*HEADER    STRUCTURAL PROTEIN                      08-AUG-16   5LO2              
*TITLE     ENGINEERING PROTEIN STABILITY WITH ATOMIC PRECISION.                  
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: PPATYR;                                                    
*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,K.L.HUDSON,C.WILLIAMS,G.G.BARTLETT,J.W.HEAL,R.B.SESSIONS,   
*AUTHOR   2 M.P.CRUMP,D.N.WOOLFSON                                               
*REVDAT   1   17-MAY-17 5LO2    0                                                
# Restraints file 1: ambig.tbl




assign (segid "   A" and resid   28 and name   HN) (segid "   A" and resid   30 and name   HN) 3.568 1.591 1.591 weight 1.000 ! spec=Expt_40, no=22, id=20, vol=3.846000e+06
    or (segid "   A" and resid   28 and name   HN) (segid "   A" and resid   31 and name   HN)
assign (segid "   A" and resid   33 and name   HN) (segid "   A" and resid   30 and name   HN) 3.570 1.593 1.593 weight 1.000 ! spec=Expt_40, no=23, id=21, vol=3.701899e+06
    or (segid "   A" and resid   33 and name   HN) (segid "   A" and resid   31 and name   HN)
assign (segid "   A" and resid   34 and name   HN) (segid "   A" and resid   33 and name  HB1) 3.001 1.126 1.126 weight 1.000 ! spec=Expt_40, no=86, id=67, vol=1.038440e+07
    or (segid "   A" and resid   34 and name   HN) (segid "   A" and resid   33 and name  HB2)
assign (segid "   A" and resid   17 and name   HN) (segid "   A" and resid   17 and name  HB1) 2.381 0.709 0.709 weight 1.000 ! spec=Expt_40, no=114, id=91, vol=3.285602e+07
    or (segid "   A" and resid   18 and name   HN) (segid "   A" and resid   17 and name  HB1)
assign (segid "   A" and resid   17 and name   HN) (segid "   A" and resid   16 and name   HA) 2.592 0.840 0.840 weight 1.000 ! spec=Expt_40, no=131, id=108, vol=2.236365e+07
    or (segid "   A" and resid   17 and name   HN) (segid "   A" and resid   17 and name   HA)
    or (segid "   A" and resid   18 and name   HN) (segid "   A" and resid   17 and name   HA)
assign (segid "   A" and resid   16 and name   HN) (segid "   A" and resid   15 and name   HA) 2.548 0.812 0.812 weight 1.000 ! spec=Expt_40, no=136, id=113, vol=2.310176e+07
    or (segid "   A" and resid   16 and name   HN) (segid "   A" and resid   16 and name   HA)
assign (segid "   A" and resid   30 and name   HN) (segid "   A" and resid   27 and name   HA) 3.110 1.209 1.209 weight 1.000 ! spec=Expt_40, no=145, id=121, vol=7.615576e+06
    or (segid "   A" and resid   31 and name   HN) (segid "   A" and resid   27 and name   HA)
assign (segid "   A" and resid   30 and name   HN) (segid "   A" and resid   30 and name   HA) 2.641 0.872 0.872 weight 1.000 ! spec=Expt_40, no=146, id=122, vol=2.036184e+07
    or (segid "   A" and resid   31 and name   HN) (segid "   A" and resid   30 and name   HA)
assign (segid "   A" and resid   11 and name   HN) (segid "   A" and resid   11 and name  HB1) 2.854 1.018 1.018 weight 1.000 ! spec=Expt_40, no=171, id=146, vol=1.275416e+07
    or (segid "   A" and resid   11 and name   HN) (segid "   A" and resid   11 and name  HB2)
assign (segid "   A" and resid   30 and name   HN) (segid "   A" and resid   30 and name  HB2) 2.869 1.029 1.029 weight 1.000 ! spec=Expt_40, no=180, id=153, vol=1.096924e+07
    or (segid "   A" and resid   31 and name   HN) (segid "   A" and resid   30 and name  HB2)
assign (segid "   A" and resid   17 and name   HN) (segid "   A" and resid   17 and name HD21) 3.364 1.415 1.415 weight 1.000 ! spec=Expt_40, no=202, id=171, vol=1.085928e+07
    or (segid "   A" and resid   17 and name   HN) (segid "   A" and resid   17 and name HD23)
    or (segid "   A" and resid   17 and name   HN) (segid "   A" and resid   17 and name HD22)
    or (segid "   A" and resid   18 and name   HN) (segid "   A" and resid   17 and name HD21)
    or (segid "   A" and resid   18 and name   HN) (segid "   A" and resid   17 and name HD23)
    or (segid "   A" and resid   18 and name   HN) (segid "   A" and resid   17 and name HD22)
assign (segid "   A" and resid   20 and name   HN) (segid "   A" and resid   20 and name  HB1) 2.438 0.743 0.743 weight 1.000 ! spec=Expt_40, no=236, id=199, vol=3.200656e+07
    or (segid "   A" and resid   34 and name  HB2) (segid "   A" and resid   34 and name   HN)
assign (segid "   A" and resid   11 and name HD22) (segid "   A" and resid   11 and name  HB1) 2.454 0.753 0.753 weight 1.000 ! spec=Expt_40, no=240, id=203, vol=2.749970e+07
    or (segid "   A" and resid   11 and name HD22) (segid "   A" and resid   11 and name  HB2)
assign (segid "   A" and resid   17 and name   HN) (segid "   A" and resid   17 and name   HA) 2.591 0.839 0.839 weight 1.000 ! spec=Expt_40, no=275, id=238, vol=2.241378e+07
    or (segid "   A" and resid   18 and name   HN) (segid "   A" and resid   17 and name   HA)
assign (segid "   A" and resid   11 and name  HB2) (segid "   A" and resid   11 and name HD21) 3.629 1.646 1.646 weight 1.000 ! spec=Expt_40, no=304, id=264, vol=7.175836e+06
    or (segid "   A" and resid   11 and name  HB1) (segid "   A" and resid   11 and name HD21)
assign (segid "   A" and resid   21 and name   HN) (segid "   A" and resid   20 and name   HN) 2.467 0.761 0.761 weight 1.000 ! spec=Expt_40, no=417, id=343, vol=2.722090e+07
    or (segid "   A" and resid   21 and name   HN) (segid "   A" and resid   22 and name   HN)
assign (segid "   A" and resid   28 and name  HG1) (segid "   A" and resid   27 and name  HD1) 3.686 1.699 1.699 weight 1.000 ! spec=Expt_40, no=433, id=353, vol=6.545236e+06
    or (segid "   A" and resid   28 and name  HG1) (segid "   A" and resid   27 and name  HD2)
    or (segid "   A" and resid   28 and name  HG1) (segid "   A" and resid   28 and name HE22)
assign (segid "   A" and resid    7 and name   HA) (segid "   A" and resid    7 and name  HB1) 2.629 0.864 0.864 weight 1.000 ! spec=Expt_40, no=467, id=380, vol=1.730003e+07
    or (segid "   A" and resid    5 and name  HD2) (segid "   A" and resid    5 and name  HG1)
assign (segid "   A" and resid    1 and name  HD2) (segid "   A" and resid    1 and name  HB2) 3.430 1.471 1.471 weight 1.000 ! spec=Expt_40, no=476, id=388, vol=6.799105e+06
    or (segid "   A" and resid    1 and name  HD2) (segid "   A" and resid    1 and name  HG1)
assign (segid "   A" and resid   15 and name  HB1) (segid "   A" and resid   15 and name   HA) 2.556 0.817 0.817 weight 1.000 ! spec=Expt_40, no=551, id=459, vol=3.296158e+07
    or (segid "   A" and resid   19 and name  HB1) (segid "   A" and resid   16 and name   HA)
assign (segid "   A" and resid   26 and name  HB1) (segid "   A" and resid   26 and name   HA) 2.230 0.622 0.622 weight 1.000 ! spec=Expt_40, no=552, id=460, vol=4.864318e+07
    or (segid "   A" and resid   29 and name  HB1) (segid "   A" and resid   29 and name   HA)
assign (segid "   A" and resid   16 and name   HA) (segid "   A" and resid   19 and name  HB2) 2.491 0.775 0.775 weight 1.000 ! spec=Expt_40, no=553, id=461, vol=2.275772e+07
    or (segid "   A" and resid   25 and name   HA) (segid "   A" and resid   28 and name  HB2)
assign (segid "   A" and resid   14 and name  HB1) (segid "   A" and resid   14 and name  HD2) 3.696 1.707 1.707 weight 1.000 ! spec=Expt_40, no=575, id=478, vol=5.059276e+06
    or (segid "   A" and resid   15 and name  HB1) (segid "   A" and resid   14 and name  HD2)
assign (segid "   A" and resid   24 and name HD13) (segid "   A" and resid   24 and name  HB2) 3.091 1.195 1.195 weight 1.000 ! spec=Expt_40, no=613, id=510, vol=1.340395e+07
    or (segid "   A" and resid   24 and name HD12) (segid "   A" and resid   24 and name  HB2)
    or (segid "   A" and resid   24 and name HD11) (segid "   A" and resid   24 and name  HB2)
    or (segid "   A" and resid   31 and name HD11) (segid "   A" and resid   31 and name  HB1)
    or (segid "   A" and resid   31 and name HD13) (segid "   A" and resid   31 and name  HB1)
    or (segid "   A" and resid   31 and name HD12) (segid "   A" and resid   31 and name  HB1)
assign (segid "   A" and resid   32 and name   HN) (segid "   A" and resid   31 and name   HN) 2.486 0.772 0.772 weight 1.000 ! spec=Expt_41, no=18, id=534, vol=4.289036e+07
    or (segid "   A" and resid   30 and name   HN) (segid "   A" and resid   29 and name   HN)
assign (segid "   A" and resid   34 and name  HD1) (segid "   A" and resid   34 and name   HN) 3.060 1.170 1.170 weight 1.000 ! spec=Expt_41, no=41, id=555, vol=3.523913e+07
    or (segid "   A" and resid   34 and name  HD2) (segid "   A" and resid   34 and name   HN)
    or (segid "   A" and resid   20 and name  HD1) (segid "   A" and resid   20 and name   HN)
    or (segid "   A" and resid   20 and name  HD2) (segid "   A" and resid   20 and name   HN)
assign (segid "   A" and resid   12 and name   HN) (segid "   A" and resid   11 and name HD22) 3.892 1.894 1.894 weight 1.000 ! spec=Expt_41, no=42, id=556, vol=7.972998e+06
    or (segid "   A" and resid   12 and name   HN) (segid "   A" and resid   13 and name   HN)
assign (segid "   A" and resid   30 and name   HN) (segid "   A" and resid   26 and name   HA) 2.944 1.083 1.083 weight 1.000 ! spec=Expt_41, no=79, id=584, vol=2.132325e+07
    or (segid "   A" and resid   30 and name   HN) (segid "   A" and resid   29 and name   HA)
    or (segid "   A" and resid   31 and name   HN) (segid "   A" and resid   29 and name   HA)
assign (segid "   A" and resid   28 and name  HG1) (segid "   A" and resid   31 and name   HN) 3.381 1.429 1.429 weight 1.000 ! spec=Expt_41, no=84, id=588, vol=1.740250e+07
    or (segid "   A" and resid   33 and name  HB1) (segid "   A" and resid   30 and name   HN)
    or (segid "   A" and resid   33 and name  HB1) (segid "   A" and resid   31 and name   HN)
    or (segid "   A" and resid   33 and name  HB2) (segid "   A" and resid   30 and name   HN)
    or (segid "   A" and resid   33 and name  HB2) (segid "   A" and resid   31 and name   HN)
assign (segid "   A" and resid   21 and name  HG2) (segid "   A" and resid   21 and name HE21) 3.766 1.773 1.773 weight 1.000 ! spec=Expt_41, no=105, id=607, vol=1.305612e+07
    or (segid "   A" and resid   21 and name  HG1) (segid "   A" and resid   21 and name HE21)
assign (segid "   A" and resid   14 and name   HA) (segid "   A" and resid   17 and name   HN) 2.441 0.745 0.745 weight 1.000 ! spec=Expt_41, no=176, id=671, vol=5.475820e+07
    or (segid "   A" and resid   18 and name   HN) (segid "   A" and resid   18 and name   HA)
assign (segid "   A" and resid   19 and name   HA) (segid "   A" and resid   20 and name   HN) 2.923 1.068 1.068 weight 1.000 ! spec=Expt_41, no=183, id=677, vol=1.847086e+07
    or (segid "   A" and resid   19 and name   HA) (segid "   A" and resid   22 and name   HN)
assign (segid "   A" and resid   20 and name   HN) (segid "   A" and resid   17 and name   HA) 2.741 0.939 0.939 weight 1.000 ! spec=Expt_41, no=189, id=681, vol=3.100705e+07
    or (segid "   A" and resid   34 and name   HN) (segid "   A" and resid   34 and name   HA)
assign (segid "   A" and resid   29 and name   HA) (segid "   A" and resid   29 and name   HN) 2.358 0.695 0.695 weight 1.000 ! spec=Expt_41, no=195, id=687, vol=6.362777e+07
    or (segid "   A" and resid   32 and name   HN) (segid "   A" and resid   32 and name   HA)
assign (segid "   A" and resid   27 and name  HD1) (segid "   A" and resid    3 and name   HB) 3.457 1.494 1.494 weight 1.000 ! spec=Expt_41, no=202, id=694, vol=1.316737e+07
    or (segid "   A" and resid   27 and name  HD2) (segid "   A" and resid    3 and name   HB)
    or (segid "   A" and resid   27 and name  HD1) (segid "   A" and resid   24 and name   HA)
    or (segid "   A" and resid   27 and name  HD2) (segid "   A" and resid   24 and name   HA)
assign (segid "   A" and resid    7 and name   HA) (segid "   A" and resid   20 and name  HD1) 4.002 1.282 1.282 weight 1.000 ! spec=Expt_41, no=210, id=702, vol=1.285211e+07
    or (segid "   A" and resid    7 and name   HA) (segid "   A" and resid   20 and name  HD2)
    or (segid "   A" and resid    5 and name   HA) (segid "   A" and resid   20 and name  HD1)
    or (segid "   A" and resid    5 and name   HA) (segid "   A" and resid   20 and name  HD2)
    or (segid "   A" and resid    1 and name  HD2) (segid "   A" and resid   34 and name  HD1)
    or (segid "   A" and resid    1 and name  HD2) (segid "   A" and resid   34 and name  HD2)
assign (segid "   A" and resid   20 and name  HB1) (segid "   A" and resid   20 and name  HD1) 2.262 0.640 0.640 weight 1.000 ! spec=Expt_41, no=218, id=710, vol=7.325562e+07
    or (segid "   A" and resid   20 and name  HB1) (segid "   A" and resid   20 and name  HD2)
    or (segid "   A" and resid   34 and name  HD1) (segid "   A" and resid   34 and name  HB2)
    or (segid "   A" and resid   34 and name  HD2) (segid "   A" and resid   34 and name  HB2)
assign (segid "   A" and resid   11 and name  HB1) (segid "   A" and resid   12 and name   HN) 3.613 1.632 1.632 weight 1.000 ! spec=Expt_41, no=234, id=721, vol=1.150230e+07
    or (segid "   A" and resid   11 and name  HB2) (segid "   A" and resid   12 and name   HN)
assign (segid "   A" and resid   33 and name   HN) (segid "   A" and resid   33 and name  HB1) 2.480 0.769 0.769 weight 1.000 ! spec=Expt_41, no=241, id=726, vol=4.854184e+07
    or (segid "   A" and resid   33 and name   HN) (segid "   A" and resid   33 and name  HB2)
assign (segid "   A" and resid   29 and name   HN) (segid "   A" and resid   28 and name  HB2) 2.482 0.770 0.770 weight 1.000 ! spec=Expt_41, no=275, id=753, vol=3.350354e+07
    or (segid "   A" and resid   29 and name   HN) (segid "   A" and resid   29 and name  HB2)
assign (segid "   A" and resid   34 and name  HE1) (segid "   A" and resid    1 and name  HB2) 3.653 1.243 1.243 weight 1.000 ! spec=Expt_41, no=290, id=765, vol=1.157109e+07
    or (segid "   A" and resid   34 and name  HE2) (segid "   A" and resid    1 and name  HB2)
    or (segid "   A" and resid   34 and name  HE1) (segid "   A" and resid    1 and name  HG1)
    or (segid "   A" and resid   34 and name  HE2) (segid "   A" and resid    1 and name  HG1)
assign (segid "   A" and resid   27 and name   HN) (segid "   A" and resid   25 and name  HB1) 3.401 1.445 1.445 weight 1.000 ! spec=Expt_41, no=303, id=776, vol=1.255871e+07
    or (segid "   A" and resid   27 and name   HN) (segid "   A" and resid   25 and name  HB2)
    or (segid "   A" and resid   27 and name   HN) (segid "   A" and resid   25 and name  HB3)
    or (segid "   A" and resid   27 and name   HN) (segid "   A" and resid   26 and name  HG1)
    or (segid "   A" and resid   27 and name   HN) (segid "   A" and resid   26 and name  HG2)
assign (segid "   A" and resid   20 and name   HN) (segid "   A" and resid   18 and name  HB3) 3.250 1.320 1.320 weight 1.000 ! spec=Expt_41, no=304, id=777, vol=1.479512e+07
    or (segid "   A" and resid   20 and name   HN) (segid "   A" and resid   18 and name  HB1)
    or (segid "   A" and resid   20 and name   HN) (segid "   A" and resid   18 and name  HB2)
    or (segid "   A" and resid   20 and name   HN) (segid "   A" and resid   19 and name  HG1)
    or (segid "   A" and resid   20 and name   HN) (segid "   A" and resid   19 and name  HG2)
    or (segid "   A" and resid   22 and name   HN) (segid "   A" and resid   18 and name  HB3)
    or (segid "   A" and resid   22 and name   HN) (segid "   A" and resid   18 and name  HB1)
    or (segid "   A" and resid   22 and name   HN) (segid "   A" and resid   18 and name  HB2)
    or (segid "   A" and resid   34 and name   HN) (segid "   A" and resid   32 and name  HB3)
    or (segid "   A" and resid   34 and name   HN) (segid "   A" and resid   32 and name  HB1)
    or (segid "   A" and resid   34 and name   HN) (segid "   A" and resid   32 and name  HB2)
assign (segid "   A" and resid   31 and name   HN) (segid "   A" and resid   31 and name  HB2) 3.128 1.223 1.223 weight 1.000 ! spec=Expt_41, no=311, id=783, vol=2.752271e+07
    or (segid "   A" and resid   31 and name   HN) (segid "   A" and resid   32 and name  HB3)
    or (segid "   A" and resid   31 and name   HN) (segid "   A" and resid   32 and name  HB1)
    or (segid "   A" and resid   31 and name   HN) (segid "   A" and resid   32 and name  HB2)
assign (segid "   A" and resid   17 and name   HN) (segid "   A" and resid   12 and name  HB1) 3.338 1.392 1.392 weight 1.000 ! spec=Expt_41, no=316, id=787, vol=1.217959e+07
    or (segid "   A" and resid   17 and name   HN) (segid "   A" and resid   12 and name  HB2)
    or (segid "   A" and resid   17 and name   HN) (segid "   A" and resid   12 and name  HB3)
    or (segid "   A" and resid   28 and name   HN) (segid "   A" and resid   31 and name  HB1)
assign (segid "   A" and resid   29 and name   HN) (segid "   A" and resid   24 and name HD21) 3.390 1.436 1.436 weight 1.000 ! spec=Expt_41, no=332, id=803, vol=1.321325e+07
    or (segid "   A" and resid   29 and name   HN) (segid "   A" and resid   24 and name HD22)
    or (segid "   A" and resid   29 and name   HN) (segid "   A" and resid   24 and name HD23)
    or (segid "   A" and resid   32 and name   HN) (segid "   A" and resid   31 and name HD21)
    or (segid "   A" and resid   32 and name   HN) (segid "   A" and resid   31 and name HD22)
    or (segid "   A" and resid   32 and name   HN) (segid "   A" and resid   31 and name HD23)
assign (segid "   A" and resid   17 and name   HN) (segid "   A" and resid   17 and name HD13) 3.225 1.300 1.300 weight 1.000 ! spec=Expt_41, no=354, id=825, vol=1.773763e+07
    or (segid "   A" and resid   17 and name   HN) (segid "   A" and resid   17 and name HD11)
    or (segid "   A" and resid   17 and name   HN) (segid "   A" and resid   17 and name HD12)
    or (segid "   A" and resid   18 and name   HN) (segid "   A" and resid   17 and name HD13)
    or (segid "   A" and resid   18 and name   HN) (segid "   A" and resid   17 and name HD11)
    or (segid "   A" and resid   18 and name   HN) (segid "   A" and resid   17 and name HD12)
assign (segid "   A" and resid   21 and name HE22) (segid "   A" and resid   21 and name  HG2) 2.564 0.822 0.822 weight 1.000 ! spec=Expt_41, no=370, id=839, vol=2.943145e+07
    or (segid "   A" and resid   21 and name HE22) (segid "   A" and resid   21 and name  HG1)
assign (segid "   A" and resid   21 and name  HG1) (segid "   A" and resid   21 and name   HA) 2.649 0.877 0.877 weight 1.000 ! spec=Expt_41, no=453, id=918, vol=3.374142e+07
    or (segid "   A" and resid   21 and name  HG2) (segid "   A" and resid   21 and name   HA)
assign (segid "   A" and resid   11 and name  HB1) (segid "   A" and resid   11 and name   HA) 2.309 0.667 0.667 weight 1.000 ! spec=Expt_41, no=465, id=930, vol=8.159458e+07
    or (segid "   A" and resid   11 and name  HB2) (segid "   A" and resid   11 and name   HA)
assign (segid "   A" and resid   33 and name  HB1) (segid "   A" and resid   33 and name   HA) 2.528 0.799 0.799 weight 1.000 ! spec=Expt_41, no=470, id=935, vol=5.051369e+07
    or (segid "   A" and resid   33 and name  HB2) (segid "   A" and resid   33 and name   HA)
assign (segid "   A" and resid   30 and name   HA) (segid "   A" and resid   33 and name  HB1) 2.747 0.943 0.943 weight 1.000 ! spec=Expt_41, no=473, id=936, vol=2.894640e+07
    or (segid "   A" and resid   30 and name   HA) (segid "   A" and resid   33 and name  HB2)
assign (segid "   A" and resid   21 and name  HB1) (segid "   A" and resid   18 and name   HA) 3.746 1.755 1.755 weight 1.000 ! spec=Expt_41, no=480, id=943, vol=1.367810e+07
    or (segid "   A" and resid   21 and name  HB1) (segid "   A" and resid   22 and name   HA)
assign (segid "   A" and resid   19 and name  HG2) (segid "   A" and resid   19 and name   HA) 2.033 0.516 0.516 weight 1.000 ! spec=Expt_41, no=497, id=960, vol=1.155587e+08
    or (segid "   A" and resid   25 and name  HB1) (segid "   A" and resid   25 and name   HA)
    or (segid "   A" and resid   25 and name  HB2) (segid "   A" and resid   25 and name   HA)
    or (segid "   A" and resid   25 and name  HB3) (segid "   A" and resid   25 and name   HA)
assign (segid "   A" and resid   18 and name  HB3) (segid "   A" and resid   15 and name   HA) 3.013 1.089 1.089 weight 1.000 ! spec=Expt_41, no=498, id=961, vol=5.581042e+07
    or (segid "   A" and resid   18 and name  HB1) (segid "   A" and resid   15 and name   HA)
    or (segid "   A" and resid   18 and name  HB2) (segid "   A" and resid   15 and name   HA)
    or (segid "   A" and resid   18 and name  HB3) (segid "   A" and resid   16 and name   HA)
    or (segid "   A" and resid   18 and name  HB1) (segid "   A" and resid   16 and name   HA)
    or (segid "   A" and resid   18 and name  HB2) (segid "   A" and resid   16 and name   HA)
    or (segid "   A" and resid   19 and name  HG1) (segid "   A" and resid   16 and name   HA)
    or (segid "   A" and resid   19 and name  HG2) (segid "   A" and resid   16 and name   HA)
assign (segid "   A" and resid   28 and name   HA) (segid "   A" and resid   24 and name HD13) 3.877 1.879 1.879 weight 1.000 ! spec=Expt_41, no=530, id=991, vol=7.858335e+06
    or (segid "   A" and resid   28 and name   HA) (segid "   A" and resid   24 and name HD12)
    or (segid "   A" and resid   28 and name   HA) (segid "   A" and resid   24 and name HD11)
    or (segid "   A" and resid   28 and name   HA) (segid "   A" and resid   31 and name HD11)
    or (segid "   A" and resid   28 and name   HA) (segid "   A" and resid   31 and name HD13)
    or (segid "   A" and resid   28 and name   HA) (segid "   A" and resid   31 and name HD12)
assign (segid "   A" and resid   23 and name   HA) (segid "   A" and resid   25 and name  HB1) 3.083 1.188 1.188 weight 1.000 ! spec=Expt_41, no=546, id=1005, vol=1.569774e+07
    or (segid "   A" and resid   23 and name   HA) (segid "   A" and resid   25 and name  HB2)
    or (segid "   A" and resid   23 and name   HA) (segid "   A" and resid   25 and name  HB3)
    or (segid "   A" and resid   23 and name   HA) (segid "   A" and resid   26 and name  HG1)
    or (segid "   A" and resid   27 and name   HA) (segid "   A" and resid   26 and name  HG1)
    or (segid "   A" and resid   33 and name   HA) (segid "   A" and resid   32 and name  HB3)
    or (segid "   A" and resid   33 and name   HA) (segid "   A" and resid   32 and name  HB1)
    or (segid "   A" and resid   33 and name   HA) (segid "   A" and resid   32 and name  HB2)
assign (segid "   A" and resid   14 and name  HG1) (segid "   A" and resid   13 and name   HA) 4.246 2.253 2.253 weight 1.000 ! spec=Expt_41, no=551, id=1010, vol=1.124181e+07
    or (segid "   A" and resid   16 and name  HB2) (segid "   A" and resid   13 and name   HA)
assign (segid "   A" and resid   14 and name  HB1) (segid "   A" and resid   13 and name   HA) 4.120 2.121 2.121 weight 1.000 ! spec=Expt_41, no=552, id=1011, vol=6.785771e+06
    or (segid "   A" and resid   15 and name  HB1) (segid "   A" and resid   13 and name   HA)
    or (segid "   A" and resid   19 and name  HB1) (segid "   A" and resid   20 and name   HA)
assign (segid "   A" and resid   26 and name  HB1) (segid "   A" and resid   23 and name   HA) 3.363 1.414 1.414 weight 1.000 ! spec=Expt_41, no=554, id=1013, vol=1.219269e+07
    or (segid "   A" and resid   26 and name  HB1) (segid "   A" and resid   27 and name   HA)
assign (segid "   A" and resid   27 and name  HB2) (segid "   A" and resid   24 and name HD21) 2.843 1.010 1.010 weight 1.000 ! spec=Expt_41, no=582, id=1038, vol=2.607501e+07
    or (segid "   A" and resid   27 and name  HB2) (segid "   A" and resid   24 and name HD22)
    or (segid "   A" and resid   27 and name  HB2) (segid "   A" and resid   24 and name HD23)
    or (segid "   A" and resid   34 and name  HB2) (segid "   A" and resid   31 and name HD21)
    or (segid "   A" and resid   34 and name  HB2) (segid "   A" and resid   31 and name HD22)
    or (segid "   A" and resid   34 and name  HB2) (segid "   A" and resid   31 and name HD23)
assign (segid "   A" and resid   20 and name   HN) (segid "   A" and resid   21 and name  HG2) 3.910 1.911 1.911 weight 1.000 ! spec=Expt_41, no=600, id=1054, vol=9.859130e+06
    or (segid "   A" and resid   22 and name   HN) (segid "   A" and resid   21 and name  HG2)
    or (segid "   A" and resid   22 and name   HN) (segid "   A" and resid   21 and name  HG1)
assign (segid "   A" and resid   21 and name  HG1) (segid "   A" and resid   21 and name  HB2) 2.454 0.753 0.753 weight 1.000 ! spec=Expt_41, no=643, id=1093, vol=4.120051e+07
    or (segid "   A" and resid   21 and name  HG2) (segid "   A" and resid   21 and name  HB2)
assign (segid "   A" and resid   21 and name  HG2) (segid "   A" and resid   21 and name  HB1) 2.529 0.799 0.799 weight 1.000 ! spec=Expt_41, no=645, id=1095, vol=4.340129e+07
    or (segid "   A" and resid   21 and name  HG1) (segid "   A" and resid   21 and name  HB1)
assign (segid "   A" and resid   21 and name  HG2) (segid "   A" and resid   18 and name   HA) 3.133 1.227 1.227 weight 1.000 ! spec=Expt_41, no=648, id=1098, vol=1.527673e+07
    or (segid "   A" and resid   21 and name  HG1) (segid "   A" and resid   18 and name   HA)
!assign (segid "   A" and resid    8 and name  HB2) (segid "   A" and resid   12 and name  HB1) 2.993 1.120 1.120 weight 1.000 ! spec=Expt_41, no=651, id=1100, vol=2.911045e+07
!    or (segid "   A" and resid    8 and name  HB2) (segid "   A" and resid   12 and name  HB2)
!    or (segid "   A" and resid    8 and name  HB2) (segid "   A" and resid   12 and name  HB3)
!    or (segid "   A" and resid    8 and name  HG1) (segid "   A" and resid   12 and name  HB1)
!    or (segid "   A" and resid    8 and name  HG1) (segid "   A" and resid   12 and name  HB2)
!    or (segid "   A" and resid    8 and name  HG1) (segid "   A" and resid   12 and name  HB3)
assign (segid "   A" and resid    7 and name   HA) (segid "   A" and resid    7 and name  HD2) 2.849 1.015 1.015 weight 1.000 ! spec=Expt_41, no=680, id=1124, vol=2.105734e+07
    or (segid "   A" and resid    7 and name   HA) (segid "   A" and resid    7 and name  HB1)
assign (segid "   A" and resid   28 and name  HG1) (segid "   A" and resid   25 and name  HB1) 3.444 1.482 1.482 weight 1.000 ! spec=Expt_41, no=702, id=1142, vol=9.471033e+06
    or (segid "   A" and resid   28 and name  HG1) (segid "   A" and resid   25 and name  HB2)
    or (segid "   A" and resid   28 and name  HG1) (segid "   A" and resid   25 and name  HB3)
    or (segid "   A" and resid   33 and name  HB1) (segid "   A" and resid   32 and name  HB3)
    or (segid "   A" and resid   33 and name  HB1) (segid "   A" and resid   32 and name  HB1)
    or (segid "   A" and resid   33 and name  HB1) (segid "   A" and resid   32 and name  HB2)
    or (segid "   A" and resid   33 and name  HB2) (segid "   A" and resid   32 and name  HB3)
    or (segid "   A" and resid   33 and name  HB2) (segid "   A" and resid   32 and name  HB1)
    or (segid "   A" and resid   33 and name  HB2) (segid "   A" and resid   32 and name  HB2)
assign (segid "   A" and resid    7 and name  HE2) (segid "   A" and resid    7 and name  HD2) 2.511 0.788 0.788 weight 1.000 ! spec=Expt_41, no=718, id=1156, vol=3.424788e+07
    or (segid "   A" and resid    7 and name  HE2) (segid "   A" and resid    7 and name  HD1)
assign (segid "   A" and resid   34 and name  HE1) (segid "   A" and resid    2 and name  HD1) 3.275 1.340 1.340 weight 1.000 ! spec=Expt_41, no=734, id=1171, vol=9.716512e+06
    or (segid "   A" and resid   34 and name  HE2) (segid "   A" and resid    2 and name  HD1)
    or (segid "   A" and resid   34 and name  HE1) (segid "   A" and resid   34 and name  HB2)
    or (segid "   A" and resid   34 and name  HE2) (segid "   A" and resid   34 and name  HB2)
assign (segid "   A" and resid   34 and name  HE1) (segid "   A" and resid    1 and name  HB1) 4.122 2.124 2.124 weight 1.000 ! spec=Expt_41, no=737, id=1174, vol=6.505652e+06
    or (segid "   A" and resid   34 and name  HE2) (segid "   A" and resid    1 and name  HB1)
    or (segid "   A" and resid   34 and name  HE1) (segid "   A" and resid    2 and name  HG2)
    or (segid "   A" and resid   34 and name  HE2) (segid "   A" and resid    2 and name  HG2)
assign (segid "   A" and resid   27 and name  HE1) (segid "   A" and resid    2 and name  HD1) 3.521 1.549 1.549 weight 1.000 ! spec=Expt_41, no=742, id=1179, vol=8.479592e+06
    or (segid "   A" and resid   27 and name  HE2) (segid "   A" and resid    2 and name  HD1)
    or (segid "   A" and resid   27 and name  HE1) (segid "   A" and resid   27 and name  HB2)
    or (segid "   A" and resid   27 and name  HE2) (segid "   A" and resid   27 and name  HB2)
assign (segid "   A" and resid   34 and name  HD1) (segid "   A" and resid    1 and name  HB2) 3.438 1.477 1.477 weight 1.000 ! spec=Expt_41, no=817, id=1243, vol=8.445785e+06
    or (segid "   A" and resid   34 and name  HD2) (segid "   A" and resid    1 and name  HB2)
    or (segid "   A" and resid   34 and name  HD1) (segid "   A" and resid    1 and name  HG1)
    or (segid "   A" and resid   34 and name  HD2) (segid "   A" and resid    1 and name  HG1)
assign (segid "   A" and resid   29 and name  HG1) (segid "   A" and resid   30 and name   HN) 3.076 1.183 1.183 weight 1.000 ! spec=Expt_41, no=819, id=1245, vol=2.974954e+07
    or (segid "   A" and resid   31 and name   HN) (segid "   A" and resid   31 and name  HB2)
    or (segid "   A" and resid   31 and name   HN) (segid "   A" and resid   32 and name  HB3)
    or (segid "   A" and resid   31 and name   HN) (segid "   A" and resid   32 and name  HB1)
    or (segid "   A" and resid   31 and name   HN) (segid "   A" and resid   32 and name  HB2)
assign (segid "   A" and resid   19 and name  HB2) (segid "   A" and resid   19 and name  HG1) 2.563 0.821 0.821 weight 1.000 ! spec=Expt_41, no=835, id=1258, vol=3.025719e+07
    or (segid "   A" and resid   19 and name  HB2) (segid "   A" and resid   19 and name  HG2)
    or (segid "   A" and resid   26 and name  HB2) (segid "   A" and resid   26 and name  HG1)
    or (segid "   A" and resid   26 and name  HB2) (segid "   A" and resid   26 and name  HG2)
assign (segid "   A" and resid   29 and name  HB1) (segid "   A" and resid   29 and name  HG2) 2.637 0.869 0.869 weight 1.000 ! spec=Expt_41, no=836, id=1259, vol=3.060827e+07
    or (segid "   A" and resid   29 and name  HB1) (segid "   A" and resid   29 and name  HG1)
    or (segid "   A" and resid   26 and name  HB1) (segid "   A" and resid   26 and name  HG2)
assign (segid "   A" and resid   26 and name   HA) (segid "   A" and resid   29 and name  HB2) 2.576 0.830 0.830 weight 1.000 ! spec=Expt_41, no=838, id=1260, vol=3.735745e+07
    or (segid "   A" and resid   29 and name   HA) (segid "   A" and resid   29 and name  HB2)
assign (segid "   A" and resid   19 and name  HB2) (segid "   A" and resid   19 and name   HA) 2.706 0.916 0.916 weight 1.000 ! spec=Expt_41, no=846, id=1266, vol=3.220671e+07
    or (segid "   A" and resid   25 and name   HA) (segid "   A" and resid   28 and name  HB2)
assign (segid "   A" and resid   26 and name  HG2) (segid "   A" and resid   26 and name   HA) 1.947 0.474 0.474 weight 1.000 ! spec=Expt_41, no=848, id=1268, vol=1.773333e+08
    or (segid "   A" and resid   29 and name  HG2) (segid "   A" and resid   29 and name   HA)
    or (segid "   A" and resid   32 and name  HB3) (segid "   A" and resid   32 and name   HA)
    or (segid "   A" and resid   32 and name  HB1) (segid "   A" and resid   32 and name   HA)
    or (segid "   A" and resid   32 and name  HB2) (segid "   A" and resid   32 and name   HA)
assign (segid "   A" and resid   30 and name  HB2) (segid "   A" and resid   30 and name   HA) 2.932 1.074 1.074 weight 1.000 ! spec=Expt_41, no=852, id=1272, vol=2.883759e+07
    or (segid "   A" and resid   10 and name  HB1) (segid "   A" and resid   10 and name   HA)
# Restraints file 2: unambig.tbl




assign (segid "   A" and resid   23 and name   HN) (segid "   A" and resid   22 and name   HN) 2.482 0.770 0.770 weight 1.000 ! spec=Expt_40, no=2, id=1, vol=2.715402e+07
assign (segid "   A" and resid   15 and name   HN) (segid "   A" and resid   16 and name   HN) 2.624 0.860 0.860 weight 1.000 ! spec=Expt_40, no=3, id=2, vol=1.830369e+07
assign (segid "   A" and resid   24 and name   HN) (segid "   A" and resid   25 and name   HN) 2.604 0.848 0.848 weight 1.000 ! spec=Expt_40, no=5, id=4, vol=2.025370e+07
assign (segid "   A" and resid   30 and name   HN) (segid "   A" and resid   29 and name   HN) 2.465 0.760 0.760 weight 1.000 ! spec=Expt_40, no=6, id=5, vol=2.746728e+07
assign (segid "   A" and resid   11 and name   HN) (segid "   A" and resid   12 and name   HN) 2.817 0.992 0.992 weight 1.000 ! spec=Expt_40, no=9, id=7, vol=1.314365e+07
assign (segid "   A" and resid   27 and name   HN) (segid "   A" and resid   26 and name   HN) 2.600 0.845 0.845 weight 1.000 ! spec=Expt_40, no=12, id=10, vol=1.991331e+07
assign (segid "   A" and resid   33 and name   HN) (segid "   A" and resid   32 and name   HN) 2.496 0.779 0.779 weight 1.000 ! spec=Expt_40, no=13, id=11, vol=2.641890e+07
assign (segid "   A" and resid   18 and name   HN) (segid "   A" and resid   19 and name   HN) 2.465 0.759 0.759 weight 1.000 ! spec=Expt_40, no=14, id=12, vol=2.819410e+07
assign (segid "   A" and resid   17 and name   HN) (segid "   A" and resid   16 and name   HN) 2.442 0.745 0.745 weight 1.000 ! spec=Expt_40, no=15, id=13, vol=2.732358e+07
assign (segid "   A" and resid   28 and name   HN) (segid "   A" and resid   29 and name   HN) 2.622 0.860 0.860 weight 1.000 ! spec=Expt_40, no=17, id=15, vol=1.853224e+07
assign (segid "   A" and resid   32 and name   HN) (segid "   A" and resid   31 and name   HN) 2.413 0.728 0.728 weight 1.000 ! spec=Expt_40, no=21, id=19, vol=3.214108e+07
assign (segid "   A" and resid   27 and name  HD1) (segid "   A" and resid   28 and name   HN) 3.503 1.533 1.533 weight 1.000 ! spec=Expt_40, no=29, id=26, vol=8.591011e+06
    or (segid "   A" and resid   27 and name  HD2) (segid "   A" and resid   28 and name   HN)
assign (segid "   A" and resid   20 and name  HD1) (segid "   A" and resid   24 and name HD21) 4.020 1.065 1.065 weight 1.000 ! spec=Expt_40, no=49, id=42, vol=1.538291e+07
    or (segid "   A" and resid   20 and name  HD1) (segid "   A" and resid   24 and name HD22)
    or (segid "   A" and resid   20 and name  HD1) (segid "   A" and resid   24 and name HD23)
    or (segid "   A" and resid   20 and name  HD2) (segid "   A" and resid   24 and name HD21)
    or (segid "   A" and resid   20 and name  HD2) (segid "   A" and resid   24 and name HD22)
    or (segid "   A" and resid   20 and name  HD2) (segid "   A" and resid   24 and name HD23)
assign (segid "   A" and resid   29 and name   HN) (segid "   A" and resid   28 and name  HB1) 3.268 1.335 1.335 weight 1.000 ! spec=Expt_40, no=53, id=45, vol=8.851293e+06
assign (segid "   A" and resid   29 and name   HN) (segid "   A" and resid   29 and name  HB1) 2.625 0.861 0.861 weight 1.000 ! spec=Expt_40, no=55, id=47, vol=1.954785e+07
assign (segid "   A" and resid   32 and name   HN) (segid "   A" and resid   32 and name   HA) 2.336 0.682 0.682 weight 1.000 ! spec=Expt_40, no=60, id=50, vol=4.153811e+07
assign (segid "   A" and resid   34 and name  HD1) (segid "   A" and resid   34 and name  HB2) 2.436 0.742 0.742 weight 1.000 ! spec=Expt_40, no=67, id=57, vol=4.518430e+07
    or (segid "   A" and resid   34 and name  HD2) (segid "   A" and resid   34 and name  HB2)
assign (segid "   A" and resid   20 and name   HN) (segid "   A" and resid   20 and name  HB1) 2.389 0.714 0.714 weight 1.000 ! spec=Expt_40, no=76, id=61, vol=3.703565e+07
assign (segid "   A" and resid   21 and name   HN) (segid "   A" and resid   20 and name  HB2) 2.851 1.016 1.016 weight 1.000 ! spec=Expt_40, no=78, id=62, vol=1.036060e+07
assign (segid "   A" and resid   20 and name   HN) (segid "   A" and resid   20 and name  HB2) 2.545 0.810 0.810 weight 1.000 ! spec=Expt_40, no=79, id=63, vol=2.214700e+07
assign (segid "   A" and resid   34 and name   HN) (segid "   A" and resid   34 and name  HB1) 2.604 0.847 0.847 weight 1.000 ! spec=Expt_40, no=81, id=64, vol=2.146973e+07
assign (segid "   A" and resid   13 and name   HN) (segid "   A" and resid   13 and name   HA) 2.638 0.870 0.870 weight 1.000 ! spec=Expt_40, no=90, id=71, vol=1.828412e+07
assign (segid "   A" and resid   13 and name   HN) (segid "   A" and resid   12 and name   HA) 2.141 0.573 0.573 weight 1.000 ! spec=Expt_40, no=91, id=72, vol=6.536268e+07
assign (segid "   A" and resid   19 and name   HN) (segid "   A" and resid   19 and name  HB2) 2.525 0.797 0.797 weight 1.000 ! spec=Expt_40, no=99, id=79, vol=2.266320e+07
assign (segid "   A" and resid   19 and name   HN) (segid "   A" and resid   19 and name  HB1) 2.525 0.797 0.797 weight 1.000 ! spec=Expt_40, no=100, id=80, vol=2.429498e+07
assign (segid "   A" and resid   26 and name   HN) (segid "   A" and resid   26 and name  HB2) 2.544 0.809 0.809 weight 1.000 ! spec=Expt_40, no=101, id=81, vol=2.102913e+07
assign (segid "   A" and resid   26 and name   HN) (segid "   A" and resid   26 and name  HB1) 2.631 0.865 0.865 weight 1.000 ! spec=Expt_40, no=102, id=82, vol=2.094033e+07
assign (segid "   A" and resid   13 and name   HN) (segid "   A" and resid   16 and name  HB2) 3.105 1.205 1.205 weight 1.000 ! spec=Expt_40, no=108, id=86, vol=8.781435e+06
assign (segid "   A" and resid   28 and name   HN) (segid "   A" and resid   28 and name  HB1) 3.106 1.206 1.206 weight 1.000 ! spec=Expt_40, no=111, id=89, vol=1.814188e+07
assign (segid "   A" and resid   17 and name   HN) (segid "   A" and resid   16 and name  HB1) 3.007 1.130 1.130 weight 1.000 ! spec=Expt_40, no=115, id=92, vol=7.569255e+06
assign (segid "   A" and resid   10 and name   HN) (segid "   A" and resid    9 and name  HA1) 2.742 0.940 0.940 weight 1.000 ! spec=Expt_40, no=122, id=99, vol=2.004914e+07
assign (segid "   A" and resid    9 and name   HN) (segid "   A" and resid    9 and name  HA2) 2.543 0.809 0.809 weight 1.000 ! spec=Expt_40, no=123, id=100, vol=2.192516e+07
assign (segid "   A" and resid   27 and name   HN) (segid "   A" and resid   27 and name  HB1) 2.624 0.861 0.861 weight 1.000 ! spec=Expt_40, no=129, id=106, vol=2.222901e+07
assign (segid "   A" and resid    9 and name   HN) (segid "   A" and resid    8 and name   HA) 2.171 0.589 0.589 weight 1.000 ! spec=Expt_40, no=132, id=109, vol=5.385299e+07
assign (segid "   A" and resid   18 and name   HN) (segid "   A" and resid   18 and name   HA) 2.411 0.727 0.727 weight 1.000 ! spec=Expt_40, no=133, id=110, vol=3.297630e+07
assign (segid "   A" and resid   27 and name   HN) (segid "   A" and resid   27 and name   HA) 2.720 0.925 0.925 weight 1.000 ! spec=Expt_40, no=134, id=111, vol=1.634167e+07
assign (segid "   A" and resid   33 and name   HN) (segid "   A" and resid   33 and name   HA) 2.605 0.848 0.848 weight 1.000 ! spec=Expt_40, no=135, id=112, vol=2.305369e+07
assign (segid "   A" and resid   26 and name   HN) (segid "   A" and resid   26 and name   HA) 2.619 0.858 0.858 weight 1.000 ! spec=Expt_40, no=137, id=114, vol=2.038770e+07
assign (segid "   A" and resid   22 and name   HN) (segid "   A" and resid   22 and name   HA) 2.524 0.796 0.796 weight 1.000 ! spec=Expt_40, no=139, id=116, vol=2.659497e+07
assign (segid "   A" and resid   34 and name   HN) (segid "   A" and resid   34 and name   HA) 2.752 0.947 0.947 weight 1.000 ! spec=Expt_40, no=140, id=117, vol=1.659067e+07
assign (segid "   A" and resid    3 and name   HN) (segid "   A" and resid    2 and name   HA) 2.181 0.595 0.595 weight 1.000 ! spec=Expt_40, no=143, id=119, vol=5.871160e+07
assign (segid "   A" and resid    6 and name   HN) (segid "   A" and resid    5 and name   HA) 2.120 0.562 0.562 weight 1.000 ! spec=Expt_40, no=144, id=120, vol=6.676087e+07
assign (segid "   A" and resid    4 and name   HN) (segid "   A" and resid    3 and name   HA) 2.103 0.553 0.553 weight 1.000 ! spec=Expt_40, no=148, id=124, vol=7.171202e+07
assign (segid "   A" and resid   15 and name   HN) (segid "   A" and resid   15 and name   HA) 2.564 0.822 0.822 weight 1.000 ! spec=Expt_40, no=149, id=125, vol=2.465387e+07
assign (segid "   A" and resid    7 and name   HN) (segid "   A" and resid    6 and name   HA) 2.802 0.652 0.652 weight 1.000 ! spec=Expt_40, no=151, id=127, vol=7.930968e+07
assign (segid "   A" and resid   15 and name   HN) (segid "   A" and resid   13 and name   HB) 2.695 0.908 0.908 weight 1.000 ! spec=Expt_40, no=153, id=129, vol=1.575591e+07
assign (segid "   A" and resid   11 and name   HN) (segid "   A" and resid   11 and name   HA) 2.744 0.941 0.941 weight 1.000 ! spec=Expt_40, no=154, id=130, vol=1.610263e+07
assign (segid "   A" and resid   23 and name   HN) (segid "   A" and resid   23 and name   HA) 2.741 0.939 0.939 weight 1.000 ! spec=Expt_40, no=156, id=131, vol=1.600980e+07
assign (segid "   A" and resid   11 and name   HN) (segid "   A" and resid   10 and name   HA) 2.909 1.058 1.058 weight 1.000 ! spec=Expt_40, no=157, id=132, vol=1.378566e+07
assign (segid "   A" and resid   10 and name   HN) (segid "   A" and resid   10 and name   HA) 2.872 1.031 1.031 weight 1.000 ! spec=Expt_40, no=158, id=133, vol=1.149717e+07
assign (segid "   A" and resid   23 and name   HN) (segid "   A" and resid   22 and name   HA) 3.215 1.292 1.292 weight 1.000 ! spec=Expt_40, no=159, id=134, vol=6.614177e+06
assign (segid "   A" and resid    6 and name   HN) (segid "   A" and resid    6 and name   HB) 2.435 0.741 0.741 weight 1.000 ! spec=Expt_40, no=161, id=136, vol=3.042778e+07
assign (segid "   A" and resid    3 and name   HN) (segid "   A" and resid    3 and name   HB) 2.571 0.826 0.826 weight 1.000 ! spec=Expt_40, no=162, id=137, vol=2.265416e+07
assign (segid "   A" and resid   15 and name   HN) (segid "   A" and resid   14 and name  HD2) 2.999 1.125 1.125 weight 1.000 ! spec=Expt_40, no=163, id=138, vol=7.882142e+06
assign (segid "   A" and resid    7 and name   HN) (segid "   A" and resid    7 and name   HA) 2.799 0.980 0.980 weight 1.000 ! spec=Expt_40, no=165, id=140, vol=1.267361e+07
assign (segid "   A" and resid   28 and name   HN) (segid "   A" and resid   27 and name  HB1) 2.818 0.993 0.993 weight 1.000 ! spec=Expt_40, no=166, id=141, vol=1.061677e+07
assign (segid "   A" and resid    4 and name   HN) (segid "   A" and resid    4 and name   HA) 2.914 1.061 1.061 weight 1.000 ! spec=Expt_40, no=169, id=144, vol=1.107578e+07
assign (segid "   A" and resid   23 and name   HN) (segid "   A" and resid   23 and name  HB2) 2.686 0.902 0.902 weight 1.000 ! spec=Expt_40, no=172, id=147, vol=1.540668e+07
assign (segid "   A" and resid   20 and name   HN) (segid "   A" and resid   20 and name   HA) 2.800 0.980 0.980 weight 1.000 ! spec=Expt_40, no=173, id=148, vol=1.419409e+07
assign (segid "   A" and resid   30 and name   HN) (segid "   A" and resid   30 and name  HB1) 2.646 0.875 0.875 weight 1.000 ! spec=Expt_40, no=178, id=152, vol=2.053075e+07
assign (segid "   A" and resid   15 and name   HN) (segid "   A" and resid   15 and name  HB2) 2.720 0.925 0.925 weight 1.000 ! spec=Expt_40, no=184, id=155, vol=1.718030e+07
assign (segid "   A" and resid   30 and name   HN) (segid "   A" and resid   29 and name  HB2) 2.731 0.932 0.932 weight 1.000 ! spec=Expt_40, no=185, id=156, vol=1.403921e+07
assign (segid "   A" and resid   15 and name   HN) (segid "   A" and resid   15 and name  HB1) 2.502 0.782 0.782 weight 1.000 ! spec=Expt_40, no=186, id=157, vol=2.429863e+07
assign (segid "   A" and resid   24 and name   HN) (segid "   A" and resid   24 and name  HB1) 2.572 0.827 0.827 weight 1.000 ! spec=Expt_40, no=188, id=159, vol=2.061721e+07
assign (segid "   A" and resid   31 and name   HN) (segid "   A" and resid   31 and name  HB2) 2.998 1.123 1.123 weight 1.000 ! spec=Expt_40, no=192, id=161, vol=1.815118e+07
assign (segid "   A" and resid    4 and name   HN) (segid "   A" and resid    4 and name  HB2) 2.726 0.929 0.929 weight 1.000 ! spec=Expt_40, no=194, id=163, vol=1.767782e+07
assign (segid "   A" and resid    4 and name   HN) (segid "   A" and resid    4 and name  HB1) 2.699 0.911 0.911 weight 1.000 ! spec=Expt_40, no=195, id=164, vol=1.554790e+07
assign (segid "   A" and resid   24 and name   HN) (segid "   A" and resid   24 and name HD13) 3.039 1.154 1.154 weight 1.000 ! spec=Expt_40, no=198, id=167, vol=1.902084e+07
    or (segid "   A" and resid   24 and name   HN) (segid "   A" and resid   24 and name HD12)
    or (segid "   A" and resid   24 and name   HN) (segid "   A" and resid   24 and name HD11)
assign (segid "   A" and resid   31 and name   HN) (segid "   A" and resid   31 and name HD11) 3.050 1.163 1.163 weight 1.000 ! spec=Expt_40, no=199, id=168, vol=1.896601e+07
    or (segid "   A" and resid   31 and name   HN) (segid "   A" and resid   31 and name HD13)
    or (segid "   A" and resid   31 and name   HN) (segid "   A" and resid   31 and name HD12)
assign (segid "   A" and resid    7 and name   HN) (segid "   A" and resid    7 and name  HB2) 3.083 1.188 1.188 weight 1.000 ! spec=Expt_40, no=205, id=174, vol=1.925727e+07
assign (segid "   A" and resid   10 and name   HN) (segid "   A" and resid   10 and name  HB1) 2.623 0.860 0.860 weight 1.000 ! spec=Expt_40, no=213, id=179, vol=1.709522e+07
assign (segid "   A" and resid   10 and name   HN) (segid "   A" and resid   10 and name  HB2) 2.873 1.032 1.032 weight 1.000 ! spec=Expt_40, no=217, id=181, vol=1.343684e+07
assign (segid "   A" and resid   28 and name   HN) (segid "   A" and resid   28 and name  HG2) 3.529 1.556 1.556 weight 1.000 ! spec=Expt_40, no=220, id=184, vol=9.458972e+06
assign (segid "   A" and resid   11 and name   HN) (segid "   A" and resid   11 and name  HB1) 2.911 1.059 1.059 weight 1.000 ! spec=Expt_40, no=230, id=193, vol=1.015324e+07
assign (segid "   A" and resid   20 and name  HB1) (segid "   A" and resid   21 and name   HN) 3.640 1.656 1.656 weight 1.000 ! spec=Expt_40, no=234, id=197, vol=6.947971e+06
assign (segid "   A" and resid   21 and name  HB1) (segid "   A" and resid   21 and name   HN) 3.268 1.335 1.335 weight 1.000 ! spec=Expt_40, no=242, id=205, vol=1.358580e+07
assign (segid "   A" and resid   28 and name   HN) (segid "   A" and resid   27 and name  HB2) 3.557 1.581 1.581 weight 1.000 ! spec=Expt_40, no=250, id=213, vol=6.923765e+06
assign (segid "   A" and resid   28 and name   HN) (segid "   A" and resid   28 and name   HA) 2.700 0.911 0.911 weight 1.000 ! spec=Expt_40, no=251, id=214, vol=1.602817e+07
assign (segid "   A" and resid   27 and name   HN) (segid "   A" and resid   27 and name  HB2) 2.572 0.827 0.827 weight 1.000 ! spec=Expt_40, no=254, id=217, vol=1.973232e+07
assign (segid "   A" and resid   21 and name   HN) (segid "   A" and resid   21 and name   HA) 2.705 0.915 0.915 weight 1.000 ! spec=Expt_40, no=255, id=218, vol=1.646582e+07
assign (segid "   A" and resid    3 and name   HN) (segid "   A" and resid    3 and name   HA) 2.969 1.102 1.102 weight 1.000 ! spec=Expt_40, no=261, id=224, vol=9.681728e+06
assign (segid "   A" and resid    6 and name   HN) (segid "   A" and resid    6 and name   HA) 2.676 0.895 0.895 weight 1.000 ! spec=Expt_40, no=265, id=228, vol=1.851845e+07
assign (segid "   A" and resid    6 and name   HB) (segid "   A" and resid    7 and name   HN) 3.049 1.162 1.162 weight 1.000 ! spec=Expt_40, no=269, id=232, vol=1.133526e+07
assign (segid "   A" and resid   10 and name   HN) (segid "   A" and resid    9 and name  HA2) 2.722 0.926 0.926 weight 1.000 ! spec=Expt_40, no=273, id=236, vol=1.570561e+07
assign (segid "   A" and resid    9 and name   HN) (segid "   A" and resid    9 and name  HA1) 2.734 0.934 0.934 weight 1.000 ! spec=Expt_40, no=277, id=240, vol=1.684509e+07
assign (segid "   A" and resid   19 and name   HN) (segid "   A" and resid   19 and name   HA) 2.582 0.833 0.833 weight 1.000 ! spec=Expt_40, no=283, id=246, vol=2.248748e+07
assign (segid "   A" and resid   25 and name   HN) (segid "   A" and resid   25 and name   HA) 2.602 0.846 0.846 weight 1.000 ! spec=Expt_40, no=289, id=252, vol=2.108208e+07
assign (segid "   A" and resid   29 and name   HA) (segid "   A" and resid   29 and name   HN) 2.466 0.760 0.760 weight 1.000 ! spec=Expt_40, no=291, id=254, vol=2.932947e+07
assign (segid "   A" and resid   28 and name   HA) (segid "   A" and resid   27 and name  HD1) 3.382 1.430 1.430 weight 1.000 ! spec=Expt_40, no=306, id=266, vol=6.180899e+06
    or (segid "   A" and resid   28 and name   HA) (segid "   A" and resid   27 and name  HD2)
assign (segid "   A" and resid    4 and name  HG1) (segid "   A" and resid    4 and name   HN) 3.172 1.257 1.257 weight 1.000 ! spec=Expt_40, no=318, id=271, vol=6.764714e+06
assign (segid "   A" and resid   14 and name  HD2) (segid "   A" and resid   13 and name   HB) 2.467 0.761 0.761 weight 1.000 ! spec=Expt_40, no=359, id=298, vol=2.254562e+07
assign (segid "   A" and resid   14 and name  HD1) (segid "   A" and resid   13 and name   HB) 3.100 1.201 1.201 weight 1.000 ! spec=Expt_40, no=360, id=299, vol=1.581462e+07
assign (segid "   A" and resid   14 and name  HD1) (segid "   A" and resid   13 and name   HA) 2.116 0.560 0.560 weight 1.000 ! spec=Expt_40, no=365, id=302, vol=5.693288e+07
assign (segid "   A" and resid   14 and name  HD2) (segid "   A" and resid   13 and name   HA) 2.651 0.878 0.878 weight 1.000 ! spec=Expt_40, no=366, id=303, vol=3.009741e+07
assign (segid "   A" and resid   20 and name  HB1) (segid "   A" and resid   20 and name   HA) 2.576 0.829 0.829 weight 1.000 ! spec=Expt_40, no=370, id=305, vol=2.029541e+07
assign (segid "   A" and resid   20 and name  HB2) (segid "   A" and resid   20 and name   HA) 3.267 1.334 1.334 weight 1.000 ! spec=Expt_40, no=371, id=306, vol=7.808862e+06
assign (segid "   A" and resid   23 and name  HB2) (segid "   A" and resid   20 and name   HA) 3.064 1.174 1.174 weight 1.000 ! spec=Expt_40, no=372, id=307, vol=7.440532e+06
assign (segid "   A" and resid    6 and name   HA) (segid "   A" and resid    6 and name HG23) 2.447 0.748 0.748 weight 1.000 ! spec=Expt_40, no=378, id=311, vol=4.922907e+07
    or (segid "   A" and resid    6 and name   HA) (segid "   A" and resid    6 and name HG22)
    or (segid "   A" and resid    6 and name   HA) (segid "   A" and resid    6 and name HG21)
assign (segid "   A" and resid    8 and name  HD2) (segid "   A" and resid    8 and name  HD1) 2.071 0.536 0.536 weight 1.000 ! spec=Expt_40, no=392, id=324, vol=5.199521e+07
assign (segid "   A" and resid    5 and name  HD1) (segid "   A" and resid    5 and name  HD2) 1.932 0.467 0.467 weight 1.000 ! spec=Expt_40, no=393, id=325, vol=8.165619e+07
assign (segid "   A" and resid   34 and name  HB2) (segid "   A" and resid   34 and name   HA) 2.421 0.733 0.733 weight 1.000 ! spec=Expt_40, no=397, id=328, vol=3.217556e+07
assign (segid "   A" and resid   15 and name  HG1) (segid "   A" and resid   15 and name   HA) 2.899 1.051 1.051 weight 1.000 ! spec=Expt_40, no=398, id=329, vol=1.362205e+07
assign (segid "   A" and resid   20 and name  HB2) (segid "   A" and resid   17 and name   HA) 2.784 0.969 0.969 weight 1.000 ! spec=Expt_40, no=404, id=332, vol=1.240769e+07
assign (segid "   A" and resid   27 and name  HB1) (segid "   A" and resid   24 and name   HA) 2.828 1.000 1.000 weight 1.000 ! spec=Expt_40, no=405, id=333, vol=1.244086e+07
assign (segid "   A" and resid   27 and name  HB2) (segid "   A" and resid   24 and name   HA) 2.716 0.922 0.922 weight 1.000 ! spec=Expt_40, no=406, id=334, vol=1.516378e+07
assign (segid "   A" and resid   34 and name  HB2) (segid "   A" and resid   31 and name   HA) 3.343 1.157 1.157 weight 1.000 ! spec=Expt_40, no=407, id=335, vol=9.023076e+06
assign (segid "   A" and resid   34 and name  HB1) (segid "   A" and resid   31 and name   HA) 3.041 1.156 1.156 weight 1.000 ! spec=Expt_40, no=408, id=336, vol=7.652072e+06
assign (segid "   A" and resid   14 and name  HG2) (segid "   A" and resid   14 and name  HD2) 3.097 1.199 1.199 weight 1.000 ! spec=Expt_40, no=410, id=338, vol=1.361390e+07
assign (segid "   A" and resid   33 and name   HN) (segid "   A" and resid   34 and name   HN) 2.580 0.832 0.832 weight 1.000 ! spec=Expt_40, no=415, id=342, vol=2.196123e+07
assign (segid "   A" and resid   25 and name   HN) (segid "   A" and resid   26 and name   HN) 2.610 0.851 0.851 weight 1.000 ! spec=Expt_40, no=418, id=344, vol=1.989306e+07
assign (segid "   A" and resid   28 and name HE21) (segid "   A" and resid   28 and name  HG2) 3.351 1.403 1.403 weight 1.000 ! spec=Expt_40, no=432, id=352, vol=7.120530e+06
assign (segid "   A" and resid   28 and name  HG2) (segid "   A" and resid   28 and name HE22) 3.608 1.627 1.627 weight 1.000 ! spec=Expt_40, no=434, id=354, vol=6.123927e+06
assign (segid "   A" and resid    8 and name   HA) (segid "   A" and resid    8 and name  HB1) 2.741 0.939 0.939 weight 1.000 ! spec=Expt_40, no=445, id=364, vol=2.024288e+07
assign (segid "   A" and resid    8 and name  HG2) (segid "   A" and resid    8 and name  HD2) 2.992 1.119 1.119 weight 1.000 ! spec=Expt_40, no=448, id=366, vol=1.488981e+07
assign (segid "   A" and resid    8 and name  HD2) (segid "   A" and resid    7 and name   HA) 2.451 0.751 0.751 weight 1.000 ! spec=Expt_40, no=450, id=368, vol=3.028013e+07
assign (segid "   A" and resid    8 and name  HD2) (segid "   A" and resid    8 and name  HB1) 3.307 1.367 1.367 weight 1.000 ! spec=Expt_40, no=453, id=370, vol=6.008847e+06
assign (segid "   A" and resid    6 and name   HN) (segid "   A" and resid    5 and name  HB1) 3.826 1.830 1.830 weight 1.000 ! spec=Expt_40, no=460, id=376, vol=4.898451e+06
assign (segid "   A" and resid    6 and name   HN) (segid "   A" and resid    5 and name  HB2) 3.449 1.487 1.487 weight 1.000 ! spec=Expt_40, no=463, id=377, vol=5.538561e+06
assign (segid "   A" and resid    3 and name   HN) (segid "   A" and resid    2 and name  HB1) 3.351 1.404 1.404 weight 1.000 ! spec=Expt_40, no=464, id=378, vol=5.404479e+06
assign (segid "   A" and resid    7 and name   HA) (segid "   A" and resid    7 and name  HG1) 2.997 1.123 1.123 weight 1.000 ! spec=Expt_40, no=466, id=379, vol=8.264376e+06
assign (segid "   A" and resid    7 and name   HA) (segid "   A" and resid    7 and name  HB2) 2.737 0.936 0.936 weight 1.000 ! spec=Expt_40, no=468, id=381, vol=1.273098e+07
assign (segid "   A" and resid   14 and name  HG2) (segid "   A" and resid   14 and name  HG1) 2.196 0.603 0.603 weight 1.000 ! spec=Expt_40, no=486, id=397, vol=4.056856e+07
assign (segid "   A" and resid   28 and name  HB1) (segid "   A" and resid   28 and name  HB2) 2.130 0.567 0.567 weight 1.000 ! spec=Expt_40, no=488, id=399, vol=4.546262e+07
assign (segid "   A" and resid   27 and name   HA) (segid "   A" and resid   27 and name  HB1) 3.164 1.252 1.252 weight 1.000 ! spec=Expt_40, no=489, id=400, vol=7.954358e+06
!assign (segid "   A" and resid    1 and name  HD1) (segid "   A" and resid   34 and name  HB2) 4.007 1.367 1.367 weight 1.000 ! spec=Expt_40, no=494, id=405, vol=8.879884e+06 !Diagonal not real nOE
assign (segid "   A" and resid   28 and name   HA) (segid "   A" and resid   28 and name  HG1) 3.050 1.163 1.163 weight 1.000 ! spec=Expt_40, no=496, id=407, vol=7.683478e+06
assign (segid "   A" and resid   28 and name  HG2) (segid "   A" and resid   28 and name   HA) 2.972 1.104 1.104 weight 1.000 ! spec=Expt_40, no=500, id=411, vol=1.025673e+07
assign (segid "   A" and resid   14 and name  HB2) (segid "   A" and resid   14 and name   HA) 2.614 0.854 0.854 weight 1.000 ! spec=Expt_40, no=502, id=413, vol=3.173612e+07
assign (segid "   A" and resid   14 and name  HD1) (segid "   A" and resid   14 and name  HG1) 3.052 1.164 1.164 weight 1.000 ! spec=Expt_40, no=506, id=416, vol=1.063833e+07
assign (segid "   A" and resid   28 and name   HA) (segid "   A" and resid   28 and name  HB2) 2.817 0.992 0.992 weight 1.000 ! spec=Expt_40, no=507, id=417, vol=1.625468e+07
assign (segid "   A" and resid   21 and name   HA) (segid "   A" and resid   21 and name  HB1) 2.478 0.768 0.768 weight 1.000 ! spec=Expt_40, no=509, id=419, vol=2.481053e+07
assign (segid "   A" and resid   28 and name   HA) (segid "   A" and resid   28 and name  HB1) 2.712 0.919 0.919 weight 1.000 ! spec=Expt_40, no=511, id=420, vol=1.438895e+07
assign (segid "   A" and resid    4 and name  HD1) (segid "   A" and resid    4 and name   HA) 3.501 1.281 1.281 weight 1.000 ! spec=Expt_40, no=515, id=424, vol=1.217556e+07
assign (segid "   A" and resid   28 and name   HA) (segid "   A" and resid   31 and name  HB2) 3.428 1.469 1.469 weight 1.000 ! spec=Expt_40, no=516, id=425, vol=1.261407e+07
assign (segid "   A" and resid   24 and name   HN) (segid "   A" and resid   24 and name   HA) 2.790 0.973 0.973 weight 1.000 ! spec=Expt_40, no=520, id=429, vol=1.364277e+07
assign (segid "   A" and resid   21 and name   HA) (segid "   A" and resid   24 and name   HN) 3.181 1.265 1.265 weight 1.000 ! spec=Expt_40, no=521, id=430, vol=7.128978e+06
assign (segid "   A" and resid   28 and name   HA) (segid "   A" and resid   29 and name   HN) 3.450 1.488 1.488 weight 1.000 ! spec=Expt_40, no=525, id=433, vol=4.624925e+06
!assign (segid "   A" and resid    1 and name  HD1) (segid "   A" and resid    2 and name  HD1) 3.505 1.536 1.536 weight 1.000 ! spec=Expt_40, no=531, id=439, vol=7.350436e+06 !Diagonal not real nOE
assign (segid "   A" and resid   19 and name  HB1) (segid "   A" and resid   19 and name   HA) 2.383 0.710 0.710 weight 1.000 ! spec=Expt_40, no=537, id=445, vol=3.031344e+07
assign (segid "   A" and resid   22 and name  HB2) (segid "   A" and resid   19 and name   HA) 2.462 0.758 0.758 weight 1.000 ! spec=Expt_40, no=542, id=450, vol=3.046837e+07
    or (segid "   A" and resid   22 and name  HB1) (segid "   A" and resid   19 and name   HA)
    or (segid "   A" and resid   22 and name  HB3) (segid "   A" and resid   19 and name   HA)
assign (segid "   A" and resid    5 and name  HB2) (segid "   A" and resid    5 and name   HA) 2.700 0.911 0.911 weight 1.000 ! spec=Expt_40, no=545, id=453, vol=2.150534e+07
assign (segid "   A" and resid   12 and name  HB1) (segid "   A" and resid   16 and name  HB2) 3.427 1.468 1.468 weight 1.000 ! spec=Expt_40, no=548, id=456, vol=1.182573e+07
    or (segid "   A" and resid   12 and name  HB2) (segid "   A" and resid   16 and name  HB2)
    or (segid "   A" and resid   12 and name  HB3) (segid "   A" and resid   16 and name  HB2)
assign (segid "   A" and resid   31 and name   HA) (segid "   A" and resid   31 and name  HB2) 2.909 1.058 1.058 weight 1.000 ! spec=Expt_40, no=549, id=457, vol=1.148215e+07
assign (segid "   A" and resid   18 and name   HA) (segid "   A" and resid   21 and name  HB2) 2.758 0.951 0.951 weight 1.000 ! spec=Expt_40, no=554, id=462, vol=1.271626e+07
assign (segid "   A" and resid   15 and name  HG2) (segid "   A" and resid   15 and name   HA) 2.673 0.893 0.893 weight 1.000 ! spec=Expt_40, no=556, id=464, vol=1.790199e+07
assign (segid "   A" and resid   14 and name   HA) (segid "   A" and resid   17 and name  HB1) 2.730 0.932 0.932 weight 1.000 ! spec=Expt_40, no=557, id=465, vol=1.552125e+07
assign (segid "   A" and resid   14 and name   HA) (segid "   A" and resid   14 and name  HG1) 3.468 1.503 1.503 weight 1.000 ! spec=Expt_40, no=559, id=467, vol=8.339517e+06
assign (segid "   A" and resid   28 and name   HA) (segid "   A" and resid   31 and name   HN) 3.419 1.461 1.461 weight 1.000 ! spec=Expt_40, no=562, id=469, vol=6.181005e+06
assign (segid "   A" and resid   31 and name   HA) (segid "   A" and resid   34 and name   HN) 3.190 1.272 1.272 weight 1.000 ! spec=Expt_40, no=565, id=471, vol=6.616686e+06
assign (segid "   A" and resid   24 and name   HA) (segid "   A" and resid   24 and name  HB1) 3.056 1.168 1.168 weight 1.000 ! spec=Expt_40, no=566, id=472, vol=1.089531e+07
assign (segid "   A" and resid   15 and name  HG2) (segid "   A" and resid   15 and name  HB1) 2.940 1.080 1.080 weight 1.000 ! spec=Expt_40, no=571, id=475, vol=1.458372e+07
assign (segid "   A" and resid   16 and name  HB2) (segid "   A" and resid   16 and name  HB1) 2.127 0.566 0.566 weight 1.000 ! spec=Expt_40, no=573, id=477, vol=4.167389e+07
assign (segid "   A" and resid   20 and name  HB1) (segid "   A" and resid   20 and name  HB2) 2.048 0.524 0.524 weight 1.000 ! spec=Expt_40, no=576, id=479, vol=6.176707e+07
assign (segid "   A" and resid    4 and name  HD2) (segid "   A" and resid    4 and name  HD1) 2.398 0.719 0.719 weight 1.000 ! spec=Expt_40, no=603, id=500, vol=2.330342e+07
assign (segid "   A" and resid    4 and name  HG1) (segid "   A" and resid    4 and name  HD1) 2.540 0.806 0.806 weight 1.000 ! spec=Expt_40, no=604, id=501, vol=2.728224e+07
assign (segid "   A" and resid    4 and name  HB1) (segid "   A" and resid    4 and name  HB2) 2.218 0.615 0.615 weight 1.000 ! spec=Expt_40, no=607, id=504, vol=3.733259e+07
assign (segid "   A" and resid    4 and name  HG1) (segid "   A" and resid    4 and name  HB2) 2.809 0.986 0.986 weight 1.000 ! spec=Expt_40, no=608, id=505, vol=2.101401e+07
assign (segid "   A" and resid   16 and name   HA) (segid "   A" and resid   16 and name  HB1) 2.702 0.913 0.913 weight 1.000 ! spec=Expt_40, no=617, id=514, vol=2.016322e+07
assign (segid "   A" and resid    6 and name   HA) (segid "   A" and resid    6 and name   HB) 2.284 0.652 0.652 weight 1.000 ! spec=Expt_40, no=621, id=518, vol=4.687464e+07
assign (segid "   A" and resid    3 and name   HA) (segid "   A" and resid    3 and name   HB) 2.749 0.944 0.944 weight 1.000 ! spec=Expt_40, no=622, id=519, vol=1.630290e+07
assign (segid "   A" and resid   27 and name   HN) (segid "   A" and resid   28 and name   HN) 2.835 1.004 1.004 weight 1.000 ! spec=Expt_41, no=22, id=538, vol=1.662830e+07
assign (segid "   A" and resid   27 and name  HE1) (segid "   A" and resid    4 and name   HN) 3.326 1.383 1.383 weight 1.000 ! spec=Expt_41, no=24, id=540, vol=1.100731e+07
    or (segid "   A" and resid   27 and name  HE2) (segid "   A" and resid    4 and name   HN)
assign (segid "   A" and resid   20 and name  HD1) (segid "   A" and resid   21 and name   HN) 3.438 1.477 1.477 weight 1.000 ! spec=Expt_41, no=27, id=543, vol=9.264230e+06
    or (segid "   A" and resid   20 and name  HD2) (segid "   A" and resid   21 and name   HN)
assign (segid "   A" and resid   19 and name   HN) (segid "   A" and resid   20 and name   HN) 3.087 1.191 1.191 weight 1.000 ! spec=Expt_41, no=44, id=558, vol=1.103114e+07
assign (segid "   A" and resid   27 and name   HN) (segid "   A" and resid   27 and name  HD1) 3.521 1.550 1.550 weight 1.000 ! spec=Expt_41, no=47, id=561, vol=1.569015e+07
    or (segid "   A" and resid   27 and name   HN) (segid "   A" and resid   27 and name  HD2)
assign (segid "   A" and resid   21 and name HE22) (segid "   A" and resid   21 and name HE21) 1.577 0.311 0.311 weight 1.000 ! spec=Expt_41, no=54, id=568, vol=2.791126e+08
assign (segid "   A" and resid   11 and name HD22) (segid "   A" and resid   11 and name HD21) 1.678 0.352 0.352 weight 1.000 ! spec=Expt_41, no=55, id=569, vol=2.352689e+08
assign (segid "   A" and resid   28 and name HE21) (segid "   A" and resid   28 and name HE22) 1.592 0.317 0.317 weight 1.000 ! spec=Expt_41, no=56, id=570, vol=2.798399e+08
assign (segid "   A" and resid   27 and name  HD1) (segid "   A" and resid   27 and name  HE1) 1.951 0.476 0.476 weight 1.000 ! spec=Expt_41, no=59, id=572, vol=1.180912e+08
    or (segid "   A" and resid   27 and name  HD1) (segid "   A" and resid   27 and name  HE2)
    or (segid "   A" and resid   27 and name  HD2) (segid "   A" and resid   27 and name  HE1)
    or (segid "   A" and resid   27 and name  HD2) (segid "   A" and resid   27 and name  HE2)
assign (segid "   A" and resid   34 and name  HD1) (segid "   A" and resid   34 and name  HE1) 1.849 0.427 0.427 weight 1.000 ! spec=Expt_41, no=62, id=574, vol=1.714970e+08
    or (segid "   A" and resid   34 and name  HD1) (segid "   A" and resid   34 and name  HE2)
    or (segid "   A" and resid   34 and name  HD2) (segid "   A" and resid   34 and name  HE1)
    or (segid "   A" and resid   34 and name  HD2) (segid "   A" and resid   34 and name  HE2)
assign (segid "   A" and resid   31 and name   HN) (segid "   A" and resid   31 and name   HA) 2.811 0.988 0.988 weight 1.000 ! spec=Expt_41, no=82, id=586, vol=1.965008e+07
assign (segid "   A" and resid    5 and name  HB1) (segid "   A" and resid    5 and name   HA) 2.562 0.820 0.820 weight 1.000 ! spec=Expt_41, no=93, id=596, vol=2.659734e+07
assign (segid "   A" and resid   13 and name HG23) (segid "   A" and resid   13 and name   HA) 1.994 0.497 0.497 weight 1.000 ! spec=Expt_41, no=95, id=598, vol=7.485365e+07
    or (segid "   A" and resid   13 and name HG21) (segid "   A" and resid   13 and name   HA)
    or (segid "   A" and resid   13 and name HG22) (segid "   A" and resid   13 and name   HA)
assign (segid "   A" and resid    1 and name   HA) (segid "   A" and resid    2 and name  HD1) 2.385 0.711 0.711 weight 1.000 ! spec=Expt_41, no=96, id=599, vol=3.911434e+07
assign (segid "   A" and resid   28 and name  HG1) (segid "   A" and resid   28 and name HE22) 3.898 1.900 1.900 weight 1.000 ! spec=Expt_41, no=102, id=604, vol=1.072337e+07
assign (segid "   A" and resid   28 and name  HG1) (segid "   A" and resid   28 and name HE21) 3.023 1.143 1.143 weight 1.000 ! spec=Expt_41, no=106, id=608, vol=6.851100e+06
assign (segid "   A" and resid    2 and name  HB1) (segid "   A" and resid    2 and name   HA) 3.145 1.236 1.236 weight 1.000 ! spec=Expt_41, no=126, id=627, vol=1.476567e+07
assign (segid "   A" and resid    1 and name  HD2) (segid "   A" and resid    0 and name  HA1) 2.414 0.507 0.507 weight 1.000 ! spec=Expt_41, no=127, id=628, vol=6.084082e+07
    or (segid "   A" and resid    1 and name  HD2) (segid "   A" and resid    0 and name  HA2)
    or (segid "   A" and resid    1 and name  HD2) (segid "   A" and resid    0 and name  HA3)
assign (segid "   A" and resid    1 and name  HD1) (segid "   A" and resid    0 and name  HA1) 2.202 0.552 0.552 weight 1.000 ! spec=Expt_41, no=128, id=629, vol=7.156329e+07
    or (segid "   A" and resid    1 and name  HD1) (segid "   A" and resid    0 and name  HA2)
    or (segid "   A" and resid    1 and name  HD1) (segid "   A" and resid    0 and name  HA3)
assign (segid "   A" and resid    1 and name  HD2) (segid "   A" and resid    1 and name  HG1) 3.404 1.448 1.448 weight 1.000 ! spec=Expt_41, no=131, id=631, vol=1.540119e+07
assign (segid "   A" and resid    1 and name  HD1) (segid "   A" and resid    1 and name  HG1) 2.718 0.924 0.924 weight 1.000 ! spec=Expt_41, no=133, id=633, vol=1.730931e+07
assign (segid "   A" and resid    1 and name   HA) (segid "   A" and resid    0 and name  HA1) 3.784 0.969 0.969 weight 1.000 ! spec=Expt_41, no=137, id=637, vol=6.970672e+06
    or (segid "   A" and resid    1 and name   HA) (segid "   A" and resid    0 and name  HA2)
assign (segid "   A" and resid    1 and name   HA) (segid "   A" and resid    1 and name  HB2) 2.485 0.772 0.772 weight 1.000 ! spec=Expt_41, no=138, id=638, vol=2.597987e+07
assign (segid "   A" and resid    1 and name  HG2) (segid "   A" and resid    1 and name  HD2) 2.842 1.009 1.009 weight 1.000 ! spec=Expt_41, no=140, id=640, vol=1.294116e+07
assign (segid "   A" and resid    1 and name  HG2) (segid "   A" and resid    1 and name  HD1) 3.149 1.240 1.240 weight 1.000 ! spec=Expt_41, no=141, id=641, vol=1.417565e+07
assign (segid "   A" and resid   17 and name   HN) (segid "   A" and resid   17 and name  HB2) 2.876 0.766 0.766 weight 1.000 ! spec=Expt_41, no=158, id=655, vol=4.350225e+07
assign (segid "   A" and resid   18 and name   HN) (segid "   A" and resid   18 and name  HB3) 2.045 0.523 0.523 weight 1.000 ! spec=Expt_41, no=160, id=657, vol=1.066620e+08
    or (segid "   A" and resid   18 and name   HN) (segid "   A" and resid   18 and name  HB1)
    or (segid "   A" and resid   18 and name   HN) (segid "   A" and resid   18 and name  HB2)
assign (segid "   A" and resid   17 and name   HN) (segid "   A" and resid   17 and name HD21) 3.156 1.245 1.245 weight 1.000 ! spec=Expt_41, no=161, id=658, vol=2.687456e+07
    or (segid "   A" and resid   17 and name   HN) (segid "   A" and resid   17 and name HD23)
    or (segid "   A" and resid   17 and name   HN) (segid "   A" and resid   17 and name HD22)
assign (segid "   A" and resid   17 and name   HN) (segid "   A" and resid   17 and name HD13) 3.050 1.162 1.162 weight 1.000 ! spec=Expt_41, no=162, id=659, vol=2.540146e+07
    or (segid "   A" and resid   17 and name   HN) (segid "   A" and resid   17 and name HD11)
    or (segid "   A" and resid   17 and name   HN) (segid "   A" and resid   17 and name HD12)
assign (segid "   A" and resid   26 and name   HN) (segid "   A" and resid   23 and name   HA) 3.196 1.276 1.276 weight 1.000 ! spec=Expt_41, no=164, id=661, vol=1.298331e+07
assign (segid "   A" and resid   27 and name  HD1) (segid "   A" and resid   27 and name   HA) 2.716 0.922 0.922 weight 1.000 ! spec=Expt_41, no=166, id=663, vol=2.861059e+07
    or (segid "   A" and resid   27 and name  HD2) (segid "   A" and resid   27 and name   HA)
assign (segid "   A" and resid   33 and name   HN) (segid "   A" and resid   30 and name   HA) 3.191 1.273 1.273 weight 1.000 ! spec=Expt_41, no=172, id=667, vol=1.176970e+07
assign (segid "   A" and resid   12 and name   HN) (segid "   A" and resid   12 and name   HA) 2.654 0.880 0.880 weight 1.000 ! spec=Expt_41, no=174, id=669, vol=3.063616e+07
assign (segid "   A" and resid   21 and name   HN) (segid "   A" and resid   18 and name   HA) 2.997 1.123 1.123 weight 1.000 ! spec=Expt_41, no=177, id=672, vol=1.747054e+07
assign (segid "   A" and resid   25 and name   HN) (segid "   A" and resid   22 and name   HA) 3.049 1.162 1.162 weight 1.000 ! spec=Expt_41, no=180, id=675, vol=1.378689e+07
assign (segid "   A" and resid   19 and name   HN) (segid "   A" and resid   16 and name   HA) 2.860 1.022 1.022 weight 1.000 ! spec=Expt_41, no=187, id=679, vol=2.015938e+07
assign (segid "   A" and resid   34 and name  HD1) (segid "   A" and resid   34 and name   HA) 2.594 0.841 0.841 weight 1.000 ! spec=Expt_41, no=190, id=682, vol=4.396208e+07
    or (segid "   A" and resid   34 and name  HD2) (segid "   A" and resid   34 and name   HA)
assign (segid "   A" and resid   33 and name   HN) (segid "   A" and resid   32 and name   HA) 3.009 1.132 1.132 weight 1.000 ! spec=Expt_41, no=194, id=686, vol=1.742865e+07
assign (segid "   A" and resid   27 and name   HN) (segid "   A" and resid   24 and name   HA) 3.034 1.150 1.150 weight 1.000 ! spec=Expt_41, no=201, id=693, vol=1.384766e+07
assign (segid "   A" and resid    1 and name   HA) (segid "   A" and resid   34 and name  HD1) 3.017 1.137 1.137 weight 1.000 ! spec=Expt_41, no=211, id=703, vol=1.316885e+07
    or (segid "   A" and resid    1 and name   HA) (segid "   A" and resid   34 and name  HD2)
assign (segid "   A" and resid   34 and name  HE1) (segid "   A" and resid    1 and name   HA) 2.929 1.073 1.073 weight 1.000 ! spec=Expt_41, no=212, id=704, vol=1.397521e+07
    or (segid "   A" and resid   34 and name  HE2) (segid "   A" and resid    1 and name   HA)
assign (segid "   A" and resid   27 and name  HD1) (segid "   A" and resid   27 and name  HB1) 2.592 0.840 0.840 weight 1.000 ! spec=Expt_41, no=213, id=705, vol=3.263103e+07
    or (segid "   A" and resid   27 and name  HD2) (segid "   A" and resid   27 and name  HB1)
assign (segid "   A" and resid   27 and name  HD1) (segid "   A" and resid   27 and name  HB2) 2.483 0.770 0.770 weight 1.000 ! spec=Expt_41, no=216, id=708, vol=4.020409e+07
    or (segid "   A" and resid   27 and name  HD2) (segid "   A" and resid   27 and name  HB2)
assign (segid "   A" and resid   20 and name  HD1) (segid "   A" and resid   20 and name  HB2) 2.638 0.870 0.870 weight 1.000 ! spec=Expt_41, no=220, id=711, vol=2.878929e+07
    or (segid "   A" and resid   20 and name  HD2) (segid "   A" and resid   20 and name  HB2)
assign (segid "   A" and resid   27 and name  HD1) (segid "   A" and resid    4 and name   HA) 2.644 0.874 0.874 weight 1.000 ! spec=Expt_41, no=225, id=715, vol=2.972839e+07
    or (segid "   A" and resid   27 and name  HD2) (segid "   A" and resid    4 and name   HA)
assign (segid "   A" and resid   27 and name  HE1) (segid "   A" and resid    4 and name   HA) 3.029 1.147 1.147 weight 1.000 ! spec=Expt_41, no=226, id=716, vol=1.681606e+07
    or (segid "   A" and resid   27 and name  HE2) (segid "   A" and resid    4 and name   HA)
assign (segid "   A" and resid   34 and name  HD1) (segid "   A" and resid   34 and name  HB1) 2.386 0.712 0.712 weight 1.000 ! spec=Expt_41, no=230, id=718, vol=5.255652e+07
    or (segid "   A" and resid   34 and name  HD2) (segid "   A" and resid   34 and name  HB1)
assign (segid "   A" and resid   28 and name   HN) (segid "   A" and resid   28 and name  HG1) 2.702 0.913 0.913 weight 1.000 ! spec=Expt_41, no=240, id=725, vol=1.689662e+07
assign (segid "   A" and resid   21 and name   HN) (segid "   A" and resid   21 and name  HG2) 2.486 0.772 0.772 weight 1.000 ! spec=Expt_41, no=246, id=730, vol=4.178533e+07
assign (segid "   A" and resid   21 and name  HG2) (segid "   A" and resid   20 and name  HD1) 3.273 1.339 1.339 weight 1.000 ! spec=Expt_41, no=249, id=733, vol=1.151229e+07
    or (segid "   A" and resid   21 and name  HG2) (segid "   A" and resid   20 and name  HD2)
assign (segid "   A" and resid   30 and name   HN) (segid "   A" and resid   30 and name  HB2) 2.772 0.960 0.960 weight 1.000 ! spec=Expt_41, no=254, id=737, vol=2.049390e+07
assign (segid "   A" and resid   15 and name   HN) (segid "   A" and resid   14 and name  HB2) 2.903 1.054 1.054 weight 1.000 ! spec=Expt_41, no=259, id=738, vol=1.298327e+07
assign (segid "   A" and resid   22 and name   HN) (segid "   A" and resid   21 and name  HB2) 2.977 1.108 1.108 weight 1.000 ! spec=Expt_41, no=260, id=739, vol=1.355760e+07
assign (segid "   A" and resid   21 and name   HN) (segid "   A" and resid   21 and name  HB2) 2.576 0.830 0.830 weight 1.000 ! spec=Expt_41, no=261, id=740, vol=2.250907e+07
assign (segid "   A" and resid   22 and name   HN) (segid "   A" and resid   21 and name  HB1) 3.559 1.583 1.583 weight 1.000 ! spec=Expt_41, no=266, id=744, vol=1.193604e+07
assign (segid "   A" and resid   16 and name   HN) (segid "   A" and resid   15 and name  HB2) 3.872 1.874 1.874 weight 1.000 ! spec=Expt_41, no=268, id=746, vol=1.208289e+07
assign (segid "   A" and resid   27 and name  HE1) (segid "   A" and resid    2 and name  HB1) 2.938 1.079 1.079 weight 1.000 ! spec=Expt_41, no=269, id=747, vol=1.218211e+07
    or (segid "   A" and resid   27 and name  HE2) (segid "   A" and resid    2 and name  HB1)
assign (segid "   A" and resid   27 and name  HD1) (segid "   A" and resid    2 and name  HB1) 2.543 0.808 0.808 weight 1.000 ! spec=Expt_41, no=270, id=748, vol=2.820786e+07
    or (segid "   A" and resid   27 and name  HD2) (segid "   A" and resid    2 and name  HB1)
assign (segid "   A" and resid   34 and name  HE1) (segid "   A" and resid    0 and name  HA1) 3.327 0.899 0.99 weight 1.000 ! spec=Expt_41, no=271, id=749, vol=2.526997e+07
    or (segid "   A" and resid   34 and name  HE1) (segid "   A" and resid    0 and name  HA2)
    or (segid "   A" and resid   34 and name  HE1) (segid "   A" and resid    0 and name  HA3)
    or (segid "   A" and resid   34 and name  HE2) (segid "   A" and resid    0 and name  HA1)
    or (segid "   A" and resid   34 and name  HE2) (segid "   A" and resid    0 and name  HA2)
    or (segid "   A" and resid   34 and name  HE2) (segid "   A" and resid    0 and name  HA3)
assign (segid "   A" and resid   16 and name   HN) (segid "   A" and resid   16 and name  HB2) 2.806 0.785 0.785 weight 1.000 ! spec=Expt_41, no=272, id=750, vol=2.529209e+07
assign (segid "   A" and resid   28 and name   HN) (segid "   A" and resid   28 and name  HB2) 2.501 0.782 0.782 weight 1.000 ! spec=Expt_41, no=276, id=754, vol=2.636489e+07
assign (segid "   A" and resid   20 and name  HD1) (segid "   A" and resid    5 and name  HB2) 2.863 1.025 1.025 weight 1.000 ! spec=Expt_41, no=277, id=755, vol=2.092512e+07
    or (segid "   A" and resid   20 and name  HD2) (segid "   A" and resid    5 and name  HB2)
assign (segid "   A" and resid   20 and name   HN) (segid "   A" and resid   19 and name  HB2) 2.857 1.020 1.020 weight 1.000 ! spec=Expt_41, no=279, id=757, vol=1.315939e+07
assign (segid "   A" and resid   26 and name  HB2) (segid "   A" and resid   27 and name   HN) 2.900 1.051 1.051 weight 1.000 ! spec=Expt_41, no=280, id=758, vol=1.282680e+07
assign (segid "   A" and resid   30 and name   HN) (segid "   A" and resid   29 and name  HB1) 3.529 1.556 1.556 weight 1.000 ! spec=Expt_41, no=289, id=764, vol=1.523527e+07
assign (segid "   A" and resid   16 and name   HN) (segid "   A" and resid   16 and name  HB1) 2.765 0.956 0.956 weight 1.000 ! spec=Expt_41, no=291, id=766, vol=1.908185e+07
assign (segid "   A" and resid   27 and name  HE1) (segid "   A" and resid    2 and name  HG2) 3.124 1.220 1.220 weight 1.000 ! spec=Expt_41, no=292, id=767, vol=1.205930e+07
    or (segid "   A" and resid   27 and name  HE2) (segid "   A" and resid    2 and name  HG2)
assign (segid "   A" and resid   20 and name  HD1) (segid "   A" and resid    5 and name  HG2) 3.356 1.408 1.408 weight 1.000 ! spec=Expt_41, no=294, id=768, vol=1.183288e+07
    or (segid "   A" and resid   20 and name  HD2) (segid "   A" and resid    5 and name  HG2)
assign (segid "   A" and resid    7 and name   HN) (segid "   A" and resid    7 and name  HB1) 2.466 0.760 0.760 weight 1.000 ! spec=Expt_41, no=295, id=769, vol=2.731680e+07
assign (segid "   A" and resid   25 and name   HN) (segid "   A" and resid   24 and name  HB1) 2.834 0.867 0.867 weight 1.000 ! spec=Expt_41, no=297, id=771, vol=2.180620e+07
assign (segid "   A" and resid   23 and name   HN) (segid "   A" and resid   22 and name  HB2) 2.346 0.688 0.688 weight 1.000 ! spec=Expt_41, no=298, id=772, vol=5.279494e+07
    or (segid "   A" and resid   23 and name   HN) (segid "   A" and resid   22 and name  HB1)
    or (segid "   A" and resid   23 and name   HN) (segid "   A" and resid   22 and name  HB3)
assign (segid "   A" and resid   22 and name   HN) (segid "   A" and resid   22 and name  HB2) 1.930 0.465 0.465 weight 1.000 ! spec=Expt_41, no=299, id=773, vol=9.003594e+07
    or (segid "   A" and resid   22 and name   HN) (segid "   A" and resid   22 and name  HB1)
    or (segid "   A" and resid   22 and name   HN) (segid "   A" and resid   22 and name  HB3)
assign (segid "   A" and resid   33 and name   HN) (segid "   A" and resid   32 and name  HB3) 2.248 0.631 0.631 weight 1.000 ! spec=Expt_41, no=302, id=775, vol=4.377230e+07
    or (segid "   A" and resid   33 and name   HN) (segid "   A" and resid   32 and name  HB1)
    or (segid "   A" and resid   33 and name   HN) (segid "   A" and resid   32 and name  HB2)
assign (segid "   A" and resid   32 and name   HN) (segid "   A" and resid   32 and name  HB3) 2.082 0.542 0.542 weight 1.000 ! spec=Expt_41, no=305, id=778, vol=1.074452e+08
    or (segid "   A" and resid   32 and name   HN) (segid "   A" and resid   32 and name  HB1)
    or (segid "   A" and resid   32 and name   HN) (segid "   A" and resid   32 and name  HB2)
assign (segid "   A" and resid   26 and name   HN) (segid "   A" and resid   25 and name  HB1) 2.446 0.748 0.748 weight 1.000 ! spec=Expt_41, no=307, id=779, vol=5.367843e+07
    or (segid "   A" and resid   26 and name   HN) (segid "   A" and resid   25 and name  HB2)
    or (segid "   A" and resid   26 and name   HN) (segid "   A" and resid   25 and name  HB3)
assign (segid "   A" and resid   25 and name   HN) (segid "   A" and resid   25 and name  HB1) 1.957 0.479 0.479 weight 1.000 ! spec=Expt_41, no=308, id=780, vol=9.162731e+07
    or (segid "   A" and resid   25 and name   HN) (segid "   A" and resid   25 and name  HB2)
    or (segid "   A" and resid   25 and name   HN) (segid "   A" and resid   25 and name  HB3)
assign (segid "   A" and resid   19 and name   HN) (segid "   A" and resid   18 and name  HB3) 2.446 0.748 0.748 weight 1.000 ! spec=Expt_41, no=310, id=782, vol=4.360656e+07
    or (segid "   A" and resid   19 and name   HN) (segid "   A" and resid   18 and name  HB1)
    or (segid "   A" and resid   19 and name   HN) (segid "   A" and resid   18 and name  HB2)
assign (segid "   A" and resid   13 and name   HN) (segid "   A" and resid   13 and name HG23) 2.018 0.509 0.509 weight 1.000 ! spec=Expt_41, no=314, id=785, vol=7.178056e+07
    or (segid "   A" and resid   13 and name   HN) (segid "   A" and resid   13 and name HG21)
    or (segid "   A" and resid   13 and name   HN) (segid "   A" and resid   13 and name HG22)
assign (segid "   A" and resid   12 and name   HN) (segid "   A" and resid   12 and name  HB1) 1.947 0.474 0.474 weight 1.000 ! spec=Expt_41, no=315, id=786, vol=9.337473e+07
    or (segid "   A" and resid   12 and name   HN) (segid "   A" and resid   12 and name  HB2)
    or (segid "   A" and resid   12 and name   HN) (segid "   A" and resid   12 and name  HB3)
assign (segid "   A" and resid   13 and name   HN) (segid "   A" and resid   12 and name  HB1) 2.350 0.690 0.690 weight 1.000 ! spec=Expt_41, no=317, id=788, vol=4.351436e+07
    or (segid "   A" and resid   13 and name   HN) (segid "   A" and resid   12 and name  HB2)
    or (segid "   A" and resid   13 and name   HN) (segid "   A" and resid   12 and name  HB3)
assign (segid "   A" and resid    6 and name   HN) (segid "   A" and resid    6 and name HG23) 2.825 0.797 0.797 weight 1.000 ! spec=Expt_41, no=319, id=790, vol=1.852071e+07
    or (segid "   A" and resid    6 and name   HN) (segid "   A" and resid    6 and name HG22)
    or (segid "   A" and resid    6 and name   HN) (segid "   A" and resid    6 and name HG21)
assign (segid "   A" and resid    7 and name   HN) (segid "   A" and resid    6 and name HG23) 2.823 0.618 0.618 weight 1.000 ! spec=Expt_41, no=320, id=791, vol=3.662492e+07
    or (segid "   A" and resid    7 and name   HN) (segid "   A" and resid    6 and name HG22)
    or (segid "   A" and resid    7 and name   HN) (segid "   A" and resid    6 and name HG21)
assign (segid "   A" and resid    3 and name   HN) (segid "   A" and resid    3 and name HG21) 3.330 1.387 1.387 weight 1.000 ! spec=Expt_41, no=321, id=792, vol=1.442041e+07
    or (segid "   A" and resid    3 and name   HN) (segid "   A" and resid    3 and name HG22)
    or (segid "   A" and resid    3 and name   HN) (segid "   A" and resid    3 and name HG23)
assign (segid "   A" and resid    4 and name   HN) (segid "   A" and resid    3 and name HG21) 2.298 0.660 0.660 weight 1.000 ! spec=Expt_41, no=322, id=793, vol=3.605564e+07
    or (segid "   A" and resid    4 and name   HN) (segid "   A" and resid    3 and name HG22)
    or (segid "   A" and resid    4 and name   HN) (segid "   A" and resid    3 and name HG23)
assign (segid "   A" and resid   24 and name   HN) (segid "   A" and resid   24 and name HD21) 3.068 1.177 1.177 weight 1.000 ! spec=Expt_41, no=325, id=796, vol=2.440872e+07
    or (segid "   A" and resid   24 and name   HN) (segid "   A" and resid   24 and name HD22)
    or (segid "   A" and resid   24 and name   HN) (segid "   A" and resid   24 and name HD23)
assign (segid "   A" and resid   28 and name   HN) (segid "   A" and resid   24 and name HD21) 3.013 1.135 1.135 weight 1.000 ! spec=Expt_41, no=326, id=797, vol=1.241238e+07
    or (segid "   A" and resid   28 and name   HN) (segid "   A" and resid   24 and name HD22)
    or (segid "   A" and resid   28 and name   HN) (segid "   A" and resid   24 and name HD23)
assign (segid "   A" and resid   25 and name   HN) (segid "   A" and resid   24 and name HD21) 3.312 1.211 1.211 weight 1.000 ! spec=Expt_41, no=327, id=798, vol=1.448921e+07
    or (segid "   A" and resid   25 and name   HN) (segid "   A" and resid   24 and name HD22)
    or (segid "   A" and resid   25 and name   HN) (segid "   A" and resid   24 and name HD23)
assign (segid "   A" and resid   28 and name HE21) (segid "   A" and resid   24 and name HD21) 3.370 0.902 0.902 weight 1.000 ! spec=Expt_41, no=328, id=799, vol=1.974161e+07
    or (segid "   A" and resid   28 and name HE21) (segid "   A" and resid   24 and name HD22)
    or (segid "   A" and resid   28 and name HE21) (segid "   A" and resid   24 and name HD23)
assign (segid "   A" and resid   27 and name  HD1) (segid "   A" and resid   31 and name HD21) 2.880 0.594 0.594 weight 1.000 ! spec=Expt_41, no=329, id=800, vol=8.258516e+07
    or (segid "   A" and resid   27 and name  HD1) (segid "   A" and resid   31 and name HD22)
    or (segid "   A" and resid   27 and name  HD1) (segid "   A" and resid   31 and name HD23)
    or (segid "   A" and resid   27 and name  HD2) (segid "   A" and resid   31 and name HD21)
    or (segid "   A" and resid   27 and name  HD2) (segid "   A" and resid   31 and name HD22)
    or (segid "   A" and resid   27 and name  HD2) (segid "   A" and resid   31 and name HD23)
assign (segid "   A" and resid   31 and name   HN) (segid "   A" and resid   31 and name HD21) 3.365 1.026 1.026 weight 1.000 ! spec=Expt_41, no=331, id=802, vol=2.487835e+07
    or (segid "   A" and resid   31 and name   HN) (segid "   A" and resid   31 and name HD22)
    or (segid "   A" and resid   31 and name   HN) (segid "   A" and resid   31 and name HD23)
assign (segid "   A" and resid   27 and name  HE1) (segid "   A" and resid   31 and name HD21) 2.810 0.5456 0.5456 weight 1.000 ! spec=Expt_41, no=333, id=804, vol=4.978103e+07
    or (segid "   A" and resid   27 and name  HE1) (segid "   A" and resid   31 and name HD22)
    or (segid "   A" and resid   27 and name  HE1) (segid "   A" and resid   31 and name HD23)
    or (segid "   A" and resid   27 and name  HE2) (segid "   A" and resid   31 and name HD21)
    or (segid "   A" and resid   27 and name  HE2) (segid "   A" and resid   31 and name HD22)
    or (segid "   A" and resid   27 and name  HE2) (segid "   A" and resid   31 and name HD23)
assign (segid "   A" and resid   17 and name   HN) (segid "   A" and resid   17 and name   HA) 2.607 0.849 0.849 weight 1.000 ! spec=Expt_41, no=350, id=821, vol=3.426706e+07
assign (segid "   A" and resid   13 and name   HA) (segid "   A" and resid   13 and name   HB) 2.747 0.944 0.944 weight 1.000 ! spec=Expt_41, no=440, id=905, vol=2.004402e+07
assign (segid "   A" and resid    1 and name   HA) (segid "   A" and resid    2 and name  HD2) 2.420 0.732 0.732 weight 1.000 ! spec=Expt_41, no=457, id=922, vol=3.736355e+07
assign (segid "   A" and resid   34 and name   HA) (segid "   A" and resid   34 and name  HB1) 3.146 1.237 1.237 weight 1.000 ! spec=Expt_41, no=458, id=923, vol=2.034274e+07
assign (segid "   A" and resid   27 and name   HA) (segid "   A" and resid   27 and name  HB2) 2.751 0.946 0.946 weight 1.000 ! spec=Expt_41, no=469, id=934, vol=2.018225e+07
assign (segid "   A" and resid    8 and name   HA) (segid "   A" and resid    8 and name  HB2) 2.505 0.784 0.784 weight 1.000 ! spec=Expt_41, no=475, id=938, vol=3.567812e+07
assign (segid "   A" and resid   14 and name  HB1) (segid "   A" and resid   14 and name   HA) 2.666 0.889 0.889 weight 1.000 ! spec=Expt_41, no=479, id=942, vol=2.307975e+07
assign (segid "   A" and resid   16 and name   HA) (segid "   A" and resid   19 and name  HB2) 2.744 0.941 0.941 weight 1.000 ! spec=Expt_41, no=484, id=947, vol=1.641944e+07
assign (segid "   A" and resid   26 and name  HB1) (segid "   A" and resid   26 and name   HA) 2.303 0.663 0.663 weight 1.000 ! spec=Expt_41, no=490, id=953, vol=5.261502e+07
assign (segid "   A" and resid   17 and name  HB2) (segid "   A" and resid   14 and name   HA) 3.057 1.168 1.168 weight 1.000 ! spec=Expt_41, no=494, id=957, vol=1.224661e+07
assign (segid "   A" and resid   18 and name  HB3) (segid "   A" and resid   18 and name   HA) 1.793 0.402 0.402 weight 1.000 ! spec=Expt_41, no=495, id=958, vol=1.380249e+08
    or (segid "   A" and resid   18 and name  HB1) (segid "   A" and resid   18 and name   HA)
    or (segid "   A" and resid   18 and name  HB2) (segid "   A" and resid   18 and name   HA)
assign (segid "   A" and resid   17 and name  HB2) (segid "   A" and resid   17 and name   HA) 2.657 0.882 0.882 weight 1.000 ! spec=Expt_41, no=499, id=962, vol=2.251053e+07
assign (segid "   A" and resid   26 and name  HG2) (segid "   A" and resid   26 and name   HA) 2.827 0.514 0.514 weight 1.000 ! spec=Expt_41, no=501, id=963, vol=1.522877e+08
    or (segid "   A" and resid   26 and name  HG1) (segid "   A" and resid   26 and name   HA)
assign (segid "   A" and resid   15 and name   HN) (segid "   A" and resid   14 and name  HD1) 3.892 1.893 1.893 weight 1.000 ! spec=Expt_41, no=503, id=965, vol=8.365236e+06
assign (segid "   A" and resid    2 and name  HB2) (segid "   A" and resid    3 and name   HN) 3.785 1.791 1.791 weight 1.000 ! spec=Expt_41, no=512, id=973, vol=9.273707e+06
assign (segid "   A" and resid   15 and name  HG2) (segid "   A" and resid   15 and name   HN) 4.406 2.427 2.427 weight 1.000 ! spec=Expt_41, no=515, id=976, vol=6.848619e+06
assign (segid "   A" and resid   14 and name  HG2) (segid "   A" and resid   14 and name  HD1) 2.612 0.853 0.853 weight 1.000 ! spec=Expt_41, no=517, id=978, vol=1.999937e+07
assign (segid "   A" and resid   14 and name  HD1) (segid "   A" and resid   13 and name HG23) 3.261 1.330 1.330 weight 1.000 ! spec=Expt_41, no=519, id=980, vol=1.734297e+07
    or (segid "   A" and resid   14 and name  HD1) (segid "   A" and resid   13 and name HG21)
    or (segid "   A" and resid   14 and name  HD1) (segid "   A" and resid   13 and name HG22)
assign (segid "   A" and resid   14 and name  HD2) (segid "   A" and resid   13 and name HG23) 3.155 1.244 1.244 weight 1.000 ! spec=Expt_41, no=520, id=981, vol=1.832322e+07
    or (segid "   A" and resid   14 and name  HD2) (segid "   A" and resid   13 and name HG21)
    or (segid "   A" and resid   14 and name  HD2) (segid "   A" and resid   13 and name HG22)
assign (segid "   A" and resid    6 and name   HB) (segid "   A" and resid    6 and name HG23) 1.873 0.439 0.439 weight 1.000 ! spec=Expt_41, no=521, id=982, vol=9.687602e+07
    or (segid "   A" and resid    6 and name   HB) (segid "   A" and resid    6 and name HG22)
    or (segid "   A" and resid    6 and name   HB) (segid "   A" and resid    6 and name HG21)
assign (segid "   A" and resid    3 and name   HB) (segid "   A" and resid    3 and name HG21) 1.924 0.463 0.463 weight 1.000 ! spec=Expt_41, no=522, id=983, vol=8.937722e+07
    or (segid "   A" and resid    3 and name   HB) (segid "   A" and resid    3 and name HG22)
    or (segid "   A" and resid    3 and name   HB) (segid "   A" and resid    3 and name HG23)
assign (segid "   A" and resid   24 and name   HA) (segid "   A" and resid   24 and name HD21) 1.990 0.495 0.495 weight 1.000 ! spec=Expt_41, no=523, id=984, vol=6.498695e+07
    or (segid "   A" and resid   24 and name   HA) (segid "   A" and resid   24 and name HD22)
    or (segid "   A" and resid   24 and name   HA) (segid "   A" and resid   24 and name HD23)
assign (segid "   A" and resid   31 and name   HA) (segid "   A" and resid   31 and name HD21) 2.823 0.8511 0.811 weight 1.000 ! spec=Expt_41, no=524, id=985, vol=5.955529e+07
    or (segid "   A" and resid   31 and name   HA) (segid "   A" and resid   31 and name HD22)
    or (segid "   A" and resid   31 and name   HA) (segid "   A" and resid   31 and name HD23)
assign (segid "   A" and resid   28 and name   HA) (segid "   A" and resid   31 and name HD21) 3.341 1.082 1.082 weight 1.000 ! spec=Expt_41, no=526, id=987, vol=1.786031e+07
    or (segid "   A" and resid   28 and name   HA) (segid "   A" and resid   31 and name HD22)
    or (segid "   A" and resid   28 and name   HA) (segid "   A" and resid   31 and name HD23)
assign (segid "   A" and resid   21 and name   HA) (segid "   A" and resid   24 and name HD13) 3.207 1.285 1.285 weight 1.000 ! spec=Expt_41, no=528, id=989, vol=1.052504e+07
    or (segid "   A" and resid   21 and name   HA) (segid "   A" and resid   24 and name HD12)
    or (segid "   A" and resid   21 and name   HA) (segid "   A" and resid   24 and name HD11)
assign (segid "   A" and resid   31 and name   HA) (segid "   A" and resid   31 and name HD11) 2.515 0.790 0.790 weight 1.000 ! spec=Expt_41, no=529, id=990, vol=1.825556e+07
    or (segid "   A" and resid   31 and name   HA) (segid "   A" and resid   31 and name HD13)
    or (segid "   A" and resid   31 and name   HA) (segid "   A" and resid   31 and name HD12)
assign (segid "   A" and resid    1 and name   HA) (segid "   A" and resid    1 and name  HB1) 3.070 1.178 1.178 weight 1.000 ! spec=Expt_41, no=531, id=992, vol=1.987930e+07
assign (segid "   A" and resid    7 and name   HA) (segid "   A" and resid    7 and name  HB1) 2.873 1.032 1.032 weight 1.000 ! spec=Expt_41, no=534, id=994, vol=2.492201e+07
assign (segid "   A" and resid   21 and name   HA) (segid "   A" and resid   24 and name  HB1) 2.637 0.869 0.869 weight 1.000 ! spec=Expt_41, no=535, id=995, vol=2.072873e+07
assign (segid "   A" and resid    3 and name   HA) (segid "   A" and resid    3 and name HG21) 2.130 0.567 0.567 weight 1.000 ! spec=Expt_41, no=541, id=1000, vol=5.925466e+07
    or (segid "   A" and resid    3 and name   HA) (segid "   A" and resid    3 and name HG22)
    or (segid "   A" and resid    3 and name   HA) (segid "   A" and resid    3 and name HG23)
assign (segid "   A" and resid   14 and name   HA) (segid "   A" and resid   17 and name HD21) 2.353 0.692 0.692 weight 1.000 ! spec=Expt_41, no=542, id=1001, vol=3.778380e+07
    or (segid "   A" and resid   14 and name   HA) (segid "   A" and resid   17 and name HD23)
    or (segid "   A" and resid   14 and name   HA) (segid "   A" and resid   17 and name HD22)
assign (segid "   A" and resid   17 and name   HA) (segid "   A" and resid   17 and name HD21) 2.965 1.099 1.099 weight 1.000 ! spec=Expt_41, no=543, id=1002, vol=2.330152e+07
    or (segid "   A" and resid   17 and name   HA) (segid "   A" and resid   17 and name HD23)
    or (segid "   A" and resid   17 and name   HA) (segid "   A" and resid   17 and name HD22)
assign (segid "   A" and resid   17 and name   HA) (segid "   A" and resid   17 and name HD13) 2.029 0.515 0.515 weight 1.000 ! spec=Expt_41, no=544, id=1003, vol=6.680200e+07
    or (segid "   A" and resid   17 and name   HA) (segid "   A" and resid   17 and name HD11)
    or (segid "   A" and resid   17 and name   HA) (segid "   A" and resid   17 and name HD12)
assign (segid "   A" and resid   22 and name  HB2) (segid "   A" and resid   22 and name   HA) 1.881 0.442 0.442 weight 1.000 ! spec=Expt_41, no=547, id=1006, vol=1.149133e+08
    or (segid "   A" and resid   22 and name  HB1) (segid "   A" and resid   22 and name   HA)
    or (segid "   A" and resid   22 and name  HB3) (segid "   A" and resid   22 and name   HA)
assign (segid "   A" and resid   13 and name HG23) (segid "   A" and resid   13 and name   HB) 1.963 0.482 0.482 weight 1.000 ! spec=Expt_41, no=549, id=1008, vol=6.213408e+07
    or (segid "   A" and resid   13 and name HG21) (segid "   A" and resid   13 and name   HB)
    or (segid "   A" and resid   13 and name HG22) (segid "   A" and resid   13 and name   HB)
assign (segid "   A" and resid   14 and name  HG2) (segid "   A" and resid   13 and name   HA) 4.236 2.242 2.242 weight 1.000 ! spec=Expt_41, no=550, id=1009, vol=1.008775e+07
assign (segid "   A" and resid    8 and name  HG2) (segid "   A" and resid    8 and name   HA) 3.227 1.302 1.302 weight 1.000 ! spec=Expt_41, no=556, id=1015, vol=1.511146e+07
assign (segid "   A" and resid   13 and name HG23) (segid "   A" and resid   12 and name   HA) 3.398 1.443 1.443 weight 1.000 ! spec=Expt_41, no=558, id=1017, vol=1.664166e+07
    or (segid "   A" and resid   13 and name HG21) (segid "   A" and resid   12 and name   HA)
    or (segid "   A" and resid   13 and name HG22) (segid "   A" and resid   12 and name   HA)
assign (segid "   A" and resid   12 and name  HB1) (segid "   A" and resid   12 and name   HA) 1.988 0.494 0.494 weight 1.000 ! spec=Expt_41, no=571, id=1029, vol=6.814751e+07
    or (segid "   A" and resid   12 and name  HB2) (segid "   A" and resid   12 and name   HA)
    or (segid "   A" and resid   12 and name  HB3) (segid "   A" and resid   12 and name   HA)
assign (segid "   A" and resid   14 and name  HG2) (segid "   A" and resid   14 and name  HB1) 2.485 0.772 0.772 weight 1.000 ! spec=Expt_41, no=576, id=1032, vol=3.081924e+07
assign (segid "   A" and resid   28 and name  HG1) (segid "   A" and resid   24 and name HD21) 2.548 0.812 0.812 weight 1.000 ! spec=Expt_41, no=580, id=1036, vol=1.126368e+07
    or (segid "   A" and resid   28 and name  HG1) (segid "   A" and resid   24 and name HD22)
    or (segid "   A" and resid   28 and name  HG1) (segid "   A" and resid   24 and name HD23)
assign (segid "   A" and resid   28 and name  HG2) (segid "   A" and resid   24 and name HD21) 3.382 1.430 1.430 weight 1.000 ! spec=Expt_41, no=581, id=1037, vol=9.951443e+06
    or (segid "   A" and resid   28 and name  HG2) (segid "   A" and resid   24 and name HD22)
    or (segid "   A" and resid   28 and name  HG2) (segid "   A" and resid   24 and name HD23)
assign (segid "   A" and resid   14 and name  HB1) (segid "   A" and resid   14 and name  HD2) 3.864 1.867 1.867 weight 1.000 ! spec=Expt_41, no=588, id=1043, vol=1.054080e+07
assign (segid "   A" and resid   14 and name  HB1) (segid "   A" and resid   14 and name  HD1) 4.147 2.150 2.150 weight 1.000 ! spec=Expt_41, no=589, id=1044, vol=7.442449e+06
assign (segid "   A" and resid   12 and name   HN) (segid "   A" and resid   11 and name   HA) 2.730 0.931 0.931 weight 1.000 ! spec=Expt_41, no=591, id=1045, vol=2.737224e+07
assign (segid "   A" and resid   20 and name  HD1) (segid "   A" and resid   20 and name   HA) 2.829 1.001 1.001 weight 1.000 ! spec=Expt_41, no=594, id=1048, vol=2.467988e+07
    or (segid "   A" and resid   20 and name  HD2) (segid "   A" and resid   20 and name   HA)
assign (segid "   A" and resid   13 and name   HN) (segid "   A" and resid   16 and name  HB1) 3.993 1.119 1.119 weight 1.000 ! spec=Expt_41, no=601, id=1055, vol=1.047275e+07
assign (segid "   A" and resid   11 and name HD21) (segid "   A" and resid    8 and name  HB1) 4.051 1.489 1.489 weight 1.000 ! spec=Expt_41, no=602, id=1056, vol=1.059406e+07
assign (segid "   A" and resid   22 and name   HN) (segid "   A" and resid   21 and name   HA) 3.327 1.384 1.384 weight 1.000 ! spec=Expt_41, no=604, id=1058, vol=1.049348e+07
assign (segid "   A" and resid   21 and name   HA) (segid "   A" and resid   25 and name   HN) 3.610 1.629 1.629 weight 1.000 ! spec=Expt_41, no=605, id=1059, vol=7.506580e+06
assign (segid "   A" and resid   31 and name   HA) (segid "   A" and resid   32 and name   HN) 3.400 1.445 1.445 weight 1.000 ! spec=Expt_41, no=608, id=1061, vol=8.786051e+06
assign (segid "   A" and resid   21 and name   HA) (segid "   A" and resid   21 and name  HB2) 2.963 1.097 1.097 weight 1.000 ! spec=Expt_41, no=619, id=1072, vol=2.395600e+07
assign (segid "   A" and resid   23 and name  HB1) (segid "   A" and resid   23 and name   HA) 3.008 1.131 1.131 weight 1.000 ! spec=Expt_41, no=625, id=1077, vol=1.328517e+07
assign (segid "   A" and resid   26 and name  HB2) (segid "   A" and resid   23 and name   HA) 3.009 1.131 1.131 weight 1.000 ! spec=Expt_41, no=631, id=1082, vol=1.221893e+07
assign (segid "   A" and resid   15 and name   HA) (segid "   A" and resid   14 and name  HB2) 3.439 1.478 1.478 weight 1.000 ! spec=Expt_41, no=634, id=1085, vol=7.178882e+06
assign (segid "   A" and resid   14 and name  HD1) (segid "   A" and resid   14 and name  HB2) 3.914 1.915 1.915 weight 1.000 ! spec=Expt_41, no=640, id=1090, vol=8.862004e+06
assign (segid "   A" and resid   14 and name  HD2) (segid "   A" and resid   14 and name  HB2) 3.330 1.386 1.386 weight 1.000 ! spec=Expt_41, no=641, id=1091, vol=6.954256e+06
assign (segid "   A" and resid   15 and name  HB2) (segid "   A" and resid   15 and name  HB1) 2.027 0.513 0.513 weight 1.000 ! spec=Expt_41, no=649, id=1099, vol=6.512785e+07
assign (segid "   A" and resid    8 and name  HB2) (segid "   A" and resid    8 and name  HB1) 2.158 0.582 0.582 weight 1.000 ! spec=Expt_41, no=652, id=1101, vol=4.580313e+07
assign (segid "   A" and resid    8 and name  HG1) (segid "   A" and resid    8 and name  HG2) 2.271 0.644 0.644 weight 1.000 ! spec=Expt_41, no=653, id=1102, vol=3.220199e+07
assign (segid "   A" and resid    2 and name  HB2) (segid "   A" and resid    2 and name  HB1) 2.221 0.617 0.617 weight 1.000 ! spec=Expt_41, no=656, id=1103, vol=3.261008e+07
assign (segid "   A" and resid   28 and name  HG1) (segid "   A" and resid   28 and name  HB2) 2.933 1.075 1.075 weight 1.000 ! spec=Expt_41, no=661, id=1108, vol=1.236637e+07
assign (segid "   A" and resid   28 and name  HG2) (segid "   A" and resid   28 and name  HB2) 3.025 1.143 1.143 weight 1.000 ! spec=Expt_41, no=662, id=1109, vol=1.174427e+07
assign (segid "   A" and resid   14 and name  HG2) (segid "   A" and resid   14 and name  HB2) 3.214 1.291 1.291 weight 1.000 ! spec=Expt_41, no=664, id=1111, vol=2.406479e+07
assign (segid "   A" and resid   28 and name  HG1) (segid "   A" and resid   28 and name  HB1) 3.481 1.514 1.514 weight 1.000 ! spec=Expt_41, no=669, id=1115, vol=1.181082e+07
assign (segid "   A" and resid   34 and name  HB2) (segid "   A" and resid   34 and name  HB1) 2.367 0.700 0.700 weight 1.000 ! spec=Expt_41, no=673, id=1119, vol=2.819839e+07
assign (segid "   A" and resid   24 and name   HA) (segid "   A" and resid   24 and name HD13) 2.777 0.964 0.964 weight 1.000 ! spec=Expt_41, no=691, id=1133, vol=1.781781e+07
    or (segid "   A" and resid   24 and name   HA) (segid "   A" and resid   24 and name HD12)
    or (segid "   A" and resid   24 and name   HA) (segid "   A" and resid   24 and name HD11)
assign (segid "   A" and resid    4 and name   HA) (segid "   A" and resid    4 and name  HG1) 3.404 1.449 1.449 weight 1.000 ! spec=Expt_41, no=705, id=1144, vol=1.688726e+07
assign (segid "   A" and resid    5 and name  HB1) (segid "   A" and resid    5 and name  HB2) 2.238 0.626 0.626 weight 1.000 ! spec=Expt_41, no=707, id=1145, vol=3.626603e+07
assign (segid "   A" and resid   14 and name  HB2) (segid "   A" and resid   14 and name  HB1) 2.051 0.526 0.526 weight 1.000 ! spec=Expt_41, no=708, id=1146, vol=6.601747e+07
assign (segid "   A" and resid   17 and name  HB1) (segid "   A" and resid   17 and name   HA) 3.238 1.310 1.310 weight 1.000 ! spec=Expt_41, no=712, id=1150, vol=1.390209e+07
assign (segid "   A" and resid    2 and name  HD2) (segid "   A" and resid    2 and name  HG1) 2.890 1.044 1.044 weight 1.000 ! spec=Expt_41, no=714, id=1152, vol=1.380770e+07
assign (segid "   A" and resid    2 and name  HD2) (segid "   A" and resid   31 and name HD21) 3.905 1.055 1.055 weight 1.000 ! spec=Expt_41, no=715, id=1153, vol=1.618193e+07
    or (segid "   A" and resid    2 and name  HD2) (segid "   A" and resid   31 and name HD22)
    or (segid "   A" and resid    2 and name  HD2) (segid "   A" and resid   31 and name HD23)
assign (segid "   A" and resid    7 and name   HN) (segid "   A" and resid    7 and name  HG2) 3.207 1.285 1.285 weight 1.000 ! spec=Expt_41, no=719, id=1157, vol=7.013243e+06
assign (segid "   A" and resid    7 and name   HN) (segid "   A" and resid    7 and name  HG1) 4.260 2.268 2.268 weight 1.000 ! spec=Expt_41, no=720, id=1158, vol=6.693418e+06
assign (segid "   A" and resid    5 and name  HD2) (segid "   A" and resid    5 and name  HG2) 3.189 1.271 1.271 weight 1.000 ! spec=Expt_41, no=722, id=1160, vol=1.731607e+07
assign (segid "   A" and resid    7 and name  HG1) (segid "   A" and resid    7 and name  HG2) 2.183 0.596 0.596 weight 1.000 ! spec=Expt_41, no=724, id=1162, vol=3.300599e+07
assign (segid "   A" and resid    7 and name  HG1) (segid "   A" and resid    7 and name  HE2) 3.038 1.154 1.154 weight 1.000 ! spec=Expt_41, no=725, id=1163, vol=9.359628e+06
assign (segid "   A" and resid    7 and name  HG2) (segid "   A" and resid    7 and name  HE2) 3.007 1.131 1.131 weight 1.000 ! spec=Expt_41, no=726, id=1164, vol=1.131819e+07
assign (segid "   A" and resid    7 and name  HG2) (segid "   A" and resid    7 and name   HA) 3.196 1.277 1.277 weight 1.000 ! spec=Expt_41, no=727, id=1165, vol=8.973814e+06
assign (segid "   A" and resid    7 and name  HE1) (segid "   A" and resid    7 and name  HG1) 3.537 1.564 1.564 weight 1.000 ! spec=Expt_41, no=729, id=1166, vol=5.901074e+06
assign (segid "   A" and resid    7 and name  HE1) (segid "   A" and resid    7 and name  HG2) 4.162 2.165 2.165 weight 1.000 ! spec=Expt_41, no=730, id=1167, vol=5.225141e+06
assign (segid "   A" and resid    4 and name   HA) (segid "   A" and resid    4 and name  HB1) 3.215 1.292 1.292 weight 1.000 ! spec=Expt_41, no=733, id=1170, vol=1.528404e+07
assign (segid "   A" and resid   34 and name  HB1) (segid "   A" and resid   34 and name  HE1) 3.555 1.580 1.580 weight 1.000 ! spec=Expt_41, no=735, id=1172, vol=6.115634e+06
    or (segid "   A" and resid   34 and name  HB1) (segid "   A" and resid   34 and name  HE2)
assign (segid "   A" and resid   34 and name  HE1) (segid "   A" and resid    1 and name  HG2) 3.932 1.933 1.933 weight 1.000 ! spec=Expt_41, no=736, id=1173, vol=8.450688e+06
    or (segid "   A" and resid   34 and name  HE2) (segid "   A" and resid    1 and name  HG2)
assign (segid "   A" and resid   27 and name  HE1) (segid "   A" and resid    3 and name   HA) 3.654 1.669 1.669 weight 1.000 ! spec=Expt_41, no=738, id=1175, vol=5.512882e+06
    or (segid "   A" and resid   27 and name  HE2) (segid "   A" and resid    3 and name   HA)
assign (segid "   A" and resid   34 and name  HE1) (segid "   A" and resid   34 and name   HA) 3.711 1.721 1.721 weight 1.000 ! spec=Expt_41, no=739, id=1176, vol=5.336139e+06
    or (segid "   A" and resid   34 and name  HE2) (segid "   A" and resid   34 and name   HA)
assign (segid "   A" and resid    5 and name  HD2) (segid "   A" and resid   27 and name  HD1) 3.373 1.422 1.422 weight 1.000 ! spec=Expt_41, no=741, id=1178, vol=8.862819e+06
    or (segid "   A" and resid    5 and name  HD2) (segid "   A" and resid   27 and name  HD2)
assign (segid "   A" and resid   25 and name   HN) (segid "   A" and resid   24 and name HD13) 3.075 1.106 1.106 weight 1.000 ! spec=Expt_41, no=743, id=1180, vol=1.053356e+07
    or (segid "   A" and resid   25 and name   HN) (segid "   A" and resid   24 and name HD12)
    or (segid "   A" and resid   25 and name   HN) (segid "   A" and resid   24 and name HD11)
assign (segid "   A" and resid   32 and name   HN) (segid "   A" and resid   31 and name HD11) 3.321 1.378 1.378 weight 1.000 ! spec=Expt_41, no=744, id=1181, vol=9.472996e+06
    or (segid "   A" and resid   32 and name   HN) (segid "   A" and resid   31 and name HD13)
    or (segid "   A" and resid   32 and name   HN) (segid "   A" and resid   31 and name HD12)
assign (segid "   A" and resid   27 and name   HN) (segid "   A" and resid   24 and name HD21) 3.459 1.495 1.495 weight 1.000 ! spec=Expt_41, no=748, id=1182, vol=8.889096e+06
    or (segid "   A" and resid   27 and name   HN) (segid "   A" and resid   24 and name HD22)
    or (segid "   A" and resid   27 and name   HN) (segid "   A" and resid   24 and name HD23)
assign (segid "   A" and resid    4 and name   HN) (segid "   A" and resid    4 and name  HD1) 4.720 2.785 2.785 weight 1.000 ! spec=Expt_41, no=749, id=1183, vol=5.121058e+06
assign (segid "   A" and resid   27 and name  HE1) (segid "   A" and resid    4 and name  HD1) 4.085 1.349 1.349 weight 1.000 ! spec=Expt_41, no=750, id=1184, vol=8.461508e+06
    or (segid "   A" and resid   27 and name  HE2) (segid "   A" and resid    4 and name  HD1)
assign (segid "   A" and resid   33 and name   HA) (segid "   A" and resid   34 and name   HN) 3.393 1.439 1.439 weight 1.000 ! spec=Expt_41, no=755, id=1189, vol=9.908907e+06
assign (segid "   A" and resid   15 and name   HN) (segid "   A" and resid   13 and name   HA) 3.682 1.694 1.694 weight 1.000 ! spec=Expt_41, no=758, id=1191, vol=8.334570e+06
assign (segid "   A" and resid   19 and name   HN) (segid "   A" and resid   18 and name   HA) 3.220 1.296 1.296 weight 1.000 ! spec=Expt_41, no=761, id=1194, vol=1.053742e+07
assign (segid "   A" and resid    2 and name  HB2) (segid "   A" and resid   27 and name  HD1) 3.646 1.662 1.662 weight 1.000 ! spec=Expt_41, no=767, id=1199, vol=9.031533e+06
    or (segid "   A" and resid    2 and name  HB2) (segid "   A" and resid   27 and name  HD2)
assign (segid "   A" and resid   14 and name  HD2) (segid "   A" and resid   14 and name  HG1) 2.805 0.984 0.984 weight 1.000 ! spec=Expt_41, no=776, id=1208, vol=1.324874e+07
assign (segid "   A" and resid   17 and name  HB1) (segid "   A" and resid   17 and name HD21) 2.249 0.632 0.632 weight 1.000 ! spec=Expt_41, no=777, id=1209, vol=3.211323e+07
    or (segid "   A" and resid   17 and name  HB1) (segid "   A" and resid   17 and name HD23)
    or (segid "   A" and resid   17 and name  HB1) (segid "   A" and resid   17 and name HD22)
assign (segid "   A" and resid   17 and name  HB1) (segid "   A" and resid   17 and name HD13) 2.944 1.083 1.083 weight 1.000 ! spec=Expt_41, no=778, id=1210, vol=1.993311e+07
    or (segid "   A" and resid   17 and name  HB1) (segid "   A" and resid   17 and name HD11)
    or (segid "   A" and resid   17 and name  HB1) (segid "   A" and resid   17 and name HD12)
assign (segid "   A" and resid    2 and name  HG2) (segid "   A" and resid   31 and name HD21) 3.344 0.687 0.687 weight 1.000 ! spec=Expt_41, no=779, id=1211, vol=1.932466e+07
    or (segid "   A" and resid    2 and name  HG2) (segid "   A" and resid   31 and name HD22)
    or (segid "   A" and resid    2 and name  HG2) (segid "   A" and resid   31 and name HD23)
assign (segid "   A" and resid   17 and name  HB2) (segid "   A" and resid   17 and name HD21) 2.056 0.528 0.528 weight 1.000 ! spec=Expt_41, no=781, id=1213, vol=6.263761e+07
    or (segid "   A" and resid   17 and name  HB2) (segid "   A" and resid   17 and name HD23)
    or (segid "   A" and resid   17 and name  HB2) (segid "   A" and resid   17 and name HD22)
assign (segid "   A" and resid   17 and name  HB2) (segid "   A" and resid   17 and name HD13) 1.988 0.494 0.494 weight 1.000 ! spec=Expt_41, no=782, id=1214, vol=5.615324e+07
    or (segid "   A" and resid   17 and name  HB2) (segid "   A" and resid   17 and name HD11)
    or (segid "   A" and resid   17 and name  HB2) (segid "   A" and resid   17 and name HD12)
assign (segid "   A" and resid   31 and name  HB2) (segid "   A" and resid   31 and name HD21) 2.570 0.825 0.825 weight 1.000 ! spec=Expt_41, no=783, id=1215, vol=4.402854e+07
    or (segid "   A" and resid   31 and name  HB2) (segid "   A" and resid   31 and name HD22)
    or (segid "   A" and resid   31 and name  HB2) (segid "   A" and resid   31 and name HD23)
assign (segid "   A" and resid   24 and name  HB1) (segid "   A" and resid   24 and name HD21) 2.403 0.722 0.722 weight 1.000 ! spec=Expt_41, no=784, id=1216, vol=5.358292e+07
    or (segid "   A" and resid   24 and name  HB1) (segid "   A" and resid   24 and name HD22)
    or (segid "   A" and resid   24 and name  HB1) (segid "   A" and resid   24 and name HD23)
assign (segid "   A" and resid   24 and name HD13) (segid "   A" and resid   24 and name  HB1) 2.110 0.556 0.556 weight 1.000 ! spec=Expt_41, no=792, id=1224, vol=3.659776e+07
    or (segid "   A" and resid   24 and name HD12) (segid "   A" and resid   24 and name  HB1)
    or (segid "   A" and resid   24 and name HD11) (segid "   A" and resid   24 and name  HB1)
assign (segid "   A" and resid   31 and name HD11) (segid "   A" and resid   31 and name  HB2) 2.223 0.618 0.618 weight 1.000 ! spec=Expt_41, no=794, id=1225, vol=3.141779e+07
    or (segid "   A" and resid   31 and name HD13) (segid "   A" and resid   31 and name  HB2)
    or (segid "   A" and resid   31 and name HD12) (segid "   A" and resid   31 and name  HB2)
assign (segid "   A" and resid    5 and name  HD1) (segid "   A" and resid    5 and name  HG2) 2.379 0.707 0.707 weight 1.000 ! spec=Expt_41, no=798, id=1229, vol=4.003075e+07
assign (segid "   A" and resid    4 and name  HG2) (segid "   A" and resid    4 and name   HA) 3.309 0.787 0.787 weight 1.000 ! spec=Expt_41, no=799, id=1230, vol=3.762924e+07
assign (segid "   A" and resid    5 and name  HG1) (segid "   A" and resid    5 and name  HD1) 3.251 1.321 1.321 weight 1.000 ! spec=Expt_41, no=800, id=1231, vol=1.734917e+07
assign (segid "   A" and resid    2 and name  HG2) (segid "   A" and resid    2 and name  HD1) 2.752 0.946 0.946 weight 1.000 ! spec=Expt_41, no=801, id=1232, vol=1.775001e+07
assign (segid "   A" and resid    2 and name  HG2) (segid "   A" and resid    2 and name  HD2) 2.860 1.022 1.022 weight 1.000 ! spec=Expt_41, no=803, id=1233, vol=1.817308e+07
assign (segid "   A" and resid    2 and name  HD1) (segid "   A" and resid    2 and name  HG1) 2.883 1.039 1.039 weight 1.000 ! spec=Expt_41, no=804, id=1234, vol=1.527633e+07
assign (segid "   A" and resid    2 and name  HG1) (segid "   A" and resid   31 and name   HA) 3.293 1.355 1.355 weight 1.000 ! spec=Expt_41, no=814, id=1240, vol=9.173115e+06
assign (segid "   A" and resid   31 and name   HA) (segid "   A" and resid   31 and name  HB1) 3.083 1.188 1.188 weight 1.000 ! spec=Expt_41, no=816, id=1242, vol=9.133730e+06
assign (segid "   A" and resid   23 and name   HN) (segid "   A" and resid   23 and name  HB1) 3.241 1.313 1.313 weight 1.000 ! spec=Expt_41, no=820, id=1246, vol=1.523755e+07
assign (segid "   A" and resid   14 and name  HG2) (segid "   A" and resid   14 and name   HA) 3.050 1.163 1.163 weight 1.000 ! spec=Expt_41, no=821, id=1247, vol=1.444478e+07
assign (segid "   A" and resid    8 and name  HB1) (segid "   A" and resid   12 and name  HB1) 5.000 1.100 1.100 weight 1.000 ! spec=Expt_41, no=829, id=1253, vol=4.068513e+07
    or (segid "   A" and resid    8 and name  HB1) (segid "   A" and resid   12 and name  HB2)
    or (segid "   A" and resid    8 and name  HB1) (segid "   A" and resid   12 and name  HB3)
assign (segid "   A" and resid   26 and name   HA) (segid "   A" and resid   26 and name  HB2) 3.056 1.167 1.167 weight 1.000 ! spec=Expt_41, no=839, id=1261, vol=2.049763e+07
assign (segid "   A" and resid   15 and name   HA) (segid "   A" and resid   15 and name  HB2) 2.609 0.851 0.851 weight 1.000 ! spec=Expt_41, no=843, id=1265, vol=3.032120e+07
assign (segid "   A" and resid   10 and name   HA) (segid "   A" and resid   10 and name  HB2) 2.598 0.843 0.843 weight 1.000 ! spec=Expt_41, no=851, id=1271, vol=3.537369e+07
assign (segid "   A" and resid   23 and name   HN) (segid "   A" and resid   20 and name   HA) 3.382 1.430 1.430 weight 1.000 ! spec=Expt_41, no=853, id=1273, vol=7.952244e+06
assign (segid "   A" and resid   26 and name  HB1) (segid "   A" and resid   27 and name   HN) 3.813 1.817 1.817 weight 1.000 ! spec=Expt_41, no=855, id=1274, vol=9.390240e+06
assign (segid "   A" and resid    2 and name  HB2) (segid "   A" and resid    2 and name   HA) 2.556 0.817 0.817 weight 1.000 ! spec=Expt_41, no=857, id=1275, vol=2.443996e+07
assign (segid "   A" and resid   28 and name   HN) (segid "   A" and resid   25 and name   HA) 3.130 1.225 1.225 weight 1.000 ! spec=Expt_41, no=865, id=1280, vol=1.427119e+07
assign (segid "   A" and resid    8 and name  HD1) (segid "   A" and resid    8 and name  HG1) 3.652 1.667 1.667 weight 1.000 ! spec=Expt_41, no=866, id=1281, vol=6.699110e+06
assign (segid "   A" and resid    9 and name   HN) (segid "   A" and resid    8 and name  HB1) 3.342 1.397 1.397 weight 1.000 ! spec=Expt_41, no=867, id=1282, vol=8.264299e+06
assign (segid "   A" and resid    9 and name   HN) (segid "   A" and resid   12 and name  HB1) 3.991 1.119 1.119 weight 1.000 ! spec=Expt_41, no=868, id=1283, vol=9.655450e+06
    or (segid "   A" and resid    9 and name   HN) (segid "   A" and resid   12 and name  HB2)
    or (segid "   A" and resid    9 and name   HN) (segid "   A" and resid   12 and name  HB3)
assign (segid "   A" and resid    9 and name   HN) (segid "   A" and resid    8 and name  HB2) 3.609 1.628 1.628 weight 1.000 ! spec=Expt_41, no=869, id=1284, vol=1.079513e+07
assign (segid "   A" and resid   34 and name  HE1) (segid "   A" and resid    1 and name  HD1) 3.809 1.128 1.128 weight 1.000 ! spec=Expt_41, no=875, id=1290, vol=6.061456e+06
    or (segid "   A" and resid   34 and name  HE2) (segid "   A" and resid    1 and name  HD1)
assign (segid "   A" and resid   21 and name HE22) (segid "   A" and resid   17 and name HD21) 4.077 0.811 0.811 weight 1.000 ! spec=Expt_41, no=876, id=1291, vol=8.511145e+06
    or (segid "   A" and resid   21 and name HE22) (segid "   A" and resid   17 and name HD22)
    or (segid "   A" and resid   21 and name HE22) (segid "   A" and resid   17 and name HD23)

# Restraints file 3: PATyr_diheds_040716.tbl
 ASSIGN  (segid "   A" and resid 3    and name C   ) (segid "   A" and resid 4    and name N   )
         (segid "   A" and resid 4    and name CA  ) (segid "   A" and resid 4    and name C   )  1.00 -71.28 38.72 2

 ASSIGN  (segid "   A" and resid 4    and name N   ) (segid "   A" and resid 4    and name CA  )
         (segid "   A" and resid 4    and name C   ) (segid "   A" and resid 5    and name N   )  1.00 145.01 45.01 2

 ASSIGN  (segid "   A" and resid 5    and name C   ) (segid "   A" and resid 6    and name N   )
         (segid "   A" and resid 6    and name CA  ) (segid "   A" and resid 6    and name C   )  1.00 -55.25 24.75 2

 ASSIGN  (segid "   A" and resid 6    and name N   ) (segid "   A" and resid 6    and name CA  )
         (segid "   A" and resid 6    and name C   ) (segid "   A" and resid 7    and name N   )  1.00 -24.98 25.02 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 -73.74 26.26 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   )  1.00 150.91 50.91 2

 ASSIGN  (segid "   A" and resid 7    and name C   ) (segid "   A" and resid 8    and name N   )
         (segid "   A" and resid 8    and name CA  ) (segid "   A" and resid 8    and name C   )  1.00 -55.60 34.40 2

! ASSIGN  (segid "   A" and resid 8    and name N   ) (segid "   A" and resid 8    and name CA  )
!         (segid "   A" and resid 8    and name C   ) (segid "   A" and resid 9    and name N   )  1.00 -33.62 16.38 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 -64.87 35.13 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 -40.44 29.56 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 -56.28 23.72 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 -42.05 27.95 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 -64.59 15.41 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 -25.40 34.60 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 -85.07 34.93 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  -5.24 34.76 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 -56.75 33.25 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 -35.23 34.77 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 -66.11 23.89 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 -34.75 35.25 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 -64.20 25.80 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 -35.68 34.32 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 -64.19 25.81 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 -36.34 23.66 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 -64.95 15.05 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 -44.89 25.11 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 -60.97 19.03 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 -46.90 23.10 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 -61.63 18.37 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 -43.89 26.11 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 -64.98 25.02 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 -36.30 23.70 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 -64.85 25.15 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 -43.47 26.53 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 -64.66 25.34 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 -40.74 29.26 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 -64.38 25.62 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 -38.81 21.19 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 -64.96 15.04 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 -44.91 25.09 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 -64.06 15.94 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 -45.02 24.98 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 -55.22 24.78 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 -44.74 15.26 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 -65.09 24.91 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 -42.15 27.85 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 -64.97 25.03 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 -40.33 19.67 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 -64.97 25.03 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 -44.80 25.20 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 -64.68 25.32 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 -41.55 28.45 2

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   ACE   0           HA1      ACE   0 -15.059  -2.157  -3.096
    2    H2   ACE   0           HA2      ACE   0 -14.432  -1.167  -4.410
    3    H3   ACE   0           HA3      ACE   0 -13.459  -1.368  -2.955
    4    HA   PRO   1           HA       PRO   1 -12.440  -3.193  -1.586
    5    HB2  PRO   1           HB2      PRO   1 -10.938  -5.555  -1.675
    6    HB3  PRO   1           HB1      PRO   1 -12.453  -5.335  -0.781
    7    HG2  PRO   1           HG2      PRO   1 -11.997  -6.581  -3.435
    8    HG3  PRO   1           HG1      PRO   1 -13.137  -7.032  -2.148
    9    HD2  PRO   1           HD2      PRO   1 -13.972  -5.738  -4.345
   10    HD3  PRO   1           HD1      PRO   1 -14.667  -5.387  -2.747
   11    HA   PRO   2           HA       PRO   2  -9.027  -1.381  -3.757
   12    HB2  PRO   2           HB2      PRO   2  -7.399  -0.991  -1.541
   13    HB3  PRO   2           HB1      PRO   2  -8.696   0.107  -2.059
   14    HG2  PRO   2           HG2      PRO   2  -8.725  -1.978   0.059
   15    HG3  PRO   2           HG1      PRO   2  -9.464  -0.364   0.046
   16    HD2  PRO   2           HD2      PRO   2 -10.931  -2.568  -0.359
   17    HD3  PRO   2           HD1      PRO   2 -11.273  -1.056  -1.224
   18    H    THR   3           HN       THR   3  -7.097  -2.008  -4.619
   19    HA   THR   3           HA       THR   3  -6.263  -4.702  -4.209
   20    HB   THR   3           HB       THR   3  -4.966  -2.488  -5.800
   21    HG1  THR   3           HG1      THR   3  -6.978  -4.396  -6.344
   22   HG21  THR   3          HG21      THR   3  -3.382  -4.264  -5.308
   23   HG22  THR   3          HG22      THR   3  -3.849  -4.326  -7.008
   24   HG23  THR   3          HG23      THR   3  -4.538  -5.474  -5.859
   25    H    LYS   4           HN       LYS   4  -4.804  -5.464  -2.875
   26    HA   LYS   4           HA       LYS   4  -3.502  -3.732  -1.003
   27    HB2  LYS   4           HB2      LYS   4  -3.234  -6.715  -1.427
   28    HB3  LYS   4           HB1      LYS   4  -2.651  -5.820  -0.027
   29    HG2  LYS   4           HG2      LYS   4  -4.969  -5.178   0.491
   30    HG3  LYS   4           HG1      LYS   4  -5.518  -6.159  -0.867
   31    HD2  LYS   4           HD2      LYS   4  -4.578  -8.150   0.189
   32    HD3  LYS   4           HD1      LYS   4  -4.000  -7.163   1.535
   33    HE2  LYS   4           HE2      LYS   4  -6.351  -6.506   1.987
   34    HE3  LYS   4           HE1      LYS   4  -6.867  -7.630   0.732
   35    HZ1  LYS   4           HZ1      LYS   4  -7.028  -8.591   2.952
   36    HZ2  LYS   4           HZ2      LYS   4  -5.367  -8.373   3.180
   37    HZ3  LYS   4           HZ3      LYS   4  -5.921  -9.440   1.994
   38    HA   PRO   5           HA       PRO   5   0.085  -2.813  -3.387
   39    HB2  PRO   5           HB2      PRO   5   1.865  -2.633  -1.240
   40    HB3  PRO   5           HB1      PRO   5   0.864  -1.311  -1.876
   41    HG2  PRO   5           HG2      PRO   5   0.410  -3.065   0.477
   42    HG3  PRO   5           HG1      PRO   5   0.026  -1.343   0.242
   43    HD2  PRO   5           HD2      PRO   5  -1.884  -3.226   0.131
   44    HD3  PRO   5           HD1      PRO   5  -1.921  -1.799  -0.936
   45    H    THR   6           HN       THR   6   0.991  -4.317  -4.547
   46    HA   THR   6           HA       THR   6   1.857  -6.834  -3.477
   47    HB   THR   6           HB       THR   6   2.297  -5.764  -6.260
   48    HG1  THR   6           HG1      THR   6   0.144  -7.446  -5.815
   49   HG21  THR   6          HG21      THR   6   2.223  -8.143  -6.880
   50   HG22  THR   6          HG22      THR   6   2.036  -8.569  -5.179
   51   HG23  THR   6          HG23      THR   6   3.524  -7.807  -5.737
   52    H    LYS   7           HN       LYS   7   3.218  -3.774  -3.959
   53    HA   LYS   7           HA       LYS   7   5.907  -4.341  -4.444
   54    HB2  LYS   7           HB2      LYS   7   4.522  -2.077  -3.033
   55    HB3  LYS   7           HB1      LYS   7   6.270  -2.138  -3.152
   56    HG2  LYS   7           HG2      LYS   7   6.115  -2.136  -5.588
   57    HG3  LYS   7           HG1      LYS   7   4.355  -2.089  -5.482
   58    HD2  LYS   7           HD2      LYS   7   6.111   0.005  -4.219
   59    HD3  LYS   7           HD1      LYS   7   5.545   0.128  -5.886
   60    HE2  LYS   7           HE2      LYS   7   3.701  -0.241  -3.535
   61    HE3  LYS   7           HE1      LYS   7   4.162   1.342  -4.158
   62    HZ1  LYS   7           HZ1      LYS   7   3.194   0.786  -6.272
   63    HZ2  LYS   7           HZ2      LYS   7   2.038   0.552  -5.058
   64    HZ3  LYS   7           HZ3      LYS   7   2.824  -0.778  -5.749
   65    HA   PRO   8           HA       PRO   8   7.453  -6.292  -0.741
   66    HB2  PRO   8           HB2      PRO   8   9.820  -4.573  -1.240
   67    HB3  PRO   8           HB1      PRO   8   9.727  -6.330  -1.031
   68    HG2  PRO   8           HG2      PRO   8  10.144  -5.213  -3.419
   69    HG3  PRO   8           HG1      PRO   8   9.214  -6.713  -3.218
   70    HD2  PRO   8           HD2      PRO   8   8.250  -3.972  -3.842
   71    HD3  PRO   8           HD1      PRO   8   7.551  -5.547  -4.274
   72    H    GLY   9           HN       GLY   9   6.822  -5.676   1.199
   73    HA2  GLY   9           HA2      GLY   9   7.352  -2.903   2.052
   74    HA3  GLY   9           HA1      GLY   9   5.974  -3.848   2.600
   75    H    ASP  10           HN       ASP  10   8.403  -5.972   2.420
   76    HA   ASP  10           HA       ASP  10   9.056  -5.651   5.262
   77    HB2  ASP  10           HB2      ASP  10   9.210  -8.098   3.490
   78    HB3  ASP  10           HB1      ASP  10   9.707  -8.054   5.174
   79    H    ASN  11           HN       ASN  11  10.604  -6.912   2.325
   80    HA   ASN  11           HA       ASN  11  13.149  -5.805   3.294
   81    HB2  ASN  11           HB2      ASN  11  13.222  -8.226   3.174
   82    HB3  ASN  11           HB1      ASN  11  12.641  -8.195   1.514
   83   HD21  ASN  11          HD21      ASN  11  15.348  -7.493   3.612
   84   HD22  ASN  11          HD22      ASN  11  16.546  -7.446   2.366
   85    H    ALA  12           HN       ALA  12  13.335  -3.888   2.334
   86    HA   ALA  12           HA       ALA  12  13.857  -3.722  -0.450
   87    HB1  ALA  12           HB1      ALA  12  11.411  -3.711  -0.574
   88    HB2  ALA  12           HB2      ALA  12  12.082  -2.153  -1.053
   89    HB3  ALA  12           HB3      ALA  12  11.358  -2.346   0.543
   90    H    THR  13           HN       THR  13  14.384  -1.427  -1.052
   91    HA   THR  13           HA       THR  13  16.026  -0.245   0.926
   92    HB   THR  13           HB       THR  13  16.285   1.600  -0.734
   93    HG1  THR  13           HG1      THR  13  15.058   0.279  -2.777
   94   HG21  THR  13          HG21      THR  13  16.577  -1.207  -1.795
   95   HG22  THR  13          HG22      THR  13  17.745  -0.340  -0.799
   96   HG23  THR  13          HG23      THR  13  17.397   0.218  -2.434
   97    HA   PRO  14           HA       PRO  14  13.383   2.397   3.217
   98    HB2  PRO  14           HB2      PRO  14  14.908   4.740   3.159
   99    HB3  PRO  14           HB1      PRO  14  15.098   3.421   4.325
  100    HG2  PRO  14           HG2      PRO  14  16.649   4.019   1.879
  101    HG3  PRO  14           HG1      PRO  14  17.187   3.354   3.442
  102    HD2  PRO  14           HD2      PRO  14  16.892   1.773   1.294
  103    HD3  PRO  14           HD1      PRO  14  16.494   1.200   2.924
  104    H    GLU  15           HN       GLU  15  14.749   3.753   0.245
  105    HA   GLU  15           HA       GLU  15  12.812   5.781  -0.104
  106    HB2  GLU  15           HB2      GLU  15  14.969   5.796  -1.275
  107    HB3  GLU  15           HB1      GLU  15  14.498   4.357  -2.171
  108    HG2  GLU  15           HG2      GLU  15  12.606   5.651  -3.141
  109    HG3  GLU  15           HG1      GLU  15  13.242   7.085  -2.341
  110    H    LYS  16           HN       LYS  16  13.052   2.452  -1.225
  111    HA   LYS  16           HA       LYS  16  10.730   2.588  -2.880
  112    HB2  LYS  16           HB2      LYS  16  12.755   1.004  -3.085
  113    HB3  LYS  16           HB1      LYS  16  11.978   0.067  -1.815
  114    HG2  LYS  16           HG2      LYS  16   9.956  -0.068  -3.290
  115    HG3  LYS  16           HG1      LYS  16  10.934   0.649  -4.570
  116    HD2  LYS  16           HD2      LYS  16  12.540  -1.205  -4.345
  117    HD3  LYS  16           HD1      LYS  16  11.500  -1.934  -3.121
  118    HE2  LYS  16           HE2      LYS  16  10.860  -1.465  -6.025
  119    HE3  LYS  16           HE1      LYS  16  11.090  -3.014  -5.217
  120    HZ1  LYS  16           HZ1      LYS  16   9.126  -2.402  -3.817
  121    HZ2  LYS  16           HZ2      LYS  16   8.783  -2.691  -5.448
  122    HZ3  LYS  16           HZ3      LYS  16   8.855  -1.104  -4.867
  123    H    LEU  17           HN       LEU  17  11.450   1.528   0.394
  124    HA   LEU  17           HA       LEU  17   8.934   0.454   1.020
  125    HB2  LEU  17           HB2      LEU  17  11.038   1.762   2.718
  126    HB3  LEU  17           HB1      LEU  17   9.569   1.096   3.398
  127    HG   LEU  17           HG       LEU  17  11.672  -0.448   1.878
  128   HD11  LEU  17          HD11      LEU  17  12.125  -1.489   4.041
  129   HD12  LEU  17          HD12      LEU  17  10.951  -0.416   4.804
  130   HD13  LEU  17          HD13      LEU  17  12.417   0.249   4.086
  131   HD21  LEU  17          HD21      LEU  17   9.115  -1.335   3.207
  132   HD22  LEU  17          HD22      LEU  17  10.378  -2.423   2.630
  133   HD23  LEU  17          HD23      LEU  17   9.499  -1.409   1.488
  134    H    ALA  18           HN       ALA  18  10.144   3.753   1.005
  135    HA   ALA  18           HA       ALA  18   7.942   4.968   2.255
  136    HB1  ALA  18           HB1      ALA  18   9.768   6.123   0.158
  137    HB2  ALA  18           HB2      ALA  18  10.074   6.112   1.896
  138    HB3  ALA  18           HB3      ALA  18   8.720   7.036   1.243
  139    H    LYS  19           HN       LYS  19   8.614   4.121  -1.097
  140    HA   LYS  19           HA       LYS  19   6.271   5.221  -2.218
  141    HB2  LYS  19           HB2      LYS  19   8.247   4.501  -3.537
  142    HB3  LYS  19           HB1      LYS  19   7.865   2.828  -3.161
  143    HG2  LYS  19           HG2      LYS  19   7.118   3.373  -5.390
  144    HG3  LYS  19           HG1      LYS  19   5.728   3.062  -4.350
  145    HD2  LYS  19           HD2      LYS  19   5.380   5.461  -4.081
  146    HD3  LYS  19           HD1      LYS  19   6.792   5.789  -5.085
  147    HE2  LYS  19           HE2      LYS  19   4.290   4.361  -5.971
  148    HE3  LYS  19           HE1      LYS  19   4.701   6.032  -6.339
  149    HZ1  LYS  19           HZ1      LYS  19   6.131   3.596  -7.246
  150    HZ2  LYS  19           HZ2      LYS  19   6.714   5.165  -7.472
  151    HZ3  LYS  19           HZ3      LYS  19   5.266   4.691  -8.202
  152    H    TYR  20           HN       TYR  20   7.016   2.078  -0.809
  153    HA   TYR  20           HA       TYR  20   4.534   0.840  -1.247
  154    HB2  TYR  20           HB2      TYR  20   6.452  -0.451  -0.524
  155    HB3  TYR  20           HB1      TYR  20   6.561   0.473   0.971
  156    HD1  TYR  20           HD1      TYR  20   4.507  -1.998  -0.871
  157    HD2  TYR  20           HD2      TYR  20   5.280  -0.129   2.873
  158    HE1  TYR  20           HE1      TYR  20   3.056  -3.639   0.247
  159    HE2  TYR  20           HE2      TYR  20   3.831  -1.765   3.998
  160    HH   TYR  20           HH       TYR  20   1.982  -3.263   3.462
  161    H    GLN  21           HN       GLN  21   5.725   2.876   1.374
  162    HA   GLN  21           HA       GLN  21   3.452   2.730   3.026
  163    HB2  GLN  21           HB2      GLN  21   5.561   4.875   2.743
  164    HB3  GLN  21           HB1      GLN  21   4.357   4.842   4.022
  165    HG2  GLN  21           HG2      GLN  21   5.258   2.889   4.968
  166    HG3  GLN  21           HG1      GLN  21   6.235   2.555   3.541
  167   HE21  GLN  21          HE21      GLN  21   8.133   2.440   4.731
  168   HE22  GLN  21          HE22      GLN  21   8.894   3.843   5.394
  169    H    ALA  22           HN       ALA  22   4.257   4.793   0.302
  170    HA   ALA  22           HA       ALA  22   2.077   6.587   0.584
  171    HB1  ALA  22           HB1      ALA  22   3.651   5.836  -1.879
  172    HB2  ALA  22           HB2      ALA  22   4.042   7.136  -0.756
  173    HB3  ALA  22           HB3      ALA  22   2.576   7.227  -1.731
  174    H    ASP  23           HN       ASP  23   2.556   3.560  -1.124
  175    HA   ASP  23           HA       ASP  23   0.038   3.538  -2.453
  176    HB2  ASP  23           HB2      ASP  23   2.094   2.177  -3.074
  177    HB3  ASP  23           HB1      ASP  23   1.718   1.133  -1.704
  178    H    LEU  24           HN       LEU  24   1.280   2.108   0.524
  179    HA   LEU  24           HA       LEU  24  -1.062   0.783   1.321
  180    HB2  LEU  24           HB2      LEU  24   1.298   0.488   2.206
  181    HB3  LEU  24           HB1      LEU  24   1.058   1.960   3.120
  182    HG   LEU  24           HG       LEU  24   0.765  -0.300   4.315
  183   HD11  LEU  24          HD11      LEU  24   0.199   1.799   5.351
  184   HD12  LEU  24          HD12      LEU  24  -1.043   0.600   5.717
  185   HD13  LEU  24          HD13      LEU  24  -1.342   1.838   4.497
  186   HD21  LEU  24          HD21      LEU  24  -1.457  -1.272   4.190
  187   HD22  LEU  24          HD22      LEU  24  -0.668  -1.328   2.613
  188   HD23  LEU  24          HD23      LEU  24  -1.908  -0.119   2.937
  189    H    ALA  25           HN       ALA  25   0.063   4.087   1.756
  190    HA   ALA  25           HA       ALA  25  -1.929   5.007   3.497
  191    HB1  ALA  25           HB1      ALA  25  -0.548   6.524   1.290
  192    HB2  ALA  25           HB2      ALA  25   0.089   6.281   2.916
  193    HB3  ALA  25           HB3      ALA  25  -1.382   7.226   2.677
  194    H    LYS  26           HN       LYS  26  -1.794   4.995  -0.052
  195    HA   LYS  26           HA       LYS  26  -4.358   5.992  -0.556
  196    HB2  LYS  26           HB2      LYS  26  -2.648   5.711  -2.309
  197    HB3  LYS  26           HB1      LYS  26  -2.777   3.968  -2.155
  198    HG2  LYS  26           HG2      LYS  26  -5.243   4.269  -2.753
  199    HG3  LYS  26           HG1      LYS  26  -4.789   5.896  -3.261
  200    HD2  LYS  26           HD2      LYS  26  -4.751   4.454  -5.182
  201    HD3  LYS  26           HD1      LYS  26  -3.091   4.886  -4.770
  202    HE2  LYS  26           HE2      LYS  26  -2.777   2.745  -3.671
  203    HE3  LYS  26           HE1      LYS  26  -4.460   2.318  -3.975
  204    HZ1  LYS  26           HZ1      LYS  26  -2.380   2.772  -6.047
  205    HZ2  LYS  26           HZ2      LYS  26  -3.998   2.389  -6.351
  206    HZ3  LYS  26           HZ3      LYS  26  -2.998   1.272  -5.569
  207    H    TYR  27           HN       TYR  27  -3.195   2.717   0.004
  208    HA   TYR  27           HA       TYR  27  -5.570   1.336  -0.513
  209    HB2  TYR  27           HB2      TYR  27  -3.435   0.177  -0.300
  210    HB3  TYR  27           HB1      TYR  27  -3.321   0.652   1.387
  211    HD1  TYR  27           HD1      TYR  27  -5.214  -1.453  -0.998
  212    HD2  TYR  27           HD2      TYR  27  -4.384  -0.607   3.087
  213    HE1  TYR  27           HE1      TYR  27  -6.363  -3.522  -0.341
  214    HE2  TYR  27           HE2      TYR  27  -5.531  -2.670   3.753
  215    HH   TYR  27           HH       TYR  27  -6.558  -5.043   1.417
  216    H    GLN  28           HN       GLN  28  -4.327   2.715   2.519
  217    HA   GLN  28           HA       GLN  28  -6.428   1.835   4.165
  218    HB2  GLN  28           HB2      GLN  28  -4.645   4.265   4.408
  219    HB3  GLN  28           HB1      GLN  28  -5.768   3.750   5.658
  220    HG2  GLN  28           HG2      GLN  28  -4.558   1.591   5.799
  221    HG3  GLN  28           HG1      GLN  28  -3.392   2.209   4.630
  222   HE21  GLN  28          HE21      GLN  28  -1.968   3.831   5.249
  223   HE22  GLN  28          HE22      GLN  28  -1.686   4.225   6.906
  224    H    LYS  29           HN       LYS  29  -6.041   4.754   2.229
  225    HA   LYS  29           HA       LYS  29  -8.373   6.067   3.094
  226    HB2  LYS  29           HB2      LYS  29  -6.603   7.238   1.901
  227    HB3  LYS  29           HB1      LYS  29  -6.892   6.262   0.466
  228    HG2  LYS  29           HG2      LYS  29  -9.099   7.245   0.217
  229    HG3  LYS  29           HG1      LYS  29  -8.858   8.189   1.690
  230    HD2  LYS  29           HD2      LYS  29  -6.996   9.362   0.658
  231    HD3  LYS  29           HD1      LYS  29  -7.163   8.381  -0.799
  232    HE2  LYS  29           HE2      LYS  29  -9.344   9.316  -1.230
  233    HE3  LYS  29           HE1      LYS  29  -9.305  10.198   0.295
  234    HZ1  LYS  29           HZ1      LYS  29  -7.413  11.457  -0.538
  235    HZ2  LYS  29           HZ2      LYS  29  -8.760  11.644  -1.539
  236    HZ3  LYS  29           HZ3      LYS  29  -7.492  10.635  -2.015
  237    H    ASP  30           HN       ASP  30  -7.773   4.055   0.223
  238    HA   ASP  30           HA       ASP  30 -10.451   4.141  -0.704
  239    HB2  ASP  30           HB2      ASP  30  -8.305   3.490  -1.992
  240    HB3  ASP  30           HB1      ASP  30  -8.552   1.885  -1.307
  241    H    LEU  31           HN       LEU  31  -8.721   2.071   1.500
  242    HA   LEU  31           HA       LEU  31 -10.627   0.009   1.763
  243    HB2  LEU  31           HB2      LEU  31  -8.251  -0.071   2.564
  244    HB3  LEU  31           HB1      LEU  31  -8.705   1.013   3.862
  245    HG   LEU  31           HG       LEU  31 -10.299  -0.712   4.687
  246   HD11  LEU  31          HD11      LEU  31  -9.984  -3.028   3.872
  247   HD12  LEU  31          HD12      LEU  31  -8.995  -2.398   2.554
  248   HD13  LEU  31          HD13      LEU  31 -10.699  -1.959   2.667
  249   HD21  LEU  31          HD21      LEU  31  -8.551  -2.179   5.611
  250   HD22  LEU  31          HD22      LEU  31  -8.112  -0.472   5.686
  251   HD23  LEU  31          HD23      LEU  31  -7.404  -1.511   4.448
  252    H    ALA  32           HN       ALA  32 -10.110   3.007   3.570
  253    HA   ALA  32           HA       ALA  32 -12.200   2.704   5.416
  254    HB1  ALA  32           HB1      ALA  32 -12.014   5.107   5.742
  255    HB2  ALA  32           HB2      ALA  32 -11.069   5.243   4.259
  256    HB3  ALA  32           HB3      ALA  32 -10.418   4.364   5.642
  257    H    ASP  33           HN       ASP  33 -12.080   3.948   2.162
  258    HA   ASP  33           HA       ASP  33 -14.766   4.901   2.080
  259    HB2  ASP  33           HB2      ASP  33 -13.083   5.784   0.558
  260    HB3  ASP  33           HB1      ASP  33 -12.823   4.184  -0.128
  261    H    TYR  34           HN       TYR  34 -13.260   1.847   1.718
  262    HA   TYR  34           HA       TYR  34 -15.309   0.548   0.203
  263    HB2  TYR  34           HB2      TYR  34 -13.040  -0.279   0.128
  264    HB3  TYR  34           HB1      TYR  34 -13.014  -0.493   1.871
  265    HD1  TYR  34           HD1      TYR  34 -15.068  -1.618  -1.043
  266    HD2  TYR  34           HD2      TYR  34 -13.195  -2.649   2.630
  267    HE1  TYR  34           HE1      TYR  34 -15.760  -3.951  -1.351
  268    HE2  TYR  34           HE2      TYR  34 -13.888  -4.984   2.336
  269    HH   TYR  34           HH       TYR  34 -15.571  -6.272   1.144
  270    HN1  NH2  35           HN1      NH2  35 -17.151  -0.278   0.903
  271    HN2  NH2  35           HN2      NH2  35 -17.589  -0.550   2.553
  Start of MODEL    2
    1    H1   ACE   0           HA1      ACE   0 -13.095   0.195  -4.066
    2    H2   ACE   0           HA2      ACE   0 -14.419  -0.964  -3.998
    3    H3   ACE   0           HA3      ACE   0 -14.252   0.058  -5.423
    4    HA   PRO   1           HA       PRO   1 -12.711  -2.431  -2.638
    5    HB2  PRO   1           HB2      PRO   1 -11.511  -4.919  -2.785
    6    HB3  PRO   1           HB1      PRO   1 -13.254  -4.664  -2.577
    7    HG2  PRO   1           HG2      PRO   1 -11.721  -5.291  -5.046
    8    HG3  PRO   1           HG1      PRO   1 -13.298  -5.902  -4.506
    9    HD2  PRO   1           HD2      PRO   1 -13.116  -3.993  -6.386
   10    HD3  PRO   1           HD1      PRO   1 -14.424  -3.990  -5.186
   11    HA   PRO   2           HA       PRO   2  -8.590  -0.898  -2.814
   12    HB2  PRO   2           HB2      PRO   2  -7.756  -1.476  -0.266
   13    HB3  PRO   2           HB1      PRO   2  -8.851  -0.133  -0.658
   14    HG2  PRO   2           HG2      PRO   2  -9.505  -2.860   0.349
   15    HG3  PRO   2           HG1      PRO   2 -10.147  -1.289   0.861
   16    HD2  PRO   2           HD2      PRO   2 -11.546  -2.863  -0.784
   17    HD3  PRO   2           HD1      PRO   2 -11.540  -1.100  -0.993
   18    H    THR   3           HN       THR   3  -6.628  -1.635  -3.409
   19    HA   THR   3           HA       THR   3  -6.149  -4.513  -3.177
   20    HB   THR   3           HB       THR   3  -4.892  -2.492  -5.038
   21    HG1  THR   3           HG1      THR   3  -6.464  -4.590  -5.984
   22   HG21  THR   3          HG21      THR   3  -4.643  -5.500  -4.936
   23   HG22  THR   3          HG22      THR   3  -3.373  -4.337  -4.559
   24   HG23  THR   3          HG23      THR   3  -3.991  -4.464  -6.205
   25    H    LYS   4           HN       LYS   4  -4.586  -5.264  -1.925
   26    HA   LYS   4           HA       LYS   4  -3.040  -3.550  -0.276
   27    HB2  LYS   4           HB2      LYS   4  -2.724  -6.506  -0.829
   28    HB3  LYS   4           HB1      LYS   4  -1.918  -5.628   0.467
   29    HG2  LYS   4           HG2      LYS   4  -4.146  -5.088   1.411
   30    HG3  LYS   4           HG1      LYS   4  -4.874  -6.107   0.167
   31    HD2  LYS   4           HD2      LYS   4  -2.894  -6.990   2.263
   32    HD3  LYS   4           HD1      LYS   4  -4.626  -7.325   2.267
   33    HE2  LYS   4           HE2      LYS   4  -4.383  -8.602   0.193
   34    HE3  LYS   4           HE1      LYS   4  -2.655  -8.259   0.179
   35    HZ1  LYS   4           HZ1      LYS   4  -4.082  -9.774   2.295
   36    HZ2  LYS   4           HZ2      LYS   4  -2.420  -9.473   2.239
   37    HZ3  LYS   4           HZ3      LYS   4  -3.138 -10.458   1.069
   38    HA   PRO   5           HA       PRO   5   0.375  -2.722  -2.937
   39    HB2  PRO   5           HB2      PRO   5   2.175  -2.997  -0.613
   40    HB3  PRO   5           HB1      PRO   5   1.870  -1.586  -1.647
   41    HG2  PRO   5           HG2      PRO   5   0.976  -1.681   0.855
   42    HG3  PRO   5           HG1      PRO   5   0.042  -0.914  -0.453
   43    HD2  PRO   5           HD2      PRO   5  -0.350  -3.598   0.818
   44    HD3  PRO   5           HD1      PRO   5  -1.564  -2.403   0.300
   45    H    THR   6           HN       THR   6   0.838  -4.315  -4.280
   46    HA   THR   6           HA       THR   6   1.921  -6.844  -3.446
   47    HB   THR   6           HB       THR   6   1.849  -5.750  -6.251
   48    HG1  THR   6           HG1      THR   6  -0.237  -6.567  -4.562
   49   HG21  THR   6          HG21      THR   6   1.550  -8.112  -6.854
   50   HG22  THR   6          HG22      THR   6   1.612  -8.553  -5.148
   51   HG23  THR   6          HG23      THR   6   3.035  -7.871  -5.934
   52    H    LYS   7           HN       LYS   7   3.116  -3.826  -3.760
   53    HA   LYS   7           HA       LYS   7   5.683  -4.240  -4.889
   54    HB2  LYS   7           HB2      LYS   7   4.769  -2.104  -2.946
   55    HB3  LYS   7           HB1      LYS   7   6.162  -2.017  -4.015
   56    HG2  LYS   7           HG2      LYS   7   4.782  -1.900  -5.950
   57    HG3  LYS   7           HG1      LYS   7   3.335  -2.295  -5.014
   58    HD2  LYS   7           HD2      LYS   7   3.626  -0.167  -3.762
   59    HD3  LYS   7           HD1      LYS   7   4.989   0.229  -4.813
   60    HE2  LYS   7           HE2      LYS   7   2.940   1.337  -5.558
   61    HE3  LYS   7           HE1      LYS   7   3.515   0.182  -6.758
   62    HZ1  LYS   7           HZ1      LYS   7   1.315  -0.301  -4.810
   63    HZ2  LYS   7           HZ2      LYS   7   1.865  -1.401  -5.975
   64    HZ3  LYS   7           HZ3      LYS   7   1.124   0.033  -6.461
   65    HA   PRO   8           HA       PRO   8   7.937  -6.116  -1.570
   66    HB2  PRO   8           HB2      PRO   8  10.219  -4.552  -1.512
   67    HB3  PRO   8           HB1      PRO   8   9.940  -5.889  -2.644
   68    HG2  PRO   8           HG2      PRO   8   9.618  -2.966  -3.058
   69    HG3  PRO   8           HG1      PRO   8  10.250  -4.201  -4.167
   70    HD2  PRO   8           HD2      PRO   8   7.757  -3.222  -4.435
   71    HD3  PRO   8           HD1      PRO   8   8.130  -4.928  -4.780
   72    H    GLY   9           HN       GLY   9   7.690  -5.950   0.543
   73    HA2  GLY   9           HA2      GLY   9   7.845  -3.308   1.810
   74    HA3  GLY   9           HA1      GLY   9   6.397  -4.276   2.028
   75    H    ASP  10           HN       ASP  10   8.156  -6.748   2.021
   76    HA   ASP  10           HA       ASP  10   8.467  -6.909   4.849
   77    HB2  ASP  10           HB2      ASP  10   9.495  -8.794   2.713
   78    HB3  ASP  10           HB1      ASP  10   9.405  -9.146   4.433
   79    H    ASN  11           HN       ASN  11  10.731  -6.863   2.140
   80    HA   ASN  11           HA       ASN  11  12.678  -5.496   3.819
   81    HB2  ASN  11           HB2      ASN  11  13.226  -7.935   3.938
   82    HB3  ASN  11           HB1      ASN  11  13.428  -7.928   2.188
   83   HD21  ASN  11          HD21      ASN  11  15.596  -8.474   2.252
   84   HD22  ASN  11          HD22      ASN  11  16.813  -7.385   2.819
   85    H    ALA  12           HN       ALA  12  13.189  -3.717   2.716
   86    HA   ALA  12           HA       ALA  12  13.869  -3.804  -0.071
   87    HB1  ALA  12           HB1      ALA  12  12.138  -2.336  -0.877
   88    HB2  ALA  12           HB2      ALA  12  11.436  -2.217   0.736
   89    HB3  ALA  12           HB3      ALA  12  11.390  -3.750  -0.134
   90    H    THR  13           HN       THR  13  14.367  -1.566  -0.873
   91    HA   THR  13           HA       THR  13  16.051  -0.200   0.947
   92    HB   THR  13           HB       THR  13  16.295   1.470  -0.873
   93    HG1  THR  13           HG1      THR  13  14.455  -0.186  -2.291
   94   HG21  THR  13          HG21      THR  13  17.292  -0.046  -2.511
   95   HG22  THR  13          HG22      THR  13  16.421  -1.401  -1.790
   96   HG23  THR  13          HG23      THR  13  17.662  -0.558  -0.865
   97    HA   PRO  14           HA       PRO  14  13.390   2.589   3.026
   98    HB2  PRO  14           HB2      PRO  14  14.874   4.932   2.844
   99    HB3  PRO  14           HB1      PRO  14  15.132   3.661   4.052
  100    HG2  PRO  14           HG2      PRO  14  16.583   4.188   1.523
  101    HG3  PRO  14           HG1      PRO  14  17.201   3.640   3.101
  102    HD2  PRO  14           HD2      PRO  14  16.886   1.922   1.062
  103    HD3  PRO  14           HD1      PRO  14  16.574   1.437   2.740
  104    H    GLU  15           HN       GLU  15  14.734   3.719  -0.053
  105    HA   GLU  15           HA       GLU  15  12.797   5.724  -0.514
  106    HB2  GLU  15           HB2      GLU  15  14.957   5.619  -1.703
  107    HB3  GLU  15           HB1      GLU  15  14.416   4.161  -2.529
  108    HG2  GLU  15           HG2      GLU  15  12.604   5.431  -3.583
  109    HG3  GLU  15           HG1      GLU  15  13.152   6.886  -2.752
  110    H    LYS  16           HN       LYS  16  12.985   2.311  -1.343
  111    HA   LYS  16           HA       LYS  16  10.628   2.296  -2.947
  112    HB2  LYS  16           HB2      LYS  16  12.515   0.624  -3.097
  113    HB3  LYS  16           HB1      LYS  16  11.948  -0.051  -1.575
  114    HG2  LYS  16           HG2      LYS  16  11.115  -1.401  -3.352
  115    HG3  LYS  16           HG1      LYS  16   9.757  -0.502  -2.669
  116    HD2  LYS  16           HD2      LYS  16   9.880   1.108  -4.488
  117    HD3  LYS  16           HD1      LYS  16  11.287   0.275  -5.153
  118    HE2  LYS  16           HE2      LYS  16   9.899  -1.745  -5.456
  119    HE3  LYS  16           HE1      LYS  16   8.499  -0.841  -4.881
  120    HZ1  LYS  16           HZ1      LYS  16   8.581  -0.917  -7.292
  121    HZ2  LYS  16           HZ2      LYS  16  10.105  -0.186  -7.293
  122    HZ3  LYS  16           HZ3      LYS  16   8.756   0.673  -6.744
  123    H    LEU  17           HN       LEU  17  11.395   1.480   0.400
  124    HA   LEU  17           HA       LEU  17   8.875   0.543   1.161
  125    HB2  LEU  17           HB2      LEU  17  11.060   1.883   2.725
  126    HB3  LEU  17           HB1      LEU  17   9.601   1.280   3.477
  127    HG   LEU  17           HG       LEU  17  11.631  -0.373   1.978
  128   HD11  LEU  17          HD11      LEU  17  10.981  -0.168   4.911
  129   HD12  LEU  17          HD12      LEU  17  12.452   0.396   4.121
  130   HD13  LEU  17          HD13      LEU  17  12.094  -1.328   4.188
  131   HD21  LEU  17          HD21      LEU  17  10.321  -2.286   2.862
  132   HD22  LEU  17          HD22      LEU  17   9.442  -1.321   1.679
  133   HD23  LEU  17          HD23      LEU  17   9.086  -1.146   3.398
  134    H    ALA  18           HN       ALA  18  10.129   3.802   0.853
  135    HA   ALA  18           HA       ALA  18   8.053   5.145   2.179
  136    HB1  ALA  18           HB1      ALA  18   9.708   6.120  -0.138
  137    HB2  ALA  18           HB2      ALA  18  10.170   6.209   1.562
  138    HB3  ALA  18           HB3      ALA  18   8.779   7.121   0.977
  139    H    LYS  19           HN       LYS  19   8.458   4.180  -1.201
  140    HA   LYS  19           HA       LYS  19   5.984   5.198  -2.111
  141    HB2  LYS  19           HB2      LYS  19   7.786   4.591  -3.653
  142    HB3  LYS  19           HB1      LYS  19   7.652   2.909  -3.172
  143    HG2  LYS  19           HG2      LYS  19   6.585   3.275  -5.316
  144    HG3  LYS  19           HG1      LYS  19   5.394   2.815  -4.101
  145    HD2  LYS  19           HD2      LYS  19   4.518   4.608  -5.470
  146    HD3  LYS  19           HD1      LYS  19   4.795   5.193  -3.829
  147    HE2  LYS  19           HE2      LYS  19   5.543   6.839  -5.442
  148    HE3  LYS  19           HE1      LYS  19   6.921   6.186  -4.563
  149    HZ1  LYS  19           HZ1      LYS  19   6.063   5.427  -7.301
  150    HZ2  LYS  19           HZ2      LYS  19   7.344   4.712  -6.461
  151    HZ3  LYS  19           HZ3      LYS  19   7.423   6.345  -6.894
  152    H    TYR  20           HN       TYR  20   6.987   2.150  -0.708
  153    HA   TYR  20           HA       TYR  20   4.592   0.721  -1.017
  154    HB2  TYR  20           HB2      TYR  20   6.731  -0.311  -0.363
  155    HB3  TYR  20           HB1      TYR  20   6.670   0.537   1.178
  156    HD1  TYR  20           HD1      TYR  20   5.133  -2.141  -0.835
  157    HD2  TYR  20           HD2      TYR  20   5.337  -0.280   2.986
  158    HE1  TYR  20           HE1      TYR  20   3.901  -4.029   0.142
  159    HE2  TYR  20           HE2      TYR  20   4.108  -2.169   3.974
  160    HH   TYR  20           HH       TYR  20   2.625  -3.936   3.331
  161    H    GLN  21           HN       GLN  21   5.756   2.820   1.596
  162    HA   GLN  21           HA       GLN  21   3.473   2.577   3.245
  163    HB2  GLN  21           HB2      GLN  21   5.517   4.792   3.043
  164    HB3  GLN  21           HB1      GLN  21   4.314   4.662   4.316
  165    HG2  GLN  21           HG2      GLN  21   5.278   2.588   5.077
  166    HG3  GLN  21           HG1      GLN  21   6.421   2.594   3.735
  167   HE21  GLN  21          HE21      GLN  21   8.206   2.568   5.078
  168   HE22  GLN  21          HE22      GLN  21   8.691   3.943   6.007
  169    H    ALA  22           HN       ALA  22   4.320   4.798   0.644
  170    HA   ALA  22           HA       ALA  22   2.108   6.520   0.908
  171    HB1  ALA  22           HB1      ALA  22   3.658   5.833  -1.586
  172    HB2  ALA  22           HB2      ALA  22   4.118   7.058  -0.405
  173    HB3  ALA  22           HB3      ALA  22   2.638   7.252  -1.347
  174    H    ASP  23           HN       ASP  23   2.619   3.546  -0.899
  175    HA   ASP  23           HA       ASP  23   0.058   3.597  -2.175
  176    HB2  ASP  23           HB2      ASP  23   2.078   2.398  -3.071
  177    HB3  ASP  23           HB1      ASP  23   1.893   1.221  -1.769
  178    H    LEU  24           HN       LEU  24   1.382   2.227   0.749
  179    HA   LEU  24           HA       LEU  24  -0.838   0.664   1.530
  180    HB2  LEU  24           HB2      LEU  24   1.475   0.578   2.519
  181    HB3  LEU  24           HB1      LEU  24   1.152   2.114   3.292
  182    HG   LEU  24           HG       LEU  24   0.963  -0.017   4.697
  183   HD11  LEU  24          HD11      LEU  24  -1.331   1.932   4.647
  184   HD12  LEU  24          HD12      LEU  24   0.213   2.160   5.470
  185   HD13  LEU  24          HD13      LEU  24  -0.889   0.888   5.999
  186   HD21  LEU  24          HD21      LEU  24  -1.170  -1.168   4.626
  187   HD22  LEU  24          HD22      LEU  24  -0.346  -1.305   3.072
  188   HD23  LEU  24          HD23      LEU  24  -1.681  -0.173   3.265
  189    H    ALA  25           HN       ALA  25   0.032   4.054   2.065
  190    HA   ALA  25           HA       ALA  25  -2.172   4.792   3.632
  191    HB1  ALA  25           HB1      ALA  25  -0.642   6.469   1.651
  192    HB2  ALA  25           HB2      ALA  25  -0.190   6.194   3.333
  193    HB3  ALA  25           HB3      ALA  25  -1.670   7.073   2.951
  194    H    LYS  26           HN       LYS  26  -1.720   4.713   0.128
  195    HA   LYS  26           HA       LYS  26  -4.223   5.748  -0.606
  196    HB2  LYS  26           HB2      LYS  26  -2.364   5.500  -2.188
  197    HB3  LYS  26           HB1      LYS  26  -2.482   3.753  -2.067
  198    HG2  LYS  26           HG2      LYS  26  -4.677   3.788  -3.076
  199    HG3  LYS  26           HG1      LYS  26  -4.653   5.550  -3.117
  200    HD2  LYS  26           HD2      LYS  26  -2.688   3.774  -4.560
  201    HD3  LYS  26           HD1      LYS  26  -4.116   4.501  -5.299
  202    HE2  LYS  26           HE2      LYS  26  -3.243   6.734  -4.736
  203    HE3  LYS  26           HE1      LYS  26  -1.801   5.983  -4.057
  204    HZ1  LYS  26           HZ1      LYS  26  -1.257   5.100  -6.221
  205    HZ2  LYS  26           HZ2      LYS  26  -1.451   6.776  -6.324
  206    HZ3  LYS  26           HZ3      LYS  26  -2.671   5.749  -6.884
  207    H    TYR  27           HN       TYR  27  -3.138   2.467   0.077
  208    HA   TYR  27           HA       TYR  27  -5.516   1.103  -0.525
  209    HB2  TYR  27           HB2      TYR  27  -3.517  -0.165  -0.190
  210    HB3  TYR  27           HB1      TYR  27  -3.268   0.520   1.405
  211    HD1  TYR  27           HD1      TYR  27  -5.360  -1.825  -0.545
  212    HD2  TYR  27           HD2      TYR  27  -4.261  -0.478   3.336
  213    HE1  TYR  27           HE1      TYR  27  -6.527  -3.744   0.442
  214    HE2  TYR  27           HE2      TYR  27  -5.429  -2.394   4.333
  215    HH   TYR  27           HH       TYR  27  -7.118  -4.002   3.835
  216    H    GLN  28           HN       GLN  28  -4.380   2.589   2.481
  217    HA   GLN  28           HA       GLN  28  -6.567   1.829   4.075
  218    HB2  GLN  28           HB2      GLN  28  -4.682   4.180   4.317
  219    HB3  GLN  28           HB1      GLN  28  -5.861   3.744   5.546
  220    HG2  GLN  28           HG2      GLN  28  -4.765   1.537   5.769
  221    HG3  GLN  28           HG1      GLN  28  -3.548   2.057   4.604
  222   HE21  GLN  28          HE21      GLN  28  -3.494   4.790   5.619
  223   HE22  GLN  28          HE22      GLN  28  -2.636   4.724   7.115
  224    H    LYS  29           HN       LYS  29  -6.005   4.692   2.076
  225    HA   LYS  29           HA       LYS  29  -8.280   6.129   2.879
  226    HB2  LYS  29           HB2      LYS  29  -6.425   7.132   1.595
  227    HB3  LYS  29           HB1      LYS  29  -6.905   6.192   0.185
  228    HG2  LYS  29           HG2      LYS  29  -9.078   7.337   0.185
  229    HG3  LYS  29           HG1      LYS  29  -8.551   8.304   1.564
  230    HD2  LYS  29           HD2      LYS  29  -6.765   9.268   0.237
  231    HD3  LYS  29           HD1      LYS  29  -7.211   8.252  -1.134
  232    HE2  LYS  29           HE2      LYS  29  -8.099  10.484  -1.434
  233    HE3  LYS  29           HE1      LYS  29  -9.414   9.338  -1.197
  234    HZ1  LYS  29           HZ1      LYS  29  -9.574  10.043   1.101
  235    HZ2  LYS  29           HZ2      LYS  29  -9.751  11.368   0.069
  236    HZ3  LYS  29           HZ3      LYS  29  -8.292  11.124   0.888
  237    H    ASP  30           HN       ASP  30  -7.780   3.952   0.125
  238    HA   ASP  30           HA       ASP  30 -10.433   4.141  -0.853
  239    HB2  ASP  30           HB2      ASP  30  -8.409   3.314  -2.137
  240    HB3  ASP  30           HB1      ASP  30  -8.551   1.803  -1.240
  241    H    LEU  31           HN       LEU  31  -8.835   2.021   1.429
  242    HA   LEU  31           HA       LEU  31 -10.873   0.133   1.806
  243    HB2  LEU  31           HB2      LEU  31  -8.573  -0.172   2.590
  244    HB3  LEU  31           HB1      LEU  31  -8.774   1.146   3.724
  245    HG   LEU  31           HG       LEU  31 -10.422  -0.170   4.976
  246   HD11  LEU  31          HD11      LEU  31 -10.689  -2.564   4.468
  247   HD12  LEU  31          HD12      LEU  31  -9.784  -2.331   2.973
  248   HD13  LEU  31          HD13      LEU  31 -11.340  -1.531   3.198
  249   HD21  LEU  31          HD21      LEU  31  -8.077  -0.255   5.594
  250   HD22  LEU  31          HD22      LEU  31  -7.807  -1.577   4.458
  251   HD23  LEU  31          HD23      LEU  31  -8.843  -1.820   5.866
  252    H    ALA  32           HN       ALA  32 -10.271   3.252   3.331
  253    HA   ALA  32           HA       ALA  32 -12.262   3.136   5.299
  254    HB1  ALA  32           HB1      ALA  32 -10.473   4.819   5.243
  255    HB2  ALA  32           HB2      ALA  32 -12.072   5.547   5.402
  256    HB3  ALA  32           HB3      ALA  32 -11.244   5.567   3.845
  257    H    ASP  33           HN       ASP  33 -12.334   4.138   1.938
  258    HA   ASP  33           HA       ASP  33 -15.024   5.101   2.011
  259    HB2  ASP  33           HB2      ASP  33 -13.419   5.963   0.374
  260    HB3  ASP  33           HB1      ASP  33 -13.264   4.361  -0.340
  261    H    TYR  34           HN       TYR  34 -13.540   2.024   1.547
  262    HA   TYR  34           HA       TYR  34 -15.690   0.798   0.113
  263    HB2  TYR  34           HB2      TYR  34 -13.268   0.053   0.098
  264    HB3  TYR  34           HB1      TYR  34 -13.541  -0.596   1.708
  265    HD1  TYR  34           HD1      TYR  34 -14.927  -0.789  -1.755
  266    HD2  TYR  34           HD2      TYR  34 -14.236  -2.787   1.934
  267    HE1  TYR  34           HE1      TYR  34 -15.762  -2.879  -2.734
  268    HE2  TYR  34           HE2      TYR  34 -15.067  -4.881   0.965
  269    HH   TYR  34           HH       TYR  34 -16.418  -5.682  -0.826
  270    HN1  NH2  35           HN1      NH2  35 -17.583   1.014   1.215
  271    HN2  NH2  35           HN2      NH2  35 -17.900   0.286   2.751
  Start of MODEL    3
    1    H1   ACE   0           HA1      ACE   0 -14.561  -0.417  -4.204
    2    H2   ACE   0           HA2      ACE   0 -13.633  -0.886  -2.782
    3    H3   ACE   0           HA3      ACE   0 -15.229  -1.590  -3.031
    4    HA   PRO   1           HA       PRO   1 -13.038  -3.319  -1.747
    5    HB2  PRO   1           HB2      PRO   1 -12.261  -5.955  -2.191
    6    HB3  PRO   1           HB1      PRO   1 -13.790  -5.458  -1.446
    7    HG2  PRO   1           HG2      PRO   1 -13.235  -6.297  -4.235
    8    HG3  PRO   1           HG1      PRO   1 -14.653  -6.616  -3.215
    9    HD2  PRO   1           HD2      PRO   1 -14.708  -4.758  -5.165
   10    HD3  PRO   1           HD1      PRO   1 -15.595  -4.544  -3.643
   11    HA   PRO   2           HA       PRO   2  -9.129  -2.335  -3.700
   12    HB2  PRO   2           HB2      PRO   2  -7.883  -1.438  -1.457
   13    HB3  PRO   2           HB1      PRO   2  -9.081  -0.474  -2.345
   14    HG2  PRO   2           HG2      PRO   2  -9.423  -2.086   0.134
   15    HG3  PRO   2           HG1      PRO   2 -10.057  -0.475  -0.261
   16    HD2  PRO   2           HD2      PRO   2 -11.573  -2.718  -0.432
   17    HD3  PRO   2           HD1      PRO   2 -11.805  -1.318  -1.500
   18    H    THR   3           HN       THR   3  -7.312  -3.468  -4.017
   19    HA   THR   3           HA       THR   3  -6.817  -5.808  -2.346
   20    HB   THR   3           HB       THR   3  -5.472  -5.029  -4.935
   21    HG1  THR   3           HG1      THR   3  -7.857  -5.309  -5.002
   22   HG21  THR   3          HG21      THR   3  -5.779  -7.694  -3.553
   23   HG22  THR   3          HG22      THR   3  -4.303  -6.730  -3.613
   24   HG23  THR   3          HG23      THR   3  -4.970  -7.414  -5.095
   25    H    LYS   4           HN       LYS   4  -4.883  -6.144  -1.269
   26    HA   LYS   4           HA       LYS   4  -3.452  -3.862  -0.415
   27    HB2  LYS   4           HB2      LYS   4  -2.752  -6.796  -0.164
   28    HB3  LYS   4           HB1      LYS   4  -1.935  -5.489   0.693
   29    HG2  LYS   4           HG2      LYS   4  -4.143  -4.905   1.716
   30    HG3  LYS   4           HG1      LYS   4  -4.788  -6.378   0.995
   31    HD2  LYS   4           HD2      LYS   4  -2.484  -6.236   2.928
   32    HD3  LYS   4           HD1      LYS   4  -4.136  -6.685   3.347
   33    HE2  LYS   4           HE2      LYS   4  -2.370  -8.159   1.396
   34    HE3  LYS   4           HE1      LYS   4  -2.651  -8.634   3.068
   35    HZ1  LYS   4           HZ1      LYS   4  -4.721  -8.450   0.949
   36    HZ2  LYS   4           HZ2      LYS   4  -5.002  -8.889   2.556
   37    HZ3  LYS   4           HZ3      LYS   4  -4.056  -9.876   1.563
   38    HA   PRO   5           HA       PRO   5  -0.539  -3.352  -3.647
   39    HB2  PRO   5           HB2      PRO   5   1.572  -2.646  -1.745
   40    HB3  PRO   5           HB1      PRO   5   0.732  -1.614  -2.919
   41    HG2  PRO   5           HG2      PRO   5   0.381  -1.367  -0.265
   42    HG3  PRO   5           HG1      PRO   5  -0.899  -1.017  -1.452
   43    HD2  PRO   5           HD2      PRO   5  -0.537  -3.428   0.282
   44    HD3  PRO   5           HD1      PRO   5  -2.031  -2.577  -0.176
   45    H    THR   6           HN       THR   6   0.657  -4.733  -4.764
   46    HA   THR   6           HA       THR   6   1.785  -7.064  -3.572
   47    HB   THR   6           HB       THR   6   2.272  -6.014  -6.357
   48    HG1  THR   6           HG1      THR   6   0.033  -7.243  -5.184
   49   HG21  THR   6          HG21      THR   6   3.707  -7.877  -5.708
   50   HG22  THR   6          HG22      THR   6   2.528  -8.398  -6.912
   51   HG23  THR   6          HG23      THR   6   2.293  -8.807  -5.214
   52    H    LYS   7           HN       LYS   7   2.833  -3.905  -4.039
   53    HA   LYS   7           HA       LYS   7   5.561  -4.144  -4.522
   54    HB2  LYS   7           HB2      LYS   7   4.127  -2.045  -2.892
   55    HB3  LYS   7           HB1      LYS   7   5.732  -1.884  -3.592
   56    HG2  LYS   7           HG2      LYS   7   4.794  -2.040  -5.828
   57    HG3  LYS   7           HG1      LYS   7   3.177  -2.257  -5.148
   58    HD2  LYS   7           HD2      LYS   7   3.328  -0.031  -4.117
   59    HD3  LYS   7           HD1      LYS   7   4.938   0.177  -4.814
   60    HE2  LYS   7           HE2      LYS   7   2.341  -0.146  -6.318
   61    HE3  LYS   7           HE1      LYS   7   3.306   1.324  -6.181
   62    HZ1  LYS   7           HZ1      LYS   7   4.100  -1.189  -7.554
   63    HZ2  LYS   7           HZ2      LYS   7   5.111   0.148  -7.343
   64    HZ3  LYS   7           HZ3      LYS   7   3.719   0.286  -8.288
   65    HA   PRO   8           HA       PRO   8   7.136  -5.887  -0.815
   66    HB2  PRO   8           HB2      PRO   8   9.708  -5.029  -0.964
   67    HB3  PRO   8           HB1      PRO   8   9.058  -6.295  -2.018
   68    HG2  PRO   8           HG2      PRO   8   9.492  -3.409  -2.591
   69    HG3  PRO   8           HG1      PRO   8   9.815  -4.823  -3.615
   70    HD2  PRO   8           HD2      PRO   8   7.606  -3.267  -3.922
   71    HD3  PRO   8           HD1      PRO   8   7.619  -5.008  -4.286
   72    H    GLY   9           HN       GLY   9   7.109  -5.318   1.260
   73    HA2  GLY   9           HA2      GLY   9   7.882  -2.575   1.991
   74    HA3  GLY   9           HA1      GLY   9   6.343  -3.223   2.530
   75    H    ASP  10           HN       ASP  10   8.493  -5.722   2.446
   76    HA   ASP  10           HA       ASP  10   8.727  -5.649   5.346
   77    HB2  ASP  10           HB2      ASP  10   9.304  -7.853   3.359
   78    HB3  ASP  10           HB1      ASP  10   9.527  -8.010   5.096
   79    H    ASN  11           HN       ASN  11  10.981  -6.825   2.869
   80    HA   ASN  11           HA       ASN  11  13.159  -5.606   4.431
   81    HB2  ASN  11           HB2      ASN  11  13.126  -8.031   2.634
   82    HB3  ASN  11           HB1      ASN  11  14.617  -7.276   3.179
   83   HD21  ASN  11          HD21      ASN  11  15.278  -9.081   4.317
   84   HD22  ASN  11          HD22      ASN  11  14.526  -9.578   5.791
   85    H    ALA  12           HN       ALA  12  11.508  -4.295   2.411
   86    HA   ALA  12           HA       ALA  12  13.122  -3.976   0.061
   87    HB1  ALA  12           HB1      ALA  12  10.646  -3.761   0.087
   88    HB2  ALA  12           HB2      ALA  12  11.481  -2.391  -0.641
   89    HB3  ALA  12           HB3      ALA  12  10.832  -2.262   0.995
   90    H    THR  13           HN       THR  13  13.958  -1.874  -0.623
   91    HA   THR  13           HA       THR  13  15.644  -0.703   1.317
   92    HB   THR  13           HB       THR  13  16.125   0.982  -0.473
   93    HG1  THR  13           HG1      THR  13  14.792  -0.484  -2.393
   94   HG21  THR  13          HG21      THR  13  17.181  -0.628  -1.996
   95   HG22  THR  13          HG22      THR  13  16.207  -1.919  -1.288
   96   HG23  THR  13          HG23      THR  13  17.407  -1.079  -0.305
   97    HA   PRO  14           HA       PRO  14  13.213   2.296   3.352
   98    HB2  PRO  14           HB2      PRO  14  14.928   4.490   3.228
   99    HB3  PRO  14           HB1      PRO  14  15.002   3.204   4.445
  100    HG2  PRO  14           HG2      PRO  14  16.597   3.565   1.974
  101    HG3  PRO  14           HG1      PRO  14  17.090   2.958   3.575
  102    HD2  PRO  14           HD2      PRO  14  16.687   1.275   1.534
  103    HD3  PRO  14           HD1      PRO  14  16.221   0.838   3.191
  104    H    GLU  15           HN       GLU  15  14.745   3.363   0.352
  105    HA   GLU  15           HA       GLU  15  12.998   5.519  -0.159
  106    HB2  GLU  15           HB2      GLU  15  15.119   5.354  -1.296
  107    HB3  GLU  15           HB1      GLU  15  14.656   3.817  -2.015
  108    HG2  GLU  15           HG2      GLU  15  12.909   4.932  -3.303
  109    HG3  GLU  15           HG1      GLU  15  13.353   6.471  -2.568
  110    H    LYS  16           HN       LYS  16  12.960   2.122  -1.076
  111    HA   LYS  16           HA       LYS  16  10.631   2.261  -2.692
  112    HB2  LYS  16           HB2      LYS  16  12.343   0.440  -2.815
  113    HB3  LYS  16           HB1      LYS  16  11.797  -0.126  -1.242
  114    HG2  LYS  16           HG2      LYS  16  10.816  -1.508  -2.915
  115    HG3  LYS  16           HG1      LYS  16   9.543  -0.498  -2.228
  116    HD2  LYS  16           HD2      LYS  16   9.608   0.972  -4.128
  117    HD3  LYS  16           HD1      LYS  16  11.016   0.133  -4.783
  118    HE2  LYS  16           HE2      LYS  16   9.638  -1.919  -4.974
  119    HE3  LYS  16           HE1      LYS  16   8.238  -0.989  -4.442
  120    HZ1  LYS  16           HZ1      LYS  16   9.847  -0.405  -6.867
  121    HZ2  LYS  16           HZ2      LYS  16   8.459   0.417  -6.371
  122    HZ3  LYS  16           HZ3      LYS  16   8.354  -1.195  -6.860
  123    H    LEU  17           HN       LEU  17  11.273   1.564   0.694
  124    HA   LEU  17           HA       LEU  17   8.702   0.799   1.467
  125    HB2  LEU  17           HB2      LEU  17  10.846   2.226   3.021
  126    HB3  LEU  17           HB1      LEU  17   9.393   1.566   3.739
  127    HG   LEU  17           HG       LEU  17  11.573   0.001   2.360
  128   HD11  LEU  17          HD11      LEU  17  10.705   0.080   5.244
  129   HD12  LEU  17          HD12      LEU  17  12.157   0.833   4.591
  130   HD13  LEU  17          HD13      LEU  17  11.987  -0.920   4.565
  131   HD21  LEU  17          HD21      LEU  17   9.462  -1.043   1.904
  132   HD22  LEU  17          HD22      LEU  17   8.971  -0.886   3.591
  133   HD23  LEU  17          HD23      LEU  17  10.291  -1.972   3.154
  134    H    ALA  18           HN       ALA  18  10.170   3.985   1.143
  135    HA   ALA  18           HA       ALA  18   8.081   5.479   2.262
  136    HB1  ALA  18           HB1      ALA  18  10.005   6.269   0.084
  137    HB2  ALA  18           HB2      ALA  18  10.291   6.413   1.819
  138    HB3  ALA  18           HB3      ALA  18   9.027   7.374   1.049
  139    H    LYS  19           HN       LYS  19   8.681   4.374  -1.042
  140    HA   LYS  19           HA       LYS  19   6.365   5.586  -2.146
  141    HB2  LYS  19           HB2      LYS  19   8.317   4.874  -3.496
  142    HB3  LYS  19           HB1      LYS  19   7.920   3.199  -3.157
  143    HG2  LYS  19           HG2      LYS  19   7.164   3.852  -5.370
  144    HG3  LYS  19           HG1      LYS  19   5.797   3.453  -4.328
  145    HD2  LYS  19           HD2      LYS  19   5.380   5.816  -3.941
  146    HD3  LYS  19           HD1      LYS  19   6.785   6.243  -4.918
  147    HE2  LYS  19           HE2      LYS  19   5.736   5.248  -6.879
  148    HE3  LYS  19           HE1      LYS  19   4.346   4.768  -5.906
  149    HZ1  LYS  19           HZ1      LYS  19   3.865   7.086  -5.491
  150    HZ2  LYS  19           HZ2      LYS  19   3.928   6.802  -7.156
  151    HZ3  LYS  19           HZ3      LYS  19   5.221   7.565  -6.379
  152    H    TYR  20           HN       TYR  20   7.079   2.400  -0.809
  153    HA   TYR  20           HA       TYR  20   4.599   1.204  -1.340
  154    HB2  TYR  20           HB2      TYR  20   6.435  -0.174  -0.606
  155    HB3  TYR  20           HB1      TYR  20   6.569   0.724   0.905
  156    HD1  TYR  20           HD1      TYR  20   4.250  -1.472  -1.013
  157    HD2  TYR  20           HD2      TYR  20   5.400   0.004   2.810
  158    HE1  TYR  20           HE1      TYR  20   2.747  -3.094   0.057
  159    HE2  TYR  20           HE2      TYR  20   3.894  -1.615   3.890
  160    HH   TYR  20           HH       TYR  20   1.958  -2.954   3.393
  161    H    GLN  21           HN       GLN  21   5.718   3.094   1.450
  162    HA   GLN  21           HA       GLN  21   3.342   2.894   2.941
  163    HB2  GLN  21           HB2      GLN  21   5.508   4.992   2.925
  164    HB3  GLN  21           HB1      GLN  21   4.178   4.988   4.074
  165    HG2  GLN  21           HG2      GLN  21   4.882   2.840   4.935
  166    HG3  GLN  21           HG1      GLN  21   6.164   2.755   3.729
  167   HE21  GLN  21          HE21      GLN  21   7.747   2.576   5.318
  168   HE22  GLN  21          HE22      GLN  21   8.238   3.924   6.281
  169    H    ALA  22           HN       ALA  22   4.323   5.046   0.368
  170    HA   ALA  22           HA       ALA  22   2.151   6.852   0.619
  171    HB1  ALA  22           HB1      ALA  22   2.805   7.609  -1.621
  172    HB2  ALA  22           HB2      ALA  22   3.886   6.222  -1.764
  173    HB3  ALA  22           HB3      ALA  22   4.197   7.461  -0.548
  174    H    ASP  23           HN       ASP  23   2.713   3.947  -1.316
  175    HA   ASP  23           HA       ASP  23   0.195   4.117  -2.676
  176    HB2  ASP  23           HB2      ASP  23   2.188   2.930  -3.615
  177    HB3  ASP  23           HB1      ASP  23   2.001   1.703  -2.359
  178    H    LEU  24           HN       LEU  24   1.433   2.428   0.143
  179    HA   LEU  24           HA       LEU  24  -0.865   0.918   0.757
  180    HB2  LEU  24           HB2      LEU  24   1.307   0.531   1.842
  181    HB3  LEU  24           HB1      LEU  24   1.213   2.103   2.608
  182    HG   LEU  24           HG       LEU  24  -0.819   1.316   3.836
  183   HD11  LEU  24          HD11      LEU  24  -1.328  -1.028   3.917
  184   HD12  LEU  24          HD12      LEU  24  -0.008  -1.394   2.808
  185   HD13  LEU  24          HD13      LEU  24  -1.406  -0.484   2.242
  186   HD21  LEU  24          HD21      LEU  24   1.693  -0.297   4.257
  187   HD22  LEU  24          HD22      LEU  24   0.423  -0.019   5.448
  188   HD23  LEU  24          HD23      LEU  24   1.398   1.331   4.867
  189    H    ALA  25           HN       ALA  25   0.090   4.231   1.510
  190    HA   ALA  25           HA       ALA  25  -2.022   4.891   3.227
  191    HB1  ALA  25           HB1      ALA  25  -0.037   6.291   2.911
  192    HB2  ALA  25           HB2      ALA  25  -1.527   7.206   2.672
  193    HB3  ALA  25           HB3      ALA  25  -0.580   6.680   1.279
  194    H    LYS  26           HN       LYS  26  -1.747   4.955  -0.283
  195    HA   LYS  26           HA       LYS  26  -4.294   6.006  -0.844
  196    HB2  LYS  26           HB2      LYS  26  -2.534   5.841  -2.540
  197    HB3  LYS  26           HB1      LYS  26  -2.587   4.091  -2.451
  198    HG2  LYS  26           HG2      LYS  26  -3.733   5.017  -4.430
  199    HG3  LYS  26           HG1      LYS  26  -4.782   4.042  -3.401
  200    HD2  LYS  26           HD2      LYS  26  -5.782   6.019  -2.460
  201    HD3  LYS  26           HD1      LYS  26  -4.636   7.053  -3.314
  202    HE2  LYS  26           HE2      LYS  26  -6.900   6.934  -4.359
  203    HE3  LYS  26           HE1      LYS  26  -5.577   6.473  -5.428
  204    HZ1  LYS  26           HZ1      LYS  26  -7.556   4.997  -5.520
  205    HZ2  LYS  26           HZ2      LYS  26  -7.235   4.512  -3.928
  206    HZ3  LYS  26           HZ3      LYS  26  -6.116   4.192  -5.160
  207    H    TYR  27           HN       TYR  27  -3.139   2.694  -0.395
  208    HA   TYR  27           HA       TYR  27  -5.583   1.374  -0.833
  209    HB2  TYR  27           HB2      TYR  27  -3.609   0.046  -0.808
  210    HB3  TYR  27           HB1      TYR  27  -3.140   0.648   0.772
  211    HD1  TYR  27           HD1      TYR  27  -5.648  -1.463  -0.969
  212    HD2  TYR  27           HD2      TYR  27  -3.797  -0.494   2.736
  213    HE1  TYR  27           HE1      TYR  27  -6.728  -3.404   0.070
  214    HE2  TYR  27           HE2      TYR  27  -4.874  -2.438   3.783
  215    HH   TYR  27           HH       TYR  27  -6.719  -3.920   3.475
  216    H    GLN  28           HN       GLN  28  -4.166   2.785   2.072
  217    HA   GLN  28           HA       GLN  28  -6.057   1.854   3.917
  218    HB2  GLN  28           HB2      GLN  28  -4.455   4.424   3.975
  219    HB3  GLN  28           HB1      GLN  28  -5.325   3.749   5.345
  220    HG2  GLN  28           HG2      GLN  28  -3.881   1.774   5.302
  221    HG3  GLN  28           HG1      GLN  28  -3.015   2.436   3.914
  222   HE21  GLN  28          HE21      GLN  28  -1.985   1.719   6.526
  223   HE22  GLN  28          HE22      GLN  28  -1.282   3.156   7.187
  224    H    LYS  29           HN       LYS  29  -5.998   4.735   1.881
  225    HA   LYS  29           HA       LYS  29  -8.337   5.942   2.862
  226    HB2  LYS  29           HB2      LYS  29  -6.775   7.163   1.451
  227    HB3  LYS  29           HB1      LYS  29  -7.102   6.079   0.103
  228    HG2  LYS  29           HG2      LYS  29  -9.430   6.861   0.058
  229    HG3  LYS  29           HG1      LYS  29  -9.071   7.969   1.382
  230    HD2  LYS  29           HD2      LYS  29  -7.667   8.008  -1.287
  231    HD3  LYS  29           HD1      LYS  29  -9.053   9.020  -0.885
  232    HE2  LYS  29           HE2      LYS  29  -6.402   9.012   0.554
  233    HE3  LYS  29           HE1      LYS  29  -6.932  10.219  -0.614
  234    HZ1  LYS  29           HZ1      LYS  29  -8.227   9.646   1.995
  235    HZ2  LYS  29           HZ2      LYS  29  -8.758  10.788   0.876
  236    HZ3  LYS  29           HZ3      LYS  29  -7.267  10.990   1.645
  237    H    ASP  30           HN       ASP  30  -7.828   3.777   0.089
  238    HA   ASP  30           HA       ASP  30 -10.521   3.540  -0.668
  239    HB2  ASP  30           HB2      ASP  30  -8.138   1.732  -1.031
  240    HB3  ASP  30           HB1      ASP  30  -9.736   1.272  -1.608
  241    H    LEU  31           HN       LEU  31  -8.551   1.711   1.587
  242    HA   LEU  31           HA       LEU  31 -10.384  -0.326   2.203
  243    HB2  LEU  31           HB2      LEU  31  -7.948  -0.325   2.739
  244    HB3  LEU  31           HB1      LEU  31  -8.255   0.876   3.977
  245    HG   LEU  31           HG       LEU  31  -9.683  -0.758   5.172
  246   HD11  LEU  31          HD11      LEU  31  -9.521  -3.131   4.532
  247   HD12  LEU  31          HD12      LEU  31  -8.694  -2.658   3.049
  248   HD13  LEU  31          HD13      LEU  31 -10.364  -2.164   3.324
  249   HD21  LEU  31          HD21      LEU  31  -6.857  -1.608   4.572
  250   HD22  LEU  31          HD22      LEU  31  -7.816  -2.168   5.942
  251   HD23  LEU  31          HD23      LEU  31  -7.375  -0.466   5.812
  252    H    ALA  32           HN       ALA  32  -9.717   2.757   3.810
  253    HA   ALA  32           HA       ALA  32 -11.622   2.512   5.859
  254    HB1  ALA  32           HB1      ALA  32 -11.357   4.910   6.140
  255    HB2  ALA  32           HB2      ALA  32 -10.570   5.018   4.566
  256    HB3  ALA  32           HB3      ALA  32  -9.791   4.141   5.883
  257    H    ASP  33           HN       ASP  33 -11.776   3.844   2.614
  258    HA   ASP  33           HA       ASP  33 -14.395   4.885   2.774
  259    HB2  ASP  33           HB2      ASP  33 -12.865   5.591   1.020
  260    HB3  ASP  33           HB1      ASP  33 -12.785   3.953   0.386
  261    H    TYR  34           HN       TYR  34 -13.107   1.742   1.964
  262    HA   TYR  34           HA       TYR  34 -15.529   0.615   0.985
  263    HB2  TYR  34           HB2      TYR  34 -13.275  -0.270   0.452
  264    HB3  TYR  34           HB1      TYR  34 -13.089  -0.760   2.130
  265    HD1  TYR  34           HD1      TYR  34 -15.131  -1.330  -0.909
  266    HD2  TYR  34           HD2      TYR  34 -13.889  -2.839   2.863
  267    HE1  TYR  34           HE1      TYR  34 -16.164  -3.490  -1.443
  268    HE2  TYR  34           HE2      TYR  34 -14.919  -5.005   2.344
  269    HH   TYR  34           HH       TYR  34 -16.769  -5.851   0.862
  270    HN1  NH2  35           HN1      NH2  35 -14.029   0.881   4.122
  271    HN2  NH2  35           HN2      NH2  35 -15.313   0.162   5.028
  Start of MODEL    4
    1    H1   ACE   0           HA1      ACE   0 -14.125   0.557  -4.575
    2    H2   ACE   0           HA2      ACE   0 -13.117   0.170  -3.183
    3    H3   ACE   0           HA3      ACE   0 -14.653  -0.673  -3.387
    4    HA   PRO   1           HA       PRO   1 -12.767  -2.380  -2.094
    5    HB2  PRO   1           HB2      PRO   1 -11.558  -4.846  -2.622
    6    HB3  PRO   1           HB1      PRO   1 -13.226  -4.622  -2.065
    7    HG2  PRO   1           HG2      PRO   1 -12.204  -5.090  -4.815
    8    HG3  PRO   1           HG1      PRO   1 -13.675  -5.704  -4.028
    9    HD2  PRO   1           HD2      PRO   1 -13.803  -3.694  -5.792
   10    HD3  PRO   1           HD1      PRO   1 -14.837  -3.710  -4.346
   11    HA   PRO   2           HA       PRO   2  -8.629  -0.902  -2.769
   12    HB2  PRO   2           HB2      PRO   2  -7.638  -1.278  -0.252
   13    HB3  PRO   2           HB1      PRO   2  -8.743   0.049  -0.672
   14    HG2  PRO   2           HG2      PRO   2  -9.343  -2.563   0.627
   15    HG3  PRO   2           HG1      PRO   2  -9.942  -0.942   1.022
   16    HD2  PRO   2           HD2      PRO   2 -11.432  -2.694  -0.381
   17    HD3  PRO   2           HD1      PRO   2 -11.501  -0.946  -0.681
   18    H    THR   3           HN       THR   3  -6.795  -1.812  -3.490
   19    HA   THR   3           HA       THR   3  -6.424  -4.674  -3.065
   20    HB   THR   3           HB       THR   3  -4.984  -2.853  -4.994
   21    HG1  THR   3           HG1      THR   3  -7.402  -4.314  -5.184
   22   HG21  THR   3          HG21      THR   3  -5.276  -5.858  -4.925
   23   HG22  THR   3          HG22      THR   3  -3.833  -4.963  -4.451
   24   HG23  THR   3          HG23      THR   3  -4.383  -4.923  -6.126
   25    H    LYS   4           HN       LYS   4  -4.896  -5.432  -1.775
   26    HA   LYS   4           HA       LYS   4  -3.236  -3.779  -0.217
   27    HB2  LYS   4           HB2      LYS   4  -3.087  -6.740  -0.808
   28    HB3  LYS   4           HB1      LYS   4  -2.103  -5.927   0.408
   29    HG2  LYS   4           HG2      LYS   4  -4.036  -5.366   1.689
   30    HG3  LYS   4           HG1      LYS   4  -5.110  -5.945   0.415
   31    HD2  LYS   4           HD2      LYS   4  -4.227  -8.213   0.723
   32    HD3  LYS   4           HD1      LYS   4  -3.180  -7.619   2.013
   33    HE2  LYS   4           HE2      LYS   4  -5.084  -7.013   3.350
   34    HE3  LYS   4           HE1      LYS   4  -6.185  -7.427   2.039
   35    HZ1  LYS   4           HZ1      LYS   4  -6.086  -9.175   3.693
   36    HZ2  LYS   4           HZ2      LYS   4  -4.417  -9.331   3.475
   37    HZ3  LYS   4           HZ3      LYS   4  -5.475  -9.728   2.217
   38    HA   PRO   5           HA       PRO   5   0.018  -2.791  -3.054
   39    HB2  PRO   5           HB2      PRO   5   2.062  -2.711  -1.149
   40    HB3  PRO   5           HB1      PRO   5   1.021  -1.350  -1.611
   41    HG2  PRO   5           HG2      PRO   5   0.829  -3.166   0.729
   42    HG3  PRO   5           HG1      PRO   5   0.456  -1.432   0.594
   43    HD2  PRO   5           HD2      PRO   5  -1.494  -3.277   0.673
   44    HD3  PRO   5           HD1      PRO   5  -1.637  -1.815  -0.333
   45    H    THR   6           HN       THR   6   0.606  -4.365  -4.346
   46    HA   THR   6           HA       THR   6   1.587  -6.893  -3.403
   47    HB   THR   6           HB       THR   6   1.605  -5.884  -6.242
   48    HG1  THR   6           HG1      THR   6  -0.526  -6.661  -4.584
   49   HG21  THR   6          HG21      THR   6   2.770  -7.995  -5.848
   50   HG22  THR   6          HG22      THR   6   1.297  -8.258  -6.780
   51   HG23  THR   6          HG23      THR   6   1.336  -8.648  -5.061
   52    H    LYS   7           HN       LYS   7   2.887  -3.868  -4.179
   53    HA   LYS   7           HA       LYS   7   5.429  -4.498  -5.159
   54    HB2  LYS   7           HB2      LYS   7   4.562  -2.171  -3.440
   55    HB3  LYS   7           HB1      LYS   7   6.082  -2.264  -4.314
   56    HG2  LYS   7           HG2      LYS   7   3.347  -2.297  -5.576
   57    HG3  LYS   7           HG1      LYS   7   4.418  -0.896  -5.478
   58    HD2  LYS   7           HD2      LYS   7   6.086  -2.047  -6.831
   59    HD3  LYS   7           HD1      LYS   7   5.076  -3.493  -6.879
   60    HE2  LYS   7           HE2      LYS   7   4.389  -0.794  -8.043
   61    HE3  LYS   7           HE1      LYS   7   4.877  -2.225  -8.950
   62    HZ1  LYS   7           HZ1      LYS   7   2.504  -1.991  -9.018
   63    HZ2  LYS   7           HZ2      LYS   7   2.406  -1.919  -7.332
   64    HZ3  LYS   7           HZ3      LYS   7   2.888  -3.354  -8.090
   65    HA   PRO   8           HA       PRO   8   7.705  -6.353  -1.853
   66    HB2  PRO   8           HB2      PRO   8   9.813  -4.341  -2.440
   67    HB3  PRO   8           HB1      PRO   8   9.922  -6.110  -2.383
   68    HG2  PRO   8           HG2      PRO   8   9.934  -4.788  -4.694
   69    HG3  PRO   8           HG1      PRO   8   9.164  -6.378  -4.521
   70    HD2  PRO   8           HD2      PRO   8   7.901  -3.693  -4.767
   71    HD3  PRO   8           HD1      PRO   8   7.299  -5.284  -5.279
   72    H    GLY   9           HN       GLY   9   7.454  -6.041   0.234
   73    HA2  GLY   9           HA2      GLY   9   7.911  -3.347   1.340
   74    HA3  GLY   9           HA1      GLY   9   6.491  -4.278   1.796
   75    H    ASP  10           HN       ASP  10   9.127  -6.262   1.260
   76    HA   ASP  10           HA       ASP  10   9.496  -6.575   4.152
   77    HB2  ASP  10           HB2      ASP  10  10.228  -8.489   1.927
   78    HB3  ASP  10           HB1      ASP  10  10.368  -8.808   3.649
   79    H    ASN  11           HN       ASN  11  11.527  -7.098   1.280
   80    HA   ASN  11           HA       ASN  11  13.855  -6.335   2.869
   81    HB2  ASN  11           HB2      ASN  11  15.199  -7.388   1.147
   82    HB3  ASN  11           HB1      ASN  11  13.906  -8.480   1.623
   83   HD21  ASN  11          HD21      ASN  11  12.265  -8.946   0.180
   84   HD22  ASN  11          HD22      ASN  11  12.362  -8.540  -1.497
   85    H    ALA  12           HN       ALA  12  11.760  -4.697   1.053
   86    HA   ALA  12           HA       ALA  12  13.398  -3.318  -0.793
   87    HB1  ALA  12           HB1      ALA  12  10.793  -2.435   0.436
   88    HB2  ALA  12           HB2      ALA  12  10.957  -3.446  -0.999
   89    HB3  ALA  12           HB3      ALA  12  11.537  -1.781  -1.022
   90    H    THR  13           HN       THR  13  14.446  -1.380  -0.645
   91    HA   THR  13           HA       THR  13  15.594  -0.683   1.823
   92    HB   THR  13           HB       THR  13  16.471   1.305   0.575
   93    HG1  THR  13           HG1      THR  13  15.995   1.329  -1.703
   94   HG21  THR  13          HG21      THR  13  17.836  -0.008  -0.978
   95   HG22  THR  13          HG22      THR  13  16.715  -1.362  -0.811
   96   HG23  THR  13          HG23      THR  13  17.663  -0.824   0.576
   97    HA   PRO  14           HA       PRO  14  12.853   2.152   3.798
   98    HB2  PRO  14           HB2      PRO  14  14.587   4.299   4.243
   99    HB3  PRO  14           HB1      PRO  14  14.407   2.893   5.305
  100    HG2  PRO  14           HG2      PRO  14  16.466   3.456   3.248
  101    HG3  PRO  14           HG1      PRO  14  16.619   2.659   4.835
  102    HD2  PRO  14           HD2      PRO  14  16.606   1.220   2.581
  103    HD3  PRO  14           HD1      PRO  14  15.807   0.628   4.049
  104    H    GLU  15           HN       GLU  15  14.971   3.544   1.339
  105    HA   GLU  15           HA       GLU  15  13.396   5.807   0.748
  106    HB2  GLU  15           HB2      GLU  15  15.770   5.555   0.109
  107    HB3  GLU  15           HB1      GLU  15  15.317   4.294  -1.028
  108    HG2  GLU  15           HG2      GLU  15  13.928   5.963  -2.240
  109    HG3  GLU  15           HG1      GLU  15  14.556   7.202  -1.153
  110    H    LYS  16           HN       LYS  16  13.493   2.536  -0.517
  111    HA   LYS  16           HA       LYS  16  11.614   2.988  -2.621
  112    HB2  LYS  16           HB2      LYS  16  13.401   1.231  -2.626
  113    HB3  LYS  16           HB1      LYS  16  12.506   0.384  -1.376
  114    HG2  LYS  16           HG2      LYS  16  10.709  -0.076  -2.855
  115    HG3  LYS  16           HG1      LYS  16  11.372   1.003  -4.088
  116    HD2  LYS  16           HD2      LYS  16  13.343  -0.457  -4.277
  117    HD3  LYS  16           HD1      LYS  16  12.639  -1.545  -3.083
  118    HE2  LYS  16           HE2      LYS  16  11.380  -0.845  -5.729
  119    HE3  LYS  16           HE1      LYS  16  12.320  -2.301  -5.420
  120    HZ1  LYS  16           HZ1      LYS  16   9.913  -2.651  -5.254
  121    HZ2  LYS  16           HZ2      LYS  16   9.846  -1.560  -3.966
  122    HZ3  LYS  16           HZ3      LYS  16  10.718  -3.000  -3.810
  123    H    LEU  17           HN       LEU  17  11.492   1.721   0.658
  124    HA   LEU  17           HA       LEU  17   8.847   0.821   0.654
  125    HB2  LEU  17           HB2      LEU  17  10.588   1.865   2.869
  126    HB3  LEU  17           HB1      LEU  17   8.984   1.232   3.152
  127    HG   LEU  17           HG       LEU  17  11.316  -0.305   2.008
  128   HD11  LEU  17          HD11      LEU  17   9.938  -0.483   4.682
  129   HD12  LEU  17          HD12      LEU  17  11.546   0.173   4.383
  130   HD13  LEU  17          HD13      LEU  17  11.230  -1.539   4.108
  131   HD21  LEU  17          HD21      LEU  17   8.486  -1.142   2.616
  132   HD22  LEU  17          HD22      LEU  17   9.808  -2.260   2.289
  133   HD23  LEU  17          HD23      LEU  17   9.284  -1.132   1.042
  134    H    ALA  18           HN       ALA  18  10.121   4.026   0.704
  135    HA   ALA  18           HA       ALA  18   7.976   5.369   1.924
  136    HB1  ALA  18           HB1      ALA  18   9.824   6.375  -0.228
  137    HB2  ALA  18           HB2      ALA  18  10.157   6.406   1.503
  138    HB3  ALA  18           HB3      ALA  18   8.833   7.366   0.842
  139    H    LYS  19           HN       LYS  19   8.583   4.393  -1.403
  140    HA   LYS  19           HA       LYS  19   6.195   5.589  -2.429
  141    HB2  LYS  19           HB2      LYS  19   8.246   5.109  -3.774
  142    HB3  LYS  19           HB1      LYS  19   7.885   3.397  -3.638
  143    HG2  LYS  19           HG2      LYS  19   5.956   3.592  -4.970
  144    HG3  LYS  19           HG1      LYS  19   5.952   5.352  -4.842
  145    HD2  LYS  19           HD2      LYS  19   6.752   4.618  -7.037
  146    HD3  LYS  19           HD1      LYS  19   8.017   5.461  -6.142
  147    HE2  LYS  19           HE2      LYS  19   8.948   3.277  -5.469
  148    HE3  LYS  19           HE1      LYS  19   7.719   2.478  -6.444
  149    HZ1  LYS  19           HZ1      LYS  19   9.767   2.616  -7.660
  150    HZ2  LYS  19           HZ2      LYS  19   9.849   4.288  -7.440
  151    HZ3  LYS  19           HZ3      LYS  19   8.627   3.623  -8.397
  152    H    TYR  20           HN       TYR  20   7.122   2.465  -1.179
  153    HA   TYR  20           HA       TYR  20   4.761   1.041  -1.754
  154    HB2  TYR  20           HB2      TYR  20   6.780  -0.093  -1.012
  155    HB3  TYR  20           HB1      TYR  20   6.734   0.767   0.523
  156    HD1  TYR  20           HD1      TYR  20   5.092  -1.844  -1.501
  157    HD2  TYR  20           HD2      TYR  20   5.368  -0.003   2.324
  158    HE1  TYR  20           HE1      TYR  20   3.778  -3.675  -0.534
  159    HE2  TYR  20           HE2      TYR  20   4.054  -1.837   3.300
  160    HH   TYR  20           HH       TYR  20   2.417  -3.530   2.559
  161    H    GLN  21           HN       GLN  21   5.719   3.047   1.001
  162    HA   GLN  21           HA       GLN  21   3.397   2.692   2.542
  163    HB2  GLN  21           HB2      GLN  21   5.385   4.954   2.420
  164    HB3  GLN  21           HB1      GLN  21   4.070   4.897   3.583
  165    HG2  GLN  21           HG2      GLN  21   4.942   2.867   4.540
  166    HG3  GLN  21           HG1      GLN  21   6.199   2.793   3.307
  167   HE21  GLN  21          HE21      GLN  21   7.819   2.804   4.875
  168   HE22  GLN  21          HE22      GLN  21   8.242   4.244   5.738
  169    H    ALA  22           HN       ALA  22   4.146   4.855  -0.102
  170    HA   ALA  22           HA       ALA  22   1.896   6.528   0.131
  171    HB1  ALA  22           HB1      ALA  22   3.447   5.784  -2.345
  172    HB2  ALA  22           HB2      ALA  22   3.852   7.089  -1.232
  173    HB3  ALA  22           HB3      ALA  22   2.363   7.164  -2.175
  174    H    ASP  23           HN       ASP  23   2.432   3.451  -1.487
  175    HA   ASP  23           HA       ASP  23  -0.157   3.370  -2.718
  176    HB2  ASP  23           HB2      ASP  23   1.881   2.115  -3.542
  177    HB3  ASP  23           HB1      ASP  23   1.691   1.033  -2.162
  178    H    LEU  24           HN       LEU  24   1.312   2.056   0.197
  179    HA   LEU  24           HA       LEU  24  -0.910   0.601   1.151
  180    HB2  LEU  24           HB2      LEU  24   1.438   0.406   1.990
  181    HB3  LEU  24           HB1      LEU  24   1.276   1.983   2.724
  182    HG   LEU  24           HG       LEU  24   1.072  -0.095   4.216
  183   HD11  LEU  24          HD11      LEU  24  -0.585   0.992   5.644
  184   HD12  LEU  24          HD12      LEU  24  -1.046   2.038   4.301
  185   HD13  LEU  24          HD13      LEU  24   0.575   2.147   4.984
  186   HD21  LEU  24          HD21      LEU  24  -1.684  -0.088   3.000
  187   HD22  LEU  24          HD22      LEU  24  -1.179  -1.029   4.402
  188   HD23  LEU  24          HD23      LEU  24  -0.471  -1.355   2.821
  189    H    ALA  25           HN       ALA  25   0.057   3.975   1.468
  190    HA   ALA  25           HA       ALA  25  -1.936   4.838   3.230
  191    HB1  ALA  25           HB1      ALA  25  -0.646   6.370   0.980
  192    HB2  ALA  25           HB2      ALA  25   0.011   6.182   2.607
  193    HB3  ALA  25           HB3      ALA  25  -1.496   7.065   2.361
  194    H    LYS  26           HN       LYS  26  -1.921   4.529  -0.293
  195    HA   LYS  26           HA       LYS  26  -4.521   5.525  -0.736
  196    HB2  LYS  26           HB2      LYS  26  -3.011   5.286  -2.605
  197    HB3  LYS  26           HB1      LYS  26  -2.864   3.558  -2.324
  198    HG2  LYS  26           HG2      LYS  26  -5.153   3.199  -2.956
  199    HG3  LYS  26           HG1      LYS  26  -5.424   4.936  -3.100
  200    HD2  LYS  26           HD2      LYS  26  -3.974   5.081  -4.986
  201    HD3  LYS  26           HD1      LYS  26  -3.407   3.426  -4.751
  202    HE2  LYS  26           HE2      LYS  26  -5.064   3.676  -6.596
  203    HE3  LYS  26           HE1      LYS  26  -5.549   2.536  -5.344
  204    HZ1  LYS  26           HZ1      LYS  26  -6.491   5.348  -5.536
  205    HZ2  LYS  26           HZ2      LYS  26  -7.011   4.191  -4.410
  206    HZ3  LYS  26           HZ3      LYS  26  -7.363   3.994  -6.054
  207    H    TYR  27           HN       TYR  27  -3.280   2.294  -0.047
  208    HA   TYR  27           HA       TYR  27  -5.693   0.888  -0.280
  209    HB2  TYR  27           HB2      TYR  27  -3.555  -0.282  -0.078
  210    HB3  TYR  27           HB1      TYR  27  -3.334   0.362   1.543
  211    HD1  TYR  27           HD1      TYR  27  -5.382  -1.927  -0.501
  212    HD2  TYR  27           HD2      TYR  27  -4.328  -0.709   3.436
  213    HE1  TYR  27           HE1      TYR  27  -6.547  -3.881   0.410
  214    HE2  TYR  27           HE2      TYR  27  -5.497  -2.665   4.358
  215    HH   TYR  27           HH       TYR  27  -7.215  -4.244   3.758
  216    H    GLN  28           HN       GLN  28  -4.243   2.594   2.454
  217    HA   GLN  28           HA       GLN  28  -6.186   1.990   4.383
  218    HB2  GLN  28           HB2      GLN  28  -4.473   4.466   4.068
  219    HB3  GLN  28           HB1      GLN  28  -5.424   4.098   5.498
  220    HG2  GLN  28           HG2      GLN  28  -4.086   2.113   5.911
  221    HG3  GLN  28           HG1      GLN  28  -3.171   2.404   4.430
  222   HE21  GLN  28          HE21      GLN  28  -2.268   2.257   7.218
  223   HE22  GLN  28          HE22      GLN  28  -1.457   3.751   7.524
  224    H    LYS  29           HN       LYS  29  -5.927   4.698   2.123
  225    HA   LYS  29           HA       LYS  29  -8.184   6.102   3.025
  226    HB2  LYS  29           HB2      LYS  29  -6.397   7.095   1.651
  227    HB3  LYS  29           HB1      LYS  29  -6.918   6.121   0.280
  228    HG2  LYS  29           HG2      LYS  29  -9.016   7.280   0.180
  229    HG3  LYS  29           HG1      LYS  29  -8.645   8.161   1.664
  230    HD2  LYS  29           HD2      LYS  29  -6.735   9.219   0.541
  231    HD3  LYS  29           HD1      LYS  29  -7.142   8.359  -0.944
  232    HE2  LYS  29           HE2      LYS  29  -9.248   9.506  -1.092
  233    HE3  LYS  29           HE1      LYS  29  -8.992  10.263   0.479
  234    HZ1  LYS  29           HZ1      LYS  29  -7.139  11.481  -0.421
  235    HZ2  LYS  29           HZ2      LYS  29  -8.509  11.758  -1.378
  236    HZ3  LYS  29           HZ3      LYS  29  -7.299  10.707  -1.917
  237    H    ASP  30           HN       ASP  30  -7.795   3.856   0.291
  238    HA   ASP  30           HA       ASP  30 -10.525   3.892  -0.446
  239    HB2  ASP  30           HB2      ASP  30  -8.229   2.073  -1.057
  240    HB3  ASP  30           HB1      ASP  30  -9.869   1.569  -1.471
  241    H    LEU  31           HN       LEU  31  -8.697   1.972   1.840
  242    HA   LEU  31           HA       LEU  31 -10.666   0.036   2.416
  243    HB2  LEU  31           HB2      LEU  31  -8.253  -0.052   3.101
  244    HB3  LEU  31           HB1      LEU  31  -8.598   1.175   4.301
  245    HG   LEU  31           HG       LEU  31 -10.188  -0.396   5.391
  246   HD11  LEU  31          HD11      LEU  31 -10.015  -2.785   4.805
  247   HD12  LEU  31          HD12      LEU  31  -9.064  -2.348   3.387
  248   HD13  LEU  31          HD13      LEU  31 -10.742  -1.822   3.522
  249   HD21  LEU  31          HD21      LEU  31  -8.443  -1.790   6.384
  250   HD22  LEU  31          HD22      LEU  31  -7.901  -0.123   6.184
  251   HD23  LEU  31          HD23      LEU  31  -7.355  -1.369   5.060
  252    H    ALA  32           HN       ALA  32  -9.997   3.211   3.787
  253    HA   ALA  32           HA       ALA  32 -11.992   3.194   5.770
  254    HB1  ALA  32           HB1      ALA  32 -11.710   5.617   5.785
  255    HB2  ALA  32           HB2      ALA  32 -10.821   5.523   4.264
  256    HB3  ALA  32           HB3      ALA  32 -10.150   4.795   5.724
  257    H    ASP  33           HN       ASP  33 -12.006   4.055   2.377
  258    HA   ASP  33           HA       ASP  33 -14.652   5.137   2.375
  259    HB2  ASP  33           HB2      ASP  33 -13.076   5.874   0.692
  260    HB3  ASP  33           HB1      ASP  33 -12.850   4.225   0.123
  261    H    TYR  34           HN       TYR  34 -13.228   2.011   1.675
  262    HA   TYR  34           HA       TYR  34 -15.689   0.882   0.685
  263    HB2  TYR  34           HB2      TYR  34 -13.365   0.224  -0.072
  264    HB3  TYR  34           HB1      TYR  34 -13.170  -0.575   1.484
  265    HD1  TYR  34           HD1      TYR  34 -15.510  -0.505  -1.435
  266    HD2  TYR  34           HD2      TYR  34 -13.702  -2.799   1.653
  267    HE1  TYR  34           HE1      TYR  34 -16.563  -2.535  -2.333
  268    HE2  TYR  34           HE2      TYR  34 -14.745  -4.830   0.769
  269    HH   TYR  34           HH       TYR  34 -16.230  -4.961  -2.298
  270    HN1  NH2  35           HN1      NH2  35 -17.264   0.632   2.126
  271    HN2  NH2  35           HN2      NH2  35 -17.110  -0.126   3.671
  Start of MODEL    5
    1    H1   ACE   0           HA1      ACE   0 -13.072  -0.114  -2.653
    2    H2   ACE   0           HA2      ACE   0 -14.405  -1.269  -2.644
    3    H3   ACE   0           HA3      ACE   0 -14.474   0.107  -3.741
    4    HA   PRO   1           HA       PRO   1 -12.293  -2.815  -2.013
    5    HB2  PRO   1           HB2      PRO   1 -10.838  -4.954  -3.056
    6    HB3  PRO   1           HB1      PRO   1 -12.444  -5.075  -2.320
    7    HG2  PRO   1           HG2      PRO   1 -11.690  -4.982  -5.184
    8    HG3  PRO   1           HG1      PRO   1 -12.982  -5.892  -4.372
    9    HD2  PRO   1           HD2      PRO   1 -13.512  -3.670  -5.794
   10    HD3  PRO   1           HD1      PRO   1 -14.417  -4.077  -4.319
   11    HA   PRO   2           HA       PRO   2  -8.617  -0.452  -2.831
   12    HB2  PRO   2           HB2      PRO   2  -7.294  -1.134  -0.489
   13    HB3  PRO   2           HB1      PRO   2  -8.498   0.162  -0.628
   14    HG2  PRO   2           HG2      PRO   2  -8.816  -2.602   0.401
   15    HG3  PRO   2           HG1      PRO   2  -9.542  -1.088   0.968
   16    HD2  PRO   2           HD2      PRO   2 -10.931  -2.861  -0.495
   17    HD3  PRO   2           HD1      PRO   2 -11.195  -1.113  -0.644
   18    H    THR   3           HN       THR   3  -6.563  -0.821  -3.609
   19    HA   THR   3           HA       THR   3  -5.946  -3.551  -4.270
   20    HB   THR   3           HB       THR   3  -4.324  -1.067  -4.833
   21    HG1  THR   3           HG1      THR   3  -6.710  -1.629  -5.723
   22   HG21  THR   3          HG21      THR   3  -4.337  -3.798  -6.118
   23   HG22  THR   3          HG22      THR   3  -3.063  -3.135  -5.095
   24   HG23  THR   3          HG23      THR   3  -3.395  -2.413  -6.670
   25    H    LYS   4           HN       LYS   4  -4.938  -4.837  -2.895
   26    HA   LYS   4           HA       LYS   4  -3.445  -3.975  -0.666
   27    HB2  LYS   4           HB2      LYS   4  -3.483  -6.625  -2.118
   28    HB3  LYS   4           HB1      LYS   4  -2.658  -6.356  -0.585
   29    HG2  LYS   4           HG2      LYS   4  -4.774  -5.827   0.482
   30    HG3  LYS   4           HG1      LYS   4  -5.615  -6.022  -1.055
   31    HD2  LYS   4           HD2      LYS   4  -4.020  -8.206   0.273
   32    HD3  LYS   4           HD1      LYS   4  -5.757  -7.991   0.494
   33    HE2  LYS   4           HE2      LYS   4  -4.412  -8.402  -2.175
   34    HE3  LYS   4           HE1      LYS   4  -5.151  -9.688  -1.225
   35    HZ1  LYS   4           HZ1      LYS   4  -6.579  -7.298  -2.261
   36    HZ2  LYS   4           HZ2      LYS   4  -7.271  -8.576  -1.399
   37    HZ3  LYS   4           HZ3      LYS   4  -6.639  -8.844  -2.941
   38    HA   PRO   5           HA       PRO   5   0.095  -2.421  -2.805
   39    HB2  PRO   5           HB2      PRO   5   1.876  -2.745  -0.670
   40    HB3  PRO   5           HB1      PRO   5   0.866  -1.318  -0.977
   41    HG2  PRO   5           HG2      PRO   5   0.406  -3.594   0.875
   42    HG3  PRO   5           HG1      PRO   5   0.029  -1.867   1.075
   43    HD2  PRO   5           HD2      PRO   5  -1.897  -3.629   0.501
   44    HD3  PRO   5           HD1      PRO   5  -1.900  -1.999  -0.220
   45    H    THR   6           HN       THR   6   0.828  -3.712  -4.321
   46    HA   THR   6           HA       THR   6   1.823  -6.362  -3.805
   47    HB   THR   6           HB       THR   6   2.005  -4.811  -6.380
   48    HG1  THR   6           HG1      THR   6  -0.197  -5.794  -5.024
   49   HG21  THR   6          HG21      THR   6   3.235  -6.924  -6.321
   50   HG22  THR   6          HG22      THR   6   1.844  -7.039  -7.399
   51   HG23  THR   6          HG23      THR   6   1.778  -7.764  -5.792
   52    H    LYS   7           HN       LYS   7   3.072  -3.248  -3.753
   53    HA   LYS   7           HA       LYS   7   5.697  -3.681  -4.703
   54    HB2  LYS   7           HB2      LYS   7   4.778  -1.623  -2.687
   55    HB3  LYS   7           HB1      LYS   7   6.225  -1.539  -3.682
   56    HG2  LYS   7           HG2      LYS   7   4.782  -1.482  -5.691
   57    HG3  LYS   7           HG1      LYS   7   3.369  -1.441  -4.634
   58    HD2  LYS   7           HD2      LYS   7   4.287   0.651  -3.620
   59    HD3  LYS   7           HD1      LYS   7   5.561   0.623  -4.841
   60    HE2  LYS   7           HE2      LYS   7   2.591   0.878  -5.303
   61    HE3  LYS   7           HE1      LYS   7   3.822   2.108  -5.580
   62    HZ1  LYS   7           HZ1      LYS   7   3.120   1.035  -7.639
   63    HZ2  LYS   7           HZ2      LYS   7   3.620  -0.468  -7.049
   64    HZ3  LYS   7           HZ3      LYS   7   4.757   0.749  -7.331
   65    HA   PRO   8           HA       PRO   8   7.658  -5.860  -1.419
   66    HB2  PRO   8           HB2      PRO   8  10.108  -4.632  -1.339
   67    HB3  PRO   8           HB1      PRO   8   9.633  -5.803  -2.583
   68    HG2  PRO   8           HG2      PRO   8   9.658  -2.833  -2.704
   69    HG3  PRO   8           HG1      PRO   8  10.168  -4.014  -3.927
   70    HD2  PRO   8           HD2      PRO   8   7.789  -2.763  -4.085
   71    HD3  PRO   8           HD1      PRO   8   7.996  -4.452  -4.606
   72    H    GLY   9           HN       GLY   9   7.887  -5.780   0.732
   73    HA2  GLY   9           HA2      GLY   9   8.156  -3.175   2.054
   74    HA3  GLY   9           HA1      GLY   9   6.801  -4.211   2.477
   75    H    ASP  10           HN       ASP  10   8.375  -6.656   2.168
   76    HA   ASP  10           HA       ASP  10   9.408  -6.792   4.828
   77    HB2  ASP  10           HB2      ASP  10   9.527  -8.818   2.584
   78    HB3  ASP  10           HB1      ASP  10   9.970  -9.136   4.257
   79    H    ASN  11           HN       ASN  11  10.870  -7.127   1.612
   80    HA   ASN  11           HA       ASN  11  13.412  -6.285   2.821
   81    HB2  ASN  11           HB2      ASN  11  13.587  -8.634   2.195
   82    HB3  ASN  11           HB1      ASN  11  13.041  -8.261   0.562
   83   HD21  ASN  11          HD21      ASN  11  15.679  -8.002   2.834
   84   HD22  ASN  11          HD22      ASN  11  16.890  -7.588   1.671
   85    H    ALA  12           HN       ALA  12  13.458  -4.179   2.284
   86    HA   ALA  12           HA       ALA  12  13.887  -3.470  -0.452
   87    HB1  ALA  12           HB1      ALA  12  12.050  -1.917  -0.699
   88    HB2  ALA  12           HB2      ALA  12  11.441  -2.341   0.901
   89    HB3  ALA  12           HB3      ALA  12  11.426  -3.536  -0.396
   90    H    THR  13           HN       THR  13  14.568  -1.269  -0.690
   91    HA   THR  13           HA       THR  13  15.942  -0.209   1.585
   92    HB   THR  13           HB       THR  13  16.548   1.635   0.021
   93    HG1  THR  13           HG1      THR  13  15.903   1.054  -2.275
   94   HG21  THR  13          HG21      THR  13  16.901  -1.142  -1.099
   95   HG22  THR  13          HG22      THR  13  17.900  -0.404   0.153
   96   HG23  THR  13          HG23      THR  13  17.898   0.264  -1.480
   97    HA   PRO  14           HA       PRO  14  12.907   2.509   3.278
   98    HB2  PRO  14           HB2      PRO  14  14.387   4.849   3.532
   99    HB3  PRO  14           HB1      PRO  14  14.402   3.513   4.696
  100    HG2  PRO  14           HG2      PRO  14  16.328   4.158   2.535
  101    HG3  PRO  14           HG1      PRO  14  16.621   3.538   4.181
  102    HD2  PRO  14           HD2      PRO  14  16.738   1.906   2.060
  103    HD3  PRO  14           HD1      PRO  14  16.068   1.356   3.609
  104    H    GLU  15           HN       GLU  15  14.797   3.623   0.548
  105    HA   GLU  15           HA       GLU  15  13.150   5.738  -0.293
  106    HB2  GLU  15           HB2      GLU  15  15.407   5.405  -1.154
  107    HB3  GLU  15           HB1      GLU  15  14.926   3.880  -1.886
  108    HG2  GLU  15           HG2      GLU  15  13.319   5.161  -3.311
  109    HG3  GLU  15           HG1      GLU  15  14.022   6.641  -2.659
  110    H    LYS  16           HN       LYS  16  13.206   2.305  -1.133
  111    HA   LYS  16           HA       LYS  16  10.962   2.525  -2.909
  112    HB2  LYS  16           HB2      LYS  16  12.852   0.896  -3.191
  113    HB3  LYS  16           HB1      LYS  16  12.252   0.038  -1.780
  114    HG2  LYS  16           HG2      LYS  16  10.183  -0.470  -2.923
  115    HG3  LYS  16           HG1      LYS  16  10.697   0.476  -4.320
  116    HD2  LYS  16           HD2      LYS  16  12.088  -1.988  -3.269
  117    HD3  LYS  16           HD1      LYS  16  11.005  -1.946  -4.659
  118    HE2  LYS  16           HE2      LYS  16  13.622  -0.461  -4.402
  119    HE3  LYS  16           HE1      LYS  16  13.353  -1.923  -5.347
  120    HZ1  LYS  16           HZ1      LYS  16  12.044   0.701  -5.819
  121    HZ2  LYS  16           HZ2      LYS  16  11.794  -0.701  -6.730
  122    HZ3  LYS  16           HZ3      LYS  16  13.307   0.050  -6.733
  123    H    LEU  17           HN       LEU  17  11.541   1.499   0.396
  124    HA   LEU  17           HA       LEU  17   9.017   0.446   0.973
  125    HB2  LEU  17           HB2      LEU  17  11.057   1.823   2.692
  126    HB3  LEU  17           HB1      LEU  17   9.574   1.167   3.349
  127    HG   LEU  17           HG       LEU  17  11.730  -0.407   1.940
  128   HD11  LEU  17          HD11      LEU  17  12.381   0.386   4.167
  129   HD12  LEU  17          HD12      LEU  17  12.171  -1.362   4.126
  130   HD13  LEU  17          HD13      LEU  17  10.927  -0.342   4.844
  131   HD21  LEU  17          HD21      LEU  17   9.589  -1.401   1.515
  132   HD22  LEU  17          HD22      LEU  17   9.136  -1.259   3.214
  133   HD23  LEU  17          HD23      LEU  17  10.423  -2.364   2.734
  134    H    ALA  18           HN       ALA  18  10.181   3.757   0.872
  135    HA   ALA  18           HA       ALA  18   7.992   5.009   2.077
  136    HB1  ALA  18           HB1      ALA  18   9.741   6.043  -0.145
  137    HB2  ALA  18           HB2      ALA  18  10.090   6.158   1.580
  138    HB3  ALA  18           HB3      ALA  18   8.708   7.017   0.901
  139    H    LYS  19           HN       LYS  19   8.575   3.979  -1.235
  140    HA   LYS  19           HA       LYS  19   6.177   5.024  -2.312
  141    HB2  LYS  19           HB2      LYS  19   8.124   4.412  -3.694
  142    HB3  LYS  19           HB1      LYS  19   7.875   2.721  -3.287
  143    HG2  LYS  19           HG2      LYS  19   5.830   2.644  -4.486
  144    HG3  LYS  19           HG1      LYS  19   5.814   4.395  -4.687
  145    HD2  LYS  19           HD2      LYS  19   6.482   3.262  -6.746
  146    HD3  LYS  19           HD1      LYS  19   7.779   4.269  -6.110
  147    HE2  LYS  19           HE2      LYS  19   8.849   2.288  -5.155
  148    HE3  LYS  19           HE1      LYS  19   7.546   1.279  -5.782
  149    HZ1  LYS  19           HZ1      LYS  19   9.403   2.908  -7.431
  150    HZ2  LYS  19           HZ2      LYS  19   8.171   1.912  -8.021
  151    HZ3  LYS  19           HZ3      LYS  19   9.495   1.232  -7.217
  152    H    TYR  20           HN       TYR  20   7.060   1.945  -0.854
  153    HA   TYR  20           HA       TYR  20   4.611   0.608  -1.236
  154    HB2  TYR  20           HB2      TYR  20   6.614  -0.577  -0.502
  155    HB3  TYR  20           HB1      TYR  20   6.642   0.347   0.997
  156    HD1  TYR  20           HD1      TYR  20   4.826  -2.257  -0.883
  157    HD2  TYR  20           HD2      TYR  20   5.268  -0.281   2.856
  158    HE1  TYR  20           HE1      TYR  20   3.422  -3.970   0.180
  159    HE2  TYR  20           HE2      TYR  20   3.864  -1.991   3.930
  160    HH   TYR  20           HH       TYR  20   2.135  -3.615   3.315
  161    H    GLN  21           HN       GLN  21   5.801   2.681   1.374
  162    HA   GLN  21           HA       GLN  21   3.552   2.513   3.049
  163    HB2  GLN  21           HB2      GLN  21   5.588   4.716   2.694
  164    HB3  GLN  21           HB1      GLN  21   4.397   4.680   3.985
  165    HG2  GLN  21           HG2      GLN  21   5.365   2.741   4.943
  166    HG3  GLN  21           HG1      GLN  21   6.397   2.487   3.537
  167   HE21  GLN  21          HE21      GLN  21   8.263   2.497   4.795
  168   HE22  GLN  21          HE22      GLN  21   8.907   3.954   5.468
  169    H    ALA  22           HN       ALA  22   4.311   4.617   0.342
  170    HA   ALA  22           HA       ALA  22   2.084   6.333   0.638
  171    HB1  ALA  22           HB1      ALA  22   4.038   6.975  -0.650
  172    HB2  ALA  22           HB2      ALA  22   2.591   7.027  -1.661
  173    HB3  ALA  22           HB3      ALA  22   3.722   5.679  -1.803
  174    H    ASP  23           HN       ASP  23   2.600   3.305  -1.083
  175    HA   ASP  23           HA       ASP  23   0.057   3.396  -2.416
  176    HB2  ASP  23           HB2      ASP  23   2.120   2.137  -3.233
  177    HB3  ASP  23           HB1      ASP  23   1.763   0.935  -1.991
  178    H    LEU  24           HN       LEU  24   1.370   1.950   0.498
  179    HA   LEU  24           HA       LEU  24  -0.937   0.528   1.302
  180    HB2  LEU  24           HB2      LEU  24   1.352   0.229   2.259
  181    HB3  LEU  24           HB1      LEU  24   1.208   1.796   3.022
  182    HG   LEU  24           HG       LEU  24   0.837  -0.313   4.446
  183   HD11  LEU  24          HD11      LEU  24  -1.192   1.907   4.466
  184   HD12  LEU  24          HD12      LEU  24   0.389   1.930   5.246
  185   HD13  LEU  24          HD13      LEU  24  -0.855   0.810   5.805
  186   HD21  LEU  24          HD21      LEU  24  -0.690  -1.439   2.893
  187   HD22  LEU  24          HD22      LEU  24  -1.864  -0.144   3.124
  188   HD23  LEU  24          HD23      LEU  24  -1.426  -1.187   4.475
  189    H    ALA  25           HN       ALA  25   0.122   3.862   1.785
  190    HA   ALA  25           HA       ALA  25  -2.013   4.732   3.391
  191    HB1  ALA  25           HB1      ALA  25   0.054   6.011   3.002
  192    HB2  ALA  25           HB2      ALA  25  -1.398   6.965   2.703
  193    HB3  ALA  25           HB3      ALA  25  -0.471   6.319   1.347
  194    H    LYS  26           HN       LYS  26  -1.629   4.463  -0.087
  195    HA   LYS  26           HA       LYS  26  -4.082   5.577  -0.900
  196    HB2  LYS  26           HB2      LYS  26  -2.202   5.081  -2.419
  197    HB3  LYS  26           HB1      LYS  26  -2.451   3.363  -2.164
  198    HG2  LYS  26           HG2      LYS  26  -4.803   3.755  -3.094
  199    HG3  LYS  26           HG1      LYS  26  -4.169   5.302  -3.662
  200    HD2  LYS  26           HD2      LYS  26  -3.093   2.566  -4.337
  201    HD3  LYS  26           HD1      LYS  26  -3.987   3.634  -5.416
  202    HE2  LYS  26           HE2      LYS  26  -2.211   5.213  -5.459
  203    HE3  LYS  26           HE1      LYS  26  -1.372   4.400  -4.140
  204    HZ1  LYS  26           HZ1      LYS  26  -0.451   3.967  -6.395
  205    HZ2  LYS  26           HZ2      LYS  26  -1.869   3.135  -6.773
  206    HZ3  LYS  26           HZ3      LYS  26  -0.861   2.571  -5.530
  207    H    TYR  27           HN       TYR  27  -3.124   2.323   0.032
  208    HA   TYR  27           HA       TYR  27  -5.534   0.983  -0.456
  209    HB2  TYR  27           HB2      TYR  27  -3.426  -0.180  -0.005
  210    HB3  TYR  27           HB1      TYR  27  -3.402   0.463   1.627
  211    HD1  TYR  27           HD1      TYR  27  -5.080  -1.924  -0.635
  212    HD2  TYR  27           HD2      TYR  27  -4.663  -0.560   3.373
  213    HE1  TYR  27           HE1      TYR  27  -6.316  -3.894   0.163
  214    HE2  TYR  27           HE2      TYR  27  -5.890  -2.524   4.180
  215    HH   TYR  27           HH       TYR  27  -6.457  -5.234   2.324
  216    H    GLN  28           HN       GLN  28  -4.385   2.770   2.365
  217    HA   GLN  28           HA       GLN  28  -6.519   2.205   4.095
  218    HB2  GLN  28           HB2      GLN  28  -4.760   4.661   3.928
  219    HB3  GLN  28           HB1      GLN  28  -5.878   4.335   5.244
  220    HG2  GLN  28           HG2      GLN  28  -4.616   2.281   5.775
  221    HG3  GLN  28           HG1      GLN  28  -3.467   2.686   4.495
  222   HE21  GLN  28          HE21      GLN  28  -1.753   2.848   5.985
  223   HE22  GLN  28          HE22      GLN  28  -1.610   4.186   7.065
  224    H    LYS  29           HN       LYS  29  -6.105   4.661   1.613
  225    HA   LYS  29           HA       LYS  29  -8.230   6.332   2.324
  226    HB2  LYS  29           HB2      LYS  29  -6.431   6.955   0.750
  227    HB3  LYS  29           HB1      LYS  29  -7.093   5.837  -0.436
  228    HG2  LYS  29           HG2      LYS  29  -9.173   7.149  -0.476
  229    HG3  LYS  29           HG1      LYS  29  -8.456   8.287   0.662
  230    HD2  LYS  29           HD2      LYS  29  -7.384   7.654  -2.089
  231    HD3  LYS  29           HD1      LYS  29  -8.333   9.079  -1.666
  232    HE2  LYS  29           HE2      LYS  29  -6.570   9.726  -0.057
  233    HE3  LYS  29           HE1      LYS  29  -5.615   8.342  -0.587
  234    HZ1  LYS  29           HZ1      LYS  29  -4.909  10.353  -1.700
  235    HZ2  LYS  29           HZ2      LYS  29  -6.467  10.619  -2.289
  236    HZ3  LYS  29           HZ3      LYS  29  -5.581   9.283  -2.820
  237    H    ASP  30           HN       ASP  30  -8.117   3.736  -0.110
  238    HA   ASP  30           HA       ASP  30 -10.908   3.810  -0.643
  239    HB2  ASP  30           HB2      ASP  30  -8.688   1.927  -1.303
  240    HB3  ASP  30           HB1      ASP  30 -10.354   1.389  -1.520
  241    H    LEU  31           HN       LEU  31  -8.919   2.014   1.623
  242    HA   LEU  31           HA       LEU  31 -10.849   0.121   2.431
  243    HB2  LEU  31           HB2      LEU  31  -8.417  -0.031   2.935
  244    HB3  LEU  31           HB1      LEU  31  -8.588   1.305   4.055
  245    HG   LEU  31           HG       LEU  31 -10.107  -0.073   5.437
  246   HD11  LEU  31          HD11      LEU  31 -10.166  -2.509   5.032
  247   HD12  LEU  31          HD12      LEU  31  -9.377  -2.244   3.477
  248   HD13  LEU  31          HD13      LEU  31 -10.985  -1.583   3.775
  249   HD21  LEU  31          HD21      LEU  31  -8.353  -1.546   6.317
  250   HD22  LEU  31          HD22      LEU  31  -7.749   0.074   5.968
  251   HD23  LEU  31          HD23      LEU  31  -7.398  -1.255   4.864
  252    H    ALA  32           HN       ALA  32 -10.192   3.409   3.441
  253    HA   ALA  32           HA       ALA  32 -11.771   3.525   5.737
  254    HB1  ALA  32           HB1      ALA  32 -10.192   5.275   5.073
  255    HB2  ALA  32           HB2      ALA  32 -11.797   5.930   5.398
  256    HB3  ALA  32           HB3      ALA  32 -11.254   5.711   3.733
  257    H    ASP  33           HN       ASP  33 -12.574   3.845   2.344
  258    HA   ASP  33           HA       ASP  33 -15.321   4.536   2.894
  259    HB2  ASP  33           HB2      ASP  33 -14.264   5.474   0.904
  260    HB3  ASP  33           HB1      ASP  33 -13.939   3.857   0.285
  261    H    TYR  34           HN       TYR  34 -13.609   1.764   1.469
  262    HA   TYR  34           HA       TYR  34 -16.021   0.149   1.952
  263    HB2  TYR  34           HB2      TYR  34 -15.469   0.391  -0.432
  264    HB3  TYR  34           HB1      TYR  34 -13.858  -0.247  -0.124
  265    HD1  TYR  34           HD1      TYR  34 -17.454  -1.108  -0.193
  266    HD2  TYR  34           HD2      TYR  34 -13.476  -2.576   0.036
  267    HE1  TYR  34           HE1      TYR  34 -18.279  -3.387  -0.586
  268    HE2  TYR  34           HE2      TYR  34 -14.282  -4.854  -0.365
  269    HH   TYR  34           HH       TYR  34 -17.468  -5.534  -1.401
  270    HN1  NH2  35           HN1      NH2  35 -15.647  -0.741   3.878
  271    HN2  NH2  35           HN2      NH2  35 -14.258  -1.680   4.293
  Start of MODEL    6
    1    H1   ACE   0           HA1      ACE   0 -13.669  -1.778  -3.633
    2    H2   ACE   0           HA2      ACE   0 -14.426  -2.601  -2.270
    3    H3   ACE   0           HA3      ACE   0 -15.275  -2.545  -3.812
    4    HA   PRO   1           HA       PRO   1 -12.808  -3.748  -1.000
    5    HB2  PRO   1           HB2      PRO   1 -11.063  -5.957  -0.905
    6    HB3  PRO   1           HB1      PRO   1 -12.617  -5.822  -0.066
    7    HG2  PRO   1           HG2      PRO   1 -11.964  -7.194  -2.606
    8    HG3  PRO   1           HG1      PRO   1 -13.128  -7.633  -1.337
    9    HD2  PRO   1           HD2      PRO   1 -13.956  -6.572  -3.658
   10    HD3  PRO   1           HD1      PRO   1 -14.742  -6.152  -2.119
   11    HA   PRO   2           HA       PRO   2  -9.322  -1.718  -2.785
   12    HB2  PRO   2           HB2      PRO   2  -7.760  -1.478  -0.507
   13    HB3  PRO   2           HB1      PRO   2  -9.097  -0.390  -0.934
   14    HG2  PRO   2           HG2      PRO   2  -9.067  -2.688   0.948
   15    HG3  PRO   2           HG1      PRO   2  -9.861  -1.112   1.097
   16    HD2  PRO   2           HD2      PRO   2 -11.254  -3.297   0.428
   17    HD3  PRO   2           HD1      PRO   2 -11.628  -1.712  -0.278
   18    H    THR   3           HN       THR   3  -7.282  -2.155  -3.560
   19    HA   THR   3           HA       THR   3  -6.445  -4.914  -3.315
   20    HB   THR   3           HB       THR   3  -5.168  -2.772  -5.006
   21    HG1  THR   3           HG1      THR   3  -7.520  -4.306  -5.406
   22   HG21  THR   3          HG21      THR   3  -3.915  -4.868  -4.755
   23   HG22  THR   3          HG22      THR   3  -4.508  -4.668  -6.404
   24   HG23  THR   3          HG23      THR   3  -5.327  -5.773  -5.300
   25    H    LYS   4           HN       LYS   4  -4.930  -5.569  -1.954
   26    HA   LYS   4           HA       LYS   4  -3.466  -3.798  -0.305
   27    HB2  LYS   4           HB2      LYS   4  -3.098  -6.743  -0.867
   28    HB3  LYS   4           HB1      LYS   4  -2.206  -5.861   0.368
   29    HG2  LYS   4           HG2      LYS   4  -4.311  -5.343   1.506
   30    HG3  LYS   4           HG1      LYS   4  -5.191  -6.245   0.276
   31    HD2  LYS   4           HD2      LYS   4  -3.104  -7.366   2.141
   32    HD3  LYS   4           HD1      LYS   4  -4.848  -7.581   2.295
   33    HE2  LYS   4           HE2      LYS   4  -4.888  -8.751   0.146
   34    HE3  LYS   4           HE1      LYS   4  -3.147  -8.525  -0.010
   35    HZ1  LYS   4           HZ1      LYS   4  -2.844  -9.848   1.998
   36    HZ2  LYS   4           HZ2      LYS   4  -3.652 -10.723   0.803
   37    HZ3  LYS   4           HZ3      LYS   4  -4.515 -10.088   2.107
   38    HA   PRO   5           HA       PRO   5  -0.094  -2.610  -2.859
   39    HB2  PRO   5           HB2      PRO   5   1.932  -2.681  -0.954
   40    HB3  PRO   5           HB1      PRO   5   0.835  -1.314  -1.232
   41    HG2  PRO   5           HG2      PRO   5   0.711  -3.445   0.838
   42    HG3  PRO   5           HG1      PRO   5   0.323  -1.712   0.959
   43    HD2  PRO   5           HD2      PRO   5  -1.619  -3.557   0.785
   44    HD3  PRO   5           HD1      PRO   5  -1.771  -1.972  -0.018
   45    H    THR   6           HN       THR   6   0.729  -3.916  -4.301
   46    HA   THR   6           HA       THR   6   1.698  -6.553  -3.675
   47    HB   THR   6           HB       THR   6   1.908  -5.076  -6.297
   48    HG1  THR   6           HG1      THR   6  -0.222  -5.124  -6.153
   49   HG21  THR   6          HG21      THR   6   1.770  -8.024  -5.662
   50   HG22  THR   6          HG22      THR   6   3.225  -7.144  -6.128
   51   HG23  THR   6          HG23      THR   6   1.893  -7.314  -7.271
   52    H    LYS   7           HN       LYS   7   2.959  -3.426  -3.778
   53    HA   LYS   7           HA       LYS   7   5.616  -3.901  -4.578
   54    HB2  LYS   7           HB2      LYS   7   4.558  -1.804  -2.675
   55    HB3  LYS   7           HB1      LYS   7   6.120  -1.769  -3.479
   56    HG2  LYS   7           HG2      LYS   7   5.031  -1.594  -5.643
   57    HG3  LYS   7           HG1      LYS   7   3.449  -1.694  -4.864
   58    HD2  LYS   7           HD2      LYS   7   3.962   0.380  -3.620
   59    HD3  LYS   7           HD1      LYS   7   5.503   0.489  -4.474
   60    HE2  LYS   7           HE2      LYS   7   2.750   0.590  -5.706
   61    HE3  LYS   7           HE1      LYS   7   3.864   1.941  -5.516
   62    HZ1  LYS   7           HZ1      LYS   7   4.219  -0.438  -7.253
   63    HZ2  LYS   7           HZ2      LYS   7   5.431   0.705  -6.971
   64    HZ3  LYS   7           HZ3      LYS   7   3.999   1.166  -7.746
   65    HA   PRO   8           HA       PRO   8   7.305  -6.068  -1.103
   66    HB2  PRO   8           HB2      PRO   8   9.889  -5.134  -1.273
   67    HB3  PRO   8           HB1      PRO   8   9.232  -6.440  -2.279
   68    HG2  PRO   8           HG2      PRO   8   9.645  -3.580  -2.936
   69    HG3  PRO   8           HG1      PRO   8   9.870  -5.016  -3.950
   70    HD2  PRO   8           HD2      PRO   8   7.705  -3.404  -4.176
   71    HD3  PRO   8           HD1      PRO   8   7.629  -5.155  -4.484
   72    H    GLY   9           HN       GLY   9   7.387  -5.656   0.998
   73    HA2  GLY   9           HA2      GLY   9   8.003  -2.903   1.859
   74    HA3  GLY   9           HA1      GLY   9   6.695  -3.837   2.568
   75    H    ASP  10           HN       ASP  10   9.356  -5.727   1.773
   76    HA   ASP  10           HA       ASP  10  10.364  -5.583   4.530
   77    HB2  ASP  10           HB2      ASP  10   9.883  -8.080   2.896
   78    HB3  ASP  10           HB1      ASP  10  10.693  -8.044   4.458
   79    H    ASN  11           HN       ASN  11  11.134  -6.968   1.349
   80    HA   ASN  11           HA       ASN  11  13.981  -6.619   1.884
   81    HB2  ASN  11           HB2      ASN  11  14.330  -7.931  -0.155
   82    HB3  ASN  11           HB1      ASN  11  13.222  -8.763   0.930
   83   HD21  ASN  11          HD21      ASN  11  13.605  -8.960  -1.989
   84   HD22  ASN  11          HD22      ASN  11  12.043  -8.679  -2.672
   85    H    ALA  12           HN       ALA  12  12.307  -4.308   1.504
   86    HA   ALA  12           HA       ALA  12  13.201  -3.309  -1.102
   87    HB1  ALA  12           HB1      ALA  12  11.057  -2.161   0.670
   88    HB2  ALA  12           HB2      ALA  12  10.759  -3.309  -0.634
   89    HB3  ALA  12           HB3      ALA  12  11.424  -1.715  -0.998
   90    H    THR  13           HN       THR  13  14.176  -1.300  -1.261
   91    HA   THR  13           HA       THR  13  15.879  -0.509   0.859
   92    HB   THR  13           HB       THR  13  16.379   1.435  -0.658
   93    HG1  THR  13           HG1      THR  13  15.440   1.369  -2.736
   94   HG21  THR  13          HG21      THR  13  16.481  -1.313  -1.888
   95   HG22  THR  13          HG22      THR  13  17.653  -0.643  -0.753
   96   HG23  THR  13          HG23      THR  13  17.477   0.065  -2.359
   97    HA   PRO  14           HA       PRO  14  13.564   2.341   3.261
   98    HB2  PRO  14           HB2      PRO  14  15.238   4.578   3.198
   99    HB3  PRO  14           HB1      PRO  14  15.386   3.219   4.324
  100    HG2  PRO  14           HG2      PRO  14  16.868   3.764   1.817
  101    HG3  PRO  14           HG1      PRO  14  17.436   3.059   3.353
  102    HD2  PRO  14           HD2      PRO  14  16.969   1.501   1.234
  103    HD3  PRO  14           HD1      PRO  14  16.565   0.959   2.872
  104    H    GLU  15           HN       GLU  15  14.958   3.731   0.312
  105    HA   GLU  15           HA       GLU  15  13.099   5.860   0.122
  106    HB2  GLU  15           HB2      GLU  15  15.300   5.863  -1.001
  107    HB3  GLU  15           HB1      GLU  15  14.742   4.572  -2.060
  108    HG2  GLU  15           HG2      GLU  15  13.053   6.031  -3.006
  109    HG3  GLU  15           HG1      GLU  15  13.514   7.315  -1.889
  110    H    LYS  16           HN       LYS  16  13.177   2.575  -1.103
  111    HA   LYS  16           HA       LYS  16  10.869   2.886  -2.766
  112    HB2  LYS  16           HB2      LYS  16  12.665   1.227  -3.220
  113    HB3  LYS  16           HB1      LYS  16  12.188   0.358  -1.768
  114    HG2  LYS  16           HG2      LYS  16  10.017  -0.116  -2.728
  115    HG3  LYS  16           HG1      LYS  16  10.424   0.830  -4.161
  116    HD2  LYS  16           HD2      LYS  16  12.299  -0.724  -4.601
  117    HD3  LYS  16           HD1      LYS  16  11.777  -1.698  -3.226
  118    HE2  LYS  16           HE2      LYS  16   9.628  -2.088  -4.306
  119    HE3  LYS  16           HE1      LYS  16  10.119  -1.081  -5.666
  120    HZ1  LYS  16           HZ1      LYS  16  10.384  -3.429  -6.157
  121    HZ2  LYS  16           HZ2      LYS  16  11.433  -3.614  -4.842
  122    HZ3  LYS  16           HZ3      LYS  16  11.884  -2.648  -6.153
  123    H    LEU  17           HN       LEU  17  11.522   1.748   0.492
  124    HA   LEU  17           HA       LEU  17   9.014   0.690   1.093
  125    HB2  LEU  17           HB2      LEU  17  11.090   2.020   2.802
  126    HB3  LEU  17           HB1      LEU  17   9.613   1.373   3.480
  127    HG   LEU  17           HG       LEU  17  11.716  -0.207   1.996
  128   HD11  LEU  17          HD11      LEU  17  12.444   0.505   4.210
  129   HD12  LEU  17          HD12      LEU  17  12.146  -1.231   4.169
  130   HD13  LEU  17          HD13      LEU  17  10.969  -0.151   4.917
  131   HD21  LEU  17          HD21      LEU  17  10.398  -2.159   2.778
  132   HD22  LEU  17          HD22      LEU  17   9.555  -1.164   1.595
  133   HD23  LEU  17          HD23      LEU  17   9.134  -1.046   3.303
  134    H    ALA  18           HN       ALA  18  10.136   3.998   0.973
  135    HA   ALA  18           HA       ALA  18   7.936   5.211   2.227
  136    HB1  ALA  18           HB1      ALA  18  10.037   6.382   1.771
  137    HB2  ALA  18           HB2      ALA  18   8.650   7.252   1.117
  138    HB3  ALA  18           HB3      ALA  18   9.693   6.317   0.044
  139    H    LYS  19           HN       LYS  19   8.547   4.233  -1.100
  140    HA   LYS  19           HA       LYS  19   6.125   5.260  -2.173
  141    HB2  LYS  19           HB2      LYS  19   8.129   4.685  -3.534
  142    HB3  LYS  19           HB1      LYS  19   7.834   2.985  -3.203
  143    HG2  LYS  19           HG2      LYS  19   5.675   3.141  -4.353
  144    HG3  LYS  19           HG1      LYS  19   5.990   4.841  -4.700
  145    HD2  LYS  19           HD2      LYS  19   7.682   2.523  -5.634
  146    HD3  LYS  19           HD1      LYS  19   6.494   3.377  -6.618
  147    HE2  LYS  19           HE2      LYS  19   8.950   4.609  -5.368
  148    HE3  LYS  19           HE1      LYS  19   8.791   4.137  -7.057
  149    HZ1  LYS  19           HZ1      LYS  19   7.170   6.205  -5.674
  150    HZ2  LYS  19           HZ2      LYS  19   6.996   5.746  -7.292
  151    HZ3  LYS  19           HZ3      LYS  19   8.420   6.496  -6.776
  152    H    TYR  20           HN       TYR  20   7.111   2.187  -0.794
  153    HA   TYR  20           HA       TYR  20   4.740   0.747  -1.222
  154    HB2  TYR  20           HB2      TYR  20   6.727  -0.406  -0.513
  155    HB3  TYR  20           HB1      TYR  20   6.842   0.574   0.945
  156    HD1  TYR  20           HD1      TYR  20   4.739  -1.997  -0.726
  157    HD2  TYR  20           HD2      TYR  20   5.837  -0.130   2.938
  158    HE1  TYR  20           HE1      TYR  20   3.463  -3.692   0.519
  159    HE2  TYR  20           HE2      TYR  20   4.568  -1.818   4.188
  160    HH   TYR  20           HH       TYR  20   3.423  -4.676   2.772
  161    H    GLN  21           HN       GLN  21   5.780   2.812   1.469
  162    HA   GLN  21           HA       GLN  21   3.465   2.529   3.041
  163    HB2  GLN  21           HB2      GLN  21   5.452   4.793   2.837
  164    HB3  GLN  21           HB1      GLN  21   4.176   4.727   4.042
  165    HG2  GLN  21           HG2      GLN  21   5.114   2.690   4.964
  166    HG3  GLN  21           HG1      GLN  21   6.363   2.686   3.719
  167   HE21  GLN  21          HE21      GLN  21   8.001   2.759   5.269
  168   HE22  GLN  21          HE22      GLN  21   8.359   4.204   6.150
  169    H    ALA  22           HN       ALA  22   4.277   4.686   0.394
  170    HA   ALA  22           HA       ALA  22   2.047   6.384   0.588
  171    HB1  ALA  22           HB1      ALA  22   3.648   5.627  -1.851
  172    HB2  ALA  22           HB2      ALA  22   4.029   6.932  -0.729
  173    HB3  ALA  22           HB3      ALA  22   2.567   7.014  -1.713
  174    H    ASP  23           HN       ASP  23   2.549   3.305  -1.071
  175    HA   ASP  23           HA       ASP  23  -0.032   3.395  -2.331
  176    HB2  ASP  23           HB2      ASP  23   1.996   2.146  -3.241
  177    HB3  ASP  23           HB1      ASP  23   1.669   0.923  -2.007
  178    H    LEU  24           HN       LEU  24   1.346   1.981   0.557
  179    HA   LEU  24           HA       LEU  24  -0.915   0.491   1.370
  180    HB2  LEU  24           HB2      LEU  24   1.366   0.270   2.354
  181    HB3  LEU  24           HB1      LEU  24   1.184   1.852   3.074
  182    HG   LEU  24           HG       LEU  24   0.858  -0.224   4.554
  183   HD11  LEU  24          HD11      LEU  24   0.367   2.016   5.308
  184   HD12  LEU  24          HD12      LEU  24  -0.874   0.897   5.875
  185   HD13  LEU  24          HD13      LEU  24  -1.204   1.964   4.509
  186   HD21  LEU  24          HD21      LEU  24  -0.611  -1.491   3.127
  187   HD22  LEU  24          HD22      LEU  24  -1.789  -0.182   3.119
  188   HD23  LEU  24          HD23      LEU  24  -1.464  -1.064   4.610
  189    H    ALA  25           HN       ALA  25   0.037   3.858   1.812
  190    HA   ALA  25           HA       ALA  25  -2.126   4.696   3.390
  191    HB1  ALA  25           HB1      ALA  25  -1.604   6.937   2.595
  192    HB2  ALA  25           HB2      ALA  25  -0.601   6.255   1.313
  193    HB3  ALA  25           HB3      ALA  25  -0.132   6.054   3.001
  194    H    LYS  26           HN       LYS  26  -1.732   4.386  -0.095
  195    HA   LYS  26           HA       LYS  26  -4.215   5.421  -0.904
  196    HB2  LYS  26           HB2      LYS  26  -2.367   4.953  -2.464
  197    HB3  LYS  26           HB1      LYS  26  -2.550   3.233  -2.170
  198    HG2  LYS  26           HG2      LYS  26  -4.813   3.331  -3.136
  199    HG3  LYS  26           HG1      LYS  26  -4.559   5.042  -3.493
  200    HD2  LYS  26           HD2      LYS  26  -2.659   4.470  -4.916
  201    HD3  LYS  26           HD1      LYS  26  -2.886   2.761  -4.545
  202    HE2  LYS  26           HE2      LYS  26  -4.876   4.539  -5.950
  203    HE3  LYS  26           HE1      LYS  26  -3.822   3.360  -6.731
  204    HZ1  LYS  26           HZ1      LYS  26  -6.007   2.442  -6.421
  205    HZ2  LYS  26           HZ2      LYS  26  -5.966   2.772  -4.766
  206    HZ3  LYS  26           HZ3      LYS  26  -4.916   1.622  -5.423
  207    H    TYR  27           HN       TYR  27  -3.191   2.181   0.031
  208    HA   TYR  27           HA       TYR  27  -5.618   0.849  -0.410
  209    HB2  TYR  27           HB2      TYR  27  -3.572  -0.402  -0.049
  210    HB3  TYR  27           HB1      TYR  27  -3.395   0.279   1.559
  211    HD1  TYR  27           HD1      TYR  27  -5.346  -2.080  -0.496
  212    HD2  TYR  27           HD2      TYR  27  -4.583  -0.635   3.429
  213    HE1  TYR  27           HE1      TYR  27  -6.580  -3.983   0.437
  214    HE2  TYR  27           HE2      TYR  27  -5.826  -2.532   4.374
  215    HH   TYR  27           HH       TYR  27  -7.593  -4.134   3.652
  216    H    GLN  28           HN       GLN  28  -4.351   2.433   2.518
  217    HA   GLN  28           HA       GLN  28  -6.528   1.766   4.172
  218    HB2  GLN  28           HB2      GLN  28  -4.628   4.111   4.369
  219    HB3  GLN  28           HB1      GLN  28  -5.751   3.623   5.631
  220    HG2  GLN  28           HG2      GLN  28  -4.601   1.399   5.684
  221    HG3  GLN  28           HG1      GLN  28  -3.397   2.068   4.581
  222   HE21  GLN  28          HE21      GLN  28  -3.043   1.056   7.273
  223   HE22  GLN  28          HE22      GLN  28  -2.380   2.357   8.196
  224    H    LYS  29           HN       LYS  29  -5.931   4.552   2.094
  225    HA   LYS  29           HA       LYS  29  -8.179   6.055   2.867
  226    HB2  LYS  29           HB2      LYS  29  -6.284   6.970   1.566
  227    HB3  LYS  29           HB1      LYS  29  -6.789   6.015   0.179
  228    HG2  LYS  29           HG2      LYS  29  -7.507   8.310  -0.068
  229    HG3  LYS  29           HG1      LYS  29  -8.907   7.249   0.113
  230    HD2  LYS  29           HD2      LYS  29  -9.107   7.873   2.452
  231    HD3  LYS  29           HD1      LYS  29  -7.662   8.876   2.328
  232    HE2  LYS  29           HE2      LYS  29  -9.641  10.264   2.219
  233    HE3  LYS  29           HE1      LYS  29  -8.807  10.285   0.667
  234    HZ1  LYS  29           HZ1      LYS  29 -11.200   8.649   1.316
  235    HZ2  LYS  29           HZ2      LYS  29 -10.405   8.684  -0.175
  236    HZ3  LYS  29           HZ3      LYS  29 -11.194  10.065   0.392
  237    H    ASP  30           HN       ASP  30  -7.696   3.776   0.193
  238    HA   ASP  30           HA       ASP  30 -10.357   3.930  -0.770
  239    HB2  ASP  30           HB2      ASP  30  -8.332   3.069  -2.035
  240    HB3  ASP  30           HB1      ASP  30  -8.494   1.576  -1.106
  241    H    LEU  31           HN       LEU  31  -8.751   1.952   1.614
  242    HA   LEU  31           HA       LEU  31 -10.801   0.106   2.158
  243    HB2  LEU  31           HB2      LEU  31  -8.491  -0.143   2.957
  244    HB3  LEU  31           HB1      LEU  31  -8.685   1.268   3.974
  245    HG   LEU  31           HG       LEU  31 -10.385   0.047   5.300
  246   HD11  LEU  31          HD11      LEU  31 -11.180  -1.519   3.639
  247   HD12  LEU  31          HD12      LEU  31 -10.544  -2.397   5.029
  248   HD13  LEU  31          HD13      LEU  31  -9.589  -2.275   3.553
  249   HD21  LEU  31          HD21      LEU  31  -8.089   0.115   6.045
  250   HD22  LEU  31          HD22      LEU  31  -7.687  -1.265   5.025
  251   HD23  LEU  31          HD23      LEU  31  -8.779  -1.471   6.396
  252    H    ALA  32           HN       ALA  32 -10.119   3.321   3.402
  253    HA   ALA  32           HA       ALA  32 -12.167   3.466   5.318
  254    HB1  ALA  32           HB1      ALA  32 -11.854   5.873   5.191
  255    HB2  ALA  32           HB2      ALA  32 -10.946   5.686   3.691
  256    HB3  ALA  32           HB3      ALA  32 -10.299   5.045   5.201
  257    H    ASP  33           HN       ASP  33 -12.035   4.290   1.906
  258    HA   ASP  33           HA       ASP  33 -14.665   5.332   1.722
  259    HB2  ASP  33           HB2      ASP  33 -12.925   5.876   0.077
  260    HB3  ASP  33           HB1      ASP  33 -12.870   4.192  -0.433
  261    H    TYR  34           HN       TYR  34 -13.328   2.151   1.595
  262    HA   TYR  34           HA       TYR  34 -15.593   0.878   0.404
  263    HB2  TYR  34           HB2      TYR  34 -13.281  -0.034   0.310
  264    HB3  TYR  34           HB1      TYR  34 -13.353  -0.322   2.041
  265    HD1  TYR  34           HD1      TYR  34 -15.798  -0.982  -0.708
  266    HD2  TYR  34           HD2      TYR  34 -13.387  -2.595   2.400
  267    HE1  TYR  34           HE1      TYR  34 -16.738  -3.205  -1.137
  268    HE2  TYR  34           HE2      TYR  34 -14.323  -4.818   1.980
  269    HH   TYR  34           HH       TYR  34 -16.348  -5.811   0.993
  270    HN1  NH2  35           HN1      NH2  35 -17.475   0.787   1.397
  271    HN2  NH2  35           HN2      NH2  35 -17.734   0.494   3.079
  Start of MODEL    7
    1    H1   ACE   0           HA1      ACE   0 -13.822  -2.730  -2.365
    2    H2   ACE   0           HA2      ACE   0 -15.293  -3.513  -1.796
    3    H3   ACE   0           HA3      ACE   0 -15.091  -3.231  -3.522
    4    HA   PRO   1           HA       PRO   1 -12.622  -3.931  -0.339
    5    HB2  PRO   1           HB2      PRO   1 -11.260  -6.581  -0.177
    6    HB3  PRO   1           HB1      PRO   1 -11.790  -5.507   1.131
    7    HG2  PRO   1           HG2      PRO   1 -13.110  -7.734   0.554
    8    HG3  PRO   1           HG1      PRO   1 -13.943  -6.260   1.079
    9    HD2  PRO   1           HD2      PRO   1 -13.795  -7.469  -1.631
   10    HD3  PRO   1           HD1      PRO   1 -15.091  -6.509  -0.893
   11    HA   PRO   2           HA       PRO   2  -9.504  -2.875  -3.315
   12    HB2  PRO   2           HB2      PRO   2  -7.662  -1.847  -1.494
   13    HB3  PRO   2           HB1      PRO   2  -9.002  -0.940  -2.222
   14    HG2  PRO   2           HG2      PRO   2  -8.816  -2.211   0.453
   15    HG3  PRO   2           HG1      PRO   2  -9.599  -0.694  -0.036
   16    HD2  PRO   2           HD2      PRO   2 -11.027  -2.911   0.455
   17    HD3  PRO   2           HD1      PRO   2 -11.495  -1.768  -0.818
   18    H    THR   3           HN       THR   3  -7.575  -3.670  -4.104
   19    HA   THR   3           HA       THR   3  -6.599  -6.105  -2.948
   20    HB   THR   3           HB       THR   3  -5.371  -4.550  -5.223
   21    HG1  THR   3           HG1      THR   3  -7.771  -5.886  -5.065
   22   HG21  THR   3          HG21      THR   3  -4.014  -6.379  -4.322
   23   HG22  THR   3          HG22      THR   3  -4.591  -6.753  -5.946
   24   HG23  THR   3          HG23      THR   3  -5.365  -7.492  -4.545
   25    H    LYS   4           HN       LYS   4  -4.838  -6.385  -1.716
   26    HA   LYS   4           HA       LYS   4  -3.691  -4.163  -0.391
   27    HB2  LYS   4           HB2      LYS   4  -2.841  -7.065  -0.463
   28    HB3  LYS   4           HB1      LYS   4  -2.228  -5.863   0.674
   29    HG2  LYS   4           HG2      LYS   4  -4.408  -5.605   1.651
   30    HG3  LYS   4           HG1      LYS   4  -5.122  -6.662   0.433
   31    HD2  LYS   4           HD2      LYS   4  -4.832  -7.896   2.478
   32    HD3  LYS   4           HD1      LYS   4  -3.696  -8.508   1.273
   33    HE2  LYS   4           HE2      LYS   4  -1.937  -7.082   2.287
   34    HE3  LYS   4           HE1      LYS   4  -3.085  -6.616   3.539
   35    HZ1  LYS   4           HZ1      LYS   4  -1.669  -8.387   4.307
   36    HZ2  LYS   4           HZ2      LYS   4  -2.109  -9.364   2.998
   37    HZ3  LYS   4           HZ3      LYS   4  -3.258  -8.954   4.170
   38    HA   PRO   5           HA       PRO   5  -0.319  -2.929  -2.950
   39    HB2  PRO   5           HB2      PRO   5   1.698  -2.767  -1.041
   40    HB3  PRO   5           HB1      PRO   5   0.518  -1.489  -1.396
   41    HG2  PRO   5           HG2      PRO   5   0.501  -3.525   0.777
   42    HG3  PRO   5           HG1      PRO   5   0.037  -1.806   0.823
   43    HD2  PRO   5           HD2      PRO   5  -1.832  -3.710   0.735
   44    HD3  PRO   5           HD1      PRO   5  -2.026  -2.198  -0.186
   45    H    THR   6           HN       THR   6   0.667  -4.222  -4.317
   46    HA   THR   6           HA       THR   6   1.626  -6.822  -3.564
   47    HB   THR   6           HB       THR   6   2.021  -5.486  -6.227
   48    HG1  THR   6           HG1      THR   6  -0.264  -7.014  -5.466
   49   HG21  THR   6          HG21      THR   6   1.841  -7.793  -7.064
   50   HG22  THR   6          HG22      THR   6   1.651  -8.368  -5.407
   51   HG23  THR   6          HG23      THR   6   3.164  -7.616  -5.914
   52    H    LYS   7           HN       LYS   7   2.955  -3.683  -3.884
   53    HA   LYS   7           HA       LYS   7   5.616  -4.328  -4.529
   54    HB2  LYS   7           HB2      LYS   7   4.334  -1.968  -3.181
   55    HB3  LYS   7           HB1      LYS   7   6.080  -2.084  -3.318
   56    HG2  LYS   7           HG2      LYS   7   5.867  -2.254  -5.763
   57    HG3  LYS   7           HG1      LYS   7   4.117  -2.071  -5.609
   58    HD2  LYS   7           HD2      LYS   7   6.044  -0.036  -4.515
   59    HD3  LYS   7           HD1      LYS   7   5.477   0.018  -6.183
   60    HE2  LYS   7           HE2      LYS   7   3.660  -0.010  -3.783
   61    HE3  LYS   7           HE1      LYS   7   4.196   1.459  -4.595
   62    HZ1  LYS   7           HZ1      LYS   7   3.144   0.678  -6.626
   63    HZ2  LYS   7           HZ2      LYS   7   2.012   0.763  -5.369
   64    HZ3  LYS   7           HZ3      LYS   7   2.636  -0.736  -5.850
   65    HA   PRO   8           HA       PRO   8   7.275  -6.251  -0.989
   66    HB2  PRO   8           HB2      PRO   8   9.766  -5.076  -0.873
   67    HB3  PRO   8           HB1      PRO   8   9.324  -6.381  -1.988
   68    HG2  PRO   8           HG2      PRO   8   9.472  -3.448  -2.484
   69    HG3  PRO   8           HG1      PRO   8   9.985  -4.795  -3.523
   70    HD2  PRO   8           HD2      PRO   8   7.681  -3.489  -3.966
   71    HD3  PRO   8           HD1      PRO   8   7.822  -5.240  -4.240
   72    H    GLY   9           HN       GLY   9   7.224  -5.997   1.143
   73    HA2  GLY   9           HA2      GLY   9   7.043  -3.241   2.177
   74    HA3  GLY   9           HA1      GLY   9   6.233  -4.632   2.882
   75    H    ASP  10           HN       ASP  10   8.811  -6.184   2.405
   76    HA   ASP  10           HA       ASP  10  10.365  -5.031   4.627
   77    HB2  ASP  10           HB2      ASP  10   9.711  -7.936   4.116
   78    HB3  ASP  10           HB1      ASP  10  10.944  -7.405   5.253
   79    H    ASN  11           HN       ASN  11  10.382  -6.913   1.682
   80    HA   ASN  11           HA       ASN  11  13.287  -6.908   1.551
   81    HB2  ASN  11           HB2      ASN  11  12.024  -8.939   0.893
   82    HB3  ASN  11           HB1      ASN  11  11.256  -8.022  -0.398
   83   HD21  ASN  11          HD21      ASN  11  12.061  -9.159  -2.097
   84   HD22  ASN  11          HD22      ASN  11  13.742  -9.215  -2.507
   85    H    ALA  12           HN       ALA  12  12.947  -4.427   1.537
   86    HA   ALA  12           HA       ALA  12  13.250  -3.548  -1.208
   87    HB1  ALA  12           HB1      ALA  12  11.168  -2.244   0.530
   88    HB2  ALA  12           HB2      ALA  12  10.806  -3.417  -0.732
   89    HB3  ALA  12           HB3      ALA  12  11.547  -1.876  -1.153
   90    H    THR  13           HN       THR  13  13.932  -1.282  -1.333
   91    HA   THR  13           HA       THR  13  15.819  -0.619   0.733
   92    HB   THR  13           HB       THR  13  16.363   1.307  -0.713
   93    HG1  THR  13           HG1      THR  13  14.600   0.355  -2.683
   94   HG21  THR  13          HG21      THR  13  17.163   0.029  -2.642
   95   HG22  THR  13          HG22      THR  13  16.093  -1.304  -2.195
   96   HG23  THR  13          HG23      THR  13  17.424  -0.846  -1.132
   97    HA   PRO  14           HA       PRO  14  13.439   2.249   3.143
   98    HB2  PRO  14           HB2      PRO  14  15.210   4.387   3.261
   99    HB3  PRO  14           HB1      PRO  14  15.281   2.967   4.317
  100    HG2  PRO  14           HG2      PRO  14  16.847   3.586   1.875
  101    HG3  PRO  14           HG1      PRO  14  17.360   2.812   3.397
  102    HD2  PRO  14           HD2      PRO  14  16.902   1.351   1.197
  103    HD3  PRO  14           HD1      PRO  14  16.473   0.748   2.808
  104    H    GLU  15           HN       GLU  15  15.010   3.394   0.231
  105    HA   GLU  15           HA       GLU  15  13.483   5.719  -0.199
  106    HB2  GLU  15           HB2      GLU  15  15.594   5.283  -1.351
  107    HB3  GLU  15           HB1      GLU  15  14.885   3.892  -2.160
  108    HG2  GLU  15           HG2      GLU  15  13.244   5.478  -3.224
  109    HG3  GLU  15           HG1      GLU  15  14.216   6.794  -2.563
  110    H    LYS  16           HN       LYS  16  13.091   2.366  -1.220
  111    HA   LYS  16           HA       LYS  16  10.769   2.904  -2.811
  112    HB2  LYS  16           HB2      LYS  16  12.414   1.060  -3.270
  113    HB3  LYS  16           HB1      LYS  16  11.805   0.240  -1.838
  114    HG2  LYS  16           HG2      LYS  16  10.797  -0.706  -3.806
  115    HG3  LYS  16           HG1      LYS  16   9.568   0.154  -2.874
  116    HD2  LYS  16           HD2      LYS  16   9.703   2.046  -4.365
  117    HD3  LYS  16           HD1      LYS  16  11.036   1.299  -5.244
  118    HE2  LYS  16           HE2      LYS  16   9.544  -0.527  -5.924
  119    HE3  LYS  16           HE1      LYS  16   8.214   0.250  -5.065
  120    HZ1  LYS  16           HZ1      LYS  16   8.191   0.726  -7.449
  121    HZ2  LYS  16           HZ2      LYS  16   9.712   1.452  -7.329
  122    HZ3  LYS  16           HZ3      LYS  16   8.385   2.137  -6.536
  123    H    LEU  17           HN       LEU  17  11.426   1.617   0.402
  124    HA   LEU  17           HA       LEU  17   8.846   0.757   1.025
  125    HB2  LEU  17           HB2      LEU  17  11.085   1.754   2.751
  126    HB3  LEU  17           HB1      LEU  17   9.573   1.185   3.424
  127    HG   LEU  17           HG       LEU  17  11.504  -0.436   1.766
  128   HD11  LEU  17          HD11      LEU  17  10.781  -0.566   4.686
  129   HD12  LEU  17          HD12      LEU  17  12.305   0.018   4.016
  130   HD13  LEU  17          HD13      LEU  17  11.855  -1.679   3.836
  131   HD21  LEU  17          HD21      LEU  17  10.025  -2.332   2.408
  132   HD22  LEU  17          HD22      LEU  17   9.276  -1.180   1.306
  133   HD23  LEU  17          HD23      LEU  17   8.861  -1.157   3.020
  134    H    ALA  18           HN       ALA  18  10.282   3.946   1.113
  135    HA   ALA  18           HA       ALA  18   8.269   5.262   2.553
  136    HB1  ALA  18           HB1      ALA  18   9.119   7.299   1.535
  137    HB2  ALA  18           HB2      ALA  18  10.012   6.344   0.350
  138    HB3  ALA  18           HB3      ALA  18  10.445   6.260   2.058
  139    H    LYS  19           HN       LYS  19   8.606   4.504  -0.880
  140    HA   LYS  19           HA       LYS  19   6.167   5.816  -1.609
  141    HB2  LYS  19           HB2      LYS  19   8.071   5.433  -3.187
  142    HB3  LYS  19           HB1      LYS  19   7.693   3.718  -3.159
  143    HG2  LYS  19           HG2      LYS  19   6.780   4.793  -5.143
  144    HG3  LYS  19           HG1      LYS  19   5.493   4.172  -4.107
  145    HD2  LYS  19           HD2      LYS  19   5.139   6.421  -3.203
  146    HD3  LYS  19           HD1      LYS  19   6.429   7.040  -4.233
  147    HE2  LYS  19           HE2      LYS  19   3.901   5.727  -5.222
  148    HE3  LYS  19           HE1      LYS  19   4.165   7.466  -5.136
  149    HZ1  LYS  19           HZ1      LYS  19   5.996   7.232  -6.688
  150    HZ2  LYS  19           HZ2      LYS  19   4.575   6.613  -7.356
  151    HZ3  LYS  19           HZ3      LYS  19   5.758   5.561  -6.767
  152    H    TYR  20           HN       TYR  20   7.121   2.593  -0.647
  153    HA   TYR  20           HA       TYR  20   4.729   1.237  -1.208
  154    HB2  TYR  20           HB2      TYR  20   6.710   0.008  -0.567
  155    HB3  TYR  20           HB1      TYR  20   6.755   0.820   0.995
  156    HD1  TYR  20           HD1      TYR  20   4.711  -1.523  -1.052
  157    HD2  TYR  20           HD2      TYR  20   5.648  -0.097   2.848
  158    HE1  TYR  20           HE1      TYR  20   3.364  -3.327  -0.069
  159    HE2  TYR  20           HE2      TYR  20   4.299  -1.899   3.837
  160    HH   TYR  20           HH       TYR  20   3.165  -4.553   2.005
  161    H    GLN  21           HN       GLN  21   5.761   3.146   1.580
  162    HA   GLN  21           HA       GLN  21   3.470   2.781   3.164
  163    HB2  GLN  21           HB2      GLN  21   5.377   5.120   2.982
  164    HB3  GLN  21           HB1      GLN  21   4.157   4.937   4.234
  165    HG2  GLN  21           HG2      GLN  21   5.223   2.945   5.056
  166    HG3  GLN  21           HG1      GLN  21   6.375   2.970   3.720
  167   HE21  GLN  21          HE21      GLN  21   8.152   3.076   5.088
  168   HE22  GLN  21          HE22      GLN  21   8.549   4.502   5.981
  169    H    ALA  22           HN       ALA  22   4.179   4.981   0.531
  170    HA   ALA  22           HA       ALA  22   1.860   6.586   0.790
  171    HB1  ALA  22           HB1      ALA  22   3.616   6.047  -1.597
  172    HB2  ALA  22           HB2      ALA  22   3.791   7.364  -0.440
  173    HB3  ALA  22           HB3      ALA  22   2.388   7.308  -1.506
  174    H    ASP  23           HN       ASP  23   2.649   3.717  -1.094
  175    HA   ASP  23           HA       ASP  23   0.168   3.577  -2.485
  176    HB2  ASP  23           HB2      ASP  23   2.346   2.465  -3.165
  177    HB3  ASP  23           HB1      ASP  23   2.048   1.280  -1.892
  178    H    LEU  24           HN       LEU  24   1.435   2.182   0.476
  179    HA   LEU  24           HA       LEU  24  -0.792   0.597   1.166
  180    HB2  LEU  24           HB2      LEU  24   1.470   0.442   2.199
  181    HB3  LEU  24           HB1      LEU  24   1.207   1.993   2.960
  182    HG   LEU  24           HG       LEU  24   0.939  -0.139   4.367
  183   HD11  LEU  24          HD11      LEU  24   0.338   2.068   5.160
  184   HD12  LEU  24          HD12      LEU  24  -0.848   0.875   5.688
  185   HD13  LEU  24          HD13      LEU  24  -1.221   1.955   4.345
  186   HD21  LEU  24          HD21      LEU  24  -1.313  -1.108   4.343
  187   HD22  LEU  24          HD22      LEU  24  -0.457  -1.390   2.826
  188   HD23  LEU  24          HD23      LEU  24  -1.703  -0.145   2.919
  189    H    ALA  25           HN       ALA  25  -0.007   3.997   1.724
  190    HA   ALA  25           HA       ALA  25  -2.231   4.678   3.287
  191    HB1  ALA  25           HB1      ALA  25  -1.814   6.967   2.593
  192    HB2  ALA  25           HB2      ALA  25  -0.782   6.396   1.281
  193    HB3  ALA  25           HB3      ALA  25  -0.297   6.147   2.958
  194    H    LYS  26           HN       LYS  26  -1.771   4.560  -0.209
  195    HA   LYS  26           HA       LYS  26  -4.291   5.466  -1.013
  196    HB2  LYS  26           HB2      LYS  26  -2.419   5.181  -2.565
  197    HB3  LYS  26           HB1      LYS  26  -2.452   3.445  -2.319
  198    HG2  LYS  26           HG2      LYS  26  -4.928   4.732  -3.319
  199    HG3  LYS  26           HG1      LYS  26  -3.561   4.600  -4.425
  200    HD2  LYS  26           HD2      LYS  26  -3.472   2.177  -3.987
  201    HD3  LYS  26           HD1      LYS  26  -4.875   2.331  -2.929
  202    HE2  LYS  26           HE2      LYS  26  -4.827   3.047  -5.857
  203    HE3  LYS  26           HE1      LYS  26  -5.447   1.534  -5.198
  204    HZ1  LYS  26           HZ1      LYS  26  -7.218   3.117  -5.622
  205    HZ2  LYS  26           HZ2      LYS  26  -6.502   4.240  -4.583
  206    HZ3  LYS  26           HZ3      LYS  26  -7.101   2.783  -3.970
  207    H    TYR  27           HN       TYR  27  -3.145   2.247  -0.139
  208    HA   TYR  27           HA       TYR  27  -5.532   0.840  -0.640
  209    HB2  TYR  27           HB2      TYR  27  -3.452  -0.360  -0.301
  210    HB3  TYR  27           HB1      TYR  27  -3.288   0.299   1.318
  211    HD1  TYR  27           HD1      TYR  27  -5.355  -1.964  -0.771
  212    HD2  TYR  27           HD2      TYR  27  -4.248  -0.806   3.172
  213    HE1  TYR  27           HE1      TYR  27  -6.520  -3.930   0.130
  214    HE2  TYR  27           HE2      TYR  27  -5.415  -2.766   4.081
  215    HH   TYR  27           HH       TYR  27  -7.084  -4.350   3.519
  216    H    GLN  28           HN       GLN  28  -4.303   2.434   2.272
  217    HA   GLN  28           HA       GLN  28  -6.391   1.718   4.001
  218    HB2  GLN  28           HB2      GLN  28  -4.649   4.189   4.023
  219    HB3  GLN  28           HB1      GLN  28  -5.703   3.702   5.339
  220    HG2  GLN  28           HG2      GLN  28  -4.394   1.636   5.601
  221    HG3  GLN  28           HG1      GLN  28  -3.318   2.174   4.313
  222   HE21  GLN  28          HE21      GLN  28  -3.491   4.963   5.141
  223   HE22  GLN  28          HE22      GLN  28  -2.513   5.102   6.557
  224    H    LYS  29           HN       LYS  29  -5.969   4.535   1.901
  225    HA   LYS  29           HA       LYS  29  -8.185   5.978   2.825
  226    HB2  LYS  29           HB2      LYS  29  -6.360   6.966   1.500
  227    HB3  LYS  29           HB1      LYS  29  -6.901   6.061   0.090
  228    HG2  LYS  29           HG2      LYS  29  -8.961   7.291   0.021
  229    HG3  LYS  29           HG1      LYS  29  -8.576   8.098   1.541
  230    HD2  LYS  29           HD2      LYS  29  -8.147   9.573  -0.349
  231    HD3  LYS  29           HD1      LYS  29  -6.642   9.166   0.476
  232    HE2  LYS  29           HE2      LYS  29  -6.167   7.475  -1.230
  233    HE3  LYS  29           HE1      LYS  29  -7.672   7.886  -2.052
  234    HZ1  LYS  29           HZ1      LYS  29  -6.807  10.134  -2.381
  235    HZ2  LYS  29           HZ2      LYS  29  -5.820   8.968  -3.110
  236    HZ3  LYS  29           HZ3      LYS  29  -5.348   9.685  -1.654
  237    H    ASP  30           HN       ASP  30  -7.857   3.830   0.013
  238    HA   ASP  30           HA       ASP  30 -10.580   4.020  -0.753
  239    HB2  ASP  30           HB2      ASP  30  -8.837   3.278  -2.316
  240    HB3  ASP  30           HB1      ASP  30  -8.585   1.824  -1.347
  241    H    LEU  31           HN       LEU  31  -8.809   1.888   1.387
  242    HA   LEU  31           HA       LEU  31 -10.846   0.002   1.883
  243    HB2  LEU  31           HB2      LEU  31  -8.453  -0.283   2.497
  244    HB3  LEU  31           HB1      LEU  31  -8.651   0.937   3.736
  245    HG   LEU  31           HG       LEU  31 -10.278  -0.530   4.889
  246   HD11  LEU  31          HD11      LEU  31  -9.469  -2.522   2.774
  247   HD12  LEU  31          HD12      LEU  31 -11.078  -1.842   3.018
  248   HD13  LEU  31          HD13      LEU  31 -10.375  -2.903   4.237
  249   HD21  LEU  31          HD21      LEU  31  -7.571  -1.735   4.339
  250   HD22  LEU  31          HD22      LEU  31  -8.607  -2.113   5.718
  251   HD23  LEU  31          HD23      LEU  31  -7.935  -0.492   5.537
  252    H    ALA  32           HN       ALA  32  -9.936   2.975   3.565
  253    HA   ALA  32           HA       ALA  32 -11.937   2.909   5.537
  254    HB1  ALA  32           HB1      ALA  32  -9.944   4.326   5.654
  255    HB2  ALA  32           HB2      ALA  32 -11.425   5.257   5.866
  256    HB3  ALA  32           HB3      ALA  32 -10.570   5.300   4.324
  257    H    ASP  33           HN       ASP  33 -11.851   4.181   2.279
  258    HA   ASP  33           HA       ASP  33 -14.346   5.517   2.352
  259    HB2  ASP  33           HB2      ASP  33 -12.778   6.120   0.642
  260    HB3  ASP  33           HB1      ASP  33 -12.675   4.459   0.070
  261    H    TYR  34           HN       TYR  34 -13.361   2.254   1.577
  262    HA   TYR  34           HA       TYR  34 -15.992   1.445   0.742
  263    HB2  TYR  34           HB2      TYR  34 -14.078   0.353  -0.253
  264    HB3  TYR  34           HB1      TYR  34 -13.478  -0.123   1.329
  265    HD1  TYR  34           HD1      TYR  34 -16.761  -0.428  -0.449
  266    HD2  TYR  34           HD2      TYR  34 -13.639  -2.376   1.681
  267    HE1  TYR  34           HE1      TYR  34 -17.967  -2.556  -0.637
  268    HE2  TYR  34           HE2      TYR  34 -14.834  -4.505   1.497
  269    HH   TYR  34           HH       TYR  34 -17.539  -4.929  -0.560
  270    HN1  NH2  35           HN1      NH2  35 -17.480   1.569   2.286
  271    HN2  NH2  35           HN2      NH2  35 -17.384   0.808   3.835
  Start of MODEL    8
    1    H1   ACE   0           HA1      ACE   0 -12.784  -0.438  -2.660
    2    H2   ACE   0           HA2      ACE   0 -14.399  -1.073  -2.353
    3    H3   ACE   0           HA3      ACE   0 -14.135  -0.061  -3.771
    4    HA   PRO   1           HA       PRO   1 -12.743  -3.089  -1.368
    5    HB2  PRO   1           HB2      PRO   1 -12.164  -5.763  -1.992
    6    HB3  PRO   1           HB1      PRO   1 -13.583  -5.193  -1.096
    7    HG2  PRO   1           HG2      PRO   1 -13.330  -5.940  -3.953
    8    HG3  PRO   1           HG1      PRO   1 -14.692  -6.166  -2.835
    9    HD2  PRO   1           HD2      PRO   1 -14.733  -4.239  -4.705
   10    HD3  PRO   1           HD1      PRO   1 -15.443  -3.985  -3.096
   11    HA   PRO   2           HA       PRO   2  -8.778  -2.481  -3.413
   12    HB2  PRO   2           HB2      PRO   2  -7.503  -1.389  -1.306
   13    HB3  PRO   2           HB1      PRO   2  -8.712  -0.481  -2.240
   14    HG2  PRO   2           HG2      PRO   2  -9.007  -1.865   0.383
   15    HG3  PRO   2           HG1      PRO   2  -9.617  -0.279  -0.134
   16    HD2  PRO   2           HD2      PRO   2 -11.166  -2.533  -0.086
   17    HD3  PRO   2           HD1      PRO   2 -11.442  -1.176  -1.194
   18    H    THR   3           HN       THR   3  -7.334  -4.055  -3.698
   19    HA   THR   3           HA       THR   3  -6.844  -6.050  -1.666
   20    HB   THR   3           HB       THR   3  -5.503  -5.697  -4.355
   21    HG1  THR   3           HG1      THR   3  -7.941  -6.033  -4.184
   22   HG21  THR   3          HG21      THR   3  -5.760  -8.109  -2.555
   23   HG22  THR   3          HG22      THR   3  -4.289  -7.177  -2.832
   24   HG23  THR   3          HG23      THR   3  -5.013  -8.092  -4.154
   25    H    LYS   4           HN       LYS   4  -4.886  -6.357  -0.573
   26    HA   LYS   4           HA       LYS   4  -3.458  -4.087   0.190
   27    HB2  LYS   4           HB2      LYS   4  -2.626  -6.990   0.331
   28    HB3  LYS   4           HB1      LYS   4  -1.836  -5.672   1.197
   29    HG2  LYS   4           HG2      LYS   4  -3.916  -5.234   2.407
   30    HG3  LYS   4           HG1      LYS   4  -4.690  -6.566   1.548
   31    HD2  LYS   4           HD2      LYS   4  -2.930  -8.077   2.490
   32    HD3  LYS   4           HD1      LYS   4  -2.380  -6.717   3.472
   33    HE2  LYS   4           HE2      LYS   4  -3.847  -8.111   4.785
   34    HE3  LYS   4           HE1      LYS   4  -4.633  -6.566   4.466
   35    HZ1  LYS   4           HZ1      LYS   4  -5.907  -7.612   2.704
   36    HZ2  LYS   4           HZ2      LYS   4  -6.150  -8.425   4.164
   37    HZ3  LYS   4           HZ3      LYS   4  -5.139  -9.092   2.986
   38    HA   PRO   5           HA       PRO   5  -0.747  -3.222  -3.166
   39    HB2  PRO   5           HB2      PRO   5   1.479  -2.446  -1.659
   40    HB3  PRO   5           HB1      PRO   5   0.157  -1.386  -2.183
   41    HG2  PRO   5           HG2      PRO   5   0.624  -2.656   0.449
   42    HG3  PRO   5           HG1      PRO   5  -0.128  -1.095   0.048
   43    HD2  PRO   5           HD2      PRO   5  -1.587  -3.240   0.804
   44    HD3  PRO   5           HD1      PRO   5  -2.192  -2.037  -0.360
   45    H    THR   6           HN       THR   6   0.326  -4.593  -4.366
   46    HA   THR   6           HA       THR   6   1.537  -6.933  -3.224
   47    HB   THR   6           HB       THR   6   1.608  -6.114  -6.118
   48    HG1  THR   6           HG1      THR   6  -0.471  -7.530  -4.764
   49   HG21  THR   6          HG21      THR   6   1.602  -8.530  -6.500
   50   HG22  THR   6          HG22      THR   6   1.536  -8.810  -4.762
   51   HG23  THR   6          HG23      THR   6   2.959  -8.058  -5.479
   52    H    LYS   7           HN       LYS   7   2.551  -3.824  -4.058
   53    HA   LYS   7           HA       LYS   7   5.201  -4.198  -4.845
   54    HB2  LYS   7           HB2      LYS   7   4.001  -1.967  -3.196
   55    HB3  LYS   7           HB1      LYS   7   5.598  -1.917  -3.928
   56    HG2  LYS   7           HG2      LYS   7   2.982  -2.138  -5.406
   57    HG3  LYS   7           HG1      LYS   7   3.962  -0.677  -5.243
   58    HD2  LYS   7           HD2      LYS   7   5.810  -1.811  -6.420
   59    HD3  LYS   7           HD1      LYS   7   4.796  -3.238  -6.615
   60    HE2  LYS   7           HE2      LYS   7   4.748  -1.983  -8.660
   61    HE3  LYS   7           HE1      LYS   7   3.172  -1.849  -7.883
   62    HZ1  LYS   7           HZ1      LYS   7   3.835   0.327  -7.036
   63    HZ2  LYS   7           HZ2      LYS   7   3.898   0.282  -8.723
   64    HZ3  LYS   7           HZ3      LYS   7   5.325   0.193  -7.823
   65    HA   PRO   8           HA       PRO   8   7.197  -5.912  -1.320
   66    HB2  PRO   8           HB2      PRO   8   9.678  -4.772  -1.586
   67    HB3  PRO   8           HB1      PRO   8   9.111  -6.134  -2.567
   68    HG2  PRO   8           HG2      PRO   8   9.194  -3.236  -3.239
   69    HG3  PRO   8           HG1      PRO   8   9.612  -4.640  -4.245
   70    HD2  PRO   8           HD2      PRO   8   7.256  -3.370  -4.521
   71    HD3  PRO   8           HD1      PRO   8   7.396  -5.134  -4.716
   72    H    GLY   9           HN       GLY   9   6.872  -5.344   0.697
   73    HA2  GLY   9           HA2      GLY   9   7.526  -2.591   1.528
   74    HA3  GLY   9           HA1      GLY   9   6.072  -3.410   2.077
   75    H    ASP  10           HN       ASP  10   8.727  -5.454   1.746
   76    HA   ASP  10           HA       ASP  10   9.448  -5.177   4.585
   77    HB2  ASP  10           HB2      ASP  10   9.075  -7.797   3.117
   78    HB3  ASP  10           HB1      ASP  10   9.562  -7.612   4.795
   79    H    ASN  11           HN       ASN  11  10.347  -6.939   1.648
   80    HA   ASN  11           HA       ASN  11  13.155  -6.846   2.369
   81    HB2  ASN  11           HB2      ASN  11  13.471  -8.308   0.416
   82    HB3  ASN  11           HB1      ASN  11  12.231  -8.936   1.494
   83   HD21  ASN  11          HD21      ASN  11  12.716  -9.407  -1.367
   84   HD22  ASN  11          HD22      ASN  11  11.238  -8.997  -2.165
   85    H    ALA  12           HN       ALA  12  11.971  -4.340   1.784
   86    HA   ALA  12           HA       ALA  12  13.177  -3.661  -0.810
   87    HB1  ALA  12           HB1      ALA  12  10.936  -2.198   0.567
   88    HB2  ALA  12           HB2      ALA  12  10.703  -3.434  -0.668
   89    HB3  ALA  12           HB3      ALA  12  11.545  -1.940  -1.068
   90    H    THR  13           HN       THR  13  14.026  -1.482  -0.993
   91    HA   THR  13           HA       THR  13  15.688  -0.711   1.192
   92    HB   THR  13           HB       THR  13  16.251   1.229  -0.306
   93    HG1  THR  13           HG1      THR  13  15.385   0.781  -2.559
   94   HG21  THR  13          HG21      THR  13  17.520  -0.852  -0.385
   95   HG22  THR  13          HG22      THR  13  17.379  -0.143  -1.994
   96   HG23  THR  13          HG23      THR  13  16.369  -1.519  -1.543
   97    HA   PRO  14           HA       PRO  14  13.236   2.184   3.430
   98    HB2  PRO  14           HB2      PRO  14  14.924   4.399   3.503
   99    HB3  PRO  14           HB1      PRO  14  15.008   3.021   4.615
  100    HG2  PRO  14           HG2      PRO  14  16.626   3.605   2.202
  101    HG3  PRO  14           HG1      PRO  14  17.111   2.881   3.757
  102    HD2  PRO  14           HD2      PRO  14  16.757   1.359   1.583
  103    HD3  PRO  14           HD1      PRO  14  16.298   0.785   3.193
  104    H    GLU  15           HN       GLU  15  14.831   3.472   0.547
  105    HA   GLU  15           HA       GLU  15  13.095   5.658   0.142
  106    HB2  GLU  15           HB2      GLU  15  15.281   5.467  -0.963
  107    HB3  GLU  15           HB1      GLU  15  14.696   4.084  -1.881
  108    HG2  GLU  15           HG2      GLU  15  12.970   5.556  -2.896
  109    HG3  GLU  15           HG1      GLU  15  13.711   6.920  -2.062
  110    H    LYS  16           HN       LYS  16  13.078   2.325  -0.973
  111    HA   LYS  16           HA       LYS  16  10.790   2.595  -2.640
  112    HB2  LYS  16           HB2      LYS  16  12.504   0.833  -2.947
  113    HB3  LYS  16           HB1      LYS  16  12.021   0.119  -1.416
  114    HG2  LYS  16           HG2      LYS  16  11.092  -1.102  -3.302
  115    HG3  LYS  16           HG1      LYS  16   9.816  -0.374  -2.325
  116    HD2  LYS  16           HD2      LYS  16   9.462   1.351  -3.918
  117    HD3  LYS  16           HD1      LYS  16  10.927   0.924  -4.803
  118    HE2  LYS  16           HE2      LYS  16   8.513  -0.861  -4.514
  119    HE3  LYS  16           HE1      LYS  16   8.840   0.165  -5.910
  120    HZ1  LYS  16           HZ1      LYS  16  10.928  -1.055  -6.229
  121    HZ2  LYS  16           HZ2      LYS  16   9.574  -2.062  -6.353
  122    HZ3  LYS  16           HZ3      LYS  16  10.522  -2.087  -4.952
  123    H    LEU  17           HN       LEU  17  11.354   1.559   0.685
  124    HA   LEU  17           HA       LEU  17   8.751   0.720   1.273
  125    HB2  LEU  17           HB2      LEU  17  10.876   1.889   3.047
  126    HB3  LEU  17           HB1      LEU  17   9.375   1.223   3.650
  127    HG   LEU  17           HG       LEU  17  11.551  -0.273   2.192
  128   HD11  LEU  17          HD11      LEU  17  11.810  -1.463   4.284
  129   HD12  LEU  17          HD12      LEU  17  10.519  -0.508   5.013
  130   HD13  LEU  17          HD13      LEU  17  12.027   0.268   4.536
  131   HD21  LEU  17          HD21      LEU  17   8.856  -1.193   3.171
  132   HD22  LEU  17          HD22      LEU  17  10.160  -2.268   2.665
  133   HD23  LEU  17          HD23      LEU  17   9.431  -1.159   1.503
  134    H    ALA  18           HN       ALA  18  10.250   3.909   1.415
  135    HA   ALA  18           HA       ALA  18   8.129   5.278   2.628
  136    HB1  ALA  18           HB1      ALA  18  10.110   6.326   0.616
  137    HB2  ALA  18           HB2      ALA  18  10.372   6.224   2.357
  138    HB3  ALA  18           HB3      ALA  18   9.128   7.296   1.713
  139    H    LYS  19           HN       LYS  19   8.848   4.633  -0.772
  140    HA   LYS  19           HA       LYS  19   6.550   5.990  -1.767
  141    HB2  LYS  19           HB2      LYS  19   8.572   5.582  -3.118
  142    HB3  LYS  19           HB1      LYS  19   8.251   3.856  -3.066
  143    HG2  LYS  19           HG2      LYS  19   6.353   4.059  -4.430
  144    HG3  LYS  19           HG1      LYS  19   6.286   5.809  -4.218
  145    HD2  LYS  19           HD2      LYS  19   7.153   5.169  -6.430
  146    HD3  LYS  19           HD1      LYS  19   8.338   6.070  -5.484
  147    HE2  LYS  19           HE2      LYS  19   9.417   3.951  -4.860
  148    HE3  LYS  19           HE1      LYS  19   8.250   3.077  -5.848
  149    HZ1  LYS  19           HZ1      LYS  19  10.288   3.393  -7.054
  150    HZ2  LYS  19           HZ2      LYS  19  10.230   5.063  -6.815
  151    HZ3  LYS  19           HZ3      LYS  19   9.068   4.308  -7.786
  152    H    TYR  20           HN       TYR  20   7.273   2.687  -0.835
  153    HA   TYR  20           HA       TYR  20   4.876   1.476  -1.637
  154    HB2  TYR  20           HB2      TYR  20   6.683   0.077  -0.965
  155    HB3  TYR  20           HB1      TYR  20   6.804   0.875   0.599
  156    HD1  TYR  20           HD1      TYR  20   4.513  -1.232  -1.442
  157    HD2  TYR  20           HD2      TYR  20   5.719  -0.031   2.458
  158    HE1  TYR  20           HE1      TYR  20   3.050  -2.948  -0.469
  159    HE2  TYR  20           HE2      TYR  20   4.255  -1.745   3.439
  160    HH   TYR  20           HH       TYR  20   2.652  -4.143   1.474
  161    H    GLN  21           HN       GLN  21   5.760   3.174   1.342
  162    HA   GLN  21           HA       GLN  21   3.348   2.730   2.714
  163    HB2  GLN  21           HB2      GLN  21   5.417   4.904   2.935
  164    HB3  GLN  21           HB1      GLN  21   4.010   4.829   3.987
  165    HG2  GLN  21           HG2      GLN  21   6.096   2.678   3.702
  166    HG3  GLN  21           HG1      GLN  21   5.987   3.838   5.025
  167   HE21  GLN  21          HE21      GLN  21   5.836   0.899   5.042
  168   HE22  GLN  21          HE22      GLN  21   4.331   0.513   5.796
  169    H    ALA  22           HN       ALA  22   4.222   4.977   0.222
  170    HA   ALA  22           HA       ALA  22   1.988   6.706   0.507
  171    HB1  ALA  22           HB1      ALA  22   2.573   7.484  -1.742
  172    HB2  ALA  22           HB2      ALA  22   3.703   6.140  -1.909
  173    HB3  ALA  22           HB3      ALA  22   3.991   7.391  -0.700
  174    H    ASP  23           HN       ASP  23   2.632   3.784  -1.369
  175    HA   ASP  23           HA       ASP  23   0.050   3.772  -2.621
  176    HB2  ASP  23           HB2      ASP  23   2.119   2.630  -3.542
  177    HB3  ASP  23           HB1      ASP  23   1.916   1.411  -2.283
  178    H    LEU  24           HN       LEU  24   1.497   2.413   0.244
  179    HA   LEU  24           HA       LEU  24  -0.607   0.772   1.119
  180    HB2  LEU  24           HB2      LEU  24   1.776   0.972   2.022
  181    HB3  LEU  24           HB1      LEU  24   1.241   2.409   2.860
  182    HG   LEU  24           HG       LEU  24   1.380   0.273   4.218
  183   HD11  LEU  24          HD11      LEU  24  -1.233   1.764   4.130
  184   HD12  LEU  24          HD12      LEU  24   0.210   2.223   5.033
  185   HD13  LEU  24          HD13      LEU  24  -0.674   0.759   5.465
  186   HD21  LEU  24          HD21      LEU  24  -0.508  -1.254   4.075
  187   HD22  LEU  24          HD22      LEU  24   0.393  -1.221   2.559
  188   HD23  LEU  24          HD23      LEU  24  -1.139  -0.362   2.694
  189    H    ALA  25           HN       ALA  25   0.068   4.219   1.564
  190    HA   ALA  25           HA       ALA  25  -2.160   4.878   3.133
  191    HB1  ALA  25           HB1      ALA  25  -0.732   6.573   1.091
  192    HB2  ALA  25           HB2      ALA  25  -0.269   6.385   2.782
  193    HB3  ALA  25           HB3      ALA  25  -1.795   7.165   2.368
  194    H    LYS  26           HN       LYS  26  -1.715   4.784  -0.371
  195    HA   LYS  26           HA       LYS  26  -4.259   5.580  -1.187
  196    HB2  LYS  26           HB2      LYS  26  -2.382   5.275  -2.738
  197    HB3  LYS  26           HB1      LYS  26  -2.401   3.547  -2.439
  198    HG2  LYS  26           HG2      LYS  26  -4.695   3.467  -3.390
  199    HG3  LYS  26           HG1      LYS  26  -4.521   5.168  -3.821
  200    HD2  LYS  26           HD2      LYS  26  -2.596   4.634  -5.214
  201    HD3  LYS  26           HD1      LYS  26  -2.717   2.937  -4.752
  202    HE2  LYS  26           HE2      LYS  26  -3.697   3.278  -6.939
  203    HE3  LYS  26           HE1      LYS  26  -4.943   2.831  -5.778
  204    HZ1  LYS  26           HZ1      LYS  26  -5.674   4.634  -7.199
  205    HZ2  LYS  26           HZ2      LYS  26  -4.366   5.588  -6.712
  206    HZ3  LYS  26           HZ3      LYS  26  -5.558   5.160  -5.596
  207    H    TYR  27           HN       TYR  27  -3.021   2.431  -0.229
  208    HA   TYR  27           HA       TYR  27  -5.333   0.915  -0.731
  209    HB2  TYR  27           HB2      TYR  27  -3.258  -0.224  -0.371
  210    HB3  TYR  27           HB1      TYR  27  -3.039   0.543   1.193
  211    HD1  TYR  27           HD1      TYR  27  -5.470  -1.683  -0.569
  212    HD2  TYR  27           HD2      TYR  27  -3.528  -0.694   3.081
  213    HE1  TYR  27           HE1      TYR  27  -6.533  -3.613   0.510
  214    HE2  TYR  27           HE2      TYR  27  -4.582  -2.625   4.168
  215    HH   TYR  27           HH       TYR  27  -6.306  -5.035   2.374
  216    H    GLN  28           HN       GLN  28  -4.185   2.480   2.244
  217    HA   GLN  28           HA       GLN  28  -6.383   1.734   3.838
  218    HB2  GLN  28           HB2      GLN  28  -4.482   4.067   4.109
  219    HB3  GLN  28           HB1      GLN  28  -5.644   3.588   5.339
  220    HG2  GLN  28           HG2      GLN  28  -4.535   1.389   5.496
  221    HG3  GLN  28           HG1      GLN  28  -3.341   1.930   4.317
  222   HE21  GLN  28          HE21      GLN  28  -3.319   4.652   5.420
  223   HE22  GLN  28          HE22      GLN  28  -2.410   4.550   6.886
  224    H    LYS  29           HN       LYS  29  -5.864   4.370   1.623
  225    HA   LYS  29           HA       LYS  29  -7.937   6.080   2.373
  226    HB2  LYS  29           HB2      LYS  29  -6.214   6.736   0.788
  227    HB3  LYS  29           HB1      LYS  29  -6.762   5.522  -0.358
  228    HG2  LYS  29           HG2      LYS  29  -8.892   6.724  -0.587
  229    HG3  LYS  29           HG1      LYS  29  -8.296   7.956   0.527
  230    HD2  LYS  29           HD2      LYS  29  -6.459   8.457  -1.010
  231    HD3  LYS  29           HD1      LYS  29  -7.049   7.220  -2.120
  232    HE2  LYS  29           HE2      LYS  29  -8.558   9.690  -1.275
  233    HE3  LYS  29           HE1      LYS  29  -7.721   9.477  -2.810
  234    HZ1  LYS  29           HZ1      LYS  29 -10.084   9.065  -3.032
  235    HZ2  LYS  29           HZ2      LYS  29 -10.019   7.858  -1.854
  236    HZ3  LYS  29           HZ3      LYS  29  -9.214   7.645  -3.325
  237    H    ASP  30           HN       ASP  30  -7.950   3.627  -0.219
  238    HA   ASP  30           HA       ASP  30 -10.755   3.757  -0.602
  239    HB2  ASP  30           HB2      ASP  30  -8.669   1.763  -1.452
  240    HB3  ASP  30           HB1      ASP  30 -10.382   1.506  -1.779
  241    H    LEU  31           HN       LEU  31  -8.695   1.880   1.484
  242    HA   LEU  31           HA       LEU  31 -10.547  -0.138   2.176
  243    HB2  LEU  31           HB2      LEU  31  -8.087  -0.225   2.584
  244    HB3  LEU  31           HB1      LEU  31  -8.296   0.964   3.855
  245    HG   LEU  31           HG       LEU  31  -9.687  -0.625   5.117
  246   HD11  LEU  31          HD11      LEU  31 -10.622  -1.939   3.328
  247   HD12  LEU  31          HD12      LEU  31  -9.713  -2.995   4.406
  248   HD13  LEU  31          HD13      LEU  31  -9.020  -2.508   2.860
  249   HD21  LEU  31          HD21      LEU  31  -7.303  -0.499   5.541
  250   HD22  LEU  31          HD22      LEU  31  -6.998  -1.680   4.267
  251   HD23  LEU  31          HD23      LEU  31  -7.876  -2.158   5.721
  252    H    ALA  32           HN       ALA  32  -9.702   2.923   3.767
  253    HA   ALA  32           HA       ALA  32 -11.544   2.739   5.878
  254    HB1  ALA  32           HB1      ALA  32 -10.434   5.190   4.527
  255    HB2  ALA  32           HB2      ALA  32  -9.699   4.326   5.877
  256    HB3  ALA  32           HB3      ALA  32 -11.239   5.158   6.095
  257    H    ASP  33           HN       ASP  33 -11.828   3.806   2.584
  258    HA   ASP  33           HA       ASP  33 -14.430   4.959   2.862
  259    HB2  ASP  33           HB2      ASP  33 -12.820   5.604   1.070
  260    HB3  ASP  33           HB1      ASP  33 -13.023   4.009   0.356
  261    H    TYR  34           HN       TYR  34 -13.151   1.814   2.279
  262    HA   TYR  34           HA       TYR  34 -15.610   0.721   1.226
  263    HB2  TYR  34           HB2      TYR  34 -13.380  -0.046   0.435
  264    HB3  TYR  34           HB1      TYR  34 -13.056  -0.679   2.044
  265    HD1  TYR  34           HD1      TYR  34 -15.677  -0.914  -0.595
  266    HD2  TYR  34           HD2      TYR  34 -13.401  -2.935   2.368
  267    HE1  TYR  34           HE1      TYR  34 -16.717  -3.032  -1.251
  268    HE2  TYR  34           HE2      TYR  34 -14.441  -5.062   1.727
  269    HH   TYR  34           HH       TYR  34 -16.423  -5.354  -1.109
  270    HN1  NH2  35           HN1      NH2  35 -16.984   1.181   2.989
  271    HN2  NH2  35           HN2      NH2  35 -16.961   0.216   4.423
  Start of MODEL    9
    1    H1   ACE   0           HA1      ACE   0 -13.607  -1.931  -2.851
    2    H2   ACE   0           HA2      ACE   0 -14.848  -2.920  -2.084
    3    H3   ACE   0           HA3      ACE   0 -15.107  -2.352  -3.730
    4    HA   PRO   1           HA       PRO   1 -12.711  -3.911  -0.909
    5    HB2  PRO   1           HB2      PRO   1 -11.257  -6.279  -0.730
    6    HB3  PRO   1           HB1      PRO   1 -12.834  -5.997   0.027
    7    HG2  PRO   1           HG2      PRO   1 -12.175  -7.431  -2.480
    8    HG3  PRO   1           HG1      PRO   1 -13.422  -7.777  -1.265
    9    HD2  PRO   1           HD2      PRO   1 -14.029  -6.635  -3.633
   10    HD3  PRO   1           HD1      PRO   1 -14.900  -6.229  -2.138
   11    HA   PRO   2           HA       PRO   2  -9.084  -2.473  -3.053
   12    HB2  PRO   2           HB2      PRO   2  -7.686  -1.643  -0.831
   13    HB3  PRO   2           HB1      PRO   2  -8.973  -0.696  -1.608
   14    HG2  PRO   2           HG2      PRO   2  -9.088  -2.397   0.827
   15    HG3  PRO   2           HG1      PRO   2  -9.867  -0.839   0.492
   16    HD2  PRO   2           HD2      PRO   2 -11.217  -3.178   0.361
   17    HD3  PRO   2           HD1      PRO   2 -11.598  -1.799  -0.689
   18    H    THR   3           HN       THR   3  -7.092  -3.265  -3.563
   19    HA   THR   3           HA       THR   3  -6.254  -5.703  -2.204
   20    HB   THR   3           HB       THR   3  -5.127  -4.466  -4.717
   21    HG1  THR   3           HG1      THR   3  -7.383  -6.062  -4.238
   22   HG21  THR   3          HG21      THR   3  -4.970  -7.274  -3.616
   23   HG22  THR   3          HG22      THR   3  -3.657  -6.096  -3.623
   24   HG23  THR   3          HG23      THR   3  -4.285  -6.726  -5.147
   25    H    LYS   4           HN       LYS   4  -4.408  -5.876  -1.060
   26    HA   LYS   4           HA       LYS   4  -3.219  -3.544   0.005
   27    HB2  LYS   4           HB2      LYS   4  -2.363  -6.444   0.123
   28    HB3  LYS   4           HB1      LYS   4  -1.655  -5.156   1.095
   29    HG2  LYS   4           HG2      LYS   4  -3.686  -4.813   2.270
   30    HG3  LYS   4           HG1      LYS   4  -4.579  -5.842   1.152
   31    HD2  LYS   4           HD2      LYS   4  -4.140  -6.989   3.261
   32    HD3  LYS   4           HD1      LYS   4  -3.317  -7.784   1.918
   33    HE2  LYS   4           HE2      LYS   4  -1.229  -6.707   2.543
   34    HE3  LYS   4           HE1      LYS   4  -2.044  -5.850   3.851
   35    HZ1  LYS   4           HZ1      LYS   4  -2.500  -7.944   4.925
   36    HZ2  LYS   4           HZ2      LYS   4  -0.841  -7.816   4.622
   37    HZ3  LYS   4           HZ3      LYS   4  -1.802  -8.803   3.642
   38    HA   PRO   5           HA       PRO   5  -0.011  -2.428  -2.791
   39    HB2  PRO   5           HB2      PRO   5   2.156  -2.303  -1.026
   40    HB3  PRO   5           HB1      PRO   5   1.019  -0.984  -1.371
   41    HG2  PRO   5           HG2      PRO   5   1.063  -2.895   0.905
   42    HG3  PRO   5           HG1      PRO   5   0.627  -1.171   0.871
   43    HD2  PRO   5           HD2      PRO   5  -1.268  -3.058   1.005
   44    HD3  PRO   5           HD1      PRO   5  -1.504  -1.589   0.024
   45    H    THR   6           HN       THR   6   0.743  -3.812  -4.199
   46    HA   THR   6           HA       THR   6   1.772  -6.390  -3.446
   47    HB   THR   6           HB       THR   6   1.779  -5.161  -6.197
   48    HG1  THR   6           HG1      THR   6  -0.324  -6.502  -4.802
   49   HG21  THR   6          HG21      THR   6   1.577  -7.492  -6.933
   50   HG22  THR   6          HG22      THR   6   1.606  -8.024  -5.252
   51   HG23  THR   6          HG23      THR   6   3.026  -7.253  -5.957
   52    H    LYS   7           HN       LYS   7   3.032  -3.293  -3.923
   53    HA   LYS   7           HA       LYS   7   5.553  -3.778  -5.029
   54    HB2  LYS   7           HB2      LYS   7   4.828  -1.664  -2.992
   55    HB3  LYS   7           HB1      LYS   7   6.200  -1.625  -4.086
   56    HG2  LYS   7           HG2      LYS   7   4.641  -1.539  -5.998
   57    HG3  LYS   7           HG1      LYS   7   3.293  -1.488  -4.857
   58    HD2  LYS   7           HD2      LYS   7   4.338   0.576  -3.868
   59    HD3  LYS   7           HD1      LYS   7   5.487   0.556  -5.205
   60    HE2  LYS   7           HE2      LYS   7   2.489   0.833  -5.396
   61    HE3  LYS   7           HE1      LYS   7   3.687   2.086  -5.706
   62    HZ1  LYS   7           HZ1      LYS   7   2.841   1.130  -7.752
   63    HZ2  LYS   7           HZ2      LYS   7   3.358  -0.411  -7.283
   64    HZ3  LYS   7           HZ3      LYS   7   4.494   0.807  -7.586
   65    HA   PRO   8           HA       PRO   8   7.886  -5.823  -1.889
   66    HB2  PRO   8           HB2      PRO   8  10.294  -4.506  -2.106
   67    HB3  PRO   8           HB1      PRO   8   9.760  -5.789  -3.208
   68    HG2  PRO   8           HG2      PRO   8   9.675  -2.838  -3.562
   69    HG3  PRO   8           HG1      PRO   8  10.088  -4.106  -4.737
   70    HD2  PRO   8           HD2      PRO   8   7.671  -2.915  -4.750
   71    HD3  PRO   8           HD1      PRO   8   7.865  -4.639  -5.148
   72    H    GLY   9           HN       GLY   9   7.743  -5.563   0.227
   73    HA2  GLY   9           HA2      GLY   9   8.530  -3.024   1.438
   74    HA3  GLY   9           HA1      GLY   9   6.880  -3.567   1.701
   75    H    ASP  10           HN       ASP  10   9.385  -5.903   1.415
   76    HA   ASP  10           HA       ASP  10   9.266  -6.347   4.325
   77    HB2  ASP  10           HB2      ASP  10   9.410  -8.361   2.082
   78    HB3  ASP  10           HB1      ASP  10   9.713  -8.771   3.764
   79    H    ASN  11           HN       ASN  11  11.246  -6.813   1.439
   80    HA   ASN  11           HA       ASN  11  13.643  -6.395   3.099
   81    HB2  ASN  11           HB2      ASN  11  13.312  -8.281   0.754
   82    HB3  ASN  11           HB1      ASN  11  14.866  -7.860   1.464
   83   HD21  ASN  11          HD21      ASN  11  13.572 -10.451   1.248
   84   HD22  ASN  11          HD22      ASN  11  13.445 -11.057   2.862
   85    H    ALA  12           HN       ALA  12  12.258  -4.337   1.944
   86    HA   ALA  12           HA       ALA  12  13.760  -3.657  -0.486
   87    HB1  ALA  12           HB1      ALA  12  11.984  -2.180  -1.072
   88    HB2  ALA  12           HB2      ALA  12  11.230  -2.371   0.510
   89    HB3  ALA  12           HB3      ALA  12  11.266  -3.724  -0.617
   90    H    THR  13           HN       THR  13  14.513  -1.495  -0.731
   91    HA   THR  13           HA       THR  13  15.879  -0.482   1.525
   92    HB   THR  13           HB       THR  13  16.449   1.421   0.004
   93    HG1  THR  13           HG1      THR  13  15.726   0.752  -2.301
   94   HG21  THR  13          HG21      THR  13  17.716   0.050  -1.606
   95   HG22  THR  13          HG22      THR  13  16.773  -1.359  -1.115
   96   HG23  THR  13          HG23      THR  13  17.838  -0.563   0.043
   97    HA   PRO  14           HA       PRO  14  13.085   2.339   3.452
   98    HB2  PRO  14           HB2      PRO  14  14.703   4.602   3.626
   99    HB3  PRO  14           HB1      PRO  14  14.699   3.265   4.788
  100    HG2  PRO  14           HG2      PRO  14  16.555   3.817   2.547
  101    HG3  PRO  14           HG1      PRO  14  16.882   3.144   4.165
  102    HD2  PRO  14           HD2      PRO  14  16.798   1.557   2.005
  103    HD3  PRO  14           HD1      PRO  14  16.184   1.011   3.575
  104    H    GLU  15           HN       GLU  15  14.927   3.545   0.706
  105    HA   GLU  15           HA       GLU  15  13.237   5.696   0.033
  106    HB2  GLU  15           HB2      GLU  15  15.540   5.437  -0.809
  107    HB3  GLU  15           HB1      GLU  15  15.033   4.039  -1.747
  108    HG2  GLU  15           HG2      GLU  15  13.500   5.491  -3.028
  109    HG3  GLU  15           HG1      GLU  15  14.097   6.876  -2.116
  110    H    LYS  16           HN       LYS  16  13.296   2.305  -0.866
  111    HA   LYS  16           HA       LYS  16  11.170   2.493  -2.773
  112    HB2  LYS  16           HB2      LYS  16  13.009   0.757  -2.763
  113    HB3  LYS  16           HB1      LYS  16  12.223   0.033  -1.368
  114    HG2  LYS  16           HG2      LYS  16  11.602  -1.199  -3.312
  115    HG3  LYS  16           HG1      LYS  16  10.190  -0.295  -2.760
  116    HD2  LYS  16           HD2      LYS  16  10.484   1.348  -4.470
  117    HD3  LYS  16           HD1      LYS  16  12.046   0.668  -4.929
  118    HE2  LYS  16           HE2      LYS  16  10.918  -1.399  -5.632
  119    HE3  LYS  16           HE1      LYS  16   9.364  -0.681  -5.207
  120    HZ1  LYS  16           HZ1      LYS  16   9.672   0.986  -6.881
  121    HZ2  LYS  16           HZ2      LYS  16   9.877  -0.537  -7.589
  122    HZ3  LYS  16           HZ3      LYS  16  11.227   0.419  -7.238
  123    H    LEU  17           HN       LEU  17  11.487   1.628   0.621
  124    HA   LEU  17           HA       LEU  17   8.906   0.659   1.064
  125    HB2  LEU  17           HB2      LEU  17  10.789   2.094   2.920
  126    HB3  LEU  17           HB1      LEU  17   9.292   1.362   3.444
  127    HG   LEU  17           HG       LEU  17  11.685  -0.067   2.291
  128   HD11  LEU  17          HD11      LEU  17  11.891   0.710   4.624
  129   HD12  LEU  17          HD12      LEU  17  11.877  -1.045   4.486
  130   HD13  LEU  17          HD13      LEU  17  10.433  -0.196   5.030
  131   HD21  LEU  17          HD21      LEU  17   8.985  -1.117   3.124
  132   HD22  LEU  17          HD22      LEU  17  10.398  -2.123   2.812
  133   HD23  LEU  17          HD23      LEU  17   9.695  -1.165   1.510
  134    H    ALA  18           HN       ALA  18  10.091   3.907   0.722
  135    HA   ALA  18           HA       ALA  18   7.973   5.285   1.927
  136    HB1  ALA  18           HB1      ALA  18   9.681   6.143  -0.399
  137    HB2  ALA  18           HB2      ALA  18  10.085   6.345   1.305
  138    HB3  ALA  18           HB3      ALA  18   8.704   7.202   0.620
  139    H    LYS  19           HN       LYS  19   8.433   4.106  -1.372
  140    HA   LYS  19           HA       LYS  19   5.957   5.131  -2.340
  141    HB2  LYS  19           HB2      LYS  19   7.902   4.587  -3.787
  142    HB3  LYS  19           HB1      LYS  19   7.651   2.885  -3.447
  143    HG2  LYS  19           HG2      LYS  19   6.765   3.556  -5.632
  144    HG3  LYS  19           HG1      LYS  19   5.514   2.928  -4.561
  145    HD2  LYS  19           HD2      LYS  19   4.763   4.913  -5.802
  146    HD3  LYS  19           HD1      LYS  19   4.769   5.186  -4.062
  147    HE2  LYS  19           HE2      LYS  19   5.646   7.123  -5.243
  148    HE3  LYS  19           HE1      LYS  19   6.896   6.377  -4.256
  149    HZ1  LYS  19           HZ1      LYS  19   7.821   5.353  -6.210
  150    HZ2  LYS  19           HZ2      LYS  19   7.691   7.018  -6.462
  151    HZ3  LYS  19           HZ3      LYS  19   6.576   5.965  -7.179
  152    H    TYR  20           HN       TYR  20   7.031   2.121  -0.928
  153    HA   TYR  20           HA       TYR  20   4.692   0.602  -1.272
  154    HB2  TYR  20           HB2      TYR  20   6.824  -0.364  -0.563
  155    HB3  TYR  20           HB1      TYR  20   6.763   0.554   0.935
  156    HD1  TYR  20           HD1      TYR  20   4.975  -2.101  -0.963
  157    HD2  TYR  20           HD2      TYR  20   5.776  -0.374   2.843
  158    HE1  TYR  20           HE1      TYR  20   3.789  -3.958   0.122
  159    HE2  TYR  20           HE2      TYR  20   4.597  -2.235   3.939
  160    HH   TYR  20           HH       TYR  20   3.719  -5.081   2.304
  161    H    GLN  21           HN       GLN  21   5.742   2.742   1.361
  162    HA   GLN  21           HA       GLN  21   3.414   2.500   2.934
  163    HB2  GLN  21           HB2      GLN  21   5.459   4.708   2.736
  164    HB3  GLN  21           HB1      GLN  21   4.171   4.684   3.929
  165    HG2  GLN  21           HG2      GLN  21   5.051   2.585   4.831
  166    HG3  GLN  21           HG1      GLN  21   6.350   2.630   3.638
  167   HE21  GLN  21          HE21      GLN  21   7.929   2.693   5.258
  168   HE22  GLN  21          HE22      GLN  21   8.231   4.124   6.180
  169    H    ALA  22           HN       ALA  22   4.247   4.577   0.236
  170    HA   ALA  22           HA       ALA  22   2.066   6.356   0.466
  171    HB1  ALA  22           HB1      ALA  22   2.595   7.016  -1.808
  172    HB2  ALA  22           HB2      ALA  22   3.594   5.577  -2.013
  173    HB3  ALA  22           HB3      ALA  22   4.078   6.831  -0.872
  174    H    ASP  23           HN       ASP  23   2.547   3.336  -1.300
  175    HA   ASP  23           HA       ASP  23  -0.042   3.365  -2.510
  176    HB2  ASP  23           HB2      ASP  23   2.035   2.087  -3.309
  177    HB3  ASP  23           HB1      ASP  23   1.652   0.906  -2.054
  178    H    LEU  24           HN       LEU  24   1.335   2.112   0.436
  179    HA   LEU  24           HA       LEU  24  -0.886   0.633   1.358
  180    HB2  LEU  24           HB2      LEU  24   1.409   0.496   2.305
  181    HB3  LEU  24           HB1      LEU  24   1.223   2.117   2.935
  182    HG   LEU  24           HG       LEU  24   0.956   0.116   4.534
  183   HD11  LEU  24          HD11      LEU  24   0.479   2.408   5.161
  184   HD12  LEU  24          HD12      LEU  24  -0.715   1.309   5.853
  185   HD13  LEU  24          HD13      LEU  24  -1.127   2.286   4.442
  186   HD21  LEU  24          HD21      LEU  24  -0.555  -1.220   3.215
  187   HD22  LEU  24          HD22      LEU  24  -1.734   0.089   3.183
  188   HD23  LEU  24          HD23      LEU  24  -1.358  -0.718   4.704
  189    H    ALA  25           HN       ALA  25   0.025   4.039   1.707
  190    HA   ALA  25           HA       ALA  25  -2.134   4.853   3.303
  191    HB1  ALA  25           HB1      ALA  25  -0.183   6.251   2.911
  192    HB2  ALA  25           HB2      ALA  25  -1.661   7.103   2.465
  193    HB3  ALA  25           HB3      ALA  25  -0.627   6.415   1.214
  194    H    LYS  26           HN       LYS  26  -1.776   4.465  -0.160
  195    HA   LYS  26           HA       LYS  26  -4.274   5.487  -0.970
  196    HB2  LYS  26           HB2      LYS  26  -2.352   5.005  -2.479
  197    HB3  LYS  26           HB1      LYS  26  -2.635   3.290  -2.250
  198    HG2  LYS  26           HG2      LYS  26  -4.897   3.586  -3.223
  199    HG3  LYS  26           HG1      LYS  26  -4.478   5.265  -3.570
  200    HD2  LYS  26           HD2      LYS  26  -2.998   2.845  -4.602
  201    HD3  LYS  26           HD1      LYS  26  -4.163   3.795  -5.522
  202    HE2  LYS  26           HE2      LYS  26  -1.583   4.840  -4.360
  203    HE3  LYS  26           HE1      LYS  26  -1.833   4.394  -6.045
  204    HZ1  LYS  26           HZ1      LYS  26  -3.485   6.127  -6.239
  205    HZ2  LYS  26           HZ2      LYS  26  -2.032   6.785  -5.684
  206    HZ3  LYS  26           HZ3      LYS  26  -3.309   6.531  -4.608
  207    H    TYR  27           HN       TYR  27  -3.196   2.263  -0.033
  208    HA   TYR  27           HA       TYR  27  -5.592   0.873  -0.472
  209    HB2  TYR  27           HB2      TYR  27  -3.554  -0.357  -0.096
  210    HB3  TYR  27           HB1      TYR  27  -3.322   0.403   1.471
  211    HD1  TYR  27           HD1      TYR  27  -5.415  -2.011  -0.394
  212    HD2  TYR  27           HD2      TYR  27  -4.312  -0.501   3.426
  213    HE1  TYR  27           HE1      TYR  27  -6.584  -3.884   0.676
  214    HE2  TYR  27           HE2      TYR  27  -5.481  -2.371   4.506
  215    HH   TYR  27           HH       TYR  27  -6.510  -5.116   2.814
  216    H    GLN  28           HN       GLN  28  -4.360   2.561   2.380
  217    HA   GLN  28           HA       GLN  28  -6.476   1.953   4.120
  218    HB2  GLN  28           HB2      GLN  28  -4.656   4.368   4.048
  219    HB3  GLN  28           HB1      GLN  28  -5.741   3.985   5.377
  220    HG2  GLN  28           HG2      GLN  28  -4.529   1.920   5.806
  221    HG3  GLN  28           HG1      GLN  28  -3.472   2.244   4.431
  222   HE21  GLN  28          HE21      GLN  28  -2.843   1.914   7.274
  223   HE22  GLN  28          HE22      GLN  28  -2.011   3.356   7.737
  224    H    LYS  29           HN       LYS  29  -6.025   4.551   1.787
  225    HA   LYS  29           HA       LYS  29  -8.209   6.135   2.556
  226    HB2  LYS  29           HB2      LYS  29  -6.333   6.851   1.056
  227    HB3  LYS  29           HB1      LYS  29  -7.053   5.882  -0.225
  228    HG2  LYS  29           HG2      LYS  29  -9.040   7.260  -0.195
  229    HG3  LYS  29           HG1      LYS  29  -8.409   8.187   1.163
  230    HD2  LYS  29           HD2      LYS  29  -8.055   9.458  -0.832
  231    HD3  LYS  29           HD1      LYS  29  -6.491   8.865  -0.278
  232    HE2  LYS  29           HE2      LYS  29  -6.673   8.632  -2.683
  233    HE3  LYS  29           HE1      LYS  29  -6.611   7.047  -1.920
  234    HZ1  LYS  29           HZ1      LYS  29  -9.057   8.411  -2.915
  235    HZ2  LYS  29           HZ2      LYS  29  -9.028   6.909  -2.140
  236    HZ3  LYS  29           HZ3      LYS  29  -8.282   7.096  -3.642
  237    H    ASP  30           HN       ASP  30  -7.934   3.607   0.074
  238    HA   ASP  30           HA       ASP  30 -10.661   3.742  -0.723
  239    HB2  ASP  30           HB2      ASP  30  -8.758   2.688  -2.037
  240    HB3  ASP  30           HB1      ASP  30  -8.890   1.304  -0.947
  241    H    LEU  31           HN       LEU  31  -8.899   1.789   1.605
  242    HA   LEU  31           HA       LEU  31 -10.982   0.057   2.367
  243    HB2  LEU  31           HB2      LEU  31  -8.600  -0.312   2.884
  244    HB3  LEU  31           HB1      LEU  31  -8.619   1.070   3.956
  245    HG   LEU  31           HG       LEU  31 -10.224  -0.116   5.423
  246   HD11  LEU  31          HD11      LEU  31  -9.727  -2.419   3.540
  247   HD12  LEU  31          HD12      LEU  31 -11.263  -1.592   3.805
  248   HD13  LEU  31          HD13      LEU  31 -10.533  -2.535   5.103
  249   HD21  LEU  31          HD21      LEU  31  -8.588  -1.699   6.319
  250   HD22  LEU  31          HD22      LEU  31  -7.834  -0.170   5.867
  251   HD23  LEU  31          HD23      LEU  31  -7.660  -1.579   4.823
  252    H    ALA  32           HN       ALA  32 -10.073   3.274   3.410
  253    HA   ALA  32           HA       ALA  32 -11.715   3.486   5.673
  254    HB1  ALA  32           HB1      ALA  32 -10.807   5.639   3.778
  255    HB2  ALA  32           HB2      ALA  32  -9.920   5.058   5.189
  256    HB3  ALA  32           HB3      ALA  32 -11.458   5.898   5.396
  257    H    ASP  33           HN       ASP  33 -12.313   4.069   2.259
  258    HA   ASP  33           HA       ASP  33 -14.960   5.077   2.679
  259    HB2  ASP  33           HB2      ASP  33 -13.665   5.679   0.665
  260    HB3  ASP  33           HB1      ASP  33 -13.700   3.998   0.143
  261    H    TYR  34           HN       TYR  34 -13.564   1.985   1.703
  262    HA   TYR  34           HA       TYR  34 -16.196   0.769   1.534
  263    HB2  TYR  34           HB2      TYR  34 -14.394   0.294  -0.136
  264    HB3  TYR  34           HB1      TYR  34 -13.481  -0.500   1.142
  265    HD1  TYR  34           HD1      TYR  34 -16.739  -0.637  -0.655
  266    HD2  TYR  34           HD2      TYR  34 -13.808  -2.759   1.579
  267    HE1  TYR  34           HE1      TYR  34 -17.910  -2.738  -1.124
  268    HE2  TYR  34           HE2      TYR  34 -14.972  -4.868   1.113
  269    HH   TYR  34           HH       TYR  34 -17.374  -5.167  -1.236
  270    HN1  NH2  35           HN1      NH2  35 -16.785   0.930   3.729
  271    HN2  NH2  35           HN2      NH2  35 -16.136  -0.141   4.919
  Start of MODEL   10
    1    H1   ACE   0           HA1      ACE   0 -14.673  -0.919  -3.374
    2    H2   ACE   0           HA2      ACE   0 -13.674  -1.248  -1.960
    3    H3   ACE   0           HA3      ACE   0 -15.279  -1.970  -2.060
    4    HA   PRO   1           HA       PRO   1 -12.888  -3.411  -0.700
    5    HB2  PRO   1           HB2      PRO   1 -11.768  -5.957  -0.968
    6    HB3  PRO   1           HB1      PRO   1 -13.283  -5.589  -0.121
    7    HG2  PRO   1           HG2      PRO   1 -12.864  -6.628  -2.870
    8    HG3  PRO   1           HG1      PRO   1 -14.120  -7.034  -1.682
    9    HD2  PRO   1           HD2      PRO   1 -14.656  -5.421  -3.755
   10    HD3  PRO   1           HD1      PRO   1 -15.371  -5.131  -2.153
   11    HA   PRO   2           HA       PRO   2  -9.139  -2.058  -2.648
   12    HB2  PRO   2           HB2      PRO   2  -7.598  -1.865  -0.381
   13    HB3  PRO   2           HB1      PRO   2  -8.788  -0.647  -0.875
   14    HG2  PRO   2           HG2      PRO   2  -9.044  -2.824   1.133
   15    HG3  PRO   2           HG1      PRO   2  -9.609  -1.144   1.208
   16    HD2  PRO   2           HD2      PRO   2 -11.292  -3.166   0.645
   17    HD3  PRO   2           HD1      PRO   2 -11.471  -1.564  -0.099
   18    H    THR   3           HN       THR   3  -7.459  -3.074  -3.552
   19    HA   THR   3           HA       THR   3  -6.805  -5.769  -2.718
   20    HB   THR   3           HB       THR   3  -5.583  -4.164  -4.966
   21    HG1  THR   3           HG1      THR   3  -7.289  -5.762  -6.039
   22   HG21  THR   3          HG21      THR   3  -5.859  -7.141  -4.557
   23   HG22  THR   3          HG22      THR   3  -4.382  -6.210  -4.311
   24   HG23  THR   3          HG23      THR   3  -5.081  -6.345  -5.925
   25    H    LYS   4           HN       LYS   4  -5.087  -6.282  -1.492
   26    HA   LYS   4           HA       LYS   4  -3.473  -4.286  -0.323
   27    HB2  LYS   4           HB2      LYS   4  -3.172  -7.288  -0.419
   28    HB3  LYS   4           HB1      LYS   4  -2.109  -6.238   0.517
   29    HG2  LYS   4           HG2      LYS   4  -4.065  -5.429   1.773
   30    HG3  LYS   4           HG1      LYS   4  -5.082  -6.552   0.872
   31    HD2  LYS   4           HD2      LYS   4  -3.852  -8.433   1.775
   32    HD3  LYS   4           HD1      LYS   4  -2.741  -7.336   2.598
   33    HE2  LYS   4           HE2      LYS   4  -4.611  -6.456   3.922
   34    HE3  LYS   4           HE1      LYS   4  -5.701  -7.580   3.115
   35    HZ1  LYS   4           HZ1      LYS   4  -4.461  -9.414   4.047
   36    HZ2  LYS   4           HZ2      LYS   4  -4.997  -8.395   5.281
   37    HZ3  LYS   4           HZ3      LYS   4  -3.379  -8.352   4.793
   38    HA   PRO   5           HA       PRO   5  -0.578  -3.502  -3.542
   39    HB2  PRO   5           HB2      PRO   5   1.540  -2.743  -1.900
   40    HB3  PRO   5           HB1      PRO   5   0.252  -1.670  -2.481
   41    HG2  PRO   5           HG2      PRO   5   0.548  -3.012   0.149
   42    HG3  PRO   5           HG1      PRO   5  -0.118  -1.412  -0.250
   43    HD2  PRO   5           HD2      PRO   5  -1.709  -3.498   0.359
   44    HD3  PRO   5           HD1      PRO   5  -2.185  -2.263  -0.832
   45    H    THR   6           HN       THR   6   0.317  -5.084  -4.603
   46    HA   THR   6           HA       THR   6   1.602  -7.306  -3.312
   47    HB   THR   6           HB       THR   6   1.456  -6.690  -6.261
   48    HG1  THR   6           HG1      THR   6  -0.444  -7.798  -4.463
   49   HG21  THR   6          HG21      THR   6   1.698  -9.289  -4.744
   50   HG22  THR   6          HG22      THR   6   2.978  -8.506  -5.670
   51   HG23  THR   6          HG23      THR   6   1.552  -9.136  -6.494
   52    H    LYS   7           HN       LYS   7   2.549  -4.267  -4.194
   53    HA   LYS   7           HA       LYS   7   5.156  -4.745  -5.223
   54    HB2  LYS   7           HB2      LYS   7   4.136  -2.268  -3.834
   55    HB3  LYS   7           HB1      LYS   7   5.484  -2.373  -4.952
   56    HG2  LYS   7           HG2      LYS   7   2.604  -2.891  -5.658
   57    HG3  LYS   7           HG1      LYS   7   3.480  -1.391  -5.975
   58    HD2  LYS   7           HD2      LYS   7   4.998  -2.539  -7.463
   59    HD3  LYS   7           HD1      LYS   7   4.280  -4.098  -7.058
   60    HE2  LYS   7           HE2      LYS   7   3.490  -3.266  -9.224
   61    HE3  LYS   7           HE1      LYS   7   2.172  -3.408  -8.064
   62    HZ1  LYS   7           HZ1      LYS   7   2.360  -1.015  -7.657
   63    HZ2  LYS   7           HZ2      LYS   7   1.997  -1.354  -9.272
   64    HZ3  LYS   7           HZ3      LYS   7   3.568  -0.906  -8.838
   65    HA   PRO   8           HA       PRO   8   7.413  -5.668  -1.509
   66    HB2  PRO   8           HB2      PRO   8   9.746  -4.288  -2.076
   67    HB3  PRO   8           HB1      PRO   8   9.366  -5.916  -2.672
   68    HG2  PRO   8           HG2      PRO   8   9.102  -3.295  -4.041
   69    HG3  PRO   8           HG1      PRO   8   9.652  -4.854  -4.688
   70    HD2  PRO   8           HD2      PRO   8   7.177  -3.949  -5.193
   71    HD3  PRO   8           HD1      PRO   8   7.486  -5.678  -4.913
   72    H    GLY   9           HN       GLY   9   7.019  -4.763   0.363
   73    HA2  GLY   9           HA2      GLY   9   7.868  -2.077   0.961
   74    HA3  GLY   9           HA1      GLY   9   6.122  -2.285   0.945
   75    H    ASP  10           HN       ASP  10   8.434  -4.702   1.908
   76    HA   ASP  10           HA       ASP  10   7.551  -4.420   4.698
   77    HB2  ASP  10           HB2      ASP  10   7.987  -7.008   3.191
   78    HB3  ASP  10           HB1      ASP  10   7.603  -6.882   4.902
   79    H    ASN  11           HN       ASN  11   9.857  -6.447   2.914
   80    HA   ASN  11           HA       ASN  11  11.953  -5.601   4.782
   81    HB2  ASN  11           HB2      ASN  11  13.208  -7.564   3.995
   82    HB3  ASN  11           HB1      ASN  11  11.626  -8.018   4.610
   83   HD21  ASN  11          HD21      ASN  11  13.468  -9.339   2.704
   84   HD22  ASN  11          HD22      ASN  11  12.525  -9.623   1.284
   85    H    ALA  12           HN       ALA  12  10.814  -4.315   2.235
   86    HA   ALA  12           HA       ALA  12  12.957  -4.216   0.368
   87    HB1  ALA  12           HB1      ALA  12  10.640  -2.320   0.705
   88    HB2  ALA  12           HB2      ALA  12  10.619  -3.797  -0.257
   89    HB3  ALA  12           HB3      ALA  12  11.679  -2.468  -0.712
   90    H    THR  13           HN       THR  13  13.918  -2.069  -0.257
   91    HA   THR  13           HA       THR  13  15.497  -1.082   1.852
   92    HB   THR  13           HB       THR  13  16.236   0.617   0.166
   93    HG1  THR  13           HG1      THR  13  15.349   0.602  -1.854
   94   HG21  THR  13          HG21      THR  13  17.354  -1.531   0.353
   95   HG22  THR  13          HG22      THR  13  17.280  -1.025  -1.335
   96   HG23  THR  13          HG23      THR  13  16.172  -2.259  -0.733
   97    HA   PRO  14           HA       PRO  14  13.225   2.158   3.757
   98    HB2  PRO  14           HB2      PRO  14  15.129   4.188   3.757
   99    HB3  PRO  14           HB1      PRO  14  15.044   2.881   4.952
  100    HG2  PRO  14           HG2      PRO  14  16.771   3.136   2.550
  101    HG3  PRO  14           HG1      PRO  14  17.153   2.498   4.170
  102    HD2  PRO  14           HD2      PRO  14  16.708   0.836   2.126
  103    HD3  PRO  14           HD1      PRO  14  16.134   0.450   3.758
  104    H    GLU  15           HN       GLU  15  15.030   3.029   0.859
  105    HA   GLU  15           HA       GLU  15  13.588   5.361   0.205
  106    HB2  GLU  15           HB2      GLU  15  15.747   4.847  -0.803
  107    HB3  GLU  15           HB1      GLU  15  15.077   3.405  -1.554
  108    HG2  GLU  15           HG2      GLU  15  13.519   4.890  -2.831
  109    HG3  GLU  15           HG1      GLU  15  14.409   6.269  -2.183
  110    H    LYS  16           HN       LYS  16  13.136   1.961  -0.511
  111    HA   LYS  16           HA       LYS  16  11.004   2.355  -2.367
  112    HB2  LYS  16           HB2      LYS  16  12.512   0.397  -2.444
  113    HB3  LYS  16           HB1      LYS  16  11.870  -0.138  -0.897
  114    HG2  LYS  16           HG2      LYS  16  10.903  -1.371  -2.771
  115    HG3  LYS  16           HG1      LYS  16   9.680  -0.456  -1.886
  116    HD2  LYS  16           HD2      LYS  16   9.673   1.260  -3.578
  117    HD3  LYS  16           HD1      LYS  16  11.013   0.484  -4.423
  118    HE2  LYS  16           HE2      LYS  16   8.875   0.024  -5.509
  119    HE3  LYS  16           HE1      LYS  16   9.619  -1.448  -4.892
  120    HZ1  LYS  16           HZ1      LYS  16   7.436   0.065  -3.560
  121    HZ2  LYS  16           HZ2      LYS  16   8.134  -1.367  -2.985
  122    HZ3  LYS  16           HZ3      LYS  16   7.249  -1.372  -4.429
  123    H    LEU  17           HN       LEU  17  11.273   1.582   1.048
  124    HA   LEU  17           HA       LEU  17   8.597   0.975   1.556
  125    HB2  LEU  17           HB2      LEU  17  10.653   2.263   3.342
  126    HB3  LEU  17           HB1      LEU  17   9.107   1.657   3.898
  127    HG   LEU  17           HG       LEU  17  11.355   0.026   2.716
  128   HD11  LEU  17          HD11      LEU  17  11.496  -0.965   4.916
  129   HD12  LEU  17          HD12      LEU  17  10.171   0.050   5.483
  130   HD13  LEU  17          HD13      LEU  17  11.705   0.782   5.025
  131   HD21  LEU  17          HD21      LEU  17   9.911  -1.909   3.316
  132   HD22  LEU  17          HD22      LEU  17   9.289  -0.930   1.990
  133   HD23  LEU  17          HD23      LEU  17   8.590  -0.776   3.601
  134    H    ALA  18           HN       ALA  18  10.273   4.044   1.318
  135    HA   ALA  18           HA       ALA  18   8.222   5.686   2.309
  136    HB1  ALA  18           HB1      ALA  18  10.354   6.357   0.293
  137    HB2  ALA  18           HB2      ALA  18  10.537   6.428   2.045
  138    HB3  ALA  18           HB3      ALA  18   9.407   7.511   1.233
  139    H    LYS  19           HN       LYS  19   8.999   4.604  -0.985
  140    HA   LYS  19           HA       LYS  19   6.821   6.037  -2.156
  141    HB2  LYS  19           HB2      LYS  19   8.923   5.250  -3.362
  142    HB3  LYS  19           HB1      LYS  19   8.206   3.644  -3.362
  143    HG2  LYS  19           HG2      LYS  19   6.296   4.488  -4.611
  144    HG3  LYS  19           HG1      LYS  19   6.989   6.104  -4.592
  145    HD2  LYS  19           HD2      LYS  19   7.475   5.172  -6.717
  146    HD3  LYS  19           HD1      LYS  19   8.978   5.152  -5.795
  147    HE2  LYS  19           HE2      LYS  19   8.735   2.810  -5.338
  148    HE3  LYS  19           HE1      LYS  19   7.122   2.792  -6.047
  149    HZ1  LYS  19           HZ1      LYS  19   8.796   1.901  -7.560
  150    HZ2  LYS  19           HZ2      LYS  19   9.631   3.369  -7.522
  151    HZ3  LYS  19           HZ3      LYS  19   8.080   3.298  -8.190
  152    H    TYR  20           HN       TYR  20   7.300   2.846  -0.834
  153    HA   TYR  20           HA       TYR  20   4.887   1.670  -1.664
  154    HB2  TYR  20           HB2      TYR  20   6.608   0.283  -0.718
  155    HB3  TYR  20           HB1      TYR  20   6.603   1.209   0.780
  156    HD1  TYR  20           HD1      TYR  20   4.495  -1.057  -1.293
  157    HD2  TYR  20           HD2      TYR  20   5.237   0.571   2.570
  158    HE1  TYR  20           HE1      TYR  20   2.867  -2.621  -0.323
  159    HE2  TYR  20           HE2      TYR  20   3.609  -0.988   3.545
  160    HH   TYR  20           HH       TYR  20   2.370  -3.653   1.835
  161    H    GLN  21           HN       GLN  21   5.701   3.634   1.174
  162    HA   GLN  21           HA       GLN  21   3.227   3.388   2.469
  163    HB2  GLN  21           HB2      GLN  21   5.352   5.509   2.591
  164    HB3  GLN  21           HB1      GLN  21   3.892   5.588   3.568
  165    HG2  GLN  21           HG2      GLN  21   5.991   3.435   3.622
  166    HG3  GLN  21           HG1      GLN  21   5.665   4.637   4.871
  167   HE21  GLN  21          HE21      GLN  21   5.640   1.714   5.024
  168   HE22  GLN  21          HE22      GLN  21   4.059   1.279   5.575
  169    H    ALA  22           HN       ALA  22   4.261   5.458  -0.131
  170    HA   ALA  22           HA       ALA  22   2.129   7.299  -0.050
  171    HB1  ALA  22           HB1      ALA  22   4.168   7.716  -1.323
  172    HB2  ALA  22           HB2      ALA  22   2.750   7.813  -2.367
  173    HB3  ALA  22           HB3      ALA  22   3.778   6.380  -2.404
  174    H    ASP  23           HN       ASP  23   2.543   4.190  -1.650
  175    HA   ASP  23           HA       ASP  23  -0.063   4.322  -2.905
  176    HB2  ASP  23           HB2      ASP  23   1.788   3.219  -4.070
  177    HB3  ASP  23           HB1      ASP  23   1.964   2.076  -2.740
  178    H    LEU  24           HN       LEU  24   1.452   2.774  -0.164
  179    HA   LEU  24           HA       LEU  24  -0.651   1.081   0.625
  180    HB2  LEU  24           HB2      LEU  24   1.722   1.055   1.472
  181    HB3  LEU  24           HB1      LEU  24   1.363   2.506   2.376
  182    HG   LEU  24           HG       LEU  24   1.383   0.264   3.616
  183   HD11  LEU  24          HD11      LEU  24   0.610   2.324   4.620
  184   HD12  LEU  24          HD12      LEU  24  -0.424   0.980   5.100
  185   HD13  LEU  24          HD13      LEU  24  -0.972   2.119   3.870
  186   HD21  LEU  24          HD21      LEU  24   0.044  -1.013   2.062
  187   HD22  LEU  24          HD22      LEU  24  -1.312   0.088   2.289
  188   HD23  LEU  24          HD23      LEU  24  -0.766  -0.922   3.625
  189    H    ALA  25           HN       ALA  25   0.002   4.493   1.167
  190    HA   ALA  25           HA       ALA  25  -2.019   5.060   3.014
  191    HB1  ALA  25           HB1      ALA  25  -1.813   7.363   2.270
  192    HB2  ALA  25           HB2      ALA  25  -0.943   6.833   0.831
  193    HB3  ALA  25           HB3      ALA  25  -0.223   6.617   2.425
  194    H    LYS  26           HN       LYS  26  -2.073   4.789  -0.494
  195    HA   LYS  26           HA       LYS  26  -4.746   5.691  -0.823
  196    HB2  LYS  26           HB2      LYS  26  -3.100   5.662  -2.667
  197    HB3  LYS  26           HB1      LYS  26  -3.103   3.906  -2.630
  198    HG2  LYS  26           HG2      LYS  26  -5.404   3.836  -3.309
  199    HG3  LYS  26           HG1      LYS  26  -5.534   5.589  -3.191
  200    HD2  LYS  26           HD2      LYS  26  -3.695   4.126  -5.081
  201    HD3  LYS  26           HD1      LYS  26  -5.279   4.768  -5.518
  202    HE2  LYS  26           HE2      LYS  26  -2.896   6.348  -4.558
  203    HE3  LYS  26           HE1      LYS  26  -3.548   6.317  -6.194
  204    HZ1  LYS  26           HZ1      LYS  26  -5.610   7.277  -5.323
  205    HZ2  LYS  26           HZ2      LYS  26  -4.279   8.281  -5.046
  206    HZ3  LYS  26           HZ3      LYS  26  -4.921   7.365  -3.781
  207    H    TYR  27           HN       TYR  27  -3.246   2.526  -0.387
  208    HA   TYR  27           HA       TYR  27  -5.559   0.954  -0.604
  209    HB2  TYR  27           HB2      TYR  27  -3.421  -0.145  -0.535
  210    HB3  TYR  27           HB1      TYR  27  -3.039   0.577   1.020
  211    HD1  TYR  27           HD1      TYR  27  -5.236  -1.886  -0.658
  212    HD2  TYR  27           HD2      TYR  27  -3.684  -0.476   3.044
  213    HE1  TYR  27           HE1      TYR  27  -6.135  -3.871   0.468
  214    HE2  TYR  27           HE2      TYR  27  -4.585  -2.460   4.178
  215    HH   TYR  27           HH       TYR  27  -5.824  -5.166   2.446
  216    H    GLN  28           HN       GLN  28  -4.136   2.653   2.147
  217    HA   GLN  28           HA       GLN  28  -5.985   1.860   4.101
  218    HB2  GLN  28           HB2      GLN  28  -4.364   4.399   3.847
  219    HB3  GLN  28           HB1      GLN  28  -5.305   3.982   5.270
  220    HG2  GLN  28           HG2      GLN  28  -3.936   2.026   5.653
  221    HG3  GLN  28           HG1      GLN  28  -3.038   2.334   4.164
  222   HE21  GLN  28          HE21      GLN  28  -2.073   2.170   6.930
  223   HE22  GLN  28          HE22      GLN  28  -1.290   3.678   7.244
  224    H    LYS  29           HN       LYS  29  -6.002   4.518   1.789
  225    HA   LYS  29           HA       LYS  29  -8.285   5.832   2.760
  226    HB2  LYS  29           HB2      LYS  29  -6.635   6.797   1.158
  227    HB3  LYS  29           HB1      LYS  29  -7.292   5.750  -0.093
  228    HG2  LYS  29           HG2      LYS  29  -8.184   8.000  -0.281
  229    HG3  LYS  29           HG1      LYS  29  -9.459   6.848   0.112
  230    HD2  LYS  29           HD2      LYS  29  -9.733   8.867   1.422
  231    HD3  LYS  29           HD1      LYS  29  -9.311   7.519   2.477
  232    HE2  LYS  29           HE2      LYS  29  -6.956   8.286   2.440
  233    HE3  LYS  29           HE1      LYS  29  -7.455   9.677   1.480
  234    HZ1  LYS  29           HZ1      LYS  29  -8.935  10.310   3.325
  235    HZ2  LYS  29           HZ2      LYS  29  -7.308  10.296   3.772
  236    HZ3  LYS  29           HZ3      LYS  29  -8.320   9.031   4.245
  237    H    ASP  30           HN       ASP  30  -7.932   3.449   0.125
  238    HA   ASP  30           HA       ASP  30 -10.681   3.192  -0.435
  239    HB2  ASP  30           HB2      ASP  30  -8.322   1.373  -0.858
  240    HB3  ASP  30           HB1      ASP  30  -9.957   0.817  -1.210
  241    H    LEU  31           HN       LEU  31  -8.579   1.605   1.879
  242    HA   LEU  31           HA       LEU  31 -10.367  -0.363   2.798
  243    HB2  LEU  31           HB2      LEU  31  -7.870  -0.212   3.196
  244    HB3  LEU  31           HB1      LEU  31  -8.216   1.003   4.410
  245    HG   LEU  31           HG       LEU  31  -9.528  -0.674   5.678
  246   HD11  LEU  31          HD11      LEU  31  -8.527  -2.534   3.525
  247   HD12  LEU  31          HD12      LEU  31 -10.206  -2.165   3.923
  248   HD13  LEU  31          HD13      LEU  31  -9.206  -3.062   5.063
  249   HD21  LEU  31          HD21      LEU  31  -7.200  -0.242   6.217
  250   HD22  LEU  31          HD22      LEU  31  -6.684  -1.433   5.024
  251   HD23  LEU  31          HD23      LEU  31  -7.580  -1.948   6.454
  252    H    ALA  32           HN       ALA  32  -9.748   2.941   3.862
  253    HA   ALA  32           HA       ALA  32 -11.486   2.962   6.072
  254    HB1  ALA  32           HB1      ALA  32  -9.755   4.660   5.660
  255    HB2  ALA  32           HB2      ALA  32 -11.344   5.373   5.943
  256    HB3  ALA  32           HB3      ALA  32 -10.704   5.267   4.302
  257    H    ASP  33           HN       ASP  33 -11.955   3.728   2.673
  258    HA   ASP  33           HA       ASP  33 -14.633   4.642   2.942
  259    HB2  ASP  33           HB2      ASP  33 -13.216   5.273   1.035
  260    HB3  ASP  33           HB1      ASP  33 -13.181   3.596   0.500
  261    H    TYR  34           HN       TYR  34 -13.161   1.533   2.408
  262    HA   TYR  34           HA       TYR  34 -15.581   0.206   1.634
  263    HB2  TYR  34           HB2      TYR  34 -13.376  -0.587   0.892
  264    HB3  TYR  34           HB1      TYR  34 -12.931  -0.920   2.561
  265    HD1  TYR  34           HD1      TYR  34 -15.420  -1.846  -0.042
  266    HD2  TYR  34           HD2      TYR  34 -13.346  -3.017   3.474
  267    HE1  TYR  34           HE1      TYR  34 -16.332  -4.108  -0.263
  268    HE2  TYR  34           HE2      TYR  34 -14.257  -5.285   3.266
  269    HH   TYR  34           HH       TYR  34 -15.727  -6.414   0.446
  270    HN1  NH2  35           HN1      NH2  35 -17.104   0.471   3.193
  271    HN2  NH2  35           HN2      NH2  35 -16.989  -0.181   4.786
  Start of MODEL   11
    1    H1   ACE   0           HA1      ACE   0 -14.507  -3.664  -5.706
    2    H2   ACE   0           HA2      ACE   0 -13.320  -2.958  -4.611
    3    H3   ACE   0           HA3      ACE   0 -14.773  -3.692  -3.938
    4    HA   PRO   1           HA       PRO   1 -12.960  -4.133  -1.971
    5    HB2  PRO   1           HB2      PRO   1 -11.465  -6.237  -0.865
    6    HB3  PRO   1           HB1      PRO   1 -13.137  -5.829  -0.449
    7    HG2  PRO   1           HG2      PRO   1 -12.109  -7.926  -2.270
    8    HG3  PRO   1           HG1      PRO   1 -13.526  -7.941  -1.201
    9    HD2  PRO   1           HD2      PRO   1 -13.791  -7.627  -3.856
   10    HD3  PRO   1           HD1      PRO   1 -14.847  -6.773  -2.709
   11    HA   PRO   2           HA       PRO   2  -9.018  -3.014  -3.686
   12    HB2  PRO   2           HB2      PRO   2  -7.992  -1.688  -1.509
   13    HB3  PRO   2           HB1      PRO   2  -9.178  -0.979  -2.626
   14    HG2  PRO   2           HG2      PRO   2  -9.613  -2.231   0.040
   15    HG3  PRO   2           HG1      PRO   2 -10.340  -0.763  -0.651
   16    HD2  PRO   2           HD2      PRO   2 -11.681  -3.094  -0.583
   17    HD3  PRO   2           HD1      PRO   2 -11.853  -1.960  -1.939
   18    H    THR   3           HN       THR   3  -7.306  -4.291  -3.916
   19    HA   THR   3           HA       THR   3  -6.623  -6.260  -1.941
   20    HB   THR   3           HB       THR   3  -5.204  -5.591  -4.523
   21    HG1  THR   3           HG1      THR   3  -7.445  -7.254  -3.966
   22   HG21  THR   3          HG21      THR   3  -3.913  -7.025  -3.032
   23   HG22  THR   3          HG22      THR   3  -4.478  -7.936  -4.432
   24   HG23  THR   3          HG23      THR   3  -5.287  -8.120  -2.875
   25    H    LYS   4           HN       LYS   4  -4.802  -6.347  -0.673
   26    HA   LYS   4           HA       LYS   4  -3.491  -3.960   0.046
   27    HB2  LYS   4           HB2      LYS   4  -2.670  -6.837   0.514
   28    HB3  LYS   4           HB1      LYS   4  -1.938  -5.443   1.306
   29    HG2  LYS   4           HG2      LYS   4  -4.126  -4.904   2.302
   30    HG3  LYS   4           HG1      LYS   4  -4.795  -6.360   1.564
   31    HD2  LYS   4           HD2      LYS   4  -3.219  -7.729   2.825
   32    HD3  LYS   4           HD1      LYS   4  -2.519  -6.275   3.538
   33    HE2  LYS   4           HE2      LYS   4  -5.360  -7.230   3.876
   34    HE3  LYS   4           HE1      LYS   4  -4.078  -7.355   5.077
   35    HZ1  LYS   4           HZ1      LYS   4  -5.317  -4.867   4.033
   36    HZ2  LYS   4           HZ2      LYS   4  -3.945  -4.890   5.025
   37    HZ3  LYS   4           HZ3      LYS   4  -5.417  -5.482   5.608
   38    HA   PRO   5           HA       PRO   5  -0.553  -3.276  -3.075
   39    HB2  PRO   5           HB2      PRO   5   1.567  -2.972  -1.019
   40    HB3  PRO   5           HB1      PRO   5   1.012  -1.821  -2.253
   41    HG2  PRO   5           HG2      PRO   5   0.397  -1.472   0.298
   42    HG3  PRO   5           HG1      PRO   5  -0.771  -1.106  -0.996
   43    HD2  PRO   5           HD2      PRO   5  -0.672  -3.461   0.847
   44    HD3  PRO   5           HD1      PRO   5  -2.079  -2.559   0.236
   45    H    THR   6           HN       THR   6   0.484  -4.570  -4.386
   46    HA   THR   6           HA       THR   6   1.588  -7.077  -3.503
   47    HB   THR   6           HB       THR   6   1.756  -5.868  -6.263
   48    HG1  THR   6           HG1      THR   6  -0.452  -6.347  -4.957
   49   HG21  THR   6          HG21      THR   6   1.728  -8.721  -5.280
   50   HG22  THR   6          HG22      THR   6   3.118  -7.854  -5.934
   51   HG23  THR   6          HG23      THR   6   1.744  -8.230  -6.974
   52    H    LYS   7           HN       LYS   7   2.677  -3.924  -3.912
   53    HA   LYS   7           HA       LYS   7   5.320  -4.234  -4.752
   54    HB2  LYS   7           HB2      LYS   7   4.130  -2.168  -2.896
   55    HB3  LYS   7           HB1      LYS   7   5.688  -2.030  -3.695
   56    HG2  LYS   7           HG2      LYS   7   4.614  -1.991  -5.863
   57    HG3  LYS   7           HG1      LYS   7   3.035  -2.240  -5.108
   58    HD2  LYS   7           HD2      LYS   7   3.302  -0.107  -3.900
   59    HD3  LYS   7           HD1      LYS   7   4.846   0.146  -4.713
   60    HE2  LYS   7           HE2      LYS   7   3.087   1.409  -5.813
   61    HE3  LYS   7           HE1      LYS   7   3.695   0.144  -6.880
   62    HZ1  LYS   7           HZ1      LYS   7   1.785  -1.204  -6.349
   63    HZ2  LYS   7           HZ2      LYS   7   1.268   0.309  -6.900
   64    HZ3  LYS   7           HZ3      LYS   7   1.220  -0.048  -5.244
   65    HA   PRO   8           HA       PRO   8   7.372  -6.049  -1.299
   66    HB2  PRO   8           HB2      PRO   8   9.840  -4.913  -1.522
   67    HB3  PRO   8           HB1      PRO   8   9.260  -6.189  -2.608
   68    HG2  PRO   8           HG2      PRO   8   9.378  -3.253  -3.048
   69    HG3  PRO   8           HG1      PRO   8   9.753  -4.578  -4.167
   70    HD2  PRO   8           HD2      PRO   8   7.403  -3.218  -4.252
   71    HD3  PRO   8           HD1      PRO   8   7.541  -4.932  -4.706
   72    H    GLY   9           HN       GLY   9   7.262  -5.617   0.779
   73    HA2  GLY   9           HA2      GLY   9   7.982  -2.928   1.725
   74    HA3  GLY   9           HA1      GLY   9   6.453  -3.644   2.214
   75    H    ASP  10           HN       ASP  10   8.739  -6.024   1.849
   76    HA   ASP  10           HA       ASP  10   9.317  -5.991   4.733
   77    HB2  ASP  10           HB2      ASP  10   8.746  -8.339   2.927
   78    HB3  ASP  10           HB1      ASP  10   9.402  -8.506   4.553
   79    H    ASN  11           HN       ASN  11  10.563  -6.763   1.536
   80    HA   ASN  11           HA       ASN  11  13.265  -6.747   2.712
   81    HB2  ASN  11           HB2      ASN  11  14.000  -8.138   0.795
   82    HB3  ASN  11           HB1      ASN  11  12.803  -8.944   1.793
   83   HD21  ASN  11          HD21      ASN  11  10.865  -9.510   0.925
   84   HD22  ASN  11          HD22      ASN  11  10.469  -9.308  -0.748
   85    H    ALA  12           HN       ALA  12  11.745  -4.462   1.894
   86    HA   ALA  12           HA       ALA  12  12.949  -3.678  -0.655
   87    HB1  ALA  12           HB1      ALA  12  10.789  -2.254   0.875
   88    HB2  ALA  12           HB2      ALA  12  10.483  -3.501  -0.332
   89    HB3  ALA  12           HB3      ALA  12  11.273  -1.998  -0.801
   90    H    THR  13           HN       THR  13  13.938  -1.667  -0.914
   91    HA   THR  13           HA       THR  13  15.638  -0.795   1.178
   92    HB   THR  13           HB       THR  13  16.153   1.087  -0.414
   93    HG1  THR  13           HG1      THR  13  14.838  -0.154  -2.494
   94   HG21  THR  13          HG21      THR  13  17.438  -0.971  -0.453
   95   HG22  THR  13          HG22      THR  13  17.213  -0.364  -2.093
   96   HG23  THR  13          HG23      THR  13  16.243  -1.718  -1.511
   97    HA   PRO  14           HA       PRO  14  13.270   2.257   3.323
   98    HB2  PRO  14           HB2      PRO  14  15.055   4.386   3.338
   99    HB3  PRO  14           HB1      PRO  14  15.081   3.039   4.488
  100    HG2  PRO  14           HG2      PRO  14  16.721   3.482   2.060
  101    HG3  PRO  14           HG1      PRO  14  17.178   2.792   3.640
  102    HD2  PRO  14           HD2      PRO  14  16.756   1.213   1.511
  103    HD3  PRO  14           HD1      PRO  14  16.286   0.708   3.144
  104    H    GLU  15           HN       GLU  15  14.873   3.231   0.337
  105    HA   GLU  15           HA       GLU  15  13.269   5.490  -0.204
  106    HB2  GLU  15           HB2      GLU  15  15.383   5.094  -1.368
  107    HB3  GLU  15           HB1      GLU  15  14.718   3.646  -2.112
  108    HG2  GLU  15           HG2      GLU  15  13.003   5.077  -3.221
  109    HG3  GLU  15           HG1      GLU  15  13.842   6.486  -2.576
  110    H    LYS  16           HN       LYS  16  13.056   2.105  -1.221
  111    HA   LYS  16           HA       LYS  16  10.696   2.422  -2.750
  112    HB2  LYS  16           HB2      LYS  16  12.222   0.559  -3.138
  113    HB3  LYS  16           HB1      LYS  16  11.937  -0.041  -1.512
  114    HG2  LYS  16           HG2      LYS  16  10.723  -1.359  -3.143
  115    HG3  LYS  16           HG1      LYS  16   9.605  -0.502  -2.082
  116    HD2  LYS  16           HD2      LYS  16   8.806  -0.373  -4.355
  117    HD3  LYS  16           HD1      LYS  16   9.330   1.228  -3.834
  118    HE2  LYS  16           HE2      LYS  16  10.090   0.820  -6.086
  119    HE3  LYS  16           HE1      LYS  16  11.475   0.872  -5.000
  120    HZ1  LYS  16           HZ1      LYS  16  10.187  -1.588  -6.052
  121    HZ2  LYS  16           HZ2      LYS  16  11.511  -1.549  -5.002
  122    HZ3  LYS  16           HZ3      LYS  16  11.658  -0.940  -6.571
  123    H    LEU  17           HN       LEU  17  11.334   1.543   0.600
  124    HA   LEU  17           HA       LEU  17   8.736   0.812   1.317
  125    HB2  LEU  17           HB2      LEU  17  10.963   2.026   2.922
  126    HB3  LEU  17           HB1      LEU  17   9.447   1.525   3.639
  127    HG   LEU  17           HG       LEU  17  11.430  -0.261   2.230
  128   HD11  LEU  17          HD11      LEU  17  10.619  -0.120   5.130
  129   HD12  LEU  17          HD12      LEU  17  12.121   0.512   4.461
  130   HD13  LEU  17          HD13      LEU  17  11.801  -1.219   4.418
  131   HD21  LEU  17          HD21      LEU  17   8.780  -0.880   3.523
  132   HD22  LEU  17          HD22      LEU  17   9.961  -2.088   3.023
  133   HD23  LEU  17          HD23      LEU  17   9.195  -1.055   1.818
  134    H    ALA  18           HN       ALA  18  10.252   3.972   1.051
  135    HA   ALA  18           HA       ALA  18   8.189   5.468   2.241
  136    HB1  ALA  18           HB1      ALA  18  10.408   6.388   1.827
  137    HB2  ALA  18           HB2      ALA  18   9.161   7.383   1.075
  138    HB3  ALA  18           HB3      ALA  18  10.129   6.286   0.089
  139    H    LYS  19           HN       LYS  19   8.801   4.497  -1.095
  140    HA   LYS  19           HA       LYS  19   6.518   5.730  -2.229
  141    HB2  LYS  19           HB2      LYS  19   8.572   4.854  -3.438
  142    HB3  LYS  19           HB1      LYS  19   7.921   3.239  -3.212
  143    HG2  LYS  19           HG2      LYS  19   7.381   3.928  -5.413
  144    HG3  LYS  19           HG1      LYS  19   5.889   3.971  -4.471
  145    HD2  LYS  19           HD2      LYS  19   5.995   6.346  -4.274
  146    HD3  LYS  19           HD1      LYS  19   7.625   6.387  -4.948
  147    HE2  LYS  19           HE2      LYS  19   6.046   7.088  -6.630
  148    HE3  LYS  19           HE1      LYS  19   6.728   5.529  -7.081
  149    HZ1  LYS  19           HZ1      LYS  19   4.350   5.588  -7.448
  150    HZ2  LYS  19           HZ2      LYS  19   4.076   5.958  -5.825
  151    HZ3  LYS  19           HZ3      LYS  19   4.728   4.458  -6.249
  152    H    TYR  20           HN       TYR  20   7.173   2.596  -0.829
  153    HA   TYR  20           HA       TYR  20   4.729   1.326  -1.369
  154    HB2  TYR  20           HB2      TYR  20   6.729   0.128  -0.628
  155    HB3  TYR  20           HB1      TYR  20   6.667   0.956   0.923
  156    HD1  TYR  20           HD1      TYR  20   4.836  -1.450  -1.226
  157    HD2  TYR  20           HD2      TYR  20   5.414   0.071   2.707
  158    HE1  TYR  20           HE1      TYR  20   3.472  -3.281  -0.321
  159    HE2  TYR  20           HE2      TYR  20   4.045  -1.758   3.621
  160    HH   TYR  20           HH       TYR  20   2.375  -3.332   2.940
  161    H    GLN  21           HN       GLN  21   5.802   3.302   1.380
  162    HA   GLN  21           HA       GLN  21   3.487   2.990   2.939
  163    HB2  GLN  21           HB2      GLN  21   5.503   5.230   2.847
  164    HB3  GLN  21           HB1      GLN  21   4.219   5.127   4.041
  165    HG2  GLN  21           HG2      GLN  21   6.455   3.153   3.640
  166    HG3  GLN  21           HG1      GLN  21   6.290   4.305   4.965
  167   HE21  GLN  21          HE21      GLN  21   6.512   1.402   5.058
  168   HE22  GLN  21          HE22      GLN  21   5.092   0.834   5.866
  169    H    ALA  22           HN       ALA  22   4.284   5.253   0.372
  170    HA   ALA  22           HA       ALA  22   2.012   6.912   0.691
  171    HB1  ALA  22           HB1      ALA  22   2.533   7.641  -1.635
  172    HB2  ALA  22           HB2      ALA  22   3.783   6.396  -1.692
  173    HB3  ALA  22           HB3      ALA  22   3.906   7.719  -0.534
  174    H    ASP  23           HN       ASP  23   2.659   3.999  -1.160
  175    HA   ASP  23           HA       ASP  23   0.150   4.064  -2.559
  176    HB2  ASP  23           HB2      ASP  23   2.274   2.970  -3.408
  177    HB3  ASP  23           HB1      ASP  23   2.007   1.697  -2.216
  178    H    LEU  24           HN       LEU  24   1.455   2.487   0.280
  179    HA   LEU  24           HA       LEU  24  -0.799   0.918   0.934
  180    HB2  LEU  24           HB2      LEU  24   1.378   0.563   1.984
  181    HB3  LEU  24           HB1      LEU  24   1.312   2.161   2.702
  182    HG   LEU  24           HG       LEU  24  -0.677   1.427   4.018
  183   HD11  LEU  24          HD11      LEU  24  -1.205  -0.906   4.187
  184   HD12  LEU  24          HD12      LEU  24   0.071  -1.319   3.044
  185   HD13  LEU  24          HD13      LEU  24  -1.336  -0.408   2.500
  186   HD21  LEU  24          HD21      LEU  24   1.827  -0.204   4.410
  187   HD22  LEU  24          HD22      LEU  24   0.606   0.144   5.633
  188   HD23  LEU  24          HD23      LEU  24   1.583   1.452   4.964
  189    H    ALA  25           HN       ALA  25   0.090   4.260   1.585
  190    HA   ALA  25           HA       ALA  25  -1.952   4.912   3.378
  191    HB1  ALA  25           HB1      ALA  25  -1.522   7.216   2.785
  192    HB2  ALA  25           HB2      ALA  25  -0.675   6.706   1.324
  193    HB3  ALA  25           HB3      ALA  25   0.000   6.334   2.909
  194    H    LYS  26           HN       LYS  26  -1.865   5.032  -0.171
  195    HA   LYS  26           HA       LYS  26  -4.476   5.993  -0.542
  196    HB2  LYS  26           HB2      LYS  26  -2.796   5.848  -2.367
  197    HB3  LYS  26           HB1      LYS  26  -2.958   4.098  -2.348
  198    HG2  LYS  26           HG2      LYS  26  -5.321   4.307  -2.949
  199    HG3  LYS  26           HG1      LYS  26  -5.154   6.062  -2.978
  200    HD2  LYS  26           HD2      LYS  26  -3.517   5.874  -4.784
  201    HD3  LYS  26           HD1      LYS  26  -3.681   4.118  -4.751
  202    HE2  LYS  26           HE2      LYS  26  -5.926   6.049  -5.326
  203    HE3  LYS  26           HE1      LYS  26  -4.998   5.191  -6.554
  204    HZ1  LYS  26           HZ1      LYS  26  -7.122   4.112  -6.030
  205    HZ2  LYS  26           HZ2      LYS  26  -6.618   3.871  -4.430
  206    HZ3  LYS  26           HZ3      LYS  26  -5.803   3.107  -5.709
  207    H    TYR  27           HN       TYR  27  -3.202   2.720  -0.186
  208    HA   TYR  27           HA       TYR  27  -5.610   1.337  -0.603
  209    HB2  TYR  27           HB2      TYR  27  -3.587   0.074  -0.620
  210    HB3  TYR  27           HB1      TYR  27  -3.142   0.644   0.982
  211    HD1  TYR  27           HD1      TYR  27  -5.637  -1.449  -0.816
  212    HD2  TYR  27           HD2      TYR  27  -3.752  -0.573   2.897
  213    HE1  TYR  27           HE1      TYR  27  -6.704  -3.418   0.189
  214    HE2  TYR  27           HE2      TYR  27  -4.819  -2.540   3.909
  215    HH   TYR  27           HH       TYR  27  -6.539  -4.882   1.996
  216    H    GLN  28           HN       GLN  28  -4.183   2.725   2.315
  217    HA   GLN  28           HA       GLN  28  -6.088   1.784   4.152
  218    HB2  GLN  28           HB2      GLN  28  -4.506   4.367   4.194
  219    HB3  GLN  28           HB1      GLN  28  -5.389   3.707   5.561
  220    HG2  GLN  28           HG2      GLN  28  -3.927   1.737   5.552
  221    HG3  GLN  28           HG1      GLN  28  -3.036   2.416   4.188
  222   HE21  GLN  28          HE21      GLN  28  -1.110   2.506   5.324
  223   HE22  GLN  28          HE22      GLN  28  -0.823   3.650   6.583
  224    H    LYS  29           HN       LYS  29  -5.964   4.694   2.168
  225    HA   LYS  29           HA       LYS  29  -8.368   5.843   3.074
  226    HB2  LYS  29           HB2      LYS  29  -6.682   7.103   1.812
  227    HB3  LYS  29           HB1      LYS  29  -6.999   6.118   0.389
  228    HG2  LYS  29           HG2      LYS  29  -9.273   6.979   0.284
  229    HG3  LYS  29           HG1      LYS  29  -8.980   7.949   1.729
  230    HD2  LYS  29           HD2      LYS  29  -7.286   9.227   0.575
  231    HD3  LYS  29           HD1      LYS  29  -7.439   8.198  -0.851
  232    HE2  LYS  29           HE2      LYS  29  -9.599   9.964   0.294
  233    HE3  LYS  29           HE1      LYS  29  -8.626  10.323  -1.131
  234    HZ1  LYS  29           HZ1      LYS  29 -10.736   9.437  -1.795
  235    HZ2  LYS  29           HZ2      LYS  29 -10.532   8.070  -0.825
  236    HZ3  LYS  29           HZ3      LYS  29  -9.534   8.310  -2.167
  237    H    ASP  30           HN       ASP  30  -7.651   3.783   0.266
  238    HA   ASP  30           HA       ASP  30 -10.286   3.628  -0.702
  239    HB2  ASP  30           HB2      ASP  30  -7.868   1.880  -1.073
  240    HB3  ASP  30           HB1      ASP  30  -9.426   1.436  -1.770
  241    H    LEU  31           HN       LEU  31  -8.554   1.699   1.658
  242    HA   LEU  31           HA       LEU  31 -10.448  -0.355   1.972
  243    HB2  LEU  31           HB2      LEU  31  -8.109  -0.366   2.855
  244    HB3  LEU  31           HB1      LEU  31  -8.598   0.803   4.065
  245    HG   LEU  31           HG       LEU  31 -10.131  -0.842   5.048
  246   HD11  LEU  31          HD11      LEU  31  -9.965  -3.203   4.324
  247   HD12  LEU  31          HD12      LEU  31  -9.032  -2.677   2.923
  248   HD13  LEU  31          HD13      LEU  31 -10.707  -2.156   3.118
  249   HD21  LEU  31          HD21      LEU  31  -7.300  -1.814   4.679
  250   HD22  LEU  31          HD22      LEU  31  -8.409  -2.342   5.948
  251   HD23  LEU  31          HD23      LEU  31  -7.865  -0.665   5.894
  252    H    ALA  32           HN       ALA  32  -9.999   2.667   3.775
  253    HA   ALA  32           HA       ALA  32 -12.297   2.429   5.389
  254    HB1  ALA  32           HB1      ALA  32 -10.860   4.907   4.468
  255    HB2  ALA  32           HB2      ALA  32 -10.457   3.952   5.895
  256    HB3  ALA  32           HB3      ALA  32 -11.997   4.809   5.813
  257    H    ASP  33           HN       ASP  33 -11.704   3.753   2.224
  258    HA   ASP  33           HA       ASP  33 -14.180   5.019   1.805
  259    HB2  ASP  33           HB2      ASP  33 -12.283   5.545   0.414
  260    HB3  ASP  33           HB1      ASP  33 -12.152   3.876  -0.123
  261    H    TYR  34           HN       TYR  34 -13.051   1.743   1.159
  262    HA   TYR  34           HA       TYR  34 -15.460   0.910  -0.134
  263    HB2  TYR  34           HB2      TYR  34 -13.231  -0.146  -0.515
  264    HB3  TYR  34           HB1      TYR  34 -13.302  -0.795   1.119
  265    HD1  TYR  34           HD1      TYR  34 -15.254  -0.745  -2.050
  266    HD2  TYR  34           HD2      TYR  34 -14.181  -2.921   1.441
  267    HE1  TYR  34           HE1      TYR  34 -16.470  -2.693  -2.900
  268    HE2  TYR  34           HE2      TYR  34 -15.397  -4.881   0.598
  269    HH   TYR  34           HH       TYR  34 -17.254  -5.358  -0.994
  270    HN1  NH2  35           HN1      NH2  35 -14.126   0.574   3.103
  271    HN2  NH2  35           HN2      NH2  35 -15.584   0.025   3.853
  Start of MODEL   12
    1    H1   ACE   0           HA1      ACE   0 -13.470  -1.058  -2.863
    2    H2   ACE   0           HA2      ACE   0 -14.994  -1.880  -3.192
    3    H3   ACE   0           HA3      ACE   0 -14.433  -0.641  -4.312
    4    HA   PRO   1           HA       PRO   1 -12.680  -3.317  -1.830
    5    HB2  PRO   1           HB2      PRO   1 -11.417  -5.760  -2.205
    6    HB3  PRO   1           HB1      PRO   1 -13.071  -5.566  -1.596
    7    HG2  PRO   1           HG2      PRO   1 -12.136  -6.203  -4.343
    8    HG3  PRO   1           HG1      PRO   1 -13.518  -6.856  -3.438
    9    HD2  PRO   1           HD2      PRO   1 -13.872  -5.001  -5.340
   10    HD3  PRO   1           HD1      PRO   1 -14.843  -4.991  -3.854
   11    HA   PRO   2           HA       PRO   2  -8.786  -1.651  -3.221
   12    HB2  PRO   2           HB2      PRO   2  -7.620  -1.425  -0.746
   13    HB3  PRO   2           HB1      PRO   2  -8.798  -0.262  -1.389
   14    HG2  PRO   2           HG2      PRO   2  -9.213  -2.507   0.519
   15    HG3  PRO   2           HG1      PRO   2  -9.879  -0.860   0.547
   16    HD2  PRO   2           HD2      PRO   2 -11.339  -2.960  -0.301
   17    HD3  PRO   2           HD1      PRO   2 -11.511  -1.346  -1.020
   18    H    THR   3           HN       THR   3  -6.958  -2.611  -3.877
   19    HA   THR   3           HA       THR   3  -6.384  -5.295  -2.914
   20    HB   THR   3           HB       THR   3  -5.054  -3.788  -5.165
   21    HG1  THR   3           HG1      THR   3  -7.090  -3.957  -5.895
   22   HG21  THR   3          HG21      THR   3  -3.818  -5.735  -4.340
   23   HG22  THR   3          HG22      THR   3  -4.452  -6.024  -5.960
   24   HG23  THR   3          HG23      THR   3  -5.250  -6.738  -4.560
   25    H    LYS   4           HN       LYS   4  -4.695  -5.778  -1.648
   26    HA   LYS   4           HA       LYS   4  -3.199  -3.759  -0.373
   27    HB2  LYS   4           HB2      LYS   4  -2.855  -6.752  -0.508
   28    HB3  LYS   4           HB1      LYS   4  -1.794  -5.716   0.449
   29    HG2  LYS   4           HG2      LYS   4  -3.680  -4.961   1.765
   30    HG3  LYS   4           HG1      LYS   4  -4.780  -5.922   0.776
   31    HD2  LYS   4           HD2      LYS   4  -3.692  -7.963   1.515
   32    HD3  LYS   4           HD1      LYS   4  -2.520  -7.022   2.440
   33    HE2  LYS   4           HE2      LYS   4  -4.294  -7.938   3.868
   34    HE3  LYS   4           HE1      LYS   4  -4.287  -6.177   3.872
   35    HZ1  LYS   4           HZ1      LYS   4  -6.139  -6.160   2.368
   36    HZ2  LYS   4           HZ2      LYS   4  -6.527  -7.142   3.690
   37    HZ3  LYS   4           HZ3      LYS   4  -6.097  -7.845   2.216
   38    HA   PRO   5           HA       PRO   5  -0.006  -2.804  -3.198
   39    HB2  PRO   5           HB2      PRO   5   1.938  -2.957  -0.968
   40    HB3  PRO   5           HB1      PRO   5   1.541  -1.591  -2.032
   41    HG2  PRO   5           HG2      PRO   5   0.756  -1.626   0.502
   42    HG3  PRO   5           HG1      PRO   5  -0.271  -0.955  -0.789
   43    HD2  PRO   5           HD2      PRO   5  -0.494  -3.582   0.625
   44    HD3  PRO   5           HD1      PRO   5  -1.777  -2.479   0.072
   45    H    THR   6           HN       THR   6   0.981  -4.063  -4.601
   46    HA   THR   6           HA       THR   6   1.765  -6.741  -3.905
   47    HB   THR   6           HB       THR   6   2.327  -5.411  -6.536
   48    HG1  THR   6           HG1      THR   6  -0.175  -6.383  -5.556
   49   HG21  THR   6          HG21      THR   6   1.895  -7.648  -7.415
   50   HG22  THR   6          HG22      THR   6   1.513  -8.219  -5.791
   51   HG23  THR   6          HG23      THR   6   3.150  -7.693  -6.177
   52    H    LYS   7           HN       LYS   7   3.217  -3.692  -4.032
   53    HA   LYS   7           HA       LYS   7   5.891  -4.428  -4.663
   54    HB2  LYS   7           HB2      LYS   7   4.978  -2.016  -3.081
   55    HB3  LYS   7           HB1      LYS   7   6.456  -2.180  -4.016
   56    HG2  LYS   7           HG2      LYS   7   5.211  -2.208  -6.079
   57    HG3  LYS   7           HG1      LYS   7   3.683  -2.199  -5.193
   58    HD2  LYS   7           HD2      LYS   7   4.361   0.010  -4.220
   59    HD3  LYS   7           HD1      LYS   7   5.750   0.000  -5.308
   60    HE2  LYS   7           HE2      LYS   7   2.837  -0.028  -6.099
   61    HE3  LYS   7           HE1      LYS   7   3.958   1.322  -6.263
   62    HZ1  LYS   7           HZ1      LYS   7   4.216  -1.286  -7.662
   63    HZ2  LYS   7           HZ2      LYS   7   5.227   0.058  -7.859
   64    HZ3  LYS   7           HZ3      LYS   7   3.612   0.134  -8.353
   65    HA   PRO   8           HA       PRO   8   7.131  -6.307  -0.842
   66    HB2  PRO   8           HB2      PRO   8   9.764  -5.416  -0.851
   67    HB3  PRO   8           HB1      PRO   8   9.174  -6.862  -1.696
   68    HG2  PRO   8           HG2      PRO   8   9.683  -4.129  -2.755
   69    HG3  PRO   8           HG1      PRO   8  10.003  -5.706  -3.506
   70    HD2  PRO   8           HD2      PRO   8   7.897  -4.235  -4.252
   71    HD3  PRO   8           HD1      PRO   8   7.778  -6.006  -4.134
   72    H    GLY   9           HN       GLY   9   7.050  -5.701   1.223
   73    HA2  GLY   9           HA2      GLY   9   7.691  -2.898   1.874
   74    HA3  GLY   9           HA1      GLY   9   6.233  -3.669   2.478
   75    H    ASP  10           HN       ASP  10   8.840  -5.788   2.268
   76    HA   ASP  10           HA       ASP  10   9.441  -5.406   5.124
   77    HB2  ASP  10           HB2      ASP  10   9.347  -8.027   3.618
   78    HB3  ASP  10           HB1      ASP  10   9.779  -7.835   5.312
   79    H    ASN  11           HN       ASN  11  10.756  -6.968   2.199
   80    HA   ASN  11           HA       ASN  11  13.454  -6.631   3.240
   81    HB2  ASN  11           HB2      ASN  11  14.197  -8.048   1.480
   82    HB3  ASN  11           HB1      ASN  11  12.689  -8.746   2.055
   83   HD21  ASN  11          HD21      ASN  11  10.898  -8.747   0.704
   84   HD22  ASN  11          HD22      ASN  11  10.996  -8.353  -0.976
   85    H    ALA  12           HN       ALA  12  11.451  -4.597   1.812
   86    HA   ALA  12           HA       ALA  12  12.945  -3.727  -0.458
   87    HB1  ALA  12           HB1      ALA  12  10.494  -3.546  -0.312
   88    HB2  ALA  12           HB2      ALA  12  11.277  -2.009  -0.673
   89    HB3  ALA  12           HB3      ALA  12  10.684  -2.333   0.956
   90    H    THR  13           HN       THR  13  13.913  -1.679  -0.742
   91    HA   THR  13           HA       THR  13  15.557  -0.845   1.435
   92    HB   THR  13           HB       THR  13  16.381   0.860  -0.156
   93    HG1  THR  13           HG1      THR  13  15.495   0.704  -2.341
   94   HG21  THR  13          HG21      THR  13  17.350  -1.365  -0.198
   95   HG22  THR  13          HG22      THR  13  17.272  -0.704  -1.833
   96   HG23  THR  13          HG23      THR  13  16.094  -1.909  -1.309
   97    HA   PRO  14           HA       PRO  14  13.233   2.417   3.317
   98    HB2  PRO  14           HB2      PRO  14  15.119   4.473   3.243
   99    HB3  PRO  14           HB1      PRO  14  15.014   3.232   4.503
  100    HG2  PRO  14           HG2      PRO  14  16.800   3.383   2.145
  101    HG3  PRO  14           HG1      PRO  14  17.131   2.799   3.796
  102    HD2  PRO  14           HD2      PRO  14  16.744   1.074   1.786
  103    HD3  PRO  14           HD1      PRO  14  16.132   0.734   3.415
  104    H    GLU  15           HN       GLU  15  14.975   3.082   0.354
  105    HA   GLU  15           HA       GLU  15  13.598   5.412  -0.426
  106    HB2  GLU  15           HB2      GLU  15  15.748   4.666  -1.387
  107    HB3  GLU  15           HB1      GLU  15  14.929   3.308  -2.142
  108    HG2  GLU  15           HG2      GLU  15  13.621   4.836  -3.513
  109    HG3  GLU  15           HG1      GLU  15  14.380   6.212  -2.717
  110    H    LYS  16           HN       LYS  16  13.108   1.981  -1.183
  111    HA   LYS  16           HA       LYS  16  10.841   2.512  -2.856
  112    HB2  LYS  16           HB2      LYS  16  12.409   0.583  -3.178
  113    HB3  LYS  16           HB1      LYS  16  11.763  -0.122  -1.703
  114    HG2  LYS  16           HG2      LYS  16   9.540  -0.216  -2.730
  115    HG3  LYS  16           HG1      LYS  16  10.210   0.461  -4.215
  116    HD2  LYS  16           HD2      LYS  16  11.740  -1.482  -4.352
  117    HD3  LYS  16           HD1      LYS  16  10.946  -2.169  -2.934
  118    HE2  LYS  16           HE2      LYS  16   9.992  -3.190  -4.863
  119    HE3  LYS  16           HE1      LYS  16   8.795  -2.083  -4.193
  120    HZ1  LYS  16           HZ1      LYS  16  10.546  -1.561  -6.533
  121    HZ2  LYS  16           HZ2      LYS  16   9.452  -0.453  -5.876
  122    HZ3  LYS  16           HZ3      LYS  16   8.887  -1.882  -6.578
  123    H    LEU  17           HN       LEU  17  11.388   1.543   0.471
  124    HA   LEU  17           HA       LEU  17   8.776   0.816   1.143
  125    HB2  LEU  17           HB2      LEU  17  11.016   1.978   2.765
  126    HB3  LEU  17           HB1      LEU  17   9.477   1.563   3.484
  127    HG   LEU  17           HG       LEU  17  11.326  -0.364   2.077
  128   HD11  LEU  17          HD11      LEU  17  11.672  -1.283   4.333
  129   HD12  LEU  17          HD12      LEU  17  10.735   0.054   5.001
  130   HD13  LEU  17          HD13      LEU  17  12.261   0.371   4.177
  131   HD21  LEU  17          HD21      LEU  17   9.812  -2.074   3.041
  132   HD22  LEU  17          HD22      LEU  17   9.039  -1.057   1.827
  133   HD23  LEU  17          HD23      LEU  17   8.723  -0.777   3.539
  134    H    ALA  18           HN       ALA  18  10.282   3.960   0.826
  135    HA   ALA  18           HA       ALA  18   8.287   5.513   2.031
  136    HB1  ALA  18           HB1      ALA  18  10.044   6.234  -0.308
  137    HB2  ALA  18           HB2      ALA  18  10.490   6.381   1.392
  138    HB3  ALA  18           HB3      ALA  18   9.181   7.364   0.736
  139    H    LYS  19           HN       LYS  19   8.624   4.215  -1.216
  140    HA   LYS  19           HA       LYS  19   6.263   5.432  -2.252
  141    HB2  LYS  19           HB2      LYS  19   8.146   4.637  -3.656
  142    HB3  LYS  19           HB1      LYS  19   7.750   2.982  -3.219
  143    HG2  LYS  19           HG2      LYS  19   5.556   3.238  -4.288
  144    HG3  LYS  19           HG1      LYS  19   5.989   4.883  -4.754
  145    HD2  LYS  19           HD2      LYS  19   7.449   2.380  -5.597
  146    HD3  LYS  19           HD1      LYS  19   6.309   3.285  -6.593
  147    HE2  LYS  19           HE2      LYS  19   8.906   4.354  -5.486
  148    HE3  LYS  19           HE1      LYS  19   8.648   3.815  -7.141
  149    HZ1  LYS  19           HZ1      LYS  19   8.486   6.198  -7.004
  150    HZ2  LYS  19           HZ2      LYS  19   7.288   6.098  -5.816
  151    HZ3  LYS  19           HZ3      LYS  19   6.969   5.558  -7.385
  152    H    TYR  20           HN       TYR  20   7.044   2.360  -0.743
  153    HA   TYR  20           HA       TYR  20   4.580   1.062  -1.092
  154    HB2  TYR  20           HB2      TYR  20   6.571  -0.124  -0.331
  155    HB3  TYR  20           HB1      TYR  20   6.601   0.828   1.150
  156    HD1  TYR  20           HD1      TYR  20   4.754  -1.795  -0.683
  157    HD2  TYR  20           HD2      TYR  20   5.260   0.228   3.025
  158    HE1  TYR  20           HE1      TYR  20   3.372  -3.498   0.432
  159    HE2  TYR  20           HE2      TYR  20   3.877  -1.466   4.147
  160    HH   TYR  20           HH       TYR  20   2.134  -3.107   3.569
  161    H    GLN  21           HN       GLN  21   5.761   3.225   1.445
  162    HA   GLN  21           HA       GLN  21   3.503   3.105   3.118
  163    HB2  GLN  21           HB2      GLN  21   5.533   5.306   2.702
  164    HB3  GLN  21           HB1      GLN  21   4.329   5.313   3.981
  165    HG2  GLN  21           HG2      GLN  21   5.286   3.319   4.949
  166    HG3  GLN  21           HG1      GLN  21   6.438   3.197   3.619
  167   HE21  GLN  21          HE21      GLN  21   8.196   3.299   5.016
  168   HE22  GLN  21          HE22      GLN  21   8.671   4.770   5.790
  169    H    ALA  22           HN       ALA  22   4.208   4.989   0.260
  170    HA   ALA  22           HA       ALA  22   2.001   6.766   0.530
  171    HB1  ALA  22           HB1      ALA  22   3.964   7.354  -0.788
  172    HB2  ALA  22           HB2      ALA  22   2.503   7.402  -1.776
  173    HB3  ALA  22           HB3      ALA  22   3.614   6.039  -1.909
  174    H    ASP  23           HN       ASP  23   2.565   3.771  -1.275
  175    HA   ASP  23           HA       ASP  23  -0.008   3.766  -2.514
  176    HB2  ASP  23           HB2      ASP  23   1.974   2.526  -3.415
  177    HB3  ASP  23           HB1      ASP  23   1.834   1.402  -2.060
  178    H    LEU  24           HN       LEU  24   1.352   2.328   0.389
  179    HA   LEU  24           HA       LEU  24  -0.909   0.834   1.182
  180    HB2  LEU  24           HB2      LEU  24   1.403   0.602   2.117
  181    HB3  LEU  24           HB1      LEU  24   1.194   2.140   2.923
  182    HG   LEU  24           HG       LEU  24   0.916  -0.007   4.297
  183   HD11  LEU  24          HD11      LEU  24  -0.883   0.996   5.647
  184   HD12  LEU  24          HD12      LEU  24  -1.192   2.139   4.339
  185   HD13  LEU  24          HD13      LEU  24   0.358   2.158   5.179
  186   HD21  LEU  24          HD21      LEU  24  -1.772   0.041   2.936
  187   HD22  LEU  24          HD22      LEU  24  -1.311  -0.990   4.288
  188   HD23  LEU  24          HD23      LEU  24  -0.530  -1.190   2.720
  189    H    ALA  25           HN       ALA  25   0.050   4.191   1.688
  190    HA   ALA  25           HA       ALA  25  -2.021   4.968   3.405
  191    HB1  ALA  25           HB1      ALA  25  -0.665   6.629   1.290
  192    HB2  ALA  25           HB2      ALA  25  -0.033   6.328   2.908
  193    HB3  ALA  25           HB3      ALA  25  -1.535   7.229   2.704
  194    H    LYS  26           HN       LYS  26  -1.824   4.904  -0.123
  195    HA   LYS  26           HA       LYS  26  -4.380   5.964  -0.652
  196    HB2  LYS  26           HB2      LYS  26  -2.565   5.734  -2.340
  197    HB3  LYS  26           HB1      LYS  26  -2.791   3.995  -2.312
  198    HG2  LYS  26           HG2      LYS  26  -3.906   4.847  -4.231
  199    HG3  LYS  26           HG1      LYS  26  -5.135   4.345  -3.072
  200    HD2  LYS  26           HD2      LYS  26  -5.808   6.440  -4.007
  201    HD3  LYS  26           HD1      LYS  26  -5.310   6.728  -2.341
  202    HE2  LYS  26           HE2      LYS  26  -4.458   8.465  -3.827
  203    HE3  LYS  26           HE1      LYS  26  -3.141   7.532  -3.121
  204    HZ1  LYS  26           HZ1      LYS  26  -2.827   7.961  -5.494
  205    HZ2  LYS  26           HZ2      LYS  26  -4.248   7.113  -5.845
  206    HZ3  LYS  26           HZ3      LYS  26  -2.925   6.305  -5.167
  207    H    TYR  27           HN       TYR  27  -3.214   2.704  -0.085
  208    HA   TYR  27           HA       TYR  27  -5.593   1.296  -0.574
  209    HB2  TYR  27           HB2      TYR  27  -3.514   0.099  -0.378
  210    HB3  TYR  27           HB1      TYR  27  -3.249   0.718   1.243
  211    HD1  TYR  27           HD1      TYR  27  -5.229  -1.651  -0.775
  212    HD2  TYR  27           HD2      TYR  27  -4.257  -0.334   3.152
  213    HE1  TYR  27           HE1      TYR  27  -6.289  -3.658   0.159
  214    HE2  TYR  27           HE2      TYR  27  -5.317  -2.337   4.093
  215    HH   TYR  27           HH       TYR  27  -7.039  -3.999   3.437
  216    H    GLN  28           HN       GLN  28  -4.348   2.876   2.327
  217    HA   GLN  28           HA       GLN  28  -6.307   1.989   4.130
  218    HB2  GLN  28           HB2      GLN  28  -4.703   4.552   4.116
  219    HB3  GLN  28           HB1      GLN  28  -5.692   4.014   5.467
  220    HG2  GLN  28           HG2      GLN  28  -4.295   2.029   5.719
  221    HG3  GLN  28           HG1      GLN  28  -3.320   2.531   4.337
  222   HE21  GLN  28          HE21      GLN  28  -3.479   5.353   5.098
  223   HE22  GLN  28          HE22      GLN  28  -2.392   5.542   6.422
  224    H    LYS  29           HN       LYS  29  -6.193   4.796   1.995
  225    HA   LYS  29           HA       LYS  29  -8.585   5.984   2.875
  226    HB2  LYS  29           HB2      LYS  29  -6.963   7.220   1.551
  227    HB3  LYS  29           HB1      LYS  29  -7.215   6.141   0.185
  228    HG2  LYS  29           HG2      LYS  29  -9.463   6.941  -0.100
  229    HG3  LYS  29           HG1      LYS  29  -9.343   7.913   1.367
  230    HD2  LYS  29           HD2      LYS  29  -7.563   8.291  -1.035
  231    HD3  LYS  29           HD1      LYS  29  -9.063   9.183  -0.782
  232    HE2  LYS  29           HE2      LYS  29  -6.709   9.166   1.104
  233    HE3  LYS  29           HE1      LYS  29  -7.074  10.442  -0.053
  234    HZ1  LYS  29           HZ1      LYS  29  -9.192  10.790   1.088
  235    HZ2  LYS  29           HZ2      LYS  29  -7.876  11.036   2.121
  236    HZ3  LYS  29           HZ3      LYS  29  -8.780   9.612   2.231
  237    H    ASP  30           HN       ASP  30  -7.938   3.779   0.152
  238    HA   ASP  30           HA       ASP  30 -10.640   3.551  -0.643
  239    HB2  ASP  30           HB2      ASP  30  -8.264   1.749  -1.092
  240    HB3  ASP  30           HB1      ASP  30  -9.867   1.387  -1.735
  241    H    LEU  31           HN       LEU  31  -8.707   1.900   1.724
  242    HA   LEU  31           HA       LEU  31 -10.430  -0.249   2.311
  243    HB2  LEU  31           HB2      LEU  31  -8.047  -0.013   3.039
  244    HB3  LEU  31           HB1      LEU  31  -8.561   1.205   4.190
  245    HG   LEU  31           HG       LEU  31  -9.990  -0.530   5.286
  246   HD11  LEU  31          HD11      LEU  31 -10.235  -2.089   3.457
  247   HD12  LEU  31          HD12      LEU  31  -9.445  -2.886   4.815
  248   HD13  LEU  31          HD13      LEU  31  -8.495  -2.370   3.423
  249   HD21  LEU  31          HD21      LEU  31  -8.109  -1.608   6.413
  250   HD22  LEU  31          HD22      LEU  31  -7.816   0.113   6.163
  251   HD23  LEU  31          HD23      LEU  31  -7.031  -1.074   5.121
  252    H    ALA  32           HN       ALA  32 -10.101   2.958   3.787
  253    HA   ALA  32           HA       ALA  32 -12.225   2.727   5.610
  254    HB1  ALA  32           HB1      ALA  32 -10.504   4.475   5.723
  255    HB2  ALA  32           HB2      ALA  32 -12.134   5.146   5.750
  256    HB3  ALA  32           HB3      ALA  32 -11.178   5.213   4.270
  257    H    ASP  33           HN       ASP  33 -12.048   3.941   2.315
  258    HA   ASP  33           HA       ASP  33 -14.699   4.804   2.051
  259    HB2  ASP  33           HB2      ASP  33 -12.922   5.414   0.472
  260    HB3  ASP  33           HB1      ASP  33 -12.807   3.740  -0.058
  261    H    TYR  34           HN       TYR  34 -13.205   1.674   1.623
  262    HA   TYR  34           HA       TYR  34 -15.373   0.337   0.407
  263    HB2  TYR  34           HB2      TYR  34 -13.034  -0.484   0.429
  264    HB3  TYR  34           HB1      TYR  34 -13.177  -0.794   2.154
  265    HD1  TYR  34           HD1      TYR  34 -14.774  -1.704  -1.097
  266    HD2  TYR  34           HD2      TYR  34 -13.819  -2.893   2.870
  267    HE1  TYR  34           HE1      TYR  34 -15.630  -3.955  -1.572
  268    HE2  TYR  34           HE2      TYR  34 -14.672  -5.146   2.410
  269    HH   TYR  34           HH       TYR  34 -15.374  -6.245  -0.730
  270    HN1  NH2  35           HN1      NH2  35 -14.401   0.725   3.771
  271    HN2  NH2  35           HN2      NH2  35 -15.871   0.139   4.465
  Start of MODEL   13
    1    H1   ACE   0           HA1      ACE   0 -15.268  -2.876  -2.634
    2    H2   ACE   0           HA2      ACE   0 -14.778  -2.207  -4.188
    3    H3   ACE   0           HA3      ACE   0 -13.666  -2.104  -2.824
    4    HA   PRO   1           HA       PRO   1 -12.860  -3.815  -1.015
    5    HB2  PRO   1           HB2      PRO   1 -11.546  -6.248  -0.638
    6    HB3  PRO   1           HB1      PRO   1 -13.092  -5.798   0.104
    7    HG2  PRO   1           HG2      PRO   1 -12.568  -7.460  -2.299
    8    HG3  PRO   1           HG1      PRO   1 -13.794  -7.658  -1.030
    9    HD2  PRO   1           HD2      PRO   1 -14.449  -6.666  -3.432
   10    HD3  PRO   1           HD1      PRO   1 -15.194  -6.040  -1.945
   11    HA   PRO   2           HA       PRO   2  -9.179  -2.736  -3.256
   12    HB2  PRO   2           HB2      PRO   2  -7.712  -1.854  -1.099
   13    HB3  PRO   2           HB1      PRO   2  -8.958  -0.888  -1.917
   14    HG2  PRO   2           HG2      PRO   2  -9.139  -2.455   0.603
   15    HG3  PRO   2           HG1      PRO   2  -9.820  -0.864   0.206
   16    HD2  PRO   2           HD2      PRO   2 -11.334  -3.096   0.200
   17    HD3  PRO   2           HD1      PRO   2 -11.613  -1.766  -0.941
   18    H    THR   3           HN       THR   3  -7.251  -3.663  -3.743
   19    HA   THR   3           HA       THR   3  -6.553  -6.095  -2.322
   20    HB   THR   3           HB       THR   3  -5.462  -4.916  -4.880
   21    HG1  THR   3           HG1      THR   3  -7.669  -6.401  -4.276
   22   HG21  THR   3          HG21      THR   3  -3.810  -6.347  -3.799
   23   HG22  THR   3          HG22      THR   3  -4.462  -7.134  -5.235
   24   HG23  THR   3          HG23      THR   3  -5.009  -7.628  -3.634
   25    H    LYS   4           HN       LYS   4  -4.765  -6.375  -1.135
   26    HA   LYS   4           HA       LYS   4  -3.440  -4.248   0.069
   27    HB2  LYS   4           HB2      LYS   4  -2.502  -7.096  -0.308
   28    HB3  LYS   4           HB1      LYS   4  -1.807  -5.952   0.836
   29    HG2  LYS   4           HG2      LYS   4  -3.874  -5.873   2.071
   30    HG3  LYS   4           HG1      LYS   4  -4.663  -6.904   0.878
   31    HD2  LYS   4           HD2      LYS   4  -2.293  -7.702   2.567
   32    HD3  LYS   4           HD1      LYS   4  -3.969  -8.128   2.914
   33    HE2  LYS   4           HE2      LYS   4  -4.123  -9.390   0.866
   34    HE3  LYS   4           HE1      LYS   4  -2.511  -8.871   0.380
   35    HZ1  LYS   4           HZ1      LYS   4  -2.494 -11.107   1.279
   36    HZ2  LYS   4           HZ2      LYS   4  -3.140 -10.559   2.740
   37    HZ3  LYS   4           HZ3      LYS   4  -1.596 -10.067   2.260
   38    HA   PRO   5           HA       PRO   5  -0.447  -2.714  -2.806
   39    HB2  PRO   5           HB2      PRO   5   1.747  -2.600  -1.060
   40    HB3  PRO   5           HB1      PRO   5   0.555  -1.311  -1.325
   41    HG2  PRO   5           HG2      PRO   5   0.712  -3.323   0.852
   42    HG3  PRO   5           HG1      PRO   5   0.176  -1.628   0.899
   43    HD2  PRO   5           HD2      PRO   5  -1.600  -3.627   0.961
   44    HD3  PRO   5           HD1      PRO   5  -1.934  -2.126   0.061
   45    H    THR   6           HN       THR   6   0.511  -3.839  -4.314
   46    HA   THR   6           HA       THR   6   1.639  -6.439  -3.842
   47    HB   THR   6           HB       THR   6   1.755  -4.825  -6.386
   48    HG1  THR   6           HG1      THR   6  -0.350  -6.367  -5.261
   49   HG21  THR   6          HG21      THR   6   3.134  -6.843  -6.356
   50   HG22  THR   6          HG22      THR   6   1.770  -7.031  -7.459
   51   HG23  THR   6          HG23      THR   6   1.734  -7.800  -5.871
   52    H    LYS   7           HN       LYS   7   2.745  -3.226  -3.900
   53    HA   LYS   7           HA       LYS   7   5.417  -3.567  -4.711
   54    HB2  LYS   7           HB2      LYS   7   4.213  -1.532  -2.825
   55    HB3  LYS   7           HB1      LYS   7   5.826  -1.426  -3.511
   56    HG2  LYS   7           HG2      LYS   7   4.917  -1.218  -5.737
   57    HG3  LYS   7           HG1      LYS   7   3.280  -1.472  -5.123
   58    HD2  LYS   7           HD2      LYS   7   3.448   0.590  -3.811
   59    HD3  LYS   7           HD1      LYS   7   5.094   0.836  -4.398
   60    HE2  LYS   7           HE2      LYS   7   3.506   2.221  -5.628
   61    HE3  LYS   7           HE1      LYS   7   4.255   1.029  -6.686
   62    HZ1  LYS   7           HZ1      LYS   7   1.911   1.160  -7.123
   63    HZ2  LYS   7           HZ2      LYS   7   1.532   0.867  -5.499
   64    HZ3  LYS   7           HZ3      LYS   7   2.255  -0.346  -6.436
   65    HA   PRO   8           HA       PRO   8   7.301  -5.630  -1.278
   66    HB2  PRO   8           HB2      PRO   8   9.795  -4.503  -1.377
   67    HB3  PRO   8           HB1      PRO   8   9.248  -5.760  -2.499
   68    HG2  PRO   8           HG2      PRO   8   9.390  -2.817  -2.889
   69    HG3  PRO   8           HG1      PRO   8   9.813  -4.124  -4.012
   70    HD2  PRO   8           HD2      PRO   8   7.480  -2.779  -4.210
   71    HD3  PRO   8           HD1      PRO   8   7.610  -4.508  -4.610
   72    H    GLY   9           HN       GLY   9   7.299  -5.291   0.865
   73    HA2  GLY   9           HA2      GLY   9   7.889  -2.611   1.885
   74    HA3  GLY   9           HA1      GLY   9   6.314  -3.297   2.236
   75    H    ASP  10           HN       ASP  10   9.075  -5.374   2.069
   76    HA   ASP  10           HA       ASP  10   9.023  -5.588   5.006
   77    HB2  ASP  10           HB2      ASP  10   9.706  -7.767   3.024
   78    HB3  ASP  10           HB1      ASP  10   9.669  -7.936   4.775
   79    H    ASN  11           HN       ASN  11  11.226  -6.845   2.555
   80    HA   ASN  11           HA       ASN  11  13.470  -5.798   4.120
   81    HB2  ASN  11           HB2      ASN  11  14.836  -7.394   2.760
   82    HB3  ASN  11           HB1      ASN  11  13.594  -8.170   3.734
   83   HD21  ASN  11          HD21      ASN  11  11.887  -9.190   2.731
   84   HD22  ASN  11          HD22      ASN  11  11.839  -9.484   1.027
   85    H    ALA  12           HN       ALA  12  11.745  -4.382   2.074
   86    HA   ALA  12           HA       ALA  12  13.387  -3.869  -0.192
   87    HB1  ALA  12           HB1      ALA  12  10.863  -3.671  -0.031
   88    HB2  ALA  12           HB2      ALA  12  11.712  -2.384  -0.881
   89    HB3  ALA  12           HB3      ALA  12  11.143  -2.124   0.770
   90    H    THR  13           HN       THR  13  14.218  -1.763  -0.765
   91    HA   THR  13           HA       THR  13  15.869  -0.616   1.220
   92    HB   THR  13           HB       THR  13  16.325   1.112  -0.553
   93    HG1  THR  13           HG1      THR  13  15.325   0.908  -2.527
   94   HG21  THR  13          HG21      THR  13  16.495  -1.781  -1.385
   95   HG22  THR  13          HG22      THR  13  17.661  -0.918  -0.380
   96   HG23  THR  13          HG23      THR  13  17.443  -0.458  -2.070
   97    HA   PRO  14           HA       PRO  14  13.391   2.393   3.231
   98    HB2  PRO  14           HB2      PRO  14  15.021   4.650   3.008
   99    HB3  PRO  14           HB1      PRO  14  15.149   3.415   4.271
  100    HG2  PRO  14           HG2      PRO  14  16.730   3.752   1.792
  101    HG3  PRO  14           HG1      PRO  14  17.238   3.200   3.407
  102    HD2  PRO  14           HD2      PRO  14  16.887   1.454   1.403
  103    HD3  PRO  14           HD1      PRO  14  16.453   1.041   3.072
  104    H    GLU  15           HN       GLU  15  14.861   3.467   0.191
  105    HA   GLU  15           HA       GLU  15  13.029   5.556  -0.316
  106    HB2  GLU  15           HB2      GLU  15  15.191   5.403  -1.453
  107    HB3  GLU  15           HB1      GLU  15  14.676   3.920  -2.249
  108    HG2  GLU  15           HG2      GLU  15  12.896   5.175  -3.398
  109    HG3  GLU  15           HG1      GLU  15  13.471   6.651  -2.626
  110    H    LYS  16           HN       LYS  16  13.085   2.142  -1.095
  111    HA   LYS  16           HA       LYS  16  10.780   2.204  -2.776
  112    HB2  LYS  16           HB2      LYS  16  12.632   0.458  -2.799
  113    HB3  LYS  16           HB1      LYS  16  11.914  -0.189  -1.328
  114    HG2  LYS  16           HG2      LYS  16  11.124  -1.500  -3.132
  115    HG3  LYS  16           HG1      LYS  16   9.780  -0.479  -2.616
  116    HD2  LYS  16           HD2      LYS  16  10.208   1.056  -4.445
  117    HD3  LYS  16           HD1      LYS  16  11.620   0.117  -4.932
  118    HE2  LYS  16           HE2      LYS  16  10.075  -1.833  -5.268
  119    HE3  LYS  16           HE1      LYS  16   8.730  -0.722  -5.016
  120    HZ1  LYS  16           HZ1      LYS  16   9.147  -0.973  -7.351
  121    HZ2  LYS  16           HZ2      LYS  16  10.773  -0.560  -7.159
  122    HZ3  LYS  16           HZ3      LYS  16   9.573   0.600  -6.894
  123    H    LEU  17           HN       LEU  17  11.425   1.496   0.615
  124    HA   LEU  17           HA       LEU  17   8.868   0.640   1.344
  125    HB2  LEU  17           HB2      LEU  17  11.006   2.045   2.914
  126    HB3  LEU  17           HB1      LEU  17   9.521   1.477   3.640
  127    HG   LEU  17           HG       LEU  17  11.654  -0.217   2.342
  128   HD11  LEU  17          HD11      LEU  17  12.212   0.644   4.566
  129   HD12  LEU  17          HD12      LEU  17  11.969  -1.102   4.581
  130   HD13  LEU  17          HD13      LEU  17  10.711  -0.030   5.199
  131   HD21  LEU  17          HD21      LEU  17   8.984  -0.969   3.517
  132   HD22  LEU  17          HD22      LEU  17  10.273  -2.117   3.156
  133   HD23  LEU  17          HD23      LEU  17   9.522  -1.198   1.852
  134    H    ALA  18           HN       ALA  18  10.249   3.875   1.101
  135    HA   ALA  18           HA       ALA  18   8.125   5.319   2.191
  136    HB1  ALA  18           HB1      ALA  18   9.003   7.221   0.964
  137    HB2  ALA  18           HB2      ALA  18   9.970   6.139  -0.039
  138    HB3  ALA  18           HB3      ALA  18  10.312   6.286   1.685
  139    H    LYS  19           HN       LYS  19   8.729   4.260  -1.126
  140    HA   LYS  19           HA       LYS  19   6.381   5.414  -2.218
  141    HB2  LYS  19           HB2      LYS  19   8.387   4.708  -3.534
  142    HB3  LYS  19           HB1      LYS  19   7.939   3.034  -3.243
  143    HG2  LYS  19           HG2      LYS  19   5.866   3.351  -4.460
  144    HG3  LYS  19           HG1      LYS  19   6.250   5.056  -4.700
  145    HD2  LYS  19           HD2      LYS  19   8.237   4.428  -5.979
  146    HD3  LYS  19           HD1      LYS  19   7.858   2.723  -5.735
  147    HE2  LYS  19           HE2      LYS  19   7.124   3.405  -7.928
  148    HE3  LYS  19           HE1      LYS  19   5.722   3.059  -6.918
  149    HZ1  LYS  19           HZ1      LYS  19   6.797   5.753  -7.554
  150    HZ2  LYS  19           HZ2      LYS  19   5.476   5.447  -6.543
  151    HZ3  LYS  19           HZ3      LYS  19   5.388   5.066  -8.187
  152    H    TYR  20           HN       TYR  20   7.157   2.305  -0.803
  153    HA   TYR  20           HA       TYR  20   4.719   0.992  -1.280
  154    HB2  TYR  20           HB2      TYR  20   6.628  -0.261  -0.522
  155    HB3  TYR  20           HB1      TYR  20   6.756   0.716   0.937
  156    HD1  TYR  20           HD1      TYR  20   4.613  -1.771  -0.792
  157    HD2  TYR  20           HD2      TYR  20   5.602   0.099   2.901
  158    HE1  TYR  20           HE1      TYR  20   3.220  -3.404   0.398
  159    HE2  TYR  20           HE2      TYR  20   4.209  -1.537   4.102
  160    HH   TYR  20           HH       TYR  20   2.323  -3.024   3.656
  161    H    GLN  21           HN       GLN  21   5.799   3.068   1.383
  162    HA   GLN  21           HA       GLN  21   3.487   2.830   2.966
  163    HB2  GLN  21           HB2      GLN  21   5.467   5.102   2.764
  164    HB3  GLN  21           HB1      GLN  21   4.234   4.966   4.009
  165    HG2  GLN  21           HG2      GLN  21   6.516   3.063   3.536
  166    HG3  GLN  21           HG1      GLN  21   6.379   4.231   4.847
  167   HE21  GLN  21          HE21      GLN  21   6.707   1.350   4.979
  168   HE22  GLN  21          HE22      GLN  21   5.353   0.739   5.862
  169    H    ALA  22           HN       ALA  22   4.274   4.890   0.253
  170    HA   ALA  22           HA       ALA  22   2.044   6.621   0.483
  171    HB1  ALA  22           HB1      ALA  22   2.573   7.269  -1.813
  172    HB2  ALA  22           HB2      ALA  22   3.672   5.895  -1.950
  173    HB3  ALA  22           HB3      ALA  22   4.030   7.201  -0.819
  174    H    ASP  23           HN       ASP  23   2.593   3.538  -1.092
  175    HA   ASP  23           HA       ASP  23   0.043   3.508  -2.423
  176    HB2  ASP  23           HB2      ASP  23   2.125   2.262  -3.189
  177    HB3  ASP  23           HB1      ASP  23   1.831   1.130  -1.868
  178    H    LEU  24           HN       LEU  24   1.413   2.200   0.533
  179    HA   LEU  24           HA       LEU  24  -0.846   0.753   1.412
  180    HB2  LEU  24           HB2      LEU  24   1.469   0.557   2.344
  181    HB3  LEU  24           HB1      LEU  24   1.277   2.138   3.065
  182    HG   LEU  24           HG       LEU  24   1.005   0.075   4.561
  183   HD11  LEU  24          HD11      LEU  24  -0.741   1.155   5.890
  184   HD12  LEU  24          HD12      LEU  24  -1.126   2.197   4.520
  185   HD13  LEU  24          HD13      LEU  24   0.454   2.309   5.296
  186   HD21  LEU  24          HD21      LEU  24  -1.671   0.040   3.180
  187   HD22  LEU  24          HD22      LEU  24  -1.263  -0.859   4.639
  188   HD23  LEU  24          HD23      LEU  24  -0.446  -1.225   3.121
  189    H    ALA  25           HN       ALA  25   0.122   4.134   1.753
  190    HA   ALA  25           HA       ALA  25  -1.967   5.016   3.397
  191    HB1  ALA  25           HB1      ALA  25  -0.591   6.529   1.184
  192    HB2  ALA  25           HB2      ALA  25   0.001   6.372   2.837
  193    HB3  ALA  25           HB3      ALA  25  -1.505   7.233   2.519
  194    H    LYS  26           HN       LYS  26  -1.737   4.644  -0.095
  195    HA   LYS  26           HA       LYS  26  -4.289   5.597  -0.775
  196    HB2  LYS  26           HB2      LYS  26  -2.491   5.165  -2.420
  197    HB3  LYS  26           HB1      LYS  26  -2.665   3.441  -2.138
  198    HG2  LYS  26           HG2      LYS  26  -5.125   3.807  -2.835
  199    HG3  LYS  26           HG1      LYS  26  -4.531   5.321  -3.521
  200    HD2  LYS  26           HD2      LYS  26  -4.502   3.674  -5.251
  201    HD3  LYS  26           HD1      LYS  26  -2.831   3.989  -4.780
  202    HE2  LYS  26           HE2      LYS  26  -3.147   1.617  -5.042
  203    HE3  LYS  26           HE1      LYS  26  -2.901   1.978  -3.338
  204    HZ1  LYS  26           HZ1      LYS  26  -4.674   0.445  -3.484
  205    HZ2  LYS  26           HZ2      LYS  26  -5.448   1.324  -4.699
  206    HZ3  LYS  26           HZ3      LYS  26  -5.393   1.938  -3.125
  207    H    TYR  27           HN       TYR  27  -3.120   2.347   0.032
  208    HA   TYR  27           HA       TYR  27  -5.519   0.960  -0.337
  209    HB2  TYR  27           HB2      TYR  27  -3.447  -0.257  -0.057
  210    HB3  TYR  27           HB1      TYR  27  -3.222   0.414   1.551
  211    HD1  TYR  27           HD1      TYR  27  -5.268  -1.924  -0.454
  212    HD2  TYR  27           HD2      TYR  27  -4.256  -0.583   3.458
  213    HE1  TYR  27           HE1      TYR  27  -6.431  -3.861   0.505
  214    HE2  TYR  27           HE2      TYR  27  -5.420  -2.520   4.425
  215    HH   TYR  27           HH       TYR  27  -6.536  -5.158   2.477
  216    H    GLN  28           HN       GLN  28  -4.261   2.658   2.502
  217    HA   GLN  28           HA       GLN  28  -6.334   1.996   4.276
  218    HB2  GLN  28           HB2      GLN  28  -4.634   4.499   4.147
  219    HB3  GLN  28           HB1      GLN  28  -5.695   4.090   5.488
  220    HG2  GLN  28           HG2      GLN  28  -4.362   2.012   5.832
  221    HG3  GLN  28           HG1      GLN  28  -3.251   2.575   4.583
  222   HE21  GLN  28          HE21      GLN  28  -1.918   4.334   5.012
  223   HE22  GLN  28          HE22      GLN  28  -1.646   4.919   6.611
  224    H    LYS  29           HN       LYS  29  -5.992   4.571   1.910
  225    HA   LYS  29           HA       LYS  29  -8.361   5.968   2.509
  226    HB2  LYS  29           HB2      LYS  29  -6.549   6.928   1.175
  227    HB3  LYS  29           HB1      LYS  29  -6.839   5.746  -0.095
  228    HG2  LYS  29           HG2      LYS  29  -9.039   6.697  -0.493
  229    HG3  LYS  29           HG1      LYS  29  -8.779   7.867   0.800
  230    HD2  LYS  29           HD2      LYS  29  -7.082   7.630  -1.684
  231    HD3  LYS  29           HD1      LYS  29  -8.375   8.808  -1.453
  232    HE2  LYS  29           HE2      LYS  29  -7.176   9.708   0.497
  233    HE3  LYS  29           HE1      LYS  29  -5.871   8.560   0.209
  234    HZ1  LYS  29           HZ1      LYS  29  -6.747  10.679  -1.674
  235    HZ2  LYS  29           HZ2      LYS  29  -5.476   9.593  -1.930
  236    HZ3  LYS  29           HZ3      LYS  29  -5.370  10.741  -0.694
  237    H    ASP  30           HN       ASP  30  -7.652   3.472   0.082
  238    HA   ASP  30           HA       ASP  30 -10.265   3.254  -0.944
  239    HB2  ASP  30           HB2      ASP  30  -8.047   1.197  -0.821
  240    HB3  ASP  30           HB1      ASP  30  -9.534   1.008  -1.748
  241    H    LEU  31           HN       LEU  31  -8.637   1.719   1.739
  242    HA   LEU  31           HA       LEU  31 -10.597  -0.190   2.403
  243    HB2  LEU  31           HB2      LEU  31  -8.248  -0.150   3.242
  244    HB3  LEU  31           HB1      LEU  31  -8.655   1.238   4.229
  245    HG   LEU  31           HG       LEU  31 -10.253  -0.144   5.499
  246   HD11  LEU  31          HD11      LEU  31 -10.147  -2.596   5.245
  247   HD12  LEU  31          HD12      LEU  31  -9.183  -2.380   3.784
  248   HD13  LEU  31          HD13      LEU  31 -10.845  -1.791   3.841
  249   HD21  LEU  31          HD21      LEU  31  -7.987   0.158   6.300
  250   HD22  LEU  31          HD22      LEU  31  -7.441  -1.214   5.334
  251   HD23  LEU  31          HD23      LEU  31  -8.556  -1.467   6.678
  252    H    ALA  32           HN       ALA  32 -10.078   3.139   3.480
  253    HA   ALA  32           HA       ALA  32 -12.192   3.257   5.328
  254    HB1  ALA  32           HB1      ALA  32 -10.372   4.889   5.247
  255    HB2  ALA  32           HB2      ALA  32 -11.952   5.669   5.170
  256    HB3  ALA  32           HB3      ALA  32 -10.986   5.485   3.706
  257    H    ASP  33           HN       ASP  33 -11.997   4.015   1.889
  258    HA   ASP  33           HA       ASP  33 -14.616   4.935   1.522
  259    HB2  ASP  33           HB2      ASP  33 -13.149   5.278  -0.294
  260    HB3  ASP  33           HB1      ASP  33 -12.657   3.590  -0.327
  261    H    TYR  34           HN       TYR  34 -13.280   1.681   1.500
  262    HA   TYR  34           HA       TYR  34 -15.588   0.322   0.645
  263    HB2  TYR  34           HB2      TYR  34 -13.314  -0.670   0.719
  264    HB3  TYR  34           HB1      TYR  34 -13.400  -0.682   2.478
  265    HD1  TYR  34           HD1      TYR  34 -14.746  -2.178  -0.601
  266    HD2  TYR  34           HD2      TYR  34 -14.667  -2.332   3.644
  267    HE1  TYR  34           HE1      TYR  34 -15.797  -4.393  -0.665
  268    HE2  TYR  34           HE2      TYR  34 -15.724  -4.544   3.591
  269    HH   TYR  34           HH       TYR  34 -17.150  -5.873   2.038
  270    HN1  NH2  35           HN1      NH2  35 -14.304   0.773   3.921
  271    HN2  NH2  35           HN2      NH2  35 -15.818   0.597   4.735
  Start of MODEL   14
    1    H1   ACE   0           HA1      ACE   0 -13.556  -0.992  -3.490
    2    H2   ACE   0           HA2      ACE   0 -15.114  -1.792  -3.293
    3    H3   ACE   0           HA3      ACE   0 -14.828  -0.821  -4.736
    4    HA   PRO   1           HA       PRO   1 -12.768  -3.166  -2.128
    5    HB2  PRO   1           HB2      PRO   1 -11.528  -5.659  -2.448
    6    HB3  PRO   1           HB1      PRO   1 -13.001  -5.354  -1.510
    7    HG2  PRO   1           HG2      PRO   1 -12.706  -6.413  -4.263
    8    HG3  PRO   1           HG1      PRO   1 -13.883  -6.837  -3.004
    9    HD2  PRO   1           HD2      PRO   1 -14.574  -5.279  -5.076
   10    HD3  PRO   1           HD1      PRO   1 -15.222  -4.989  -3.448
   11    HA   PRO   2           HA       PRO   2  -9.171  -1.677  -4.307
   12    HB2  PRO   2           HB2      PRO   2  -7.692  -1.048  -2.082
   13    HB3  PRO   2           HB1      PRO   2  -8.993  -0.023  -2.723
   14    HG2  PRO   2           HG2      PRO   2  -9.046  -1.940  -0.449
   15    HG3  PRO   2           HG1      PRO   2  -9.786  -0.333  -0.591
   16    HD2  PRO   2           HD2      PRO   2 -11.220  -2.605  -0.885
   17    HD3  PRO   2           HD1      PRO   2 -11.594  -1.123  -1.788
   18    H    THR   3           HN       THR   3  -7.069  -2.343  -4.764
   19    HA   THR   3           HA       THR   3  -6.476  -5.069  -3.961
   20    HB   THR   3           HB       THR   3  -5.037  -3.311  -5.950
   21    HG1  THR   3           HG1      THR   3  -7.291  -3.781  -6.453
   22   HG21  THR   3          HG21      THR   3  -3.694  -5.188  -5.142
   23   HG22  THR   3          HG22      THR   3  -4.167  -5.427  -6.825
   24   HG23  THR   3          HG23      THR   3  -5.003  -6.301  -5.541
   25    H    LYS   4           HN       LYS   4  -4.928  -5.642  -2.577
   26    HA   LYS   4           HA       LYS   4  -3.442  -3.683  -1.133
   27    HB2  LYS   4           HB2      LYS   4  -3.166  -6.697  -1.222
   28    HB3  LYS   4           HB1      LYS   4  -2.330  -5.648  -0.079
   29    HG2  LYS   4           HG2      LYS   4  -4.580  -4.879   0.705
   30    HG3  LYS   4           HG1      LYS   4  -5.285  -6.146  -0.297
   31    HD2  LYS   4           HD2      LYS   4  -3.267  -6.603   1.894
   32    HD3  LYS   4           HD1      LYS   4  -5.009  -6.784   2.086
   33    HE2  LYS   4           HE2      LYS   4  -5.013  -8.530   0.367
   34    HE3  LYS   4           HE1      LYS   4  -3.268  -8.351   0.184
   35    HZ1  LYS   4           HZ1      LYS   4  -4.634  -9.158   2.697
   36    HZ2  LYS   4           HZ2      LYS   4  -2.965  -9.076   2.445
   37    HZ3  LYS   4           HZ3      LYS   4  -3.884 -10.225   1.620
   38    HA   PRO   5           HA       PRO   5  -0.246  -3.077  -4.138
   39    HB2  PRO   5           HB2      PRO   5   1.726  -2.304  -2.321
   40    HB3  PRO   5           HB1      PRO   5   0.541  -1.222  -3.081
   41    HG2  PRO   5           HG2      PRO   5   0.525  -2.440  -0.374
   42    HG3  PRO   5           HG1      PRO   5  -0.047  -0.843  -0.913
   43    HD2  PRO   5           HD2      PRO   5  -1.759  -2.850  -0.371
   44    HD3  PRO   5           HD1      PRO   5  -2.072  -1.670  -1.671
   45    H    THR   6           HN       THR   6   1.042  -4.502  -5.062
   46    HA   THR   6           HA       THR   6   1.937  -6.858  -3.715
   47    HB   THR   6           HB       THR   6   2.884  -5.901  -6.407
   48    HG1  THR   6           HG1      THR   6   0.413  -7.139  -5.712
   49   HG21  THR   6          HG21      THR   6   2.401  -8.645  -5.246
   50   HG22  THR   6          HG22      THR   6   3.971  -7.899  -5.551
   51   HG23  THR   6          HG23      THR   6   2.915  -8.318  -6.901
   52    H    LYS   7           HN       LYS   7   3.091  -3.736  -3.997
   53    HA   LYS   7           HA       LYS   7   5.852  -3.956  -4.121
   54    HB2  LYS   7           HB2      LYS   7   4.200  -2.009  -2.509
   55    HB3  LYS   7           HB1      LYS   7   5.887  -1.790  -2.944
   56    HG2  LYS   7           HG2      LYS   7   5.312  -1.630  -5.274
   57    HG3  LYS   7           HG1      LYS   7   3.625  -2.020  -4.920
   58    HD2  LYS   7           HD2      LYS   7   3.494   0.038  -3.532
   59    HD3  LYS   7           HD1      LYS   7   5.139   0.440  -4.028
   60    HE2  LYS   7           HE2      LYS   7   3.542   1.662  -5.376
   61    HE3  LYS   7           HE1      LYS   7   4.401   0.490  -6.373
   62    HZ1  LYS   7           HZ1      LYS   7   1.654   0.181  -5.267
   63    HZ2  LYS   7           HZ2      LYS   7   2.479  -0.997  -6.164
   64    HZ3  LYS   7           HZ3      LYS   7   2.060   0.471  -6.888
   65    HA   PRO   8           HA       PRO   8   6.982  -6.085  -0.418
   66    HB2  PRO   8           HB2      PRO   8   9.487  -5.016  -0.062
   67    HB3  PRO   8           HB1      PRO   8   9.112  -6.287  -1.241
   68    HG2  PRO   8           HG2      PRO   8   9.427  -3.363  -1.659
   69    HG3  PRO   8           HG1      PRO   8   9.980  -4.713  -2.671
   70    HD2  PRO   8           HD2      PRO   8   7.775  -3.273  -3.280
   71    HD3  PRO   8           HD1      PRO   8   7.900  -5.011  -3.640
   72    H    GLY   9           HN       GLY   9   6.850  -5.794   1.735
   73    HA2  GLY   9           HA2      GLY   9   6.697  -3.008   2.690
   74    HA3  GLY   9           HA1      GLY   9   5.684  -4.304   3.303
   75    H    ASP  10           HN       ASP  10   8.311  -5.951   2.989
   76    HA   ASP  10           HA       ASP  10   9.701  -4.954   5.373
   77    HB2  ASP  10           HB2      ASP  10   8.805  -7.805   4.903
   78    HB3  ASP  10           HB1      ASP  10   9.938  -7.323   6.156
   79    H    ASN  11           HN       ASN  11  11.916  -5.659   5.523
   80    HA   ASN  11           HA       ASN  11  13.998  -6.063   4.702
   81    HB2  ASN  11           HB2      ASN  11  12.426  -8.031   3.049
   82    HB3  ASN  11           HB1      ASN  11  14.180  -7.906   2.957
   83   HD21  ASN  11          HD21      ASN  11  12.518 -10.131   3.831
   84   HD22  ASN  11          HD22      ASN  11  13.015 -10.490   5.448
   85    H    ALA  12           HN       ALA  12  12.176  -4.066   3.384
   86    HA   ALA  12           HA       ALA  12  13.331  -3.990   0.698
   87    HB1  ALA  12           HB1      ALA  12  11.005  -2.436   1.814
   88    HB2  ALA  12           HB2      ALA  12  10.882  -3.917   0.864
   89    HB3  ALA  12           HB3      ALA  12  11.547  -2.456   0.136
   90    H    THR  13           HN       THR  13  14.058  -1.953  -0.133
   91    HA   THR  13           HA       THR  13  15.777  -0.562   1.651
   92    HB   THR  13           HB       THR  13  16.200   0.891  -0.352
   93    HG1  THR  13           HG1      THR  13  14.896  -0.828  -2.056
   94   HG21  THR  13          HG21      THR  13  17.287  -0.877  -1.651
   95   HG22  THR  13          HG22      THR  13  16.336  -2.089  -0.788
   96   HG23  THR  13          HG23      THR  13  17.521  -1.114   0.081
   97    HA   PRO  14           HA       PRO  14  13.332   2.764   3.183
   98    HB2  PRO  14           HB2      PRO  14  15.016   4.918   2.613
   99    HB3  PRO  14           HB1      PRO  14  15.119   3.897   4.057
  100    HG2  PRO  14           HG2      PRO  14  16.705   3.802   1.560
  101    HG3  PRO  14           HG1      PRO  14  17.202   3.498   3.244
  102    HD2  PRO  14           HD2      PRO  14  16.805   1.471   1.531
  103    HD3  PRO  14           HD1      PRO  14  16.376   1.332   3.246
  104    H    GLU  15           HN       GLU  15  14.838   3.266   0.018
  105    HA   GLU  15           HA       GLU  15  13.093   5.291  -0.875
  106    HB2  GLU  15           HB2      GLU  15  15.245   4.801  -1.962
  107    HB3  GLU  15           HB1      GLU  15  14.624   3.241  -2.488
  108    HG2  GLU  15           HG2      GLU  15  12.880   4.430  -3.797
  109    HG3  GLU  15           HG1      GLU  15  13.641   5.954  -3.345
  110    H    LYS  16           HN       LYS  16  13.031   1.780  -1.146
  111    HA   LYS  16           HA       LYS  16  10.710   1.660  -2.781
  112    HB2  LYS  16           HB2      LYS  16  12.448  -0.144  -2.596
  113    HB3  LYS  16           HB1      LYS  16  11.846  -0.487  -0.982
  114    HG2  LYS  16           HG2      LYS  16  10.891  -2.089  -2.434
  115    HG3  LYS  16           HG1      LYS  16   9.609  -0.953  -2.014
  116    HD2  LYS  16           HD2      LYS  16   9.479  -1.424  -4.369
  117    HD3  LYS  16           HD1      LYS  16  10.041   0.234  -4.159
  118    HE2  LYS  16           HE2      LYS  16  12.359  -0.538  -4.497
  119    HE3  LYS  16           HE1      LYS  16  11.758  -2.172  -4.764
  120    HZ1  LYS  16           HZ1      LYS  16  11.121   0.203  -6.427
  121    HZ2  LYS  16           HZ2      LYS  16  10.533  -1.360  -6.683
  122    HZ3  LYS  16           HZ3      LYS  16  12.183  -1.043  -6.846
  123    H    LEU  17           HN       LEU  17  11.314   1.278   0.682
  124    HA   LEU  17           HA       LEU  17   8.709   0.643   1.459
  125    HB2  LEU  17           HB2      LEU  17  10.966   1.980   2.915
  126    HB3  LEU  17           HB1      LEU  17   9.439   1.630   3.692
  127    HG   LEU  17           HG       LEU  17  11.306  -0.410   2.486
  128   HD11  LEU  17          HD11      LEU  17  12.201   0.588   4.514
  129   HD12  LEU  17          HD12      LEU  17  11.703  -1.080   4.803
  130   HD13  LEU  17          HD13      LEU  17  10.691   0.252   5.362
  131   HD21  LEU  17          HD21      LEU  17   8.703  -0.712   3.978
  132   HD22  LEU  17          HD22      LEU  17   9.809  -2.035   3.610
  133   HD23  LEU  17          HD23      LEU  17   9.025  -1.154   2.301
  134    H    ALA  18           HN       ALA  18  10.273   3.759   0.957
  135    HA   ALA  18           HA       ALA  18   8.262   5.366   2.059
  136    HB1  ALA  18           HB1      ALA  18   9.249   7.186   0.799
  137    HB2  ALA  18           HB2      ALA  18  10.138   6.032  -0.197
  138    HB3  ALA  18           HB3      ALA  18  10.505   6.182   1.521
  139    H    LYS  19           HN       LYS  19   8.702   4.091  -1.211
  140    HA   LYS  19           HA       LYS  19   6.386   5.405  -2.249
  141    HB2  LYS  19           HB2      LYS  19   8.321   4.616  -3.637
  142    HB3  LYS  19           HB1      LYS  19   7.776   2.968  -3.365
  143    HG2  LYS  19           HG2      LYS  19   5.717   3.397  -4.525
  144    HG3  LYS  19           HG1      LYS  19   6.109   5.111  -4.668
  145    HD2  LYS  19           HD2      LYS  19   6.559   4.048  -6.772
  146    HD3  LYS  19           HD1      LYS  19   8.097   4.481  -6.025
  147    HE2  LYS  19           HE2      LYS  19   8.296   2.152  -5.201
  148    HE3  LYS  19           HE1      LYS  19   6.817   1.751  -6.069
  149    HZ1  LYS  19           HZ1      LYS  19   7.940   2.440  -8.129
  150    HZ2  LYS  19           HZ2      LYS  19   8.702   1.134  -7.379
  151    HZ3  LYS  19           HZ3      LYS  19   9.371   2.682  -7.259
  152    H    TYR  20           HN       TYR  20   7.066   2.282  -0.811
  153    HA   TYR  20           HA       TYR  20   4.580   1.060  -1.258
  154    HB2  TYR  20           HB2      TYR  20   6.453  -0.234  -0.426
  155    HB3  TYR  20           HB1      TYR  20   6.541   0.755   1.028
  156    HD1  TYR  20           HD1      TYR  20   4.199  -1.529  -0.784
  157    HD2  TYR  20           HD2      TYR  20   5.482   0.024   2.959
  158    HE1  TYR  20           HE1      TYR  20   2.701  -3.097   0.376
  159    HE2  TYR  20           HE2      TYR  20   3.990  -1.537   4.129
  160    HH   TYR  20           HH       TYR  20   2.489  -4.162   2.577
  161    H    GLN  21           HN       GLN  21   5.742   3.119   1.381
  162    HA   GLN  21           HA       GLN  21   3.391   3.054   2.928
  163    HB2  GLN  21           HB2      GLN  21   5.524   5.184   2.715
  164    HB3  GLN  21           HB1      GLN  21   4.272   5.148   3.948
  165    HG2  GLN  21           HG2      GLN  21   5.137   3.088   4.839
  166    HG3  GLN  21           HG1      GLN  21   6.320   2.985   3.533
  167   HE21  GLN  21          HE21      GLN  21   8.081   2.996   4.911
  168   HE22  GLN  21          HE22      GLN  21   8.571   4.401   5.788
  169    H    ALA  22           HN       ALA  22   4.366   5.031   0.208
  170    HA   ALA  22           HA       ALA  22   2.296   6.945   0.413
  171    HB1  ALA  22           HB1      ALA  22   3.895   6.078  -1.992
  172    HB2  ALA  22           HB2      ALA  22   4.329   7.360  -0.862
  173    HB3  ALA  22           HB3      ALA  22   2.905   7.535  -1.888
  174    H    ASP  23           HN       ASP  23   2.633   3.940  -1.413
  175    HA   ASP  23           HA       ASP  23   0.062   4.170  -2.668
  176    HB2  ASP  23           HB2      ASP  23   1.997   2.909  -3.648
  177    HB3  ASP  23           HB1      ASP  23   1.813   1.709  -2.367
  178    H    LEU  24           HN       LEU  24   1.378   2.494   0.130
  179    HA   LEU  24           HA       LEU  24  -0.931   1.039   0.832
  180    HB2  LEU  24           HB2      LEU  24   1.480   0.802   1.691
  181    HB3  LEU  24           HB1      LEU  24   1.108   2.135   2.761
  182    HG   LEU  24           HG       LEU  24   0.964  -0.232   3.710
  183   HD11  LEU  24          HD11      LEU  24  -0.965   0.326   5.101
  184   HD12  LEU  24          HD12      LEU  24  -1.400   1.611   3.975
  185   HD13  LEU  24          HD13      LEU  24   0.107   1.709   4.883
  186   HD21  LEU  24          HD21      LEU  24  -1.062  -1.458   3.334
  187   HD22  LEU  24          HD22      LEU  24  -0.285  -1.159   1.777
  188   HD23  LEU  24          HD23      LEU  24  -1.678  -0.196   2.270
  189    H    ALA  25           HN       ALA  25   0.140   4.327   1.523
  190    HA   ALA  25           HA       ALA  25  -1.810   5.055   3.389
  191    HB1  ALA  25           HB1      ALA  25  -1.328   7.339   2.781
  192    HB2  ALA  25           HB2      ALA  25  -0.587   6.812   1.269
  193    HB3  ALA  25           HB3      ALA  25   0.171   6.412   2.811
  194    H    LYS  26           HN       LYS  26  -1.841   5.196  -0.149
  195    HA   LYS  26           HA       LYS  26  -4.435   6.225  -0.462
  196    HB2  LYS  26           HB2      LYS  26  -2.860   6.091  -2.333
  197    HB3  LYS  26           HB1      LYS  26  -2.895   4.338  -2.262
  198    HG2  LYS  26           HG2      LYS  26  -5.323   4.420  -2.782
  199    HG3  LYS  26           HG1      LYS  26  -5.170   6.162  -3.003
  200    HD2  LYS  26           HD2      LYS  26  -3.596   5.823  -4.813
  201    HD3  LYS  26           HD1      LYS  26  -3.639   4.078  -4.553
  202    HE2  LYS  26           HE2      LYS  26  -5.988   5.789  -5.367
  203    HE3  LYS  26           HE1      LYS  26  -5.042   4.771  -6.451
  204    HZ1  LYS  26           HZ1      LYS  26  -7.062   3.656  -5.786
  205    HZ2  LYS  26           HZ2      LYS  26  -6.675   3.827  -4.147
  206    HZ3  LYS  26           HZ3      LYS  26  -5.728   2.838  -5.147
  207    H    TYR  27           HN       TYR  27  -3.229   2.920  -0.156
  208    HA   TYR  27           HA       TYR  27  -5.651   1.590  -0.618
  209    HB2  TYR  27           HB2      TYR  27  -3.524   0.390  -0.641
  210    HB3  TYR  27           HB1      TYR  27  -3.288   0.739   1.066
  211    HD1  TYR  27           HD1      TYR  27  -5.412  -1.126  -1.325
  212    HD2  TYR  27           HD2      TYR  27  -4.242  -0.648   2.740
  213    HE1  TYR  27           HE1      TYR  27  -6.603  -3.193  -0.745
  214    HE2  TYR  27           HE2      TYR  27  -5.431  -2.718   3.327
  215    HH   TYR  27           HH       TYR  27  -7.224  -4.111   2.497
  216    H    GLN  28           HN       GLN  28  -4.282   2.991   2.303
  217    HA   GLN  28           HA       GLN  28  -6.066   1.925   4.171
  218    HB2  GLN  28           HB2      GLN  28  -4.714   4.634   4.153
  219    HB3  GLN  28           HB1      GLN  28  -5.553   3.954   5.538
  220    HG2  GLN  28           HG2      GLN  28  -3.938   2.104   5.601
  221    HG3  GLN  28           HG1      GLN  28  -3.088   2.814   4.224
  222   HE21  GLN  28          HE21      GLN  28  -1.183   3.139   5.368
  223   HE22  GLN  28          HE22      GLN  28  -1.027   4.341   6.598
  224    H    LYS  29           HN       LYS  29  -6.268   4.901   2.251
  225    HA   LYS  29           HA       LYS  29  -8.735   5.759   3.326
  226    HB2  LYS  29           HB2      LYS  29  -7.133   7.252   2.153
  227    HB3  LYS  29           HB1      LYS  29  -7.546   6.457   0.636
  228    HG2  LYS  29           HG2      LYS  29  -9.744   7.306   0.674
  229    HG3  LYS  29           HG1      LYS  29  -9.603   7.811   2.357
  230    HD2  LYS  29           HD2      LYS  29  -9.450   9.748   0.925
  231    HD3  LYS  29           HD1      LYS  29  -7.885   9.456   1.682
  232    HE2  LYS  29           HE2      LYS  29  -7.517  10.007  -0.616
  233    HE3  LYS  29           HE1      LYS  29  -7.169   8.294  -0.401
  234    HZ1  LYS  29           HZ1      LYS  29  -8.446   8.693  -2.405
  235    HZ2  LYS  29           HZ2      LYS  29  -9.681   9.419  -1.512
  236    HZ3  LYS  29           HZ3      LYS  29  -9.348   7.777  -1.307
  237    H    ASP  30           HN       ASP  30  -7.919   3.983   0.357
  238    HA   ASP  30           HA       ASP  30 -10.555   3.685  -0.585
  239    HB2  ASP  30           HB2      ASP  30  -8.056   2.051  -1.014
  240    HB3  ASP  30           HB1      ASP  30  -9.598   1.596  -1.735
  241    H    LEU  31           HN       LEU  31  -8.603   1.741   1.597
  242    HA   LEU  31           HA       LEU  31 -10.393  -0.402   1.956
  243    HB2  LEU  31           HB2      LEU  31  -7.989  -0.372   2.642
  244    HB3  LEU  31           HB1      LEU  31  -8.408   0.735   3.932
  245    HG   LEU  31           HG       LEU  31  -9.864  -1.019   4.915
  246   HD11  LEU  31          HD11      LEU  31  -8.647  -2.738   2.756
  247   HD12  LEU  31          HD12      LEU  31 -10.355  -2.345   2.959
  248   HD13  LEU  31          HD13      LEU  31  -9.533  -3.345   4.154
  249   HD21  LEU  31          HD21      LEU  31  -7.995  -2.381   5.757
  250   HD22  LEU  31          HD22      LEU  31  -7.623  -0.657   5.737
  251   HD23  LEU  31          HD23      LEU  31  -6.966  -1.716   4.490
  252    H    ALA  32           HN       ALA  32  -9.988   2.664   3.646
  253    HA   ALA  32           HA       ALA  32 -11.874   2.255   5.679
  254    HB1  ALA  32           HB1      ALA  32 -11.041   4.844   4.387
  255    HB2  ALA  32           HB2      ALA  32 -10.202   4.045   5.717
  256    HB3  ALA  32           HB3      ALA  32 -11.835   4.671   5.952
  257    H    ASP  33           HN       ASP  33 -12.143   3.708   2.473
  258    HA   ASP  33           HA       ASP  33 -14.860   4.445   2.720
  259    HB2  ASP  33           HB2      ASP  33 -13.255   5.392   1.044
  260    HB3  ASP  33           HB1      ASP  33 -13.355   3.872   0.161
  261    H    TYR  34           HN       TYR  34 -13.257   1.506   1.812
  262    HA   TYR  34           HA       TYR  34 -15.556   0.227   0.675
  263    HB2  TYR  34           HB2      TYR  34 -13.288  -0.438   0.026
  264    HB3  TYR  34           HB1      TYR  34 -12.946  -0.926   1.680
  265    HD1  TYR  34           HD1      TYR  34 -15.321  -1.644  -1.105
  266    HD2  TYR  34           HD2      TYR  34 -13.215  -3.148   2.267
  267    HE1  TYR  34           HE1      TYR  34 -16.124  -3.905  -1.621
  268    HE2  TYR  34           HE2      TYR  34 -14.015  -5.411   1.764
  269    HH   TYR  34           HH       TYR  34 -15.648  -6.182  -1.196
  270    HN1  NH2  35           HN1      NH2  35 -14.079   0.410   3.831
  271    HN2  NH2  35           HN2      NH2  35 -15.282  -0.502   4.673
  Start of MODEL   15
    1    H1   ACE   0           HA1      ACE   0 -14.944  -2.305  -3.962
    2    H2   ACE   0           HA2      ACE   0 -14.572  -1.395  -5.424
    3    H3   ACE   0           HA3      ACE   0 -13.466  -1.298  -4.053
    4    HA   PRO   1           HA       PRO   1 -12.839  -3.351  -2.388
    5    HB2  PRO   1           HB2      PRO   1 -11.645  -6.045  -2.633
    6    HB3  PRO   1           HB1      PRO   1 -12.760  -5.421  -1.406
    7    HG2  PRO   1           HG2      PRO   1 -13.533  -7.197  -3.240
    8    HG3  PRO   1           HG1      PRO   1 -14.620  -5.943  -2.615
    9    HD2  PRO   1           HD2      PRO   1 -13.185  -6.058  -5.233
   10    HD3  PRO   1           HD1      PRO   1 -14.807  -5.437  -4.859
   11    HA   PRO   2           HA       PRO   2  -8.841  -2.057  -3.870
   12    HB2  PRO   2           HB2      PRO   2  -7.812  -1.270  -1.448
   13    HB3  PRO   2           HB1      PRO   2  -8.924  -0.280  -2.418
   14    HG2  PRO   2           HG2      PRO   2  -9.496  -2.001  -0.062
   15    HG3  PRO   2           HG1      PRO   2 -10.144  -0.402  -0.481
   16    HD2  PRO   2           HD2      PRO   2 -11.560  -2.663  -0.879
   17    HD3  PRO   2           HD1      PRO   2 -11.689  -1.265  -1.964
   18    H    THR   3           HN       THR   3  -6.895  -3.007  -4.099
   19    HA   THR   3           HA       THR   3  -6.484  -5.520  -2.680
   20    HB   THR   3           HB       THR   3  -4.900  -4.447  -5.009
   21    HG1  THR   3           HG1      THR   3  -6.847  -4.589  -5.929
   22   HG21  THR   3          HG21      THR   3  -4.407  -6.801  -5.412
   23   HG22  THR   3          HG22      THR   3  -5.405  -7.259  -4.033
   24   HG23  THR   3          HG23      THR   3  -3.922  -6.339  -3.780
   25    H    LYS   4           HN       LYS   4  -4.841  -5.861  -1.286
   26    HA   LYS   4           HA       LYS   4  -3.342  -3.751  -0.210
   27    HB2  LYS   4           HB2      LYS   4  -2.882  -6.739  -0.125
   28    HB3  LYS   4           HB1      LYS   4  -1.946  -5.580   0.819
   29    HG2  LYS   4           HG2      LYS   4  -4.022  -4.838   1.912
   30    HG3  LYS   4           HG1      LYS   4  -4.912  -6.064   1.010
   31    HD2  LYS   4           HD2      LYS   4  -3.604  -7.817   2.074
   32    HD3  LYS   4           HD1      LYS   4  -2.651  -6.600   2.927
   33    HE2  LYS   4           HE2      LYS   4  -4.672  -5.828   4.076
   34    HE3  LYS   4           HE1      LYS   4  -5.619  -7.050   3.230
   35    HZ1  LYS   4           HZ1      LYS   4  -4.256  -8.756   4.305
   36    HZ2  LYS   4           HZ2      LYS   4  -5.074  -7.801   5.433
   37    HZ3  LYS   4           HZ3      LYS   4  -3.423  -7.559   5.163
   38    HA   PRO   5           HA       PRO   5  -0.233  -2.957  -3.132
   39    HB2  PRO   5           HB2      PRO   5   1.802  -2.922  -0.982
   40    HB3  PRO   5           HB1      PRO   5   1.316  -1.632  -2.102
   41    HG2  PRO   5           HG2      PRO   5   0.637  -1.542   0.456
   42    HG3  PRO   5           HG1      PRO   5  -0.471  -0.989  -0.824
   43    HD2  PRO   5           HD2      PRO   5  -0.518  -3.547   0.736
   44    HD3  PRO   5           HD1      PRO   5  -1.871  -2.515   0.212
   45    H    THR   6           HN       THR   6   0.699  -4.269  -4.498
   46    HA   THR   6           HA       THR   6   1.680  -6.859  -3.748
   47    HB   THR   6           HB       THR   6   2.006  -5.506  -6.421
   48    HG1  THR   6           HG1      THR   6  -0.123  -7.028  -6.506
   49   HG21  THR   6          HG21      THR   6   3.192  -7.625  -6.139
   50   HG22  THR   6          HG22      THR   6   1.856  -7.802  -7.276
   51   HG23  THR   6          HG23      THR   6   1.694  -8.401  -5.625
   52    H    LYS   7           HN       LYS   7   2.919  -3.754  -3.907
   53    HA   LYS   7           HA       LYS   7   5.603  -4.160  -4.632
   54    HB2  LYS   7           HB2      LYS   7   4.425  -2.108  -2.750
   55    HB3  LYS   7           HB1      LYS   7   5.998  -2.005  -3.521
   56    HG2  LYS   7           HG2      LYS   7   4.988  -1.767  -5.684
   57    HG3  LYS   7           HG1      LYS   7   3.379  -2.071  -5.012
   58    HD2  LYS   7           HD2      LYS   7   3.613  -0.035  -3.622
   59    HD3  LYS   7           HD1      LYS   7   5.175   0.279  -4.380
   60    HE2  LYS   7           HE2      LYS   7   3.420   1.625  -5.402
   61    HE3  LYS   7           HE1      LYS   7   4.082   0.473  -6.558
   62    HZ1  LYS   7           HZ1      LYS   7   2.173  -0.947  -6.209
   63    HZ2  LYS   7           HZ2      LYS   7   1.661   0.599  -6.660
   64    HZ3  LYS   7           HZ3      LYS   7   1.548   0.112  -5.042
   65    HA   PRO   8           HA       PRO   8   7.275  -6.116  -0.991
   66    HB2  PRO   8           HB2      PRO   8   9.818  -5.123  -1.075
   67    HB3  PRO   8           HB1      PRO   8   9.247  -6.424  -2.136
   68    HG2  PRO   8           HG2      PRO   8   9.588  -3.532  -2.708
   69    HG3  PRO   8           HG1      PRO   8   9.935  -4.936  -3.738
   70    HD2  PRO   8           HD2      PRO   8   7.699  -3.413  -4.034
   71    HD3  PRO   8           HD1      PRO   8   7.743  -5.149  -4.414
   72    H    GLY   9           HN       GLY   9   7.318  -5.620   1.133
   73    HA2  GLY   9           HA2      GLY   9   7.867  -2.844   1.914
   74    HA3  GLY   9           HA1      GLY   9   6.327  -3.556   2.361
   75    H    ASP  10           HN       ASP  10   8.991  -5.687   2.316
   76    HA   ASP  10           HA       ASP  10   9.044  -5.632   5.257
   77    HB2  ASP  10           HB2      ASP  10   9.675  -7.892   3.351
   78    HB3  ASP  10           HB1      ASP  10   9.912  -7.972   5.091
   79    H    ASN  11           HN       ASN  11  11.279  -6.815   2.773
   80    HA   ASN  11           HA       ASN  11  13.475  -5.536   4.252
   81    HB2  ASN  11           HB2      ASN  11  13.579  -7.775   2.215
   82    HB3  ASN  11           HB1      ASN  11  14.964  -7.107   3.069
   83   HD21  ASN  11          HD21      ASN  11  12.187  -9.149   3.277
   84   HD22  ASN  11          HD22      ASN  11  12.540  -9.824   4.827
   85    H    ALA  12           HN       ALA  12  11.617  -4.324   2.259
   86    HA   ALA  12           HA       ALA  12  13.092  -3.815  -0.117
   87    HB1  ALA  12           HB1      ALA  12  10.642  -3.642  -0.002
   88    HB2  ALA  12           HB2      ALA  12  11.392  -2.160  -0.597
   89    HB3  ALA  12           HB3      ALA  12  10.806  -2.247   1.066
   90    H    THR  13           HN       THR  13  13.905  -1.717  -0.770
   91    HA   THR  13           HA       THR  13  15.677  -0.606   1.133
   92    HB   THR  13           HB       THR  13  16.205   1.044  -0.623
   93    HG1  THR  13           HG1      THR  13  14.989   0.319  -2.728
   94   HG21  THR  13          HG21      THR  13  17.243  -1.176  -0.642
   95   HG22  THR  13          HG22      THR  13  17.047  -0.530  -2.270
   96   HG23  THR  13          HG23      THR  13  15.941  -1.767  -1.671
   97    HA   PRO  14           HA       PRO  14  13.245   2.445   3.189
   98    HB2  PRO  14           HB2      PRO  14  15.077   4.541   3.207
   99    HB3  PRO  14           HB1      PRO  14  15.054   3.212   4.378
  100    HG2  PRO  14           HG2      PRO  14  16.745   3.578   1.971
  101    HG3  PRO  14           HG1      PRO  14  17.160   2.909   3.568
  102    HD2  PRO  14           HD2      PRO  14  16.749   1.300   1.466
  103    HD3  PRO  14           HD1      PRO  14  16.232   0.836   3.099
  104    H    GLU  15           HN       GLU  15  14.910   3.258   0.236
  105    HA   GLU  15           HA       GLU  15  13.449   5.570  -0.449
  106    HB2  GLU  15           HB2      GLU  15  15.582   5.019  -1.477
  107    HB3  GLU  15           HB1      GLU  15  14.900   3.552  -2.162
  108    HG2  GLU  15           HG2      GLU  15  13.400   4.894  -3.553
  109    HG3  GLU  15           HG1      GLU  15  14.081   6.364  -2.854
  110    H    LYS  16           HN       LYS  16  13.056   2.143  -1.244
  111    HA   LYS  16           HA       LYS  16  10.752   2.586  -2.885
  112    HB2  LYS  16           HB2      LYS  16  12.357   0.709  -3.224
  113    HB3  LYS  16           HB1      LYS  16  11.804   0.008  -1.710
  114    HG2  LYS  16           HG2      LYS  16   9.578  -0.283  -2.627
  115    HG3  LYS  16           HG1      LYS  16  10.080   0.488  -4.132
  116    HD2  LYS  16           HD2      LYS  16  11.246  -2.057  -3.005
  117    HD3  LYS  16           HD1      LYS  16  10.044  -1.974  -4.293
  118    HE2  LYS  16           HE2      LYS  16  12.820  -0.792  -4.397
  119    HE3  LYS  16           HE1      LYS  16  12.319  -2.296  -5.164
  120    HZ1  LYS  16           HZ1      LYS  16  10.784  -1.067  -6.537
  121    HZ2  LYS  16           HZ2      LYS  16  12.340  -0.437  -6.717
  122    HZ3  LYS  16           HZ3      LYS  16  11.202   0.385  -5.777
  123    H    LEU  17           HN       LEU  17  11.368   1.690   0.441
  124    HA   LEU  17           HA       LEU  17   8.809   0.858   1.164
  125    HB2  LEU  17           HB2      LEU  17  10.984   2.188   2.743
  126    HB3  LEU  17           HB1      LEU  17   9.490   1.652   3.476
  127    HG   LEU  17           HG       LEU  17  11.475  -0.123   2.057
  128   HD11  LEU  17          HD11      LEU  17  11.980  -0.978   4.277
  129   HD12  LEU  17          HD12      LEU  17  10.863   0.186   4.990
  130   HD13  LEU  17          HD13      LEU  17  12.321   0.748   4.173
  131   HD21  LEU  17          HD21      LEU  17  10.109  -1.941   3.056
  132   HD22  LEU  17          HD22      LEU  17   9.263  -1.010   1.822
  133   HD23  LEU  17          HD23      LEU  17   8.918  -0.729   3.529
  134    H    ALA  18           HN       ALA  18  10.135   4.072   0.760
  135    HA   ALA  18           HA       ALA  18   8.055   5.522   1.961
  136    HB1  ALA  18           HB1      ALA  18   9.794   6.301  -0.370
  137    HB2  ALA  18           HB2      ALA  18  10.194   6.518   1.334
  138    HB3  ALA  18           HB3      ALA  18   8.841   7.400   0.626
  139    H    LYS  19           HN       LYS  19   8.547   4.385  -1.344
  140    HA   LYS  19           HA       LYS  19   6.135   5.370  -2.425
  141    HB2  LYS  19           HB2      LYS  19   8.078   4.578  -3.765
  142    HB3  LYS  19           HB1      LYS  19   7.722   2.933  -3.265
  143    HG2  LYS  19           HG2      LYS  19   5.473   3.193  -4.342
  144    HG3  LYS  19           HG1      LYS  19   6.045   4.726  -5.000
  145    HD2  LYS  19           HD2      LYS  19   7.268   2.010  -5.488
  146    HD3  LYS  19           HD1      LYS  19   6.291   2.928  -6.632
  147    HE2  LYS  19           HE2      LYS  19   8.948   3.795  -5.499
  148    HE3  LYS  19           HE1      LYS  19   8.695   3.109  -7.101
  149    HZ1  LYS  19           HZ1      LYS  19   8.843   5.524  -7.154
  150    HZ2  LYS  19           HZ2      LYS  19   7.511   5.647  -6.122
  151    HZ3  LYS  19           HZ3      LYS  19   7.322   4.997  -7.670
  152    H    TYR  20           HN       TYR  20   7.038   2.378  -0.837
  153    HA   TYR  20           HA       TYR  20   4.620   0.988  -1.168
  154    HB2  TYR  20           HB2      TYR  20   6.731  -0.069  -0.438
  155    HB3  TYR  20           HB1      TYR  20   6.617   0.791   1.095
  156    HD1  TYR  20           HD1      TYR  20   4.932  -1.736  -1.015
  157    HD2  TYR  20           HD2      TYR  20   5.358  -0.106   2.888
  158    HE1  TYR  20           HE1      TYR  20   3.612  -3.593  -0.104
  159    HE2  TYR  20           HE2      TYR  20   4.036  -1.965   3.812
  160    HH   TYR  20           HH       TYR  20   2.405  -3.613   3.094
  161    H    GLN  21           HN       GLN  21   5.780   3.116   1.427
  162    HA   GLN  21           HA       GLN  21   3.531   2.863   3.095
  163    HB2  GLN  21           HB2      GLN  21   5.516   5.115   2.787
  164    HB3  GLN  21           HB1      GLN  21   4.283   5.071   4.036
  165    HG2  GLN  21           HG2      GLN  21   5.251   2.996   4.911
  166    HG3  GLN  21           HG1      GLN  21   6.501   3.069   3.667
  167   HE21  GLN  21          HE21      GLN  21   8.155   3.191   5.206
  168   HE22  GLN  21          HE22      GLN  21   8.442   4.627   6.126
  169    H    ALA  22           HN       ALA  22   4.226   5.018   0.403
  170    HA   ALA  22           HA       ALA  22   1.972   6.680   0.702
  171    HB1  ALA  22           HB1      ALA  22   3.529   5.991  -1.785
  172    HB2  ALA  22           HB2      ALA  22   3.880   7.312  -0.671
  173    HB3  ALA  22           HB3      ALA  22   2.395   7.333  -1.624
  174    H    ASP  23           HN       ASP  23   2.524   3.724  -1.160
  175    HA   ASP  23           HA       ASP  23  -0.085   3.700  -2.324
  176    HB2  ASP  23           HB2      ASP  23   1.915   2.574  -3.324
  177    HB3  ASP  23           HB1      ASP  23   1.855   1.394  -2.014
  178    H    LEU  24           HN       LEU  24   1.402   2.222   0.491
  179    HA   LEU  24           HA       LEU  24  -0.801   0.643   1.303
  180    HB2  LEU  24           HB2      LEU  24   1.566   0.432   2.125
  181    HB3  LEU  24           HB1      LEU  24   1.336   1.911   3.029
  182    HG   LEU  24           HG       LEU  24   1.185  -0.318   4.283
  183   HD11  LEU  24          HD11      LEU  24   0.565   1.775   5.299
  184   HD12  LEU  24          HD12      LEU  24  -0.592   0.523   5.751
  185   HD13  LEU  24          HD13      LEU  24  -1.017   1.717   4.523
  186   HD21  LEU  24          HD21      LEU  24  -0.998  -1.387   4.301
  187   HD22  LEU  24          HD22      LEU  24  -0.273  -1.469   2.696
  188   HD23  LEU  24          HD23      LEU  24  -1.552  -0.304   3.027
  189    H    ALA  25           HN       ALA  25   0.165   3.978   2.000
  190    HA   ALA  25           HA       ALA  25  -1.928   4.619   3.759
  191    HB1  ALA  25           HB1      ALA  25  -0.485   6.436   1.840
  192    HB2  ALA  25           HB2      ALA  25   0.067   6.005   3.458
  193    HB3  ALA  25           HB3      ALA  25  -1.417   6.937   3.253
  194    H    LYS  26           HN       LYS  26  -1.671   4.840   0.233
  195    HA   LYS  26           HA       LYS  26  -4.214   5.931  -0.262
  196    HB2  LYS  26           HB2      LYS  26  -2.465   5.777  -2.000
  197    HB3  LYS  26           HB1      LYS  26  -2.623   4.026  -1.993
  198    HG2  LYS  26           HG2      LYS  26  -4.998   4.296  -2.680
  199    HG3  LYS  26           HG1      LYS  26  -4.703   6.026  -2.842
  200    HD2  LYS  26           HD2      LYS  26  -3.023   5.607  -4.541
  201    HD3  LYS  26           HD1      LYS  26  -3.223   3.866  -4.337
  202    HE2  LYS  26           HE2      LYS  26  -5.362   5.778  -5.274
  203    HE3  LYS  26           HE1      LYS  26  -4.416   4.715  -6.314
  204    HZ1  LYS  26           HZ1      LYS  26  -6.285   3.841  -4.165
  205    HZ2  LYS  26           HZ2      LYS  26  -5.354   2.812  -5.138
  206    HZ3  LYS  26           HZ3      LYS  26  -6.567   3.755  -5.833
  207    H    TYR  27           HN       TYR  27  -3.080   2.637   0.168
  208    HA   TYR  27           HA       TYR  27  -5.465   1.305  -0.453
  209    HB2  TYR  27           HB2      TYR  27  -3.423   0.049  -0.260
  210    HB3  TYR  27           HB1      TYR  27  -3.206   0.565   1.405
  211    HD1  TYR  27           HD1      TYR  27  -5.490  -1.403  -0.782
  212    HD2  TYR  27           HD2      TYR  27  -4.021  -0.748   3.158
  213    HE1  TYR  27           HE1      TYR  27  -6.671  -3.412  -0.011
  214    HE2  TYR  27           HE2      TYR  27  -5.197  -2.754   3.933
  215    HH   TYR  27           HH       TYR  27  -6.689  -4.983   1.730
  216    H    GLN  28           HN       GLN  28  -4.280   2.666   2.591
  217    HA   GLN  28           HA       GLN  28  -6.395   1.855   4.237
  218    HB2  GLN  28           HB2      GLN  28  -4.684   4.347   4.337
  219    HB3  GLN  28           HB1      GLN  28  -5.811   3.889   5.604
  220    HG2  GLN  28           HG2      GLN  28  -4.543   1.859   6.033
  221    HG3  GLN  28           HG1      GLN  28  -3.433   2.259   4.716
  222   HE21  GLN  28          HE21      GLN  28  -1.670   2.318   6.137
  223   HE22  GLN  28          HE22      GLN  28  -1.420   3.637   7.222
  224    H    LYS  29           HN       LYS  29  -5.988   4.716   2.212
  225    HA   LYS  29           HA       LYS  29  -8.366   6.024   2.927
  226    HB2  LYS  29           HB2      LYS  29  -6.482   7.108   1.751
  227    HB3  LYS  29           HB1      LYS  29  -6.846   6.162   0.314
  228    HG2  LYS  29           HG2      LYS  29  -9.027   7.257   0.153
  229    HG3  LYS  29           HG1      LYS  29  -8.652   8.210   1.587
  230    HD2  LYS  29           HD2      LYS  29  -6.763   9.229   0.436
  231    HD3  LYS  29           HD1      LYS  29  -7.084   8.244  -0.991
  232    HE2  LYS  29           HE2      LYS  29  -9.275   9.315  -1.229
  233    HE3  LYS  29           HE1      LYS  29  -8.941  10.305   0.192
  234    HZ1  LYS  29           HZ1      LYS  29  -7.072  11.286  -0.985
  235    HZ2  LYS  29           HZ2      LYS  29  -8.507  11.518  -1.843
  236    HZ3  LYS  29           HZ3      LYS  29  -7.402  10.344  -2.347
  237    H    ASP  30           HN       ASP  30  -7.627   3.901   0.168
  238    HA   ASP  30           HA       ASP  30 -10.268   3.849  -0.843
  239    HB2  ASP  30           HB2      ASP  30  -7.918   1.998  -1.217
  240    HB3  ASP  30           HB1      ASP  30  -9.479   1.707  -1.987
  241    H    LEU  31           HN       LEU  31  -8.594   1.930   1.544
  242    HA   LEU  31           HA       LEU  31 -10.476  -0.145   1.843
  243    HB2  LEU  31           HB2      LEU  31  -8.116  -0.065   2.750
  244    HB3  LEU  31           HB1      LEU  31  -8.701   1.023   3.990
  245    HG   LEU  31           HG       LEU  31 -10.194  -0.754   4.826
  246   HD11  LEU  31          HD11      LEU  31  -8.823  -2.424   2.724
  247   HD12  LEU  31          HD12      LEU  31 -10.545  -2.051   2.829
  248   HD13  LEU  31          HD13      LEU  31  -9.788  -3.072   4.050
  249   HD21  LEU  31          HD21      LEU  31  -8.412  -2.137   5.794
  250   HD22  LEU  31          HD22      LEU  31  -8.008  -0.421   5.816
  251   HD23  LEU  31          HD23      LEU  31  -7.277  -1.482   4.611
  252    H    ALA  32           HN       ALA  32 -10.085   2.941   3.531
  253    HA   ALA  32           HA       ALA  32 -12.334   2.730   5.202
  254    HB1  ALA  32           HB1      ALA  32 -12.132   5.128   5.476
  255    HB2  ALA  32           HB2      ALA  32 -11.088   5.219   4.057
  256    HB3  ALA  32           HB3      ALA  32 -10.534   4.378   5.507
  257    H    ASP  33           HN       ASP  33 -11.881   4.013   1.965
  258    HA   ASP  33           HA       ASP  33 -14.471   5.043   1.581
  259    HB2  ASP  33           HB2      ASP  33 -12.559   5.650   0.160
  260    HB3  ASP  33           HB1      ASP  33 -12.498   4.008  -0.466
  261    H    TYR  34           HN       TYR  34 -13.176   1.835   1.365
  262    HA   TYR  34           HA       TYR  34 -15.475   0.781  -0.043
  263    HB2  TYR  34           HB2      TYR  34 -13.224  -0.158  -0.432
  264    HB3  TYR  34           HB1      TYR  34 -13.151  -0.660   1.251
  265    HD1  TYR  34           HD1      TYR  34 -15.525  -1.007  -1.622
  266    HD2  TYR  34           HD2      TYR  34 -13.542  -2.891   1.633
  267    HE1  TYR  34           HE1      TYR  34 -16.566  -3.143  -2.229
  268    HE2  TYR  34           HE2      TYR  34 -14.575  -5.031   1.031
  269    HH   TYR  34           HH       TYR  34 -16.420  -5.917  -0.178
  270    HN1  NH2  35           HN1      NH2  35 -14.237   0.927   3.217
  271    HN2  NH2  35           HN2      NH2  35 -15.612   0.218   3.988
  Start of MODEL   16
    1    H1   ACE   0           HA1      ACE   0 -15.058  -2.810  -2.297
    2    H2   ACE   0           HA2      ACE   0 -14.916  -2.372  -3.998
    3    H3   ACE   0           HA3      ACE   0 -13.557  -2.059  -2.922
    4    HA   PRO   1           HA       PRO   1 -12.494  -3.522  -0.950
    5    HB2  PRO   1           HB2      PRO   1 -10.871  -5.815  -0.724
    6    HB3  PRO   1           HB1      PRO   1 -12.231  -5.395   0.327
    7    HG2  PRO   1           HG2      PRO   1 -12.129  -7.262  -1.963
    8    HG3  PRO   1           HG1      PRO   1 -13.067  -7.360  -0.459
    9    HD2  PRO   1           HD2      PRO   1 -14.238  -6.680  -2.772
   10    HD3  PRO   1           HD1      PRO   1 -14.718  -5.917  -1.239
   11    HA   PRO   2           HA       PRO   2  -9.336  -2.230  -3.795
   12    HB2  PRO   2           HB2      PRO   2  -7.569  -1.225  -1.925
   13    HB3  PRO   2           HB1      PRO   2  -8.986  -0.346  -2.539
   14    HG2  PRO   2           HG2      PRO   2  -8.654  -1.853   0.004
   15    HG3  PRO   2           HG1      PRO   2  -9.503  -0.326  -0.308
   16    HD2  PRO   2           HD2      PRO   2 -10.830  -2.652  -0.018
   17    HD3  PRO   2           HD1      PRO   2 -11.389  -1.381  -1.123
   18    H    THR   3           HN       THR   3  -7.328  -2.884  -4.539
   19    HA   THR   3           HA       THR   3  -6.442  -5.459  -3.628
   20    HB   THR   3           HB       THR   3  -5.173  -3.669  -5.703
   21    HG1  THR   3           HG1      THR   3  -7.577  -4.660  -5.766
   22   HG21  THR   3          HG21      THR   3  -3.778  -5.543  -4.944
   23   HG22  THR   3          HG22      THR   3  -4.299  -5.759  -6.615
   24   HG23  THR   3          HG23      THR   3  -5.087  -6.662  -5.322
   25    H    LYS   4           HN       LYS   4  -4.779  -5.905  -2.318
   26    HA   LYS   4           HA       LYS   4  -3.417  -3.820  -0.939
   27    HB2  LYS   4           HB2      LYS   4  -2.808  -6.783  -1.041
   28    HB3  LYS   4           HB1      LYS   4  -2.164  -5.642   0.137
   29    HG2  LYS   4           HG2      LYS   4  -4.396  -5.265   1.017
   30    HG3  LYS   4           HG1      LYS   4  -5.071  -6.352  -0.198
   31    HD2  LYS   4           HD2      LYS   4  -3.635  -8.168   0.743
   32    HD3  LYS   4           HD1      LYS   4  -3.175  -7.057   2.036
   33    HE2  LYS   4           HE2      LYS   4  -5.989  -7.950   1.411
   34    HE3  LYS   4           HE1      LYS   4  -4.981  -8.586   2.710
   35    HZ1  LYS   4           HZ1      LYS   4  -4.924  -6.356   3.678
   36    HZ2  LYS   4           HZ2      LYS   4  -6.505  -6.936   3.549
   37    HZ3  LYS   4           HZ3      LYS   4  -5.937  -5.784   2.446
   38    HA   PRO   5           HA       PRO   5  -0.171  -3.003  -3.841
   39    HB2  PRO   5           HB2      PRO   5   1.800  -2.324  -2.008
   40    HB3  PRO   5           HB1      PRO   5   0.565  -1.214  -2.634
   41    HG2  PRO   5           HG2      PRO   5   0.646  -2.692  -0.057
   42    HG3  PRO   5           HG1      PRO   5   0.054  -1.052  -0.415
   43    HD2  PRO   5           HD2      PRO   5  -1.638  -3.112  -0.041
   44    HD3  PRO   5           HD1      PRO   5  -1.984  -1.813  -1.211
   45    H    THR   6           HN       THR   6   1.016  -4.433  -4.869
   46    HA   THR   6           HA       THR   6   1.979  -6.816  -3.599
   47    HB   THR   6           HB       THR   6   2.544  -5.866  -6.406
   48    HG1  THR   6           HG1      THR   6   0.372  -7.518  -5.608
   49   HG21  THR   6          HG21      THR   6   3.843  -7.812  -5.689
   50   HG22  THR   6          HG22      THR   6   2.653  -8.268  -6.908
   51   HG23  THR   6          HG23      THR   6   2.359  -8.631  -5.208
   52    H    LYS   7           HN       LYS   7   3.125  -3.772  -3.641
   53    HA   LYS   7           HA       LYS   7   5.871  -4.100  -4.258
   54    HB2  LYS   7           HB2      LYS   7   4.691  -1.991  -2.456
   55    HB3  LYS   7           HB1      LYS   7   6.149  -1.880  -3.428
   56    HG2  LYS   7           HG2      LYS   7   4.766  -1.986  -5.467
   57    HG3  LYS   7           HG1      LYS   7   3.320  -2.009  -4.452
   58    HD2  LYS   7           HD2      LYS   7   4.111   0.172  -3.468
   59    HD3  LYS   7           HD1      LYS   7   5.355   0.203  -4.719
   60    HE2  LYS   7           HE2      LYS   7   2.367   0.230  -5.103
   61    HE3  LYS   7           HE1      LYS   7   3.502   1.531  -5.459
   62    HZ1  LYS   7           HZ1      LYS   7   4.503   0.108  -7.161
   63    HZ2  LYS   7           HZ2      LYS   7   2.869   0.402  -7.471
   64    HZ3  LYS   7           HZ3      LYS   7   3.351  -1.094  -6.844
   65    HA   PRO   8           HA       PRO   8   7.476  -5.990  -0.618
   66    HB2  PRO   8           HB2      PRO   8   9.852  -4.635  -0.348
   67    HB3  PRO   8           HB1      PRO   8   9.584  -5.942  -1.515
   68    HG2  PRO   8           HG2      PRO   8   9.530  -2.999  -1.932
   69    HG3  PRO   8           HG1      PRO   8  10.207  -4.274  -2.967
   70    HD2  PRO   8           HD2      PRO   8   7.828  -3.126  -3.509
   71    HD3  PRO   8           HD1      PRO   8   8.138  -4.845  -3.842
   72    H    GLY   9           HN       GLY   9   7.318  -5.734   1.531
   73    HA2  GLY   9           HA2      GLY   9   7.523  -3.073   2.709
   74    HA3  GLY   9           HA1      GLY   9   5.969  -3.883   2.845
   75    H    ASP  10           HN       ASP  10   8.722  -5.887   2.841
   76    HA   ASP  10           HA       ASP  10   8.496  -6.217   5.759
   77    HB2  ASP  10           HB2      ASP  10   9.146  -8.298   3.660
   78    HB3  ASP  10           HB1      ASP  10   9.224  -8.578   5.395
   79    H    ASN  11           HN       ASN  11  10.665  -6.475   3.001
   80    HA   ASN  11           HA       ASN  11  12.812  -5.275   4.542
   81    HB2  ASN  11           HB2      ASN  11  13.210  -7.650   4.923
   82    HB3  ASN  11           HB1      ASN  11  13.090  -7.976   3.200
   83   HD21  ASN  11          HD21      ASN  11  15.062  -6.644   5.735
   84   HD22  ASN  11          HD22      ASN  11  16.527  -6.562   4.820
   85    H    ALA  12           HN       ALA  12  13.237  -3.577   3.270
   86    HA   ALA  12           HA       ALA  12  13.938  -3.923   0.507
   87    HB1  ALA  12           HB1      ALA  12  12.196  -2.491  -0.411
   88    HB2  ALA  12           HB2      ALA  12  11.453  -2.350   1.182
   89    HB3  ALA  12           HB3      ALA  12  11.490  -3.910   0.361
   90    H    THR  13           HN       THR  13  14.296  -1.676  -0.505
   91    HA   THR  13           HA       THR  13  16.003  -0.175   1.210
   92    HB   THR  13           HB       THR  13  16.207   1.351  -0.745
   93    HG1  THR  13           HG1      THR  13  15.129   0.629  -2.698
   94   HG21  THR  13          HG21      THR  13  17.660  -0.588  -0.547
   95   HG22  THR  13          HG22      THR  13  17.252  -0.302  -2.238
   96   HG23  THR  13          HG23      THR  13  16.452  -1.595  -1.344
   97    HA   PRO  14           HA       PRO  14  13.270   2.699   3.074
   98    HB2  PRO  14           HB2      PRO  14  14.735   5.044   2.770
   99    HB3  PRO  14           HB1      PRO  14  14.980   3.856   4.062
  100    HG2  PRO  14           HG2      PRO  14  16.482   4.239   1.540
  101    HG3  PRO  14           HG1      PRO  14  17.066   3.791   3.162
  102    HD2  PRO  14           HD2      PRO  14  16.809   1.951   1.220
  103    HD3  PRO  14           HD1      PRO  14  16.468   1.565   2.917
  104    H    GLU  15           HN       GLU  15  14.673   3.654  -0.026
  105    HA   GLU  15           HA       GLU  15  12.770   5.617  -0.699
  106    HB2  GLU  15           HB2      GLU  15  14.897   5.422  -1.878
  107    HB3  GLU  15           HB1      GLU  15  14.442   3.832  -2.476
  108    HG2  GLU  15           HG2      GLU  15  12.532   4.913  -3.676
  109    HG3  GLU  15           HG1      GLU  15  13.196   6.474  -3.193
  110    H    LYS  16           HN       LYS  16  12.913   2.139  -1.211
  111    HA   LYS  16           HA       LYS  16  10.564   2.053  -2.839
  112    HB2  LYS  16           HB2      LYS  16  12.479   0.396  -2.926
  113    HB3  LYS  16           HB1      LYS  16  11.884  -0.251  -1.402
  114    HG2  LYS  16           HG2      LYS  16  11.083  -1.619  -3.189
  115    HG3  LYS  16           HG1      LYS  16   9.718  -0.728  -2.508
  116    HD2  LYS  16           HD2      LYS  16   9.928   0.923  -4.327
  117    HD3  LYS  16           HD1      LYS  16  11.238  -0.034  -5.021
  118    HE2  LYS  16           HE2      LYS  16   9.668  -1.938  -5.217
  119    HE3  LYS  16           HE1      LYS  16   8.376  -0.890  -4.639
  120    HZ1  LYS  16           HZ1      LYS  16   8.749   0.549  -6.552
  121    HZ2  LYS  16           HZ2      LYS  16   8.363  -1.026  -7.035
  122    HZ3  LYS  16           HZ3      LYS  16   9.965  -0.487  -7.112
  123    H    LEU  17           HN       LEU  17  11.350   1.366   0.527
  124    HA   LEU  17           HA       LEU  17   8.829   0.445   1.319
  125    HB2  LEU  17           HB2      LEU  17  11.022   1.828   2.834
  126    HB3  LEU  17           HB1      LEU  17   9.567   1.244   3.610
  127    HG   LEU  17           HG       LEU  17  11.545  -0.472   2.110
  128   HD11  LEU  17          HD11      LEU  17  11.068  -0.144   5.064
  129   HD12  LEU  17          HD12      LEU  17  12.489   0.396   4.171
  130   HD13  LEU  17          HD13      LEU  17  12.143  -1.327   4.323
  131   HD21  LEU  17          HD21      LEU  17   9.100  -1.170   3.729
  132   HD22  LEU  17          HD22      LEU  17  10.280  -2.333   3.124
  133   HD23  LEU  17          HD23      LEU  17   9.314  -1.388   1.992
  134    H    ALA  18           HN       ALA  18  10.154   3.708   1.097
  135    HA   ALA  18           HA       ALA  18   7.973   5.058   2.233
  136    HB1  ALA  18           HB1      ALA  18  10.132   6.122   1.835
  137    HB2  ALA  18           HB2      ALA  18   8.822   7.033   1.085
  138    HB3  ALA  18           HB3      ALA  18   9.866   6.013   0.096
  139    H    LYS  19           HN       LYS  19   8.669   4.032  -1.069
  140    HA   LYS  19           HA       LYS  19   6.369   5.120  -2.277
  141    HB2  LYS  19           HB2      LYS  19   8.298   4.323  -3.571
  142    HB3  LYS  19           HB1      LYS  19   7.979   2.676  -3.050
  143    HG2  LYS  19           HG2      LYS  19   7.203   3.028  -5.316
  144    HG3  LYS  19           HG1      LYS  19   5.843   2.712  -4.238
  145    HD2  LYS  19           HD2      LYS  19   5.403   5.129  -4.120
  146    HD3  LYS  19           HD1      LYS  19   6.740   5.418  -5.235
  147    HE2  LYS  19           HE2      LYS  19   5.602   4.111  -6.948
  148    HE3  LYS  19           HE1      LYS  19   4.277   3.782  -5.832
  149    HZ1  LYS  19           HZ1      LYS  19   5.066   6.437  -6.893
  150    HZ2  LYS  19           HZ2      LYS  19   3.858   6.187  -5.743
  151    HZ3  LYS  19           HZ3      LYS  19   3.678   5.564  -7.303
  152    H    TYR  20           HN       TYR  20   7.021   2.024  -0.728
  153    HA   TYR  20           HA       TYR  20   4.511   0.839  -1.168
  154    HB2  TYR  20           HB2      TYR  20   6.333  -0.531  -0.407
  155    HB3  TYR  20           HB1      TYR  20   6.550   0.458   1.034
  156    HD1  TYR  20           HD1      TYR  20   4.237  -1.923  -0.617
  157    HD2  TYR  20           HD2      TYR  20   5.345  -0.014   3.018
  158    HE1  TYR  20           HE1      TYR  20   2.759  -3.440   0.622
  159    HE2  TYR  20           HE2      TYR  20   3.863  -1.528   4.269
  160    HH   TYR  20           HH       TYR  20   2.555  -4.339   2.924
  161    H    GLN  21           HN       GLN  21   5.735   2.839   1.498
  162    HA   GLN  21           HA       GLN  21   3.412   2.759   3.081
  163    HB2  GLN  21           HB2      GLN  21   5.580   4.849   2.857
  164    HB3  GLN  21           HB1      GLN  21   4.313   4.891   4.072
  165    HG2  GLN  21           HG2      GLN  21   5.091   2.841   5.043
  166    HG3  GLN  21           HG1      GLN  21   6.255   2.619   3.737
  167   HE21  GLN  21          HE21      GLN  21   7.966   2.526   5.206
  168   HE22  GLN  21          HE22      GLN  21   8.570   3.941   5.990
  169    H    ALA  22           HN       ALA  22   4.396   4.903   0.468
  170    HA   ALA  22           HA       ALA  22   2.279   6.737   0.672
  171    HB1  ALA  22           HB1      ALA  22   4.306   7.163  -0.632
  172    HB2  ALA  22           HB2      ALA  22   2.856   7.371  -1.614
  173    HB3  ALA  22           HB3      ALA  22   3.832   5.911  -1.779
  174    H    ASP  23           HN       ASP  23   2.641   3.768  -1.223
  175    HA   ASP  23           HA       ASP  23   0.070   4.018  -2.457
  176    HB2  ASP  23           HB2      ASP  23   2.077   2.753  -3.394
  177    HB3  ASP  23           HB1      ASP  23   1.702   1.482  -2.228
  178    H    LEU  24           HN       LEU  24   1.361   2.371   0.352
  179    HA   LEU  24           HA       LEU  24  -0.918   0.852   1.019
  180    HB2  LEU  24           HB2      LEU  24   1.458   0.636   1.917
  181    HB3  LEU  24           HB1      LEU  24   1.101   2.009   2.940
  182    HG   LEU  24           HG       LEU  24   0.942  -0.326   3.968
  183   HD11  LEU  24          HD11      LEU  24  -0.960   0.300   5.358
  184   HD12  LEU  24          HD12      LEU  24  -1.400   1.548   4.191
  185   HD13  LEU  24          HD13      LEU  24   0.118   1.667   5.078
  186   HD21  LEU  24          HD21      LEU  24  -1.161  -1.492   3.673
  187   HD22  LEU  24          HD22      LEU  24  -0.314  -1.354   2.132
  188   HD23  LEU  24          HD23      LEU  24  -1.678  -0.296   2.488
  189    H    ALA  25           HN       ALA  25   0.103   4.139   1.845
  190    HA   ALA  25           HA       ALA  25  -2.022   4.804   3.549
  191    HB1  ALA  25           HB1      ALA  25  -1.468   7.118   3.055
  192    HB2  ALA  25           HB2      ALA  25  -0.521   6.606   1.657
  193    HB3  ALA  25           HB3      ALA  25   0.000   6.168   3.284
  194    H    LYS  26           HN       LYS  26  -1.688   4.941   0.052
  195    HA   LYS  26           HA       LYS  26  -4.201   6.089  -0.531
  196    HB2  LYS  26           HB2      LYS  26  -2.268   5.879  -2.118
  197    HB3  LYS  26           HB1      LYS  26  -2.606   4.160  -2.229
  198    HG2  LYS  26           HG2      LYS  26  -4.833   4.674  -3.131
  199    HG3  LYS  26           HG1      LYS  26  -4.438   6.393  -3.069
  200    HD2  LYS  26           HD2      LYS  26  -2.500   5.936  -4.565
  201    HD3  LYS  26           HD1      LYS  26  -3.061   4.270  -4.712
  202    HE2  LYS  26           HE2      LYS  26  -3.792   5.613  -6.611
  203    HE3  LYS  26           HE1      LYS  26  -5.168   5.057  -5.659
  204    HZ1  LYS  26           HZ1      LYS  26  -3.950   7.759  -5.468
  205    HZ2  LYS  26           HZ2      LYS  26  -5.320   7.223  -4.638
  206    HZ3  LYS  26           HZ3      LYS  26  -5.363   7.391  -6.317
  207    H    TYR  27           HN       TYR  27  -3.087   2.783  -0.110
  208    HA   TYR  27           HA       TYR  27  -5.452   1.434  -0.792
  209    HB2  TYR  27           HB2      TYR  27  -3.367   0.223  -0.569
  210    HB3  TYR  27           HB1      TYR  27  -3.222   0.702   1.113
  211    HD1  TYR  27           HD1      TYR  27  -5.209  -1.368  -1.228
  212    HD2  TYR  27           HD2      TYR  27  -4.205  -0.588   2.831
  213    HE1  TYR  27           HE1      TYR  27  -6.350  -3.433  -0.551
  214    HE2  TYR  27           HE2      TYR  27  -5.345  -2.652   3.516
  215    HH   TYR  27           HH       TYR  27  -7.189  -4.117   2.618
  216    H    GLN  28           HN       GLN  28  -4.299   2.697   2.316
  217    HA   GLN  28           HA       GLN  28  -6.410   1.758   3.895
  218    HB2  GLN  28           HB2      GLN  28  -4.621   4.165   4.213
  219    HB3  GLN  28           HB1      GLN  28  -5.819   3.709   5.413
  220    HG2  GLN  28           HG2      GLN  28  -4.675   1.482   5.583
  221    HG3  GLN  28           HG1      GLN  28  -3.397   2.140   4.555
  222   HE21  GLN  28          HE21      GLN  28  -1.847   1.955   6.174
  223   HE22  GLN  28          HE22      GLN  28  -1.821   2.995   7.553
  224    H    LYS  29           HN       LYS  29  -6.109   4.630   1.902
  225    HA   LYS  29           HA       LYS  29  -8.339   6.020   2.857
  226    HB2  LYS  29           HB2      LYS  29  -6.771   7.193   1.496
  227    HB3  LYS  29           HB1      LYS  29  -6.955   6.049   0.174
  228    HG2  LYS  29           HG2      LYS  29  -9.396   7.492   1.004
  229    HG3  LYS  29           HG1      LYS  29  -8.135   8.453   0.227
  230    HD2  LYS  29           HD2      LYS  29  -8.209   7.152  -1.737
  231    HD3  LYS  29           HD1      LYS  29  -9.114   5.862  -0.943
  232    HE2  LYS  29           HE2      LYS  29 -11.054   7.329  -0.755
  233    HE3  LYS  29           HE1      LYS  29 -10.148   8.637  -1.516
  234    HZ1  LYS  29           HZ1      LYS  29 -10.065   7.455  -3.544
  235    HZ2  LYS  29           HZ2      LYS  29 -11.669   7.366  -3.017
  236    HZ3  LYS  29           HZ3      LYS  29 -10.645   6.027  -2.841
  237    H    ASP  30           HN       ASP  30  -8.077   3.969  -0.042
  238    HA   ASP  30           HA       ASP  30 -10.851   4.016  -0.575
  239    HB2  ASP  30           HB2      ASP  30  -8.704   2.095  -1.490
  240    HB3  ASP  30           HB1      ASP  30 -10.362   2.090  -2.097
  241    H    LEU  31           HN       LEU  31  -8.835   2.001   1.404
  242    HA   LEU  31           HA       LEU  31 -10.662  -0.105   1.856
  243    HB2  LEU  31           HB2      LEU  31  -8.239  -0.190   2.395
  244    HB3  LEU  31           HB1      LEU  31  -8.511   0.955   3.694
  245    HG   LEU  31           HG       LEU  31  -9.953  -0.691   4.831
  246   HD11  LEU  31          HD11      LEU  31 -10.748  -1.964   2.937
  247   HD12  LEU  31          HD12      LEU  31  -9.910  -3.034   4.058
  248   HD13  LEU  31          HD13      LEU  31  -9.110  -2.510   2.577
  249   HD21  LEU  31          HD21      LEU  31  -7.608  -0.520   5.404
  250   HD22  LEU  31          HD22      LEU  31  -7.188  -1.643   4.111
  251   HD23  LEU  31          HD23      LEU  31  -8.133  -2.201   5.492
  252    H    ALA  32           HN       ALA  32  -9.950   2.825   3.738
  253    HA   ALA  32           HA       ALA  32 -11.901   2.419   5.725
  254    HB1  ALA  32           HB1      ALA  32 -10.055   3.981   5.999
  255    HB2  ALA  32           HB2      ALA  32 -11.604   4.796   6.227
  256    HB3  ALA  32           HB3      ALA  32 -10.715   4.996   4.717
  257    H    ASP  33           HN       ASP  33 -11.972   3.944   2.592
  258    HA   ASP  33           HA       ASP  33 -14.522   5.144   2.804
  259    HB2  ASP  33           HB2      ASP  33 -12.871   5.833   1.124
  260    HB3  ASP  33           HB1      ASP  33 -12.991   4.258   0.348
  261    H    TYR  34           HN       TYR  34 -13.425   1.982   1.769
  262    HA   TYR  34           HA       TYR  34 -16.023   1.138   0.858
  263    HB2  TYR  34           HB2      TYR  34 -14.074   0.220  -0.227
  264    HB3  TYR  34           HB1      TYR  34 -13.430  -0.346   1.308
  265    HD1  TYR  34           HD1      TYR  34 -16.600  -0.708  -0.638
  266    HD2  TYR  34           HD2      TYR  34 -13.566  -2.621   1.644
  267    HE1  TYR  34           HE1      TYR  34 -17.707  -2.868  -0.989
  268    HE2  TYR  34           HE2      TYR  34 -14.663  -4.789   1.294
  269    HH   TYR  34           HH       TYR  34 -16.832  -5.695   0.747
  270    HN1  NH2  35           HN1      NH2  35 -14.010   0.628   3.697
  271    HN2  NH2  35           HN2      NH2  35 -15.236  -0.110   4.668
  Start of MODEL   17
    1    H1   ACE   0           HA1      ACE   0 -14.240  -0.151  -4.076
    2    H2   ACE   0           HA2      ACE   0 -13.519   1.047  -5.151
    3    H3   ACE   0           HA3      ACE   0 -12.584   0.461  -3.778
    4    HA   PRO   1           HA       PRO   1 -12.713  -2.218  -2.854
    5    HB2  PRO   1           HB2      PRO   1 -12.000  -4.795  -4.154
    6    HB3  PRO   1           HB1      PRO   1 -13.021  -4.492  -2.737
    7    HG2  PRO   1           HG2      PRO   1 -14.070  -5.200  -5.072
    8    HG3  PRO   1           HG1      PRO   1 -14.883  -4.057  -3.985
    9    HD2  PRO   1           HD2      PRO   1 -13.405  -3.518  -6.514
   10    HD3  PRO   1           HD1      PRO   1 -14.819  -2.689  -5.833
   11    HA   PRO   2           HA       PRO   2  -8.421  -1.235  -3.708
   12    HB2  PRO   2           HB2      PRO   2  -7.611  -1.077  -1.106
   13    HB3  PRO   2           HB1      PRO   2  -8.515   0.217  -1.921
   14    HG2  PRO   2           HG2      PRO   2  -9.510  -1.911  -0.087
   15    HG3  PRO   2           HG1      PRO   2  -9.908  -0.180  -0.125
   16    HD2  PRO   2           HD2      PRO   2 -11.555  -2.022  -1.188
   17    HD3  PRO   2           HD1      PRO   2 -11.362  -0.414  -1.915
   18    H    THR   3           HN       THR   3  -6.763  -2.549  -4.127
   19    HA   THR   3           HA       THR   3  -6.672  -5.168  -2.812
   20    HB   THR   3           HB       THR   3  -5.184  -4.258  -5.279
   21    HG1  THR   3           HG1      THR   3  -7.753  -5.406  -4.925
   22   HG21  THR   3          HG21      THR   3  -4.211  -6.199  -4.153
   23   HG22  THR   3          HG22      THR   3  -4.935  -6.658  -5.694
   24   HG23  THR   3          HG23      THR   3  -5.778  -7.007  -4.186
   25    H    LYS   4           HN       LYS   4  -4.901  -5.826  -1.665
   26    HA   LYS   4           HA       LYS   4  -3.301  -3.883  -0.434
   27    HB2  LYS   4           HB2      LYS   4  -2.919  -6.876  -0.642
   28    HB3  LYS   4           HB1      LYS   4  -1.977  -5.829   0.417
   29    HG2  LYS   4           HG2      LYS   4  -3.963  -5.235   1.656
   30    HG3  LYS   4           HG1      LYS   4  -4.966  -6.170   0.547
   31    HD2  LYS   4           HD2      LYS   4  -4.586  -7.441   2.565
   32    HD3  LYS   4           HD1      LYS   4  -3.748  -8.212   1.217
   33    HE2  LYS   4           HE2      LYS   4  -1.661  -7.066   1.948
   34    HE3  LYS   4           HE1      LYS   4  -2.532  -6.472   3.360
   35    HZ1  LYS   4           HZ1      LYS   4  -2.956  -8.796   3.977
   36    HZ2  LYS   4           HZ2      LYS   4  -1.307  -8.439   3.925
   37    HZ3  LYS   4           HZ3      LYS   4  -2.021  -9.312   2.669
   38    HA   PRO   5           HA       PRO   5  -0.274  -2.949  -3.506
   39    HB2  PRO   5           HB2      PRO   5   1.823  -2.442  -1.728
   40    HB3  PRO   5           HB1      PRO   5   0.627  -1.258  -2.292
   41    HG2  PRO   5           HG2      PRO   5   0.721  -2.783   0.250
   42    HG3  PRO   5           HG1      PRO   5   0.153  -1.128  -0.070
   43    HD2  PRO   5           HD2      PRO   5  -1.572  -3.150   0.329
   44    HD3  PRO   5           HD1      PRO   5  -1.919  -1.839  -0.827
   45    H    THR   6           HN       THR   6   0.940  -4.196  -4.694
   46    HA   THR   6           HA       THR   6   1.957  -6.701  -3.716
   47    HB   THR   6           HB       THR   6   2.389  -5.432  -6.419
   48    HG1  THR   6           HG1      THR   6   0.095  -5.941  -5.421
   49   HG21  THR   6          HG21      THR   6   2.622  -7.743  -7.191
   50   HG22  THR   6          HG22      THR   6   2.392  -8.320  -5.541
   51   HG23  THR   6          HG23      THR   6   3.817  -7.367  -5.951
   52    H    LYS   7           HN       LYS   7   3.095  -3.522  -4.029
   53    HA   LYS   7           HA       LYS   7   5.818  -3.864  -4.543
   54    HB2  LYS   7           HB2      LYS   7   4.676  -1.753  -2.715
   55    HB3  LYS   7           HB1      LYS   7   6.123  -1.642  -3.700
   56    HG2  LYS   7           HG2      LYS   7   4.731  -1.689  -5.727
   57    HG3  LYS   7           HG1      LYS   7   3.288  -1.771  -4.710
   58    HD2  LYS   7           HD2      LYS   7   4.039   0.392  -3.654
   59    HD3  LYS   7           HD1      LYS   7   5.275   0.491  -4.909
   60    HE2  LYS   7           HE2      LYS   7   2.287   0.408  -5.335
   61    HE3  LYS   7           HE1      LYS   7   3.328   1.818  -5.514
   62    HZ1  LYS   7           HZ1      LYS   7   4.460   0.712  -7.336
   63    HZ2  LYS   7           HZ2      LYS   7   2.803   0.820  -7.646
   64    HZ3  LYS   7           HZ3      LYS   7   3.476  -0.653  -7.158
   65    HA   PRO   8           HA       PRO   8   7.387  -5.764  -0.873
   66    HB2  PRO   8           HB2      PRO   8   9.912  -4.724  -0.848
   67    HB3  PRO   8           HB1      PRO   8   9.399  -6.012  -1.955
   68    HG2  PRO   8           HG2      PRO   8   9.681  -3.097  -2.454
   69    HG3  PRO   8           HG1      PRO   8  10.123  -4.469  -3.492
   70    HD2  PRO   8           HD2      PRO   8   7.859  -3.033  -3.882
   71    HD3  PRO   8           HD1      PRO   8   7.961  -4.771  -4.243
   72    H    GLY   9           HN       GLY   9   7.536  -5.346   1.270
   73    HA2  GLY   9           HA2      GLY   9   7.967  -2.603   2.171
   74    HA3  GLY   9           HA1      GLY   9   6.424  -3.345   2.558
   75    H    ASP  10           HN       ASP  10   9.424  -5.122   2.441
   76    HA   ASP  10           HA       ASP  10   9.286  -5.395   5.367
   77    HB2  ASP  10           HB2      ASP  10   9.928  -7.515   3.317
   78    HB3  ASP  10           HB1      ASP  10  10.197  -7.716   5.044
   79    H    ASN  11           HN       ASN  11  11.628  -6.540   2.974
   80    HA   ASN  11           HA       ASN  11  13.730  -5.323   4.621
   81    HB2  ASN  11           HB2      ASN  11  15.258  -6.952   3.612
   82    HB3  ASN  11           HB1      ASN  11  13.883  -7.757   4.356
   83   HD21  ASN  11          HD21      ASN  11  12.360  -8.779   3.043
   84   HD22  ASN  11          HD22      ASN  11  12.679  -9.144   1.385
   85    H    ALA  12           HN       ALA  12  12.031  -4.317   2.200
   86    HA   ALA  12           HA       ALA  12  13.888  -3.693   0.157
   87    HB1  ALA  12           HB1      ALA  12  12.192  -2.215  -0.697
   88    HB2  ALA  12           HB2      ALA  12  11.328  -2.262   0.841
   89    HB3  ALA  12           HB3      ALA  12  11.440  -3.715  -0.151
   90    H    THR  13           HN       THR  13  14.491  -1.447  -0.429
   91    HA   THR  13           HA       THR  13  15.918  -0.193   1.676
   92    HB   THR  13           HB       THR  13  16.378   1.560  -0.063
   93    HG1  THR  13           HG1      THR  13  15.594   0.305  -2.229
   94   HG21  THR  13          HG21      THR  13  16.834  -1.316  -0.841
   95   HG22  THR  13          HG22      THR  13  17.855  -0.347   0.222
   96   HG23  THR  13          HG23      THR  13  17.719   0.067  -1.488
   97    HA   PRO  14           HA       PRO  14  13.083   2.704   3.397
   98    HB2  PRO  14           HB2      PRO  14  14.643   5.012   3.337
   99    HB3  PRO  14           HB1      PRO  14  14.701   3.778   4.606
  100    HG2  PRO  14           HG2      PRO  14  16.486   4.176   2.277
  101    HG3  PRO  14           HG1      PRO  14  16.873   3.667   3.940
  102    HD2  PRO  14           HD2      PRO  14  16.784   1.882   1.948
  103    HD3  PRO  14           HD1      PRO  14  16.207   1.472   3.575
  104    H    GLU  15           HN       GLU  15  14.810   3.682   0.488
  105    HA   GLU  15           HA       GLU  15  13.051   5.751  -0.288
  106    HB2  GLU  15           HB2      GLU  15  15.315   5.544  -1.194
  107    HB3  GLU  15           HB1      GLU  15  14.885   4.020  -1.958
  108    HG2  GLU  15           HG2      GLU  15  13.234   5.209  -3.352
  109    HG3  GLU  15           HG1      GLU  15  13.735   6.726  -2.610
  110    H    LYS  16           HN       LYS  16  13.230   2.312  -1.077
  111    HA   LYS  16           HA       LYS  16  11.032   2.400  -2.907
  112    HB2  LYS  16           HB2      LYS  16  12.995   0.761  -2.924
  113    HB3  LYS  16           HB1      LYS  16  12.190  -0.053  -1.589
  114    HG2  LYS  16           HG2      LYS  16  10.278  -0.536  -2.988
  115    HG3  LYS  16           HG1      LYS  16  10.995   0.376  -4.320
  116    HD2  LYS  16           HD2      LYS  16  12.912  -1.204  -4.299
  117    HD3  LYS  16           HD1      LYS  16  12.075  -2.148  -3.066
  118    HE2  LYS  16           HE2      LYS  16  11.711  -3.158  -5.221
  119    HE3  LYS  16           HE1      LYS  16  10.198  -2.472  -4.638
  120    HZ1  LYS  16           HZ1      LYS  16  10.567  -0.554  -6.072
  121    HZ2  LYS  16           HZ2      LYS  16  10.530  -1.987  -6.967
  122    HZ3  LYS  16           HZ3      LYS  16  12.008  -1.237  -6.640
  123    H    LEU  17           HN       LEU  17  11.499   1.554   0.474
  124    HA   LEU  17           HA       LEU  17   8.964   0.510   1.021
  125    HB2  LEU  17           HB2      LEU  17  10.896   2.025   2.755
  126    HB3  LEU  17           HB1      LEU  17   9.416   1.329   3.373
  127    HG   LEU  17           HG       LEU  17  11.728  -0.177   2.156
  128   HD11  LEU  17          HD11      LEU  17  12.155   0.683   4.404
  129   HD12  LEU  17          HD12      LEU  17  12.025  -1.074   4.392
  130   HD13  LEU  17          HD13      LEU  17  10.682  -0.095   4.980
  131   HD21  LEU  17          HD21      LEU  17   9.697  -1.298   1.572
  132   HD22  LEU  17          HD22      LEU  17   9.076  -1.133   3.214
  133   HD23  LEU  17          HD23      LEU  17  10.456  -2.182   2.895
  134    H    ALA  18           HN       ALA  18  10.102   3.823   0.811
  135    HA   ALA  18           HA       ALA  18   7.859   5.094   1.901
  136    HB1  ALA  18           HB1      ALA  18   9.692   6.116  -0.257
  137    HB2  ALA  18           HB2      ALA  18  10.001   6.216   1.476
  138    HB3  ALA  18           HB3      ALA  18   8.640   7.089   0.771
  139    H    LYS  19           HN       LYS  19   8.539   3.869  -1.309
  140    HA   LYS  19           HA       LYS  19   6.223   4.955  -2.556
  141    HB2  LYS  19           HB2      LYS  19   8.264   4.162  -3.766
  142    HB3  LYS  19           HB1      LYS  19   7.811   2.513  -3.367
  143    HG2  LYS  19           HG2      LYS  19   5.733   2.781  -4.631
  144    HG3  LYS  19           HG1      LYS  19   6.200   4.433  -5.038
  145    HD2  LYS  19           HD2      LYS  19   7.720   1.937  -5.791
  146    HD3  LYS  19           HD1      LYS  19   6.679   2.868  -6.867
  147    HE2  LYS  19           HE2      LYS  19   9.195   3.862  -5.529
  148    HE3  LYS  19           HE1      LYS  19   9.032   3.408  -7.223
  149    HZ1  LYS  19           HZ1      LYS  19   7.424   5.200  -7.500
  150    HZ2  LYS  19           HZ2      LYS  19   8.908   5.791  -6.953
  151    HZ3  LYS  19           HZ3      LYS  19   7.613   5.646  -5.880
  152    H    TYR  20           HN       TYR  20   6.992   1.915  -0.956
  153    HA   TYR  20           HA       TYR  20   4.538   0.610  -1.387
  154    HB2  TYR  20           HB2      TYR  20   6.445  -0.626  -0.561
  155    HB3  TYR  20           HB1      TYR  20   6.536   0.386   0.878
  156    HD1  TYR  20           HD1      TYR  20   4.261  -2.012  -0.867
  157    HD2  TYR  20           HD2      TYR  20   5.474  -0.292   2.827
  158    HE1  TYR  20           HE1      TYR  20   2.822  -3.601   0.339
  159    HE2  TYR  20           HE2      TYR  20   4.044  -1.875   4.041
  160    HH   TYR  20           HH       TYR  20   1.999  -3.227   3.582
  161    H    GLN  21           HN       GLN  21   5.666   2.692   1.245
  162    HA   GLN  21           HA       GLN  21   3.318   2.569   2.790
  163    HB2  GLN  21           HB2      GLN  21   5.454   4.695   2.633
  164    HB3  GLN  21           HB1      GLN  21   4.191   4.651   3.855
  165    HG2  GLN  21           HG2      GLN  21   5.015   2.513   4.660
  166    HG3  GLN  21           HG1      GLN  21   6.253   2.507   3.406
  167   HE21  GLN  21          HE21      GLN  21   7.904   2.396   4.924
  168   HE22  GLN  21          HE22      GLN  21   8.356   3.759   5.890
  169    H    ALA  22           HN       ALA  22   4.248   4.592   0.091
  170    HA   ALA  22           HA       ALA  22   2.174   6.485   0.305
  171    HB1  ALA  22           HB1      ALA  22   4.160   6.824  -1.085
  172    HB2  ALA  22           HB2      ALA  22   2.677   7.021  -2.020
  173    HB3  ALA  22           HB3      ALA  22   3.622   5.538  -2.164
  174    H    ASP  23           HN       ASP  23   2.405   3.374  -1.356
  175    HA   ASP  23           HA       ASP  23  -0.229   3.569  -2.489
  176    HB2  ASP  23           HB2      ASP  23   1.686   2.183  -3.441
  177    HB3  ASP  23           HB1      ASP  23   1.390   1.037  -2.132
  178    H    LEU  24           HN       LEU  24   1.242   2.080   0.320
  179    HA   LEU  24           HA       LEU  24  -0.979   0.639   1.263
  180    HB2  LEU  24           HB2      LEU  24   1.458   0.506   2.007
  181    HB3  LEU  24           HB1      LEU  24   1.154   1.948   2.947
  182    HG   LEU  24           HG       LEU  24   1.105  -0.280   4.173
  183   HD11  LEU  24          HD11      LEU  24  -0.749   0.400   5.612
  184   HD12  LEU  24          HD12      LEU  24  -1.284   1.540   4.377
  185   HD13  LEU  24          HD13      LEU  24   0.274   1.768   5.169
  186   HD21  LEU  24          HD21      LEU  24  -0.215  -1.485   2.482
  187   HD22  LEU  24          HD22      LEU  24  -1.601  -0.465   2.864
  188   HD23  LEU  24          HD23      LEU  24  -0.944  -1.552   4.085
  189    H    ALA  25           HN       ALA  25   0.107   3.962   1.827
  190    HA   ALA  25           HA       ALA  25  -1.887   4.733   3.631
  191    HB1  ALA  25           HB1      ALA  25   0.120   6.058   3.174
  192    HB2  ALA  25           HB2      ALA  25  -1.350   7.014   2.983
  193    HB3  ALA  25           HB3      ALA  25  -0.493   6.419   1.560
  194    H    LYS  26           HN       LYS  26  -1.784   4.823   0.095
  195    HA   LYS  26           HA       LYS  26  -4.343   5.944  -0.281
  196    HB2  LYS  26           HB2      LYS  26  -2.614   5.785  -2.061
  197    HB3  LYS  26           HB1      LYS  26  -2.868   4.048  -2.115
  198    HG2  LYS  26           HG2      LYS  26  -5.213   4.428  -2.737
  199    HG3  LYS  26           HG1      LYS  26  -4.905   6.164  -2.757
  200    HD2  LYS  26           HD2      LYS  26  -3.282   5.877  -4.540
  201    HD3  LYS  26           HD1      LYS  26  -3.511   4.125  -4.489
  202    HE2  LYS  26           HE2      LYS  26  -5.605   6.181  -5.188
  203    HE3  LYS  26           HE1      LYS  26  -4.780   5.109  -6.319
  204    HZ1  LYS  26           HZ1      LYS  26  -6.970   4.279  -5.738
  205    HZ2  LYS  26           HZ2      LYS  26  -6.560   4.234  -4.097
  206    HZ3  LYS  26           HZ3      LYS  26  -5.772   3.216  -5.202
  207    H    TYR  27           HN       TYR  27  -3.195   2.634   0.048
  208    HA   TYR  27           HA       TYR  27  -5.589   1.290  -0.508
  209    HB2  TYR  27           HB2      TYR  27  -3.524   0.044  -0.359
  210    HB3  TYR  27           HB1      TYR  27  -3.280   0.560   1.302
  211    HD1  TYR  27           HD1      TYR  27  -5.397  -1.552  -0.883
  212    HD2  TYR  27           HD2      TYR  27  -4.232  -0.645   3.106
  213    HE1  TYR  27           HE1      TYR  27  -6.537  -3.579  -0.095
  214    HE2  TYR  27           HE2      TYR  27  -5.367  -2.672   3.900
  215    HH   TYR  27           HH       TYR  27  -6.471  -5.114   1.790
  216    H    GLN  28           HN       GLN  28  -4.310   2.616   2.508
  217    HA   GLN  28           HA       GLN  28  -6.393   1.761   4.188
  218    HB2  GLN  28           HB2      GLN  28  -4.585   4.179   4.394
  219    HB3  GLN  28           HB1      GLN  28  -5.661   3.641   5.674
  220    HG2  GLN  28           HG2      GLN  28  -4.449   1.526   5.819
  221    HG3  GLN  28           HG1      GLN  28  -3.375   2.048   4.522
  222   HE21  GLN  28          HE21      GLN  28  -3.330   4.818   5.529
  223   HE22  GLN  28          HE22      GLN  28  -2.286   4.784   6.904
  224    H    LYS  29           HN       LYS  29  -5.952   4.709   2.294
  225    HA   LYS  29           HA       LYS  29  -8.254   6.056   3.165
  226    HB2  LYS  29           HB2      LYS  29  -6.442   7.192   1.992
  227    HB3  LYS  29           HB1      LYS  29  -6.769   6.258   0.539
  228    HG2  LYS  29           HG2      LYS  29  -7.648   8.516   0.357
  229    HG3  LYS  29           HG1      LYS  29  -8.944   7.321   0.328
  230    HD2  LYS  29           HD2      LYS  29  -9.390   7.760   2.700
  231    HD3  LYS  29           HD1      LYS  29  -8.106   8.972   2.709
  232    HE2  LYS  29           HE2      LYS  29 -10.274  10.038   2.480
  233    HE3  LYS  29           HE1      LYS  29  -9.320  10.259   1.015
  234    HZ1  LYS  29           HZ1      LYS  29 -11.507   8.286   1.398
  235    HZ2  LYS  29           HZ2      LYS  29 -10.562   8.427   0.004
  236    HZ3  LYS  29           HZ3      LYS  29 -11.581   9.694   0.463
  237    H    ASP  30           HN       ASP  30  -7.713   4.065   0.259
  238    HA   ASP  30           HA       ASP  30 -10.381   4.151  -0.652
  239    HB2  ASP  30           HB2      ASP  30  -8.074   2.303  -1.174
  240    HB3  ASP  30           HB1      ASP  30  -9.678   1.911  -1.790
  241    H    LEU  31           HN       LEU  31  -8.703   2.001   1.552
  242    HA   LEU  31           HA       LEU  31 -10.691   0.019   1.781
  243    HB2  LEU  31           HB2      LEU  31  -8.306  -0.154   2.544
  244    HB3  LEU  31           HB1      LEU  31  -8.712   0.892   3.888
  245    HG   LEU  31           HG       LEU  31 -10.326  -0.821   4.685
  246   HD11  LEU  31          HD11      LEU  31 -10.099  -3.109   3.770
  247   HD12  LEU  31          HD12      LEU  31  -9.124  -2.457   2.455
  248   HD13  LEU  31          HD13      LEU  31 -10.812  -1.976   2.626
  249   HD21  LEU  31          HD21      LEU  31  -8.602  -2.352   5.519
  250   HD22  LEU  31          HD22      LEU  31  -8.091  -0.666   5.612
  251   HD23  LEU  31          HD23      LEU  31  -7.467  -1.706   4.332
  252    H    ALA  32           HN       ALA  32 -10.058   2.940   3.665
  253    HA   ALA  32           HA       ALA  32 -12.132   2.621   5.534
  254    HB1  ALA  32           HB1      ALA  32 -10.240   4.181   5.796
  255    HB2  ALA  32           HB2      ALA  32 -11.803   4.958   6.041
  256    HB3  ALA  32           HB3      ALA  32 -10.931   5.192   4.526
  257    H    ASP  33           HN       ASP  33 -11.970   4.283   2.426
  258    HA   ASP  33           HA       ASP  33 -14.595   5.330   2.485
  259    HB2  ASP  33           HB2      ASP  33 -12.872   6.208   0.972
  260    HB3  ASP  33           HB1      ASP  33 -12.840   4.675   0.105
  261    H    TYR  34           HN       TYR  34 -13.237   2.300   1.389
  262    HA   TYR  34           HA       TYR  34 -15.521   1.312   0.051
  263    HB2  TYR  34           HB2      TYR  34 -13.226   0.403  -0.225
  264    HB3  TYR  34           HB1      TYR  34 -13.310  -0.240   1.411
  265    HD1  TYR  34           HD1      TYR  34 -14.809  -0.479  -1.960
  266    HD2  TYR  34           HD2      TYR  34 -14.347  -2.316   1.846
  267    HE1  TYR  34           HE1      TYR  34 -15.818  -2.534  -2.838
  268    HE2  TYR  34           HE2      TYR  34 -15.357  -4.379   0.983
  269    HH   TYR  34           HH       TYR  34 -16.877  -5.067  -0.827
  270    HN1  NH2  35           HN1      NH2  35 -14.284   0.768   3.325
  271    HN2  NH2  35           HN2      NH2  35 -15.780   0.212   3.994
  Start of MODEL   18
    1    H1   ACE   0           HA1      ACE   0 -15.017  -2.242  -4.055
    2    H2   ACE   0           HA2      ACE   0 -13.682  -1.882  -2.964
    3    H3   ACE   0           HA3      ACE   0 -15.031  -2.851  -2.374
    4    HA   PRO   1           HA       PRO   1 -12.639  -3.626  -1.068
    5    HB2  PRO   1           HB2      PRO   1 -11.092  -5.944  -0.833
    6    HB3  PRO   1           HB1      PRO   1 -12.620  -5.645   0.013
    7    HG2  PRO   1           HG2      PRO   1 -12.107  -7.213  -2.453
    8    HG3  PRO   1           HG1      PRO   1 -13.241  -7.526  -1.123
    9    HD2  PRO   1           HD2      PRO   1 -14.105  -6.552  -3.469
   10    HD3  PRO   1           HD1      PRO   1 -14.813  -6.015  -1.929
   11    HA   PRO   2           HA       PRO   2  -9.161  -2.142  -3.412
   12    HB2  PRO   2           HB2      PRO   2  -7.564  -1.484  -1.246
   13    HB3  PRO   2           HB1      PRO   2  -8.831  -0.441  -1.924
   14    HG2  PRO   2           HG2      PRO   2  -8.918  -2.214   0.458
   15    HG3  PRO   2           HG1      PRO   2  -9.637  -0.610   0.212
   16    HD2  PRO   2           HD2      PRO   2 -11.121  -2.847   0.092
   17    HD3  PRO   2           HD1      PRO   2 -11.451  -1.451  -0.956
   18    H    THR   3           HN       THR   3  -7.663  -3.377  -4.356
   19    HA   THR   3           HA       THR   3  -6.686  -5.776  -3.232
   20    HB   THR   3           HB       THR   3  -5.486  -4.215  -5.522
   21    HG1  THR   3           HG1      THR   3  -7.005  -5.130  -6.807
   22   HG21  THR   3          HG21      THR   3  -5.464  -7.164  -4.872
   23   HG22  THR   3          HG22      THR   3  -4.104  -6.059  -4.678
   24   HG23  THR   3          HG23      THR   3  -4.730  -6.409  -6.289
   25    H    LYS   4           HN       LYS   4  -5.053  -6.121  -1.903
   26    HA   LYS   4           HA       LYS   4  -3.684  -4.016  -0.636
   27    HB2  LYS   4           HB2      LYS   4  -3.069  -6.976  -0.707
   28    HB3  LYS   4           HB1      LYS   4  -2.326  -5.825   0.402
   29    HG2  LYS   4           HG2      LYS   4  -4.509  -5.349   1.377
   30    HG3  LYS   4           HG1      LYS   4  -5.262  -6.481   0.256
   31    HD2  LYS   4           HD2      LYS   4  -3.162  -7.191   2.303
   32    HD3  LYS   4           HD1      LYS   4  -4.896  -7.447   2.499
   33    HE2  LYS   4           HE2      LYS   4  -4.888  -8.935   0.551
   34    HE3  LYS   4           HE1      LYS   4  -3.156  -8.680   0.362
   35    HZ1  LYS   4           HZ1      LYS   4  -4.510  -9.979   2.662
   36    HZ2  LYS   4           HZ2      LYS   4  -2.858  -9.636   2.598
   37    HZ3  LYS   4           HZ3      LYS   4  -3.533 -10.734   1.506
   38    HA   PRO   5           HA       PRO   5  -0.349  -3.223  -3.434
   39    HB2  PRO   5           HB2      PRO   5   1.575  -2.468  -1.614
   40    HB3  PRO   5           HB1      PRO   5   0.285  -1.401  -2.204
   41    HG2  PRO   5           HG2      PRO   5   0.461  -2.918   0.348
   42    HG3  PRO   5           HG1      PRO   5  -0.178  -1.288   0.029
   43    HD2  PRO   5           HD2      PRO   5  -1.800  -3.423   0.381
   44    HD3  PRO   5           HD1      PRO   5  -2.215  -2.078  -0.711
   45    H    THR   6           HN       THR   6   0.481  -4.949  -4.361
   46    HA   THR   6           HA       THR   6   1.718  -7.086  -2.896
   47    HB   THR   6           HB       THR   6   1.761  -6.696  -5.879
   48    HG1  THR   6           HG1      THR   6  -0.353  -7.349  -4.144
   49   HG21  THR   6          HG21      THR   6   1.716  -9.156  -4.128
   50   HG22  THR   6          HG22      THR   6   3.109  -8.540  -5.020
   51   HG23  THR   6          HG23      THR   6   1.704  -9.156  -5.891
   52    H    LYS   7           HN       LYS   7   2.696  -4.107  -3.924
   53    HA   LYS   7           HA       LYS   7   5.304  -4.403  -4.834
   54    HB2  LYS   7           HB2      LYS   7   4.237  -2.262  -2.985
   55    HB3  LYS   7           HB1      LYS   7   5.664  -2.132  -3.999
   56    HG2  LYS   7           HG2      LYS   7   4.305  -2.226  -5.994
   57    HG3  LYS   7           HG1      LYS   7   2.852  -2.488  -5.021
   58    HD2  LYS   7           HD2      LYS   7   3.237  -0.282  -3.942
   59    HD3  LYS   7           HD1      LYS   7   4.603  -0.024  -5.029
   60    HE2  LYS   7           HE2      LYS   7   2.654   1.121  -5.882
   61    HE3  LYS   7           HE1      LYS   7   3.071  -0.215  -6.953
   62    HZ1  LYS   7           HZ1      LYS   7   0.928  -0.260  -4.886
   63    HZ2  LYS   7           HZ2      LYS   7   1.317  -1.533  -5.937
   64    HZ3  LYS   7           HZ3      LYS   7   0.690  -0.092  -6.555
   65    HA   PRO   8           HA       PRO   8   7.648  -6.143  -1.542
   66    HB2  PRO   8           HB2      PRO   8   9.886  -4.502  -1.605
   67    HB3  PRO   8           HB1      PRO   8   9.625  -5.906  -2.654
   68    HG2  PRO   8           HG2      PRO   8   9.200  -3.025  -3.218
   69    HG3  PRO   8           HG1      PRO   8   9.831  -4.302  -4.278
   70    HD2  PRO   8           HD2      PRO   8   7.310  -3.406  -4.529
   71    HD3  PRO   8           HD1      PRO   8   7.709  -5.126  -4.769
   72    H    GLY   9           HN       GLY   9   7.230  -5.914   0.520
   73    HA2  GLY   9           HA2      GLY   9   7.395  -3.233   1.725
   74    HA3  GLY   9           HA1      GLY   9   6.003  -4.265   2.012
   75    H    ASP  10           HN       ASP  10   7.926  -6.628   1.995
   76    HA   ASP  10           HA       ASP  10   8.422  -6.563   4.840
   77    HB2  ASP  10           HB2      ASP  10   8.940  -8.722   2.789
   78    HB3  ASP  10           HB1      ASP  10   9.188  -8.913   4.518
   79    H    ASN  11           HN       ASN  11  10.339  -6.879   1.889
   80    HA   ASN  11           HA       ASN  11  12.618  -5.778   3.343
   81    HB2  ASN  11           HB2      ASN  11  12.984  -8.185   3.359
   82    HB3  ASN  11           HB1      ASN  11  12.749  -8.256   1.616
   83   HD21  ASN  11          HD21      ASN  11  14.410  -7.652   0.262
   84   HD22  ASN  11          HD22      ASN  11  16.003  -7.289   0.831
   85    H    ALA  12           HN       ALA  12  13.183  -4.004   2.323
   86    HA   ALA  12           HA       ALA  12  13.742  -3.904  -0.467
   87    HB1  ALA  12           HB1      ALA  12  11.377  -2.294   0.500
   88    HB2  ALA  12           HB2      ALA  12  11.274  -3.727  -0.522
   89    HB3  ALA  12           HB3      ALA  12  12.074  -2.276  -1.121
   90    H    THR  13           HN       THR  13  14.290  -1.545  -1.071
   91    HA   THR  13           HA       THR  13  16.025  -0.447   0.892
   92    HB   THR  13           HB       THR  13  16.270   1.440  -0.722
   93    HG1  THR  13           HG1      THR  13  15.220   1.087  -2.801
   94   HG21  THR  13          HG21      THR  13  17.713  -0.484  -0.899
   95   HG22  THR  13          HG22      THR  13  17.286   0.079  -2.516
   96   HG23  THR  13          HG23      THR  13  16.497  -1.348  -1.839
   97    HA   PRO  14           HA       PRO  14  13.423   2.169   3.272
   98    HB2  PRO  14           HB2      PRO  14  14.979   4.465   3.380
   99    HB3  PRO  14           HB1      PRO  14  15.213   3.046   4.417
  100    HG2  PRO  14           HG2      PRO  14  16.651   3.839   1.944
  101    HG3  PRO  14           HG1      PRO  14  17.276   3.115   3.448
  102    HD2  PRO  14           HD2      PRO  14  16.919   1.624   1.253
  103    HD3  PRO  14           HD1      PRO  14  16.587   0.973   2.870
  104    H    GLU  15           HN       GLU  15  14.849   3.534   0.362
  105    HA   GLU  15           HA       GLU  15  13.033   5.665   0.031
  106    HB2  GLU  15           HB2      GLU  15  15.177   5.632  -1.111
  107    HB3  GLU  15           HB1      GLU  15  14.717   4.180  -1.989
  108    HG2  GLU  15           HG2      GLU  15  12.985   5.407  -3.165
  109    HG3  GLU  15           HG1      GLU  15  13.362   6.855  -2.236
  110    H    LYS  16           HN       LYS  16  13.115   2.351  -1.203
  111    HA   LYS  16           HA       LYS  16  10.782   2.615  -2.799
  112    HB2  LYS  16           HB2      LYS  16  12.548   0.894  -3.169
  113    HB3  LYS  16           HB1      LYS  16  12.030   0.094  -1.691
  114    HG2  LYS  16           HG2      LYS  16   9.842  -0.328  -2.661
  115    HG3  LYS  16           HG1      LYS  16  10.320   0.518  -4.134
  116    HD2  LYS  16           HD2      LYS  16  11.628  -1.974  -3.044
  117    HD3  LYS  16           HD1      LYS  16  10.473  -1.924  -4.374
  118    HE2  LYS  16           HE2      LYS  16  13.178  -0.590  -4.326
  119    HE3  LYS  16           HE1      LYS  16  12.770  -2.071  -5.188
  120    HZ1  LYS  16           HZ1      LYS  16  11.158  -0.785  -6.491
  121    HZ2  LYS  16           HZ2      LYS  16  12.734  -0.217  -6.690
  122    HZ3  LYS  16           HZ3      LYS  16  11.650   0.628  -5.707
  123    H    LEU  17           HN       LEU  17  11.417   1.421   0.464
  124    HA   LEU  17           HA       LEU  17   8.814   0.567   1.037
  125    HB2  LEU  17           HB2      LEU  17  11.011   1.586   2.810
  126    HB3  LEU  17           HB1      LEU  17   9.486   1.008   3.442
  127    HG   LEU  17           HG       LEU  17  11.504  -0.600   1.882
  128   HD11  LEU  17          HD11      LEU  17  11.774  -1.827   3.961
  129   HD12  LEU  17          HD12      LEU  17  10.600  -0.775   4.751
  130   HD13  LEU  17          HD13      LEU  17  12.139  -0.117   4.195
  131   HD21  LEU  17          HD21      LEU  17   9.301  -1.354   1.293
  132   HD22  LEU  17          HD22      LEU  17   8.805  -1.360   2.985
  133   HD23  LEU  17          HD23      LEU  17  10.014  -2.513   2.416
  134    H    ALA  18           HN       ALA  18  10.309   3.747   1.197
  135    HA   ALA  18           HA       ALA  18   8.224   5.082   2.519
  136    HB1  ALA  18           HB1      ALA  18  10.457   6.042   2.189
  137    HB2  ALA  18           HB2      ALA  18   9.182   7.120   1.622
  138    HB3  ALA  18           HB3      ALA  18  10.126   6.184   0.462
  139    H    LYS  19           HN       LYS  19   8.821   4.391  -0.877
  140    HA   LYS  19           HA       LYS  19   6.546   5.737  -1.899
  141    HB2  LYS  19           HB2      LYS  19   8.494   5.081  -3.274
  142    HB3  LYS  19           HB1      LYS  19   8.079   3.390  -3.045
  143    HG2  LYS  19           HG2      LYS  19   5.973   3.746  -4.236
  144    HG3  LYS  19           HG1      LYS  19   6.398   5.444  -4.472
  145    HD2  LYS  19           HD2      LYS  19   8.390   4.758  -5.727
  146    HD3  LYS  19           HD1      LYS  19   7.944   3.066  -5.504
  147    HE2  LYS  19           HE2      LYS  19   5.868   3.458  -6.743
  148    HE3  LYS  19           HE1      LYS  19   6.322   5.148  -6.966
  149    HZ1  LYS  19           HZ1      LYS  19   8.293   4.392  -8.183
  150    HZ2  LYS  19           HZ2      LYS  19   6.862   3.880  -8.920
  151    HZ3  LYS  19           HZ3      LYS  19   7.783   2.788  -8.020
  152    H    TYR  20           HN       TYR  20   7.174   2.448  -0.816
  153    HA   TYR  20           HA       TYR  20   4.683   1.313  -1.404
  154    HB2  TYR  20           HB2      TYR  20   6.560  -0.073  -0.757
  155    HB3  TYR  20           HB1      TYR  20   6.647   0.710   0.817
  156    HD1  TYR  20           HD1      TYR  20   4.582  -1.534  -1.286
  157    HD2  TYR  20           HD2      TYR  20   5.335  -0.057   2.631
  158    HE1  TYR  20           HE1      TYR  20   3.086  -3.250  -0.356
  159    HE2  TYR  20           HE2      TYR  20   3.843  -1.767   3.572
  160    HH   TYR  20           HH       TYR  20   2.713  -4.418   1.760
  161    H    GLN  21           HN       GLN  21   5.824   3.118   1.409
  162    HA   GLN  21           HA       GLN  21   3.531   2.830   3.003
  163    HB2  GLN  21           HB2      GLN  21   5.598   5.025   2.885
  164    HB3  GLN  21           HB1      GLN  21   4.342   4.945   4.108
  165    HG2  GLN  21           HG2      GLN  21   5.210   2.830   4.905
  166    HG3  GLN  21           HG1      GLN  21   6.430   2.832   3.631
  167   HE21  GLN  21          HE21      GLN  21   8.112   2.760   5.143
  168   HE22  GLN  21          HE22      GLN  21   8.551   4.146   6.081
  169    H    ALA  22           HN       ALA  22   4.349   5.144   0.486
  170    HA   ALA  22           HA       ALA  22   2.123   6.850   0.868
  171    HB1  ALA  22           HB1      ALA  22   4.095   7.591  -0.334
  172    HB2  ALA  22           HB2      ALA  22   2.677   7.704  -1.376
  173    HB3  ALA  22           HB3      ALA  22   3.820   6.374  -1.579
  174    H    ASP  23           HN       ASP  23   2.682   3.956  -1.018
  175    HA   ASP  23           HA       ASP  23   0.152   4.105  -2.380
  176    HB2  ASP  23           HB2      ASP  23   2.155   3.019  -3.384
  177    HB3  ASP  23           HB1      ASP  23   2.055   1.762  -2.148
  178    H    LEU  24           HN       LEU  24   1.464   2.518   0.437
  179    HA   LEU  24           HA       LEU  24  -0.769   0.900   1.063
  180    HB2  LEU  24           HB2      LEU  24   1.532   0.700   2.052
  181    HB3  LEU  24           HB1      LEU  24   1.227   2.170   2.950
  182    HG   LEU  24           HG       LEU  24   0.998  -0.082   4.162
  183   HD11  LEU  24          HD11      LEU  24  -0.841   0.749   5.536
  184   HD12  LEU  24          HD12      LEU  24  -1.237   1.927   4.283
  185   HD13  LEU  24          HD13      LEU  24   0.305   2.029   5.133
  186   HD21  LEU  24          HD21      LEU  24  -0.351  -1.203   2.465
  187   HD22  LEU  24          HD22      LEU  24  -1.641  -0.029   2.716
  188   HD23  LEU  24          HD23      LEU  24  -1.191  -1.133   4.012
  189    H    ALA  25           HN       ALA  25   0.066   4.252   1.767
  190    HA   ALA  25           HA       ALA  25  -2.110   4.895   3.410
  191    HB1  ALA  25           HB1      ALA  25  -1.690   7.203   2.768
  192    HB2  ALA  25           HB2      ALA  25  -0.692   6.656   1.420
  193    HB3  ALA  25           HB3      ALA  25  -0.174   6.356   3.078
  194    H    LYS  26           HN       LYS  26  -1.750   4.837  -0.090
  195    HA   LYS  26           HA       LYS  26  -4.291   5.793  -0.797
  196    HB2  LYS  26           HB2      LYS  26  -2.505   5.590  -2.430
  197    HB3  LYS  26           HB1      LYS  26  -2.459   3.850  -2.215
  198    HG2  LYS  26           HG2      LYS  26  -3.575   4.417  -4.275
  199    HG3  LYS  26           HG1      LYS  26  -4.710   3.675  -3.147
  200    HD2  LYS  26           HD2      LYS  26  -5.558   5.892  -2.546
  201    HD3  LYS  26           HD1      LYS  26  -4.423   6.631  -3.677
  202    HE2  LYS  26           HE2      LYS  26  -5.481   5.424  -5.523
  203    HE3  LYS  26           HE1      LYS  26  -6.613   4.688  -4.389
  204    HZ1  LYS  26           HZ1      LYS  26  -7.573   6.588  -5.545
  205    HZ2  LYS  26           HZ2      LYS  26  -6.374   7.597  -4.916
  206    HZ3  LYS  26           HZ3      LYS  26  -7.490   6.862  -3.879
  207    H    TYR  27           HN       TYR  27  -3.116   2.540  -0.093
  208    HA   TYR  27           HA       TYR  27  -5.488   1.133  -0.614
  209    HB2  TYR  27           HB2      TYR  27  -3.428  -0.083  -0.303
  210    HB3  TYR  27           HB1      TYR  27  -3.225   0.577   1.311
  211    HD1  TYR  27           HD1      TYR  27  -5.262  -1.742  -0.732
  212    HD2  TYR  27           HD2      TYR  27  -4.224  -0.473   3.197
  213    HE1  TYR  27           HE1      TYR  27  -6.411  -3.702   0.200
  214    HE2  TYR  27           HE2      TYR  27  -5.375  -2.429   4.136
  215    HH   TYR  27           HH       TYR  27  -7.046  -4.040   3.565
  216    H    GLN  28           HN       GLN  28  -4.340   2.809   2.272
  217    HA   GLN  28           HA       GLN  28  -6.380   2.022   4.028
  218    HB2  GLN  28           HB2      GLN  28  -4.792   4.593   3.966
  219    HB3  GLN  28           HB1      GLN  28  -5.835   4.104   5.290
  220    HG2  GLN  28           HG2      GLN  28  -4.411   2.090   5.601
  221    HG3  GLN  28           HG1      GLN  28  -3.322   2.724   4.362
  222   HE21  GLN  28          HE21      GLN  28  -1.596   2.946   5.765
  223   HE22  GLN  28          HE22      GLN  28  -1.543   4.147   7.003
  224    H    LYS  29           HN       LYS  29  -6.173   4.665   1.717
  225    HA   LYS  29           HA       LYS  29  -8.482   6.044   2.530
  226    HB2  LYS  29           HB2      LYS  29  -6.668   6.946   1.066
  227    HB3  LYS  29           HB1      LYS  29  -7.289   5.953  -0.244
  228    HG2  LYS  29           HG2      LYS  29  -9.365   7.168  -0.246
  229    HG3  LYS  29           HG1      LYS  29  -8.866   8.089   1.176
  230    HD2  LYS  29           HD2      LYS  29  -7.012   9.050  -0.099
  231    HD3  LYS  29           HD1      LYS  29  -7.511   8.133  -1.520
  232    HE2  LYS  29           HE2      LYS  29  -8.287  10.437  -1.649
  233    HE3  LYS  29           HE1      LYS  29  -9.640   9.315  -1.543
  234    HZ1  LYS  29           HZ1      LYS  29  -8.532  10.854   0.742
  235    HZ2  LYS  29           HZ2      LYS  29  -9.888   9.847   0.777
  236    HZ3  LYS  29           HZ3      LYS  29  -9.920  11.274  -0.125
  237    H    ASP  30           HN       ASP  30  -7.985   3.675  -0.075
  238    HA   ASP  30           HA       ASP  30 -10.708   3.464  -0.793
  239    HB2  ASP  30           HB2      ASP  30  -8.314   1.699  -1.195
  240    HB3  ASP  30           HB1      ASP  30  -9.925   1.112  -1.603
  241    H    LEU  31           HN       LEU  31  -8.744   1.875   1.622
  242    HA   LEU  31           HA       LEU  31 -10.547  -0.154   2.368
  243    HB2  LEU  31           HB2      LEU  31  -8.165  -0.137   2.969
  244    HB3  LEU  31           HB1      LEU  31  -8.433   1.254   3.997
  245    HG   LEU  31           HG       LEU  31  -9.871  -0.111   5.462
  246   HD11  LEU  31          HD11      LEU  31 -10.687  -1.744   3.881
  247   HD12  LEU  31          HD12      LEU  31  -9.838  -2.563   5.190
  248   HD13  LEU  31          HD13      LEU  31  -9.053  -2.357   3.625
  249   HD21  LEU  31          HD21      LEU  31  -7.524   0.147   5.983
  250   HD22  LEU  31          HD22      LEU  31  -7.117  -1.210   4.936
  251   HD23  LEU  31          HD23      LEU  31  -8.058  -1.482   6.403
  252    H    ALA  32           HN       ALA  32 -10.078   3.144   3.529
  253    HA   ALA  32           HA       ALA  32 -11.983   3.125   5.584
  254    HB1  ALA  32           HB1      ALA  32 -11.954   5.557   5.379
  255    HB2  ALA  32           HB2      ALA  32 -11.122   5.416   3.830
  256    HB3  ALA  32           HB3      ALA  32 -10.321   4.894   5.311
  257    H    ASP  33           HN       ASP  33 -12.222   3.882   2.159
  258    HA   ASP  33           HA       ASP  33 -14.959   4.601   2.166
  259    HB2  ASP  33           HB2      ASP  33 -13.484   5.276   0.349
  260    HB3  ASP  33           HB1      ASP  33 -13.187   3.594  -0.071
  261    H    TYR  34           HN       TYR  34 -13.271   1.574   1.938
  262    HA   TYR  34           HA       TYR  34 -15.488   0.040   0.977
  263    HB2  TYR  34           HB2      TYR  34 -13.176  -0.652   0.554
  264    HB3  TYR  34           HB1      TYR  34 -12.898  -0.816   2.281
  265    HD1  TYR  34           HD1      TYR  34 -15.235  -2.083  -0.340
  266    HD2  TYR  34           HD2      TYR  34 -13.013  -2.934   3.181
  267    HE1  TYR  34           HE1      TYR  34 -15.956  -4.424  -0.462
  268    HE2  TYR  34           HE2      TYR  34 -13.729  -5.278   3.072
  269    HH   TYR  34           HH       TYR  34 -15.232  -6.616   0.319
  270    HN1  NH2  35           HN1      NH2  35 -17.217  -0.262   2.172
  271    HN2  NH2  35           HN2      NH2  35 -17.252  -0.598   3.864
  Start of MODEL   19
    1    H1   ACE   0           HA1      ACE   0 -14.991  -2.707  -2.539
    2    H2   ACE   0           HA2      ACE   0 -14.644  -2.105  -4.158
    3    H3   ACE   0           HA3      ACE   0 -13.398  -1.986  -2.917
    4    HA   PRO   1           HA       PRO   1 -12.667  -3.651  -1.047
    5    HB2  PRO   1           HB2      PRO   1 -11.264  -6.032  -0.660
    6    HB3  PRO   1           HB1      PRO   1 -12.803  -5.616   0.113
    7    HG2  PRO   1           HG2      PRO   1 -12.283  -7.335  -2.244
    8    HG3  PRO   1           HG1      PRO   1 -13.494  -7.504  -0.956
    9    HD2  PRO   1           HD2      PRO   1 -14.160  -6.608  -3.407
   10    HD3  PRO   1           HD1      PRO   1 -14.950  -5.996  -1.939
   11    HA   PRO   2           HA       PRO   2  -9.107  -2.424  -3.372
   12    HB2  PRO   2           HB2      PRO   2  -7.524  -1.656  -1.237
   13    HB3  PRO   2           HB1      PRO   2  -8.785  -0.645  -1.974
   14    HG2  PRO   2           HG2      PRO   2  -8.889  -2.288   0.501
   15    HG3  PRO   2           HG1      PRO   2  -9.597  -0.697   0.161
   16    HD2  PRO   2           HD2      PRO   2 -11.088  -2.939   0.155
   17    HD3  PRO   2           HD1      PRO   2 -11.417  -1.587  -0.947
   18    H    THR   3           HN       THR   3  -7.209  -3.280  -4.042
   19    HA   THR   3           HA       THR   3  -6.370  -5.799  -2.888
   20    HB   THR   3           HB       THR   3  -5.220  -4.294  -5.243
   21    HG1  THR   3           HG1      THR   3  -7.585  -5.129  -5.171
   22   HG21  THR   3          HG21      THR   3  -3.741  -6.021  -4.306
   23   HG22  THR   3          HG22      THR   3  -4.327  -6.460  -5.911
   24   HG23  THR   3          HG23      THR   3  -5.034  -7.208  -4.478
   25    H    LYS   4           HN       LYS   4  -4.502  -6.139  -1.770
   26    HA   LYS   4           HA       LYS   4  -3.259  -3.900  -0.527
   27    HB2  LYS   4           HB2      LYS   4  -2.486  -6.825  -0.533
   28    HB3  LYS   4           HB1      LYS   4  -1.802  -5.600   0.536
   29    HG2  LYS   4           HG2      LYS   4  -4.034  -5.226   1.496
   30    HG3  LYS   4           HG1      LYS   4  -4.677  -6.496   0.454
   31    HD2  LYS   4           HD2      LYS   4  -3.127  -8.098   1.505
   32    HD3  LYS   4           HD1      LYS   4  -2.561  -6.814   2.576
   33    HE2  LYS   4           HE2      LYS   4  -4.843  -6.568   3.457
   34    HE3  LYS   4           HE1      LYS   4  -5.373  -7.889   2.417
   35    HZ1  LYS   4           HZ1      LYS   4  -3.352  -8.087   4.584
   36    HZ2  LYS   4           HZ2      LYS   4  -3.829  -9.356   3.575
   37    HZ3  LYS   4           HZ3      LYS   4  -4.938  -8.670   4.650
   38    HA   PRO   5           HA       PRO   5  -0.060  -2.792  -3.336
   39    HB2  PRO   5           HB2      PRO   5   2.064  -2.646  -1.511
   40    HB3  PRO   5           HB1      PRO   5   0.955  -1.325  -1.933
   41    HG2  PRO   5           HG2      PRO   5   0.919  -3.148   0.408
   42    HG3  PRO   5           HG1      PRO   5   0.464  -1.432   0.288
   43    HD2  PRO   5           HD2      PRO   5  -1.405  -3.349   0.434
   44    HD3  PRO   5           HD1      PRO   5  -1.635  -1.910  -0.590
   45    H    THR   6           HN       THR   6   1.082  -3.951  -4.683
   46    HA   THR   6           HA       THR   6   1.966  -6.606  -4.042
   47    HB   THR   6           HB       THR   6   2.541  -5.069  -6.565
   48    HG1  THR   6           HG1      THR   6   0.172  -6.419  -5.740
   49   HG21  THR   6          HG21      THR   6   2.452  -7.301  -7.595
   50   HG22  THR   6          HG22      THR   6   2.152  -8.011  -6.008
   51   HG23  THR   6          HG23      THR   6   3.687  -7.213  -6.341
   52    H    LYS   7           HN       LYS   7   3.289  -3.456  -4.099
   53    HA   LYS   7           HA       LYS   7   5.998  -3.985  -4.570
   54    HB2  LYS   7           HB2      LYS   7   4.555  -1.791  -3.109
   55    HB3  LYS   7           HB1      LYS   7   6.308  -1.843  -3.156
   56    HG2  LYS   7           HG2      LYS   7   6.265  -1.743  -5.591
   57    HG3  LYS   7           HG1      LYS   7   4.497  -1.717  -5.565
   58    HD2  LYS   7           HD2      LYS   7   6.147   0.339  -4.117
   59    HD3  LYS   7           HD1      LYS   7   5.707   0.525  -5.815
   60    HE2  LYS   7           HE2      LYS   7   3.705   0.054  -3.618
   61    HE3  LYS   7           HE1      LYS   7   4.184   1.659  -4.164
   62    HZ1  LYS   7           HZ1      LYS   7   3.366   1.149  -6.356
   63    HZ2  LYS   7           HZ2      LYS   7   2.132   0.867  -5.227
   64    HZ3  LYS   7           HZ3      LYS   7   2.985  -0.432  -5.896
   65    HA   PRO   8           HA       PRO   8   7.360  -6.085  -0.946
   66    HB2  PRO   8           HB2      PRO   8   9.947  -5.169  -0.875
   67    HB3  PRO   8           HB1      PRO   8   9.379  -6.444  -1.972
   68    HG2  PRO   8           HG2      PRO   8   9.814  -3.549  -2.500
   69    HG3  PRO   8           HG1      PRO   8  10.199  -4.952  -3.518
   70    HD2  PRO   8           HD2      PRO   8   8.026  -3.427  -3.980
   71    HD3  PRO   8           HD1      PRO   8   8.018  -5.182  -4.264
   72    H    GLY   9           HN       GLY   9   7.598  -5.742   1.211
   73    HA2  GLY   9           HA2      GLY   9   8.132  -3.034   2.176
   74    HA3  GLY   9           HA1      GLY   9   6.591  -3.764   2.601
   75    H    ASP  10           HN       ASP  10   9.521  -5.619   2.301
   76    HA   ASP  10           HA       ASP  10   9.438  -6.078   5.206
   77    HB2  ASP  10           HB2      ASP  10  10.171  -7.924   2.944
   78    HB3  ASP  10           HB1      ASP  10  10.659  -8.254   4.600
   79    H    ASN  11           HN       ASN  11  11.903  -6.684   2.713
   80    HA   ASN  11           HA       ASN  11  13.813  -5.286   4.464
   81    HB2  ASN  11           HB2      ASN  11  15.565  -6.705   3.609
   82    HB3  ASN  11           HB1      ASN  11  14.240  -7.724   4.156
   83   HD21  ASN  11          HD21      ASN  11  16.403  -8.218   2.226
   84   HD22  ASN  11          HD22      ASN  11  15.619  -8.687   0.759
   85    H    ALA  12           HN       ALA  12  12.034  -4.432   2.117
   86    HA   ALA  12           HA       ALA  12  13.707  -3.675  -0.018
   87    HB1  ALA  12           HB1      ALA  12  11.885  -2.227  -0.695
   88    HB2  ALA  12           HB2      ALA  12  11.132  -2.396   0.890
   89    HB3  ALA  12           HB3      ALA  12  11.256  -3.792  -0.181
   90    H    THR  13           HN       THR  13  14.300  -1.478  -0.593
   91    HA   THR  13           HA       THR  13  15.787  -0.234   1.478
   92    HB   THR  13           HB       THR  13  16.289   1.487  -0.258
   93    HG1  THR  13           HG1      THR  13  14.912  -0.118  -2.125
   94   HG21  THR  13          HG21      THR  13  16.561  -1.394  -1.116
   95   HG22  THR  13          HG22      THR  13  17.666  -0.510  -0.063
   96   HG23  THR  13          HG23      THR  13  17.500  -0.044  -1.755
   97    HA   PRO  14           HA       PRO  14  13.034   2.737   3.216
   98    HB2  PRO  14           HB2      PRO  14  14.642   5.003   3.162
   99    HB3  PRO  14           HB1      PRO  14  14.712   3.750   4.413
  100    HG2  PRO  14           HG2      PRO  14  16.437   4.138   2.031
  101    HG3  PRO  14           HG1      PRO  14  16.868   3.632   3.684
  102    HD2  PRO  14           HD2      PRO  14  16.702   1.834   1.711
  103    HD3  PRO  14           HD1      PRO  14  16.155   1.444   3.353
  104    H    GLU  15           HN       GLU  15  14.722   3.534   0.258
  105    HA   GLU  15           HA       GLU  15  13.116   5.689  -0.573
  106    HB2  GLU  15           HB2      GLU  15  15.304   5.124  -1.579
  107    HB3  GLU  15           HB1      GLU  15  14.602   3.664  -2.257
  108    HG2  GLU  15           HG2      GLU  15  12.975   5.163  -3.471
  109    HG3  GLU  15           HG1      GLU  15  13.992   6.515  -2.977
  110    H    LYS  16           HN       LYS  16  12.991   2.224  -1.260
  111    HA   LYS  16           HA       LYS  16  10.646   2.442  -2.877
  112    HB2  LYS  16           HB2      LYS  16  12.337   0.684  -3.250
  113    HB3  LYS  16           HB1      LYS  16  11.957  -0.004  -1.676
  114    HG2  LYS  16           HG2      LYS  16   9.755  -0.598  -2.388
  115    HG3  LYS  16           HG1      LYS  16   9.961   0.273  -3.909
  116    HD2  LYS  16           HD2      LYS  16  11.614  -2.102  -3.061
  117    HD3  LYS  16           HD1      LYS  16  10.203  -2.194  -4.115
  118    HE2  LYS  16           HE2      LYS  16  11.341  -0.635  -5.680
  119    HE3  LYS  16           HE1      LYS  16  12.773  -0.710  -4.654
  120    HZ1  LYS  16           HZ1      LYS  16  12.875  -2.234  -6.554
  121    HZ2  LYS  16           HZ2      LYS  16  11.518  -3.052  -5.972
  122    HZ3  LYS  16           HZ3      LYS  16  12.951  -3.051  -5.079
  123    H    LEU  17           HN       LEU  17  11.337   1.542   0.465
  124    HA   LEU  17           HA       LEU  17   8.781   0.647   1.152
  125    HB2  LEU  17           HB2      LEU  17  10.940   1.940   2.781
  126    HB3  LEU  17           HB1      LEU  17   9.434   1.408   3.493
  127    HG   LEU  17           HG       LEU  17  11.499  -0.324   2.138
  128   HD11  LEU  17          HD11      LEU  17  11.763  -1.299   4.349
  129   HD12  LEU  17          HD12      LEU  17  10.555  -0.190   4.998
  130   HD13  LEU  17          HD13      LEU  17  12.086   0.433   4.386
  131   HD21  LEU  17          HD21      LEU  17   8.799  -1.016   3.280
  132   HD22  LEU  17          HD22      LEU  17  10.045  -2.197   2.880
  133   HD23  LEU  17          HD23      LEU  17   9.334  -1.203   1.610
  134    H    ALA  18           HN       ALA  18  10.065   3.872   0.793
  135    HA   ALA  18           HA       ALA  18   7.960   5.268   2.037
  136    HB1  ALA  18           HB1      ALA  18   8.730   7.199   0.763
  137    HB2  ALA  18           HB2      ALA  18   9.726   6.142  -0.238
  138    HB3  ALA  18           HB3      ALA  18  10.082   6.324   1.478
  139    H    LYS  19           HN       LYS  19   8.470   4.161  -1.275
  140    HA   LYS  19           HA       LYS  19   6.047   5.203  -2.312
  141    HB2  LYS  19           HB2      LYS  19   8.049   4.489  -3.665
  142    HB3  LYS  19           HB1      LYS  19   7.609   2.821  -3.331
  143    HG2  LYS  19           HG2      LYS  19   5.439   3.209  -4.445
  144    HG3  LYS  19           HG1      LYS  19   5.968   4.841  -4.848
  145    HD2  LYS  19           HD2      LYS  19   7.340   2.299  -5.716
  146    HD3  LYS  19           HD1      LYS  19   6.260   3.266  -6.719
  147    HE2  LYS  19           HE2      LYS  19   7.802   5.172  -6.504
  148    HE3  LYS  19           HE1      LYS  19   8.889   4.167  -5.546
  149    HZ1  LYS  19           HZ1      LYS  19   8.104   3.676  -8.365
  150    HZ2  LYS  19           HZ2      LYS  19   9.120   2.686  -7.449
  151    HZ3  LYS  19           HZ3      LYS  19   9.602   4.257  -7.840
  152    H    TYR  20           HN       TYR  20   6.994   2.181  -0.814
  153    HA   TYR  20           HA       TYR  20   4.586   0.771  -1.139
  154    HB2  TYR  20           HB2      TYR  20   6.622  -0.345  -0.416
  155    HB3  TYR  20           HB1      TYR  20   6.664   0.624   1.054
  156    HD1  TYR  20           HD1      TYR  20   4.657  -1.949  -0.733
  157    HD2  TYR  20           HD2      TYR  20   5.584  -0.117   2.994
  158    HE1  TYR  20           HE1      TYR  20   3.358  -3.679   0.433
  159    HE2  TYR  20           HE2      TYR  20   4.286  -1.845   4.169
  160    HH   TYR  20           HH       TYR  20   3.204  -4.694   2.624
  161    H    GLN  21           HN       GLN  21   5.720   2.950   1.423
  162    HA   GLN  21           HA       GLN  21   3.455   2.751   3.077
  163    HB2  GLN  21           HB2      GLN  21   5.449   4.988   2.709
  164    HB3  GLN  21           HB1      GLN  21   4.205   4.995   3.949
  165    HG2  GLN  21           HG2      GLN  21   6.360   2.913   3.673
  166    HG3  GLN  21           HG1      GLN  21   6.392   4.270   4.797
  167   HE21  GLN  21          HE21      GLN  21   6.442   1.396   5.340
  168   HE22  GLN  21          HE22      GLN  21   5.083   1.085   6.362
  169    H    ALA  22           HN       ALA  22   4.179   4.816   0.324
  170    HA   ALA  22           HA       ALA  22   1.896   6.471   0.553
  171    HB1  ALA  22           HB1      ALA  22   3.861   7.120  -0.738
  172    HB2  ALA  22           HB2      ALA  22   2.411   7.143  -1.742
  173    HB3  ALA  22           HB3      ALA  22   3.556   5.807  -1.874
  174    H    ASP  23           HN       ASP  23   2.524   3.412  -1.033
  175    HA   ASP  23           HA       ASP  23   0.010   3.341  -2.422
  176    HB2  ASP  23           HB2      ASP  23   2.167   2.117  -3.080
  177    HB3  ASP  23           HB1      ASP  23   1.765   0.960  -1.811
  178    H    LEU  24           HN       LEU  24   1.346   1.941   0.524
  179    HA   LEU  24           HA       LEU  24  -0.920   0.447   1.295
  180    HB2  LEU  24           HB2      LEU  24   1.403   0.215   2.223
  181    HB3  LEU  24           HB1      LEU  24   1.169   1.728   3.070
  182    HG   LEU  24           HG       LEU  24   0.912  -0.468   4.376
  183   HD11  LEU  24          HD11      LEU  24  -1.248   1.622   4.491
  184   HD12  LEU  24          HD12      LEU  24   0.320   1.691   5.295
  185   HD13  LEU  24          HD13      LEU  24  -0.864   0.473   5.771
  186   HD21  LEU  24          HD21      LEU  24  -0.520  -1.608   2.754
  187   HD22  LEU  24          HD22      LEU  24  -1.776  -0.400   3.018
  188   HD23  LEU  24          HD23      LEU  24  -1.299  -1.474   4.330
  189    H    ALA  25           HN       ALA  25   0.051   3.793   1.866
  190    HA   ALA  25           HA       ALA  25  -2.079   4.560   3.522
  191    HB1  ALA  25           HB1      ALA  25  -0.591   6.204   1.483
  192    HB2  ALA  25           HB2      ALA  25  -0.101   5.937   3.154
  193    HB3  ALA  25           HB3      ALA  25  -1.576   6.834   2.803
  194    H    LYS  26           HN       LYS  26  -1.740   4.512   0.012
  195    HA   LYS  26           HA       LYS  26  -4.257   5.556  -0.658
  196    HB2  LYS  26           HB2      LYS  26  -2.393   5.281  -2.259
  197    HB3  LYS  26           HB1      LYS  26  -2.577   3.538  -2.162
  198    HG2  LYS  26           HG2      LYS  26  -4.815   3.716  -3.122
  199    HG3  LYS  26           HG1      LYS  26  -4.628   5.467  -3.224
  200    HD2  LYS  26           HD2      LYS  26  -2.754   5.206  -4.743
  201    HD3  LYS  26           HD1      LYS  26  -2.850   3.451  -4.592
  202    HE2  LYS  26           HE2      LYS  26  -5.021   5.224  -5.706
  203    HE3  LYS  26           HE1      LYS  26  -3.876   4.292  -6.671
  204    HZ1  LYS  26           HZ1      LYS  26  -4.754   2.272  -5.594
  205    HZ2  LYS  26           HZ2      LYS  26  -5.919   3.092  -6.499
  206    HZ3  LYS  26           HZ3      LYS  26  -5.924   3.210  -4.813
  207    H    TYR  27           HN       TYR  27  -3.156   2.299   0.069
  208    HA   TYR  27           HA       TYR  27  -5.560   0.929  -0.465
  209    HB2  TYR  27           HB2      TYR  27  -3.473  -0.284  -0.169
  210    HB3  TYR  27           HB1      TYR  27  -3.317   0.318   1.474
  211    HD1  TYR  27           HD1      TYR  27  -5.214  -1.971  -0.712
  212    HD2  TYR  27           HD2      TYR  27  -4.452  -0.741   3.288
  213    HE1  TYR  27           HE1      TYR  27  -6.399  -3.955   0.118
  214    HE2  TYR  27           HE2      TYR  27  -5.636  -2.722   4.124
  215    HH   TYR  27           HH       TYR  27  -7.231  -4.343   3.441
  216    H    GLN  28           HN       GLN  28  -4.297   2.444   2.477
  217    HA   GLN  28           HA       GLN  28  -6.406   1.727   4.185
  218    HB2  GLN  28           HB2      GLN  28  -4.566   4.129   4.279
  219    HB3  GLN  28           HB1      GLN  28  -5.653   3.663   5.579
  220    HG2  GLN  28           HG2      GLN  28  -4.450   1.539   5.817
  221    HG3  GLN  28           HG1      GLN  28  -3.353   2.025   4.524
  222   HE21  GLN  28          HE21      GLN  28  -2.815   1.401   7.336
  223   HE22  GLN  28          HE22      GLN  28  -2.016   2.793   7.980
  224    H    LYS  29           HN       LYS  29  -5.885   4.631   2.213
  225    HA   LYS  29           HA       LYS  29  -8.182   6.018   3.049
  226    HB2  LYS  29           HB2      LYS  29  -6.265   7.029   1.816
  227    HB3  LYS  29           HB1      LYS  29  -6.809   6.204   0.359
  228    HG2  LYS  29           HG2      LYS  29  -8.974   7.429   0.569
  229    HG3  LYS  29           HG1      LYS  29  -8.258   8.353   1.889
  230    HD2  LYS  29           HD2      LYS  29  -7.229   8.231  -0.944
  231    HD3  LYS  29           HD1      LYS  29  -8.133   9.567  -0.232
  232    HE2  LYS  29           HE2      LYS  29  -6.343   9.941   1.375
  233    HE3  LYS  29           HE1      LYS  29  -5.447   8.575   0.715
  234    HZ1  LYS  29           HZ1      LYS  29  -5.256   9.730  -1.378
  235    HZ2  LYS  29           HZ2      LYS  29  -4.646  10.701  -0.134
  236    HZ3  LYS  29           HZ3      LYS  29  -6.170  11.028  -0.789
  237    H    ASP  30           HN       ASP  30  -7.614   3.869   0.308
  238    HA   ASP  30           HA       ASP  30 -10.184   4.031  -0.838
  239    HB2  ASP  30           HB2      ASP  30  -8.092   3.050  -1.896
  240    HB3  ASP  30           HB1      ASP  30  -8.354   1.617  -0.899
  241    H    LEU  31           HN       LEU  31  -8.775   1.881   1.559
  242    HA   LEU  31           HA       LEU  31 -10.988   0.174   1.904
  243    HB2  LEU  31           HB2      LEU  31  -8.635  -0.264   2.644
  244    HB3  LEU  31           HB1      LEU  31  -8.868   0.904   3.926
  245    HG   LEU  31           HG       LEU  31 -10.588  -0.512   4.934
  246   HD11  LEU  31          HD11      LEU  31 -10.881  -2.826   4.091
  247   HD12  LEU  31          HD12      LEU  31  -9.966  -2.380   2.650
  248   HD13  LEU  31          HD13      LEU  31 -11.509  -1.598   2.994
  249   HD21  LEU  31          HD21      LEU  31  -8.292  -0.780   5.636
  250   HD22  LEU  31          HD22      LEU  31  -7.992  -1.911   4.316
  251   HD23  LEU  31          HD23      LEU  31  -9.098  -2.349   5.619
  252    H    ALA  32           HN       ALA  32  -9.989   3.127   3.570
  253    HA   ALA  32           HA       ALA  32 -12.005   3.169   5.524
  254    HB1  ALA  32           HB1      ALA  32  -9.974   4.542   5.619
  255    HB2  ALA  32           HB2      ALA  32 -11.437   5.509   5.806
  256    HB3  ALA  32           HB3      ALA  32 -10.576   5.500   4.268
  257    H    ASP  33           HN       ASP  33 -11.852   4.461   2.254
  258    HA   ASP  33           HA       ASP  33 -14.371   5.777   2.366
  259    HB2  ASP  33           HB2      ASP  33 -12.668   6.431   0.730
  260    HB3  ASP  33           HB1      ASP  33 -12.767   4.847  -0.029
  261    H    TYR  34           HN       TYR  34 -13.342   2.546   1.651
  262    HA   TYR  34           HA       TYR  34 -15.870   1.743   0.509
  263    HB2  TYR  34           HB2      TYR  34 -13.782   0.716  -0.265
  264    HB3  TYR  34           HB1      TYR  34 -13.466   0.115   1.356
  265    HD1  TYR  34           HD1      TYR  34 -16.340   0.036  -1.040
  266    HD2  TYR  34           HD2      TYR  34 -13.812  -2.140   1.594
  267    HE1  TYR  34           HE1      TYR  34 -17.554  -2.018  -1.583
  268    HE2  TYR  34           HE2      TYR  34 -15.021  -4.206   1.058
  269    HH   TYR  34           HH       TYR  34 -17.272  -4.860   0.217
  270    HN1  NH2  35           HN1      NH2  35 -17.332   2.207   2.142
  271    HN2  NH2  35           HN2      NH2  35 -17.448   1.261   3.583
  Start of MODEL   20
    1    H1   ACE   0           HA1      ACE   0 -12.999  -1.957  -2.469
    2    H2   ACE   0           HA2      ACE   0 -14.530  -2.631  -1.909
    3    H3   ACE   0           HA3      ACE   0 -14.399  -2.077  -3.576
    4    HA   PRO   1           HA       PRO   1 -12.295  -3.826  -0.548
    5    HB2  PRO   1           HB2      PRO   1 -11.058  -6.349  -0.422
    6    HB3  PRO   1           HB1      PRO   1 -12.460  -5.833   0.528
    7    HG2  PRO   1           HG2      PRO   1 -12.350  -7.461  -1.939
    8    HG3  PRO   1           HG1      PRO   1 -13.469  -7.556  -0.564
    9    HD2  PRO   1           HD2      PRO   1 -14.231  -6.475  -2.903
   10    HD3  PRO   1           HD1      PRO   1 -14.796  -5.816  -1.353
   11    HA   PRO   2           HA       PRO   2  -8.743  -2.886  -3.072
   12    HB2  PRO   2           HB2      PRO   2  -7.233  -1.751  -1.097
   13    HB3  PRO   2           HB1      PRO   2  -8.572  -0.908  -1.906
   14    HG2  PRO   2           HG2      PRO   2  -8.525  -2.270   0.741
   15    HG3  PRO   2           HG1      PRO   2  -9.290  -0.741   0.265
   16    HD2  PRO   2           HD2      PRO   2 -10.699  -3.040   0.522
   17    HD3  PRO   2           HD1      PRO   2 -11.125  -1.783  -0.657
   18    H    THR   3           HN       THR   3  -6.973  -4.023  -3.599
   19    HA   THR   3           HA       THR   3  -6.073  -6.156  -1.865
   20    HB   THR   3           HB       THR   3  -4.958  -5.310  -4.542
   21    HG1  THR   3           HG1      THR   3  -7.186  -6.910  -3.838
   22   HG21  THR   3          HG21      THR   3  -3.525  -6.802  -3.221
   23   HG22  THR   3          HG22      THR   3  -4.156  -7.609  -4.655
   24   HG23  THR   3          HG23      THR   3  -4.860  -7.944  -3.074
   25    H    LYS   4           HN       LYS   4  -4.175  -6.183  -0.741
   26    HA   LYS   4           HA       LYS   4  -2.901  -3.762  -0.099
   27    HB2  LYS   4           HB2      LYS   4  -1.985  -6.615   0.291
   28    HB3  LYS   4           HB1      LYS   4  -1.193  -5.213   1.010
   29    HG2  LYS   4           HG2      LYS   4  -3.331  -4.674   2.155
   30    HG3  LYS   4           HG1      LYS   4  -3.993  -6.186   1.534
   31    HD2  LYS   4           HD2      LYS   4  -1.603  -5.887   3.342
   32    HD3  LYS   4           HD1      LYS   4  -3.202  -6.456   3.818
   33    HE2  LYS   4           HE2      LYS   4  -2.970  -8.385   2.351
   34    HE3  LYS   4           HE1      LYS   4  -1.394  -7.806   1.815
   35    HZ1  LYS   4           HZ1      LYS   4  -2.089  -8.598   4.589
   36    HZ2  LYS   4           HZ2      LYS   4  -0.578  -8.044   4.071
   37    HZ3  LYS   4           HZ3      LYS   4  -1.180  -9.516   3.498
   38    HA   PRO   5           HA       PRO   5  -0.182  -2.971  -3.397
   39    HB2  PRO   5           HB2      PRO   5   2.029  -2.522  -1.477
   40    HB3  PRO   5           HB1      PRO   5   1.314  -1.405  -2.657
   41    HG2  PRO   5           HG2      PRO   5   0.868  -1.115  -0.060
   42    HG3  PRO   5           HG1      PRO   5  -0.405  -0.798  -1.267
   43    HD2  PRO   5           HD2      PRO   5  -0.052  -3.171   0.525
   44    HD3  PRO   5           HD1      PRO   5  -1.543  -2.334   0.034
   45    H    THR   6           HN       THR   6   1.004  -4.142  -4.738
   46    HA   THR   6           HA       THR   6   2.085  -6.663  -3.901
   47    HB   THR   6           HB       THR   6   2.436  -5.375  -6.599
   48    HG1  THR   6           HG1      THR   6   0.173  -6.692  -5.478
   49   HG21  THR   6          HG21      THR   6   3.670  -7.453  -6.220
   50   HG22  THR   6          HG22      THR   6   2.370  -7.702  -7.386
   51   HG23  THR   6          HG23      THR   6   2.182  -8.254  -5.721
   52    H    LYS   7           HN       LYS   7   3.202  -3.516  -4.040
   53    HA   LYS   7           HA       LYS   7   5.943  -3.869  -4.609
   54    HB2  LYS   7           HB2      LYS   7   4.595  -1.804  -2.854
   55    HB3  LYS   7           HB1      LYS   7   6.223  -1.689  -3.502
   56    HG2  LYS   7           HG2      LYS   7   5.390  -1.521  -5.740
   57    HG3  LYS   7           HG1      LYS   7   3.738  -1.843  -5.196
   58    HD2  LYS   7           HD2      LYS   7   3.802   0.236  -3.865
   59    HD3  LYS   7           HD1      LYS   7   5.424   0.565  -4.480
   60    HE2  LYS   7           HE2      LYS   7   3.725   1.825  -5.706
   61    HE3  LYS   7           HE1      LYS   7   4.552   0.675  -6.754
   62    HZ1  LYS   7           HZ1      LYS   7   2.152   0.691  -7.115
   63    HZ2  LYS   7           HZ2      LYS   7   1.888   0.245  -5.502
   64    HZ3  LYS   7           HZ3      LYS   7   2.676  -0.818  -6.560
   65    HA   PRO   8           HA       PRO   8   7.322  -5.982  -0.986
   66    HB2  PRO   8           HB2      PRO   8   9.886  -5.052  -0.840
   67    HB3  PRO   8           HB1      PRO   8   9.356  -6.263  -2.024
   68    HG2  PRO   8           HG2      PRO   8   9.722  -3.325  -2.366
   69    HG3  PRO   8           HG1      PRO   8  10.210  -4.647  -3.446
   70    HD2  PRO   8           HD2      PRO   8   7.990  -3.202  -3.919
   71    HD3  PRO   8           HD1      PRO   8   8.057  -4.946  -4.273
   72    H    GLY   9           HN       GLY   9   7.235  -5.636   1.160
   73    HA2  GLY   9           HA2      GLY   9   7.845  -2.975   2.210
   74    HA3  GLY   9           HA1      GLY   9   6.212  -3.580   2.428
   75    H    ASP  10           HN       ASP  10   8.924  -5.738   2.498
   76    HA   ASP  10           HA       ASP  10   8.513  -6.063   5.394
   77    HB2  ASP  10           HB2      ASP  10   9.399  -8.084   3.330
   78    HB3  ASP  10           HB1      ASP  10   9.418  -8.381   5.065
   79    H    ASN  11           HN       ASN  11  11.072  -6.819   3.050
   80    HA   ASN  11           HA       ASN  11  13.003  -5.548   4.882
   81    HB2  ASN  11           HB2      ASN  11  13.435  -7.930   3.062
   82    HB3  ASN  11           HB1      ASN  11  14.709  -7.114   3.956
   83   HD21  ASN  11          HD21      ASN  11  11.985  -9.243   4.153
   84   HD22  ASN  11          HD22      ASN  11  12.243  -9.750   5.786
   85    H    ALA  12           HN       ALA  12  11.428  -4.459   2.653
   86    HA   ALA  12           HA       ALA  12  13.047  -4.143   0.357
   87    HB1  ALA  12           HB1      ALA  12  10.853  -2.304   1.274
   88    HB2  ALA  12           HB2      ALA  12  10.569  -3.844   0.468
   89    HB3  ALA  12           HB3      ALA  12  11.436  -2.559  -0.372
   90    H    THR  13           HN       THR  13  13.784  -2.004  -0.424
   91    HA   THR  13           HA       THR  13  15.605  -0.829   1.424
   92    HB   THR  13           HB       THR  13  16.073   0.736  -0.480
   93    HG1  THR  13           HG1      THR  13  15.044  -0.095  -2.523
   94   HG21  THR  13          HG21      THR  13  17.308  -1.352  -0.204
   95   HG22  THR  13          HG22      THR  13  17.068  -0.984  -1.913
   96   HG23  THR  13          HG23      THR  13  16.072  -2.210  -1.125
   97    HA   PRO  14           HA       PRO  14  13.270   2.385   3.268
   98    HB2  PRO  14           HB2      PRO  14  15.025   4.529   2.961
   99    HB3  PRO  14           HB1      PRO  14  15.096   3.333   4.266
  100    HG2  PRO  14           HG2      PRO  14  16.667   3.489   1.761
  101    HG3  PRO  14           HG1      PRO  14  17.166   2.984   3.396
  102    HD2  PRO  14           HD2      PRO  14  16.702   1.175   1.473
  103    HD3  PRO  14           HD1      PRO  14  16.270   0.857   3.164
  104    H    GLU  15           HN       GLU  15  14.806   3.193   0.182
  105    HA   GLU  15           HA       GLU  15  13.125   5.359  -0.473
  106    HB2  GLU  15           HB2      GLU  15  15.265   4.960  -1.600
  107    HB3  GLU  15           HB1      GLU  15  14.632   3.471  -2.291
  108    HG2  GLU  15           HG2      GLU  15  12.918   4.815  -3.489
  109    HG3  GLU  15           HG1      GLU  15  13.699   6.271  -2.874
  110    H    LYS  16           HN       LYS  16  12.969   1.902  -1.193
  111    HA   LYS  16           HA       LYS  16  10.634   2.067  -2.801
  112    HB2  LYS  16           HB2      LYS  16  12.248   0.184  -2.929
  113    HB3  LYS  16           HB1      LYS  16  11.770  -0.307  -1.310
  114    HG2  LYS  16           HG2      LYS  16  10.665  -1.715  -2.877
  115    HG3  LYS  16           HG1      LYS  16   9.459  -0.649  -2.157
  116    HD2  LYS  16           HD2      LYS  16   9.035  -0.784  -4.515
  117    HD3  LYS  16           HD1      LYS  16   9.669   0.824  -4.163
  118    HE2  LYS  16           HE2      LYS  16  11.881   0.130  -4.916
  119    HE3  LYS  16           HE1      LYS  16  11.277  -1.496  -5.225
  120    HZ1  LYS  16           HZ1      LYS  16  10.482   0.994  -6.628
  121    HZ2  LYS  16           HZ2      LYS  16   9.732  -0.503  -6.859
  122    HZ3  LYS  16           HZ3      LYS  16  11.361  -0.304  -7.269
  123    H    LEU  17           HN       LEU  17  11.256   1.356   0.598
  124    HA   LEU  17           HA       LEU  17   8.652   0.698   1.350
  125    HB2  LEU  17           HB2      LEU  17  10.935   1.905   2.866
  126    HB3  LEU  17           HB1      LEU  17   9.403   1.556   3.635
  127    HG   LEU  17           HG       LEU  17  11.242  -0.453   2.335
  128   HD11  LEU  17          HD11      LEU  17  11.536  -1.282   4.615
  129   HD12  LEU  17          HD12      LEU  17  10.529   0.033   5.221
  130   HD13  LEU  17          HD13      LEU  17  12.077   0.387   4.454
  131   HD21  LEU  17          HD21      LEU  17   8.979  -1.162   2.014
  132   HD22  LEU  17          HD22      LEU  17   8.568  -0.776   3.683
  133   HD23  LEU  17          HD23      LEU  17   9.668  -2.110   3.334
  134    H    ALA  18           HN       ALA  18  10.205   3.827   0.958
  135    HA   ALA  18           HA       ALA  18   8.209   5.394   2.154
  136    HB1  ALA  18           HB1      ALA  18  10.425   6.259   1.600
  137    HB2  ALA  18           HB2      ALA  18   9.152   7.249   0.885
  138    HB3  ALA  18           HB3      ALA  18  10.053   6.111  -0.117
  139    H    LYS  19           HN       LYS  19   8.652   4.270  -1.165
  140    HA   LYS  19           HA       LYS  19   6.299   5.492  -2.187
  141    HB2  LYS  19           HB2      LYS  19   8.149   4.788  -3.634
  142    HB3  LYS  19           HB1      LYS  19   7.860   3.110  -3.206
  143    HG2  LYS  19           HG2      LYS  19   5.674   3.192  -4.267
  144    HG3  LYS  19           HG1      LYS  19   5.921   4.895  -4.665
  145    HD2  LYS  19           HD2      LYS  19   7.666   2.630  -5.629
  146    HD3  LYS  19           HD1      LYS  19   6.365   3.367  -6.567
  147    HE2  LYS  19           HE2      LYS  19   7.505   5.519  -6.479
  148    HE3  LYS  19           HE1      LYS  19   8.792   4.810  -5.506
  149    HZ1  LYS  19           HZ1      LYS  19   8.101   4.012  -8.279
  150    HZ2  LYS  19           HZ2      LYS  19   9.357   3.369  -7.345
  151    HZ3  LYS  19           HZ3      LYS  19   9.411   4.985  -7.835
  152    H    TYR  20           HN       TYR  20   7.049   2.350  -0.803
  153    HA   TYR  20           HA       TYR  20   4.589   1.088  -1.225
  154    HB2  TYR  20           HB2      TYR  20   6.559  -0.131  -0.459
  155    HB3  TYR  20           HB1      TYR  20   6.557   0.779   1.051
  156    HD1  TYR  20           HD1      TYR  20   4.646  -1.702  -0.926
  157    HD2  TYR  20           HD2      TYR  20   5.259   0.068   2.892
  158    HE1  TYR  20           HE1      TYR  20   3.200  -3.411   0.091
  159    HE2  TYR  20           HE2      TYR  20   3.817  -1.637   3.919
  160    HH   TYR  20           HH       TYR  20   2.765  -4.434   2.211
  161    H    GLN  21           HN       GLN  21   5.715   3.222   1.356
  162    HA   GLN  21           HA       GLN  21   3.442   3.068   3.000
  163    HB2  GLN  21           HB2      GLN  21   5.467   5.274   2.610
  164    HB3  GLN  21           HB1      GLN  21   4.212   5.323   3.835
  165    HG2  GLN  21           HG2      GLN  21   5.118   3.385   4.921
  166    HG3  GLN  21           HG1      GLN  21   6.295   3.167   3.626
  167   HE21  GLN  21          HE21      GLN  21   8.031   3.304   5.063
  168   HE22  GLN  21          HE22      GLN  21   8.517   4.806   5.772
  169    H    ALA  22           HN       ALA  22   4.216   5.160   0.266
  170    HA   ALA  22           HA       ALA  22   1.941   6.824   0.491
  171    HB1  ALA  22           HB1      ALA  22   2.469   7.499  -1.813
  172    HB2  ALA  22           HB2      ALA  22   3.643   6.185  -1.915
  173    HB3  ALA  22           HB3      ALA  22   3.895   7.506  -0.775
  174    H    ASP  23           HN       ASP  23   2.591   3.830  -1.209
  175    HA   ASP  23           HA       ASP  23   0.076   3.793  -2.589
  176    HB2  ASP  23           HB2      ASP  23   2.228   2.654  -3.342
  177    HB3  ASP  23           HB1      ASP  23   1.920   1.442  -2.099
  178    H    LEU  24           HN       LEU  24   1.393   2.407   0.352
  179    HA   LEU  24           HA       LEU  24  -0.861   0.867   1.104
  180    HB2  LEU  24           HB2      LEU  24   1.491   0.757   2.067
  181    HB3  LEU  24           HB1      LEU  24   1.118   2.221   2.947
  182    HG   LEU  24           HG       LEU  24   0.972   0.028   4.221
  183   HD11  LEU  24          HD11      LEU  24  -1.460   1.798   4.184
  184   HD12  LEU  24          HD12      LEU  24   0.033   2.105   5.071
  185   HD13  LEU  24          HD13      LEU  24  -0.977   0.722   5.496
  186   HD21  LEU  24          HD21      LEU  24  -1.607  -0.215   2.691
  187   HD22  LEU  24          HD22      LEU  24  -1.059  -1.261   3.999
  188   HD23  LEU  24          HD23      LEU  24  -0.189  -1.237   2.465
  189    H    ALA  25           HN       ALA  25   0.049   4.234   1.574
  190    HA   ALA  25           HA       ALA  25  -2.054   5.032   3.240
  191    HB1  ALA  25           HB1      ALA  25  -0.067   6.396   2.761
  192    HB2  ALA  25           HB2      ALA  25  -1.567   7.286   2.499
  193    HB3  ALA  25           HB3      ALA  25  -0.661   6.659   1.120
  194    H    LYS  26           HN       LYS  26  -1.829   4.767  -0.270
  195    HA   LYS  26           HA       LYS  26  -4.389   5.746  -0.914
  196    HB2  LYS  26           HB2      LYS  26  -2.648   5.366  -2.605
  197    HB3  LYS  26           HB1      LYS  26  -2.721   3.638  -2.309
  198    HG2  LYS  26           HG2      LYS  26  -3.919   4.069  -4.306
  199    HG3  LYS  26           HG1      LYS  26  -5.103   3.688  -3.056
  200    HD2  LYS  26           HD2      LYS  26  -5.472   6.113  -2.729
  201    HD3  LYS  26           HD1      LYS  26  -4.364   6.431  -4.065
  202    HE2  LYS  26           HE2      LYS  26  -6.948   4.886  -4.220
  203    HE3  LYS  26           HE1      LYS  26  -6.682   6.523  -4.814
  204    HZ1  LYS  26           HZ1      LYS  26  -5.337   4.074  -5.814
  205    HZ2  LYS  26           HZ2      LYS  26  -5.061   5.641  -6.377
  206    HZ3  LYS  26           HZ3      LYS  26  -6.570   4.920  -6.600
  207    H    TYR  27           HN       TYR  27  -3.191   2.556  -0.088
  208    HA   TYR  27           HA       TYR  27  -5.554   1.086  -0.397
  209    HB2  TYR  27           HB2      TYR  27  -3.439  -0.031  -0.168
  210    HB3  TYR  27           HB1      TYR  27  -3.151   0.715   1.393
  211    HD1  TYR  27           HD1      TYR  27  -5.094  -1.858  -0.391
  212    HD2  TYR  27           HD2      TYR  27  -4.059  -0.232   3.400
  213    HE1  TYR  27           HE1      TYR  27  -6.090  -3.812   0.711
  214    HE2  TYR  27           HE2      TYR  27  -5.046  -2.188   4.511
  215    HH   TYR  27           HH       TYR  27  -6.081  -4.992   2.726
  216    H    GLN  28           HN       GLN  28  -4.301   2.958   2.320
  217    HA   GLN  28           HA       GLN  28  -6.194   2.218   4.245
  218    HB2  GLN  28           HB2      GLN  28  -4.783   4.878   3.908
  219    HB3  GLN  28           HB1      GLN  28  -5.662   4.383   5.347
  220    HG2  GLN  28           HG2      GLN  28  -4.068   2.551   5.687
  221    HG3  GLN  28           HG1      GLN  28  -3.178   3.068   4.250
  222   HE21  GLN  28          HE21      GLN  28  -1.303   3.521   5.360
  223   HE22  GLN  28          HE22      GLN  28  -1.146   4.862   6.435
  224    H    LYS  29           HN       LYS  29  -6.201   4.877   1.900
  225    HA   LYS  29           HA       LYS  29  -8.620   6.040   2.730
  226    HB2  LYS  29           HB2      LYS  29  -7.042   7.262   1.347
  227    HB3  LYS  29           HB1      LYS  29  -7.247   6.106   0.036
  228    HG2  LYS  29           HG2      LYS  29  -8.457   8.177  -0.393
  229    HG3  LYS  29           HG1      LYS  29  -9.557   6.806  -0.249
  230    HD2  LYS  29           HD2      LYS  29 -10.060   7.457   2.057
  231    HD3  LYS  29           HD1      LYS  29  -8.957   8.827   1.910
  232    HE2  LYS  29           HE2      LYS  29 -10.339   9.779   0.156
  233    HE3  LYS  29           HE1      LYS  29 -11.416   8.386   0.224
  234    HZ1  LYS  29           HZ1      LYS  29 -12.059   8.982   2.440
  235    HZ2  LYS  29           HZ2      LYS  29 -12.264  10.330   1.441
  236    HZ3  LYS  29           HZ3      LYS  29 -10.940  10.248   2.486
  237    H    ASP  30           HN       ASP  30  -7.907   3.738   0.139
  238    HA   ASP  30           HA       ASP  30 -10.553   3.496  -0.808
  239    HB2  ASP  30           HB2      ASP  30  -8.394   2.766  -1.971
  240    HB3  ASP  30           HB1      ASP  30  -8.455   1.324  -0.955
  241    H    LEU  31           HN       LEU  31  -8.723   1.755   1.634
  242    HA   LEU  31           HA       LEU  31 -10.624  -0.269   2.174
  243    HB2  LEU  31           HB2      LEU  31  -8.200  -0.307   2.816
  244    HB3  LEU  31           HB1      LEU  31  -8.557   0.892   4.044
  245    HG   LEU  31           HG       LEU  31 -10.082  -0.726   5.140
  246   HD11  LEU  31          HD11      LEU  31 -10.677  -2.129   3.271
  247   HD12  LEU  31          HD12      LEU  31  -9.886  -3.107   4.507
  248   HD13  LEU  31          HD13      LEU  31  -8.996  -2.623   3.064
  249   HD21  LEU  31          HD21      LEU  31  -7.794  -0.444   5.895
  250   HD22  LEU  31          HD22      LEU  31  -7.243  -1.638   4.719
  251   HD23  LEU  31          HD23      LEU  31  -8.294  -2.128   6.050
  252    H    ALA  32           HN       ALA  32  -9.948   2.828   3.770
  253    HA   ALA  32           HA       ALA  32 -11.912   2.612   5.768
  254    HB1  ALA  32           HB1      ALA  32 -10.062   4.215   5.852
  255    HB2  ALA  32           HB2      ALA  32 -11.625   5.005   6.061
  256    HB3  ALA  32           HB3      ALA  32 -10.786   5.105   4.513
  257    H    ASP  33           HN       ASP  33 -11.964   3.906   2.514
  258    HA   ASP  33           HA       ASP  33 -14.550   5.030   2.602
  259    HB2  ASP  33           HB2      ASP  33 -12.833   5.548   0.870
  260    HB3  ASP  33           HB1      ASP  33 -13.071   3.939   0.197
  261    H    TYR  34           HN       TYR  34 -13.369   1.815   2.151
  262    HA   TYR  34           HA       TYR  34 -16.055   0.833   1.485
  263    HB2  TYR  34           HB2      TYR  34 -14.190   0.218  -0.035
  264    HB3  TYR  34           HB1      TYR  34 -13.393  -0.589   1.307
  265    HD1  TYR  34           HD1      TYR  34 -16.645  -0.603  -0.526
  266    HD2  TYR  34           HD2      TYR  34 -13.713  -2.854   1.564
  267    HE1  TYR  34           HE1      TYR  34 -17.870  -2.664  -1.039
  268    HE2  TYR  34           HE2      TYR  34 -14.922  -4.924   1.049
  269    HH   TYR  34           HH       TYR  34 -17.278  -5.593   0.501
  270    HN1  NH2  35           HN1      NH2  35 -16.607   1.248   3.745
  271    HN2  NH2  35           HN2      NH2  35 -16.214   0.063   4.938