HE2  4PH  34           HE2      4PH  34  15.387  -3.960   3.654
  271    HE1  4PH  34           HE1      4PH  34  13.723  -5.893   0.237
  272    H33  4PH  34           H33      4PH  34  15.102  -7.002   1.758
  273   H33A  4PH  34          H33A      4PH  34  15.779  -6.204   3.179
  274   H33B  4PH  34          H33B      4PH  34  14.069  -6.650   3.138
  275    H    4PH  34           HN       4PH  34  13.411   1.029  -0.798
  276    HN1  NH2  35           HN1      NH2  35  17.231  -0.982  -0.348
  277    HN2  NH2  35           HN2      NH2  35  17.274  -1.798  -1.871
  Start of MODEL   11
    1    H1   ACE   0           HA1      ACE   0  14.136  -3.981   4.841
    2    H2   ACE   0           HA2      ACE   0  14.101  -3.491   6.531
    3    H3   ACE   0           HA3      ACE   0  12.961  -2.756   5.407
    4    HA   PRO   1           HA       PRO   1  12.860  -5.232   3.170
    5    HB2  PRO   1           HB2      PRO   1  11.385  -7.577   2.776
    6    HB3  PRO   1           HB1      PRO   1  13.157  -7.460   2.748
    7    HG2  PRO   1           HG2      PRO   1  11.359  -8.351   4.938
    8    HG3  PRO   1           HG1      PRO   1  12.961  -8.960   4.459
    9    HD2  PRO   1           HD2      PRO   1  12.662  -7.383   6.606
   10    HD3  PRO   1           HD1      PRO   1  14.086  -7.245   5.549
   11    HA   PRO   2           HA       PRO   2   8.799  -3.439   3.455
   12    HB2  PRO   2           HB2      PRO   2   8.824  -2.149   1.041
   13    HB3  PRO   2           HB1      PRO   2   9.685  -1.551   2.475
   14    HG2  PRO   2           HG2      PRO   2  10.739  -2.875   0.066
   15    HG3  PRO   2           HG1      PRO   2  11.504  -1.696   1.147
   16    HD2  PRO   2           HD2      PRO   2  11.976  -4.448   1.136
   17    HD3  PRO   2           HD1      PRO   2  12.426  -3.320   2.425
   18    H    THR   3           HN       THR   3   7.267  -4.968   3.311
   19    HA   THR   3           HA       THR   3   6.850  -6.401   0.814
   20    HB   THR   3           HB       THR   3   5.113  -7.636   2.177
   21    HG1  THR   3           HG1      THR   3   5.965  -7.121   4.598
   22   HG21  THR   3          HG21      THR   3   6.755  -8.919   3.461
   23   HG22  THR   3          HG22      THR   3   7.933  -7.623   3.256
   24   HG23  THR   3          HG23      THR   3   7.366  -8.529   1.855
   25    H    LYS   4           HN       LYS   4   5.031  -6.193  -0.447
   26    HA   LYS   4           HA       LYS   4   3.610  -3.717  -0.202
   27    HB2  LYS   4           HB2      LYS   4   2.621  -4.209  -2.305
   28    HB3  LYS   4           HB1      LYS   4   4.266  -4.821  -2.401
   29    HG2  LYS   4           HG2      LYS   4   3.425  -7.081  -1.925
   30    HG3  LYS   4           HG1      LYS   4   1.779  -6.439  -1.928
   31    HD2  LYS   4           HD2      LYS   4   2.116  -5.673  -4.251
   32    HD3  LYS   4           HD1      LYS   4   3.723  -6.399  -4.235
   33    HE2  LYS   4           HE2      LYS   4   1.099  -7.851  -3.913
   34    HE3  LYS   4           HE1      LYS   4   2.133  -7.864  -5.339
   35    HZ1  LYS   4           HZ1      LYS   4   2.460  -9.849  -4.038
   36    HZ2  LYS   4           HZ2      LYS   4   2.836  -8.939  -2.666
   37    HZ3  LYS   4           HZ3      LYS   4   3.871  -8.914  -4.005
   38    HA   PRO   5           HA       PRO   5   0.168  -5.202   2.157
   39    HB2  PRO   5           HB2      PRO   5  -1.701  -3.379   1.405
   40    HB3  PRO   5           HB1      PRO   5  -0.372  -2.982   2.508
   41    HG2  PRO   5           HG2      PRO   5  -0.611  -2.439  -0.413
   42    HG3  PRO   5           HG1      PRO   5  -0.018  -1.385   0.887
   43    HD2  PRO   5           HD2      PRO   5   1.652  -2.727  -0.755
   44    HD3  PRO   5           HD1      PRO   5   2.051  -2.392   0.945
   45    H    THR   6           HN       THR   6  -1.831  -6.260   1.909
   46    HA   THR   6           HA       THR   6  -2.116  -7.647  -0.558
   47    HB   THR   6           HB       THR   6  -2.609  -8.759   1.559
   48    HG1  THR   6           HG1      THR   6  -5.134  -8.969   0.675
   49   HG21  THR   6          HG21      THR   6  -4.938  -6.856   1.753
   50   HG22  THR   6          HG22      THR   6  -3.533  -6.899   2.816
   51   HG23  THR   6          HG23      THR   6  -4.668  -8.248   2.801
   52    H    LYS   7           HN       LYS   7  -3.725  -7.556  -2.068
   53    HA   LYS   7           HA       LYS   7  -4.763  -4.973  -2.636
   54    HB2  LYS   7           HB2      LYS   7  -5.488  -7.601  -3.941
   55    HB3  LYS   7           HB1      LYS   7  -5.712  -5.997  -4.620
   56    HG2  LYS   7           HG2      LYS   7  -3.049  -7.254  -3.999
   57    HG3  LYS   7           HG1      LYS   7  -3.798  -7.195  -5.592
   58    HD2  LYS   7           HD2      LYS   7  -3.749  -4.738  -5.504
   59    HD3  LYS   7           HD1      LYS   7  -2.977  -4.828  -3.917
   60    HE2  LYS   7           HE2      LYS   7  -1.059  -5.950  -4.874
   61    HE3  LYS   7           HE1      LYS   7  -1.833  -5.981  -6.456
   62    HZ1  LYS   7           HZ1      LYS   7  -1.010  -3.543  -4.974
   63    HZ2  LYS   7           HZ2      LYS   7  -1.778  -3.557  -6.475
   64    HZ3  LYS   7           HZ3      LYS   7  -0.222  -4.201  -6.315
   65    HA   PRO   8           HA       PRO   8  -8.556  -5.438  -0.237
   66    HB2  PRO   8           HB2      PRO   8  -9.301  -2.946  -1.637
   67    HB3  PRO   8           HB1      PRO   8  -9.161  -3.260   0.106
   68    HG2  PRO   8           HG2      PRO   8  -7.399  -1.738  -1.191
   69    HG3  PRO   8           HG1      PRO   8  -6.913  -2.801   0.147
   70    HD2  PRO   8           HD2      PRO   8  -6.590  -3.209  -2.803
   71    HD3  PRO   8           HD1      PRO   8  -5.465  -3.586  -1.476
   72    H    GLY   9           HN       GLY   9 -10.026  -6.843  -0.933
   73    HA2  GLY   9           HA2      GLY   9 -11.134  -6.535  -3.638
   74    HA3  GLY   9           HA1      GLY   9 -11.259  -7.981  -2.642
   75    H    ASP  10           HN       ASP  10 -12.493  -7.674  -0.575
   76    HA   ASP  10           HA       ASP  10 -15.052  -6.497  -1.195
   77    HB2  ASP  10           HB2      ASP  10 -14.065  -7.959   1.263
   78    HB3  ASP  10           HB1      ASP  10 -15.718  -7.407   1.035
   79    H    ASN  11           HN       ASN  11 -12.303  -5.787   0.817
   80    HA   ASN  11           HA       ASN  11 -13.656  -3.647   2.217
   81    HB2  ASN  11           HB2      ASN  11 -11.512  -3.293   3.361
   82    HB3  ASN  11           HB1      ASN  11 -12.014  -4.975   3.446
   83   HD21  ASN  11          HD21      ASN  11  -9.360  -3.618   3.608
   84   HD22  ASN  11          HD22      ASN  11  -8.373  -4.446   2.462
   85    H    ALA  12           HN       ALA  12 -12.812  -3.793  -0.800
   86    HA   ALA  12           HA       ALA  12 -11.111  -1.526  -1.150
   87    HB1  ALA  12           HB1      ALA  12 -11.165  -3.351  -2.765
   88    HB2  ALA  12           HB2      ALA  12 -11.568  -1.811  -3.526
   89    HB3  ALA  12           HB3      ALA  12 -12.844  -2.967  -3.145
   90    H    THR  13           HN       THR  13 -13.646  -1.183   0.363
   91    HA   THR  13           HA       THR  13 -15.509   0.353  -1.054
   92    HB   THR  13           HB       THR  13 -15.942   1.366   1.265
   93    HG1  THR  13           HG1      THR  13 -14.684  -0.667   2.547
   94   HG21  THR  13          HG21      THR  13 -16.048  -1.629   0.913
   95   HG22  THR  13          HG22      THR  13 -17.251  -0.475   0.339
   96   HG23  THR  13          HG23      THR  13 -16.995  -0.692   2.070
   97    HA   PRO  14           HA       PRO  14 -13.534   3.903  -2.523
   98    HB2  PRO  14           HB2      PRO  14 -15.685   5.419  -1.085
   99    HB3  PRO  14           HB1      PRO  14 -15.124   5.580  -2.761
  100    HG2  PRO  14           HG2      PRO  14 -17.373   4.297  -2.178
  101    HG3  PRO  14           HG1      PRO  14 -16.298   3.758  -3.488
  102    HD2  PRO  14           HD2      PRO  14 -16.801   2.515  -0.851
  103    HD3  PRO  14           HD1      PRO  14 -16.212   1.782  -2.352
  104    H    GLU  15           HN       GLU  15 -14.658   4.404   0.851
  105    HA   GLU  15           HA       GLU  15 -12.846   6.549   1.300
  106    HB2  GLU  15           HB2      GLU  15 -14.345   4.828   3.274
  107    HB3  GLU  15           HB1      GLU  15 -13.456   6.281   3.696
  108    HG2  GLU  15           HG2      GLU  15 -14.940   7.577   2.224
  109    HG3  GLU  15           HG1      GLU  15 -15.849   6.104   1.891
  110    H    LYS  16           HN       LYS  16 -12.717   3.101   1.976
  111    HA   LYS  16           HA       LYS  16 -10.227   3.323   3.411
  112    HB2  LYS  16           HB2      LYS  16 -11.877   1.611   4.035
  113    HB3  LYS  16           HB1      LYS  16 -11.715   0.870   2.444
  114    HG2  LYS  16           HG2      LYS  16  -9.363   0.379   2.924
  115    HG3  LYS  16           HG1      LYS  16  -9.545   1.098   4.525
  116    HD2  LYS  16           HD2      LYS  16 -11.111  -1.265   3.499
  117    HD3  LYS  16           HD1      LYS  16  -9.698  -1.369   4.548
  118    HE2  LYS  16           HE2      LYS  16 -12.260   0.068   5.223
  119    HE3  LYS  16           HE1      LYS  16 -11.834  -1.548   5.775
  120    HZ1  LYS  16           HZ1      LYS  16  -9.935  -0.624   6.934
  121    HZ2  LYS  16           HZ2      LYS  16 -11.355   0.133   7.447
  122    HZ3  LYS  16           HZ3      LYS  16 -10.313   0.931   6.383
  123    H    LEU  17           HN       LEU  17 -11.317   2.497   0.193
  124    HA   LEU  17           HA       LEU  17  -8.930   1.396  -0.795
  125    HB2  LEU  17           HB2      LEU  17 -11.141   1.297  -1.921
  126    HB3  LEU  17           HB1      LEU  17 -11.000   3.005  -2.287
  127    HG   LEU  17           HG       LEU  17  -9.057   2.547  -3.712
  128   HD11  LEU  17          HD11      LEU  17  -8.479   0.225  -4.260
  129   HD12  LEU  17          HD12      LEU  17  -9.604  -0.336  -3.022
  130   HD13  LEU  17          HD13      LEU  17  -8.181   0.592  -2.563
  131   HD21  LEU  17          HD21      LEU  17 -11.308   2.543  -4.657
  132   HD22  LEU  17          HD22      LEU  17 -11.447   0.818  -4.317
  133   HD23  LEU  17          HD23      LEU  17 -10.259   1.393  -5.488
  134    H    ALA  18           HN       ALA  18 -10.087   4.688  -0.508
  135    HA   ALA  18           HA       ALA  18  -7.933   5.966  -1.816
  136    HB1  ALA  18           HB1      ALA  18 -10.065   7.068  -1.434
  137    HB2  ALA  18           HB2      ALA  18  -8.750   7.990  -0.708
  138    HB3  ALA  18           HB3      ALA  18  -9.800   7.000   0.307
  139    H    LYS  19           HN       LYS  19  -8.542   5.017   1.510
  140    HA   LYS  19           HA       LYS  19  -6.221   6.171   2.643
  141    HB2  LYS  19           HB2      LYS  19  -8.196   5.396   3.942
  142    HB3  LYS  19           HB1      LYS  19  -7.767   3.734   3.562
  143    HG2  LYS  19           HG2      LYS  19  -7.043   4.265   5.790
  144    HG3  LYS  19           HG1      LYS  19  -5.634   4.037   4.754
  145    HD2  LYS  19           HD2      LYS  19  -5.279   6.396   4.599
  146    HD3  LYS  19           HD1      LYS  19  -6.814   6.733   5.403
  147    HE2  LYS  19           HE2      LYS  19  -4.482   5.300   6.667
  148    HE3  LYS  19           HE1      LYS  19  -4.848   7.010   6.883
  149    HZ1  LYS  19           HZ1      LYS  19  -6.986   6.378   7.834
  150    HZ2  LYS  19           HZ2      LYS  19  -5.705   5.717   8.711
  151    HZ3  LYS  19           HZ3      LYS  19  -6.598   4.742   7.658
  152    HA   4PH  20           HA       4PH  20  -4.495   1.783   1.691
  153    HB2  4PH  20           HB1      4PH  20  -6.530   1.428  -0.505
  154    HB3  4PH  20           HB2      4PH  20  -6.423   0.520   0.995
  155    HD2  4PH  20           HD2      4PH  20  -4.249  -0.838   1.357
  156    HD1  4PH  20           HD1      4PH  20  -5.572   0.601  -2.416
  157    HE2  4PH  20           HE2      4PH  20  -2.863  -2.521   0.230
  158    HE1  4PH  20           HE1      4PH  20  -4.188  -1.080  -3.551
  159    H33  4PH  20           H33      4PH  20  -1.673  -2.460  -2.536
  160   H33A  4PH  20          H33A      4PH  20  -2.602  -3.746  -1.757
  161   H33B  4PH  20          H33B      4PH  20  -3.114  -3.093  -3.318
  162    H    4PH  20           HN       4PH  20  -6.937   3.070   1.170
  163    H    GLN  21           HN       GLN  21  -5.544   3.862  -0.978
  164    HA   GLN  21           HA       GLN  21  -3.289   3.594  -2.612
  165    HB2  GLN  21           HB2      GLN  21  -5.122   5.956  -2.198
  166    HB3  GLN  21           HB1      GLN  21  -3.904   5.872  -3.463
  167    HG2  GLN  21           HG2      GLN  21  -6.142   3.891  -3.145
  168    HG3  GLN  21           HG1      GLN  21  -6.208   5.304  -4.197
  169   HE21  GLN  21          HE21      GLN  21  -4.782   2.168  -3.695
  170   HE22  GLN  21          HE22      GLN  21  -4.133   1.999  -5.286
  171    H    ALA  22           HN       ALA  22  -3.870   5.594   0.205
  172    HA   ALA  22           HA       ALA  22  -1.465   7.093   0.048
  173    HB1  ALA  22           HB1      ALA  22  -3.218   6.496   2.423
  174    HB2  ALA  22           HB2      ALA  22  -3.405   7.853   1.315
  175    HB3  ALA  22           HB3      ALA  22  -1.975   7.746   2.342
  176    H    ASP  23           HN       ASP  23  -2.364   4.024   1.493
  177    HA   ASP  23           HA       ASP  23   0.060   3.646   2.945
  178    HB2  ASP  23           HB2      ASP  23  -2.198   2.335   3.154
  179    HB3  ASP  23           HB1      ASP  23  -1.529   1.342   1.862
  180    H    LEU  24           HN       LEU  24  -1.080   2.668  -0.255
  181    HA   LEU  24           HA       LEU  24   1.222   1.368  -1.133
  182    HB2  LEU  24           HB2      LEU  24  -0.961   2.858  -2.518
  183    HB3  LEU  24           HB1      LEU  24   0.462   2.396  -3.433
  184    HG   LEU  24           HG       LEU  24  -1.416   0.519  -1.998
  185   HD11  LEU  24          HD11      LEU  24  -1.931  -0.255  -4.270
  186   HD12  LEU  24          HD12      LEU  24  -0.902   1.018  -4.926
  187   HD13  LEU  24          HD13      LEU  24  -2.362   1.437  -4.031
  188   HD21  LEU  24          HD21      LEU  24   0.769  -0.422  -1.864
  189   HD22  LEU  24          HD22      LEU  24   1.132   0.020  -3.530
  190   HD23  LEU  24          HD23      LEU  24  -0.059  -1.235  -3.189
  191    H    ALA  25           HN       ALA  25   0.449   4.796  -0.981
  192    HA   ALA  25           HA       ALA  25   2.610   5.790  -2.439
  193    HB1  ALA  25           HB1      ALA  25   2.266   7.879  -1.234
  194    HB2  ALA  25           HB2      ALA  25   1.266   7.039  -0.047
  195    HB3  ALA  25           HB3      ALA  25   0.725   7.173  -1.720
  196    H    LYS  26           HN       LYS  26   2.347   4.928   0.986
  197    HA   LYS  26           HA       LYS  26   4.967   5.679   1.716
  198    HB2  LYS  26           HB2      LYS  26   3.151   3.575   2.903
  199    HB3  LYS  26           HB1      LYS  26   4.653   4.114   3.634
  200    HG2  LYS  26           HG2      LYS  26   3.605   6.453   3.589
  201    HG3  LYS  26           HG1      LYS  26   2.082   5.611   3.298
  202    HD2  LYS  26           HD2      LYS  26   3.934   5.195   5.648
  203    HD3  LYS  26           HD1      LYS  26   2.386   6.040   5.679
  204    HE2  LYS  26           HE2      LYS  26   2.645   3.164   4.841
  205    HE3  LYS  26           HE1      LYS  26   2.403   3.641   6.519
  206    HZ1  LYS  26           HZ1      LYS  26   0.316   4.528   6.031
  207    HZ2  LYS  26           HZ2      LYS  26   0.355   3.058   5.185
  208    HZ3  LYS  26           HZ3      LYS  26   0.587   4.523   4.364
  209    HA   4PH  27           HA       4PH  27   5.922   1.091   0.801
  210    HB2  4PH  27           HB1      4PH  27   3.400   0.786  -0.820
  211    HB3  4PH  27           HB2      4PH  27   3.878  -0.098   0.621
  212    HD2  4PH  27           HD2      4PH  27   3.537  -0.302  -2.816
  213    HD1  4PH  27           HD1      4PH  27   6.189  -1.443   0.312
  214    HE2  4PH  27           HE2      4PH  27   4.457  -2.068  -4.248
  215    HE1  4PH  27           HE1      4PH  27   7.113  -3.218  -1.120
  216    H33  4PH  27           H33      4PH  27   5.627  -4.074  -4.278
  217   H33A  4PH  27          H33A      4PH  27   7.221  -3.334  -4.135
  218   H33B  4PH  27          H33B      4PH  27   6.704  -4.561  -2.973
  219    H    4PH  27           HN       4PH  27   3.572   2.629   0.615
  220    H    GLN  28           HN       GLN  28   4.531   2.932  -1.893
  221    HA   GLN  28           HA       GLN  28   6.335   2.124  -3.868
  222    HB2  GLN  28           HB2      GLN  28   4.711   4.637  -3.540
  223    HB3  GLN  28           HB1      GLN  28   5.736   4.360  -4.944
  224    HG2  GLN  28           HG2      GLN  28   3.480   2.557  -4.067
  225    HG3  GLN  28           HG1      GLN  28   3.379   3.772  -5.339
  226   HE21  GLN  28          HE21      GLN  28   4.567   0.656  -4.451
  227   HE22  GLN  28          HE22      GLN  28   5.122   0.182  -6.014
  228    H    LYS  29           HN       LYS  29   6.556   4.762  -1.522
  229    HA   LYS  29           HA       LYS  29   8.992   5.758  -2.654
  230    HB2  LYS  29           HB2      LYS  29   7.469   7.255  -1.448
  231    HB3  LYS  29           HB1      LYS  29   7.728   6.341   0.032
  232    HG2  LYS  29           HG2      LYS  29   9.034   8.395   0.018
  233    HG3  LYS  29           HG1      LYS  29  10.080   6.974   0.027
  234    HD2  LYS  29           HD2      LYS  29  10.264   7.211  -2.466
  235    HD3  LYS  29           HD1      LYS  29   9.417   8.751  -2.316
  236    HE2  LYS  29           HE2      LYS  29  12.013   8.049  -0.956
  237    HE3  LYS  29           HE1      LYS  29  11.868   9.006  -2.426
  238    HZ1  LYS  29           HZ1      LYS  29  12.117  10.410  -0.493
  239    HZ2  LYS  29           HZ2      LYS  29  10.752   9.726   0.228
  240    HZ3  LYS  29           HZ3      LYS  29  10.591  10.640  -1.184
  241    H    ASP  30           HN       ASP  30   8.141   3.759   0.147
  242    HA   ASP  30           HA       ASP  30  10.777   3.628   1.177
  243    HB2  ASP  30           HB2      ASP  30   8.654   3.125   2.457
  244    HB3  ASP  30           HB1      ASP  30   8.612   1.572   1.627
  245    H    LEU  31           HN       LEU  31   9.009   1.698  -1.157
  246    HA   LEU  31           HA       LEU  31  10.857  -0.422  -1.391
  247    HB2  LEU  31           HB2      LEU  31   8.443  -0.173  -2.325
  248    HB3  LEU  31           HB1      LEU  31   9.208   0.637  -3.673
  249    HG   LEU  31           HG       LEU  31   8.657  -1.771  -4.058
  250   HD11  LEU  31          HD11      LEU  31  10.788  -2.352  -5.106
  251   HD12  LEU  31          HD12      LEU  31  11.571  -1.037  -4.228
  252   HD13  LEU  31          HD13      LEU  31  10.330  -0.679  -5.428
  253   HD21  LEU  31          HD21      LEU  31   9.956  -3.486  -3.025
  254   HD22  LEU  31          HD22      LEU  31   9.226  -2.498  -1.755
  255   HD23  LEU  31          HD23      LEU  31  10.931  -2.297  -2.163
  256    H    ALA  32           HN       ALA  32  10.573   2.703  -2.983
  257    HA   ALA  32           HA       ALA  32  12.734   2.397  -4.767
  258    HB1  ALA  32           HB1      ALA  32  12.613   4.832  -4.998
  259    HB2  ALA  32           HB2      ALA  32  11.539   4.907  -3.601
  260    HB3  ALA  32           HB3      ALA  32  11.014   4.094  -5.074
  261    H    ASP  33           HN       ASP  33  12.457   3.790  -1.540
  262    HA   ASP  33           HA       ASP  33  15.122   4.663  -1.271
  263    HB2  ASP  33           HB2      ASP  33  13.346   5.459   0.204
  264    HB3  ASP  33           HB1      ASP  33  13.121   3.836   0.842
  265    HA   4PH  34           HA       4PH  34  15.623   0.339   0.825
  266    HB2  4PH  34           HB1      4PH  34  13.518  -0.863  -0.986
  267    HB3  4PH  34           HB2      4PH  34  13.327  -0.529   0.729
  268    HD2  4PH  34           HD2      4PH  34  15.089  -1.681   2.288
  269    HD1  4PH  34           HD1      4PH  34  14.102  -3.001  -1.634
  270    HE2  4PH  34           HE2      4PH  34  15.906  -3.935   2.842
  271    HE1  4PH  34           HE1      4PH  34  14.915  -5.253  -1.091
  272    H33  4PH  34           H33      4PH  34  16.288  -6.482   0.329
  273   H33A  4PH  34          H33A      4PH  34  16.690  -5.945   1.961
  274   H33B  4PH  34          H33B      4PH  34  15.082  -6.587   1.608
  275    H    4PH  34           HN       4PH  34  13.551   1.605  -0.547
  276    HN1  NH2  35           HN1      NH2  35  17.529  -0.381   0.211
  277    HN2  NH2  35           HN2      NH2  35  18.045  -0.662  -1.413
  Start of MODEL   12
    1    H1   ACE   0           HA1      ACE   0  15.066  -2.813   3.469
    2    H2   ACE   0           HA2      ACE   0  14.651  -1.503   4.571
    3    H3   ACE   0           HA3      ACE   0  13.611  -1.809   3.184
    4    HA   PRO   1           HA       PRO   1  12.999  -4.351   2.209
    5    HB2  PRO   1           HB2      PRO   1  11.882  -6.855   3.353
    6    HB3  PRO   1           HB1      PRO   1  12.949  -6.635   1.954
    7    HG2  PRO   1           HG2      PRO   1  13.858  -7.672   4.221
    8    HG3  PRO   1           HG1      PRO   1  14.854  -6.586   3.226
    9    HD2  PRO   1           HD2      PRO   1  13.383  -5.995   5.764
   10    HD3  PRO   1           HD1      PRO   1  14.978  -5.429   5.221
   11    HA   PRO   2           HA       PRO   2   8.905  -2.866   3.384
   12    HB2  PRO   2           HB2      PRO   2   8.245  -1.892   0.920
   13    HB3  PRO   2           HB1      PRO   2   9.305  -1.022   2.047
   14    HG2  PRO   2           HG2      PRO   2  10.003  -2.626  -0.349
   15    HG3  PRO   2           HG1      PRO   2  10.728  -1.130   0.273
   16    HD2  PRO   2           HD2      PRO   2  11.822  -3.623   0.617
   17    HD3  PRO   2           HD1      PRO   2  12.122  -2.247   1.697
   18    H    THR   3           HN       THR   3   7.239  -4.220   3.573
   19    HA   THR   3           HA       THR   3   6.941  -6.437   1.767
   20    HB   THR   3           HB       THR   3   4.923  -6.885   3.360
   21    HG1  THR   3           HG1      THR   3   4.867  -5.719   5.174
   22   HG21  THR   3          HG21      THR   3   7.772  -7.006   4.349
   23   HG22  THR   3          HG22      THR   3   6.982  -8.200   3.322
   24   HG23  THR   3          HG23      THR   3   6.421  -7.949   4.974
   25    H    LYS   4           HN       LYS   4   5.473  -6.667   0.209
   26    HA   LYS   4           HA       LYS   4   3.976  -4.373  -0.609
   27    HB2  LYS   4           HB2      LYS   4   3.359  -5.653  -2.561
   28    HB3  LYS   4           HB1      LYS   4   5.062  -5.928  -2.228
   29    HG2  LYS   4           HG2      LYS   4   4.523  -8.069  -1.206
   30    HG3  LYS   4           HG1      LYS   4   2.810  -7.786  -1.519
   31    HD2  LYS   4           HD2      LYS   4   3.248  -7.747  -3.917
   32    HD3  LYS   4           HD1      LYS   4   4.969  -7.990  -3.616
   33    HE2  LYS   4           HE2      LYS   4   3.836 -10.074  -4.251
   34    HE3  LYS   4           HE1      LYS   4   4.526 -10.157  -2.632
   35    HZ1  LYS   4           HZ1      LYS   4   2.327  -9.725  -1.721
   36    HZ2  LYS   4           HZ2      LYS   4   2.320 -11.109  -2.686
   37    HZ3  LYS   4           HZ3      LYS   4   1.667  -9.665  -3.278
   38    HA   PRO   5           HA       PRO   5   0.159  -5.467   1.444
   39    HB2  PRO   5           HB2      PRO   5  -1.397  -3.585   0.270
   40    HB3  PRO   5           HB1      PRO   5  -0.227  -3.188   1.539
   41    HG2  PRO   5           HG2      PRO   5   0.017  -2.864  -1.408
   42    HG3  PRO   5           HG1      PRO   5   0.515  -1.770  -0.105
   43    HD2  PRO   5           HD2      PRO   5   2.241  -3.400  -1.420
   44    HD3  PRO   5           HD1      PRO   5   2.475  -2.885   0.266
   45    H    THR   6           HN       THR   6  -1.970  -6.237   0.869
   46    HA   THR   6           HA       THR   6  -2.027  -7.507  -1.763
   47    HB   THR   6           HB       THR   6  -2.421  -8.885   0.290
   48    HG1  THR   6           HG1      THR   6  -3.366 -10.041  -1.189
   49   HG21  THR   6          HG21      THR   6  -5.014  -7.349   0.406
   50   HG22  THR   6          HG22      THR   6  -3.712  -7.276   1.593
   51   HG23  THR   6          HG23      THR   6  -4.617  -8.773   1.369
   52    H    LYS   7           HN       LYS   7  -4.001  -7.497  -3.004
   53    HA   LYS   7           HA       LYS   7  -5.037  -4.878  -3.326
   54    HB2  LYS   7           HB2      LYS   7  -5.885  -7.501  -4.556
   55    HB3  LYS   7           HB1      LYS   7  -6.521  -5.935  -5.038
   56    HG2  LYS   7           HG2      LYS   7  -3.635  -6.768  -5.206
   57    HG3  LYS   7           HG1      LYS   7  -4.772  -6.732  -6.553
   58    HD2  LYS   7           HD2      LYS   7  -5.070  -4.299  -6.173
   59    HD3  LYS   7           HD1      LYS   7  -3.838  -4.378  -4.914
   60    HE2  LYS   7           HE2      LYS   7  -3.421  -5.091  -7.810
   61    HE3  LYS   7           HE1      LYS   7  -2.938  -3.576  -7.052
   62    HZ1  LYS   7           HZ1      LYS   7  -1.427  -4.772  -5.635
   63    HZ2  LYS   7           HZ2      LYS   7  -1.108  -5.168  -7.244
   64    HZ3  LYS   7           HZ3      LYS   7  -1.941  -6.258  -6.260
   65    HA   PRO   8           HA       PRO   8  -8.353  -4.903  -0.382
   66    HB2  PRO   8           HB2      PRO   8  -9.614  -3.017  -2.301
   67    HB3  PRO   8           HB1      PRO   8  -9.248  -2.799  -0.577
   68    HG2  PRO   8           HG2      PRO   8  -7.827  -1.582  -2.461
   69    HG3  PRO   8           HG1      PRO   8  -7.069  -2.191  -0.976
   70    HD2  PRO   8           HD2      PRO   8  -7.011  -3.331  -3.733
   71    HD3  PRO   8           HD1      PRO   8  -5.746  -3.310  -2.483
   72    H    GLY   9           HN       GLY   9  -9.798  -6.462  -0.240
   73    HA2  GLY   9           HA2      GLY   9 -11.353  -7.216  -2.617
   74    HA3  GLY   9           HA1      GLY   9 -11.153  -8.196  -1.172
   75    H    ASP  10           HN       ASP  10 -12.105  -7.235   0.854
   76    HA   ASP  10           HA       ASP  10 -14.787  -6.258   0.248
   77    HB2  ASP  10           HB2      ASP  10 -13.558  -7.231   2.837
   78    HB3  ASP  10           HB1      ASP  10 -15.221  -6.689   2.669
   79    H    ASN  11           HN       ASN  11 -11.782  -5.183   1.457
   80    HA   ASN  11           HA       ASN  11 -12.838  -2.787   2.694
   81    HB2  ASN  11           HB2      ASN  11 -10.467  -2.231   3.130
   82    HB3  ASN  11           HB1      ASN  11 -10.899  -3.823   3.736
   83   HD21  ASN  11          HD21      ASN  11  -8.293  -2.663   3.008
   84   HD22  ASN  11          HD22      ASN  11  -7.615  -3.746   1.851
   85    H    ALA  12           HN       ALA  12 -12.804  -3.571  -0.324
   86    HA   ALA  12           HA       ALA  12 -11.281  -1.468  -1.548
   87    HB1  ALA  12           HB1      ALA  12 -12.109  -2.335  -3.632
   88    HB2  ALA  12           HB2      ALA  12 -13.324  -3.296  -2.787
   89    HB3  ALA  12           HB3      ALA  12 -11.613  -3.679  -2.601
   90    H    THR  13           HN       THR  13 -13.516  -0.804   0.339
   91    HA   THR  13           HA       THR  13 -15.591   0.425  -1.182
   92    HB   THR  13           HB       THR  13 -16.056   1.637   0.983
   93    HG1  THR  13           HG1      THR  13 -14.805   1.199   2.732
   94   HG21  THR  13          HG21      THR  13 -15.796  -1.364   1.166
   95   HG22  THR  13          HG22      THR  13 -17.131  -0.497   0.409
   96   HG23  THR  13          HG23      THR  13 -16.854  -0.349   2.144
   97    HA   PRO  14           HA       PRO  14 -13.778   4.014  -2.910
   98    HB2  PRO  14           HB2      PRO  14 -15.909   5.503  -1.422
   99    HB3  PRO  14           HB1      PRO  14 -15.438   5.621  -3.127
  100    HG2  PRO  14           HG2      PRO  14 -17.619   4.294  -2.363
  101    HG3  PRO  14           HG1      PRO  14 -16.626   3.774  -3.743
  102    HD2  PRO  14           HD2      PRO  14 -16.929   2.526  -1.089
  103    HD3  PRO  14           HD1      PRO  14 -16.372   1.815  -2.612
  104    H    GLU  15           HN       GLU  15 -14.703   4.326   0.517
  105    HA   GLU  15           HA       GLU  15 -12.932   6.540   0.944
  106    HB2  GLU  15           HB2      GLU  15 -14.566   4.832   2.800
  107    HB3  GLU  15           HB1      GLU  15 -13.476   6.074   3.397
  108    HG2  GLU  15           HG2      GLU  15 -14.705   7.759   2.130
  109    HG3  GLU  15           HG1      GLU  15 -15.794   6.511   1.534
  110    H    LYS  16           HN       LYS  16 -12.807   3.080   1.746
  111    HA   LYS  16           HA       LYS  16 -10.280   3.441   3.093
  112    HB2  LYS  16           HB2      LYS  16 -11.991   1.816   3.913
  113    HB3  LYS  16           HB1      LYS  16 -11.711   0.852   2.463
  114    HG2  LYS  16           HG2      LYS  16  -9.494   0.349   3.118
  115    HG3  LYS  16           HG1      LYS  16  -9.524   1.556   4.403
  116    HD2  LYS  16           HD2      LYS  16 -11.197   0.254   5.603
  117    HD3  LYS  16           HD1      LYS  16 -11.213  -0.944   4.309
  118    HE2  LYS  16           HE2      LYS  16  -8.836  -1.401   4.726
  119    HE3  LYS  16           HE1      LYS  16  -8.848  -0.227   6.039
  120    HZ1  LYS  16           HZ1      LYS  16 -10.547  -1.615   7.136
  121    HZ2  LYS  16           HZ2      LYS  16  -9.073  -2.412   6.934
  122    HZ3  LYS  16           HZ3      LYS  16 -10.370  -2.771   5.915
  123    H    LEU  17           HN       LEU  17 -11.418   2.585  -0.037
  124    HA   LEU  17           HA       LEU  17  -9.115   1.373  -1.101
  125    HB2  LEU  17           HB2      LEU  17 -11.317   1.496  -2.236
  126    HB3  LEU  17           HB1      LEU  17 -11.084   3.219  -2.461
  127    HG   LEU  17           HG       LEU  17  -9.147   2.753  -3.915
  128   HD11  LEU  17          HD11      LEU  17  -9.945  -0.125  -3.506
  129   HD12  LEU  17          HD12      LEU  17  -8.445   0.633  -2.977
  130   HD13  LEU  17          HD13      LEU  17  -8.780   0.453  -4.697
  131   HD21  LEU  17          HD21      LEU  17 -10.441   1.866  -5.798
  132   HD22  LEU  17          HD22      LEU  17 -11.358   3.060  -4.878
  133   HD23  LEU  17          HD23      LEU  17 -11.696   1.341  -4.676
  134    H    ALA  18           HN       ALA  18 -10.014   4.686  -0.498
  135    HA   ALA  18           HA       ALA  18  -7.782   5.906  -1.762
  136    HB1  ALA  18           HB1      ALA  18  -8.463   7.907  -0.506
  137    HB2  ALA  18           HB2      ALA  18  -9.614   6.924   0.403
  138    HB3  ALA  18           HB3      ALA  18  -9.822   7.146  -1.333
  139    H    LYS  19           HN       LYS  19  -8.486   4.781   1.500
  140    HA   LYS  19           HA       LYS  19  -6.104   5.651   2.726
  141    HB2  LYS  19           HB2      LYS  19  -8.022   4.882   4.038
  142    HB3  LYS  19           HB1      LYS  19  -7.850   3.263   3.373
  143    HG2  LYS  19           HG2      LYS  19  -5.671   3.041   4.447
  144    HG3  LYS  19           HG1      LYS  19  -5.833   4.666   5.115
  145    HD2  LYS  19           HD2      LYS  19  -7.697   2.361   5.685
  146    HD3  LYS  19           HD1      LYS  19  -6.398   2.900   6.747
  147    HE2  LYS  19           HE2      LYS  19  -8.800   4.518   5.903
  148    HE3  LYS  19           HE1      LYS  19  -8.543   3.785   7.484
  149    HZ1  LYS  19           HZ1      LYS  19  -6.581   5.204   7.749
  150    HZ2  LYS  19           HZ2      LYS  19  -7.992   6.107   7.555
  151    HZ3  LYS  19           HZ3      LYS  19  -6.912   5.945   6.269
  152    HA   4PH  20           HA       4PH  20  -4.569   1.334   1.301
  153    HB2  4PH  20           HB1      4PH  20  -6.491   1.317  -1.036
  154    HB3  4PH  20           HB2      4PH  20  -6.567   0.275   0.378
  155    HD2  4PH  20           HD2      4PH  20  -5.434   0.566  -2.936
  156    HD1  4PH  20           HD1      4PH  20  -4.487  -1.220   0.803
  157    HE2  4PH  20           HE2      4PH  20  -4.031  -1.090  -4.092
  158    HE1  4PH  20           HE1      4PH  20  -3.091  -2.884  -0.341
  159    H33  4PH  20           H33      4PH  20  -3.238  -3.877  -3.196
  160   H33A  4PH  20          H33A      4PH  20  -2.240  -2.565  -3.820
  161   H33B  4PH  20          H33B      4PH  20  -1.864  -3.307  -2.261
  162    H    4PH  20           HN       4PH  20  -6.964   2.741   0.940
  163    H    GLN  21           HN       GLN  21  -5.545   3.636  -1.244
  164    HA   GLN  21           HA       GLN  21  -3.143   3.561  -2.694
  165    HB2  GLN  21           HB2      GLN  21  -5.172   5.775  -2.376
  166    HB3  GLN  21           HB1      GLN  21  -3.832   5.839  -3.512
  167    HG2  GLN  21           HG2      GLN  21  -5.950   3.705  -3.501
  168    HG3  GLN  21           HG1      GLN  21  -5.986   5.145  -4.519
  169   HE21  GLN  21          HE21      GLN  21  -4.399   2.098  -3.918
  170   HE22  GLN  21          HE22      GLN  21  -3.569   2.012  -5.427
  171    H    ALA  22           HN       ALA  22  -4.081   5.381   0.151
  172    HA   ALA  22           HA       ALA  22  -1.813   7.066   0.266
  173    HB1  ALA  22           HB1      ALA  22  -3.888   7.526   1.479
  174    HB2  ALA  22           HB2      ALA  22  -2.497   7.497   2.561
  175    HB3  ALA  22           HB3      ALA  22  -3.598   6.120   2.501
  176    H    ASP  23           HN       ASP  23  -2.557   3.891   1.588
  177    HA   ASP  23           HA       ASP  23  -0.173   3.598   3.100
  178    HB2  ASP  23           HB2      ASP  23  -2.127   2.203   3.549
  179    HB3  ASP  23           HB1      ASP  23  -2.025   1.495   1.939
  180    H    LEU  24           HN       LEU  24  -1.042   2.796  -0.225
  181    HA   LEU  24           HA       LEU  24   1.310   1.424  -0.915
  182    HB2  LEU  24           HB2      LEU  24  -0.801   2.858  -2.453
  183    HB3  LEU  24           HB1      LEU  24   0.692   2.454  -3.278
  184    HG   LEU  24           HG       LEU  24  -1.238   0.813  -3.519
  185   HD11  LEU  24          HD11      LEU  24   0.236  -1.135  -3.401
  186   HD12  LEU  24          HD12      LEU  24   1.398  -0.199  -2.458
  187   HD13  LEU  24          HD13      LEU  24   1.052   0.250  -4.128
  188   HD21  LEU  24          HD21      LEU  24  -1.955   0.816  -1.187
  189   HD22  LEU  24          HD22      LEU  24  -0.410   0.112  -0.708
  190   HD23  LEU  24          HD23      LEU  24  -1.520  -0.807  -1.725
  191    H    ALA  25           HN       ALA  25   0.598   4.828  -0.645
  192    HA   ALA  25           HA       ALA  25   2.839   5.827  -2.028
  193    HB1  ALA  25           HB1      ALA  25   0.934   7.223  -1.390
  194    HB2  ALA  25           HB2      ALA  25   2.456   7.896  -0.802
  195    HB3  ALA  25           HB3      ALA  25   1.377   7.047   0.307
  196    H    LYS  26           HN       LYS  26   2.432   4.555   1.207
  197    HA   LYS  26           HA       LYS  26   5.040   5.345   2.104
  198    HB2  LYS  26           HB2      LYS  26   2.957   3.457   3.179
  199    HB3  LYS  26           HB1      LYS  26   4.555   3.565   3.905
  200    HG2  LYS  26           HG2      LYS  26   4.177   5.990   4.253
  201    HG3  LYS  26           HG1      LYS  26   2.534   5.779   3.646
  202    HD2  LYS  26           HD2      LYS  26   1.961   4.352   5.458
  203    HD3  LYS  26           HD1      LYS  26   3.644   4.224   5.972
  204    HE2  LYS  26           HE2      LYS  26   1.947   6.719   6.036
  205    HE3  LYS  26           HE1      LYS  26   2.396   5.733   7.426
  206    HZ1  LYS  26           HZ1      LYS  26   4.248   7.275   5.692
  207    HZ2  LYS  26           HZ2      LYS  26   4.736   6.251   6.943
  208    HZ3  LYS  26           HZ3      LYS  26   3.833   7.635   7.290
  209    HA   4PH  27           HA       4PH  27   5.836   0.737   1.039
  210    HB2  4PH  27           HB1      4PH  27   3.395   0.672  -0.736
  211    HB3  4PH  27           HB2      4PH  27   3.731  -0.316   0.678
  212    HD2  4PH  27           HD2      4PH  27   3.716  -0.228  -2.821
  213    HD1  4PH  27           HD1      4PH  27   5.856  -1.855   0.473
  214    HE2  4PH  27           HE2      4PH  27   4.644  -1.962  -4.290
  215    HE1  4PH  27           HE1      4PH  27   6.793  -3.598  -0.991
  216    H33  4PH  27           H33      4PH  27   7.237  -3.489  -3.992
  217   H33A  4PH  27          H33A      4PH  27   6.510  -4.752  -2.999
  218   H33B  4PH  27          H33B      4PH  27   5.615  -4.065  -4.360
  219    H    4PH  27           HN       4PH  27   3.574   2.386   0.870
  220    H    GLN  28           HN       GLN  28   4.628   2.733  -1.648
  221    HA   GLN  28           HA       GLN  28   6.653   1.988  -3.475
  222    HB2  GLN  28           HB2      GLN  28   4.850   4.406  -3.357
  223    HB3  GLN  28           HB1      GLN  28   5.960   4.095  -4.686
  224    HG2  GLN  28           HG2      GLN  28   3.707   2.289  -3.825
  225    HG3  GLN  28           HG1      GLN  28   3.680   3.383  -5.202
  226   HE21  GLN  28          HE21      GLN  28   3.340   0.513  -5.163
  227   HE22  GLN  28          HE22      GLN  28   4.575  -0.143  -6.172
  228    H    LYS  29           HN       LYS  29   6.451   4.484  -1.035
  229    HA   LYS  29           HA       LYS  29   8.628   6.056  -1.858
  230    HB2  LYS  29           HB2      LYS  29   6.996   6.846  -0.227
  231    HB3  LYS  29           HB1      LYS  29   7.498   5.607   0.910
  232    HG2  LYS  29           HG2      LYS  29   9.699   6.632   1.079
  233    HG3  LYS  29           HG1      LYS  29   9.221   7.863  -0.089
  234    HD2  LYS  29           HD2      LYS  29   7.585   7.468   2.376
  235    HD3  LYS  29           HD1      LYS  29   9.109   8.346   2.485
  236    HE2  LYS  29           HE2      LYS  29   7.303   9.909   2.164
  237    HE3  LYS  29           HE1      LYS  29   8.316   9.881   0.723
  238    HZ1  LYS  29           HZ1      LYS  29   6.688   8.495  -0.369
  239    HZ2  LYS  29           HZ2      LYS  29   5.953   9.903   0.194
  240    HZ3  LYS  29           HZ3      LYS  29   5.733   8.449   1.024
  241    H    ASP  30           HN       ASP  30   8.457   3.394   0.511
  242    HA   ASP  30           HA       ASP  30  11.274   3.505   1.027
  243    HB2  ASP  30           HB2      ASP  30   9.566   2.649   2.675
  244    HB3  ASP  30           HB1      ASP  30   9.403   1.211   1.670
  245    H    LEU  31           HN       LEU  31   9.202   1.746  -1.154
  246    HA   LEU  31           HA       LEU  31  11.009  -0.198  -2.068
  247    HB2  LEU  31           HB2      LEU  31   8.568  -0.125  -2.568
  248    HB3  LEU  31           HB1      LEU  31   8.866   1.227  -3.643
  249    HG   LEU  31           HG       LEU  31  10.327  -0.259  -5.017
  250   HD11  LEU  31          HD11      LEU  31   9.231  -2.358  -3.158
  251   HD12  LEU  31          HD12      LEU  31  10.923  -1.902  -3.367
  252   HD13  LEU  31          HD13      LEU  31  10.053  -2.696  -4.682
  253   HD21  LEU  31          HD21      LEU  31   8.018   0.187  -5.644
  254   HD22  LEU  31          HD22      LEU  31   7.473  -1.150  -4.631
  255   HD23  LEU  31          HD23      LEU  31   8.471  -1.468  -6.050
  256    H    ALA  32           HN       ALA  32  10.489   3.151  -3.024
  257    HA   ALA  32           HA       ALA  32  12.182   3.168  -5.272
  258    HB1  ALA  32           HB1      ALA  32  11.418   5.451  -3.465
  259    HB2  ALA  32           HB2      ALA  32  10.486   4.878  -4.848
  260    HB3  ALA  32           HB3      ALA  32  12.082   5.592  -5.094
  261    H    ASP  33           HN       ASP  33  12.785   3.545  -1.862
  262    HA   ASP  33           HA       ASP  33  15.520   4.401  -2.248
  263    HB2  ASP  33           HB2      ASP  33  14.322   5.264  -0.325
  264    HB3  ASP  33           HB1      ASP  33  13.985   3.632   0.241
  265    HA   4PH  34           HA       4PH  34  16.027  -0.137  -1.060
  266    HB2  4PH  34           HB1      4PH  34  13.498  -1.056  -2.437
  267    HB3  4PH  34           HB2      4PH  34  13.606  -0.727  -0.715
  268    HD2  4PH  34           HD2      4PH  34  13.728  -3.247  -3.116
  269    HD1  4PH  34           HD1      4PH  34  15.596  -1.994   0.496
  270    HE2  4PH  34           HE2      4PH  34  14.452  -5.557  -2.695
  271    HE1  4PH  34           HE1      4PH  34  16.322  -4.303   0.929
  272    H33  4PH  34           H33      4PH  34  15.080  -6.892  -0.043
  273   H33A  4PH  34          H33A      4PH  34  15.995  -6.890  -1.553
  274   H33B  4PH  34          H33B      4PH  34  16.759  -6.362  -0.049
  275    H    4PH  34           HN       4PH  34  13.821   1.447  -1.970
  276    HN1  NH2  35           HN1      NH2  35  17.514  -1.173  -2.245
  277    HN2  NH2  35           HN2      NH2  35  17.602  -1.157  -3.971
  Start of MODEL   13
    1    H1   ACE   0           HA1      ACE   0  14.579  -3.551   6.220
    2    H2   ACE   0           HA2      ACE   0  13.434  -2.461   6.996
    3    H3   ACE   0           HA3      ACE   0  13.171  -2.916   5.315
    4    HA   PRO   1           HA       PRO   1  12.806  -4.855   3.931
    5    HB2  PRO   1           HB2      PRO   1  11.562  -7.318   3.566
    6    HB3  PRO   1           HB1      PRO   1  13.313  -7.040   3.461
    7    HG2  PRO   1           HG2      PRO   1  11.705  -8.121   5.716
    8    HG3  PRO   1           HG1      PRO   1  13.316  -8.597   5.137
    9    HD2  PRO   1           HD2      PRO   1  13.013  -7.082   7.333
   10    HD3  PRO   1           HD1      PRO   1  14.376  -6.841   6.217
   11    HA   PRO   2           HA       PRO   2   8.575  -3.487   4.596
   12    HB2  PRO   2           HB2      PRO   2   8.331  -2.156   2.214
   13    HB3  PRO   2           HB1      PRO   2   9.168  -1.475   3.625
   14    HG2  PRO   2           HG2      PRO   2  10.299  -2.742   1.190
   15    HG3  PRO   2           HG1      PRO   2  10.881  -1.347   2.121
   16    HD2  PRO   2           HD2      PRO   2  11.961  -3.846   2.325
   17    HD3  PRO   2           HD1      PRO   2  11.981  -2.661   3.645
   18    H    THR   3           HN       THR   3   6.988  -4.928   4.369
   19    HA   THR   3           HA       THR   3   6.859  -6.642   2.037
   20    HB   THR   3           HB       THR   3   4.783  -7.514   3.358
   21    HG1  THR   3           HG1      THR   3   5.145  -7.111   5.668
   22   HG21  THR   3          HG21      THR   3   6.856  -8.770   3.085
   23   HG22  THR   3          HG22      THR   3   6.235  -8.944   4.726
   24   HG23  THR   3          HG23      THR   3   7.593  -7.866   4.407
   25    H    LYS   4           HN       LYS   4   5.020  -6.829   0.708
   26    HA   LYS   4           HA       LYS   4   3.708  -4.291   0.261
   27    HB2  LYS   4           HB2      LYS   4   2.916  -5.249  -1.823
   28    HB3  LYS   4           HB1      LYS   4   4.632  -5.585  -1.639
   29    HG2  LYS   4           HG2      LYS   4   4.170  -7.848  -0.986
   30    HG3  LYS   4           HG1      LYS   4   2.434  -7.528  -1.005
   31    HD2  LYS   4           HD2      LYS   4   3.077  -8.691  -3.032
   32    HD3  LYS   4           HD1      LYS   4   2.588  -7.042  -3.423
   33    HE2  LYS   4           HE2      LYS   4   4.947  -6.375  -3.500
   34    HE3  LYS   4           HE1      LYS   4   5.419  -8.031  -3.131
   35    HZ1  LYS   4           HZ1      LYS   4   3.919  -7.161  -5.537
   36    HZ2  LYS   4           HZ2      LYS   4   4.394  -8.745  -5.191
   37    HZ3  LYS   4           HZ3      LYS   4   5.562  -7.561  -5.495
   38    HA   PRO   5           HA       PRO   5  -0.122  -5.423   2.206
   39    HB2  PRO   5           HB2      PRO   5  -1.750  -3.636   0.967
   40    HB3  PRO   5           HB1      PRO   5  -0.591  -3.156   2.221
   41    HG2  PRO   5           HG2      PRO   5  -0.353  -2.946  -0.741
   42    HG3  PRO   5           HG1      PRO   5   0.096  -1.775   0.516
   43    HD2  PRO   5           HD2      PRO   5   1.901  -3.375  -0.715
   44    HD3  PRO   5           HD1      PRO   5   2.090  -2.824   0.966
   45    H    THR   6           HN       THR   6  -2.138  -6.387   1.733
   46    HA   THR   6           HA       THR   6  -2.245  -7.823  -0.768
   47    HB   THR   6           HB       THR   6  -2.851  -8.973   1.309
   48    HG1  THR   6           HG1      THR   6  -3.903  -9.561  -0.706
   49   HG21  THR   6          HG21      THR   6  -3.790  -7.118   2.562
   50   HG22  THR   6          HG22      THR   6  -4.954  -8.438   2.468
   51   HG23  THR   6          HG23      THR   6  -5.143  -7.020   1.437
   52    H    LYS   7           HN       LYS   7  -4.019  -7.765  -2.214
   53    HA   LYS   7           HA       LYS   7  -4.937  -5.116  -2.773
   54    HB2  LYS   7           HB2      LYS   7  -5.427  -7.795  -4.057
   55    HB3  LYS   7           HB1      LYS   7  -6.306  -6.369  -4.575
   56    HG2  LYS   7           HG2      LYS   7  -4.469  -6.733  -6.056
   57    HG3  LYS   7           HG1      LYS   7  -4.144  -5.283  -5.112
   58    HD2  LYS   7           HD2      LYS   7  -2.644  -6.537  -3.665
   59    HD3  LYS   7           HD1      LYS   7  -3.025  -8.027  -4.539
   60    HE2  LYS   7           HE2      LYS   7  -0.891  -7.110  -5.271
   61    HE3  LYS   7           HE1      LYS   7  -2.071  -7.078  -6.577
   62    HZ1  LYS   7           HZ1      LYS   7  -1.277  -4.772  -4.884
   63    HZ2  LYS   7           HZ2      LYS   7  -2.456  -4.728  -6.096
   64    HZ3  LYS   7           HZ3      LYS   7  -0.844  -5.024  -6.497
   65    HA   PRO   8           HA       PRO   8  -8.639  -5.276  -0.242
   66    HB2  PRO   8           HB2      PRO   8  -9.433  -3.085  -2.097
   67    HB3  PRO   8           HB1      PRO   8  -9.400  -3.106  -0.320
   68    HG2  PRO   8           HG2      PRO   8  -7.582  -1.760  -1.694
   69    HG3  PRO   8           HG1      PRO   8  -7.140  -2.649  -0.221
   70    HD2  PRO   8           HD2      PRO   8  -6.679  -3.386  -3.083
   71    HD3  PRO   8           HD1      PRO   8  -5.626  -3.621  -1.667
   72    H    GLY   9           HN       GLY   9 -10.228  -6.688  -0.547
   73    HA2  GLY   9           HA2      GLY   9 -11.166  -7.198  -3.288
   74    HA3  GLY   9           HA1      GLY   9 -11.332  -8.301  -1.930
   75    H    ASP  10           HN       ASP  10 -12.734  -7.487  -0.125
   76    HA   ASP  10           HA       ASP  10 -15.136  -6.254  -1.255
   77    HB2  ASP  10           HB2      ASP  10 -14.689  -7.727   1.349
   78    HB3  ASP  10           HB1      ASP  10 -16.216  -6.996   0.874
   79    H    ASN  11           HN       ASN  11 -12.482  -5.618   0.768
   80    HA   ASN  11           HA       ASN  11 -13.748  -3.371   2.094
   81    HB2  ASN  11           HB2      ASN  11 -11.644  -3.082   3.282
   82    HB3  ASN  11           HB1      ASN  11 -12.150  -4.763   3.362
   83   HD21  ASN  11          HD21      ASN  11  -9.505  -3.537   3.667
   84   HD22  ASN  11          HD22      ASN  11  -8.489  -4.328   2.520
   85    H    ALA  12           HN       ALA  12 -12.953  -3.721  -0.901
   86    HA   ALA  12           HA       ALA  12 -11.125  -1.574  -1.393
   87    HB1  ALA  12           HB1      ALA  12 -11.336  -3.526  -2.883
   88    HB2  ALA  12           HB2      ALA  12 -11.554  -1.993  -3.729
   89    HB3  ALA  12           HB3      ALA  12 -12.954  -2.985  -3.324
   90    H    THR  13           HN       THR  13 -13.686  -1.057   0.085
   91    HA   THR  13           HA       THR  13 -15.381   0.558  -1.479
   92    HB   THR  13           HB       THR  13 -15.946   1.596   0.790
   93    HG1  THR  13           HG1      THR  13 -14.740   1.043   2.439
   94   HG21  THR  13          HG21      THR  13 -16.147  -1.399   0.487
   95   HG22  THR  13          HG22      THR  13 -17.246  -0.214  -0.219
   96   HG23  THR  13          HG23      THR  13 -17.150  -0.394   1.532
   97    HA   PRO  14           HA       PRO  14 -13.145   4.163  -2.595
   98    HB2  PRO  14           HB2      PRO  14 -15.384   5.581  -1.187
   99    HB3  PRO  14           HB1      PRO  14 -14.678   5.903  -2.782
  100    HG2  PRO  14           HG2      PRO  14 -16.988   4.607  -2.518
  101    HG3  PRO  14           HG1      PRO  14 -15.822   4.213  -3.801
  102    HD2  PRO  14           HD2      PRO  14 -16.561   2.649  -1.415
  103    HD3  PRO  14           HD1      PRO  14 -15.794   2.114  -2.919
  104    H    GLU  15           HN       GLU  15 -14.461   4.195   0.727
  105    HA   GLU  15           HA       GLU  15 -12.705   6.188   1.693
  106    HB2  GLU  15           HB2      GLU  15 -14.273   4.033   3.093
  107    HB3  GLU  15           HB1      GLU  15 -13.292   5.201   3.964
  108    HG2  GLU  15           HG2      GLU  15 -14.637   7.015   3.100
  109    HG3  GLU  15           HG1      GLU  15 -15.574   5.881   2.130
  110    H    LYS  16           HN       LYS  16 -12.549   2.644   1.952
  111    HA   LYS  16           HA       LYS  16 -10.023   2.719   3.303
  112    HB2  LYS  16           HB2      LYS  16 -11.543   0.909   3.793
  113    HB3  LYS  16           HB1      LYS  16 -11.609   0.442   2.096
  114    HG2  LYS  16           HG2      LYS  16 -10.229  -1.104   3.318
  115    HG3  LYS  16           HG1      LYS  16  -9.230  -0.180   2.199
  116    HD2  LYS  16           HD2      LYS  16  -8.504   1.263   4.034
  117    HD3  LYS  16           HD1      LYS  16  -9.520   0.354   5.155
  118    HE2  LYS  16           HE2      LYS  16  -8.227  -1.669   4.681
  119    HE3  LYS  16           HE1      LYS  16  -7.216  -0.762   3.560
  120    HZ1  LYS  16           HZ1      LYS  16  -7.464  -0.182   6.462
  121    HZ2  LYS  16           HZ2      LYS  16  -6.421   0.578   5.370
  122    HZ3  LYS  16           HZ3      LYS  16  -6.198  -1.049   5.755
  123    H    LEU  17           HN       LEU  17 -11.133   2.298   0.018
  124    HA   LEU  17           HA       LEU  17  -8.718   1.356  -1.102
  125    HB2  LEU  17           HB2      LEU  17 -10.991   1.278  -2.156
  126    HB3  LEU  17           HB1      LEU  17 -10.854   3.000  -2.446
  127    HG   LEU  17           HG       LEU  17  -8.941   2.606  -3.930
  128   HD11  LEU  17          HD11      LEU  17  -8.387   0.302  -4.594
  129   HD12  LEU  17          HD12      LEU  17  -9.472  -0.304  -3.342
  130   HD13  LEU  17          HD13      LEU  17  -8.032   0.608  -2.896
  131   HD21  LEU  17          HD21      LEU  17 -10.180   1.534  -5.734
  132   HD22  LEU  17          HD22      LEU  17 -11.214   2.642  -4.830
  133   HD23  LEU  17          HD23      LEU  17 -11.342   0.902  -4.566
  134    H    ALA  18           HN       ALA  18  -9.947   4.531  -0.355
  135    HA   ALA  18           HA       ALA  18  -7.931   6.008  -1.709
  136    HB1  ALA  18           HB1      ALA  18  -8.766   7.910  -0.424
  137    HB2  ALA  18           HB2      ALA  18  -9.722   6.814   0.574
  138    HB3  ALA  18           HB3      ALA  18 -10.085   6.987  -1.142
  139    H    LYS  19           HN       LYS  19  -8.379   4.946   1.647
  140    HA   LYS  19           HA       LYS  19  -5.970   6.059   2.628
  141    HB2  LYS  19           HB2      LYS  19  -7.869   5.271   4.057
  142    HB3  LYS  19           HB1      LYS  19  -7.406   3.615   3.682
  143    HG2  LYS  19           HG2      LYS  19  -5.217   4.000   4.699
  144    HG3  LYS  19           HG1      LYS  19  -5.695   5.651   5.094
  145    HD2  LYS  19           HD2      LYS  19  -7.554   4.738   6.455
  146    HD3  LYS  19           HD1      LYS  19  -6.951   3.111   6.128
  147    HE2  LYS  19           HE2      LYS  19  -6.166   3.862   8.292
  148    HE3  LYS  19           HE1      LYS  19  -4.809   3.720   7.177
  149    HZ1  LYS  19           HZ1      LYS  19  -6.191   6.241   7.919
  150    HZ2  LYS  19           HZ2      LYS  19  -4.909   6.115   6.827
  151    HZ3  LYS  19           HZ3      LYS  19  -4.664   5.750   8.458
  152    HA   4PH  20           HA       4PH  20  -4.406   1.637   1.394
  153    HB2  4PH  20           HB1      4PH  20  -6.256   1.690  -1.000
  154    HB3  4PH  20           HB2      4PH  20  -6.483   0.698   0.430
  155    HD2  4PH  20           HD2      4PH  20  -5.077   0.860  -2.812
  156    HD1  4PH  20           HD1      4PH  20  -4.650  -0.996   0.988
  157    HE2  4PH  20           HE2      4PH  20  -3.790  -0.961  -3.850
  158    HE1  4PH  20           HE1      4PH  20  -3.367  -2.821  -0.036
  159    H33  4PH  20           H33      4PH  20  -2.926  -3.942  -2.032
  160   H33A  4PH  20          H33A      4PH  20  -3.085  -3.164  -3.611
  161   H33B  4PH  20          H33B      4PH  20  -1.718  -2.773  -2.559
  162    H    4PH  20           HN       4PH  20  -6.791   3.042   1.077
  163    H    GLN  21           HN       GLN  21  -5.364   3.998  -1.090
  164    HA   GLN  21           HA       GLN  21  -2.998   4.020  -2.567
  165    HB2  GLN  21           HB2      GLN  21  -5.019   6.192  -2.024
  166    HB3  GLN  21           HB1      GLN  21  -3.670   6.405  -3.132
  167    HG2  GLN  21           HG2      GLN  21  -5.759   4.259  -3.384
  168    HG3  GLN  21           HG1      GLN  21  -5.790   5.802  -4.244
  169   HE21  GLN  21          HE21      GLN  21  -4.243   2.701  -3.976
  170   HE22  GLN  21          HE22      GLN  21  -3.348   2.800  -5.447
  171    H    ALA  22           HN       ALA  22  -3.828   5.669   0.422
  172    HA   ALA  22           HA       ALA  22  -1.581   7.396   0.487
  173    HB1  ALA  22           HB1      ALA  22  -3.609   7.838   1.768
  174    HB2  ALA  22           HB2      ALA  22  -2.193   7.775   2.817
  175    HB3  ALA  22           HB3      ALA  22  -3.304   6.405   2.750
  176    H    ASP  23           HN       ASP  23  -2.246   4.215   1.905
  177    HA   ASP  23           HA       ASP  23   0.286   4.040   3.220
  178    HB2  ASP  23           HB2      ASP  23  -1.790   2.724   3.864
  179    HB3  ASP  23           HB1      ASP  23  -1.473   1.706   2.463
  180    H    LEU  24           HN       LEU  24  -0.967   3.002   0.101
  181    HA   LEU  24           HA       LEU  24   1.338   1.585  -0.715
  182    HB2  LEU  24           HB2      LEU  24  -0.996   2.778  -2.123
  183    HB3  LEU  24           HB1      LEU  24   0.412   2.345  -3.078
  184    HG   LEU  24           HG       LEU  24  -1.447   0.616  -2.928
  185   HD11  LEU  24          HD11      LEU  24   0.804   0.086  -3.718
  186   HD12  LEU  24          HD12      LEU  24   0.119  -1.251  -2.792
  187   HD13  LEU  24          HD13      LEU  24   1.324  -0.194  -2.057
  188   HD21  LEU  24          HD21      LEU  24  -0.291   0.249  -0.169
  189   HD22  LEU  24          HD22      LEU  24  -1.467  -0.807  -0.954
  190   HD23  LEU  24          HD23      LEU  24  -1.906   0.851  -0.541
  191    H    ALA  25           HN       ALA  25   0.495   4.979  -0.750
  192    HA   ALA  25           HA       ALA  25   2.658   5.875  -2.329
  193    HB1  ALA  25           HB1      ALA  25   1.234   7.311  -0.088
  194    HB2  ALA  25           HB2      ALA  25   0.740   7.295  -1.780
  195    HB3  ALA  25           HB3      ALA  25   2.260   8.059  -1.313
  196    H    LYS  26           HN       LYS  26   2.340   5.029   1.054
  197    HA   LYS  26           HA       LYS  26   4.941   5.854   1.841
  198    HB2  LYS  26           HB2      LYS  26   3.034   3.819   3.004
  199    HB3  LYS  26           HB1      LYS  26   4.566   4.245   3.744
  200    HG2  LYS  26           HG2      LYS  26   3.845   6.409   4.265
  201    HG3  LYS  26           HG1      LYS  26   2.483   6.313   3.146
  202    HD2  LYS  26           HD2      LYS  26   1.831   6.101   5.541
  203    HD3  LYS  26           HD1      LYS  26   1.362   4.722   4.553
  204    HE2  LYS  26           HE2      LYS  26   3.533   3.636   5.336
  205    HE3  LYS  26           HE1      LYS  26   3.596   4.917   6.545
  206    HZ1  LYS  26           HZ1      LYS  26   2.553   2.909   7.403
  207    HZ2  LYS  26           HZ2      LYS  26   1.365   2.984   6.195
  208    HZ3  LYS  26           HZ3      LYS  26   1.452   4.195   7.376
  209    HA   4PH  27           HA       4PH  27   5.855   1.213   1.195
  210    HB2  4PH  27           HB1      4PH  27   3.351   0.798  -0.438
  211    HB3  4PH  27           HB2      4PH  27   3.757   0.076   1.111
  212    HD2  4PH  27           HD2      4PH  27   3.572  -0.484  -2.316
  213    HD1  4PH  27           HD1      4PH  27   5.980  -1.394   1.071
  214    HE2  4PH  27           HE2      4PH  27   4.488  -2.428  -3.499
  215    HE1  4PH  27           HE1      4PH  27   6.897  -3.351  -0.105
  216    H33  4PH  27           H33      4PH  27   6.543  -4.867  -1.845
  217   H33A  4PH  27          H33A      4PH  27   5.567  -4.470  -3.261
  218   H33B  4PH  27          H33B      4PH  27   7.182  -3.781  -3.071
  219    H    4PH  27           HN       4PH  27   3.529   2.750   0.899
  220    H    GLN  28           HN       GLN  28   4.468   2.714  -1.748
  221    HA   GLN  28           HA       GLN  28   6.420   1.638  -3.476
  222    HB2  GLN  28           HB2      GLN  28   4.588   4.013  -3.770
  223    HB3  GLN  28           HB1      GLN  28   5.693   3.505  -5.042
  224    HG2  GLN  28           HG2      GLN  28   4.593   1.268  -5.013
  225    HG3  GLN  28           HG1      GLN  28   3.418   1.913  -3.868
  226   HE21  GLN  28          HE21      GLN  28   1.909   3.424  -4.575
  227   HE22  GLN  28          HE22      GLN  28   1.586   3.681  -6.250
  228    H    LYS  29           HN       LYS  29   6.249   4.775  -1.834
  229    HA   LYS  29           HA       LYS  29   8.571   5.864  -3.000
  230    HB2  LYS  29           HB2      LYS  29   6.946   7.264  -1.842
  231    HB3  LYS  29           HB1      LYS  29   7.283   6.445  -0.325
  232    HG2  LYS  29           HG2      LYS  29   9.592   7.298  -0.407
  233    HG3  LYS  29           HG1      LYS  29   9.191   8.173  -1.885
  234    HD2  LYS  29           HD2      LYS  29   7.521   9.470  -0.696
  235    HD3  LYS  29           HD1      LYS  29   7.831   8.555   0.781
  236    HE2  LYS  29           HE2      LYS  29   9.803  10.323  -0.665
  237    HE3  LYS  29           HE1      LYS  29   8.954  10.723   0.828
  238    HZ1  LYS  29           HZ1      LYS  29  11.181   9.961   1.298
  239    HZ2  LYS  29           HZ2      LYS  29  10.912   8.517   0.468
  240    HZ3  LYS  29           HZ3      LYS  29  10.070   8.838   1.895
  241    H    ASP  30           HN       ASP  30   8.050   3.988  -0.055
  242    HA   ASP  30           HA       ASP  30  10.773   4.204   0.804
  243    HB2  ASP  30           HB2      ASP  30   8.977   3.869   2.435
  244    HB3  ASP  30           HB1      ASP  30   8.589   2.310   1.713
  245    H    LEU  31           HN       LEU  31   8.878   1.758  -0.900
  246    HA   LEU  31           HA       LEU  31  10.781  -0.294  -0.927
  247    HB2  LEU  31           HB2      LEU  31   8.280  -0.224  -1.697
  248    HB3  LEU  31           HB1      LEU  31   8.952   0.236  -3.246
  249    HG   LEU  31           HG       LEU  31   8.407  -2.171  -3.074
  250   HD11  LEU  31          HD11      LEU  31  10.507  -3.028  -3.979
  251   HD12  LEU  31          HD12      LEU  31  11.334  -1.571  -3.427
  252   HD13  LEU  31          HD13      LEU  31  10.086  -1.460  -4.668
  253   HD21  LEU  31          HD21      LEU  31  10.682  -2.299  -1.114
  254   HD22  LEU  31          HD22      LEU  31   9.688  -3.637  -1.691
  255   HD23  LEU  31          HD23      LEU  31   8.975  -2.381  -0.677
  256    H    ALA  32           HN       ALA  32  10.233   2.421  -3.113
  257    HA   ALA  32           HA       ALA  32  12.157   1.764  -5.041
  258    HB1  ALA  32           HB1      ALA  32  11.161   4.488  -4.226
  259    HB2  ALA  32           HB2      ALA  32  10.397   3.417  -5.401
  260    HB3  ALA  32           HB3      ALA  32  11.992   4.095  -5.732
  261    H    ASP  33           HN       ASP  33  12.393   3.416  -1.965
  262    HA   ASP  33           HA       ASP  33  15.122   4.237  -2.351
  263    HB2  ASP  33           HB2      ASP  33  13.618   5.499  -0.861
  264    HB3  ASP  33           HB1      ASP  33  13.483   4.096   0.192
  265    HA   4PH  34           HA       4PH  34  15.676   0.441   0.519
  266    HB2  4PH  34           HB1      4PH  34  13.147  -0.890  -0.470
  267    HB3  4PH  34           HB2      4PH  34  13.337  -0.105   1.092
  268    HD2  4PH  34           HD2      4PH  34  15.034  -1.046   2.707
  269    HD1  4PH  34           HD1      4PH  34  13.713  -3.149  -0.750
  270    HE2  4PH  34           HE2      4PH  34  15.812  -3.157   3.700
  271    HE1  4PH  34           HE1      4PH  34  14.486  -5.263   0.236
  272    H33  4PH  34           H33      4PH  34  15.567  -5.476   3.661
  273   H33A  4PH  34          H33A      4PH  34  15.027  -6.348   2.225
  274   H33B  4PH  34          H33B      4PH  34  16.668  -5.696   2.305
  275    H    4PH  34           HN       4PH  34  13.450   1.593  -0.757
  276    HN1  NH2  35           HN1      NH2  35  14.102  -0.329  -2.559
  277    HN2  NH2  35           HN2      NH2  35  15.454  -1.160  -3.249
  Start of MODEL   14
    1    H1   ACE   0           HA1      ACE   0  14.063  -3.884   3.476
    2    H2   ACE   0           HA2      ACE   0  15.086  -5.034   4.332
    3    H3   ACE   0           HA3      ACE   0  14.670  -3.514   5.119
    4    HA   PRO   1           HA       PRO   1  12.843  -5.890   2.439
    5    HB2  PRO   1           HB2      PRO   1  10.996  -7.944   2.540
    6    HB3  PRO   1           HB1      PRO   1  12.755  -8.192   2.482
    7    HG2  PRO   1           HG2      PRO   1  10.913  -8.261   4.818
    8    HG3  PRO   1           HG1      PRO   1  12.300  -9.305   4.433
    9    HD2  PRO   1           HD2      PRO   1  12.481  -7.319   6.246
   10    HD3  PRO   1           HD1      PRO   1  13.849  -7.763   5.201
   11    HA   PRO   2           HA       PRO   2   9.264  -3.243   2.759
   12    HB2  PRO   2           HB2      PRO   2   9.073  -2.635   0.095
   13    HB3  PRO   2           HB1      PRO   2  10.281  -1.900   1.173
   14    HG2  PRO   2           HG2      PRO   2  10.596  -4.126  -0.773
   15    HG3  PRO   2           HG1      PRO   2  11.692  -2.783  -0.400
   16    HD2  PRO   2           HD2      PRO   2  12.052  -5.294   0.573
   17    HD3  PRO   2           HD1      PRO   2  12.577  -3.837   1.439
   18    H    THR   3           HN       THR   3   7.411  -4.325   3.192
   19    HA   THR   3           HA       THR   3   6.450  -6.292   1.269
   20    HB   THR   3           HB       THR   3   4.679  -6.654   3.126
   21    HG1  THR   3           HG1      THR   3   6.660  -5.682   4.862
   22   HG21  THR   3          HG21      THR   3   7.580  -7.363   3.557
   23   HG22  THR   3          HG22      THR   3   6.416  -8.265   2.588
   24   HG23  THR   3          HG23      THR   3   6.209  -8.150   4.336
   25    H    LYS   4           HN       LYS   4   4.814  -5.957  -0.047
   26    HA   LYS   4           HA       LYS   4   3.591  -3.378  -0.210
   27    HB2  LYS   4           HB2      LYS   4   2.418  -4.233  -2.149
   28    HB3  LYS   4           HB1      LYS   4   4.084  -4.791  -2.215
   29    HG2  LYS   4           HG2      LYS   4   3.346  -6.963  -1.306
   30    HG3  LYS   4           HG1      LYS   4   1.679  -6.388  -1.377
   31    HD2  LYS   4           HD2      LYS   4   1.848  -6.123  -3.784
   32    HD3  LYS   4           HD1      LYS   4   3.548  -6.596  -3.738
   33    HE2  LYS   4           HE2      LYS   4   2.894  -8.800  -2.877
   34    HE3  LYS   4           HE1      LYS   4   1.198  -8.324  -2.973
   35    HZ1  LYS   4           HZ1      LYS   4   1.427  -8.084  -5.352
   36    HZ2  LYS   4           HZ2      LYS   4   1.891  -9.640  -4.885
   37    HZ3  LYS   4           HZ3      LYS   4   3.065  -8.492  -5.275
   38    HA   PRO   5           HA       PRO   5   0.056  -4.057   2.373
   39    HB2  PRO   5           HB2      PRO   5  -1.743  -2.412   1.160
   40    HB3  PRO   5           HB1      PRO   5  -0.400  -1.804   2.140
   41    HG2  PRO   5           HG2      PRO   5  -0.606  -2.027  -0.825
   42    HG3  PRO   5           HG1      PRO   5   0.013  -0.690   0.168
   43    HD2  PRO   5           HD2      PRO   5   1.657  -2.442  -1.039
   44    HD3  PRO   5           HD1      PRO   5   2.041  -1.725   0.544
   45    H    THR   6           HN       THR   6  -2.112  -4.924   2.340
   46    HA   THR   6           HA       THR   6  -2.373  -7.009   0.429
   47    HB   THR   6           HB       THR   6  -3.089  -7.345   2.745
   48    HG1  THR   6           HG1      THR   6  -4.145  -8.437   0.874
   49   HG21  THR   6          HG21      THR   6  -5.282  -5.367   2.110
   50   HG22  THR   6          HG22      THR   6  -3.952  -5.121   3.242
   51   HG23  THR   6          HG23      THR   6  -5.175  -6.347   3.574
   52    H    LYS   7           HN       LYS   7  -3.614  -7.194  -1.311
   53    HA   LYS   7           HA       LYS   7  -4.735  -4.919  -2.567
   54    HB2  LYS   7           HB2      LYS   7  -5.137  -7.856  -3.172
   55    HB3  LYS   7           HB1      LYS   7  -5.564  -6.531  -4.241
   56    HG2  LYS   7           HG2      LYS   7  -2.769  -7.172  -3.323
   57    HG3  LYS   7           HG1      LYS   7  -3.466  -7.643  -4.872
   58    HD2  LYS   7           HD2      LYS   7  -3.872  -5.209  -5.321
   59    HD3  LYS   7           HD1      LYS   7  -2.938  -4.856  -3.864
   60    HE2  LYS   7           HE2      LYS   7  -1.513  -4.659  -5.799
   61    HE3  LYS   7           HE1      LYS   7  -1.017  -6.053  -4.840
   62    HZ1  LYS   7           HZ1      LYS   7  -2.749  -6.209  -7.246
   63    HZ2  LYS   7           HZ2      LYS   7  -2.096  -7.509  -6.383
   64    HZ3  LYS   7           HZ3      LYS   7  -1.079  -6.477  -7.254
   65    HA   PRO   8           HA       PRO   8  -8.626  -5.093  -0.286
   66    HB2  PRO   8           HB2      PRO   8  -9.369  -2.868  -2.074
   67    HB3  PRO   8           HB1      PRO   8  -9.271  -2.904  -0.301
   68    HG2  PRO   8           HG2      PRO   8  -7.505  -1.555  -1.775
   69    HG3  PRO   8           HG1      PRO   8  -7.035  -2.384  -0.275
   70    HD2  PRO   8           HD2      PRO   8  -6.636  -3.257  -3.116
   71    HD3  PRO   8           HD1      PRO   8  -5.522  -3.365  -1.732
   72    H    GLY   9           HN       GLY   9  -9.954  -6.685  -0.835
   73    HA2  GLY   9           HA2      GLY   9 -10.962  -6.823  -3.594
   74    HA3  GLY   9           HA1      GLY   9 -11.020  -8.130  -2.419
   75    H    ASP  10           HN       ASP  10 -12.353  -7.657  -0.452
   76    HA   ASP  10           HA       ASP  10 -14.911  -6.526  -1.300
   77    HB2  ASP  10           HB2      ASP  10 -14.982  -8.750  -0.312
   78    HB3  ASP  10           HB1      ASP  10 -14.159  -8.167   1.131
   79    H    ASN  11           HN       ASN  11 -12.235  -5.880   0.755
   80    HA   ASN  11           HA       ASN  11 -13.599  -3.831   2.279
   81    HB2  ASN  11           HB2      ASN  11 -11.402  -3.431   3.321
   82    HB3  ASN  11           HB1      ASN  11 -11.854  -5.128   3.393
   83   HD21  ASN  11          HD21      ASN  11  -9.223  -3.846   3.549
   84   HD22  ASN  11          HD22      ASN  11  -8.275  -4.571   2.302
   85    H    ALA  12           HN       ALA  12 -12.957  -3.870  -0.768
   86    HA   ALA  12           HA       ALA  12 -11.250  -1.606  -1.177
   87    HB1  ALA  12           HB1      ALA  12 -11.350  -3.462  -2.768
   88    HB2  ALA  12           HB2      ALA  12 -11.743  -1.919  -3.531
   89    HB3  ALA  12           HB3      ALA  12 -13.030  -3.055  -3.123
   90    H    THR  13           HN       THR  13 -13.883  -1.352   0.326
   91    HA   THR  13           HA       THR  13 -15.660   0.273  -1.083
   92    HB   THR  13           HB       THR  13 -16.056   1.289   1.276
   93    HG1  THR  13           HG1      THR  13 -13.854   0.211   1.847
   94   HG21  THR  13          HG21      THR  13 -16.438  -1.660   0.755
   95   HG22  THR  13          HG22      THR  13 -17.514  -0.368   0.228
   96   HG23  THR  13          HG23      THR  13 -17.318  -0.704   1.947
   97    HA   PRO  14           HA       PRO  14 -13.714   3.890  -2.456
   98    HB2  PRO  14           HB2      PRO  14 -15.816   5.260  -0.805
   99    HB3  PRO  14           HB1      PRO  14 -15.295   5.605  -2.464
  100    HG2  PRO  14           HG2      PRO  14 -17.516   4.233  -1.974
  101    HG3  PRO  14           HG1      PRO  14 -16.467   3.857  -3.360
  102    HD2  PRO  14           HD2      PRO  14 -16.925   2.305  -0.899
  103    HD3  PRO  14           HD1      PRO  14 -16.273   1.775  -2.459
  104    H    GLU  15           HN       GLU  15 -14.719   4.225   0.968
  105    HA   GLU  15           HA       GLU  15 -12.896   6.318   1.506
  106    HB2  GLU  15           HB2      GLU  15 -14.328   4.421   3.361
  107    HB3  GLU  15           HB1      GLU  15 -13.403   5.813   3.906
  108    HG2  GLU  15           HG2      GLU  15 -14.899   7.303   2.739
  109    HG3  GLU  15           HG1      GLU  15 -15.777   5.933   2.068
  110    H    LYS  16           HN       LYS  16 -12.731   2.835   2.088
  111    HA   LYS  16           HA       LYS  16 -10.142   2.971   3.308
  112    HB2  LYS  16           HB2      LYS  16 -11.686   1.172   3.903
  113    HB3  LYS  16           HB1      LYS  16 -11.706   0.608   2.234
  114    HG2  LYS  16           HG2      LYS  16 -10.295  -0.826   3.542
  115    HG3  LYS  16           HG1      LYS  16  -9.298   0.096   2.418
  116    HD2  LYS  16           HD2      LYS  16  -8.715   1.654   4.224
  117    HD3  LYS  16           HD1      LYS  16  -9.699   0.711   5.346
  118    HE2  LYS  16           HE2      LYS  16  -8.261  -1.256   4.865
  119    HE3  LYS  16           HE1      LYS  16  -7.236  -0.219   3.874
  120    HZ1  LYS  16           HZ1      LYS  16  -6.737   1.110   5.814
  121    HZ2  LYS  16           HZ2      LYS  16  -6.367  -0.510   6.121
  122    HZ3  LYS  16           HZ3      LYS  16  -7.768   0.170   6.770
  123    H    LEU  17           HN       LEU  17 -11.420   2.461   0.104
  124    HA   LEU  17           HA       LEU  17  -9.089   1.423  -1.102
  125    HB2  LEU  17           HB2      LEU  17 -11.396   1.329  -2.045
  126    HB3  LEU  17           HB1      LEU  17 -11.283   3.046  -2.379
  127    HG   LEU  17           HG       LEU  17  -9.460   2.639  -3.957
  128   HD11  LEU  17          HD11      LEU  17  -8.442   0.698  -2.936
  129   HD12  LEU  17          HD12      LEU  17  -8.911   0.316  -4.592
  130   HD13  LEU  17          HD13      LEU  17  -9.888  -0.259  -3.241
  131   HD21  LEU  17          HD21      LEU  17 -10.770   1.475  -5.660
  132   HD22  LEU  17          HD22      LEU  17 -11.767   2.611  -4.748
  133   HD23  LEU  17          HD23      LEU  17 -11.865   0.882  -4.409
  134    H    ALA  18           HN       ALA  18 -10.292   4.676  -0.575
  135    HA   ALA  18           HA       ALA  18  -8.244   6.024  -1.997
  136    HB1  ALA  18           HB1      ALA  18 -10.385   7.071  -1.456
  137    HB2  ALA  18           HB2      ALA  18  -9.034   8.019  -0.836
  138    HB3  ALA  18           HB3      ALA  18  -9.982   7.010   0.258
  139    H    LYS  19           HN       LYS  19  -8.704   5.171   1.405
  140    HA   LYS  19           HA       LYS  19  -6.327   6.277   2.402
  141    HB2  LYS  19           HB2      LYS  19  -8.201   5.487   3.821
  142    HB3  LYS  19           HB1      LYS  19  -7.808   3.829   3.391
  143    HG2  LYS  19           HG2      LYS  19  -6.928   4.316   5.571
  144    HG3  LYS  19           HG1      LYS  19  -5.593   4.109   4.437
  145    HD2  LYS  19           HD2      LYS  19  -5.105   5.991   5.834
  146    HD3  LYS  19           HD1      LYS  19  -5.482   6.590   4.220
  147    HE2  LYS  19           HE2      LYS  19  -7.821   7.005   5.024
  148    HE3  LYS  19           HE1      LYS  19  -7.266   6.608   6.648
  149    HZ1  LYS  19           HZ1      LYS  19  -5.689   8.431   6.517
  150    HZ2  LYS  19           HZ2      LYS  19  -7.262   8.991   6.263
  151    HZ3  LYS  19           HZ3      LYS  19  -6.212   8.805   4.953
  152    HA   4PH  20           HA       4PH  20  -4.620   1.876   1.345
  153    HB2  4PH  20           HB1      4PH  20  -6.615   1.656  -0.914
  154    HB3  4PH  20           HB2      4PH  20  -6.569   0.679   0.545
  155    HD2  4PH  20           HD2      4PH  20  -4.348  -0.663   0.915
  156    HD1  4PH  20           HD1      4PH  20  -5.695   0.823  -2.832
  157    HE2  4PH  20           HE2      4PH  20  -2.951  -2.319  -0.241
  158    HE1  4PH  20           HE1      4PH  20  -4.294  -0.829  -3.998
  159    H33  4PH  20           H33      4PH  20  -1.761  -2.176  -3.016
  160   H33A  4PH  20          H33A      4PH  20  -2.648  -3.490  -2.232
  161   H33B  4PH  20          H33B      4PH  20  -3.192  -2.849  -3.788
  162    H    4PH  20           HN       4PH  20  -7.059   3.169   0.945
  163    H    GLN  21           HN       GLN  21  -5.686   3.928  -1.376
  164    HA   GLN  21           HA       GLN  21  -3.326   3.790  -2.875
  165    HB2  GLN  21           HB2      GLN  21  -5.373   6.000  -2.649
  166    HB3  GLN  21           HB1      GLN  21  -4.079   5.987  -3.840
  167    HG2  GLN  21           HG2      GLN  21  -6.171   3.845  -3.578
  168    HG3  GLN  21           HG1      GLN  21  -6.258   5.198  -4.706
  169   HE21  GLN  21          HE21      GLN  21  -4.620   2.219  -3.923
  170   HE22  GLN  21          HE22      GLN  21  -3.853   2.015  -5.453
  171    H    ALA  22           HN       ALA  22  -4.158   5.711  -0.082
  172    HA   ALA  22           HA       ALA  22  -1.849   7.401  -0.210
  173    HB1  ALA  22           HB1      ALA  22  -2.528   8.126   2.012
  174    HB2  ALA  22           HB2      ALA  22  -3.694   6.804   2.094
  175    HB3  ALA  22           HB3      ALA  22  -3.909   8.094   0.913
  176    H    ASP  23           HN       ASP  23  -2.684   4.352   1.270
  177    HA   ASP  23           HA       ASP  23  -0.395   4.163   2.950
  178    HB2  ASP  23           HB2      ASP  23  -2.412   2.849   3.410
  179    HB3  ASP  23           HB1      ASP  23  -2.200   1.967   1.899
  180    H    LEU  24           HN       LEU  24  -1.057   3.294  -0.379
  181    HA   LEU  24           HA       LEU  24   1.221   1.779  -0.948
  182    HB2  LEU  24           HB2      LEU  24  -0.553   3.550  -2.568
  183    HB3  LEU  24           HB1      LEU  24   0.975   3.049  -3.268
  184    HG   LEU  24           HG       LEU  24  -1.002   1.655  -3.920
  185   HD11  LEU  24          HD11      LEU  24   0.153  -0.500  -3.617
  186   HD12  LEU  24          HD12      LEU  24   1.259   0.276  -2.485
  187   HD13  LEU  24          HD13      LEU  24   1.230   0.781  -4.174
  188   HD21  LEU  24          HD21      LEU  24  -0.838   0.725  -1.064
  189   HD22  LEU  24          HD22      LEU  24  -1.831   0.010  -2.334
  190   HD23  LEU  24          HD23      LEU  24  -2.156   1.652  -1.777
  191    H    ALA  25           HN       ALA  25   0.861   5.177  -0.356
  192    HA   ALA  25           HA       ALA  25   3.207   6.126  -1.559
  193    HB1  ALA  25           HB1      ALA  25   3.007   8.034  -0.057
  194    HB2  ALA  25           HB2      ALA  25   1.841   7.148   0.925
  195    HB3  ALA  25           HB3      ALA  25   1.440   7.595  -0.732
  196    H    LYS  26           HN       LYS  26   2.659   4.525   1.525
  197    HA   LYS  26           HA       LYS  26   5.232   4.979   2.620
  198    HB2  LYS  26           HB2      LYS  26   3.399   2.616   3.076
  199    HB3  LYS  26           HB1      LYS  26   4.749   3.080   4.088
  200    HG2  LYS  26           HG2      LYS  26   3.539   5.211   4.581
  201    HG3  LYS  26           HG1      LYS  26   2.152   4.543   3.715
  202    HD2  LYS  26           HD2      LYS  26   2.282   2.560   5.260
  203    HD3  LYS  26           HD1      LYS  26   3.467   3.461   6.202
  204    HE2  LYS  26           HE2      LYS  26   1.356   3.758   7.252
  205    HE3  LYS  26           HE1      LYS  26   1.759   5.275   6.448
  206    HZ1  LYS  26           HZ1      LYS  26   0.245   4.804   4.715
  207    HZ2  LYS  26           HZ2      LYS  26  -0.582   4.494   6.155
  208    HZ3  LYS  26           HZ3      LYS  26   0.014   3.206   5.227
  209    HA   4PH  27           HA       4PH  27   6.087   0.709   0.757
  210    HB2  4PH  27           HB1      4PH  27   3.551   0.738  -0.875
  211    HB3  4PH  27           HB2      4PH  27   3.947  -0.304   0.480
  212    HD2  4PH  27           HD2      4PH  27   3.544  -0.241  -2.918
  213    HD1  4PH  27           HD1      4PH  27   6.238  -1.716   0.030
  214    HE2  4PH  27           HE2      4PH  27   4.310  -1.967  -4.489
  215    HE1  4PH  27           HE1      4PH  27   7.005  -3.448  -1.538
  216    H33  4PH  27           H33      4PH  27   5.332  -4.050  -4.657
  217   H33A  4PH  27          H33A      4PH  27   6.978  -3.422  -4.554
  218   H33B  4PH  27          H33B      4PH  27   6.429  -4.665  -3.424
  219    H    4PH  27           HN       4PH  27   3.811   2.405   0.706
  220    H    GLN  28           HN       GLN  28   4.735   2.888  -1.712
  221    HA   GLN  28           HA       GLN  28   6.543   2.174  -3.747
  222    HB2  GLN  28           HB2      GLN  28   4.968   4.721  -3.334
  223    HB3  GLN  28           HB1      GLN  28   5.855   4.338  -4.804
  224    HG2  GLN  28           HG2      GLN  28   4.435   2.412  -5.201
  225    HG3  GLN  28           HG1      GLN  28   3.595   2.686  -3.676
  226   HE21  GLN  28          HE21      GLN  28   2.520   2.583  -6.369
  227   HE22  GLN  28          HE22      GLN  28   1.748   4.102  -6.644
  228    H    LYS  29           HN       LYS  29   6.697   4.649  -1.244
  229    HA   LYS  29           HA       LYS  29   9.058   5.892  -2.223
  230    HB2  LYS  29           HB2      LYS  29   7.522   7.041  -0.696
  231    HB3  LYS  29           HB1      LYS  29   7.882   5.871   0.565
  232    HG2  LYS  29           HG2      LYS  29  10.216   6.631   0.580
  233    HG3  LYS  29           HG1      LYS  29   9.819   7.829  -0.651
  234    HD2  LYS  29           HD2      LYS  29   8.198   8.851   0.885
  235    HD3  LYS  29           HD1      LYS  29   8.631   7.664   2.117
  236    HE2  LYS  29           HE2      LYS  29   9.778   9.771   2.514
  237    HE3  LYS  29           HE1      LYS  29  10.931   8.499   2.110
  238    HZ1  LYS  29           HZ1      LYS  29   9.911  10.547   0.216
  239    HZ2  LYS  29           HZ2      LYS  29  11.059   9.353  -0.132
  240    HZ3  LYS  29           HZ3      LYS  29  11.423  10.579   0.968
  241    H    ASP  30           HN       ASP  30   8.428   3.424   0.237
  242    HA   ASP  30           HA       ASP  30  11.151   3.207   1.045
  243    HB2  ASP  30           HB2      ASP  30   9.319   2.572   2.545
  244    HB3  ASP  30           HB1      ASP  30   8.845   1.283   1.444
  245    H    LEU  31           HN       LEU  31   9.151   1.505  -1.303
  246    HA   LEU  31           HA       LEU  31  10.953  -0.571  -1.930
  247    HB2  LEU  31           HB2      LEU  31   8.449  -0.165  -2.605
  248    HB3  LEU  31           HB1      LEU  31   9.142   0.686  -3.968
  249    HG   LEU  31           HG       LEU  31   8.479  -1.642  -4.487
  250   HD11  LEU  31          HD11      LEU  31  10.517  -2.306  -5.636
  251   HD12  LEU  31          HD12      LEU  31  11.443  -1.154  -4.675
  252   HD13  LEU  31          HD13      LEU  31  10.226  -0.575  -5.811
  253   HD21  LEU  31          HD21      LEU  31  10.737  -2.449  -2.675
  254   HD22  LEU  31          HD22      LEU  31   9.661  -3.506  -3.589
  255   HD23  LEU  31          HD23      LEU  31   9.028  -2.549  -2.248
  256    H    ALA  32           HN       ALA  32  10.543   2.696  -3.182
  257    HA   ALA  32           HA       ALA  32  12.376   2.581  -5.289
  258    HB1  ALA  32           HB1      ALA  32  11.620   4.959  -3.599
  259    HB2  ALA  32           HB2      ALA  32  10.741   4.379  -5.013
  260    HB3  ALA  32           HB3      ALA  32  12.377   5.013  -5.190
  261    H    ASP  33           HN       ASP  33  12.801   3.658  -1.937
  262    HA   ASP  33           HA       ASP  33  15.550   4.262  -2.158
  263    HB2  ASP  33           HB2      ASP  33  14.329   5.208  -0.334
  264    HB3  ASP  33           HB1      ASP  33  13.814   3.622   0.231
  265    HA   4PH  34           HA       4PH  34  16.065  -0.133  -0.335
  266    HB2  4PH  34           HB1      4PH  34  13.518  -1.193  -1.568
  267    HB3  4PH  34           HB2      4PH  34  13.684  -0.706   0.113
  268    HD2  4PH  34           HD2      4PH  34  15.497  -1.900   1.487
  269    HD1  4PH  34           HD1      4PH  34  13.927  -3.403  -2.171
  270    HE2  4PH  34           HE2      4PH  34  16.220  -4.165   2.112
  271    HE1  4PH  34           HE1      4PH  34  14.651  -5.671  -1.555
  272    H33  4PH  34           H33      4PH  34  16.871  -6.523   0.337
  273   H33A  4PH  34          H33A      4PH  34  15.823  -6.441   1.755
  274   H33B  4PH  34          H33B      4PH  34  15.197  -7.053   0.218
  275    H    4PH  34           HN       4PH  34  13.839   1.324  -1.254
  276    HN1  NH2  35           HN1      NH2  35  14.550   0.123  -3.502
  277    HN2  NH2  35           HN2      NH2  35  15.817  -0.660  -4.381
  Start of MODEL   15
    1    H1   ACE   0           HA1      ACE   0  14.110  -3.162   4.874
    2    H2   ACE   0           HA2      ACE   0  13.859  -1.958   6.135
    3    H3   ACE   0           HA3      ACE   0  12.805  -1.946   4.723
    4    HA   PRO   1           HA       PRO   1  12.463  -4.743   3.548
    5    HB2  PRO   1           HB2      PRO   1  10.993  -7.110   4.599
    6    HB3  PRO   1           HB1      PRO   1  12.280  -7.034   3.378
    7    HG2  PRO   1           HG2      PRO   1  12.752  -7.984   5.808
    8    HG3  PRO   1           HG1      PRO   1  13.961  -7.020   4.932
    9    HD2  PRO   1           HD2      PRO   1  12.187  -6.215   7.195
   10    HD3  PRO   1           HD1      PRO   1  13.860  -5.734   6.839
   11    HA   PRO   2           HA       PRO   2   8.353  -2.918   3.899
   12    HB2  PRO   2           HB2      PRO   2   8.182  -2.115   1.288
   13    HB3  PRO   2           HB1      PRO   2   9.073  -1.207   2.526
   14    HG2  PRO   2           HG2      PRO   2  10.093  -3.021   0.414
   15    HG3  PRO   2           HG1      PRO   2  10.784  -1.519   1.058
   16    HD2  PRO   2           HD2      PRO   2  11.661  -4.015   1.758
   17    HD3  PRO   2           HD1      PRO   2  11.817  -2.586   2.798
   18    H    THR   3           HN       THR   3   7.068  -4.703   4.183
   19    HA   THR   3           HA       THR   3   6.650  -6.676   2.180
   20    HB   THR   3           HB       THR   3   4.609  -7.170   3.772
   21    HG1  THR   3           HG1      THR   3   4.507  -5.895   5.448
   22   HG21  THR   3          HG21      THR   3   6.106  -8.414   5.278
   23   HG22  THR   3          HG22      THR   3   7.483  -7.516   4.638
   24   HG23  THR   3          HG23      THR   3   6.572  -8.598   3.588
   25    H    LYS   4           HN       LYS   4   5.381  -6.550   0.463
   26    HA   LYS   4           HA       LYS   4   3.734  -4.264   0.013
   27    HB2  LYS   4           HB2      LYS   4   3.274  -5.192  -2.156
   28    HB3  LYS   4           HB1      LYS   4   4.973  -5.465  -1.801
   29    HG2  LYS   4           HG2      LYS   4   4.467  -7.777  -1.194
   30    HG3  LYS   4           HG1      LYS   4   2.767  -7.494  -1.585
   31    HD2  LYS   4           HD2      LYS   4   3.427  -6.934  -3.897
   32    HD3  LYS   4           HD1      LYS   4   5.103  -7.301  -3.488
   33    HE2  LYS   4           HE2      LYS   4   4.067  -9.179  -4.626
   34    HE3  LYS   4           HE1      LYS   4   4.465  -9.604  -2.964
   35    HZ1  LYS   4           HZ1      LYS   4   2.255 -10.381  -3.649
   36    HZ2  LYS   4           HZ2      LYS   4   1.769  -8.781  -3.896
   37    HZ3  LYS   4           HZ3      LYS   4   2.176  -9.309  -2.344
   38    HA   PRO   5           HA       PRO   5   0.003  -5.902   1.753
   39    HB2  PRO   5           HB2      PRO   5  -1.647  -3.900   1.022
   40    HB3  PRO   5           HB1      PRO   5  -0.403  -3.677   2.263
   41    HG2  PRO   5           HG2      PRO   5  -0.408  -2.805  -0.572
   42    HG3  PRO   5           HG1      PRO   5   0.233  -1.988   0.863
   43    HD2  PRO   5           HD2      PRO   5   1.745  -3.413  -0.962
   44    HD3  PRO   5           HD1      PRO   5   2.246  -3.032   0.699
   45    H    THR   6           HN       THR   6  -2.174  -6.547   1.094
   46    HA   THR   6           HA       THR   6  -2.187  -7.512  -1.654
   47    HB   THR   6           HB       THR   6  -2.682  -9.088   0.208
   48    HG1  THR   6           HG1      THR   6  -3.904 -10.137  -1.163
   49   HG21  THR   6          HG21      THR   6  -3.917  -7.568   1.670
   50   HG22  THR   6          HG22      THR   6  -4.879  -8.996   1.290
   51   HG23  THR   6          HG23      THR   6  -5.211  -7.467   0.476
   52    H    LYS   7           HN       LYS   7  -4.034  -7.315  -2.995
   53    HA   LYS   7           HA       LYS   7  -5.197  -4.719  -3.032
   54    HB2  LYS   7           HB2      LYS   7  -5.842  -7.198  -4.636
   55    HB3  LYS   7           HB1      LYS   7  -6.500  -5.602  -4.963
   56    HG2  LYS   7           HG2      LYS   7  -3.576  -6.321  -5.043
   57    HG3  LYS   7           HG1      LYS   7  -4.634  -6.185  -6.448
   58    HD2  LYS   7           HD2      LYS   7  -5.065  -3.817  -5.829
   59    HD3  LYS   7           HD1      LYS   7  -3.891  -3.984  -4.522
   60    HE2  LYS   7           HE2      LYS   7  -2.158  -4.539  -6.174
   61    HE3  LYS   7           HE1      LYS   7  -3.335  -4.321  -7.468
   62    HZ1  LYS   7           HZ1      LYS   7  -2.022  -2.346  -7.235
   63    HZ2  LYS   7           HZ2      LYS   7  -2.367  -2.238  -5.586
   64    HZ3  LYS   7           HZ3      LYS   7  -3.597  -2.000  -6.723
   65    HA   PRO   8           HA       PRO   8  -8.570  -5.599  -0.185
   66    HB2  PRO   8           HB2      PRO   8  -9.622  -3.109  -1.440
   67    HB3  PRO   8           HB1      PRO   8  -9.377  -3.492   0.278
   68    HG2  PRO   8           HG2      PRO   8  -7.771  -1.807  -0.991
   69    HG3  PRO   8           HG1      PRO   8  -7.141  -2.939   0.225
   70    HD2  PRO   8           HD2      PRO   8  -6.973  -3.083  -2.757
   71    HD3  PRO   8           HD1      PRO   8  -5.770  -3.544  -1.531
   72    H    GLY   9           HN       GLY   9 -10.374  -6.769  -0.505
   73    HA2  GLY   9           HA2      GLY   9 -11.385  -6.965  -3.258
   74    HA3  GLY   9           HA1      GLY   9 -11.596  -8.178  -2.005
   75    H    ASP  10           HN       ASP  10 -12.926  -7.461  -0.105
   76    HA   ASP  10           HA       ASP  10 -15.298  -6.063  -1.091
   77    HB2  ASP  10           HB2      ASP  10 -14.821  -7.733   1.383
   78    HB3  ASP  10           HB1      ASP  10 -16.320  -6.866   1.073
   79    H    ASN  11           HN       ASN  11 -12.650  -5.701   1.062
   80    HA   ASN  11           HA       ASN  11 -13.770  -3.410   2.422
   81    HB2  ASN  11           HB2      ASN  11 -11.596  -3.277   3.561
   82    HB3  ASN  11           HB1      ASN  11 -12.272  -4.898   3.660
   83   HD21  ASN  11          HD21      ASN  11  -9.519  -4.040   3.952
   84   HD22  ASN  11          HD22      ASN  11  -8.611  -4.886   2.753
   85    H    ALA  12           HN       ALA  12 -12.969  -3.744  -0.580
   86    HA   ALA  12           HA       ALA  12 -11.115  -1.614  -1.049
   87    HB1  ALA  12           HB1      ALA  12 -11.575  -2.012  -3.398
   88    HB2  ALA  12           HB2      ALA  12 -12.948  -3.035  -2.971
   89    HB3  ALA  12           HB3      ALA  12 -11.309  -3.540  -2.558
   90    H    THR  13           HN       THR  13 -13.626  -1.040   0.444
   91    HA   THR  13           HA       THR  13 -15.432   0.455  -1.102
   92    HB   THR  13           HB       THR  13 -15.960   1.616   1.065
   93    HG1  THR  13           HG1      THR  13 -14.897   0.751   2.933
   94   HG21  THR  13          HG21      THR  13 -16.898  -0.354   2.140
   95   HG22  THR  13          HG22      THR  13 -15.831  -1.397   1.202
   96   HG23  THR  13          HG23      THR  13 -17.087  -0.462   0.392
   97    HA   PRO  14           HA       PRO  14 -13.312   4.061  -2.485
   98    HB2  PRO  14           HB2      PRO  14 -15.560   5.542  -1.167
   99    HB3  PRO  14           HB1      PRO  14 -14.909   5.717  -2.808
  100    HG2  PRO  14           HG2      PRO  14 -17.191   4.433  -2.357
  101    HG3  PRO  14           HG1      PRO  14 -16.052   3.912  -3.619
  102    HD2  PRO  14           HD2      PRO  14 -16.681   2.639  -1.021
  103    HD3  PRO  14           HD1      PRO  14 -16.047   1.917  -2.508
  104    H    GLU  15           HN       GLU  15 -14.559   4.043   0.815
  105    HA   GLU  15           HA       GLU  15 -13.035   6.197   1.812
  106    HB2  GLU  15           HB2      GLU  15 -14.237   3.814   3.228
  107    HB3  GLU  15           HB1      GLU  15 -13.540   5.203   4.047
  108    HG2  GLU  15           HG2      GLU  15 -15.226   6.645   3.079
  109    HG3  GLU  15           HG1      GLU  15 -15.891   5.287   2.176
  110    H    LYS  16           HN       LYS  16 -12.513   2.673   2.070
  111    HA   LYS  16           HA       LYS  16  -9.983   3.122   3.385
  112    HB2  LYS  16           HB2      LYS  16 -11.494   1.304   4.119
  113    HB3  LYS  16           HB1      LYS  16 -11.286   0.521   2.553
  114    HG2  LYS  16           HG2      LYS  16  -8.947   0.174   2.985
  115    HG3  LYS  16           HG1      LYS  16  -9.050   1.087   4.489
  116    HD2  LYS  16           HD2      LYS  16 -10.639  -0.606   5.355
  117    HD3  LYS  16           HD1      LYS  16 -10.409  -1.535   3.872
  118    HE2  LYS  16           HE2      LYS  16  -9.019  -2.385   5.708
  119    HE3  LYS  16           HE1      LYS  16  -8.046  -1.788   4.367
  120    HZ1  LYS  16           HZ1      LYS  16  -7.563   0.193   5.571
  121    HZ2  LYS  16           HZ2      LYS  16  -7.241  -1.112   6.594
  122    HZ3  LYS  16           HZ3      LYS  16  -8.650  -0.205   6.803
  123    H    LEU  17           HN       LEU  17 -11.153   2.375   0.218
  124    HA   LEU  17           HA       LEU  17  -8.806   1.292  -0.894
  125    HB2  LEU  17           HB2      LEU  17 -11.069   1.261  -1.936
  126    HB3  LEU  17           HB1      LEU  17 -10.897   2.973  -2.267
  127    HG   LEU  17           HG       LEU  17  -8.993   2.494  -3.746
  128   HD11  LEU  17          HD11      LEU  17  -8.174   0.473  -2.669
  129   HD12  LEU  17          HD12      LEU  17  -8.512   0.172  -4.371
  130   HD13  LEU  17          HD13      LEU  17  -9.638  -0.387  -3.134
  131   HD21  LEU  17          HD21      LEU  17 -10.280   1.451  -5.529
  132   HD22  LEU  17          HD22      LEU  17 -11.268   2.604  -4.631
  133   HD23  LEU  17          HD23      LEU  17 -11.457   0.873  -4.349
  134    H    ALA  18           HN       ALA  18  -9.928   4.572  -0.412
  135    HA   ALA  18           HA       ALA  18  -7.839   5.891  -1.781
  136    HB1  ALA  18           HB1      ALA  18  -9.922   7.015  -1.236
  137    HB2  ALA  18           HB2      ALA  18  -8.559   7.873  -0.514
  138    HB3  ALA  18           HB3      ALA  18  -9.585   6.843   0.485
  139    H    LYS  19           HN       LYS  19  -8.316   4.967   1.601
  140    HA   LYS  19           HA       LYS  19  -5.892   5.968   2.604
  141    HB2  LYS  19           HB2      LYS  19  -7.707   5.252   4.079
  142    HB3  LYS  19           HB1      LYS  19  -7.521   3.591   3.532
  143    HG2  LYS  19           HG2      LYS  19  -6.486   3.816   5.678
  144    HG3  LYS  19           HG1      LYS  19  -5.229   3.584   4.459
  145    HD2  LYS  19           HD2      LYS  19  -4.864   6.027   4.422
  146    HD3  LYS  19           HD1      LYS  19  -6.060   6.202   5.705
  147    HE2  LYS  19           HE2      LYS  19  -3.889   6.239   6.704
  148    HE3  LYS  19           HE1      LYS  19  -4.657   4.709   7.121
  149    HZ1  LYS  19           HZ1      LYS  19  -3.365   3.608   5.430
  150    HZ2  LYS  19           HZ2      LYS  19  -2.327   4.451   6.464
  151    HZ3  LYS  19           HZ3      LYS  19  -2.680   5.075   4.935
  152    HA   4PH  20           HA       4PH  20  -4.345   1.563   1.467
  153    HB2  4PH  20           HB1      4PH  20  -6.374   1.350  -0.764
  154    HB3  4PH  20           HB2      4PH  20  -6.370   0.427   0.729
  155    HD2  4PH  20           HD2      4PH  20  -5.459   0.422  -2.652
  156    HD1  4PH  20           HD1      4PH  20  -4.238  -1.010   1.152
  157    HE2  4PH  20           HE2      4PH  20  -4.131  -1.334  -3.747
  158    HE1  4PH  20           HE1      4PH  20  -2.915  -2.774   0.074
  159    H33  4PH  20           H33      4PH  20  -1.815  -3.363  -1.904
  160   H33A  4PH  20          H33A      4PH  20  -3.257  -4.026  -2.663
  161   H33B  4PH  20          H33B      4PH  20  -2.327  -2.763  -3.476
  162    H    4PH  20           HN       4PH  20  -6.755   2.937   1.068
  163    H    GLN  21           HN       GLN  21  -5.435   3.544  -1.306
  164    HA   GLN  21           HA       GLN  21  -3.072   3.359  -2.791
  165    HB2  GLN  21           HB2      GLN  21  -5.154   5.536  -2.657
  166    HB3  GLN  21           HB1      GLN  21  -3.820   5.558  -3.802
  167    HG2  GLN  21           HG2      GLN  21  -5.873   3.371  -3.594
  168    HG3  GLN  21           HG1      GLN  21  -5.918   4.694  -4.759
  169   HE21  GLN  21          HE21      GLN  21  -4.307   1.746  -3.829
  170   HE22  GLN  21          HE22      GLN  21  -3.442   1.522  -5.304
  171    H    ALA  22           HN       ALA  22  -3.965   5.517  -0.168
  172    HA   ALA  22           HA       ALA  22  -1.704   7.211  -0.339
  173    HB1  ALA  22           HB1      ALA  22  -3.731   7.871   0.812
  174    HB2  ALA  22           HB2      ALA  22  -2.351   7.926   1.910
  175    HB3  ALA  22           HB3      ALA  22  -3.495   6.585   1.994
  176    H    ASP  23           HN       ASP  23  -2.406   4.266   1.462
  177    HA   ASP  23           HA       ASP  23   0.049   4.169   2.891
  178    HB2  ASP  23           HB2      ASP  23  -1.848   2.853   3.648
  179    HB3  ASP  23           HB1      ASP  23  -1.889   1.966   2.128
  180    H    LEU  24           HN       LEU  24  -0.995   2.956  -0.248
  181    HA   LEU  24           HA       LEU  24   1.352   1.530  -0.857
  182    HB2  LEU  24           HB2      LEU  24  -0.903   2.621  -2.452
  183    HB3  LEU  24           HB1      LEU  24   0.559   2.161  -3.306
  184    HG   LEU  24           HG       LEU  24  -1.282   0.412  -3.164
  185   HD11  LEU  24          HD11      LEU  24   1.434  -0.322  -2.081
  186   HD12  LEU  24          HD12      LEU  24   1.036  -0.100  -3.783
  187   HD13  LEU  24          HD13      LEU  24   0.291  -1.412  -2.868
  188   HD21  LEU  24          HD21      LEU  24  -1.874   0.762  -0.823
  189   HD22  LEU  24          HD22      LEU  24  -0.271   0.215  -0.334
  190   HD23  LEU  24          HD23      LEU  24  -1.381  -0.905  -1.124
  191    H    ALA  25           HN       ALA  25   0.518   4.913  -1.121
  192    HA   ALA  25           HA       ALA  25   2.698   5.759  -2.677
  193    HB1  ALA  25           HB1      ALA  25   2.326   7.960  -1.684
  194    HB2  ALA  25           HB2      ALA  25   1.289   7.236  -0.455
  195    HB3  ALA  25           HB3      ALA  25   0.802   7.206  -2.149
  196    H    LYS  26           HN       LYS  26   2.368   5.077   0.753
  197    HA   LYS  26           HA       LYS  26   4.983   5.941   1.476
  198    HB2  LYS  26           HB2      LYS  26   3.049   4.071   2.858
  199    HB3  LYS  26           HB1      LYS  26   4.540   4.665   3.572
  200    HG2  LYS  26           HG2      LYS  26   3.725   6.926   3.531
  201    HG3  LYS  26           HG1      LYS  26   2.288   6.428   2.639
  202    HD2  LYS  26           HD2      LYS  26   1.757   6.746   4.984
  203    HD3  LYS  26           HD1      LYS  26   1.598   5.047   4.544
  204    HE2  LYS  26           HE2      LYS  26   3.797   4.592   5.509
  205    HE3  LYS  26           HE1      LYS  26   3.961   6.290   5.946
  206    HZ1  LYS  26           HZ1      LYS  26   3.231   4.919   7.811
  207    HZ2  LYS  26           HZ2      LYS  26   1.847   4.464   6.954
  208    HZ3  LYS  26           HZ3      LYS  26   2.069   6.077   7.408
  209    HA   4PH  27           HA       4PH  27   5.781   1.222   0.984
  210    HB2  4PH  27           HB1      4PH  27   3.338   0.989  -0.756
  211    HB3  4PH  27           HB2      4PH  27   3.724   0.092   0.703
  212    HD2  4PH  27           HD2      4PH  27   3.706   0.040  -2.818
  213    HD1  4PH  27           HD1      4PH  27   5.794  -1.484   0.561
  214    HE2  4PH  27           HE2      4PH  27   4.623  -1.762  -4.206
  215    HE1  4PH  27           HE1      4PH  27   6.718  -3.296  -0.828
  216    H33  4PH  27           H33      4PH  27   6.441  -4.517  -2.787
  217   H33A  4PH  27          H33A      4PH  27   5.573  -3.880  -4.187
  218   H33B  4PH  27          H33B      4PH  27   7.200  -3.303  -3.808
  219    H    4PH  27           HN       4PH  27   3.515   2.839   0.652
  220    H    GLN  28           HN       GLN  28   4.607   3.000  -1.866
  221    HA   GLN  28           HA       GLN  28   6.601   2.085  -3.634
  222    HB2  GLN  28           HB2      GLN  28   4.955   4.619  -3.689
  223    HB3  GLN  28           HB1      GLN  28   5.983   4.078  -5.011
  224    HG2  GLN  28           HG2      GLN  28   3.604   2.589  -3.905
  225    HG3  GLN  28           HG1      GLN  28   3.638   3.519  -5.398
  226   HE21  GLN  28          HE21      GLN  28   3.031   0.715  -4.997
  227   HE22  GLN  28          HE22      GLN  28   4.154  -0.172  -5.961
  228    H    LYS  29           HN       LYS  29   6.541   4.651  -1.284
  229    HA   LYS  29           HA       LYS  29   8.938   5.921  -2.186
  230    HB2  LYS  29           HB2      LYS  29   7.225   7.113  -0.864
  231    HB3  LYS  29           HB1      LYS  29   7.560   6.065   0.505
  232    HG2  LYS  29           HG2      LYS  29   8.621   8.236   0.764
  233    HG3  LYS  29           HG1      LYS  29   9.818   6.947   0.656
  234    HD2  LYS  29           HD2      LYS  29  10.494   8.895  -0.652
  235    HD3  LYS  29           HD1      LYS  29  10.211   7.500  -1.693
  236    HE2  LYS  29           HE2      LYS  29   8.029   8.376  -2.305
  237    HE3  LYS  29           HE1      LYS  29   8.245   9.739  -1.209
  238    HZ1  LYS  29           HZ1      LYS  29  10.110  10.481  -2.543
  239    HZ2  LYS  29           HZ2      LYS  29   8.725  10.339  -3.505
  240    HZ3  LYS  29           HZ3      LYS  29   9.932   9.158  -3.582
  241    H    ASP  30           HN       ASP  30   8.154   3.701   0.486
  242    HA   ASP  30           HA       ASP  30  10.799   3.507   1.467
  243    HB2  ASP  30           HB2      ASP  30   8.627   2.842   2.654
  244    HB3  ASP  30           HB1      ASP  30   8.702   1.346   1.729
  245    H    LEU  31           HN       LEU  31   8.989   1.685  -0.930
  246    HA   LEU  31           HA       LEU  31  10.816  -0.405  -1.351
  247    HB2  LEU  31           HB2      LEU  31   8.364  -0.017  -2.194
  248    HB3  LEU  31           HB1      LEU  31   9.145   0.760  -3.552
  249    HG   LEU  31           HG       LEU  31   8.477  -1.605  -3.953
  250   HD11  LEU  31          HD11      LEU  31  10.192  -0.614  -5.330
  251   HD12  LEU  31          HD12      LEU  31  10.591  -2.300  -4.993
  252   HD13  LEU  31          HD13      LEU  31  11.420  -1.006  -4.127
  253   HD21  LEU  31          HD21      LEU  31   8.981  -2.399  -1.672
  254   HD22  LEU  31          HD22      LEU  31  10.704  -2.261  -2.041
  255   HD23  LEU  31          HD23      LEU  31   9.699  -3.396  -2.939
  256    H    ALA  32           HN       ALA  32  10.496   2.775  -2.838
  257    HA   ALA  32           HA       ALA  32  12.493   2.493  -4.788
  258    HB1  ALA  32           HB1      ALA  32  11.564   5.016  -3.432
  259    HB2  ALA  32           HB2      ALA  32  10.769   4.247  -4.805
  260    HB3  ALA  32           HB3      ALA  32  12.397   4.901  -4.983
  261    H    ASP  33           HN       ASP  33  12.599   3.684  -1.469
  262    HA   ASP  33           HA       ASP  33  15.362   4.417  -1.575
  263    HB2  ASP  33           HB2      ASP  33  13.753   5.449   0.005
  264    HB3  ASP  33           HB1      ASP  33  13.620   3.910   0.848
  265    HA   4PH  34           HA       4PH  34  15.722   0.150   0.472
  266    HB2  4PH  34           HB1      4PH  34  13.320  -0.976  -0.979
  267    HB3  4PH  34           HB2      4PH  34  13.314  -0.422   0.687
  268    HD2  4PH  34           HD2      4PH  34  15.143  -1.556   2.219
  269    HD1  4PH  34           HD1      4PH  34  13.582  -3.226  -1.369
  270    HE2  4PH  34           HE2      4PH  34  15.771  -3.806   2.994
  271    HE1  4PH  34           HE1      4PH  34  14.204  -5.474  -0.604
  272    H33  4PH  34           H33      4PH  34  15.309  -6.085   2.758
  273   H33A  4PH  34          H33A      4PH  34  14.679  -6.773   1.258
  274   H33B  4PH  34          H33B      4PH  34  16.372  -6.275   1.369
  275    H    4PH  34           HN       4PH  34  13.628   1.511  -0.912
  276    HN1  NH2  35           HN1      NH2  35  14.883   0.678  -2.824
  277    HN2  NH2  35           HN2      NH2  35  16.117  -0.303  -3.533
  Start of MODEL   16
    1    H1   ACE   0           HA1      ACE   0  13.534  -1.716   3.912
    2    H2   ACE   0           HA2      ACE   0  14.956  -1.960   4.921
    3    H3   ACE   0           HA3      ACE   0  13.851  -0.643   5.308
    4    HA   PRO   1           HA       PRO   1  12.753  -4.002   3.397
    5    HB2  PRO   1           HB2      PRO   1  11.745  -6.381   4.874
    6    HB3  PRO   1           HB1      PRO   1  12.749  -6.305   3.412
    7    HG2  PRO   1           HG2      PRO   1  13.781  -7.022   5.747
    8    HG3  PRO   1           HG1      PRO   1  14.699  -6.037   4.587
    9    HD2  PRO   1           HD2      PRO   1  13.329  -5.193   7.107
   10    HD3  PRO   1           HD1      PRO   1  14.857  -4.625   6.399
   11    HA   PRO   2           HA       PRO   2   8.678  -2.462   4.538
   12    HB2  PRO   2           HB2      PRO   2   7.942  -1.715   2.016
   13    HB3  PRO   2           HB1      PRO   2   9.017  -0.734   3.032
   14    HG2  PRO   2           HG2      PRO   2   9.679  -2.542   0.775
   15    HG3  PRO   2           HG1      PRO   2  10.396  -0.986   1.236
   16    HD2  PRO   2           HD2      PRO   2  11.544  -3.414   1.778
   17    HD3  PRO   2           HD1      PRO   2  11.834  -1.946   2.732
   18    H    THR   3           HN       THR   3   6.782  -3.518   4.664
   19    HA   THR   3           HA       THR   3   6.421  -5.915   3.048
   20    HB   THR   3           HB       THR   3   4.415  -6.198   4.673
   21    HG1  THR   3           HG1      THR   3   4.207  -4.499   5.925
   22   HG21  THR   3          HG21      THR   3   6.440  -7.572   4.731
   23   HG22  THR   3          HG22      THR   3   5.862  -7.217   6.357
   24   HG23  THR   3          HG23      THR   3   7.250  -6.346   5.706
   25    H    LYS   4           HN       LYS   4   5.006  -6.032   1.442
   26    HA   LYS   4           HA       LYS   4   3.565  -3.697   0.626
   27    HB2  LYS   4           HB2      LYS   4   2.959  -4.935  -1.332
   28    HB3  LYS   4           HB1      LYS   4   4.622  -5.361  -0.953
   29    HG2  LYS   4           HG2      LYS   4   3.837  -7.430   0.098
   30    HG3  LYS   4           HG1      LYS   4   2.180  -7.008  -0.341
   31    HD2  LYS   4           HD2      LYS   4   2.803  -7.043  -2.708
   32    HD3  LYS   4           HD1      LYS   4   4.462  -7.444  -2.268
   33    HE2  LYS   4           HE2      LYS   4   3.629  -9.514  -1.193
   34    HE3  LYS   4           HE1      LYS   4   2.009  -9.124  -1.766
   35    HZ1  LYS   4           HZ1      LYS   4   2.811  -9.237  -4.031
   36    HZ2  LYS   4           HZ2      LYS   4   3.129 -10.691  -3.224
   37    HZ3  LYS   4           HZ3      LYS   4   4.378  -9.581  -3.492
   38    HA   PRO   5           HA       PRO   5  -0.333  -4.790   2.469
   39    HB2  PRO   5           HB2      PRO   5  -1.899  -3.011   1.243
   40    HB3  PRO   5           HB1      PRO   5  -0.639  -2.478   2.366
   41    HG2  PRO   5           HG2      PRO   5  -0.612  -2.482  -0.611
   42    HG3  PRO   5           HG1      PRO   5  -0.032  -1.247   0.524
   43    HD2  PRO   5           HD2      PRO   5   1.580  -3.110  -0.717
   44    HD3  PRO   5           HD1      PRO   5   1.987  -2.274   0.796
   45    H    THR   6           HN       THR   6  -2.369  -5.741   1.912
   46    HA   THR   6           HA       THR   6  -2.208  -7.301  -0.525
   47    HB   THR   6           HB       THR   6  -2.783  -8.380   1.652
   48    HG1  THR   6           HG1      THR   6  -4.030  -9.801   0.622
   49   HG21  THR   6          HG21      THR   6  -5.067  -8.149   2.510
   50   HG22  THR   6          HG22      THR   6  -5.380  -6.883   1.324
   51   HG23  THR   6          HG23      THR   6  -4.186  -6.624   2.594
   52    H    LYS   7           HN       LYS   7  -3.699  -7.316  -2.148
   53    HA   LYS   7           HA       LYS   7  -4.905  -4.887  -2.870
   54    HB2  LYS   7           HB2      LYS   7  -5.566  -7.650  -3.911
   55    HB3  LYS   7           HB1      LYS   7  -5.888  -6.129  -4.724
   56    HG2  LYS   7           HG2      LYS   7  -3.144  -7.187  -4.084
   57    HG3  LYS   7           HG1      LYS   7  -3.950  -7.354  -5.641
   58    HD2  LYS   7           HD2      LYS   7  -3.204  -4.753  -4.302
   59    HD3  LYS   7           HD1      LYS   7  -2.351  -5.505  -5.649
   60    HE2  LYS   7           HE2      LYS   7  -5.212  -4.542  -5.703
   61    HE3  LYS   7           HE1      LYS   7  -3.833  -3.684  -6.378
   62    HZ1  LYS   7           HZ1      LYS   7  -3.479  -5.517  -7.907
   63    HZ2  LYS   7           HZ2      LYS   7  -5.042  -4.893  -8.078
   64    HZ3  LYS   7           HZ3      LYS   7  -4.800  -6.350  -7.256
   65    HA   PRO   8           HA       PRO   8  -8.634  -5.336  -0.355
   66    HB2  PRO   8           HB2      PRO   8  -9.403  -2.837  -1.714
   67    HB3  PRO   8           HB1      PRO   8  -9.193  -3.155   0.022
   68    HG2  PRO   8           HG2      PRO   8  -7.482  -1.631  -1.358
   69    HG3  PRO   8           HG1      PRO   8  -6.953  -2.668  -0.019
   70    HD2  PRO   8           HD2      PRO   8  -6.710  -3.123  -2.968
   71    HD3  PRO   8           HD1      PRO   8  -5.550  -3.479  -1.667
   72    H    GLY   9           HN       GLY   9  -9.944  -6.857  -1.169
   73    HA2  GLY   9           HA2      GLY   9 -11.167  -6.416  -3.802
   74    HA3  GLY   9           HA1      GLY   9 -11.155  -7.940  -2.921
   75    H    ASP  10           HN       ASP  10 -12.268  -7.783  -0.729
   76    HA   ASP  10           HA       ASP  10 -14.955  -6.829  -1.204
   77    HB2  ASP  10           HB2      ASP  10 -14.698  -9.016  -0.211
   78    HB3  ASP  10           HB1      ASP  10 -13.727  -8.356   1.098
   79    H    ASN  11           HN       ASN  11 -12.237  -6.035   0.845
   80    HA   ASN  11           HA       ASN  11 -13.715  -4.054   2.349
   81    HB2  ASN  11           HB2      ASN  11 -11.644  -3.692   3.567
   82    HB3  ASN  11           HB1      ASN  11 -11.947  -5.419   3.425
   83   HD21  ASN  11          HD21      ASN  11  -9.854  -2.817   2.635
   84   HD22  ASN  11          HD22      ASN  11  -8.622  -3.756   1.875
   85    H    ALA  12           HN       ALA  12 -12.974  -3.953  -0.661
   86    HA   ALA  12           HA       ALA  12 -11.208  -1.735  -0.976
   87    HB1  ALA  12           HB1      ALA  12 -11.359  -3.487  -2.641
   88    HB2  ALA  12           HB2      ALA  12 -11.757  -1.917  -3.343
   89    HB3  ALA  12           HB3      ALA  12 -13.042  -3.061  -2.951
   90    H    THR  13           HN       THR  13 -13.697  -1.254   0.601
   91    HA   THR  13           HA       THR  13 -15.537   0.303  -0.822
   92    HB   THR  13           HB       THR  13 -15.934   1.379   1.471
   93    HG1  THR  13           HG1      THR  13 -14.007   1.007   2.508
   94   HG21  THR  13          HG21      THR  13 -17.276  -0.469   0.606
   95   HG22  THR  13          HG22      THR  13 -17.006  -0.651   2.337
   96   HG23  THR  13          HG23      THR  13 -16.083  -1.625   1.194
   97    HA   PRO  14           HA       PRO  14 -13.541   3.701  -2.574
   98    HB2  PRO  14           HB2      PRO  14 -15.517   5.314  -0.995
   99    HB3  PRO  14           HB1      PRO  14 -15.061   5.457  -2.705
  100    HG2  PRO  14           HG2      PRO  14 -17.298   4.209  -1.911
  101    HG3  PRO  14           HG1      PRO  14 -16.387   3.732  -3.359
  102    HD2  PRO  14           HD2      PRO  14 -16.725   2.283  -0.844
  103    HD3  PRO  14           HD1      PRO  14 -16.075   1.707  -2.387
  104    H    GLU  15           HN       GLU  15 -14.479   4.781   0.725
  105    HA   GLU  15           HA       GLU  15 -12.357   6.629   0.878
  106    HB2  GLU  15           HB2      GLU  15 -14.035   5.396   3.059
  107    HB3  GLU  15           HB1      GLU  15 -12.884   6.694   3.330
  108    HG2  GLU  15           HG2      GLU  15 -14.165   8.060   1.680
  109    HG3  GLU  15           HG1      GLU  15 -15.369   6.774   1.650
  110    H    LYS  16           HN       LYS  16 -12.673   3.335   2.064
  111    HA   LYS  16           HA       LYS  16 -10.158   3.316   3.412
  112    HB2  LYS  16           HB2      LYS  16 -12.044   1.823   4.011
  113    HB3  LYS  16           HB1      LYS  16 -11.860   0.995   2.468
  114    HG2  LYS  16           HG2      LYS  16  -9.661   0.217   3.117
  115    HG3  LYS  16           HG1      LYS  16  -9.766   1.116   4.632
  116    HD2  LYS  16           HD2      LYS  16 -11.596  -1.133   3.791
  117    HD3  LYS  16           HD1      LYS  16 -10.274  -1.264   4.951
  118    HE2  LYS  16           HE2      LYS  16 -11.386   0.361   6.404
  119    HE3  LYS  16           HE1      LYS  16 -12.703   0.503   5.243
  120    HZ1  LYS  16           HZ1      LYS  16 -13.210  -1.832   5.592
  121    HZ2  LYS  16           HZ2      LYS  16 -13.285  -0.978   7.046
  122    HZ3  LYS  16           HZ3      LYS  16 -11.952  -1.962   6.714
  123    H    LEU  17           HN       LEU  17 -11.304   2.547   0.216
  124    HA   LEU  17           HA       LEU  17  -8.975   1.283  -0.773
  125    HB2  LEU  17           HB2      LEU  17 -11.194   1.166  -1.851
  126    HB3  LEU  17           HB1      LEU  17 -11.083   2.871  -2.237
  127    HG   LEU  17           HG       LEU  17  -9.182   2.415  -3.721
  128   HD11  LEU  17          HD11      LEU  17  -8.270   0.468  -2.589
  129   HD12  LEU  17          HD12      LEU  17  -8.611   0.099  -4.277
  130   HD13  LEU  17          HD13      LEU  17  -9.700  -0.466  -3.012
  131   HD21  LEU  17          HD21      LEU  17 -11.440   2.419  -4.621
  132   HD22  LEU  17          HD22      LEU  17 -11.611   0.708  -4.227
  133   HD23  LEU  17          HD23      LEU  17 -10.445   1.219  -5.448
  134    H    ALA  18           HN       ALA  18 -10.063   4.613  -0.602
  135    HA   ALA  18           HA       ALA  18  -7.896   5.773  -2.005
  136    HB1  ALA  18           HB1      ALA  18  -9.729   6.972   0.063
  137    HB2  ALA  18           HB2      ALA  18 -10.003   6.943  -1.678
  138    HB3  ALA  18           HB3      ALA  18  -8.664   7.878  -1.013
  139    H    LYS  19           HN       LYS  19  -8.539   5.135   1.411
  140    HA   LYS  19           HA       LYS  19  -6.164   6.238   2.441
  141    HB2  LYS  19           HB2      LYS  19  -8.170   5.572   3.788
  142    HB3  LYS  19           HB1      LYS  19  -7.713   3.890   3.555
  143    HG2  LYS  19           HG2      LYS  19  -5.597   4.313   4.706
  144    HG3  LYS  19           HG1      LYS  19  -6.082   5.988   4.970
  145    HD2  LYS  19           HD2      LYS  19  -8.033   5.190   6.245
  146    HD3  LYS  19           HD1      LYS  19  -7.481   3.530   6.020
  147    HE2  LYS  19           HE2      LYS  19  -5.999   5.727   7.463
  148    HE3  LYS  19           HE1      LYS  19  -6.837   4.370   8.216
  149    HZ1  LYS  19           HZ1      LYS  19  -4.419   4.251   6.499
  150    HZ2  LYS  19           HZ2      LYS  19  -5.277   2.886   7.001
  151    HZ3  LYS  19           HZ3      LYS  19  -4.523   3.876   8.144
  152    HA   4PH  20           HA       4PH  20  -4.541   1.745   1.643
  153    HB2  4PH  20           HB1      4PH  20  -6.559   1.501  -0.584
  154    HB3  4PH  20           HB2      4PH  20  -6.436   0.512   0.863
  155    HD2  4PH  20           HD2      4PH  20  -4.297  -0.906   1.114
  156    HD1  4PH  20           HD1      4PH  20  -5.608   0.794  -2.554
  157    HE2  4PH  20           HE2      4PH  20  -2.956  -2.546  -0.127
  158    HE1  4PH  20           HE1      4PH  20  -4.264  -0.843  -3.799
  159    H33  4PH  20           H33      4PH  20  -2.721  -3.644  -2.171
  160   H33A  4PH  20          H33A      4PH  20  -3.230  -2.907  -3.696
  161   H33B  4PH  20          H33B      4PH  20  -1.773  -2.338  -2.874
  162    H    4PH  20           HN       4PH  20  -6.940   3.083   1.114
  163    H    GLN  21           HN       GLN  21  -5.477   3.849  -1.056
  164    HA   GLN  21           HA       GLN  21  -3.099   3.560  -2.528
  165    HB2  GLN  21           HB2      GLN  21  -4.974   5.926  -2.434
  166    HB3  GLN  21           HB1      GLN  21  -3.760   5.627  -3.674
  167    HG2  GLN  21           HG2      GLN  21  -6.155   3.906  -3.076
  168    HG3  GLN  21           HG1      GLN  21  -5.966   4.994  -4.449
  169   HE21  GLN  21          HE21      GLN  21  -6.411   2.080  -4.295
  170   HE22  GLN  21          HE22      GLN  21  -5.139   1.371  -5.218
  171    H    ALA  22           HN       ALA  22  -3.933   5.505   0.230
  172    HA   ALA  22           HA       ALA  22  -1.671   7.216   0.176
  173    HB1  ALA  22           HB1      ALA  22  -3.358   6.359   2.521
  174    HB2  ALA  22           HB2      ALA  22  -3.697   7.724   1.458
  175    HB3  ALA  22           HB3      ALA  22  -2.258   7.738   2.478
  176    H    ASP  23           HN       ASP  23  -2.350   4.081   1.653
  177    HA   ASP  23           HA       ASP  23   0.155   3.885   3.006
  178    HB2  ASP  23           HB2      ASP  23  -1.798   2.531   3.699
  179    HB3  ASP  23           HB1      ASP  23  -1.719   1.650   2.177
  180    H    LEU  24           HN       LEU  24  -1.034   2.877  -0.166
  181    HA   LEU  24           HA       LEU  24   1.251   1.535  -1.039
  182    HB2  LEU  24           HB2      LEU  24  -0.912   3.030  -2.441
  183    HB3  LEU  24           HB1      LEU  24   0.518   2.574  -3.347
  184    HG   LEU  24           HG       LEU  24  -1.350   0.669  -1.927
  185   HD11  LEU  24          HD11      LEU  24  -2.350   1.612  -3.922
  186   HD12  LEU  24          HD12      LEU  24  -1.885  -0.062  -4.223
  187   HD13  LEU  24          HD13      LEU  24  -0.895   1.255  -4.851
  188   HD21  LEU  24          HD21      LEU  24  -0.028  -1.069  -3.122
  189   HD22  LEU  24          HD22      LEU  24   0.889  -0.220  -1.880
  190   HD23  LEU  24          HD23      LEU  24   1.130   0.181  -3.579
  191    H    ALA  25           HN       ALA  25   0.495   4.979  -0.972
  192    HA   ALA  25           HA       ALA  25   2.693   5.905  -2.440
  193    HB1  ALA  25           HB1      ALA  25   2.316   8.046  -1.358
  194    HB2  ALA  25           HB2      ALA  25   1.316   7.272  -0.130
  195    HB3  ALA  25           HB3      ALA  25   0.780   7.310  -1.810
  196    H    LYS  26           HN       LYS  26   2.372   5.049   0.958
  197    HA   LYS  26           HA       LYS  26   4.988   5.856   1.733
  198    HB2  LYS  26           HB2      LYS  26   3.114   3.824   2.963
  199    HB3  LYS  26           HB1      LYS  26   4.574   4.432   3.724
  200    HG2  LYS  26           HG2      LYS  26   3.650   6.614   3.933
  201    HG3  LYS  26           HG1      LYS  26   2.277   6.192   2.908
  202    HD2  LYS  26           HD2      LYS  26   1.552   6.178   5.196
  203    HD3  LYS  26           HD1      LYS  26   1.592   4.517   4.610
  204    HE2  LYS  26           HE2      LYS  26   2.516   4.541   6.812
  205    HE3  LYS  26           HE1      LYS  26   3.834   4.273   5.675
  206    HZ1  LYS  26           HZ1      LYS  26   4.428   6.601   5.862
  207    HZ2  LYS  26           HZ2      LYS  26   4.429   5.873   7.385
  208    HZ3  LYS  26           HZ3      LYS  26   3.147   6.874   6.928
  209    HA   4PH  27           HA       4PH  27   5.784   1.171   1.069
  210    HB2  4PH  27           HB1      4PH  27   3.314   0.937  -0.641
  211    HB3  4PH  27           HB2      4PH  27   3.657   0.118   0.875
  212    HD2  4PH  27           HD2      4PH  27   3.479  -0.280  -2.567
  213    HD1  4PH  27           HD1      4PH  27   5.849  -1.413   0.775
  214    HE2  4PH  27           HE2      4PH  27   4.321  -2.209  -3.828
  215    HE1  4PH  27           HE1      4PH  27   6.699  -3.350  -0.481
  216    H33  4PH  27           H33      4PH  27   6.936  -3.691  -3.482
  217   H33A  4PH  27          H33A      4PH  27   6.280  -4.788  -2.264
  218   H33B  4PH  27          H33B      4PH  27   5.296  -4.302  -3.653
  219    H    4PH  27           HN       4PH  27   3.526   2.808   0.742
  220    H    GLN  28           HN       GLN  28   4.581   2.965  -1.740
  221    HA   GLN  28           HA       GLN  28   6.436   1.978  -3.603
  222    HB2  GLN  28           HB2      GLN  28   4.914   4.587  -3.514
  223    HB3  GLN  28           HB1      GLN  28   5.886   4.076  -4.890
  224    HG2  GLN  28           HG2      GLN  28   4.463   2.176  -5.265
  225    HG3  GLN  28           HG1      GLN  28   3.571   2.494  -3.779
  226   HE21  GLN  28          HE21      GLN  28   2.632   2.293  -6.531
  227   HE22  GLN  28          HE22      GLN  28   1.841   3.787  -6.880
  228    H    LYS  29           HN       LYS  29   6.564   4.764  -1.441
  229    HA   LYS  29           HA       LYS  29   8.988   5.809  -2.480
  230    HB2  LYS  29           HB2      LYS  29   7.362   7.166  -1.211
  231    HB3  LYS  29           HB1      LYS  29   7.721   6.233   0.234
  232    HG2  LYS  29           HG2      LYS  29   8.848   8.408   0.208
  233    HG3  LYS  29           HG1      LYS  29   9.988   7.062   0.254
  234    HD2  LYS  29           HD2      LYS  29  10.411   7.291  -2.114
  235    HD3  LYS  29           HD1      LYS  29   9.183   8.552  -2.243
  236    HE2  LYS  29           HE2      LYS  29  10.485  10.034  -0.875
  237    HE3  LYS  29           HE1      LYS  29  11.652   8.760  -0.525
  238    HZ1  LYS  29           HZ1      LYS  29  11.132   9.890  -3.220
  239    HZ2  LYS  29           HZ2      LYS  29  12.302   8.735  -2.829
  240    HZ3  LYS  29           HZ3      LYS  29  12.435  10.310  -2.228
  241    H    ASP  30           HN       ASP  30   8.223   3.752   0.313
  242    HA   ASP  30           HA       ASP  30  10.902   3.577   1.244
  243    HB2  ASP  30           HB2      ASP  30   8.662   3.022   2.468
  244    HB3  ASP  30           HB1      ASP  30   8.855   1.429   1.746
  245    H    LEU  31           HN       LEU  31   8.969   1.696  -1.005
  246    HA   LEU  31           HA       LEU  31  10.785  -0.443  -1.368
  247    HB2  LEU  31           HB2      LEU  31   8.270  -0.132  -2.072
  248    HB3  LEU  31           HB1      LEU  31   8.961   0.532  -3.535
  249    HG   LEU  31           HG       LEU  31   8.304  -1.828  -3.766
  250   HD11  LEU  31          HD11      LEU  31  10.068  -0.983  -5.193
  251   HD12  LEU  31          HD12      LEU  31  10.375  -2.662  -4.756
  252   HD13  LEU  31          HD13      LEU  31  11.272  -1.367  -3.964
  253   HD21  LEU  31          HD21      LEU  31   8.757  -2.484  -1.444
  254   HD22  LEU  31          HD22      LEU  31  10.487  -2.381  -1.771
  255   HD23  LEU  31          HD23      LEU  31   9.501  -3.572  -2.614
  256    H    ALA  32           HN       ALA  32  10.331   2.652  -2.994
  257    HA   ALA  32           HA       ALA  32  12.145   2.309  -5.092
  258    HB1  ALA  32           HB1      ALA  32  11.399   4.866  -3.685
  259    HB2  ALA  32           HB2      ALA  32  10.487   4.114  -4.995
  260    HB3  ALA  32           HB3      ALA  32  12.114   4.729  -5.293
  261    H    ASP  33           HN       ASP  33  12.606   3.333  -1.772
  262    HA   ASP  33           HA       ASP  33  15.377   3.991  -2.131
  263    HB2  ASP  33           HB2      ASP  33  14.084   5.072  -0.361
  264    HB3  ASP  33           HB1      ASP  33  13.786   3.512   0.399
  265    HA   4PH  34           HA       4PH  34  15.750  -0.307  -0.129
  266    HB2  4PH  34           HB1      4PH  34  13.154  -1.374  -1.244
  267    HB3  4PH  34           HB2      4PH  34  13.334  -0.740   0.384
  268    HD2  4PH  34           HD2      4PH  34  13.103  -3.661  -1.389
  269    HD1  4PH  34           HD1      4PH  34  15.495  -1.841   1.621
  270    HE2  4PH  34           HE2      4PH  34  13.758  -5.883  -0.573
  271    HE1  4PH  34           HE1      4PH  34  16.154  -4.061   2.448
  272    H33  4PH  34           H33      4PH  34  14.570  -7.069   1.262
  273   H33A  4PH  34          H33A      4PH  34  16.265  -6.691   0.941
  274   H33B  4PH  34          H33B      4PH  34  15.549  -6.313   2.513
  275    H    4PH  34           HN       4PH  34  13.562   1.161  -1.191
  276    HN1  NH2  35           HN1      NH2  35  14.204  -0.137  -3.274
  277    HN2  NH2  35           HN2      NH2  35  15.398  -1.049  -4.128
  Start of MODEL   17
    1    H1   ACE   0           HA1      ACE   0  13.956  -3.413   5.875
    2    H2   ACE   0           HA2      ACE   0  13.267  -3.555   4.259
    3    H3   ACE   0           HA3      ACE   0  14.642  -4.567   4.691
    4    HA   PRO   1           HA       PRO   1  12.624  -5.565   2.754
    5    HB2  PRO   1           HB2      PRO   1  10.859  -7.735   2.577
    6    HB3  PRO   1           HB1      PRO   1  12.598  -7.793   2.225
    7    HG2  PRO   1           HG2      PRO   1  11.140  -8.603   4.680
    8    HG3  PRO   1           HG1      PRO   1  12.569  -9.330   3.914
    9    HD2  PRO   1           HD2      PRO   1  12.792  -7.823   6.120
   10    HD3  PRO   1           HD1      PRO   1  14.023  -7.784   4.840
   11    HA   PRO   2           HA       PRO   2   8.871  -3.336   3.768
   12    HB2  PRO   2           HB2      PRO   2   8.621  -2.082   1.339
   13    HB3  PRO   2           HB1      PRO   2   9.722  -1.525   2.617
   14    HG2  PRO   2           HG2      PRO   2  10.312  -3.077   0.161
   15    HG3  PRO   2           HG1      PRO   2  11.258  -1.809   0.962
   16    HD2  PRO   2           HD2      PRO   2  11.823  -4.470   1.179
   17    HD3  PRO   2           HD1      PRO   2  12.228  -3.277   2.428
   18    H    THR   3           HN       THR   3   7.176  -4.694   3.878
   19    HA   THR   3           HA       THR   3   6.450  -6.358   1.648
   20    HB   THR   3           HB       THR   3   4.634  -7.155   3.179
   21    HG1  THR   3           HG1      THR   3   5.223  -6.380   5.487
   22   HG21  THR   3          HG21      THR   3   7.392  -7.179   4.410
   23   HG22  THR   3          HG22      THR   3   6.867  -8.224   3.092
   24   HG23  THR   3          HG23      THR   3   6.106  -8.356   4.676
   25    H    LYS   4           HN       LYS   4   4.799  -6.053   0.264
   26    HA   LYS   4           HA       LYS   4   3.452  -3.504   0.297
   27    HB2  LYS   4           HB2      LYS   4   2.485  -4.200  -1.854
   28    HB3  LYS   4           HB1      LYS   4   4.233  -4.383  -1.839
   29    HG2  LYS   4           HG2      LYS   4   4.016  -6.761  -1.524
   30    HG3  LYS   4           HG1      LYS   4   2.260  -6.610  -1.421
   31    HD2  LYS   4           HD2      LYS   4   2.211  -5.761  -3.723
   32    HD3  LYS   4           HD1      LYS   4   3.966  -5.919  -3.816
   33    HE2  LYS   4           HE2      LYS   4   2.006  -8.172  -3.391
   34    HE3  LYS   4           HE1      LYS   4   2.833  -7.795  -4.900
   35    HZ1  LYS   4           HZ1      LYS   4   4.089  -8.693  -2.367
   36    HZ2  LYS   4           HZ2      LYS   4   4.955  -8.192  -3.730
   37    HZ3  LYS   4           HZ3      LYS   4   3.973  -9.565  -3.810
   38    HA   PRO   5           HA       PRO   5  -0.303  -4.954   2.178
   39    HB2  PRO   5           HB2      PRO   5  -2.095  -3.233   1.111
   40    HB3  PRO   5           HB1      PRO   5  -0.892  -2.709   2.302
   41    HG2  PRO   5           HG2      PRO   5  -0.833  -2.438  -0.669
   42    HG3  PRO   5           HG1      PRO   5  -0.434  -1.239   0.579
   43    HD2  PRO   5           HD2      PRO   5   1.461  -2.651  -0.727
   44    HD3  PRO   5           HD1      PRO   5   1.653  -2.133   0.964
   45    H    THR   6           HN       THR   6  -2.321  -5.989   1.683
   46    HA   THR   6           HA       THR   6  -2.234  -7.376  -0.862
   47    HB   THR   6           HB       THR   6  -2.620  -8.671   1.183
   48    HG1  THR   6           HG1      THR   6  -5.048  -9.178   0.173
   49   HG21  THR   6          HG21      THR   6  -5.167  -7.075   1.375
   50   HG22  THR   6          HG22      THR   6  -3.831  -7.079   2.523
   51   HG23  THR   6          HG23      THR   6  -4.820  -8.522   2.317
   52    H    LYS   7           HN       LYS   7  -4.003  -7.523  -2.277
   53    HA   LYS   7           HA       LYS   7  -5.137  -5.025  -2.934
   54    HB2  LYS   7           HB2      LYS   7  -5.961  -7.756  -3.931
   55    HB3  LYS   7           HB1      LYS   7  -6.293  -6.221  -4.713
   56    HG2  LYS   7           HG2      LYS   7  -3.547  -7.378  -4.288
   57    HG3  LYS   7           HG1      LYS   7  -4.475  -7.479  -5.783
   58    HD2  LYS   7           HD2      LYS   7  -4.557  -4.949  -5.746
   59    HD3  LYS   7           HD1      LYS   7  -3.353  -5.027  -4.455
   60    HE2  LYS   7           HE2      LYS   7  -2.300  -4.682  -6.630
   61    HE3  LYS   7           HE1      LYS   7  -1.829  -6.228  -5.925
   62    HZ1  LYS   7           HZ1      LYS   7  -2.355  -6.390  -8.298
   63    HZ2  LYS   7           HZ2      LYS   7  -3.939  -5.881  -7.989
   64    HZ3  LYS   7           HZ3      LYS   7  -3.383  -7.349  -7.362
   65    HA   PRO   8           HA       PRO   8  -8.744  -5.226  -0.235
   66    HB2  PRO   8           HB2      PRO   8  -9.652  -2.990  -1.959
   67    HB3  PRO   8           HB1      PRO   8  -9.446  -3.043  -0.195
   68    HG2  PRO   8           HG2      PRO   8  -7.771  -1.676  -1.739
   69    HG3  PRO   8           HG1      PRO   8  -7.199  -2.555  -0.306
   70    HD2  PRO   8           HD2      PRO   8  -7.000  -3.320  -3.196
   71    HD3  PRO   8           HD1      PRO   8  -5.806  -3.506  -1.889
   72    H    GLY   9           HN       GLY   9 -10.289  -6.682  -0.552
   73    HA2  GLY   9           HA2      GLY   9 -11.450  -6.979  -3.237
   74    HA3  GLY   9           HA1      GLY   9 -11.520  -8.181  -1.956
   75    H    ASP  10           HN       ASP  10 -12.748  -7.490   0.015
   76    HA   ASP  10           HA       ASP  10 -15.299  -6.360  -0.811
   77    HB2  ASP  10           HB2      ASP  10 -15.283  -8.418   0.547
   78    HB3  ASP  10           HB1      ASP  10 -14.448  -7.562   1.840
   79    H    ASN  11           HN       ASN  11 -12.541  -5.617   1.143
   80    HA   ASN  11           HA       ASN  11 -13.714  -3.307   2.401
   81    HB2  ASN  11           HB2      ASN  11 -11.474  -2.930   3.333
   82    HB3  ASN  11           HB1      ASN  11 -11.992  -4.594   3.579
   83   HD21  ASN  11          HD21      ASN  11  -9.306  -3.371   3.480
   84   HD22  ASN  11          HD22      ASN  11  -8.438  -4.261   2.282
   85    H    ALA  12           HN       ALA  12 -13.113  -3.733  -0.661
   86    HA   ALA  12           HA       ALA  12 -11.357  -1.580  -1.329
   87    HB1  ALA  12           HB1      ALA  12 -13.270  -3.091  -3.094
   88    HB2  ALA  12           HB2      ALA  12 -11.608  -3.567  -2.745
   89    HB3  ALA  12           HB3      ALA  12 -11.932  -2.070  -3.624
   90    H    THR  13           HN       THR  13 -13.883  -1.072   0.249
   91    HA   THR  13           HA       THR  13 -15.620   0.569  -1.220
   92    HB   THR  13           HB       THR  13 -16.014   1.689   1.023
   93    HG1  THR  13           HG1      THR  13 -13.694   0.496   1.552
   94   HG21  THR  13          HG21      THR  13 -17.137  -0.239   1.975
   95   HG22  THR  13          HG22      THR  13 -16.161  -1.327   0.987
   96   HG23  THR  13          HG23      THR  13 -17.324  -0.245   0.223
   97    HA   PRO  14           HA       PRO  14 -13.311   3.981  -2.691
   98    HB2  PRO  14           HB2      PRO  14 -15.412   5.609  -1.306
   99    HB3  PRO  14           HB1      PRO  14 -14.783   5.756  -2.959
  100    HG2  PRO  14           HG2      PRO  14 -17.128   4.605  -2.465
  101    HG3  PRO  14           HG1      PRO  14 -16.049   4.030  -3.757
  102    HD2  PRO  14           HD2      PRO  14 -16.718   2.754  -1.178
  103    HD3  PRO  14           HD1      PRO  14 -16.098   2.027  -2.670
  104    H    GLU  15           HN       GLU  15 -14.463   4.315   0.662
  105    HA   GLU  15           HA       GLU  15 -12.619   6.374   1.322
  106    HB2  GLU  15           HB2      GLU  15 -14.243   4.532   3.078
  107    HB3  GLU  15           HB1      GLU  15 -13.296   5.885   3.680
  108    HG2  GLU  15           HG2      GLU  15 -14.659   7.402   2.285
  109    HG3  GLU  15           HG1      GLU  15 -15.641   6.019   1.806
  110    H    LYS  16           HN       LYS  16 -12.663   2.887   2.006
  111    HA   LYS  16           HA       LYS  16 -10.133   2.943   3.331
  112    HB2  LYS  16           HB2      LYS  16 -11.763   1.217   3.896
  113    HB3  LYS  16           HB1      LYS  16 -11.746   0.621   2.238
  114    HG2  LYS  16           HG2      LYS  16 -10.454  -0.825   3.699
  115    HG3  LYS  16           HG1      LYS  16  -9.413  -0.055   2.502
  116    HD2  LYS  16           HD2      LYS  16  -8.286  -0.006   4.616
  117    HD3  LYS  16           HD1      LYS  16  -8.793   1.637   4.230
  118    HE2  LYS  16           HE2      LYS  16  -9.223   1.163   6.565
  119    HE3  LYS  16           HE1      LYS  16 -10.747   1.358   5.700
  120    HZ1  LYS  16           HZ1      LYS  16 -10.962  -1.044   5.607
  121    HZ2  LYS  16           HZ2      LYS  16 -10.807  -0.530   7.207
  122    HZ3  LYS  16           HZ3      LYS  16  -9.490  -1.236   6.417
  123    H    LEU  17           HN       LEU  17 -11.249   2.551   0.084
  124    HA   LEU  17           HA       LEU  17  -8.912   1.419  -1.034
  125    HB2  LEU  17           HB2      LEU  17 -11.207   1.506  -2.063
  126    HB3  LEU  17           HB1      LEU  17 -10.923   3.204  -2.390
  127    HG   LEU  17           HG       LEU  17  -9.081   2.626  -3.888
  128   HD11  LEU  17          HD11      LEU  17  -8.705   0.269  -4.492
  129   HD12  LEU  17          HD12      LEU  17  -9.808  -0.220  -3.205
  130   HD13  LEU  17          HD13      LEU  17  -8.299   0.599  -2.810
  131   HD21  LEU  17          HD21      LEU  17 -11.391   2.774  -4.729
  132   HD22  LEU  17          HD22      LEU  17 -11.578   1.040  -4.461
  133   HD23  LEU  17          HD23      LEU  17 -10.412   1.630  -5.647
  134    H    ALA  18           HN       ALA  18  -9.941   4.675  -0.306
  135    HA   ALA  18           HA       ALA  18  -7.808   6.026  -1.607
  136    HB1  ALA  18           HB1      ALA  18  -9.548   6.913   0.691
  137    HB2  ALA  18           HB2      ALA  18  -9.887   7.159  -1.021
  138    HB3  ALA  18           HB3      ALA  18  -8.504   7.958  -0.273
  139    H    LYS  19           HN       LYS  19  -8.391   4.994   1.737
  140    HA   LYS  19           HA       LYS  19  -5.954   5.770   2.858
  141    HB2  LYS  19           HB2      LYS  19  -7.766   4.999   4.260
  142    HB3  LYS  19           HB1      LYS  19  -7.748   3.418   3.495
  143    HG2  LYS  19           HG2      LYS  19  -6.716   3.219   5.633
  144    HG3  LYS  19           HG1      LYS  19  -5.465   3.060   4.399
  145    HD2  LYS  19           HD2      LYS  19  -4.590   4.452   6.126
  146    HD3  LYS  19           HD1      LYS  19  -4.942   5.489   4.744
  147    HE2  LYS  19           HE2      LYS  19  -5.669   6.560   6.792
  148    HE3  LYS  19           HE1      LYS  19  -7.065   6.143   5.802
  149    HZ1  LYS  19           HZ1      LYS  19  -7.388   5.617   8.157
  150    HZ2  LYS  19           HZ2      LYS  19  -6.081   4.546   8.102
  151    HZ3  LYS  19           HZ3      LYS  19  -7.468   4.231   7.190
  152    HA   4PH  20           HA       4PH  20  -4.503   1.416   1.368
  153    HB2  4PH  20           HB1      4PH  20  -6.481   1.473  -0.916
  154    HB3  4PH  20           HB2      4PH  20  -6.558   0.430   0.494
  155    HD2  4PH  20           HD2      4PH  20  -5.506   0.703  -2.845
  156    HD1  4PH  20           HD1      4PH  20  -4.543  -1.164   0.849
  157    HE2  4PH  20           HE2      4PH  20  -4.222  -1.012  -4.054
  158    HE1  4PH  20           HE1      4PH  20  -3.265  -2.885  -0.349
  159    H33  4PH  20           H33      4PH  20  -2.960  -3.943  -2.409
  160   H33A  4PH  20          H33A      4PH  20  -3.316  -3.140  -3.942
  161   H33B  4PH  20          H33B      4PH  20  -1.891  -2.677  -3.005
  162    H    4PH  20           HN       4PH  20  -6.871   2.860   1.097
  163    H    GLN  21           HN       GLN  21  -5.473   3.736  -1.169
  164    HA   GLN  21           HA       GLN  21  -3.121   3.612  -2.684
  165    HB2  GLN  21           HB2      GLN  21  -5.074   5.877  -2.271
  166    HB3  GLN  21           HB1      GLN  21  -3.766   5.929  -3.443
  167    HG2  GLN  21           HG2      GLN  21  -5.948   3.861  -3.413
  168    HG3  GLN  21           HG1      GLN  21  -5.954   5.316  -4.410
  169   HE21  GLN  21          HE21      GLN  21  -4.487   2.196  -3.906
  170   HE22  GLN  21          HE22      GLN  21  -3.678   2.113  -5.428
  171    H    ALA  22           HN       ALA  22  -3.893   5.405   0.226
  172    HA   ALA  22           HA       ALA  22  -1.598   7.072   0.240
  173    HB1  ALA  22           HB1      ALA  22  -3.346   6.155   2.517
  174    HB2  ALA  22           HB2      ALA  22  -3.589   7.600   1.534
  175    HB3  ALA  22           HB3      ALA  22  -2.178   7.474   2.584
  176    H    ASP  23           HN       ASP  23  -2.320   3.880   1.518
  177    HA   ASP  23           HA       ASP  23   0.123   3.552   2.943
  178    HB2  ASP  23           HB2      ASP  23  -2.080   2.190   3.163
  179    HB3  ASP  23           HB1      ASP  23  -1.455   1.258   1.807
  180    H    LEU  24           HN       LEU  24  -0.948   2.757  -0.320
  181    HA   LEU  24           HA       LEU  24   1.365   1.423  -1.174
  182    HB2  LEU  24           HB2      LEU  24  -0.818   2.888  -2.581
  183    HB3  LEU  24           HB1      LEU  24   0.632   2.489  -3.483
  184    HG   LEU  24           HG       LEU  24  -1.211   0.847  -3.766
  185   HD11  LEU  24          HD11      LEU  24   1.278  -0.221  -2.439
  186   HD12  LEU  24          HD12      LEU  24   1.094   0.171  -4.148
  187   HD13  LEU  24          HD13      LEU  24   0.163  -1.150  -3.440
  188   HD21  LEU  24          HD21      LEU  24  -0.676   0.244  -0.867
  189   HD22  LEU  24          HD22      LEU  24  -1.709  -0.693  -1.947
  190   HD23  LEU  24          HD23      LEU  24  -2.144   0.964  -1.526
  191    H    ALA  25           HN       ALA  25   0.622   4.835  -0.905
  192    HA   ALA  25           HA       ALA  25   2.838   5.822  -2.338
  193    HB1  ALA  25           HB1      ALA  25   2.464   7.914  -1.129
  194    HB2  ALA  25           HB2      ALA  25   1.386   7.077  -0.011
  195    HB3  ALA  25           HB3      ALA  25   0.944   7.233  -1.711
  196    H    LYS  26           HN       LYS  26   2.402   4.965   1.062
  197    HA   LYS  26           HA       LYS  26   4.996   5.670   1.917
  198    HB2  LYS  26           HB2      LYS  26   3.070   3.605   2.990
  199    HB3  LYS  26           HB1      LYS  26   4.544   4.093   3.804
  200    HG2  LYS  26           HG2      LYS  26   3.669   6.391   3.961
  201    HG3  LYS  26           HG1      LYS  26   2.170   5.845   3.207
  202    HD2  LYS  26           HD2      LYS  26   3.310   4.785   5.794
  203    HD3  LYS  26           HD1      LYS  26   1.995   5.955   5.664
  204    HE2  LYS  26           HE2      LYS  26   0.581   4.356   4.612
  205    HE3  LYS  26           HE1      LYS  26   1.905   3.210   4.428
  206    HZ1  LYS  26           HZ1      LYS  26   0.642   4.065   6.970
  207    HZ2  LYS  26           HZ2      LYS  26   2.002   3.066   6.866
  208    HZ3  LYS  26           HZ3      LYS  26   0.522   2.545   6.237
  209    HA   4PH  27           HA       4PH  27   5.872   1.082   1.026
  210    HB2  4PH  27           HB1      4PH  27   3.439   0.819  -0.733
  211    HB3  4PH  27           HB2      4PH  27   3.797  -0.040   0.757
  212    HD2  4PH  27           HD2      4PH  27   3.635  -0.358  -2.677
  213    HD1  4PH  27           HD1      4PH  27   6.097  -1.445   0.616
  214    HE2  4PH  27           HE2      4PH  27   4.581  -2.197  -4.001
  215    HE1  4PH  27           HE1      4PH  27   7.043  -3.294  -0.702
  216    H33  4PH  27           H33      4PH  27   6.696  -4.696  -2.520
  217   H33A  4PH  27          H33A      4PH  27   5.683  -4.239  -3.892
  218   H33B  4PH  27          H33B      4PH  27   7.290  -3.530  -3.697
  219    H    4PH  27           HN       4PH  27   3.590   2.702   0.650
  220    H    GLN  28           HN       GLN  28   4.648   2.745  -1.900
  221    HA   GLN  28           HA       GLN  28   6.720   1.758  -3.554
  222    HB2  GLN  28           HB2      GLN  28   4.848   4.102  -3.885
  223    HB3  GLN  28           HB1      GLN  28   6.005   3.616  -5.120
  224    HG2  GLN  28           HG2      GLN  28   4.928   1.384  -5.193
  225    HG3  GLN  28           HG1      GLN  28   3.730   1.956  -4.035
  226   HE21  GLN  28          HE21      GLN  28   3.666   4.632  -5.227
  227   HE22  GLN  28          HE22      GLN  28   2.775   4.470  -6.694
  228    H    LYS  29           HN       LYS  29   6.403   4.712  -1.661
  229    HA   LYS  29           HA       LYS  29   8.722   5.961  -2.713
  230    HB2  LYS  29           HB2      LYS  29   6.945   7.219  -1.559
  231    HB3  LYS  29           HB1      LYS  29   7.346   6.404  -0.055
  232    HG2  LYS  29           HG2      LYS  29   8.278   8.641  -0.098
  233    HG3  LYS  29           HG1      LYS  29   9.561   7.433  -0.081
  234    HD2  LYS  29           HD2      LYS  29  10.156   9.151  -1.645
  235    HD3  LYS  29           HD1      LYS  29   9.760   7.690  -2.547
  236    HE2  LYS  29           HE2      LYS  29   7.510   8.596  -2.981
  237    HE3  LYS  29           HE1      LYS  29   7.953  10.069  -2.121
  238    HZ1  LYS  29           HZ1      LYS  29   8.197  10.404  -4.468
  239    HZ2  LYS  29           HZ2      LYS  29   9.185   9.042  -4.617
  240    HZ3  LYS  29           HZ3      LYS  29   9.736  10.396  -3.769
  241    H    ASP  30           HN       ASP  30   8.130   3.910   0.120
  242    HA   ASP  30           HA       ASP  30  10.824   4.055   1.070
  243    HB2  ASP  30           HB2      ASP  30   8.956   3.456   2.568
  244    HB3  ASP  30           HB1      ASP  30   8.691   1.976   1.651
  245    H    LEU  31           HN       LEU  31   9.061   1.898  -1.062
  246    HA   LEU  31           HA       LEU  31  10.953  -0.134  -1.371
  247    HB2  LEU  31           HB2      LEU  31   8.493   0.176  -2.263
  248    HB3  LEU  31           HB1      LEU  31   9.292   0.854  -3.662
  249    HG   LEU  31           HG       LEU  31   8.652  -1.511  -3.948
  250   HD11  LEU  31          HD11      LEU  31  10.779  -2.309  -4.832
  251   HD12  LEU  31          HD12      LEU  31  11.621  -1.024  -3.965
  252   HD13  LEU  31          HD13      LEU  31  10.489  -0.621  -5.255
  253   HD21  LEU  31          HD21      LEU  31   9.778  -3.255  -2.747
  254   HD22  LEU  31          HD22      LEU  31   8.994  -2.167  -1.597
  255   HD23  LEU  31          HD23      LEU  31  10.736  -2.074  -1.857
  256    H    ALA  32           HN       ALA  32  10.631   3.011  -2.881
  257    HA   ALA  32           HA       ALA  32  12.557   2.752  -4.892
  258    HB1  ALA  32           HB1      ALA  32  10.896   4.548  -4.812
  259    HB2  ALA  32           HB2      ALA  32  12.536   5.178  -4.981
  260    HB3  ALA  32           HB3      ALA  32  11.723   5.239  -3.416
  261    H    ASP  33           HN       ASP  33  12.846   3.593  -1.495
  262    HA   ASP  33           HA       ASP  33  15.632   4.309  -1.729
  263    HB2  ASP  33           HB2      ASP  33  14.184   5.380  -0.033
  264    HB3  ASP  33           HB1      ASP  33  13.980   3.821   0.760
  265    HA   4PH  34           HA       4PH  34  15.910  -0.009   0.140
  266    HB2  4PH  34           HB1      4PH  34  13.326  -0.957  -1.110
  267    HB3  4PH  34           HB2      4PH  34  13.530  -0.493   0.572
  268    HD2  4PH  34           HD2      4PH  34  15.239  -1.825   1.950
  269    HD1  4PH  34           HD1      4PH  34  13.622  -3.171  -1.749
  270    HE2  4PH  34           HE2      4PH  34  15.828  -4.140   2.539
  271    HE1  4PH  34           HE1      4PH  34  14.207  -5.485  -1.169
  272    H33  4PH  34           H33      4PH  34  15.578  -6.822   0.148
  273   H33A  4PH  34          H33A      4PH  34  16.250  -6.274   1.685
  274   H33B  4PH  34          H33B      4PH  34  14.542  -6.716   1.567
  275    H    4PH  34           HN       4PH  34  13.800   1.469  -1.106
  276    HN1  NH2  35           HN1      NH2  35  17.647  -0.574  -0.961
  277    HN2  NH2  35           HN2      NH2  35  17.685  -1.145  -2.592
  Start of MODEL   18
    1    H1   ACE   0           HA1      ACE   0  14.725  -1.824   4.999
    2    H2   ACE   0           HA2      ACE   0  13.361  -1.468   3.941
    3    H3   ACE   0           HA3      ACE   0  14.287  -2.943   3.675
    4    HA   PRO   1           HA       PRO   1  12.627  -4.523   3.014
    5    HB2  PRO   1           HB2      PRO   1  11.254  -6.706   4.480
    6    HB3  PRO   1           HB1      PRO   1  12.407  -6.801   3.135
    7    HG2  PRO   1           HG2      PRO   1  13.115  -7.496   5.595
    8    HG3  PRO   1           HG1      PRO   1  14.242  -6.658   4.503
    9    HD2  PRO   1           HD2      PRO   1  12.687  -5.556   6.809
   10    HD3  PRO   1           HD1      PRO   1  14.344  -5.191   6.281
   11    HA   PRO   2           HA       PRO   2   8.541  -2.613   3.553
   12    HB2  PRO   2           HB2      PRO   2   8.642  -2.413   0.627
   13    HB3  PRO   2           HB1      PRO   2   8.545  -1.112   1.826
   14    HG2  PRO   2           HG2      PRO   2  10.732  -1.572   0.332
   15    HG3  PRO   2           HG1      PRO   2  10.794  -0.882   1.966
   16    HD2  PRO   2           HD2      PRO   2  11.411  -3.661   1.062
   17    HD3  PRO   2           HD1      PRO   2  12.178  -2.680   2.329
   18    H    THR   3           HN       THR   3   6.687  -3.756   3.622
   19    HA   THR   3           HA       THR   3   6.450  -6.136   1.926
   20    HB   THR   3           HB       THR   3   4.483  -6.630   3.500
   21    HG1  THR   3           HG1      THR   3   4.214  -4.648   4.487
   22   HG21  THR   3          HG21      THR   3   6.617  -7.815   3.624
   23   HG22  THR   3          HG22      THR   3   5.950  -7.541   5.233
   24   HG23  THR   3          HG23      THR   3   7.275  -6.538   4.645
   25    H    LYS   4           HN       LYS   4   5.154  -6.077   0.207
   26    HA   LYS   4           HA       LYS   4   3.566  -3.742  -0.269
   27    HB2  LYS   4           HB2      LYS   4   2.905  -4.940  -2.414
   28    HB3  LYS   4           HB1      LYS   4   4.595  -4.528  -2.216
   29    HG2  LYS   4           HG2      LYS   4   4.538  -6.663  -3.183
   30    HG3  LYS   4           HG1      LYS   4   4.973  -6.913  -1.497
   31    HD2  LYS   4           HD2      LYS   4   2.614  -7.480  -1.013
   32    HD3  LYS   4           HD1      LYS   4   2.247  -7.299  -2.729
   33    HE2  LYS   4           HE2      LYS   4   3.800  -9.097  -3.262
   34    HE3  LYS   4           HE1      LYS   4   4.212  -9.260  -1.555
   35    HZ1  LYS   4           HZ1      LYS   4   2.614 -10.924  -2.219
   36    HZ2  LYS   4           HZ2      LYS   4   1.539  -9.737  -2.753
   37    HZ3  LYS   4           HZ3      LYS   4   1.909  -9.864  -1.107
   38    HA   PRO   5           HA       PRO   5  -0.218  -5.339   1.351
   39    HB2  PRO   5           HB2      PRO   5  -1.829  -3.339   0.607
   40    HB3  PRO   5           HB1      PRO   5  -0.561  -3.085   1.816
   41    HG2  PRO   5           HG2      PRO   5  -0.563  -2.367  -1.074
   42    HG3  PRO   5           HG1      PRO   5   0.000  -1.426   0.320
   43    HD2  PRO   5           HD2      PRO   5   1.651  -2.874  -1.323
   44    HD3  PRO   5           HD1      PRO   5   2.030  -2.472   0.365
   45    H    THR   6           HN       THR   6  -2.283  -6.120   0.657
   46    HA   THR   6           HA       THR   6  -2.231  -7.039  -2.109
   47    HB   THR   6           HB       THR   6  -2.547  -8.686  -0.278
   48    HG1  THR   6           HG1      THR   6  -3.940  -9.851  -1.463
   49   HG21  THR   6          HG21      THR   6  -4.727  -8.820   0.845
   50   HG22  THR   6          HG22      THR   6  -5.192  -7.288   0.102
   51   HG23  THR   6          HG23      THR   6  -3.863  -7.340   1.261
   52    H    LYS   7           HN       LYS   7  -4.177  -7.039  -3.390
   53    HA   LYS   7           HA       LYS   7  -5.382  -4.470  -3.509
   54    HB2  LYS   7           HB2      LYS   7  -6.187  -7.002  -4.947
   55    HB3  LYS   7           HB1      LYS   7  -6.675  -5.374  -5.379
   56    HG2  LYS   7           HG2      LYS   7  -3.853  -6.422  -5.440
   57    HG3  LYS   7           HG1      LYS   7  -4.911  -6.235  -6.838
   58    HD2  LYS   7           HD2      LYS   7  -5.043  -3.801  -6.340
   59    HD3  LYS   7           HD1      LYS   7  -3.865  -4.045  -5.049
   60    HE2  LYS   7           HE2      LYS   7  -3.432  -4.569  -7.987
   61    HE3  LYS   7           HE1      LYS   7  -2.769  -3.228  -7.056
   62    HZ1  LYS   7           HZ1      LYS   7  -1.580  -4.880  -5.689
   63    HZ2  LYS   7           HZ2      LYS   7  -1.111  -4.915  -7.311
   64    HZ3  LYS   7           HZ3      LYS   7  -2.141  -6.109  -6.706
   65    HA   PRO   8           HA       PRO   8  -8.584  -5.127  -0.442
   66    HB2  PRO   8           HB2      PRO   8  -9.798  -2.859  -1.956
   67    HB3  PRO   8           HB1      PRO   8  -9.510  -3.027  -0.210
   68    HG2  PRO   8           HG2      PRO   8  -7.990  -1.447  -1.685
   69    HG3  PRO   8           HG1      PRO   8  -7.289  -2.428  -0.380
   70    HD2  PRO   8           HD2      PRO   8  -7.182  -2.861  -3.334
   71    HD3  PRO   8           HD1      PRO   8  -5.947  -3.182  -2.096
   72    H    GLY   9           HN       GLY   9 -10.058  -6.646  -0.603
   73    HA2  GLY   9           HA2      GLY   9 -11.584  -6.938  -3.095
   74    HA3  GLY   9           HA1      GLY   9 -11.387  -8.180  -1.867
   75    H    ASP  10           HN       ASP  10 -12.332  -7.584   0.314
   76    HA   ASP  10           HA       ASP  10 -15.042  -6.591  -0.143
   77    HB2  ASP  10           HB2      ASP  10 -15.627  -7.665   1.938
   78    HB3  ASP  10           HB1      ASP  10 -14.691  -8.796   0.969
   79    H    ASN  11           HN       ASN  11 -12.086  -5.623   1.255
   80    HA   ASN  11           HA       ASN  11 -13.330  -3.550   2.886
   81    HB2  ASN  11           HB2      ASN  11 -11.068  -3.006   3.637
   82    HB3  ASN  11           HB1      ASN  11 -11.389  -4.721   3.837
   83   HD21  ASN  11          HD21      ASN  11  -8.869  -3.190   3.564
   84   HD22  ASN  11          HD22      ASN  11  -8.023  -3.941   2.265
   85    H    ALA  12           HN       ALA  12 -13.070  -3.821  -0.199
   86    HA   ALA  12           HA       ALA  12 -11.514  -1.584  -1.030
   87    HB1  ALA  12           HB1      ALA  12 -13.580  -3.132  -2.574
   88    HB2  ALA  12           HB2      ALA  12 -11.872  -3.553  -2.444
   89    HB3  ALA  12           HB3      ALA  12 -12.353  -2.054  -3.242
   90    H    THR  13           HN       THR  13 -13.726  -1.068   0.903
   91    HA   THR  13           HA       THR  13 -15.791   0.419  -0.280
   92    HB   THR  13           HB       THR  13 -15.885   1.637   1.900
   93    HG1  THR  13           HG1      THR  13 -14.330   0.390   3.472
   94   HG21  THR  13          HG21      THR  13 -15.616  -1.358   2.155
   95   HG22  THR  13          HG22      THR  13 -17.046  -0.503   1.585
   96   HG23  THR  13          HG23      THR  13 -16.499  -0.291   3.247
   97    HA   PRO  14           HA       PRO  14 -13.825   3.937  -2.134
   98    HB2  PRO  14           HB2      PRO  14 -15.896   5.519  -0.667
   99    HB3  PRO  14           HB1      PRO  14 -15.469   5.552  -2.387
  100    HG2  PRO  14           HG2      PRO  14 -17.678   4.350  -1.536
  101    HG3  PRO  14           HG1      PRO  14 -16.723   3.707  -2.889
  102    HD2  PRO  14           HD2      PRO  14 -16.978   2.682  -0.115
  103    HD3  PRO  14           HD1      PRO  14 -16.616   1.811  -1.615
  104    H    GLU  15           HN       GLU  15 -14.602   3.927   1.269
  105    HA   GLU  15           HA       GLU  15 -13.021   6.166   2.016
  106    HB2  GLU  15           HB2      GLU  15 -13.966   3.834   3.689
  107    HB3  GLU  15           HB1      GLU  15 -13.405   5.386   4.296
  108    HG2  GLU  15           HG2      GLU  15 -15.302   6.505   3.413
  109    HG3  GLU  15           HG1      GLU  15 -15.794   5.074   2.509
  110    H    LYS  16           HN       LYS  16 -12.518   2.649   2.247
  111    HA   LYS  16           HA       LYS  16  -9.872   2.979   3.325
  112    HB2  LYS  16           HB2      LYS  16 -11.352   1.123   4.023
  113    HB3  LYS  16           HB1      LYS  16 -11.301   0.479   2.383
  114    HG2  LYS  16           HG2      LYS  16  -9.808  -0.780   3.770
  115    HG3  LYS  16           HG1      LYS  16  -8.855   0.173   2.631
  116    HD2  LYS  16           HD2      LYS  16  -8.373   1.809   4.345
  117    HD3  LYS  16           HD1      LYS  16  -9.426   0.969   5.484
  118    HE2  LYS  16           HE2      LYS  16  -7.956  -0.990   5.384
  119    HE3  LYS  16           HE1      LYS  16  -6.901  -0.135   4.259
  120    HZ1  LYS  16           HZ1      LYS  16  -6.399   1.471   5.951
  121    HZ2  LYS  16           HZ2      LYS  16  -6.101  -0.073   6.566
  122    HZ3  LYS  16           HZ3      LYS  16  -7.496   0.765   7.026
  123    H    LEU  17           HN       LEU  17 -11.325   2.412   0.225
  124    HA   LEU  17           HA       LEU  17  -9.117   1.343  -1.145
  125    HB2  LEU  17           HB2      LEU  17 -11.479   1.358  -1.939
  126    HB3  LEU  17           HB1      LEU  17 -11.324   3.077  -2.248
  127    HG   LEU  17           HG       LEU  17  -9.635   2.633  -3.959
  128   HD11  LEU  17          HD11      LEU  17  -8.623   0.638  -3.047
  129   HD12  LEU  17          HD12      LEU  17  -9.229   0.301  -4.669
  130   HD13  LEU  17          HD13      LEU  17 -10.127  -0.258  -3.256
  131   HD21  LEU  17          HD21      LEU  17 -12.140   0.986  -4.254
  132   HD22  LEU  17          HD22      LEU  17 -11.110   1.538  -5.577
  133   HD23  LEU  17          HD23      LEU  17 -11.983   2.711  -4.590
  134    H    ALA  18           HN       ALA  18 -10.138   4.647  -0.518
  135    HA   ALA  18           HA       ALA  18  -8.157   5.897  -2.122
  136    HB1  ALA  18           HB1      ALA  18 -10.216   7.038  -1.487
  137    HB2  ALA  18           HB2      ALA  18  -8.804   7.943  -0.947
  138    HB3  ALA  18           HB3      ALA  18  -9.734   6.986   0.207
  139    H    LYS  19           HN       LYS  19  -8.407   5.126   1.324
  140    HA   LYS  19           HA       LYS  19  -5.911   6.227   2.058
  141    HB2  LYS  19           HB2      LYS  19  -7.725   5.668   3.669
  142    HB3  LYS  19           HB1      LYS  19  -7.403   3.960   3.395
  143    HG2  LYS  19           HG2      LYS  19  -5.147   4.228   4.260
  144    HG3  LYS  19           HG1      LYS  19  -5.437   5.949   4.513
  145    HD2  LYS  19           HD2      LYS  19  -7.016   3.740   5.824
  146    HD3  LYS  19           HD1      LYS  19  -5.654   4.572   6.574
  147    HE2  LYS  19           HE2      LYS  19  -6.875   6.707   6.336
  148    HE3  LYS  19           HE1      LYS  19  -8.248   5.821   5.675
  149    HZ1  LYS  19           HZ1      LYS  19  -8.528   6.285   8.030
  150    HZ2  LYS  19           HZ2      LYS  19  -7.105   5.448   8.389
  151    HZ3  LYS  19           HZ3      LYS  19  -8.436   4.619   7.757
  152    HA   4PH  20           HA       4PH  20  -4.542   1.685   1.158
  153    HB2  4PH  20           HB1      4PH  20  -6.628   1.529  -1.019
  154    HB3  4PH  20           HB2      4PH  20  -6.551   0.560   0.447
  155    HD2  4PH  20           HD2      4PH  20  -4.351  -0.850   0.723
  156    HD1  4PH  20           HD1      4PH  20  -5.833   0.638  -2.972
  157    HE2  4PH  20           HE2      4PH  20  -3.044  -2.541  -0.480
  158    HE1  4PH  20           HE1      4PH  20  -4.522  -1.053  -4.186
  159    H33  4PH  20           H33      4PH  20  -3.470  -3.748  -3.186
  160   H33A  4PH  20          H33A      4PH  20  -2.670  -2.440  -4.060
  161   H33B  4PH  20          H33B      4PH  20  -2.020  -3.011  -2.518
  162    H    4PH  20           HN       4PH  20  -6.902   3.130   0.777
  163    H    GLN  21           HN       GLN  21  -5.546   3.777  -1.541
  164    HA   GLN  21           HA       GLN  21  -3.238   3.466  -3.101
  165    HB2  GLN  21           HB2      GLN  21  -5.143   5.797  -2.843
  166    HB3  GLN  21           HB1      GLN  21  -3.863   5.717  -4.048
  167    HG2  GLN  21           HG2      GLN  21  -6.086   3.709  -3.769
  168    HG3  GLN  21           HG1      GLN  21  -6.072   5.050  -4.916
  169   HE21  GLN  21          HE21      GLN  21  -4.636   1.982  -4.077
  170   HE22  GLN  21          HE22      GLN  21  -3.865   1.706  -5.595
  171    H    ALA  22           HN       ALA  22  -3.922   5.526  -0.353
  172    HA   ALA  22           HA       ALA  22  -1.507   7.026  -0.483
  173    HB1  ALA  22           HB1      ALA  22  -2.089   7.735   1.784
  174    HB2  ALA  22           HB2      ALA  22  -3.362   6.513   1.833
  175    HB3  ALA  22           HB3      ALA  22  -3.467   7.851   0.690
  176    H    ASP  23           HN       ASP  23  -2.449   3.976   0.918
  177    HA   ASP  23           HA       ASP  23  -0.149   3.592   2.551
  178    HB2  ASP  23           HB2      ASP  23  -2.379   2.296   2.637
  179    HB3  ASP  23           HB1      ASP  23  -1.735   1.360   1.292
  180    H    LEU  24           HN       LEU  24  -0.981   2.754  -0.773
  181    HA   LEU  24           HA       LEU  24   1.369   1.389  -1.443
  182    HB2  LEU  24           HB2      LEU  24  -0.662   2.904  -3.015
  183    HB3  LEU  24           HB1      LEU  24   0.847   2.473  -3.799
  184    HG   LEU  24           HG       LEU  24  -0.988   0.868  -4.233
  185   HD11  LEU  24          HD11      LEU  24   1.357   0.166  -4.366
  186   HD12  LEU  24          HD12      LEU  24   0.308  -1.145  -3.821
  187   HD13  LEU  24          HD13      LEU  24   1.314  -0.280  -2.661
  188   HD21  LEU  24          HD21      LEU  24  -0.726   0.244  -1.301
  189   HD22  LEU  24          HD22      LEU  24  -1.710  -0.633  -2.474
  190   HD23  LEU  24          HD23      LEU  24  -2.102   1.037  -2.066
  191    H    ALA  25           HN       ALA  25   0.673   4.825  -1.264
  192    HA   ALA  25           HA       ALA  25   3.040   5.755  -2.472
  193    HB1  ALA  25           HB1      ALA  25   2.587   7.861  -1.325
  194    HB2  ALA  25           HB2      ALA  25   1.397   7.055  -0.305
  195    HB3  ALA  25           HB3      ALA  25   1.117   7.200  -2.039
  196    H    LYS  26           HN       LYS  26   2.312   4.661   0.782
  197    HA   LYS  26           HA       LYS  26   4.782   5.398   1.964
  198    HB2  LYS  26           HB2      LYS  26   2.899   3.141   2.692
  199    HB3  LYS  26           HB1      LYS  26   4.200   3.745   3.704
  200    HG2  LYS  26           HG2      LYS  26   3.072   5.901   3.879
  201    HG3  LYS  26           HG1      LYS  26   1.775   5.308   2.840
  202    HD2  LYS  26           HD2      LYS  26   1.276   3.551   4.487
  203    HD3  LYS  26           HD1      LYS  26   2.557   4.175   5.526
  204    HE2  LYS  26           HE2      LYS  26   1.343   6.345   5.607
  205    HE3  LYS  26           HE1      LYS  26   0.028   5.593   4.706
  206    HZ1  LYS  26           HZ1      LYS  26  -0.418   5.577   7.073
  207    HZ2  LYS  26           HZ2      LYS  26   1.018   4.737   7.374
  208    HZ3  LYS  26           HZ3      LYS  26  -0.230   3.994   6.509
  209    HA   4PH  27           HA       4PH  27   5.877   0.903   0.782
  210    HB2  4PH  27           HB1      4PH  27   3.563   0.760  -1.145
  211    HB3  4PH  27           HB2      4PH  27   3.823  -0.199   0.301
  212    HD2  4PH  27           HD2      4PH  27   3.871  -0.283  -3.139
  213    HD1  4PH  27           HD1      4PH  27   6.128  -1.596   0.220
  214    HE2  4PH  27           HE2      4PH  27   4.869  -2.057  -4.511
  215    HE1  4PH  27           HE1      4PH  27   7.132  -3.378  -1.150
  216    H33  4PH  27           H33      4PH  27   6.017  -4.718  -3.614
  217   H33A  4PH  27          H33A      4PH  27   6.684  -3.504  -4.710
  218   H33B  4PH  27          H33B      4PH  27   7.615  -4.047  -3.308
  219    H    4PH  27           HN       4PH  27   3.585   2.504   0.382
  220    H    GLN  28           HN       GLN  28   4.777   2.821  -2.010
  221    HA   GLN  28           HA       GLN  28   6.907   2.076  -3.700
  222    HB2  GLN  28           HB2      GLN  28   5.075   4.473  -3.758
  223    HB3  GLN  28           HB1      GLN  28   6.248   4.117  -5.020
  224    HG2  GLN  28           HG2      GLN  28   3.970   2.323  -4.190
  225    HG3  GLN  28           HG1      GLN  28   3.993   3.363  -5.609
  226   HE21  GLN  28          HE21      GLN  28   3.670   0.493  -5.477
  227   HE22  GLN  28          HE22      GLN  28   4.951  -0.189  -6.411
  228    H    LYS  29           HN       LYS  29   6.547   4.680  -1.371
  229    HA   LYS  29           HA       LYS  29   8.880   6.102  -2.182
  230    HB2  LYS  29           HB2      LYS  29   6.962   7.088  -0.891
  231    HB3  LYS  29           HB1      LYS  29   7.516   6.190   0.515
  232    HG2  LYS  29           HG2      LYS  29   9.743   7.384   0.195
  233    HG3  LYS  29           HG1      LYS  29   8.877   8.448  -0.913
  234    HD2  LYS  29           HD2      LYS  29   8.230   7.982   1.996
  235    HD3  LYS  29           HD1      LYS  29   8.970   9.427   1.308
  236    HE2  LYS  29           HE2      LYS  29   6.947   9.839   0.002
  237    HE3  LYS  29           HE1      LYS  29   6.209   8.390   0.685
  238    HZ1  LYS  29           HZ1      LYS  29   5.456  10.357   1.839
  239    HZ2  LYS  29           HZ2      LYS  29   7.048  10.801   2.203
  240    HZ3  LYS  29           HZ3      LYS  29   6.384   9.402   2.885
  241    H    ASP  30           HN       ASP  30   8.186   3.745   0.381
  242    HA   ASP  30           HA       ASP  30  10.835   3.913   1.475
  243    HB2  ASP  30           HB2      ASP  30   8.763   3.280   2.783
  244    HB3  ASP  30           HB1      ASP  30   8.800   1.725   1.960
  245    H    LEU  31           HN       LEU  31   9.221   1.895  -0.876
  246    HA   LEU  31           HA       LEU  31  11.104  -0.185  -1.048
  247    HB2  LEU  31           HB2      LEU  31   8.793  -0.089  -2.092
  248    HB3  LEU  31           HB1      LEU  31   9.491   0.935  -3.333
  249    HG   LEU  31           HG       LEU  31  11.099  -0.951  -3.832
  250   HD11  LEU  31          HD11      LEU  31  10.367  -3.195  -3.123
  251   HD12  LEU  31          HD12      LEU  31   9.171  -2.442  -2.065
  252   HD13  LEU  31          HD13      LEU  31  10.892  -2.186  -1.775
  253   HD21  LEU  31          HD21      LEU  31   9.452  -2.194  -5.147
  254   HD22  LEU  31          HD22      LEU  31   9.195  -0.454  -5.258
  255   HD23  LEU  31          HD23      LEU  31   8.151  -1.436  -4.231
  256    H    ALA  32           HN       ALA  32  11.044   3.043  -2.328
  257    HA   ALA  32           HA       ALA  32  12.991   2.842  -4.318
  258    HB1  ALA  32           HB1      ALA  32  13.215   5.257  -4.098
  259    HB2  ALA  32           HB2      ALA  32  12.364   5.203  -2.552
  260    HB3  ALA  32           HB3      ALA  32  11.518   4.776  -4.041
  261    H    ASP  33           HN       ASP  33  13.277   3.450  -0.850
  262    HA   ASP  33           HA       ASP  33  16.093   3.901  -0.880
  263    HB2  ASP  33           HB2      ASP  33  14.594   4.695   0.944
  264    HB3  ASP  33           HB1      ASP  33  14.356   3.023   1.440
  265    HA   4PH  34           HA       4PH  34  16.106  -0.694   0.142
  266    HB2  4PH  34           HB1      4PH  34  13.501  -1.310  -1.262
  267    HB3  4PH  34           HB2      4PH  34  13.648  -1.032   0.466
  268    HD2  4PH  34           HD2      4PH  34  13.557  -3.483  -2.039
  269    HD1  4PH  34           HD1      4PH  34  15.390  -2.564   1.691
  270    HE2  4PH  34           HE2      4PH  34  14.000  -5.872  -1.673
  271    HE1  4PH  34           HE1      4PH  34  15.832  -4.952   2.065
  272    H33  4PH  34           H33      4PH  34  14.423  -7.493  -0.053
  273   H33A  4PH  34          H33A      4PH  34  16.156  -7.168   0.024
  274   H33B  4PH  34          H33B      4PH  34  15.172  -7.107   1.493
  275    H    4PH  34           HN       4PH  34  14.104   1.109  -0.855
  276    HN1  NH2  35           HN1      NH2  35  17.817  -0.308  -1.291
  277    HN2  NH2  35           HN2      NH2  35  17.818  -0.922  -2.906
  Start of MODEL   19
    1    H1   ACE   0           HA1      ACE   0  14.555  -3.388   6.069
    2    H2   ACE   0           HA2      ACE   0  13.321  -3.013   4.868
    3    H3   ACE   0           HA3      ACE   0  14.687  -4.024   4.401
    4    HA   PRO   1           HA       PRO   1  13.171  -5.277   2.801
    5    HB2  PRO   1           HB2      PRO   1  11.930  -7.756   2.452
    6    HB3  PRO   1           HB1      PRO   1  13.652  -7.427   2.178
    7    HG2  PRO   1           HG2      PRO   1  12.316  -8.655   4.529
    8    HG3  PRO   1           HG1      PRO   1  13.885  -9.035   3.784
    9    HD2  PRO   1           HD2      PRO   1  13.730  -7.630   6.064
   10    HD3  PRO   1           HD1      PRO   1  14.966  -7.284   4.838
   11    HA   PRO   2           HA       PRO   2   9.048  -3.922   3.933
   12    HB2  PRO   2           HB2      PRO   2   8.525  -2.602   1.574
   13    HB3  PRO   2           HB1      PRO   2   9.501  -1.911   2.889
   14    HG2  PRO   2           HG2      PRO   2  10.380  -3.184   0.356
   15    HG3  PRO   2           HG1      PRO   2  11.043  -1.777   1.212
   16    HD2  PRO   2           HD2      PRO   2  12.183  -4.242   1.321
   17    HD3  PRO   2           HD1      PRO   2  12.287  -3.071   2.651
   18    H    THR   3           HN       THR   3   7.074  -4.842   3.653
   19    HA   THR   3           HA       THR   3   6.828  -6.843   1.537
   20    HB   THR   3           HB       THR   3   4.739  -7.494   2.858
   21    HG1  THR   3           HG1      THR   3   4.257  -6.147   4.410
   22   HG21  THR   3          HG21      THR   3   7.438  -7.716   4.189
   23   HG22  THR   3          HG22      THR   3   6.799  -8.789   2.943
   24   HG23  THR   3          HG23      THR   3   6.039  -8.730   4.534
   25    H    LYS   4           HN       LYS   4   5.243  -6.794   0.012
   26    HA   LYS   4           HA       LYS   4   4.038  -4.251  -0.516
   27    HB2  LYS   4           HB2      LYS   4   3.281  -5.173  -2.567
   28    HB3  LYS   4           HB1      LYS   4   4.849  -5.912  -2.278
   29    HG2  LYS   4           HG2      LYS   4   3.798  -7.940  -1.519
   30    HG3  LYS   4           HG1      LYS   4   2.200  -7.200  -1.672
   31    HD2  LYS   4           HD2      LYS   4   2.644  -6.891  -4.099
   32    HD3  LYS   4           HD1      LYS   4   4.153  -7.781  -3.896
   33    HE2  LYS   4           HE2      LYS   4   2.919  -9.741  -3.159
   34    HE3  LYS   4           HE1      LYS   4   1.401  -8.853  -3.287
   35    HZ1  LYS   4           HZ1      LYS   4   1.787  -8.625  -5.664
   36    HZ2  LYS   4           HZ2      LYS   4   1.755 -10.254  -5.210
   37    HZ3  LYS   4           HZ3      LYS   4   3.232  -9.495  -5.535
   38    HA   PRO   5           HA       PRO   5   0.138  -4.925   1.506
   39    HB2  PRO   5           HB2      PRO   5  -1.427  -3.258   0.074
   40    HB3  PRO   5           HB1      PRO   5  -0.185  -2.649   1.182
   41    HG2  PRO   5           HG2      PRO   5  -0.059  -2.979  -1.778
   42    HG3  PRO   5           HG1      PRO   5   0.449  -1.601  -0.781
   43    HD2  PRO   5           HD2      PRO   5   2.210  -3.407  -1.702
   44    HD3  PRO   5           HD1      PRO   5   2.402  -2.610  -0.126
   45    H    THR   6           HN       THR   6  -1.945  -5.849   1.172
   46    HA   THR   6           HA       THR   6  -2.077  -7.531  -1.204
   47    HB   THR   6           HB       THR   6  -2.360  -8.609   0.996
   48    HG1  THR   6           HG1      THR   6  -4.779  -9.267   0.281
   49   HG21  THR   6          HG21      THR   6  -4.887  -6.973   1.168
   50   HG22  THR   6          HG22      THR   6  -3.468  -6.800   2.198
   51   HG23  THR   6          HG23      THR   6  -4.433  -8.274   2.266
   52    H    LYS   7           HN       LYS   7  -3.995  -7.713  -2.439
   53    HA   LYS   7           HA       LYS   7  -5.106  -5.149  -3.064
   54    HB2  LYS   7           HB2      LYS   7  -5.763  -7.887  -4.171
   55    HB3  LYS   7           HB1      LYS   7  -6.311  -6.361  -4.847
   56    HG2  LYS   7           HG2      LYS   7  -3.456  -7.297  -4.658
   57    HG3  LYS   7           HG1      LYS   7  -4.448  -7.247  -6.115
   58    HD2  LYS   7           HD2      LYS   7  -4.666  -4.770  -5.764
   59    HD3  LYS   7           HD1      LYS   7  -3.470  -4.921  -4.472
   60    HE2  LYS   7           HE2      LYS   7  -2.365  -4.223  -6.493
   61    HE3  LYS   7           HE1      LYS   7  -1.878  -5.873  -6.107
   62    HZ1  LYS   7           HZ1      LYS   7  -3.933  -5.105  -8.110
   63    HZ2  LYS   7           HZ2      LYS   7  -3.446  -6.685  -7.751
   64    HZ3  LYS   7           HZ3      LYS   7  -2.357  -5.607  -8.459
   65    HA   PRO   8           HA       PRO   8  -8.623  -5.568  -0.282
   66    HB2  PRO   8           HB2      PRO   8  -9.585  -3.192  -1.754
   67    HB3  PRO   8           HB1      PRO   8  -9.274  -3.390  -0.017
   68    HG2  PRO   8           HG2      PRO   8  -7.696  -1.904  -1.575
   69    HG3  PRO   8           HG1      PRO   8  -7.053  -2.846  -0.216
   70    HD2  PRO   8           HD2      PRO   8  -6.955  -3.445  -3.145
   71    HD3  PRO   8           HD1      PRO   8  -5.724  -3.716  -1.888
   72    H    GLY   9           HN       GLY   9 -10.298  -6.883  -0.644
   73    HA2  GLY   9           HA2      GLY   9 -11.381  -7.062  -3.363
   74    HA3  GLY   9           HA1      GLY   9 -11.586  -8.262  -2.097
   75    H    ASP  10           HN       ASP  10 -12.876  -7.485  -0.171
   76    HA   ASP  10           HA       ASP  10 -15.272  -6.153  -1.184
   77    HB2  ASP  10           HB2      ASP  10 -15.636  -8.287  -0.087
   78    HB3  ASP  10           HB1      ASP  10 -14.792  -7.732   1.354
   79    H    ASN  11           HN       ASN  11 -12.711  -5.761   1.160
   80    HA   ASN  11           HA       ASN  11 -13.911  -3.474   2.422
   81    HB2  ASN  11           HB2      ASN  11 -11.863  -3.229   3.668
   82    HB3  ASN  11           HB1      ASN  11 -12.291  -4.932   3.629
   83   HD21  ASN  11          HD21      ASN  11 -10.927  -6.368   2.664
   84   HD22  ASN  11          HD22      ASN  11  -9.363  -5.942   2.071
   85    H    ALA  12           HN       ALA  12 -13.068  -3.746  -0.567
   86    HA   ALA  12           HA       ALA  12 -11.272  -1.581  -1.032
   87    HB1  ALA  12           HB1      ALA  12 -13.142  -2.982  -2.934
   88    HB2  ALA  12           HB2      ALA  12 -11.486  -3.470  -2.575
   89    HB3  ALA  12           HB3      ALA  12 -11.798  -1.931  -3.382
   90    H    THR  13           HN       THR  13 -13.741  -1.031   0.539
   91    HA   THR  13           HA       THR  13 -15.595   0.489  -0.906
   92    HB   THR  13           HB       THR  13 -16.027   1.623   1.297
   93    HG1  THR  13           HG1      THR  13 -14.483  -0.194   2.688
   94   HG21  THR  13          HG21      THR  13 -15.906  -1.391   1.368
   95   HG22  THR  13          HG22      THR  13 -17.188  -0.433   0.633
   96   HG23  THR  13          HG23      THR  13 -16.928  -0.367   2.376
   97    HA   PRO  14           HA       PRO  14 -13.495   3.954  -2.540
   98    HB2  PRO  14           HB2      PRO  14 -15.650   5.545  -1.199
   99    HB3  PRO  14           HB1      PRO  14 -15.074   5.624  -2.874
  100    HG2  PRO  14           HG2      PRO  14 -17.349   4.399  -2.240
  101    HG3  PRO  14           HG1      PRO  14 -16.288   3.807  -3.537
  102    HD2  PRO  14           HD2      PRO  14 -16.810   2.643  -0.873
  103    HD3  PRO  14           HD1      PRO  14 -16.218   1.865  -2.351
  104    H    GLU  15           HN       GLU  15 -14.619   4.331   0.814
  105    HA   GLU  15           HA       GLU  15 -12.858   6.521   1.347
  106    HB2  GLU  15           HB2      GLU  15 -14.590   4.794   3.088
  107    HB3  GLU  15           HB1      GLU  15 -13.540   6.031   3.763
  108    HG2  GLU  15           HG2      GLU  15 -14.702   7.751   2.587
  109    HG3  GLU  15           HG1      GLU  15 -15.637   6.566   1.681
  110    H    LYS  16           HN       LYS  16 -12.673   3.052   1.823
  111    HA   LYS  16           HA       LYS  16 -10.206   3.297   3.338
  112    HB2  LYS  16           HB2      LYS  16 -11.852   1.562   3.961
  113    HB3  LYS  16           HB1      LYS  16 -11.652   0.814   2.377
  114    HG2  LYS  16           HG2      LYS  16  -9.304   0.364   2.888
  115    HG3  LYS  16           HG1      LYS  16  -9.504   1.115   4.472
  116    HD2  LYS  16           HD2      LYS  16 -11.213  -0.581   5.017
  117    HD3  LYS  16           HD1      LYS  16 -10.916  -1.351   3.459
  118    HE2  LYS  16           HE2      LYS  16  -8.880  -0.975   5.653
  119    HE3  LYS  16           HE1      LYS  16  -9.724  -2.476   5.283
  120    HZ1  LYS  16           HZ1      LYS  16  -8.696  -2.473   3.096
  121    HZ2  LYS  16           HZ2      LYS  16  -7.520  -2.444   4.314
  122    HZ3  LYS  16           HZ3      LYS  16  -7.880  -1.032   3.458
  123    H    LEU  17           HN       LEU  17 -11.319   2.493   0.134
  124    HA   LEU  17           HA       LEU  17  -8.962   1.367  -0.898
  125    HB2  LEU  17           HB2      LEU  17 -11.221   1.320  -1.966
  126    HB3  LEU  17           HB1      LEU  17 -11.017   3.014  -2.367
  127    HG   LEU  17           HG       LEU  17  -9.112   2.443  -3.808
  128   HD11  LEU  17          HD11      LEU  17  -8.313   0.464  -2.652
  129   HD12  LEU  17          HD12      LEU  17  -8.672   0.081  -4.333
  130   HD13  LEU  17          HD13      LEU  17  -9.793  -0.397  -3.059
  131   HD21  LEU  17          HD21      LEU  17 -11.367   2.547  -4.729
  132   HD22  LEU  17          HD22      LEU  17 -11.604   0.841  -4.348
  133   HD23  LEU  17          HD23      LEU  17 -10.403   1.319  -5.551
  134    H    ALA  18           HN       ALA  18 -10.029   4.649  -0.437
  135    HA   ALA  18           HA       ALA  18  -7.951   5.937  -1.862
  136    HB1  ALA  18           HB1      ALA  18  -8.654   7.942  -0.652
  137    HB2  ALA  18           HB2      ALA  18  -9.647   6.946   0.414
  138    HB3  ALA  18           HB3      ALA  18 -10.037   7.059  -1.300
  139    H    LYS  19           HN       LYS  19  -8.393   5.049   1.538
  140    HA   LYS  19           HA       LYS  19  -5.938   6.086   2.465
  141    HB2  LYS  19           HB2      LYS  19  -7.800   5.506   3.969
  142    HB3  LYS  19           HB1      LYS  19  -7.591   3.805   3.578
  143    HG2  LYS  19           HG2      LYS  19  -6.595   4.293   5.721
  144    HG3  LYS  19           HG1      LYS  19  -5.343   3.863   4.554
  145    HD2  LYS  19           HD2      LYS  19  -4.890   6.267   4.202
  146    HD3  LYS  19           HD1      LYS  19  -6.085   6.650   5.443
  147    HE2  LYS  19           HE2      LYS  19  -4.772   5.432   7.095
  148    HE3  LYS  19           HE1      LYS  19  -3.593   5.006   5.856
  149    HZ1  LYS  19           HZ1      LYS  19  -4.200   7.725   6.878
  150    HZ2  LYS  19           HZ2      LYS  19  -3.200   7.419   5.555
  151    HZ3  LYS  19           HZ3      LYS  19  -2.767   6.852   7.087
  152    HA   4PH  20           HA       4PH  20  -4.529   1.555   1.475
  153    HB2  4PH  20           HB1      4PH  20  -6.550   1.488  -0.770
  154    HB3  4PH  20           HB2      4PH  20  -6.549   0.487   0.672
  155    HD2  4PH  20           HD2      4PH  20  -4.501  -1.078   0.981
  156    HD1  4PH  20           HD1      4PH  20  -5.625   0.696  -2.712
  157    HE2  4PH  20           HE2      4PH  20  -3.230  -2.798  -0.227
  158    HE1  4PH  20           HE1      4PH  20  -4.356  -1.016  -3.929
  159    H33  4PH  20           H33      4PH  20  -1.966  -2.621  -2.973
  160   H33A  4PH  20          H33A      4PH  20  -2.983  -3.895  -2.285
  161   H33B  4PH  20          H33B      4PH  20  -3.430  -3.121  -3.812
  162    H    4PH  20           HN       4PH  20  -6.890   2.981   1.125
  163    H    GLN  21           HN       GLN  21  -5.467   3.799  -1.117
  164    HA   GLN  21           HA       GLN  21  -3.163   3.572  -2.690
  165    HB2  GLN  21           HB2      GLN  21  -4.957   5.963  -2.250
  166    HB3  GLN  21           HB1      GLN  21  -3.751   5.841  -3.523
  167    HG2  GLN  21           HG2      GLN  21  -6.108   4.004  -3.190
  168    HG3  GLN  21           HG1      GLN  21  -6.028   5.368  -4.307
  169   HE21  GLN  21          HE21      GLN  21  -4.852   2.170  -3.599
  170   HE22  GLN  21          HE22      GLN  21  -4.195   1.853  -5.159
  171    H    ALA  22           HN       ALA  22  -3.807   5.427   0.207
  172    HA   ALA  22           HA       ALA  22  -1.500   7.063   0.126
  173    HB1  ALA  22           HB1      ALA  22  -3.152   6.191   2.489
  174    HB2  ALA  22           HB2      ALA  22  -3.464   7.601   1.475
  175    HB3  ALA  22           HB3      ALA  22  -2.004   7.530   2.463
  176    H    ASP  23           HN       ASP  23  -2.213   3.923   1.571
  177    HA   ASP  23           HA       ASP  23   0.305   3.623   2.861
  178    HB2  ASP  23           HB2      ASP  23  -1.775   2.276   3.389
  179    HB3  ASP  23           HB1      ASP  23  -1.469   1.371   1.909
  180    H    LEU  24           HN       LEU  24  -0.915   2.774  -0.335
  181    HA   LEU  24           HA       LEU  24   1.356   1.428  -1.279
  182    HB2  LEU  24           HB2      LEU  24  -0.855   2.933  -2.593
  183    HB3  LEU  24           HB1      LEU  24   0.567   2.552  -3.547
  184    HG   LEU  24           HG       LEU  24  -1.324   0.930  -3.780
  185   HD11  LEU  24          HD11      LEU  24   1.251  -0.190  -2.679
  186   HD12  LEU  24          HD12      LEU  24   0.980   0.329  -4.342
  187   HD13  LEU  24          HD13      LEU  24   0.087  -1.048  -3.693
  188   HD21  LEU  24          HD21      LEU  24  -2.091   0.932  -1.473
  189   HD22  LEU  24          HD22      LEU  24  -0.568   0.206  -0.956
  190   HD23  LEU  24          HD23      LEU  24  -1.669  -0.698  -1.998
  191    H    ALA  25           HN       ALA  25   0.614   4.844  -1.016
  192    HA   ALA  25           HA       ALA  25   2.830   5.825  -2.457
  193    HB1  ALA  25           HB1      ALA  25   2.410   7.931  -1.289
  194    HB2  ALA  25           HB2      ALA  25   1.336   7.095  -0.167
  195    HB3  ALA  25           HB3      ALA  25   0.908   7.213  -1.873
  196    H    LYS  26           HN       LYS  26   2.399   4.888   0.916
  197    HA   LYS  26           HA       LYS  26   4.994   5.610   1.791
  198    HB2  LYS  26           HB2      LYS  26   3.036   3.549   2.823
  199    HB3  LYS  26           HB1      LYS  26   4.551   3.929   3.622
  200    HG2  LYS  26           HG2      LYS  26   2.315   5.875   3.116
  201    HG3  LYS  26           HG1      LYS  26   2.644   5.064   4.647
  202    HD2  LYS  26           HD2      LYS  26   4.957   6.111   4.527
  203    HD3  LYS  26           HD1      LYS  26   4.319   7.116   3.223
  204    HE2  LYS  26           HE2      LYS  26   4.115   8.366   5.238
  205    HE3  LYS  26           HE1      LYS  26   2.498   7.826   4.790
  206    HZ1  LYS  26           HZ1      LYS  26   2.800   7.491   7.118
  207    HZ2  LYS  26           HZ2      LYS  26   4.251   6.655   6.878
  208    HZ3  LYS  26           HZ3      LYS  26   2.788   5.970   6.380
  209    HA   4PH  27           HA       4PH  27   5.874   0.985   0.868
  210    HB2  4PH  27           HB1      4PH  27   3.453   0.800  -0.918
  211    HB3  4PH  27           HB2      4PH  27   3.804  -0.127   0.531
  212    HD2  4PH  27           HD2      4PH  27   3.667  -0.263  -2.919
  213    HD1  4PH  27           HD1      4PH  27   6.086  -1.549   0.342
  214    HE2  4PH  27           HE2      4PH  27   4.611  -2.037  -4.326
  215    HE1  4PH  27           HE1      4PH  27   7.028  -3.332  -1.063
  216    H33  4PH  27           H33      4PH  27   7.440  -3.977  -3.254
  217   H33A  4PH  27          H33A      4PH  27   5.837  -4.668  -3.527
  218   H33B  4PH  27          H33B      4PH  27   6.462  -3.414  -4.604
  219    H    4PH  27           HN       4PH  27   3.591   2.590   0.598
  220    H    GLN  28           HN       GLN  28   4.701   2.847  -1.930
  221    HA   GLN  28           HA       GLN  28   6.751   1.971  -3.668
  222    HB2  GLN  28           HB2      GLN  28   4.921   4.366  -3.765
  223    HB3  GLN  28           HB1      GLN  28   6.079   3.987  -5.037
  224    HG2  GLN  28           HG2      GLN  28   3.845   2.186  -4.115
  225    HG3  GLN  28           HG1      GLN  28   3.823   3.187  -5.562
  226   HE21  GLN  28          HE21      GLN  28   3.562   0.311  -5.332
  227   HE22  GLN  28          HE22      GLN  28   4.834  -0.375  -6.276
  228    H    LYS  29           HN       LYS  29   6.473   4.783  -1.544
  229    HA   LYS  29           HA       LYS  29   8.850   6.041  -2.451
  230    HB2  LYS  29           HB2      LYS  29   7.036   7.213  -1.207
  231    HB3  LYS  29           HB1      LYS  29   7.498   6.326   0.241
  232    HG2  LYS  29           HG2      LYS  29   9.731   7.357   0.126
  233    HG3  LYS  29           HG1      LYS  29   9.203   8.294  -1.273
  234    HD2  LYS  29           HD2      LYS  29   7.402   9.266   0.145
  235    HD3  LYS  29           HD1      LYS  29   8.099   8.425   1.529
  236    HE2  LYS  29           HE2      LYS  29   9.481  10.493  -0.176
  237    HE3  LYS  29           HE1      LYS  29   8.840  10.748   1.445
  238    HZ1  LYS  29           HZ1      LYS  29  11.229  10.380   1.470
  239    HZ2  LYS  29           HZ2      LYS  29  11.031   8.872   0.736
  240    HZ3  LYS  29           HZ3      LYS  29  10.426   9.140   2.290
  241    H    ASP  30           HN       ASP  30   8.126   3.791   0.175
  242    HA   ASP  30           HA       ASP  30  10.768   3.851   1.259
  243    HB2  ASP  30           HB2      ASP  30   8.841   3.234   2.654
  244    HB3  ASP  30           HB1      ASP  30   8.570   1.806   1.661
  245    H    LEU  31           HN       LEU  31   9.101   1.829  -1.083
  246    HA   LEU  31           HA       LEU  31  11.022  -0.216  -1.290
  247    HB2  LEU  31           HB2      LEU  31   8.599   0.031  -2.281
  248    HB3  LEU  31           HB1      LEU  31   9.431   0.742  -3.646
  249    HG   LEU  31           HG       LEU  31   8.873  -1.655  -3.950
  250   HD11  LEU  31          HD11      LEU  31  11.059  -2.370  -4.769
  251   HD12  LEU  31          HD12      LEU  31  11.820  -1.046  -3.885
  252   HD13  LEU  31          HD13      LEU  31  10.710  -0.699  -5.211
  253   HD21  LEU  31          HD21      LEU  31  10.025  -3.353  -2.716
  254   HD22  LEU  31          HD22      LEU  31   9.187  -2.290  -1.583
  255   HD23  LEU  31          HD23      LEU  31  10.931  -2.141  -1.811
  256    H    ALA  32           HN       ALA  32  10.644   2.857  -2.992
  257    HA   ALA  32           HA       ALA  32  12.833   2.587  -4.736
  258    HB1  ALA  32           HB1      ALA  32  11.594   5.098  -3.621
  259    HB2  ALA  32           HB2      ALA  32  11.064   4.235  -5.065
  260    HB3  ALA  32           HB3      ALA  32  12.651   5.004  -5.029
  261    H    ASP  33           HN       ASP  33  12.534   3.982  -1.509
  262    HA   ASP  33           HA       ASP  33  15.184   4.914  -1.260
  263    HB2  ASP  33           HB2      ASP  33  13.447   5.666   0.270
  264    HB3  ASP  33           HB1      ASP  33  13.220   4.027   0.866
  265    HA   4PH  34           HA       4PH  34  15.947   0.613   0.618
  266    HB2  4PH  34           HB1      4PH  34  13.637  -0.714  -0.812
  267    HB3  4PH  34           HB2      4PH  34  13.595  -0.182   0.863
  268    HD2  4PH  34           HD2      4PH  34  14.202  -2.908  -1.263
  269    HD1  4PH  34           HD1      4PH  34  15.485  -1.137   2.386
  270    HE2  4PH  34           HE2      4PH  34  15.078  -5.079  -0.520
  271    HE1  4PH  34           HE1      4PH  34  16.363  -3.306   3.135
  272    H33  4PH  34           H33      4PH  34  17.274  -5.673   1.472
  273   H33A  4PH  34          H33A      4PH  34  16.184  -5.614   2.859
  274   H33B  4PH  34          H33B      4PH  34  15.650  -6.339   1.338
  275    H    4PH  34           HN       4PH  34  13.687   1.815  -0.595
  276    HN1  NH2  35           HN1      NH2  35  14.649   0.604  -2.663
  277    HN2  NH2  35           HN2      NH2  35  16.071  -0.016  -3.425
  Start of MODEL   20
    1    H1   ACE   0           HA1      ACE   0  14.520  -3.080   4.057
    2    H2   ACE   0           HA2      ACE   0  14.259  -1.889   5.329
    3    H3   ACE   0           HA3      ACE   0  13.219  -1.860   3.908
    4    HA   PRO   1           HA       PRO   1  12.548  -4.383   2.595
    5    HB2  PRO   1           HB2      PRO   1  11.008  -6.746   3.558
    6    HB3  PRO   1           HB1      PRO   1  12.151  -6.622   2.206
    7    HG2  PRO   1           HG2      PRO   1  12.839  -7.861   4.430
    8    HG3  PRO   1           HG1      PRO   1  14.000  -6.838   3.554
    9    HD2  PRO   1           HD2      PRO   1  12.480  -6.242   6.063
   10    HD3  PRO   1           HD1      PRO   1  14.149  -5.815   5.618
   11    HA   PRO   2           HA       PRO   2   8.643  -2.216   3.258
   12    HB2  PRO   2           HB2      PRO   2   8.594  -2.242   0.303
   13    HB3  PRO   2           HB1      PRO   2   8.545  -0.860   1.415
   14    HG2  PRO   2           HG2      PRO   2  10.693  -1.431  -0.065
   15    HG3  PRO   2           HG1      PRO   2  10.803  -0.699   1.545
   16    HD2  PRO   2           HD2      PRO   2  11.372  -3.493   0.698
   17    HD3  PRO   2           HD1      PRO   2  12.131  -2.514   1.971
   18    H    THR   3           HN       THR   3   7.109  -3.627   3.902
   19    HA   THR   3           HA       THR   3   6.382  -5.939   2.416
   20    HB   THR   3           HB       THR   3   4.446  -5.959   4.118
   21    HG1  THR   3           HG1      THR   3   4.392  -4.388   5.558
   22   HG21  THR   3          HG21      THR   3   6.448  -7.350   4.310
   23   HG22  THR   3          HG22      THR   3   5.922  -6.771   5.890
   24   HG23  THR   3          HG23      THR   3   7.303  -6.022   5.091
   25    H    LYS   4           HN       LYS   4   5.319  -5.796   0.564
   26    HA   LYS   4           HA       LYS   4   3.783  -3.570  -0.227
   27    HB2  LYS   4           HB2      LYS   4   3.051  -4.991  -2.129
   28    HB3  LYS   4           HB1      LYS   4   4.794  -4.968  -1.907
   29    HG2  LYS   4           HG2      LYS   4   4.803  -7.132  -0.990
   30    HG3  LYS   4           HG1      LYS   4   3.048  -7.140  -0.818
   31    HD2  LYS   4           HD2      LYS   4   3.764  -8.501  -2.721
   32    HD3  LYS   4           HD1      LYS   4   2.815  -7.112  -3.251
   33    HE2  LYS   4           HE2      LYS   4   4.875  -5.924  -3.821
   34    HE3  LYS   4           HE1      LYS   4   5.826  -7.307  -3.279
   35    HZ1  LYS   4           HZ1      LYS   4   5.525  -7.252  -5.694
   36    HZ2  LYS   4           HZ2      LYS   4   3.852  -7.370  -5.492
   37    HZ3  LYS   4           HZ3      LYS   4   4.855  -8.643  -5.005
   38    HA   PRO   5           HA       PRO   5  -0.072  -4.403   1.779
   39    HB2  PRO   5           HB2      PRO   5  -1.672  -2.888   0.173
   40    HB3  PRO   5           HB1      PRO   5  -0.617  -2.194   1.413
   41    HG2  PRO   5           HG2      PRO   5  -0.184  -2.403  -1.522
   42    HG3  PRO   5           HG1      PRO   5   0.171  -1.062  -0.415
   43    HD2  PRO   5           HD2      PRO   5   2.080  -2.752  -1.292
   44    HD3  PRO   5           HD1      PRO   5   2.133  -2.007   0.324
   45    H    THR   6           HN       THR   6  -1.956  -5.588   1.480
   46    HA   THR   6           HA       THR   6  -1.986  -7.296  -0.859
   47    HB   THR   6           HB       THR   6  -2.364  -8.257   1.399
   48    HG1  THR   6           HG1      THR   6  -4.633  -9.141   0.616
   49   HG21  THR   6          HG21      THR   6  -4.954  -6.718   1.276
   50   HG22  THR   6          HG22      THR   6  -3.633  -6.444   2.410
   51   HG23  THR   6          HG23      THR   6  -4.554  -7.946   2.475
   52    H    LYS   7           HN       LYS   7  -3.911  -7.620  -2.112
   53    HA   LYS   7           HA       LYS   7  -5.101  -5.105  -2.864
   54    HB2  LYS   7           HB2      LYS   7  -5.805  -7.806  -3.996
   55    HB3  LYS   7           HB1      LYS   7  -5.908  -6.241  -4.783
   56    HG2  LYS   7           HG2      LYS   7  -3.335  -7.608  -4.016
   57    HG3  LYS   7           HG1      LYS   7  -4.059  -7.651  -5.621
   58    HD2  LYS   7           HD2      LYS   7  -3.174  -5.150  -4.179
   59    HD3  LYS   7           HD1      LYS   7  -2.242  -5.989  -5.419
   60    HE2  LYS   7           HE2      LYS   7  -4.970  -4.756  -5.801
   61    HE3  LYS   7           HE1      LYS   7  -3.443  -4.053  -6.326
   62    HZ1  LYS   7           HZ1      LYS   7  -3.110  -5.886  -7.816
   63    HZ2  LYS   7           HZ2      LYS   7  -4.630  -5.207  -8.114
   64    HZ3  LYS   7           HZ3      LYS   7  -4.506  -6.659  -7.260
   65    HA   PRO   8           HA       PRO   8  -8.588  -5.885  -0.112
   66    HB2  PRO   8           HB2      PRO   8  -9.646  -3.377  -1.218
   67    HB3  PRO   8           HB1      PRO   8  -9.186  -3.759   0.451
   68    HG2  PRO   8           HG2      PRO   8  -7.779  -2.060  -1.084
   69    HG3  PRO   8           HG1      PRO   8  -7.023  -3.080   0.157
   70    HD2  PRO   8           HD2      PRO   8  -7.083  -3.452  -2.810
   71    HD3  PRO   8           HD1      PRO   8  -5.767  -3.762  -1.654
   72    H    GLY   9           HN       GLY   9 -10.387  -7.024  -0.535
   73    HA2  GLY   9           HA2      GLY   9 -11.389  -7.003  -3.296
   74    HA3  GLY   9           HA1      GLY   9 -11.658  -8.282  -2.125
   75    H    ASP  10           HN       ASP  10 -12.994  -7.629  -0.195
   76    HA   ASP  10           HA       ASP  10 -15.379  -6.276  -1.178
   77    HB2  ASP  10           HB2      ASP  10 -16.530  -7.253   0.673
   78    HB3  ASP  10           HB1      ASP  10 -15.456  -8.496   0.042
   79    H    ASN  11           HN       ASN  11 -12.772  -5.803   1.005
   80    HA   ASN  11           HA       ASN  11 -13.995  -3.545   2.345
   81    HB2  ASN  11           HB2      ASN  11 -11.871  -3.422   3.594
   82    HB3  ASN  11           HB1      ASN  11 -12.576  -5.033   3.660
   83   HD21  ASN  11          HD21      ASN  11  -9.848  -4.280   4.122
   84   HD22  ASN  11          HD22      ASN  11  -8.890  -5.128   2.963
   85    H    ALA  12           HN       ALA  12 -13.042  -3.843  -0.606
   86    HA   ALA  12           HA       ALA  12 -11.112  -1.742  -0.922
   87    HB1  ALA  12           HB1      ALA  12 -11.248  -3.716  -2.416
   88    HB2  ALA  12           HB2      ALA  12 -11.305  -2.176  -3.272
   89    HB3  ALA  12           HB3      ALA  12 -12.785  -3.102  -3.021
   90    H    THR  13           HN       THR  13 -13.735  -1.157   0.346
   91    HA   THR  13           HA       THR  13 -15.413   0.324  -1.333
   92    HB   THR  13           HB       THR  13 -15.975   1.534   0.877
   93    HG1  THR  13           HG1      THR  13 -14.713   1.072   2.507
   94   HG21  THR  13          HG21      THR  13 -17.232  -0.393   1.690
   95   HG22  THR  13          HG22      THR  13 -16.242  -1.466   0.703
   96   HG23  THR  13          HG23      THR  13 -17.306  -0.292  -0.069
   97    HA   PRO  14           HA       PRO  14 -13.282   3.917  -2.693
   98    HB2  PRO  14           HB2      PRO  14 -15.619   5.340  -1.471
   99    HB3  PRO  14           HB1      PRO  14 -14.884   5.555  -3.070
  100    HG2  PRO  14           HG2      PRO  14 -17.145   4.190  -2.754
  101    HG3  PRO  14           HG1      PRO  14 -15.926   3.728  -3.963
  102    HD2  PRO  14           HD2      PRO  14 -16.667   2.370  -1.451
  103    HD3  PRO  14           HD1      PRO  14 -15.861   1.721  -2.888
  104    H    GLU  15           HN       GLU  15 -14.694   4.094   0.569
  105    HA   GLU  15           HA       GLU  15 -13.128   6.293   1.421
  106    HB2  GLU  15           HB2      GLU  15 -14.660   4.189   2.927
  107    HB3  GLU  15           HB1      GLU  15 -13.760   5.453   3.750
  108    HG2  GLU  15           HG2      GLU  15 -15.116   7.139   2.567
  109    HG3  GLU  15           HG1      GLU  15 -16.048   5.837   1.836
  110    H    LYS  16           HN       LYS  16 -12.680   2.788   1.769
  111    HA   LYS  16           HA       LYS  16 -10.222   3.168   3.240
  112    HB2  LYS  16           HB2      LYS  16 -11.744   1.243   3.712
  113    HB3  LYS  16           HB1      LYS  16 -11.367   0.600   2.114
  114    HG2  LYS  16           HG2      LYS  16  -8.986   0.482   2.769
  115    HG3  LYS  16           HG1      LYS  16  -9.433   1.022   4.386
  116    HD2  LYS  16           HD2      LYS  16 -10.917  -0.966   4.574
  117    HD3  LYS  16           HD1      LYS  16 -10.302  -1.520   3.015
  118    HE2  LYS  16           HE2      LYS  16  -8.681  -1.062   5.518
  119    HE3  LYS  16           HE1      LYS  16  -9.126  -2.624   4.834
  120    HZ1  LYS  16           HZ1      LYS  16  -6.830  -1.892   4.309
  121    HZ2  LYS  16           HZ2      LYS  16  -7.473  -0.613   3.411
  122    HZ3  LYS  16           HZ3      LYS  16  -7.770  -2.209   2.942
  123    H    LEU  17           HN       LEU  17 -11.251   2.662  -0.019
  124    HA   LEU  17           HA       LEU  17  -8.856   1.697  -1.130
  125    HB2  LEU  17           HB2      LEU  17 -11.164   1.817  -2.194
  126    HB3  LEU  17           HB1      LEU  17 -10.818   3.506  -2.513
  127    HG   LEU  17           HG       LEU  17  -8.832   2.775  -3.845
  128   HD11  LEU  17          HD11      LEU  17  -8.482   0.594  -2.841
  129   HD12  LEU  17          HD12      LEU  17  -8.770   0.424  -4.573
  130   HD13  LEU  17          HD13      LEU  17 -10.054   0.051  -3.422
  131   HD21  LEU  17          HD21      LEU  17 -10.896   3.384  -4.936
  132   HD22  LEU  17          HD22      LEU  17 -11.546   1.767  -4.672
  133   HD23  LEU  17          HD23      LEU  17 -10.178   2.000  -5.762
  134    H    ALA  18           HN       ALA  18  -9.970   4.865  -0.250
  135    HA   ALA  18           HA       ALA  18  -7.931   6.376  -1.510
  136    HB1  ALA  18           HB1      ALA  18  -8.638   8.167   0.046
  137    HB2  ALA  18           HB2      ALA  18  -9.673   6.999   0.869
  138    HB3  ALA  18           HB3      ALA  18  -9.989   7.424  -0.811
  139    H    LYS  19           HN       LYS  19  -8.365   5.189   1.811
  140    HA   LYS  19           HA       LYS  19  -5.889   6.039   2.822
  141    HB2  LYS  19           HB2      LYS  19  -7.747   5.289   4.253
  142    HB3  LYS  19           HB1      LYS  19  -7.565   3.653   3.639
  143    HG2  LYS  19           HG2      LYS  19  -5.359   3.495   4.629
  144    HG3  LYS  19           HG1      LYS  19  -5.484   5.159   5.205
  145    HD2  LYS  19           HD2      LYS  19  -7.365   4.558   6.615
  146    HD3  LYS  19           HD1      LYS  19  -7.333   2.909   5.989
  147    HE2  LYS  19           HE2      LYS  19  -5.117   2.578   6.941
  148    HE3  LYS  19           HE1      LYS  19  -5.107   4.240   7.527
  149    HZ1  LYS  19           HZ1      LYS  19  -5.698   2.624   9.257
  150    HZ2  LYS  19           HZ2      LYS  19  -7.059   2.164   8.366
  151    HZ3  LYS  19           HZ3      LYS  19  -6.940   3.735   8.976
  152    HA   4PH  20           HA       4PH  20  -4.547   1.656   1.266
  153    HB2  4PH  20           HB1      4PH  20  -6.539   1.866  -0.995
  154    HB3  4PH  20           HB2      4PH  20  -6.661   0.790   0.388
  155    HD2  4PH  20           HD2      4PH  20  -4.637  -0.838   0.711
  156    HD1  4PH  20           HD1      4PH  20  -5.675   1.055  -2.953
  157    HE2  4PH  20           HE2      4PH  20  -3.425  -2.577  -0.524
  158    HE1  4PH  20           HE1      4PH  20  -4.465  -0.687  -4.199
  159    H33  4PH  20           H33      4PH  20  -2.786  -2.292  -4.049
  160   H33A  4PH  20          H33A      4PH  20  -2.353  -3.076  -2.527
  161   H33B  4PH  20          H33B      4PH  20  -3.841  -3.524  -3.367
  162    H    4PH  20           HN       4PH  20  -6.882   3.166   1.095
  163    H    GLN  21           HN       GLN  21  -5.462   4.227  -1.007
  164    HA   GLN  21           HA       GLN  21  -3.184   4.103  -2.635
  165    HB2  GLN  21           HB2      GLN  21  -5.007   6.400  -1.944
  166    HB3  GLN  21           HB1      GLN  21  -3.701   6.536  -3.115
  167    HG2  GLN  21           HG2      GLN  21  -5.984   4.586  -3.280
  168    HG3  GLN  21           HG1      GLN  21  -5.875   6.110  -4.164
  169   HE21  GLN  21          HE21      GLN  21  -4.586   2.892  -3.831
  170   HE22  GLN  21          HE22      GLN  21  -3.768   2.852  -5.350
  171    H    ALA  22           HN       ALA  22  -3.755   5.741   0.428
  172    HA   ALA  22           HA       ALA  22  -1.304   7.153   0.512
  173    HB1  ALA  22           HB1      ALA  22  -3.185   7.763   1.921
  174    HB2  ALA  22           HB2      ALA  22  -1.773   7.390   2.909
  175    HB3  ALA  22           HB3      ALA  22  -3.082   6.215   2.756
  176    H    ASP  23           HN       ASP  23  -2.332   3.965   1.566
  177    HA   ASP  23           HA       ASP  23   0.055   3.222   2.880
  178    HB2  ASP  23           HB2      ASP  23  -2.225   2.068   2.990
  179    HB3  ASP  23           HB1      ASP  23  -1.807   1.310   1.458
  180    H    LEU  24           HN       LEU  24  -1.029   2.941  -0.478
  181    HA   LEU  24           HA       LEU  24   1.254   1.589  -1.443
  182    HB2  LEU  24           HB2      LEU  24  -0.907   3.201  -2.712
  183    HB3  LEU  24           HB1      LEU  24   0.542   2.880  -3.643
  184    HG   LEU  24           HG       LEU  24  -1.300   1.286  -4.096
  185   HD11  LEU  24          HD11      LEU  24   0.053  -0.747  -3.940
  186   HD12  LEU  24          HD12      LEU  24   1.163   0.076  -2.846
  187   HD13  LEU  24          HD13      LEU  24   1.000   0.626  -4.512
  188   HD21  LEU  24          HD21      LEU  24  -1.822  -0.423  -2.426
  189   HD22  LEU  24          HD22      LEU  24  -2.283   1.192  -1.883
  190   HD23  LEU  24          HD23      LEU  24  -0.824   0.431  -1.250
  191    H    ALA  25           HN       ALA  25   0.491   5.007  -1.056
  192    HA   ALA  25           HA       ALA  25   2.748   6.064  -2.338
  193    HB1  ALA  25           HB1      ALA  25   2.324   8.086  -1.033
  194    HB2  ALA  25           HB2      ALA  25   1.232   7.182   0.018
  195    HB3  ALA  25           HB3      ALA  25   0.825   7.419  -1.681
  196    H    LYS  26           HN       LYS  26   2.279   4.892   0.957
  197    HA   LYS  26           HA       LYS  26   4.868   5.620   1.875
  198    HB2  LYS  26           HB2      LYS  26   2.929   3.534   2.889
  199    HB3  LYS  26           HB1      LYS  26   4.405   4.002   3.719
  200    HG2  LYS  26           HG2      LYS  26   2.045   5.779   3.134
  201    HG3  LYS  26           HG1      LYS  26   2.495   5.111   4.704
  202    HD2  LYS  26           HD2      LYS  26   4.636   6.345   4.566
  203    HD3  LYS  26           HD1      LYS  26   4.091   7.069   3.053
  204    HE2  LYS  26           HE2      LYS  26   2.158   8.032   4.258
  205    HE3  LYS  26           HE1      LYS  26   2.807   7.382   5.763
  206    HZ1  LYS  26           HZ1      LYS  26   4.830   8.712   5.354
  207    HZ2  LYS  26           HZ2      LYS  26   3.447   9.661   5.561
  208    HZ3  LYS  26           HZ3      LYS  26   4.076   9.414   4.012
  209    HA   4PH  27           HA       4PH  27   5.744   1.048   0.770
  210    HB2  4PH  27           HB1      4PH  27   3.345   0.967  -1.048
  211    HB3  4PH  27           HB2      4PH  27   3.662  -0.014   0.372
  212    HD2  4PH  27           HD2      4PH  27   3.565  -0.028  -3.085
  213    HD1  4PH  27           HD1      4PH  27   5.902  -1.483   0.163
  214    HE2  4PH  27           HE2      4PH  27   4.455  -1.803  -4.527
  215    HE1  4PH  27           HE1      4PH  27   6.791  -3.267  -1.280
  216    H33  4PH  27           H33      4PH  27   5.447  -3.903  -4.548
  217   H33A  4PH  27          H33A      4PH  27   7.085  -3.298  -4.288
  218   H33B  4PH  27          H33B      4PH  27   6.400  -4.512  -3.199
  219    H    4PH  27           HN       4PH  27   3.486   2.716   0.465
  220    H    GLN  28           HN       GLN  28   4.631   3.010  -1.981
  221    HA   GLN  28           HA       GLN  28   6.550   2.143  -3.819
  222    HB2  GLN  28           HB2      GLN  28   5.051   4.760  -3.642
  223    HB3  GLN  28           HB1      GLN  28   6.058   4.302  -5.011
  224    HG2  GLN  28           HG2      GLN  28   3.642   2.782  -4.039
  225    HG3  GLN  28           HG1      GLN  28   3.674   3.882  -5.412
  226   HE21  GLN  28          HE21      GLN  28   3.013   1.060  -5.332
  227   HE22  GLN  28          HE22      GLN  28   4.106   0.273  -6.410
  228    H    LYS  29           HN       LYS  29   6.635   4.848  -1.540
  229    HA   LYS  29           HA       LYS  29   9.122   5.871  -2.442
  230    HB2  LYS  29           HB2      LYS  29   7.510   7.242  -1.201
  231    HB3  LYS  29           HB1      LYS  29   7.736   6.232   0.220
  232    HG2  LYS  29           HG2      LYS  29  10.123   6.905   0.254
  233    HG3  LYS  29           HG1      LYS  29   9.785   8.011  -1.079
  234    HD2  LYS  29           HD2      LYS  29   8.157   9.192   0.312
  235    HD3  LYS  29           HD1      LYS  29   8.488   8.080   1.642
  236    HE2  LYS  29           HE2      LYS  29  10.457   9.977   0.370
  237    HE3  LYS  29           HE1      LYS  29   9.692  10.171   1.946
  238    HZ1  LYS  29           HZ1      LYS  29  11.566   8.006   1.163
  239    HZ2  LYS  29           HZ2      LYS  29  10.791   8.118   2.659
  240    HZ3  LYS  29           HZ3      LYS  29  11.906   9.300   2.196
  241    H    ASP  30           HN       ASP  30   8.198   3.674   0.180
  242    HA   ASP  30           HA       ASP  30  10.794   3.491   1.311
  243    HB2  ASP  30           HB2      ASP  30   8.465   2.815   2.303
  244    HB3  ASP  30           HB1      ASP  30   8.780   1.269   1.525
  245    H    LEU  31           HN       LEU  31   9.116   1.769  -1.235
  246    HA   LEU  31           HA       LEU  31  10.988  -0.343  -1.542
  247    HB2  LEU  31           HB2      LEU  31   8.527  -0.011  -2.440
  248    HB3  LEU  31           HB1      LEU  31   9.341   0.711  -3.809
  249    HG   LEU  31           HG       LEU  31   8.754  -1.620  -4.237
  250   HD11  LEU  31          HD11      LEU  31  11.724  -1.211  -3.982
  251   HD12  LEU  31          HD12      LEU  31  10.719  -0.758  -5.357
  252   HD13  LEU  31          HD13      LEU  31  10.937  -2.458  -4.948
  253   HD21  LEU  31          HD21      LEU  31  10.624  -2.307  -1.985
  254   HD22  LEU  31          HD22      LEU  31   9.737  -3.435  -3.008
  255   HD23  LEU  31          HD23      LEU  31   8.864  -2.375  -1.899
  256    H    ALA  32           HN       ALA  32  10.626   2.850  -2.980
  257    HA   ALA  32           HA       ALA  32  12.654   2.688  -4.901
  258    HB1  ALA  32           HB1      ALA  32  11.699   5.117  -3.398
  259    HB2  ALA  32           HB2      ALA  32  10.962   4.456  -4.856
  260    HB3  ALA  32           HB3      ALA  32  12.595   5.120  -4.918
  261    H    ASP  33           HN       ASP  33  12.728   3.571  -1.492
  262    HA   ASP  33           HA       ASP  33  15.490   4.287  -1.456
  263    HB2  ASP  33           HB2      ASP  33  13.970   5.108   0.273
  264    HB3  ASP  33           HB1      ASP  33  13.667   3.459   0.815
  265    HA   4PH  34           HA       4PH  34  15.991  -0.185  -0.210
  266    HB2  4PH  34           HB1      4PH  34  13.406  -1.238  -1.365
  267    HB3  4PH  34           HB2      4PH  34  13.578  -0.722   0.305
  268    HD2  4PH  34           HD2      4PH  34  13.532  -3.502  -1.750
  269    HD1  4PH  34           HD1      4PH  34  15.712  -1.836   1.505
  270    HE2  4PH  34           HE2      4PH  34  14.285  -5.751  -1.109
  271    HE1  4PH  34           HE1      4PH  34  16.467  -4.083   2.155
  272    H33  4PH  34           H33      4PH  34  15.089  -7.049   0.653
  273   H33A  4PH  34          H33A      4PH  34  16.771  -6.559   0.433
  274   H33B  4PH  34          H33B      4PH  34  15.982  -6.356   2.002
  275    H    4PH  34           HN       4PH  34  13.755   1.313  -1.260
  276    HN1  NH2  35           HN1      NH2  35  17.356   0.622  -1.993
  277    HN2  NH2  35           HN2      NH2  35  17.384  -0.268  -3.474