*HEADER    UNKNOWN FUNCTION                        13-DEC-13   2MIE              
*TITLE     SOLUTION STRUCTURE OF THE CLAVATA ENCODED PEPTIDE OF ARABIDOPSIS      
*TITLE    2 THALIANA - ATCLE44                                                   
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: CLAVATA3/ESR (CLE)-RELATED PROTEIN 44;                     
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: UNP RESIDUES 101-112;                                      
*COMPND   5 SYNONYM: TRACHEARY ELEMENT DIFFERENTIATION INHIBITORY FACTOR-LIKE    
*COMPND   6 PROTEIN, TDIF-LIKE PROTEIN, CLE44P;                                  
*COMPND   7 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: ARABIDOPSIS THALIANA;                           
*SOURCE   4 ORGANISM_COMMON: MOUSE-EAR CRESS,THALE-CRESS;                        
*SOURCE   5 ORGANISM_TAXID: 3702                                                 
*KEYWDS    CLE, CLAVATA, UNKNOWN FUNCTION                                        
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    10                                                                    
*AUTHOR    B.G.BOBAY, P.M.DIGENNARO, D.M.BIRD                                    
*REVDAT   1   24-DEC-14 2MIE    0                                                


assign (segid "    " and resid    2 and name   HN) (segid "    " and resid    4 and name  HB2) 4.385 2.404 2.404 weight 1.000 ! spec=noesy_300ms, no=4, id=2, vol=3.091248e+01
    or (segid "    " and resid    2 and name   HN) (segid "    " and resid    9 and name  HB1)
assign (segid "    " and resid    8 and name   HN) (segid "    " and resid    8 and name  HB2) 3.035 1.152 1.152 weight 1.000 ! spec=noesy_300ms, no=11, id=5, vol=2.810937e+02
    or (segid "    " and resid    8 and name   HN) (segid "    " and resid   12 and name  HB2)
assign (segid "    " and resid    3 and name   HN) (segid "    " and resid    2 and name   HA) 1.853 0.053 4.147 weight 1.000 ! spec=noesy_300ms, no=19, id=13, vol=5.435950e+03
    or (segid "    " and resid    3 and name   HN) (segid "    " and resid    3 and name   HA)
assign (segid "    " and resid    5 and name   HN) (segid "    " and resid    5 and name  HB2) 3.003 1.127 1.127 weight 1.000 ! spec=noesy_300ms, no=21, id=15, vol=2.998609e+02
    or (segid "    " and resid    5 and name   HN) (segid "    " and resid    9 and name  HD2)
assign (segid "    " and resid   10 and name   HN) (segid "    " and resid    5 and name   HA) 1.962 0.481 0.481 weight 1.000 ! spec=noesy_300ms, no=29, id=20, vol=3.850552e+03
    or (segid "    " and resid    6 and name   HN) (segid "    " and resid    5 and name   HA)
assign (segid "    " and resid   10 and name   HN) (segid "    " and resid    3 and name   HA) 1.997 0.197 4.003 weight 1.000 ! spec=noesy_300ms, no=31, id=22, vol=3.464188e+03
    or (segid "    " and resid   10 and name   HN) (segid "    " and resid    9 and name   HA)
    or (segid "    " and resid   10 and name   HN) (segid "    " and resid   11 and name   HA)
assign (segid "    " and resid   10 and name   HN) (segid "    " and resid    9 and name  HB1) 3.498 1.530 1.530 weight 1.000 ! spec=noesy_300ms, no=34, id=24, vol=1.199227e+02
    or (segid "    " and resid    6 and name   HN) (segid "    " and resid    9 and name  HB1)
assign (segid "    " and resid   10 and name   HN) (segid "    " and resid    5 and name   HA) 2.841 1.009 1.009 weight 1.000 ! spec=noesy_300ms, no=41, id=27, vol=4.183325e+02
    or (segid "    " and resid   10 and name   HN) (segid "    " and resid    9 and name   HA)
assign (segid "    " and resid    3 and name   HN) (segid "    " and resid    2 and name   HA) 2.548 0.811 0.811 weight 1.000 ! spec=noesy_300ms, no=45, id=31, vol=8.040831e+02
    or (segid "    " and resid    3 and name   HN) (segid "    " and resid    3 and name   HA)
    or (segid "    " and resid    7 and name   HA) (segid "    " and resid    8 and name   HN)
assign (segid "    " and resid    5 and name  HB2) (segid "    " and resid    5 and name   HA) 2.515 0.791 0.791 weight 1.000 ! spec=noesy_300ms, no=63, id=45, vol=8.685969e+02
    or (segid "    " and resid    9 and name  HD2) (segid "    " and resid    5 and name   HA)
assign (segid "    " and resid    4 and name  HD2) (segid "    " and resid    4 and name  HG1) 2.073 0.537 0.537 weight 1.000 ! spec=noesy_300ms, no=68, id=50, vol=2.767464e+03
    or (segid "    " and resid    4 and name  HD1) (segid "    " and resid    4 and name  HG1)
assign (segid "    " and resid    1 and name  HB2) (segid "    " and resid    1 and name  HB1) 1.685 0.355 0.355 weight 1.000 ! spec=noesy_300ms, no=79, id=57, vol=9.596941e+03
    or (segid "    " and resid    8 and name  HB1) (segid "    " and resid    8 and name  HB2)
assign (segid "    " and resid    4 and name  HB2) (segid "    " and resid    4 and name  HG2) 1.745 0.381 0.381 weight 1.000 ! spec=noesy_300ms, no=95, id=66, vol=7.787260e+03
    or (segid "    " and resid    7 and name  HB2) (segid "    " and resid    7 and name  HG1)
assign (segid "    " and resid    4 and name   HA) (segid "    " and resid    4 and name  HG2) 3.202 1.281 1.281 weight 1.000 ! spec=noesy_300ms, no=99, id=69, vol=2.040962e+02
    or (segid "    " and resid    7 and name  HG1) (segid "    " and resid    7 and name   HA)
assign (segid "    " and resid    4 and name   HA) (segid "    " and resid    4 and name  HB2) 2.449 0.750 0.750 weight 1.000 ! spec=noesy_300ms, no=101, id=71, vol=1.019370e+03
    or (segid "    " and resid    7 and name   HA) (segid "    " and resid    7 and name  HB2)
assign (segid "    " and resid    9 and name  HB2) (segid "    " and resid    3 and name   HA) 2.871 1.030 1.030 weight 1.000 ! spec=noesy_300ms, no=102, id=72, vol=3.922826e+02
    or (segid "    " and resid    9 and name  HB2) (segid "    " and resid    9 and name   HA)
assign (segid "    " and resid    3 and name HG12) (segid "    " and resid    3 and name   HB) 2.608 0.850 0.850 weight 1.000 ! spec=noesy_300ms, no=115, id=83, vol=6.992753e+02
    or (segid "    " and resid    3 and name HG11) (segid "    " and resid    3 and name   HB)
    or (segid "    " and resid    3 and name HG13) (segid "    " and resid    3 and name   HB)
    or (segid "    " and resid    3 and name   HB) (segid "    " and resid    3 and name HG22)
    or (segid "    " and resid    3 and name   HB) (segid "    " and resid    3 and name HG21)
    or (segid "    " and resid    3 and name   HB) (segid "    " and resid    3 and name HG23)
assign (segid "    " and resid    6 and name   HN) (segid "    " and resid    4 and name   HA) 2.753 0.948 0.948 weight 1.000 ! spec=noesy_50ms, no=11, id=93, vol=3.416195e+02
    or (segid "    " and resid   10 and name   HN) (segid "    " and resid    3 and name   HA)
    or (segid "    " and resid   10 and name   HN) (segid "    " and resid    9 and name   HA)
    or (segid "    " and resid   10 and name   HN) (segid "    " and resid   11 and name   HA)
assign (segid "    " and resid    8 and name  HB2) (segid "    " and resid    8 and name   HA) 2.747 0.943 0.943 weight 1.000 ! spec=noesy_50ms, no=12, id=94, vol=3.466804e+02
    or (segid "    " and resid   12 and name  HB2) (segid "    " and resid    8 and name   HA)
assign (segid "    " and resid    5 and name   HN) (segid "    " and resid    3 and name   HA) 3.037 1.153 1.153 weight 1.000 ! spec=noesy_50ms, no=16, id=98, vol=1.895717e+02
    or (segid "    " and resid    5 and name   HN) (segid "    " and resid    5 and name   HA)
assign (segid "    " and resid    2 and name   HA) (segid "    " and resid    2 and name  HB1) 3.064 1.174 1.174 weight 1.000 ! spec=noesy_50ms, no=21, id=103, vol=1.798436e+02
    or (segid "    " and resid    5 and name   HA) (segid "    " and resid    9 and name  HG2)
assign (segid "    " and resid    7 and name   HA) (segid "    " and resid    7 and name  HB2) 3.492 1.525 1.525 weight 1.000 ! spec=noesy_50ms, no=22, id=104, vol=8.201457e+01
    or (segid "    " and resid    9 and name   HA) (segid "    " and resid    9 and name  HB1)
    or (segid "    " and resid    4 and name   HA) (segid "    " and resid    4 and name  HB2)
assign (segid "    " and resid    6 and name  HA2) (segid "    " and resid   10 and name   HN) 3.835 2.035 2.165 weight 1.000 ! spec=noesy_50ms, no=27, id=109, vol=4.680373e+01
    or (segid "    " and resid   10 and name   HN) (segid "    " and resid    6 and name  HA1)
assign (segid "    " and resid    6 and name   HN) (segid "    " and resid    6 and name  HA1) 3.853 1.856 1.856 weight 1.000 ! spec=noesy_50ms, no=28, id=110, vol=4.546223e+01
    or (segid "    " and resid    6 and name  HA2) (segid "    " and resid    6 and name   HN)
assign (segid "    " and resid    4 and name  HB2) (segid "    " and resid    4 and name  HG1) 2.101 0.552 0.552 weight 1.000 ! spec=noesy_50ms, no=43, id=117, vol=1.728996e+03
    or (segid "    " and resid    9 and name  HG2) (segid "    " and resid    9 and name  HB1)
assign (segid "    " and resid    2 and name  HB2) (segid "    " and resid    2 and name  HG2) 2.522 0.795 0.795 weight 1.000 ! spec=noesy_50ms, no=44, id=118, vol=5.789074e+02
    or (segid "    " and resid    2 and name  HG2) (segid "    " and resid    3 and name   HB)
assign (segid "    " and resid    2 and name   HN) (segid "    " and resid    2 and name  HB2) 3.013 1.135 1.135 weight 1.000 ! spec=noesy_300ms, no=2, id=0, vol=2.935576e+02
assign (segid "    " and resid    2 and name   HN) (segid "    " and resid    2 and name  HB1) 2.590 0.839 0.839 weight 1.000 ! spec=noesy_300ms, no=3, id=1, vol=7.273671e+02
assign (segid "    " and resid    1 and name  HT3) (segid "    " and resid    9 and name  HG1) 3.852 1.855 1.855 weight 1.000 ! spec=noesy_300ms, no=6, id=3, vol=6.726282e+01
    or (segid "    " and resid    1 and name  HT2) (segid "    " and resid    9 and name  HG1)
    or (segid "    " and resid    1 and name  HT1) (segid "    " and resid    9 and name  HG1)
assign (segid "    " and resid    8 and name   HN) (segid "    " and resid    8 and name  HB1) 2.545 0.809 0.809 weight 1.000 ! spec=noesy_300ms, no=12, id=6, vol=8.092684e+02
assign (segid "    " and resid    3 and name   HN) (segid "    " and resid    4 and name  HG2) 2.521 0.795 0.795 weight 1.000 ! spec=noesy_300ms, no=14, id=8, vol=8.558010e+02
assign (segid "    " and resid    3 and name   HN) (segid "    " and resid    4 and name  HG1) 2.652 0.852 3.348 weight 1.000 ! spec=noesy_300ms, no=15, id=9, vol=6.320193e+02
assign (segid "    " and resid    3 and name   HN) (segid "    " and resid    3 and name   HB) 2.397 0.718 0.718 weight 1.000 ! spec=noesy_300ms, no=16, id=10, vol=1.157505e+03
assign (segid "    " and resid    8 and name   HN) (segid "    " and resid    7 and name  HB2) 3.020 1.140 1.140 weight 1.000 ! spec=noesy_300ms, no=17, id=11, vol=2.894280e+02
assign (segid "    " and resid    3 and name   HN) (segid "    " and resid    4 and name   HA) 1.987 0.187 4.013 weight 1.000 ! spec=noesy_300ms, no=18, id=12, vol=3.573560e+03
assign (segid "    " and resid    5 and name   HN) (segid "    " and resid    5 and name   HA) 1.904 0.453 0.453 weight 1.000 ! spec=noesy_300ms, no=20, id=14, vol=4.608203e+03
assign (segid "    " and resid    5 and name   HN) (segid "    " and resid    9 and name  HB2) 2.926 1.070 1.070 weight 1.000 ! spec=noesy_300ms, no=22, id=16, vol=3.503852e+02
assign (segid "    " and resid    5 and name   HN) (segid "    " and resid    9 and name  HG2) 2.630 0.865 0.865 weight 1.000 ! spec=noesy_300ms, no=23, id=17, vol=6.642374e+02
assign (segid "    " and resid    5 and name   HN) (segid "    " and resid    9 and name  HG1) 3.155 1.244 1.244 weight 1.000 ! spec=noesy_300ms, no=24, id=18, vol=2.229964e+02
assign (segid "    " and resid   11 and name   HN) (segid "    " and resid   10 and name   HA) 2.287 0.487 3.713 weight 1.000 ! spec=noesy_300ms, no=26, id=19, vol=1.534114e+03
assign (segid "    " and resid    6 and name   HN) (segid "    " and resid    6 and name  HA1) 2.342 0.686 0.686 weight 1.000 ! spec=noesy_300ms, no=30, id=21, vol=1.330630e+03
assign (segid "    " and resid   10 and name   HN) (segid "    " and resid   10 and name   HA) 3.150 1.240 1.240 weight 1.000 ! spec=noesy_300ms, no=32, id=23, vol=2.249432e+02
assign (segid "    " and resid    6 and name   HN) (segid "    " and resid    4 and name  HG1) 3.067 1.176 1.176 weight 1.000 ! spec=noesy_300ms, no=35, id=25, vol=2.638792e+02
assign (segid "    " and resid   10 and name   HN) (segid "    " and resid   10 and name   HB) 2.289 0.655 0.655 weight 1.000 ! spec=noesy_300ms, no=36, id=26, vol=1.526764e+03
assign (segid "    " and resid    6 and name   HN) (segid "    " and resid    5 and name   HA) 3.263 1.331 1.331 weight 1.000 ! spec=noesy_300ms, no=42, id=28, vol=1.821439e+02
assign (segid "    " and resid    6 and name  HA2) (segid "    " and resid    6 and name   HN) 3.204 1.283 1.283 weight 1.000 ! spec=noesy_300ms, no=49, id=35, vol=2.032237e+02
assign (segid "    " and resid    4 and name   HA) (segid "    " and resid    4 and name  HG2) 3.540 1.566 1.566 weight 1.000 ! spec=noesy_300ms, no=53, id=39, vol=1.117042e+02
assign (segid "    " and resid   10 and name   HA) (segid "    " and resid   10 and name   HB) 3.722 1.732 1.732 weight 1.000 ! spec=noesy_300ms, no=57, id=42, vol=8.263109e+01
assign (segid "    " and resid    6 and name  HA2) (segid "    " and resid    4 and name  HD2) 2.323 0.523 3.677 weight 1.000 ! spec=noesy_300ms, no=61, id=43, vol=1.399511e+03
assign (segid "    " and resid    6 and name  HA1) (segid "    " and resid    4 and name  HD2) 2.336 0.536 3.664 weight 1.000 ! spec=noesy_300ms, no=62, id=44, vol=1.352435e+03
assign (segid "    " and resid    7 and name  HD2) (segid "    " and resid    4 and name  HG1) 2.283 0.652 0.652 weight 1.000 ! spec=noesy_300ms, no=64, id=46, vol=1.551798e+03
assign (segid "    " and resid    4 and name  HD1) (segid "    " and resid    7 and name  HG2) 2.927 1.127 3.073 weight 1.000 ! spec=noesy_300ms, no=69, id=51, vol=3.495643e+02
assign (segid "    " and resid    1 and name  HB1) (segid "    " and resid    1 and name  HT3) 4.568 2.608 2.608 weight 1.000 ! spec=noesy_300ms, no=74, id=54, vol=2.420234e+01
    or (segid "    " and resid    1 and name  HB1) (segid "    " and resid    1 and name  HT2)
    or (segid "    " and resid    1 and name  HB1) (segid "    " and resid    1 and name  HT1)
assign (segid "    " and resid    8 and name  HB1) (segid "    " and resid    8 and name   HA) 4.748 2.818 2.818 weight 1.000 ! spec=noesy_300ms, no=76, id=56, vol=1.917912e+01
assign (segid "    " and resid    1 and name  HT3) (segid "    " and resid    1 and name  HB2) 3.290 1.353 1.353 weight 1.000 ! spec=noesy_300ms, no=83, id=59, vol=1.733638e+02
    or (segid "    " and resid    1 and name  HT2) (segid "    " and resid    1 and name  HB2)
    or (segid "    " and resid    1 and name  HT1) (segid "    " and resid    1 and name  HB2)
assign (segid "    " and resid    9 and name  HB2) (segid "    " and resid    9 and name  HG1) 3.092 1.195 1.195 weight 1.000 ! spec=noesy_300ms, no=90, id=62, vol=2.516661e+02
assign (segid "    " and resid    3 and name   HB) (segid "    " and resid    3 and name HG22) 2.312 0.668 0.668 weight 1.000 ! spec=noesy_300ms, no=97, id=67, vol=1.438318e+03
    or (segid "    " and resid    3 and name   HB) (segid "    " and resid    3 and name HG21)
    or (segid "    " and resid    3 and name   HB) (segid "    " and resid    3 and name HG23)
assign (segid "    " and resid    9 and name  HG1) (segid "    " and resid    9 and name  HD2) 3.349 1.402 1.402 weight 1.000 ! spec=noesy_300ms, no=100, id=70, vol=1.559203e+02
assign (segid "    " and resid   10 and name HG12) (segid "    " and resid   10 and name   HN) 3.628 1.645 1.645 weight 1.000 ! spec=noesy_300ms, no=112, id=80, vol=9.645791e+01
assign (segid "    " and resid   10 and name HG11) (segid "    " and resid   10 and name   HN) 3.203 1.282 1.282 weight 1.000 ! spec=noesy_300ms, no=113, id=81, vol=2.035779e+02
assign (segid "    " and resid   10 and name HG11) (segid "    " and resid   10 and name HD12) 2.082 0.542 0.542 weight 1.000 ! spec=noesy_300ms, no=114, id=82, vol=2.698455e+03
    or (segid "    " and resid   10 and name HG11) (segid "    " and resid   10 and name HD11)
    or (segid "    " and resid   10 and name HG11) (segid "    " and resid   10 and name HD13)
assign (segid "    " and resid    3 and name HG12) (segid "    " and resid    3 and name   HB) 3.501 1.532 1.532 weight 1.000 ! spec=noesy_300ms, no=116, id=84, vol=1.192777e+02
    or (segid "    " and resid    3 and name HG11) (segid "    " and resid    3 and name   HB)
    or (segid "    " and resid    3 and name HG13) (segid "    " and resid    3 and name   HB)
assign (segid "    " and resid    7 and name   HA) (segid "    " and resid    8 and name   HN) 3.038 1.154 1.154 weight 1.000 ! spec=noesy_50ms, no=5, id=87, vol=1.892836e+02
assign (segid "    " and resid    8 and name   HN) (segid "    " and resid    8 and name   HA) 2.870 1.030 1.030 weight 1.000 ! spec=noesy_50ms, no=13, id=95, vol=2.662773e+02
assign (segid "    " and resid   12 and name   HA) (segid "    " and resid   12 and name   HN) 3.495 1.527 1.527 weight 1.000 ! spec=noesy_50ms, no=14, id=96, vol=8.168513e+01
assign (segid "    " and resid    5 and name   HA) (segid "    " and resid   11 and name   HN) 3.009 1.132 1.132 weight 1.000 ! spec=noesy_50ms, no=15, id=97, vol=2.006248e+02
assign (segid "    " and resid    2 and name   HA) (segid "    " and resid    2 and name   HN) 3.848 1.851 1.851 weight 1.000 ! spec=noesy_50ms, no=18, id=100, vol=4.584522e+01
assign (segid "    " and resid   11 and name  HB2) (segid "    " and resid    5 and name   HA) 3.128 1.223 1.223 weight 1.000 ! spec=noesy_50ms, no=19, id=101, vol=1.589802e+02
assign (segid "    " and resid   12 and name   HA) (segid "    " and resid   12 and name  HB2) 3.103 1.204 1.204 weight 1.000 ! spec=noesy_50ms, no=23, id=105, vol=1.666216e+02
assign (segid "    " and resid   12 and name  HB2) (segid "    " and resid    8 and name  HB1) 1.868 0.436 0.436 weight 1.000 ! spec=noesy_50ms, no=37, id=113, vol=3.497857e+03
assign (segid "    " and resid    2 and name  HG2) (segid "    " and resid    3 and name   HB) 2.305 0.664 0.664 weight 1.000 ! spec=noesy_50ms, no=39, id=114, vol=9.930508e+02
assign (segid "    " and resid    4 and name  HB2) (segid "    " and resid    4 and name  HG1) 2.023 0.223 3.977 weight 1.000 ! spec=noesy_50ms, no=42, id=116, vol=2.171745e+03
assign (segid "    " and resid    2 and name  HB2) (segid "    " and resid    2 and name  HG1) 2.387 0.712 0.712 weight 1.000 ! spec=noesy_50ms, no=45, id=119, vol=8.053530e+02
assign (segid "    " and resid    9 and name  HB2) (segid "    " and resid    9 and name  HG2) 1.998 0.499 0.499 weight 1.000 ! spec=noesy_50ms, no=46, id=120, vol=2.341585e+03
assign (segid "    " and resid    4 and name  HG2) (segid "    " and resid    2 and name  HG1) 3.287 1.487 2.713 weight 1.000 ! spec=noesy_50ms, no=47, id=121, vol=1.180716e+02
assign (segid "    " and resid    4 and name  HB2) (segid "    " and resid    4 and name  HG2) 1.797 0.404 0.404 weight 1.000 ! spec=noesy_50ms, no=48, id=122, vol=4.422039e+03
assign (segid "    " and resid   10 and name   HB) (segid "    " and resid   10 and name HG22) 2.310 0.667 0.667 weight 1.000 ! spec=noesy_50ms, no=49, id=123, vol=9.791323e+02
    or (segid "    " and resid   10 and name   HB) (segid "    " and resid   10 and name HG21)
    or (segid "    " and resid   10 and name   HB) (segid "    " and resid   10 and name HG23)
assign (segid "    " and resid   10 and name HG12) (segid "    " and resid   10 and name HG11) 1.746 0.381 0.381 weight 1.000 ! spec=noesy_50ms, no=51, id=125, vol=5.250962e+03

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   HIS   1           HT1      HIS   1  -4.511  -4.048  -4.706
    2    H2   HIS   1           HT2      HIS   1  -4.308  -2.657  -5.646
    3    H3   HIS   1           HT3      HIS   1  -5.781  -2.944  -4.870
    4    HA   HIS   1           HA       HIS   1  -4.753  -2.712  -2.724
    5    HB2  HIS   1           HB2      HIS   1  -2.277  -1.974  -4.307
    6    HB3  HIS   1           HB1      HIS   1  -2.441  -1.880  -2.560
    7    HD1  HIS   1           HD1      HIS   1  -0.802  -3.856  -4.869
    8    HD2  HIS   1           HD2      HIS   1  -3.319  -4.777  -1.691
    9    HE1  HIS   1           HE1      HIS   1  -0.269  -6.231  -4.249
   10    HE2  HIS   1           HE2      HIS   1  -1.918  -6.817  -2.440
   11    H    GLU   2           HN       GLU   2  -5.619  -0.872  -1.968
   12    HA   GLU   2           HA       GLU   2  -5.862   1.343  -3.840
   13    HB2  GLU   2           HB2      GLU   2  -7.861   0.455  -2.604
   14    HB3  GLU   2           HB1      GLU   2  -7.159   1.102  -1.129
   15    HG2  GLU   2           HG2      GLU   2  -8.785   2.645  -1.952
   16    HG3  GLU   2           HG1      GLU   2  -7.181   3.351  -2.150
   17    H    VAL   3           HN       VAL   3  -5.807   1.881  -0.356
   18    HA   VAL   3           HA       VAL   3  -3.161   3.064  -0.519
   19    HB   VAL   3           HB       VAL   3  -4.745   4.769  -1.342
   20   HG11  VAL   3          HG11      VAL   3  -6.704   4.211  -0.059
   21   HG12  VAL   3          HG12      VAL   3  -6.263   5.895   0.215
   22   HG13  VAL   3          HG13      VAL   3  -5.894   4.678   1.435
   23   HG21  VAL   3          HG21      VAL   3  -3.941   6.623   0.066
   24   HG22  VAL   3          HG22      VAL   3  -2.659   5.491  -0.365
   25   HG23  VAL   3          HG23      VAL   3  -3.368   5.448   1.250
   26    HA   PRO   4           HA       PRO   4  -4.305   1.654   3.800
   27    HB2  PRO   4           HB2      PRO   4  -3.326  -0.981   3.608
   28    HB3  PRO   4           HB1      PRO   4  -5.017  -0.485   3.649
   29    HG2  PRO   4           HG2      PRO   4  -3.694  -1.668   1.486
   30    HG3  PRO   4           HG1      PRO   4  -5.274  -0.870   1.446
   31    HD2  PRO   4           HD2      PRO   4  -2.597   0.180   0.650
   32    HD3  PRO   4           HD1      PRO   4  -4.200   0.516  -0.044
   33    H    SER   5           HN       SER   5  -1.677   1.928   1.863
   34    HA   SER   5           HA       SER   5   0.574   1.954   2.044
   35    HB2  SER   5           HB2      SER   5   1.400   3.145   4.115
   36    HB3  SER   5           HB1      SER   5   0.130   3.980   3.226
   37    HG   SER   5           HG       SER   5  -0.921   2.320   5.092
   38    H    GLY   6           HN       GLY   6  -0.247  -0.570   2.400
   39    HA2  GLY   6           HA2      GLY   6   1.661  -1.568   4.390
   40    HA3  GLY   6           HA1      GLY   6   0.016  -2.179   4.412
   41    HA   PRO   7           HA       PRO   7   1.118  -5.291   1.478
   42    HB2  PRO   7           HB2      PRO   7  -1.047  -5.427  -0.141
   43    HB3  PRO   7           HB1      PRO   7  -1.045  -6.043   1.515
   44    HG2  PRO   7           HG2      PRO   7  -2.107  -3.453   0.453
   45    HG3  PRO   7           HG1      PRO   7  -2.828  -4.553   1.643
   46    HD2  PRO   7           HD2      PRO   7  -1.531  -2.288   2.354
   47    HD3  PRO   7           HD1      PRO   7  -1.521  -3.748   3.362
   48    H    ASN   8           HN       ASN   8   2.635  -3.467   0.754
   49    HA   ASN   8           HA       ASN   8   3.537  -2.050  -0.793
   50    HB2  ASN   8           HB2      ASN   8   4.094  -3.349  -2.919
   51    HB3  ASN   8           HB1      ASN   8   4.653  -4.002  -1.387
   52   HD21  ASN   8          HD21      ASN   8   2.498  -4.404  -4.067
   53   HD22  ASN   8          HD22      ASN   8   2.035  -6.032  -3.714
   54    HA   PRO   9           HA       PRO   9  -0.020  -0.699  -3.398
   55    HB2  PRO   9           HB2      PRO   9  -0.459   1.549  -1.666
   56    HB3  PRO   9           HB1      PRO   9  -1.564   0.216  -2.002
   57    HG2  PRO   9           HG2      PRO   9  -0.384   0.677   0.446
   58    HG3  PRO   9           HG1      PRO   9  -0.993  -0.898  -0.094
   59    HD2  PRO   9           HD2      PRO   9   1.815   0.147  -0.082
   60    HD3  PRO   9           HD1      PRO   9   1.211  -1.478   0.320
   61    H    ILE  10           HN       ILE  10   1.638   1.680  -1.380
   62    HA   ILE  10           HA       ILE  10   3.344   2.431  -3.652
   63    HB   ILE  10           HB       ILE  10   2.053   4.342  -1.687
   64   HG12  ILE  10          HG12      ILE  10   1.803   4.116  -4.696
   65   HG13  ILE  10          HG11      ILE  10   0.581   3.621  -3.530
   66   HG21  ILE  10          HG21      ILE  10   4.071   4.901  -3.861
   67   HG22  ILE  10          HG22      ILE  10   4.362   4.987  -2.123
   68   HG23  ILE  10          HG23      ILE  10   3.244   6.117  -2.888
   69   HD11  ILE  10          HD11      ILE  10   1.575   6.426  -3.972
   70   HD12  ILE  10          HD12      ILE  10   0.358   5.940  -2.791
   71   HD13  ILE  10          HD13      ILE  10   0.035   5.764  -4.516
   72    H    SER  11           HN       SER  11   2.798   2.372  -0.188
   73    HA   SER  11           HA       SER  11   5.498   2.808   0.574
   74    HB2  SER  11           HB2      SER  11   3.495   1.350   2.270
   75    HB3  SER  11           HB1      SER  11   4.709   2.538   2.752
   76    HG   SER  11           HG       SER  11   3.419   4.143   2.153
   77    H    ASN  12           HN       ASN  12   6.785   1.332  -0.570
   78    HA   ASN  12           HA       ASN  12   6.932  -1.275   0.683
   79    HB2  ASN  12           HB2      ASN  12   5.459  -1.775  -1.205
   80    HB3  ASN  12           HB1      ASN  12   6.599  -1.019  -2.317
   81   HD21  ASN  12          HD21      ASN  12   8.481  -2.102  -2.858
   82   HD22  ASN  12          HD22      ASN  12   8.718  -3.779  -2.514
  Start of MODEL    2
    1    H1   HIS   1           HT1      HIS   1  -5.524  -2.983  -0.723
    2    H2   HIS   1           HT2      HIS   1  -6.330  -3.716  -2.015
    3    H3   HIS   1           HT3      HIS   1  -6.223  -4.509  -0.528
    4    HA   HIS   1           HA       HIS   1  -8.412  -3.600  -0.845
    5    HB2  HIS   1           HB2      HIS   1  -7.400  -3.701   1.441
    6    HB3  HIS   1           HB1      HIS   1  -6.874  -2.034   1.241
    7    HD1  HIS   1           HD1      HIS   1  -9.867  -4.117   1.984
    8    HD2  HIS   1           HD2      HIS   1  -8.946  -0.107   1.388
    9    HE1  HIS   1           HE1      HIS   1 -11.884  -2.836   2.765
   10    HE2  HIS   1           HE2      HIS   1 -11.270  -0.409   2.487
   11    H    GLU   2           HN       GLU   2  -5.989  -0.978  -0.629
   12    HA   GLU   2           HA       GLU   2  -7.122   0.412  -2.823
   13    HB2  GLU   2           HB2      GLU   2  -8.819   0.924  -1.061
   14    HB3  GLU   2           HB1      GLU   2  -7.556   1.712  -0.132
   15    HG2  GLU   2           HG2      GLU   2  -8.734   3.411  -1.248
   16    HG3  GLU   2           HG1      GLU   2  -7.198   3.231  -2.095
   17    H    VAL   3           HN       VAL   3  -5.865   2.081   0.008
   18    HA   VAL   3           HA       VAL   3  -3.152   2.015  -0.992
   19    HB   VAL   3           HB       VAL   3  -4.268   3.802  -2.268
   20   HG11  VAL   3          HG11      VAL   3  -4.661   5.140   0.396
   21   HG12  VAL   3          HG12      VAL   3  -5.919   4.535  -0.680
   22   HG13  VAL   3          HG13      VAL   3  -4.915   5.897  -1.177
   23   HG21  VAL   3          HG21      VAL   3  -2.167   4.795  -0.348
   24   HG22  VAL   3          HG22      VAL   3  -2.588   5.541  -1.888
   25   HG23  VAL   3          HG23      VAL   3  -1.874   3.929  -1.856
   26    HA   PRO   4           HA       PRO   4  -3.809   2.588   3.619
   27    HB2  PRO   4           HB2      PRO   4  -3.468  -0.103   4.322
   28    HB3  PRO   4           HB1      PRO   4  -5.005   0.744   4.158
   29    HG2  PRO   4           HG2      PRO   4  -4.051  -1.357   2.533
   30    HG3  PRO   4           HG1      PRO   4  -5.484  -0.346   2.254
   31    HD2  PRO   4           HD2      PRO   4  -2.767  -0.155   1.071
   32    HD3  PRO   4           HD1      PRO   4  -4.342   0.282   0.376
   33    H    SER   5           HN       SER   5  -1.370   1.910   1.665
   34    HA   SER   5           HA       SER   5   0.880   1.670   1.767
   35    HB2  SER   5           HB2      SER   5   0.539   2.748   4.578
   36    HB3  SER   5           HB1      SER   5   2.024   2.762   3.626
   37    HG   SER   5           HG       SER   5  -0.150   4.431   3.522
   38    H    GLY   6           HN       GLY   6  -0.788  -0.579   2.568
   39    HA2  GLY   6           HA2      GLY   6   0.845  -1.887   4.615
   40    HA3  GLY   6           HA1      GLY   6  -0.729  -2.427   4.060
   41    HA   PRO   7           HA       PRO   7   1.368  -5.436   1.565
   42    HB2  PRO   7           HB2      PRO   7  -0.907  -5.355  -0.276
   43    HB3  PRO   7           HB1      PRO   7  -0.341  -6.678   0.746
   44    HG2  PRO   7           HG2      PRO   7  -2.623  -5.351   1.268
   45    HG3  PRO   7           HG1      PRO   7  -1.586  -5.990   2.555
   46    HD2  PRO   7           HD2      PRO   7  -1.852  -3.178   1.553
   47    HD3  PRO   7           HD1      PRO   7  -1.678  -3.778   3.215
   48    H    ASN   8           HN       ASN   8   2.443  -3.080   1.003
   49    HA   ASN   8           HA       ASN   8   3.513  -1.807  -0.539
   50    HB2  ASN   8           HB2      ASN   8   4.482  -4.054  -0.975
   51    HB3  ASN   8           HB1      ASN   8   3.294  -4.286  -2.255
   52   HD21  ASN   8          HD21      ASN   8   6.163  -2.608  -1.271
   53   HD22  ASN   8          HD22      ASN   8   6.587  -1.988  -2.825
   54    HA   PRO   9           HA       PRO   9  -0.019  -0.673  -3.269
   55    HB2  PRO   9           HB2      PRO   9  -0.862   1.407  -1.509
   56    HB3  PRO   9           HB1      PRO   9  -1.740  -0.069  -1.917
   57    HG2  PRO   9           HG2      PRO   9  -0.717   0.534   0.586
   58    HG3  PRO   9           HG1      PRO   9  -1.135  -1.093   0.022
   59    HD2  PRO   9           HD2      PRO   9   1.540   0.245   0.149
   60    HD3  PRO   9           HD1      PRO   9   1.104  -1.444   0.500
   61    H    ILE  10           HN       ILE  10   1.295   1.757  -1.032
   62    HA   ILE  10           HA       ILE  10   2.551   3.098  -3.330
   63    HB   ILE  10           HB       ILE  10   0.739   4.412  -2.307
   64   HG12  ILE  10          HG12      ILE  10   3.474   5.585  -1.758
   65   HG13  ILE  10          HG11      ILE  10   2.684   5.552  -3.331
   66   HG21  ILE  10          HG21      ILE  10   2.422   4.321   0.188
   67   HG22  ILE  10          HG22      ILE  10   0.851   3.554  -0.045
   68   HG23  ILE  10          HG23      ILE  10   0.982   5.313  -0.040
   69   HD11  ILE  10          HD11      ILE  10   1.672   6.990  -0.891
   70   HD12  ILE  10          HD12      ILE  10   0.915   6.983  -2.484
   71   HD13  ILE  10          HD13      ILE  10   2.497   7.730  -2.263
   72    H    SER  11           HN       SER  11   2.989   1.646  -0.255
   73    HA   SER  11           HA       SER  11   5.849   1.834  -0.451
   74    HB2  SER  11           HB2      SER  11   4.461   3.015   1.974
   75    HB3  SER  11           HB1      SER  11   6.201   2.876   1.734
   76    HG   SER  11           HG       SER  11   5.326   4.152  -0.362
   77    H    ASN  12           HN       ASN  12   6.868   0.195   0.735
   78    HA   ASN  12           HA       ASN  12   5.658  -1.057   2.975
   79    HB2  ASN  12           HB2      ASN  12   4.343  -2.199   1.213
   80    HB3  ASN  12           HB1      ASN  12   5.837  -2.783   0.489
   81   HD21  ASN  12          HD21      ASN  12   5.405  -4.936   0.798
   82   HD22  ASN  12          HD22      ASN  12   5.346  -5.677   2.359
  Start of MODEL    3
    1    H1   HIS   1           HT1      HIS   1  -7.235  -0.160   2.831
    2    H2   HIS   1           HT2      HIS   1  -8.703   0.659   3.014
    3    H3   HIS   1           HT3      HIS   1  -7.549   1.231   1.923
    4    HA   HIS   1           HA       HIS   1  -8.943  -1.365   1.714
    5    HB2  HIS   1           HB2      HIS   1  -9.508   1.317   0.523
    6    HB3  HIS   1           HB1      HIS   1  -9.808  -0.113  -0.452
    7    HD1  HIS   1           HD1      HIS   1 -12.261  -0.421  -0.428
    8    HD2  HIS   1           HD2      HIS   1 -10.780   0.482   3.348
    9    HE1  HIS   1           HE1      HIS   1 -14.232  -0.567   1.122
   10    HE2  HIS   1           HE2      HIS   1 -13.319   0.008   3.399
   11    H    GLU   2           HN       GLU   2  -7.644   0.949  -0.633
   12    HA   GLU   2           HA       GLU   2  -6.205  -1.291  -1.862
   13    HB2  GLU   2           HB2      GLU   2  -6.185   0.152  -3.889
   14    HB3  GLU   2           HB1      GLU   2  -7.801  -0.241  -3.322
   15    HG2  GLU   2           HG2      GLU   2  -7.901   1.966  -2.212
   16    HG3  GLU   2           HG1      GLU   2  -6.332   2.353  -2.916
   17    H    VAL   3           HN       VAL   3  -5.736   1.806  -0.374
   18    HA   VAL   3           HA       VAL   3  -2.854   1.532  -0.770
   19    HB   VAL   3           HB       VAL   3  -3.643   3.100  -2.453
   20   HG11  VAL   3          HG11      VAL   3  -4.714   4.738  -0.171
   21   HG12  VAL   3          HG12      VAL   3  -5.657   3.913  -1.412
   22   HG13  VAL   3          HG13      VAL   3  -4.614   5.265  -1.851
   23   HG21  VAL   3          HG21      VAL   3  -2.195   5.016  -1.910
   24   HG22  VAL   3          HG22      VAL   3  -1.431   3.468  -1.557
   25   HG23  VAL   3          HG23      VAL   3  -2.093   4.442  -0.246
   26    HA   PRO   4           HA       PRO   4  -3.860   2.683   3.599
   27    HB2  PRO   4           HB2      PRO   4  -3.685   0.070   4.610
   28    HB3  PRO   4           HB1      PRO   4  -5.174   0.934   4.227
   29    HG2  PRO   4           HG2      PRO   4  -4.227  -1.362   2.923
   30    HG3  PRO   4           HG1      PRO   4  -5.506  -0.275   2.345
   31    HD2  PRO   4           HD2      PRO   4  -2.603  -0.330   1.620
   32    HD3  PRO   4           HD1      PRO   4  -4.024  -0.038   0.587
   33    H    SER   5           HN       SER   5  -1.311   2.142   1.967
   34    HA   SER   5           HA       SER   5   0.909   1.738   2.199
   35    HB2  SER   5           HB2      SER   5   0.286   2.951   4.896
   36    HB3  SER   5           HB1      SER   5   1.923   2.683   4.296
   37    HG   SER   5           HG       SER   5   1.620   4.630   3.528
   38    H    GLY   6           HN       GLY   6  -0.242  -0.579   2.328
   39    HA2  GLY   6           HA2      GLY   6   1.125  -1.940   4.535
   40    HA3  GLY   6           HA1      GLY   6  -0.552  -2.316   4.183
   41    HA   PRO   7           HA       PRO   7   0.862  -5.376   1.310
   42    HB2  PRO   7           HB2      PRO   7  -1.384  -4.849  -0.469
   43    HB3  PRO   7           HB1      PRO   7  -1.086  -6.256   0.553
   44    HG2  PRO   7           HG2      PRO   7  -3.070  -4.495   1.068
   45    HG3  PRO   7           HG1      PRO   7  -2.198  -5.349   2.355
   46    HD2  PRO   7           HD2      PRO   7  -1.828  -2.545   1.352
   47    HD3  PRO   7           HD1      PRO   7  -1.864  -3.146   3.024
   48    H    ASN   8           HN       ASN   8   2.334  -3.289   0.900
   49    HA   ASN   8           HA       ASN   8   3.326  -1.775  -0.481
   50    HB2  ASN   8           HB2      ASN   8   4.245  -2.883  -2.563
   51    HB3  ASN   8           HB1      ASN   8   4.629  -3.649  -1.031
   52   HD21  ASN   8          HD21      ASN   8   3.740  -5.656  -0.558
   53   HD22  ASN   8          HD22      ASN   8   3.001  -6.646  -1.768
   54    HA   PRO   9           HA       PRO   9  -0.153  -0.636  -3.335
   55    HB2  PRO   9           HB2      PRO   9  -0.705   1.648  -1.689
   56    HB3  PRO   9           HB1      PRO   9  -1.774   0.296  -2.058
   57    HG2  PRO   9           HG2      PRO   9  -0.693   0.847   0.430
   58    HG3  PRO   9           HG1      PRO   9  -1.350  -0.716  -0.074
   59    HD2  PRO   9           HD2      PRO   9   1.481   0.178   0.147
   60    HD3  PRO   9           HD1      PRO   9   0.781  -1.435   0.392
   61    H    ILE  10           HN       ILE  10   1.644   1.634  -1.286
   62    HA   ILE  10           HA       ILE  10   3.141   2.518  -3.655
   63    HB   ILE  10           HB       ILE  10   2.038   4.399  -1.554
   64   HG12  ILE  10          HG12      ILE  10   1.402   4.157  -4.504
   65   HG13  ILE  10          HG11      ILE  10   0.335   3.687  -3.186
   66   HG21  ILE  10          HG21      ILE  10   4.259   5.057  -2.274
   67   HG22  ILE  10          HG22      ILE  10   3.053   6.171  -2.916
   68   HG23  ILE  10          HG23      ILE  10   3.766   4.944  -3.963
   69   HD11  ILE  10          HD11      ILE  10  -0.279   5.841  -4.159
   70   HD12  ILE  10          HD12      ILE  10   1.305   6.482  -3.725
   71   HD13  ILE  10          HD13      ILE  10   0.175   5.990  -2.462
   72    H    SER  11           HN       SER  11   2.890   2.745  -0.118
   73    HA   SER  11           HA       SER  11   5.675   3.033   0.317
   74    HB2  SER  11           HB2      SER  11   3.611   1.956   2.250
   75    HB3  SER  11           HB1      SER  11   5.146   2.732   2.648
   76    HG   SER  11           HG       SER  11   4.208   4.601   1.435
   77    H    ASN  12           HN       ASN  12   6.831   1.443  -0.720
   78    HA   ASN  12           HA       ASN  12   6.664  -1.212   0.511
   79    HB2  ASN  12           HB2      ASN  12   5.593  -1.552  -1.606
   80    HB3  ASN  12           HB1      ASN  12   6.840  -0.639  -2.454
   81   HD21  ASN  12          HD21      ASN  12   8.760  -1.629  -2.962
   82   HD22  ASN  12          HD22      ASN  12   9.026  -3.327  -2.774
  Start of MODEL    4
    1    H1   HIS   1           HT1      HIS   1  -5.574  -5.897  -0.380
    2    H2   HIS   1           HT2      HIS   1  -5.355  -4.303   0.130
    3    H3   HIS   1           HT3      HIS   1  -4.967  -4.742  -1.453
    4    HA   HIS   1           HA       HIS   1  -7.266  -5.216  -1.930
    5    HB2  HIS   1           HB2      HIS   1  -7.657  -4.317   0.925
    6    HB3  HIS   1           HB1      HIS   1  -8.968  -4.371  -0.246
    7    HD1  HIS   1           HD1      HIS   1  -7.534  -6.337   2.343
    8    HD2  HIS   1           HD2      HIS   1  -9.128  -7.171  -1.404
    9    HE1  HIS   1           HE1      HIS   1  -8.110  -8.784   2.383
   10    HE2  HIS   1           HE2      HIS   1  -8.986  -9.287   0.073
   11    H    GLU   2           HN       GLU   2  -6.399  -2.441   0.158
   12    HA   GLU   2           HA       GLU   2  -7.128  -0.699  -2.100
   13    HB2  GLU   2           HB2      GLU   2  -8.638  -0.667  -0.021
   14    HB3  GLU   2           HB1      GLU   2  -7.294   0.116   0.801
   15    HG2  GLU   2           HG2      GLU   2  -7.361   1.951  -0.817
   16    HG3  GLU   2           HG1      GLU   2  -8.696   1.155  -1.655
   17    H    VAL   3           HN       VAL   3  -6.063   1.411   0.044
   18    HA   VAL   3           HA       VAL   3  -3.231   1.128  -0.674
   19    HB   VAL   3           HB       VAL   3  -4.817   3.665  -1.138
   20   HG11  VAL   3          HG11      VAL   3  -2.452   4.043  -0.641
   21   HG12  VAL   3          HG12      VAL   3  -2.814   4.433  -2.322
   22   HG13  VAL   3          HG13      VAL   3  -1.997   2.922  -1.924
   23   HG21  VAL   3          HG21      VAL   3  -5.523   1.982  -2.739
   24   HG22  VAL   3          HG22      VAL   3  -3.844   1.658  -3.168
   25   HG23  VAL   3          HG23      VAL   3  -4.562   3.226  -3.537
   26    HA   PRO   4           HA       PRO   4  -3.758   2.947   3.563
   27    HB2  PRO   4           HB2      PRO   4  -3.627   0.578   5.008
   28    HB3  PRO   4           HB1      PRO   4  -5.118   1.378   4.510
   29    HG2  PRO   4           HG2      PRO   4  -4.170  -1.143   3.629
   30    HG3  PRO   4           HG1      PRO   4  -5.553  -0.232   2.989
   31    HD2  PRO   4           HD2      PRO   4  -2.745  -0.373   1.980
   32    HD3  PRO   4           HD1      PRO   4  -4.271  -0.238   1.073
   33    H    SER   5           HN       SER   5  -1.396   2.260   1.859
   34    HA   SER   5           HA       SER   5   0.836   1.856   1.924
   35    HB2  SER   5           HB2      SER   5   0.474   3.095   4.661
   36    HB3  SER   5           HB1      SER   5   2.032   2.859   3.868
   37    HG   SER   5           HG       SER   5   1.219   4.966   3.523
   38    H    GLY   6           HN       GLY   6  -0.513  -0.417   2.341
   39    HA2  GLY   6           HA2      GLY   6   1.049  -1.761   4.445
   40    HA3  GLY   6           HA1      GLY   6  -0.628  -2.168   4.119
   41    HA   PRO   7           HA       PRO   7   0.717  -5.278   1.284
   42    HB2  PRO   7           HB2      PRO   7  -1.262  -5.238  -0.564
   43    HB3  PRO   7           HB1      PRO   7  -1.472  -5.916   1.054
   44    HG2  PRO   7           HG2      PRO   7  -2.263  -3.221   0.011
   45    HG3  PRO   7           HG1      PRO   7  -3.187  -4.337   1.036
   46    HD2  PRO   7           HD2      PRO   7  -1.891  -2.212   2.062
   47    HD3  PRO   7           HD1      PRO   7  -2.026  -3.745   2.946
   48    H    ASN   8           HN       ASN   8   2.382  -3.491   0.810
   49    HA   ASN   8           HA       ASN   8   3.542  -2.089  -0.563
   50    HB2  ASN   8           HB2      ASN   8   4.320  -3.252  -2.611
   51    HB3  ASN   8           HB1      ASN   8   4.426  -4.226  -1.156
   52   HD21  ASN   8          HD21      ASN   8   3.021  -3.874  -4.265
   53   HD22  ASN   8          HD22      ASN   8   2.196  -5.393  -4.311
   54    HA   PRO   9           HA       PRO   9   0.120  -0.480  -3.305
   55    HB2  PRO   9           HB2      PRO   9  -0.419   1.668  -1.468
   56    HB3  PRO   9           HB1      PRO   9  -1.502   0.370  -1.970
   57    HG2  PRO   9           HG2      PRO   9  -0.504   0.641   0.573
   58    HG3  PRO   9           HG1      PRO   9  -1.038  -0.897  -0.127
   59    HD2  PRO   9           HD2      PRO   9   1.741   0.194   0.158
   60    HD3  PRO   9           HD1      PRO   9   1.147  -1.463   0.413
   61    H    ILE  10           HN       ILE  10   1.510   1.984  -1.155
   62    HA   ILE  10           HA       ILE  10   3.255   2.852  -3.371
   63    HB   ILE  10           HB       ILE  10   2.054   4.804  -1.399
   64   HG12  ILE  10          HG12      ILE  10   1.031   4.128  -4.171
   65   HG13  ILE  10          HG11      ILE  10   0.214   3.740  -2.661
   66   HG21  ILE  10          HG21      ILE  10   2.686   6.455  -3.102
   67   HG22  ILE  10          HG22      ILE  10   3.333   5.160  -4.111
   68   HG23  ILE  10          HG23      ILE  10   4.080   5.522  -2.555
   69   HD11  ILE  10          HD11      ILE  10   0.791   6.513  -3.676
   70   HD12  ILE  10          HD12      ILE  10  -0.074   6.105  -2.194
   71   HD13  ILE  10          HD13      ILE  10  -0.761   5.682  -3.761
   72    H    SER  11           HN       SER  11   3.467   1.125  -0.956
   73    HA   SER  11           HA       SER  11   5.996   2.085  -0.006
   74    HB2  SER  11           HB2      SER  11   4.437   3.281   1.501
   75    HB3  SER  11           HB1      SER  11   3.711   1.743   1.959
   76    HG   SER  11           HG       SER  11   6.356   2.642   2.459
   77    H    ASN  12           HN       ASN  12   7.229   0.337  -0.027
   78    HA   ASN  12           HA       ASN  12   6.188  -2.203   0.947
   79    HB2  ASN  12           HB2      ASN  12   7.053  -3.433  -1.005
   80    HB3  ASN  12           HB1      ASN  12   5.768  -2.322  -1.456
   81   HD21  ASN  12          HD21      ASN  12   9.135  -3.072  -1.721
   82   HD22  ASN  12          HD22      ASN  12   9.510  -1.910  -2.946
  Start of MODEL    5
    1    H1   HIS   1           HT1      HIS   1  -4.993  -3.071  -1.122
    2    H2   HIS   1           HT2      HIS   1  -4.389  -3.479  -2.645
    3    H3   HIS   1           HT3      HIS   1  -5.214  -4.633  -1.729
    4    HA   HIS   1           HA       HIS   1  -6.610  -3.824  -3.477
    5    HB2  HIS   1           HB2      HIS   1  -7.626  -4.449  -1.315
    6    HB3  HIS   1           HB1      HIS   1  -7.472  -2.789  -0.769
    7    HD1  HIS   1           HD1      HIS   1  -9.449  -4.952  -3.123
    8    HD2  HIS   1           HD2      HIS   1  -9.445  -1.049  -1.682
    9    HE1  HIS   1           HE1      HIS   1 -11.650  -3.963  -3.830
   10    HE2  HIS   1           HE2      HIS   1 -11.589  -1.580  -3.019
   11    H    GLU   2           HN       GLU   2  -6.500  -1.068  -1.170
   12    HA   GLU   2           HA       GLU   2  -6.575   0.662  -3.541
   13    HB2  GLU   2           HB2      GLU   2  -8.484   0.850  -1.961
   14    HB3  GLU   2           HB1      GLU   2  -7.365   1.375  -0.714
   15    HG2  GLU   2           HG2      GLU   2  -8.482   3.278  -1.664
   16    HG3  GLU   2           HG1      GLU   2  -6.772   3.319  -2.090
   17    H    VAL   3           HN       VAL   3  -5.678   1.857  -0.353
   18    HA   VAL   3           HA       VAL   3  -2.868   1.852  -0.970
   19    HB   VAL   3           HB       VAL   3  -3.803   3.692  -2.328
   20   HG11  VAL   3          HG11      VAL   3  -5.594   4.443  -0.893
   21   HG12  VAL   3          HG12      VAL   3  -4.507   5.778  -1.278
   22   HG13  VAL   3          HG13      VAL   3  -4.426   5.002   0.304
   23   HG21  VAL   3          HG21      VAL   3  -1.873   4.506  -0.162
   24   HG22  VAL   3          HG22      VAL   3  -2.132   5.386  -1.668
   25   HG23  VAL   3          HG23      VAL   3  -1.475   3.751  -1.706
   26    HA   PRO   4           HA       PRO   4  -4.076   2.275   3.571
   27    HB2  PRO   4           HB2      PRO   4  -3.387  -0.477   4.059
   28    HB3  PRO   4           HB1      PRO   4  -4.961   0.299   4.215
   29    HG2  PRO   4           HG2      PRO   4  -4.377  -1.595   2.330
   30    HG3  PRO   4           HG1      PRO   4  -5.637  -0.361   2.153
   31    HD2  PRO   4           HD2      PRO   4  -2.862  -0.406   1.029
   32    HD3  PRO   4           HD1      PRO   4  -4.382   0.107   0.262
   33    H    SER   5           HN       SER   5  -1.447   1.851   1.759
   34    HA   SER   5           HA       SER   5   0.794   1.960   2.021
   35    HB2  SER   5           HB2      SER   5   0.166   3.926   3.419
   36    HB3  SER   5           HB1      SER   5   0.137   2.879   4.836
   37    HG   SER   5           HG       SER   5   2.362   2.434   4.428
   38    H    GLY   6           HN       GLY   6  -0.661  -0.491   2.724
   39    HA2  GLY   6           HA2      GLY   6   1.246  -1.688   4.626
   40    HA3  GLY   6           HA1      GLY   6  -0.380  -2.290   4.338
   41    HA   PRO   7           HA       PRO   7   1.328  -5.191   1.501
   42    HB2  PRO   7           HB2      PRO   7  -0.797  -5.638  -0.118
   43    HB3  PRO   7           HB1      PRO   7  -0.701  -6.256   1.533
   44    HG2  PRO   7           HG2      PRO   7  -2.151  -3.863   0.486
   45    HG3  PRO   7           HG1      PRO   7  -2.677  -5.056   1.683
   46    HD2  PRO   7           HD2      PRO   7  -1.729  -2.607   2.362
   47    HD3  PRO   7           HD1      PRO   7  -1.529  -4.039   3.390
   48    H    ASN   8           HN       ASN   8   2.723  -3.435   0.689
   49    HA   ASN   8           HA       ASN   8   3.558  -1.995  -0.873
   50    HB2  ASN   8           HB2      ASN   8   3.973  -3.179  -3.049
   51    HB3  ASN   8           HB1      ASN   8   4.484  -4.041  -1.608
   52   HD21  ASN   8          HD21      ASN   8   3.421  -5.931  -1.026
   53   HD22  ASN   8          HD22      ASN   8   2.357  -6.764  -2.105
   54    HA   PRO   9           HA       PRO   9  -0.161  -0.459  -3.147
   55    HB2  PRO   9           HB2      PRO   9  -0.766   1.538  -1.219
   56    HB3  PRO   9           HB1      PRO   9  -1.707   0.090  -1.579
   57    HG2  PRO   9           HG2      PRO   9  -0.385   0.593   0.815
   58    HG3  PRO   9           HG1      PRO   9  -0.929  -0.997   0.259
   59    HD2  PRO   9           HD2      PRO   9   1.796   0.232   0.115
   60    HD3  PRO   9           HD1      PRO   9   1.331  -1.452   0.455
   61    H    ILE  10           HN       ILE  10   1.319   1.873  -0.926
   62    HA   ILE  10           HA       ILE  10   2.677   3.139  -3.209
   63    HB   ILE  10           HB       ILE  10   0.831   4.511  -2.166
   64   HG12  ILE  10          HG12      ILE  10   3.617   5.650  -1.876
   65   HG13  ILE  10          HG11      ILE  10   2.716   5.549  -3.384
   66   HG21  ILE  10          HG21      ILE  10   2.675   4.504   0.217
   67   HG22  ILE  10          HG22      ILE  10   1.058   3.804   0.132
   68   HG23  ILE  10          HG23      ILE  10   1.270   5.552   0.023
   69   HD11  ILE  10          HD11      ILE  10   1.021   7.051  -2.463
   70   HD12  ILE  10          HD12      ILE  10   2.625   7.786  -2.469
   71   HD13  ILE  10          HD13      ILE  10   1.945   7.163  -0.966
   72    H    SER  11           HN       SER  11   3.197   1.019  -1.062
   73    HA   SER  11           HA       SER  11   5.671   2.132   0.070
   74    HB2  SER  11           HB2      SER  11   3.951   0.069   1.448
   75    HB3  SER  11           HB1      SER  11   5.234   1.059   2.143
   76    HG   SER  11           HG       SER  11   3.821   2.558   2.519
   77    H    ASN  12           HN       ASN  12   6.697   1.178  -1.807
   78    HA   ASN  12           HA       ASN  12   7.560  -1.499  -1.270
   79    HB2  ASN  12           HB2      ASN  12   7.052  -2.213  -3.709
   80    HB3  ASN  12           HB1      ASN  12   5.769  -2.306  -2.514
   81   HD21  ASN  12          HD21      ASN  12   6.938   0.603  -4.166
   82   HD22  ASN  12          HD22      ASN  12   5.453   0.927  -4.999
  Start of MODEL    6
    1    H1   HIS   1           HT1      HIS   1  -7.530  -5.035   1.000
    2    H2   HIS   1           HT2      HIS   1  -8.707  -4.263   0.066
    3    H3   HIS   1           HT3      HIS   1  -7.693  -3.356   1.067
    4    HA   HIS   1           HA       HIS   1  -5.778  -3.986  -0.248
    5    HB2  HIS   1           HB2      HIS   1  -6.833  -6.165  -0.996
    6    HB3  HIS   1           HB1      HIS   1  -7.800  -5.232  -2.126
    7    HD1  HIS   1           HD1      HIS   1  -6.683  -4.467  -4.286
    8    HD2  HIS   1           HD2      HIS   1  -4.081  -6.355  -1.653
    9    HE1  HIS   1           HE1      HIS   1  -4.587  -4.902  -5.602
   10    HE2  HIS   1           HE2      HIS   1  -3.112  -6.220  -4.045
   11    H    GLU   2           HN       GLU   2  -6.441  -1.649   0.095
   12    HA   GLU   2           HA       GLU   2  -7.324  -0.545  -2.485
   13    HB2  GLU   2           HB2      GLU   2  -8.976  -0.141  -0.689
   14    HB3  GLU   2           HB1      GLU   2  -7.742   0.687   0.244
   15    HG2  GLU   2           HG2      GLU   2  -9.189   2.283  -0.846
   16    HG3  GLU   2           HG1      GLU   2  -7.558   2.388  -1.510
   17    H    VAL   3           HN       VAL   3  -6.187   1.530   0.065
   18    HA   VAL   3           HA       VAL   3  -3.478   1.619  -1.017
   19    HB   VAL   3           HB       VAL   3  -5.141   4.148  -0.874
   20   HG11  VAL   3          HG11      VAL   3  -3.252   5.151  -2.085
   21   HG12  VAL   3          HG12      VAL   3  -2.395   3.612  -2.008
   22   HG13  VAL   3          HG13      VAL   3  -2.758   4.495  -0.525
   23   HG21  VAL   3          HG21      VAL   3  -5.994   2.822  -2.707
   24   HG22  VAL   3          HG22      VAL   3  -4.360   2.563  -3.314
   25   HG23  VAL   3          HG23      VAL   3  -5.062   4.179  -3.337
   26    HA   PRO   4           HA       PRO   4  -3.814   2.629   3.517
   27    HB2  PRO   4           HB2      PRO   4  -3.093   0.055   4.416
   28    HB3  PRO   4           HB1      PRO   4  -4.710   0.757   4.425
   29    HG2  PRO   4           HG2      PRO   4  -3.884  -1.429   2.891
   30    HG3  PRO   4           HG1      PRO   4  -5.360  -0.477   2.653
   31    HD2  PRO   4           HD2      PRO   4  -2.740  -0.290   1.235
   32    HD3  PRO   4           HD1      PRO   4  -4.387  -0.092   0.597
   33    H    SER   5           HN       SER   5  -1.515   1.740   1.361
   34    HA   SER   5           HA       SER   5   0.756   1.709   1.248
   35    HB2  SER   5           HB2      SER   5   0.564   3.232   3.862
   36    HB3  SER   5           HB1      SER   5   1.987   3.133   2.825
   37    HG   SER   5           HG       SER   5  -0.425   4.509   2.433
   38    H    GLY   6           HN       GLY   6  -0.792  -0.346   2.854
   39    HA2  GLY   6           HA2      GLY   6   1.097  -1.262   4.831
   40    HA3  GLY   6           HA1      GLY   6  -0.383  -2.073   4.341
   41    HA   PRO   7           HA       PRO   7   1.990  -4.952   2.037
   42    HB2  PRO   7           HB2      PRO   7   0.392  -5.434  -0.129
   43    HB3  PRO   7           HB1      PRO   7   0.097  -6.093   1.482
   44    HG2  PRO   7           HG2      PRO   7  -1.170  -3.756   0.127
   45    HG3  PRO   7           HG1      PRO   7  -1.903  -4.976   1.182
   46    HD2  PRO   7           HD2      PRO   7  -1.259  -2.475   2.030
   47    HD3  PRO   7           HD1      PRO   7  -1.252  -3.893   3.096
   48    H    ASN   8           HN       ASN   8   0.477  -3.434  -0.773
   49    HA   ASN   8           HA       ASN   8   3.183  -2.898  -1.749
   50    HB2  ASN   8           HB2      ASN   8   2.462  -4.544  -3.142
   51    HB3  ASN   8           HB1      ASN   8   0.782  -4.019  -3.098
   52   HD21  ASN   8          HD21      ASN   8   3.887  -3.609  -4.589
   53   HD22  ASN   8          HD22      ASN   8   3.346  -2.644  -5.918
   54    HA   PRO   9           HA       PRO   9  -0.112   0.408  -3.893
   55    HB2  PRO   9           HB2      PRO   9  -0.737   1.617  -1.291
   56    HB3  PRO   9           HB1      PRO   9  -1.803   1.248  -2.645
   57    HG2  PRO   9           HG2      PRO   9  -1.290  -0.311  -0.256
   58    HG3  PRO   9           HG1      PRO   9  -2.512  -0.573  -1.510
   59    HD2  PRO   9           HD2      PRO   9  -0.416  -2.246  -1.112
   60    HD3  PRO   9           HD1      PRO   9  -1.149  -1.998  -2.707
   61    H    ILE  10           HN       ILE  10   1.044   1.658  -0.775
   62    HA   ILE  10           HA       ILE  10   3.250   2.969  -2.209
   63    HB   ILE  10           HB       ILE  10   1.898   4.194   0.199
   64   HG12  ILE  10          HG12      ILE  10   1.420   4.876  -2.716
   65   HG13  ILE  10          HG11      ILE  10   0.273   4.041  -1.674
   66   HG21  ILE  10          HG21      ILE  10   4.185   4.912  -0.230
   67   HG22  ILE  10          HG22      ILE  10   3.055   6.226  -0.558
   68   HG23  ILE  10          HG23      ILE  10   3.763   5.318  -1.894
   69   HD11  ILE  10          HD11      ILE  10   1.284   6.851  -1.298
   70   HD12  ILE  10          HD12      ILE  10   0.142   6.017  -0.245
   71   HD13  ILE  10          HD13      ILE  10  -0.300   6.383  -1.913
   72    H    SER  11           HN       SER  11   3.862   0.653  -1.400
   73    HA   SER  11           HA       SER  11   5.492   1.007   0.973
   74    HB2  SER  11           HB2      SER  11   3.330   0.178   1.839
   75    HB3  SER  11           HB1      SER  11   3.459  -1.227   0.785
   76    HG   SER  11           HG       SER  11   4.191  -1.789   2.811
   77    H    ASN  12           HN       ASN  12   4.454  -1.126  -1.673
   78    HA   ASN  12           HA       ASN  12   7.137  -2.336  -1.620
   79    HB2  ASN  12           HB2      ASN  12   5.274  -3.950  -1.322
   80    HB3  ASN  12           HB1      ASN  12   4.613  -3.461  -2.882
   81   HD21  ASN  12          HD21      ASN  12   7.146  -5.176  -1.245
   82   HD22  ASN  12          HD22      ASN  12   7.783  -5.981  -2.638
  Start of MODEL    7
    1    H1   HIS   1           HT1      HIS   1  -5.252  -3.278   1.273
    2    H2   HIS   1           HT2      HIS   1  -4.131  -4.037   0.262
    3    H3   HIS   1           HT3      HIS   1  -5.078  -4.960   1.314
    4    HA   HIS   1           HA       HIS   1  -5.925  -5.180  -0.883
    5    HB2  HIS   1           HB2      HIS   1  -7.615  -3.466   0.936
    6    HB3  HIS   1           HB1      HIS   1  -8.236  -4.193  -0.540
    7    HD1  HIS   1           HD1      HIS   1  -8.139  -4.782   2.940
    8    HD2  HIS   1           HD2      HIS   1  -7.730  -7.193  -0.418
    9    HE1  HIS   1           HE1      HIS   1  -8.608  -7.119   3.728
   10    HE2  HIS   1           HE2      HIS   1  -8.518  -8.535   1.649
   11    H    GLU   2           HN       GLU   2  -6.731  -1.811  -0.012
   12    HA   GLU   2           HA       GLU   2  -6.377  -1.133  -2.829
   13    HB2  GLU   2           HB2      GLU   2  -8.509  -0.544  -1.769
   14    HB3  GLU   2           HB1      GLU   2  -7.660   0.431  -0.584
   15    HG2  GLU   2           HG2      GLU   2  -8.624   1.854  -2.232
   16    HG3  GLU   2           HG1      GLU   2  -6.874   1.896  -2.399
   17    H    VAL   3           HN       VAL   3  -6.065   1.293  -0.335
   18    HA   VAL   3           HA       VAL   3  -3.173   1.456  -0.769
   19    HB   VAL   3           HB       VAL   3  -5.006   3.848  -1.101
   20   HG11  VAL   3          HG11      VAL   3  -2.871   4.464  -0.122
   21   HG12  VAL   3          HG12      VAL   3  -2.961   5.032  -1.789
   22   HG13  VAL   3          HG13      VAL   3  -2.012   3.598  -1.396
   23   HG21  VAL   3          HG21      VAL   3  -4.283   3.856  -3.442
   24   HG22  VAL   3          HG22      VAL   3  -5.150   2.377  -3.035
   25   HG23  VAL   3          HG23      VAL   3  -3.394   2.360  -3.169
   26    HA   PRO   4           HA       PRO   4  -4.340   2.382   3.594
   27    HB2  PRO   4           HB2      PRO   4  -3.758  -0.182   4.562
   28    HB3  PRO   4           HB1      PRO   4  -5.361   0.419   4.137
   29    HG2  PRO   4           HG2      PRO   4  -3.983  -1.648   2.831
   30    HG3  PRO   4           HG1      PRO   4  -5.415  -0.791   2.228
   31    HD2  PRO   4           HD2      PRO   4  -2.525  -0.304   1.611
   32    HD3  PRO   4           HD1      PRO   4  -3.938  -0.265   0.527
   33    H    SER   5           HN       SER   5  -1.676   2.179   1.981
   34    HA   SER   5           HA       SER   5   0.567   2.259   2.300
   35    HB2  SER   5           HB2      SER   5  -0.207   4.195   3.719
   36    HB3  SER   5           HB1      SER   5  -0.147   3.125   5.116
   37    HG   SER   5           HG       SER   5   2.071   2.892   4.798
   38    H    GLY   6           HN       GLY   6  -0.219  -0.239   2.371
   39    HA2  GLY   6           HA2      GLY   6   1.208  -1.417   4.658
   40    HA3  GLY   6           HA1      GLY   6  -0.362  -2.033   4.178
   41    HA   PRO   7           HA       PRO   7   1.535  -5.216   1.922
   42    HB2  PRO   7           HB2      PRO   7  -0.435  -4.694  -0.247
   43    HB3  PRO   7           HB1      PRO   7  -0.084  -6.193   0.621
   44    HG2  PRO   7           HG2      PRO   7  -2.285  -4.789   1.155
   45    HG3  PRO   7           HG1      PRO   7  -1.376  -5.594   2.446
   46    HD2  PRO   7           HD2      PRO   7  -1.477  -2.703   1.716
   47    HD3  PRO   7           HD1      PRO   7  -1.351  -3.462   3.315
   48    H    ASN   8           HN       ASN   8   0.382  -3.259  -0.815
   49    HA   ASN   8           HA       ASN   8   3.028  -2.294  -1.380
   50    HB2  ASN   8           HB2      ASN   8   3.208  -3.367  -3.594
   51    HB3  ASN   8           HB1      ASN   8   3.237  -4.522  -2.274
   52   HD21  ASN   8          HD21      ASN   8   2.610  -4.944  -5.068
   53   HD22  ASN   8          HD22      ASN   8   1.004  -5.584  -5.125
   54    HA   PRO   9           HA       PRO   9  -0.240   0.307  -3.442
   55    HB2  PRO   9           HB2      PRO   9  -0.240   2.214  -1.299
   56    HB3  PRO   9           HB1      PRO   9  -1.590   1.235  -1.873
   57    HG2  PRO   9           HG2      PRO   9  -0.390   0.956   0.596
   58    HG3  PRO   9           HG1      PRO   9  -1.327  -0.306  -0.221
   59    HD2  PRO   9           HD2      PRO   9   1.637   0.037  -0.038
   60    HD3  PRO   9           HD1      PRO   9   0.665  -1.451   0.006
   61    H    ILE  10           HN       ILE  10   1.769   1.963  -1.047
   62    HA   ILE  10           HA       ILE  10   3.518   2.911  -3.215
   63    HB   ILE  10           HB       ILE  10   2.159   4.713  -2.163
   64   HG12  ILE  10          HG12      ILE  10   5.127   4.885  -1.597
   65   HG13  ILE  10          HG11      ILE  10   4.357   5.223  -3.142
   66   HG21  ILE  10          HG21      ILE  10   3.684   3.988   0.334
   67   HG22  ILE  10          HG22      ILE  10   1.950   3.797   0.070
   68   HG23  ILE  10          HG23      ILE  10   2.659   5.410   0.139
   69   HD11  ILE  10          HD11      ILE  10   4.919   7.268  -1.967
   70   HD12  ILE  10          HD12      ILE  10   3.943   6.759  -0.589
   71   HD13  ILE  10          HD13      ILE  10   3.171   7.101  -2.137
   72    H    SER  11           HN       SER  11   3.218   0.976  -0.543
   73    HA   SER  11           HA       SER  11   5.983   1.275   0.342
   74    HB2  SER  11           HB2      SER  11   5.124  -0.344   2.173
   75    HB3  SER  11           HB1      SER  11   4.538   1.319   2.197
   76    HG   SER  11           HG       SER  11   3.137  -0.961   1.952
   77    H    ASN  12           HN       ASN  12   6.426   0.288  -1.885
   78    HA   ASN  12           HA       ASN  12   7.065  -2.496  -1.460
   79    HB2  ASN  12           HB2      ASN  12   4.887  -2.780  -2.477
   80    HB3  ASN  12           HB1      ASN  12   5.297  -1.642  -3.761
   81   HD21  ASN  12          HD21      ASN  12   5.856  -4.830  -2.470
   82   HD22  ASN  12          HD22      ASN  12   6.538  -5.506  -3.908
  Start of MODEL    8
    1    H1   HIS   1           HT1      HIS   1  -5.727  -3.254   3.052
    2    H2   HIS   1           HT2      HIS   1  -6.386  -4.471   2.084
    3    H3   HIS   1           HT3      HIS   1  -7.165  -4.016   3.510
    4    HA   HIS   1           HA       HIS   1  -8.277  -3.133   1.565
    5    HB2  HIS   1           HB2      HIS   1  -6.941  -1.122   3.383
    6    HB3  HIS   1           HB1      HIS   1  -8.208  -0.692   2.245
    7    HD1  HIS   1           HD1      HIS   1 -10.618  -1.327   2.862
    8    HD2  HIS   1           HD2      HIS   1  -7.784  -2.634   5.609
    9    HE1  HIS   1           HE1      HIS   1 -11.920  -2.090   4.874
   10    HE2  HIS   1           HE2      HIS   1 -10.178  -2.748   6.573
   11    H    GLU   2           HN       GLU   2  -8.072  -1.008   0.084
   12    HA   GLU   2           HA       GLU   2  -6.212  -1.954  -1.825
   13    HB2  GLU   2           HB2      GLU   2  -7.020  -0.093  -3.253
   14    HB3  GLU   2           HB1      GLU   2  -8.297  -1.106  -2.601
   15    HG2  GLU   2           HG2      GLU   2  -8.909   0.557  -1.013
   16    HG3  GLU   2           HG1      GLU   2  -7.491   1.527  -1.406
   17    H    VAL   3           HN       VAL   3  -6.202   1.060   0.111
   18    HA   VAL   3           HA       VAL   3  -3.443   1.468  -0.763
   19    HB   VAL   3           HB       VAL   3  -4.898   2.674  -2.329
   20   HG11  VAL   3          HG11      VAL   3  -5.743   4.332   0.035
   21   HG12  VAL   3          HG12      VAL   3  -6.757   3.199  -0.854
   22   HG13  VAL   3          HG13      VAL   3  -6.146   4.646  -1.652
   23   HG21  VAL   3          HG21      VAL   3  -3.756   4.844  -2.213
   24   HG22  VAL   3          HG22      VAL   3  -2.657   3.491  -1.948
   25   HG23  VAL   3          HG23      VAL   3  -3.216   4.455  -0.580
   26    HA   PRO   4           HA       PRO   4  -3.937   2.797   3.642
   27    HB2  PRO   4           HB2      PRO   4  -3.512   0.404   4.911
   28    HB3  PRO   4           HB1      PRO   4  -5.105   0.978   4.414
   29    HG2  PRO   4           HG2      PRO   4  -3.650  -1.277   3.393
   30    HG3  PRO   4           HG1      PRO   4  -5.243  -0.683   2.897
   31    HD2  PRO   4           HD2      PRO   4  -2.590  -0.196   1.669
   32    HD3  PRO   4           HD1      PRO   4  -4.203  -0.225   0.919
   33    H    SER   5           HN       SER   5  -1.559   2.100   1.700
   34    HA   SER   5           HA       SER   5   0.697   1.859   1.694
   35    HB2  SER   5           HB2      SER   5   0.534   3.958   3.026
   36    HB3  SER   5           HB1      SER   5   0.508   2.995   4.500
   37    HG   SER   5           HG       SER   5   2.587   2.271   4.021
   38    H    GLY   6           HN       GLY   6  -0.906  -0.354   2.495
   39    HA2  GLY   6           HA2      GLY   6   0.541  -1.632   4.679
   40    HA3  GLY   6           HA1      GLY   6  -0.948  -2.204   3.948
   41    HA   PRO   7           HA       PRO   7   1.277  -5.384   1.962
   42    HB2  PRO   7           HB2      PRO   7  -0.363  -4.946  -0.467
   43    HB3  PRO   7           HB1      PRO   7  -0.182  -6.398   0.520
   44    HG2  PRO   7           HG2      PRO   7  -2.412  -4.926   0.613
   45    HG3  PRO   7           HG1      PRO   7  -1.755  -5.708   2.063
   46    HD2  PRO   7           HD2      PRO   7  -1.627  -2.840   1.230
   47    HD3  PRO   7           HD1      PRO   7  -1.839  -3.538   2.848
   48    H    ASN   8           HN       ASN   8   0.442  -3.465  -0.914
   49    HA   ASN   8           HA       ASN   8   3.100  -2.358  -1.058
   50    HB2  ASN   8           HB2      ASN   8   3.541  -3.282  -3.336
   51    HB3  ASN   8           HB1      ASN   8   3.562  -4.478  -2.047
   52   HD21  ASN   8          HD21      ASN   8   2.003  -6.066  -1.989
   53   HD22  ASN   8          HD22      ASN   8   0.920  -6.364  -3.304
   54    HA   PRO   9           HA       PRO   9  -0.261   0.118  -3.230
   55    HB2  PRO   9           HB2      PRO   9  -0.190   1.967  -0.975
   56    HB3  PRO   9           HB1      PRO   9  -1.579   1.146  -1.690
   57    HG2  PRO   9           HG2      PRO   9  -0.654   0.526   0.769
   58    HG3  PRO   9           HG1      PRO   9  -1.378  -0.686  -0.306
   59    HD2  PRO   9           HD2      PRO   9   1.526  -0.110   0.210
   60    HD3  PRO   9           HD1      PRO   9   0.689  -1.678   0.131
   61    H    ILE  10           HN       ILE  10   1.907   1.775  -0.931
   62    HA   ILE  10           HA       ILE  10   3.226   3.011  -3.247
   63    HB   ILE  10           HB       ILE  10   1.755   4.591  -2.076
   64   HG12  ILE  10          HG12      ILE  10   3.459   6.383  -1.696
   65   HG13  ILE  10          HG11      ILE  10   4.712   5.154  -1.829
   66   HG21  ILE  10          HG21      ILE  10   3.557   4.155   0.292
   67   HG22  ILE  10          HG22      ILE  10   1.866   3.671   0.164
   68   HG23  ILE  10          HG23      ILE  10   2.296   5.382   0.169
   69   HD11  ILE  10          HD11      ILE  10   4.437   6.401  -3.900
   70   HD12  ILE  10          HD12      ILE  10   2.751   5.895  -3.987
   71   HD13  ILE  10          HD13      ILE  10   4.040   4.698  -4.118
   72    H    SER  11           HN       SER  11   3.613   1.602  -0.054
   73    HA   SER  11           HA       SER  11   6.513   2.022  -0.274
   74    HB2  SER  11           HB2      SER  11   4.873   1.759   2.254
   75    HB3  SER  11           HB1      SER  11   6.609   2.058   2.165
   76    HG   SER  11           HG       SER  11   5.919   3.978   0.851
   77    H    ASN  12           HN       ASN  12   6.534   0.018  -1.513
   78    HA   ASN  12           HA       ASN  12   7.715  -1.989   0.000
   79    HB2  ASN  12           HB2      ASN  12   5.357  -2.561   0.646
   80    HB3  ASN  12           HB1      ASN  12   5.018  -2.885  -1.055
   81   HD21  ASN  12          HD21      ASN  12   4.526  -5.041  -0.570
   82   HD22  ASN  12          HD22      ASN  12   5.766  -6.200  -0.248
  Start of MODEL    9
    1    H1   HIS   1           HT1      HIS   1  -3.712  -2.009  -2.655
    2    H2   HIS   1           HT2      HIS   1  -3.015  -1.554  -4.120
    3    H3   HIS   1           HT3      HIS   1  -3.215  -3.190  -3.756
    4    HA   HIS   1           HA       HIS   1  -4.856  -2.463  -5.340
    5    HB2  HIS   1           HB2      HIS   1  -5.992  -3.034  -2.593
    6    HB3  HIS   1           HB1      HIS   1  -6.901  -3.145  -4.094
    7    HD1  HIS   1           HD1      HIS   1  -5.256  -5.240  -1.793
    8    HD2  HIS   1           HD2      HIS   1  -5.405  -5.077  -5.944
    9    HE1  HIS   1           HE1      HIS   1  -4.541  -7.517  -2.587
   10    HE2  HIS   1           HE2      HIS   1  -4.842  -7.451  -5.087
   11    H    GLU   2           HN       GLU   2  -5.668  -0.906  -2.198
   12    HA   GLU   2           HA       GLU   2  -6.654   1.370  -3.767
   13    HB2  GLU   2           HB2      GLU   2  -8.267   0.312  -2.212
   14    HB3  GLU   2           HB1      GLU   2  -7.209   0.719  -0.870
   15    HG2  GLU   2           HG2      GLU   2  -8.884   2.362  -0.887
   16    HG3  GLU   2           HG1      GLU   2  -7.453   3.131  -1.575
   17    H    VAL   3           HN       VAL   3  -5.833   1.750  -0.378
   18    HA   VAL   3           HA       VAL   3  -3.220   2.810  -0.889
   19    HB   VAL   3           HB       VAL   3  -4.784   4.530  -1.768
   20   HG11  VAL   3          HG11      VAL   3  -6.598   4.355  -0.215
   21   HG12  VAL   3          HG12      VAL   3  -5.954   5.996  -0.175
   22   HG13  VAL   3          HG13      VAL   3  -5.559   4.861   1.116
   23   HG21  VAL   3          HG21      VAL   3  -3.007   5.364   0.518
   24   HG22  VAL   3          HG22      VAL   3  -3.634   6.449  -0.722
   25   HG23  VAL   3          HG23      VAL   3  -2.529   5.149  -1.165
   26    HA   PRO   4           HA       PRO   4  -4.254   1.998   3.649
   27    HB2  PRO   4           HB2      PRO   4  -3.348  -0.682   3.724
   28    HB3  PRO   4           HB1      PRO   4  -5.010  -0.117   3.864
   29    HG2  PRO   4           HG2      PRO   4  -3.948  -1.613   1.756
   30    HG3  PRO   4           HG1      PRO   4  -5.498  -0.757   1.764
   31    HD2  PRO   4           HD2      PRO   4  -2.901   0.034   0.553
   32    HD3  PRO   4           HD1      PRO   4  -4.554   0.404   0.025
   33    H    SER   5           HN       SER   5  -1.678   1.713   1.549
   34    HA   SER   5           HA       SER   5   0.575   1.850   1.674
   35    HB2  SER   5           HB2      SER   5  -0.060   3.033   4.386
   36    HB3  SER   5           HB1      SER   5   1.504   3.138   3.577
   37    HG   SER   5           HG       SER   5   0.731   4.812   2.594
   38    H    GLY   6           HN       GLY   6  -0.819  -0.574   2.773
   39    HA2  GLY   6           HA2      GLY   6   1.040  -1.485   4.823
   40    HA3  GLY   6           HA1      GLY   6  -0.409  -2.321   4.288
   41    HA   PRO   7           HA       PRO   7   1.966  -5.237   2.107
   42    HB2  PRO   7           HB2      PRO   7   0.486  -5.528  -0.217
   43    HB3  PRO   7           HB1      PRO   7   0.140  -6.327   1.319
   44    HG2  PRO   7           HG2      PRO   7  -1.078  -3.871   0.139
   45    HG3  PRO   7           HG1      PRO   7  -1.848  -5.176   1.060
   46    HD2  PRO   7           HD2      PRO   7  -1.289  -2.798   2.177
   47    HD3  PRO   7           HD1      PRO   7  -1.163  -4.312   3.095
   48    H    ASN   8           HN       ASN   8   0.735  -3.609  -0.781
   49    HA   ASN   8           HA       ASN   8   3.307  -2.336  -1.234
   50    HB2  ASN   8           HB2      ASN   8   3.383  -3.327  -3.566
   51    HB3  ASN   8           HB1      ASN   8   3.765  -4.413  -2.241
   52   HD21  ASN   8          HD21      ASN   8   2.371  -6.092  -1.753
   53   HD22  ASN   8          HD22      ASN   8   1.093  -6.575  -2.812
   54    HA   PRO   9           HA       PRO   9  -0.320  -0.076  -3.247
   55    HB2  PRO   9           HB2      PRO   9  -0.529   1.719  -0.973
   56    HB3  PRO   9           HB1      PRO   9  -1.783   0.707  -1.695
   57    HG2  PRO   9           HG2      PRO   9  -0.763   0.245   0.779
   58    HG3  PRO   9           HG1      PRO   9  -1.369  -1.050  -0.272
   59    HD2  PRO   9           HD2      PRO   9   1.460  -0.160   0.194
   60    HD3  PRO   9           HD1      PRO   9   0.795  -1.809   0.138
   61    H    ILE  10           HN       ILE  10   1.344   1.897  -0.829
   62    HA   ILE  10           HA       ILE  10   2.864   3.211  -2.979
   63    HB   ILE  10           HB       ILE  10   2.405   4.242  -0.166
   64   HG12  ILE  10          HG12      ILE  10   0.937   4.992  -2.707
   65   HG13  ILE  10          HG11      ILE  10   0.264   4.041  -1.388
   66   HG21  ILE  10          HG21      ILE  10   4.367   5.168  -1.266
   67   HG22  ILE  10          HG22      ILE  10   3.110   6.395  -1.117
   68   HG23  ILE  10          HG23      ILE  10   3.393   5.608  -2.669
   69   HD11  ILE  10          HD11      ILE  10   1.169   6.905  -1.217
   70   HD12  ILE  10          HD12      ILE  10   0.496   5.954   0.107
   71   HD13  ILE  10          HD13      ILE  10  -0.499   6.340  -1.296
   72    H    SER  11           HN       SER  11   3.008   0.986  -0.523
   73    HA   SER  11           HA       SER  11   5.801   1.485   0.148
   74    HB2  SER  11           HB2      SER  11   5.286  -0.383   1.864
   75    HB3  SER  11           HB1      SER  11   4.557   1.203   2.119
   76    HG   SER  11           HG       SER  11   3.256  -0.969   2.106
   77    H    ASN  12           HN       ASN  12   6.273   0.776  -2.113
   78    HA   ASN  12           HA       ASN  12   7.229  -1.921  -1.981
   79    HB2  ASN  12           HB2      ASN  12   6.253  -2.617  -4.178
   80    HB3  ASN  12           HB1      ASN  12   5.069  -2.477  -2.885
   81   HD21  ASN  12          HD21      ASN  12   4.850  -2.379  -5.825
   82   HD22  ASN  12          HD22      ASN  12   4.025  -0.900  -6.179
  Start of MODEL   10
    1    H1   HIS   1           HT1      HIS   1  -5.573  -2.108  -4.487
    2    H2   HIS   1           HT2      HIS   1  -4.300  -2.850  -5.306
    3    H3   HIS   1           HT3      HIS   1  -5.105  -1.540  -6.006
    4    HA   HIS   1           HA       HIS   1  -3.471  -1.446  -3.537
    5    HB2  HIS   1           HB2      HIS   1  -2.935  -0.210  -6.252
    6    HB3  HIS   1           HB1      HIS   1  -1.911  -0.076  -4.831
    7    HD1  HIS   1           HD1      HIS   1  -0.951  -2.564  -3.991
    8    HD2  HIS   1           HD2      HIS   1  -2.169  -2.154  -7.947
    9    HE1  HIS   1           HE1      HIS   1   0.139  -4.454  -5.238
   10    HE2  HIS   1           HE2      HIS   1  -0.715  -4.262  -7.600
   11    H    GLU   2           HN       GLU   2  -5.530  -0.525  -2.638
   12    HA   GLU   2           HA       GLU   2  -6.519   1.898  -3.819
   13    HB2  GLU   2           HB2      GLU   2  -7.983   0.284  -2.612
   14    HB3  GLU   2           HB1      GLU   2  -7.194   0.746  -1.111
   15    HG2  GLU   2           HG2      GLU   2  -9.257   1.929  -1.270
   16    HG3  GLU   2           HG1      GLU   2  -7.941   3.080  -1.496
   17    H    VAL   3           HN       VAL   3  -5.922   1.727  -0.340
   18    HA   VAL   3           HA       VAL   3  -3.677   3.495  -0.432
   19    HB   VAL   3           HB       VAL   3  -5.628   4.927  -1.026
   20   HG11  VAL   3          HG11      VAL   3  -7.143   5.671   0.755
   21   HG12  VAL   3          HG12      VAL   3  -6.472   4.432   1.815
   22   HG13  VAL   3          HG13      VAL   3  -7.339   3.965   0.353
   23   HG21  VAL   3          HG21      VAL   3  -4.143   5.660   1.492
   24   HG22  VAL   3          HG22      VAL   3  -5.005   6.794   0.451
   25   HG23  VAL   3          HG23      VAL   3  -3.600   5.925  -0.165
   26    HA   PRO   4           HA       PRO   4  -4.561   1.530   3.745
   27    HB2  PRO   4           HB2      PRO   4  -3.523  -1.005   3.455
   28    HB3  PRO   4           HB1      PRO   4  -5.225  -0.587   3.252
   29    HG2  PRO   4           HG2      PRO   4  -3.369  -1.460   1.252
   30    HG3  PRO   4           HG1      PRO   4  -5.084  -1.067   1.066
   31    HD2  PRO   4           HD2      PRO   4  -2.705   0.568   0.459
   32    HD3  PRO   4           HD1      PRO   4  -4.358   0.701  -0.179
   33    H    SER   5           HN       SER   5  -1.917   1.948   1.767
   34    HA   SER   5           HA       SER   5   0.339   1.992   1.967
   35    HB2  SER   5           HB2      SER   5   1.073   3.152   4.163
   36    HB3  SER   5           HB1      SER   5   0.014   4.027   3.062
   37    HG   SER   5           HG       SER   5  -1.249   2.473   4.987
   38    H    GLY   6           HN       GLY   6  -0.496  -0.544   2.381
   39    HA2  GLY   6           HA2      GLY   6   1.169  -1.462   4.633
   40    HA3  GLY   6           HA1      GLY   6  -0.336  -2.245   4.190
   41    HA   PRO   7           HA       PRO   7   1.774  -5.420   2.125
   42    HB2  PRO   7           HB2      PRO   7   0.193  -5.546  -0.200
   43    HB3  PRO   7           HB1      PRO   7  -0.056  -6.446   1.298
   44    HG2  PRO   7           HG2      PRO   7  -1.338  -3.927   0.363
   45    HG3  PRO   7           HG1      PRO   7  -2.025  -5.254   1.315
   46    HD2  PRO   7           HD2      PRO   7  -1.372  -2.941   2.466
   47    HD3  PRO   7           HD1      PRO   7  -1.076  -4.485   3.296
   48    H    ASN   8           HN       ASN   8   0.632  -3.610  -0.716
   49    HA   ASN   8           HA       ASN   8   3.260  -2.552  -1.209
   50    HB2  ASN   8           HB2      ASN   8   3.574  -3.671  -3.380
   51    HB3  ASN   8           HB1      ASN   8   3.558  -4.809  -2.041
   52   HD21  ASN   8          HD21      ASN   8   3.096  -5.337  -4.822
   53   HD22  ASN   8          HD22      ASN   8   1.502  -5.992  -4.956
   54    HA   PRO   9           HA       PRO   9  -0.166  -0.184  -3.301
   55    HB2  PRO   9           HB2      PRO   9  -0.191   1.773  -1.189
   56    HB3  PRO   9           HB1      PRO   9  -1.504   0.717  -1.710
   57    HG2  PRO   9           HG2      PRO   9  -0.255   0.513   0.722
   58    HG3  PRO   9           HG1      PRO   9  -1.063  -0.838  -0.092
   59    HD2  PRO   9           HD2      PRO   9   1.856  -0.157   0.000
   60    HD3  PRO   9           HD1      PRO   9   1.064  -1.743   0.152
   61    H    ILE  10           HN       ILE  10   1.837   1.723  -1.069
   62    HA   ILE  10           HA       ILE  10   3.148   2.948  -3.403
   63    HB   ILE  10           HB       ILE  10   2.674   4.186  -0.686
   64   HG12  ILE  10          HG12      ILE  10   1.365   4.817  -3.338
   65   HG13  ILE  10          HG11      ILE  10   0.610   3.896  -2.042
   66   HG21  ILE  10          HG21      ILE  10   4.707   5.001  -1.735
   67   HG22  ILE  10          HG22      ILE  10   3.466   6.254  -1.732
   68   HG23  ILE  10          HG23      ILE  10   3.817   5.362  -3.213
   69   HD11  ILE  10          HD11      ILE  10  -0.151   6.205  -2.077
   70   HD12  ILE  10          HD12      ILE  10   1.510   6.760  -1.862
   71   HD13  ILE  10          HD13      ILE  10   0.715   5.836  -0.588
   72    H    SER  11           HN       SER  11   3.577   1.842  -0.078
   73    HA   SER  11           HA       SER  11   6.253   2.424   0.295
   74    HB2  SER  11           HB2      SER  11   4.688   1.626   2.061
   75    HB3  SER  11           HB1      SER  11   4.779   0.008   1.370
   76    HG   SER  11           HG       SER  11   6.229   0.435   3.174
   77    H    ASN  12           HN       ASN  12   4.904  -0.702  -0.811
   78    HA   ASN  12           HA       ASN  12   7.575  -1.413  -1.768
   79    HB2  ASN  12           HB2      ASN  12   5.108  -3.120  -1.319
   80    HB3  ASN  12           HB1      ASN  12   6.589  -3.713  -2.061
   81   HD21  ASN  12          HD21      ASN  12   5.245  -4.487   0.439
   82   HD22  ASN  12          HD22      ASN  12   6.440  -4.299   1.677