*HEADER    DE NOVO PROTEIN                         14-APR-18   6D37              
*TITLE     TRP-CAGE TR16B R16NVA : ELIMINATION OF PH DEPENDENT INTERACTIONS      
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: ALA-TYR-ALA-GLN-TRP-LEU-ALA-ASP-DAL-GLY-PRO-ALA-SER-DAL-   
*COMPND   3 NVA-PRO-PRO-PRO-SER;                                                 
*COMPND   4 CHAIN: A;                                                            
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: SYNTHETIC CONSTRUCT;                            
*SOURCE   4 ORGANISM_TAXID: 32630                                                
*KEYWDS    MINIPROTEIN, DE NOVO PROTEIN, TRP-CAGE, CIRCULAR PERMUTANT,           
*KEYWDS   2 MICROPROTEIN                                                         
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    32                                                                    
*AUTHOR    A.BYRNE,N.H.ANDERSEN                                                  
*REVDAT   1   13-MAR-19 6D37    0                                                
# Restraints file 1: test.tbl
remark   Date: Tue Sep 20 15:33:57 PDT 2011
remark   title /home1/dvgloyd/Desktop/test.tbl
remark   DISTINT version 0.8alpha
remark   TABLE OF INTERPROTON DISTANCES
remark   Values are: d, d-, d+
remark   For the Eq.: d=A*(int.)^B, A=14, B=-0.25
remark   For the Eq.: d+=Ae^(Bd), A=0.0384, B=0.7317
remark   For the Eq.: d-=Ad+B, A=0.3167, B=-0.5167
remark   (G) Geminal nOes are commented out.
remark   (Q) Restraints with unassigned residues are commented out.
remark   (A) Proton label not recognized during Precanced Mode processing.
remark   (Ss=0.2 Se=0.4) Sharp aromatic corrections for (s)pecific hydrogens or rotationally (e)quivalent hydrogens.
remark   (C2=1.04) Corrected for the contribution of 2 coincident methylene proton to the nOe.
remark   (C3=1.2) Corrected for the contribution of 3 coincident methyl protons to the nOe.
remark   (Cm=1.3) Corrected for the contribution of 2 coincident methyl groups to the nOe.
remark   (W2=0.2) Corrected for methylene proton not being stereospecifically assigned. (* replaced with #)
remark   (W3=0.4) Corrected for methyl group not being stereospecifically assigned. (* replaced with #)

set 	echo = false end
set 	wrnlev = 0 end

!  	atom1			     atom2			  d     d-    d+    #   ppm1 ppm2 intens. codes
!  Start Here 
assign (resid   10 and name ha2  ) (resid   10 and name hn   )  2.48  0.27  0.23 !  136 0.75 8.31 1023.69 
assign (resid   10 and name ha1  ) (resid   10 and name hn   )  3.11  0.47  0.37 !  133 3.07 8.30 412.38 
assign (resid   10 and name ha2  ) (resid    5 and name hz2  )  3.82  0.49  0.56 !  135 0.75 7.18 97.1382 Ss 
assign (resid   10 and name ha2  ) (resid    5 and name hh2  )  3.76  0.37  0.51 !  134 0.74 7.22 87.4098 Ss 
assign (resid   10 and name hn   ) (resid    8 and name hn   )  3.86  0.87  0.95 !  137 8.32 7.79 104.493 
assign (resid   11 and name hd1  ) (resid   10 and name ha1  )  2.50  0.50  0.22 !  149 3.45 3.07 226.582 
assign (resid   11 and name hd2  ) (resid   10 and name ha1  )  2.38  0.25  0.21 !  154 3.75 3.07 169.635 
assign (resid   11 and name hd1  ) (resid   10 and name ha2  )  2.80  0.50  0.50 !  150 3.46 0.75 108.141 
!assign (resid   11 and name hg#  ) (resid   11 and name hb2  )  2.24  0.28  0.30 !  160 2.19 2.05 1534.24 
!assign (resid   11 and name hd1  ) (resid   11 and name hg#  )  2.63  0.32  0.26 !  151 3.46 2.19 797.856 
assign (resid   11 and name ha   ) (resid   11 and name hb1  )  2.30  0.21  0.21 !  139 4.62 2.54 460.505 
!assign (resid   11 and name ha   ) (resid   11 and name hg#  )  3.08  0.46  0.36 !  141 4.62 2.19 429.425 
!assign (resid   11 and name hd2  ) (resid   11 and name hg#  )  2.64  0.48  0.38 !  156 3.75 2.19 396.452 
assign (resid   11 and name ha   ) (resid   11 and name hb2  )  3.60  0.62  0.54 !  140 4.62 2.04 228.454 
assign (resid   11 and name hd2  ) (resid   12 and name hn   )  3.01  0.35  0.25!  157 3.75 7.35 296.82 
assign (resid   11 and name ha   ) (resid   12 and name hn   )  3.65  0.64  0.56 !  142 4.62 7.35 215.932 
assign (resid   11 and name hb2  ) (resid   12 and name hn   )  3.69  0.65  0.57 !  146 2.04 7.35 206.232 
assign (resid   11 and name hg2  ) (resid   12 and name hn   )  3.71  0.56  0.54 !  161 2.20 7.36 143.289 
assign (resid   11 and name hd1  ) (resid   12 and name hn   )  4.17  0.80  0.81 !  152 3.45 7.35 127.383 
assign (resid   11 and name ha   ) (resid   13 and name hn   )  4.20  0.81  0.83 !  143 4.62 8.09 123.729 
assign (resid   11 and name hd1  ) (resid    5 and name hz2  )  3.03  0.44  0.55 !  148 3.45 7.21 453.888 Ss 
assign (resid   11 and name ha   ) (resid    5 and name hz2  )  2.62  0.47  0.58 !  138 4.62 7.19 404.465 Ss 
assign (resid   11 and name hd1  ) (resid    5 and name hh2  )  2.53  0.49  0.60 !  147 3.45 7.22 369.981 Ss 
assign (resid   11 and name hg1  ) (resid    5 and name hz2  )  3.38  0.55  0.65 !  159 2.19 7.19 295.484 Ss 
assign (resid   11 and name hg1  ) (resid    5 and name hh2  )  2.88  0.58  0.69 !  158 2.19 7.22 263.353 Ss 
assign (resid   11 and name hb1  ) (resid    5 and name hz2  )  4.00  0.75  0.91 !  144 2.54 7.18 150.781 Ss 
assign (resid   11 and name hd2  ) (resid    5 and name hh2  )  4.19  0.81  1.02 !  153 3.76 7.21 125.208 Ss 
!assign (resid   12 and name ha   ) (resid   12 and name hb#  )  2.61  0.21  0.23 !  162 4.23 1.42 1725.58 C3 
assign (resid   12 and name ha   ) (resid   12 and name hn   )  2.64  0.32  0.26 !  163 4.23 7.35 793.97 
assign (resid   12 and name hb#  ) (resid   12 and name hn   )  2.84  0.28  0.26 !  167 1.42 7.35 1217.25 C3 
assign (resid   12 and name hn   ) (resid   13 and name hn   )  2.60  0.21  0.21 !  169 7.35 8.09 1378.1 
assign (resid   12 and name ha   ) (resid   13 and name hb1  )  4.65  0.81  1.22 !  164 4.23 3.57 423.981 
assign (resid   12 and name hb#  ) (resid   13 and name hn   )  3.87  0.61  0.49 !  168 1.42 8.09 355.275 C3 
assign (resid   12 and name ha   ) (resid   13 and name hn   )  3.96  0.74  0.70 !  165 4.22 8.10 156.51 
assign (resid   12 and name ha   ) (resid   14 and name hn   )  3.56  0.58  0.48 !  166 4.23 7.33 267.075 
!assign (resid   13 and name ha   ) (resid   13 and name hb2  )  2.42  0.25  0.23 !  171 4.17 3.92 1111.83 
!assign (resid   13 and name ha   ) (resid   13 and name hb1  )  2.64  0.32  0.27 !  170 4.17 3.56 787.559 
assign (resid   13 and name hb1  ) (resid   13 and name hn   )  2.41  0.40  0.32 !  174 3.57 8.09 544.376 
assign (resid   13 and name ha   ) (resid   13 and name hn   )  3.04  0.45  0.36 !  172 4.17 8.10 446.964 
assign (resid   13 and name hb2  ) (resid   13 and name hn   )  3.42  0.73  0.68 !  176 3.91 8.09 161.974 
assign (resid   13 and name ha   ) (resid   14 and name hn   )  3.94  0.73  0.69 !  173 4.16 7.33 158.936 
assign (resid   14 and name hn   ) (resid   13 and name hn   )  2.54  0.29  0.25 !  181 7.33 8.09 922.198 
assign (resid   14 and name ha   ) (resid   14 and name hn   )  2.66  0.42  0.33 !  178 4.43 7.33 501.351 
assign (resid   14 and name hb#  ) (resid   14 and name hn   )  3.02  0.34  0.29 !  180 1.50 7.33 960.615 C3 
!assign (resid   14 and name ha   ) (resid   14 and name hb#  )  2.54  0.29  0.25 !  177 4.42 1.51 753.876 C3 
assign (resid   14 and name hn   ) (resid   15 and name hn   )  2.58  0.30  0.25 !  182 7.34 8.07 863.268 
assign (resid   14 and name ha   ) (resid   15 and name hn   )  3.24  0.45  0.36 !  179 4.43 8.07 239.799 
assign (resid   15 and name hb2  ) (resid   15 and name hn   )  3.04  0.45  0.35 !  189 1.77 8.07 451.539 
assign (resid   15 and name ha   ) (resid   15 and name hn   )  3.04  0.45  0.35 !  184 4.83 8.07 246.774 
assign (resid   15 and name hg*  ) (resid   15 and name hn   )  4.06  0.77  0.75 !  192 1.42 8.07 140.77 
assign (resid   15 and name hb3  ) (resid   15 and name hn   )  3.05  0.45  0.35 !  191 1.87 8.07 135.062 
assign (resid   15 and name hg*  ) (resid   15 and name hn   )  4.27  0.83  0.87 !  193 1.47 8.07 116.094 
assign (resid   15 and name ha   ) (resid   16 and name hd1  )  2.51  0.28  0.24 !  185 4.84 3.85 974.376 
assign (resid   15 and name ha   ) (resid   16 and name hd2  )  2.70  0.48  0.49 !  186 4.84 3.69 720.29 
assign (resid   15 and name hb*  ) (resid    5 and name hd1  )  3.17  0.49  0.59 !  187 1.77 7.09 380.801 Ss 
assign (resid   15 and name hg*  ) (resid    5 and name he1  )  3.32  0.54  0.64 !  188 1.77 9.59 315.006 Ss 
!assign (resid   15 and name hb*  ) (resid    5 and name hd1  )  3.56  0.61  0.72 !  190 1.85 7.09 240.213 Ss 
assign (resid   15 and name hn   ) (resid    5 and name he1  )  3.88  0.71  0.86 !  194 8.09 9.60 170.021 Ss 
assign (resid   15 and name ha   ) (resid    5 and name he1  )  4.25  0.83  1.06 !  183 4.83 9.59 117.768 Ss 
!assign (resid   16 and name hb1  ) (resid   15 and name hb*  )  2.82  0.38  0.30 !  201 2.13 1.77 604.801 
assign (resid   16 and name hd2  ) (resid   15 and name hb*  )  3.74  0.67  0.59 !  208 3.70 1.88 196.39 
assign (resid   16 and name hd2  ) (resid   15 and name hb*  )  3.93  0.73  0.68 !  207 3.70 1.76 161.55 
!assign (resid   16 and name hb1  ) (resid   16 and name hg#  )  2.36  0.23  0.22 !  202 2.13 1.99 1241.43 
!assign (resid   16 and name ha   ) (resid   16 and name hb1  )  2.58  0.43  0.34 !  197 4.58 2.13 486.146 
!assign (resid   16 and name hd1  ) (resid   16 and name hg#  )  2.97  0.49  0.39 !  206 3.85 1.99 378.55 
!assign (resid   16 and name ha   ) (resid   16 and name hb2  )  2.82  0.27  0.33 !  198 4.58 1.75 279.647 
!assign (resid   16 and name hd2  ) (resid   16 and name hg#  )  2.54  0.29  0.25 !  209 3.70 1.99 269.108 
!assign (resid   16 and name ha   ) (resid   16 and name hg#  )  3.61  0.63  0.54 !  199 4.58 1.99 225.904 
!assign (resid   16 and name hb1  ) (resid   17 and name hg#  )  2.30  0.21  0.21 !  204 2.13 1.74 1370.56 
!assign (resid   16 and name ha   ) (resid   17 and name hd#  )  2.35  0.23  0.22 !  200 4.59 3.48 1249.36 
!assign (resid   16 and name hg#  ) (resid   17 and name hg#  )  3.00  0.43  0.34 !  210 1.99 1.73 476.284 
assign (resid   16 and name hb1  ) (resid   17 and name hd2  )  3.16  0.68  0.77 !  203 2.12 3.47 136.065 
assign (resid   16 and name ha   ) (resid    5 and name hz2  )  4.23  0.72  0.95 !  196 4.59 7.19 119.808 Ss 
assign (resid   16 and name ha   ) (resid    5 and name he1  )  4.04  0.79  0.95 !  195 4.59 9.59 119.152 Ss 
!assign (resid   17 and name hd#  ) (resid   17 and name hg#  )  2.83  0.44  0.35 !  226 3.48 1.68 454.065 
!assign (resid   17 and name hd#  ) (resid   17 and name hg#  )  2.81  0.46  0.37 !  225 3.48 1.73 418.341 
assign (resid   17 and name ha   ) (resid   17 and name hb1  )  2.30  0.21  0.21 !  215 2.56 0.44 320.218 
assign (resid   17 and name ha   ) (resid   17 and name hb2  )  3.00  0.43  0.34 !  216 2.56 1.33 209.867 
!assign (resid   17 and name hg#  ) (resid   17 and name hb1  )  2.92  0.41  0.53 !  228 1.68 0.45 143.795 
assign (resid   17 and name hb2  ) (resid    2 and name he1  )  3.31  0.54  0.48 !  219 1.31 6.82 170.495 Se Ca 
assign (resid   17 and name hb1  ) (resid    2 and name he1  )  3.99  0.82  1.23 !  217 0.45 6.81 132.449 Se Ca 
!assign (resid   17 and name hd#  ) (resid    5 and name hz2  )  2.92  0.41  0.53 !  224 3.47 7.19 527.867 Ss 
assign (resid   17 and name hd1  ) (resid    5 and name hz2  )  2.75  0.58  0.41 !  222 3.48 7.18 441.682 Ss 
assign (resid   17 and name hd1  ) (resid    5 and name hh2  )  3.49  0.59  0.69 !  221 3.48 7.22 259.563 Ss 
assign (resid   17 and name ha   ) (resid    5 and name hd1  )  3.61  0.63  0.74 !  211 2.55 7.09 225.415 Ss 
assign (resid   17 and name ha   ) (resid    5 and name he1  )  3.65  0.64  0.76 !  212 2.56 9.59 215.337 Ss 
assign (resid   17 and name hd1  ) (resid    5 and name hd1  )  4.08  0.71  0.81 !  223 3.47 7.10 169.007 Ss 
assign (resid   17 and name ha   ) (resid    5 and name hz2  )  4.08  0.78  0.96 !  214 2.56 7.19 138.436 Ss 
assign (resid   17 and name hg1  ) (resid    5 and name hz2  )  4.21  0.85  1.10 !  227 1.68 7.18 111.63 Ss 
assign (resid   17 and name ha   ) (resid    5 and name hh2  )  4.33  0.85  1.11 !  213 2.55 7.21 109.733 Ss 
assign (resid   17 and name hb1  ) (resid    5 and name hz2  )  3.70  0.61  0.83 !  218 0.44 7.19 93.7548 Ss 
assign (resid   18 and name hd1  ) (resid   17 and name ha   )  2.31  0.35  0.24 !  234 3.17 2.56 974.184 
assign (resid   18 and name hd2  ) (resid   17 and name ha   )  2.58  0.38  0.30 !  240 2.92 2.56 604.405 
assign (resid   18 and name ha   ) (resid   18 and name hb1  )  2.52  0.37  0.30 !  229 4.35 2.25 611.605 
assign (resid   18 and name hd1  ) (resid   18 and name hg#  )  2.78  0.43  0.34 !  236 3.17 1.84 490.307 
assign (resid   18 and name hd2  ) (resid   18 and name hg#  )  2.54  0.29  0.25 !  241 2.91 1.84 288.979 
assign (resid   18 and name ha   ) (resid   18 and name hg#  )  3.59  0.62  0.53 !  230 4.35 1.84 231.369 
assign (resid   18 and name ha   ) (resid   18 and name hb2  )  2.89  0.62  0.53 ! Overlapped
assign (resid   18 and name ha   ) (resid   19 and name hn   )  2.40  0.24  0.22 !  231 4.35 8.38 1153.92 
assign (resid   18 and name hb1  ) (resid   19 and name hn   )  4.28  0.84  0.88 !  232 2.26 8.38 113.987 
assign (resid   18 and name hd1  ) (resid    2 and name hd1  )  4.45  0.51  0.52 !  233 3.17 7.08 263.465 Se Ca ! overlapped
assign (resid   18 and name hd2  ) (resid    2 and name hd1  )  3.14  0.71  0.66 !  237 2.91 7.09 185.595 Se Ca 
assign (resid   18 and name hg#  ) (resid    2 and name hd1  )  4.04  0.74  1.10 !  242 1.82 7.07 168.978 Se Ca 
assign (resid   18 and name hg#  ) (resid    2 and name hn   )  4.39  0.87  0.96 !  243 1.83 9.11 103.201 
assign (resid   18 and name hd2  ) (resid    2 and name he1  )  4.60  0.92  1.43 !  238 2.91 6.82 100.373 Se Ca 
assign (resid   18 and name hd2  ) (resid    5 and name hd1  )  3.74  0.66  0.79 !  239 2.92 7.10 198.601 Ss 
assign (resid   19 and name ha   ) (resid   19 and name hn   )  3.50  0.59  0.50 !  244 4.28 8.40 255.451 
assign (resid   19 and name hb1  ) (resid   19 and name hn   )  4.03  0.76  0.73 !  245 3.82 8.38 146.045 
assign (resid    1 and name ha   ) (resid    1 and name hn   )  2.51  0.37  0.46 !    1 4.20 8.68 625.102 
assign (resid    1 and name hb#  ) (resid    1 and name hn   )  3.09  0.69  0.97 !    5 1.48 8.68 1144.33 C3 
!assign (resid    1 and name ha   ) (resid    1 and name hb#  )  2.71  0.30  0.39 !    0 4.18 1.49 1104.12 C3 
assign (resid    1 and name hn   ) (resid    2 and name hn   )  2.92  0.41  0.88 !    7 8.70 9.11 528.84 
assign (resid    1 and name ha   ) (resid    2 and name hn   )  3.74  0.67  0.59 !    2 4.19 9.11 196.25 
assign (resid    1 and name hb#  ) (resid    2 and name hn   )  3.08  0.46  0.36 !    6 1.48 9.11 405.116 C3 
assign (resid    1 and name ha   ) (resid    4 and name hb*  )  3.29  0.40  1.02 !    3 4.19 2.16 548.443 
assign (resid    1 and name ha   ) (resid    4 and name hg*  )  4.45  0.89  1.00 !    4 4.19 2.39 97.9528 
assign (resid    2 and name ha   ) (resid   18 and name hg*  )  2.80  0.53  0.43 !   16 4.06 1.84 328.064 
assign (resid    2 and name ha   ) (resid   18 and name hd2  )  3.00  0.50  0.50 !   15 4.07 2.92 151.39 
assign (resid    2 and name he#  ) (resid    2 and name hd#  )  2.20  0.26  1.02 !   22 6.83 7.09 4852.82 Se Se Ca Ca 
assign (resid    2 and name hb#  ) (resid    2 and name hn   )  2.54  0.29  0.25 !   18 3.10 9.11 1666.69 
assign (resid    2 and name hb#  ) (resid    2 and name hn   )  2.54  0.29  0.25 !   21 3.10 9.11 1666.69 
assign (resid    2 and name hb#  ) (resid    2 and name hd#  )  2.33  0.20  0.62 !   17 3.10 7.07 1526.49 Se Ca 
assign (resid    2 and name ha   ) (resid    2 and name hd#  )  3.23  0.48  0.80 !    8 4.06 7.08 415.132 Se Ca 
assign (resid    2 and name ha   ) (resid    2 and name hn   )  3.29  0.53  0.43 !    9 4.07 9.11 327.634 
!assign (resid    2 and name hb#  ) (resid    2 and name he#  )  3.80  0.67  1.00 !   20 3.10 6.81 215.247 Se Ca 
assign (resid    2 and name hb#  ) (resid    3 and name hn   )  2.68  0.33  0.27 !   19 3.10 8.54 749.963 
assign (resid    2 and name ha   ) (resid    3 and name hn   )  3.89  0.72  0.66 !   10 4.06 8.54 167.368 
assign (resid    2 and name he#  ) (resid    5 and name hz3  )  3.30  0.51  1.03 !   23 6.84 6.94 380.086 Se Ss Ca 
assign (resid    2 and name ha   ) (resid    5 and name hb1  )  2.64  0.40  0.60 !   11 4.06 3.54 305.14 
assign (resid    2 and name ha   ) (resid    5 and name hn   )  3.52  0.60  0.51 !   13 4.06 8.12 249.714 
assign (resid    2 and name ha   ) (resid    5 and name he3  )  4.28  0.84  1.08 !   12 4.06 6.95 114.239 Ss 
assign (resid    2 and name ha   ) (resid    6 and name hn   )  4.02  0.76  0.73 !   14 4.07 8.58 146.513 
assign (resid    3 and name hn   ) (resid    2 and name hn   )  2.83  0.45  0.30 !   33 8.56 9.12 719.452 
assign (resid    3 and name hb#  ) (resid    3 and name hn   )  2.80  0.27  0.25 !   30 1.54 8.54 1292.44 C3 
assign (resid    3 and name ha   ) (resid    3 and name hn   )  2.98  0.43  0.34 !   25 4.12 8.54 487.066 
!assign (resid    3 and name ha   ) (resid    3 and name hb#  )  2.72  0.37  0.31 !   24 4.12 1.55 845.665 C3 
assign (resid    3 and name ha   ) (resid    4 and name hn   )  3.40  0.56  0.46 !   26 4.12 8.10 287.8 
assign (resid    3 and name hb#  ) (resid    4 and name hn   )  3.60  0.52  0.41 !   31 1.54 8.10 475.915 C3 
assign (resid    3 and name ha   ) (resid    6 and name hn   )  3.48  0.59  0.49 !   29 4.12 8.58 261.692 
assign (resid    3 and name ha   ) (resid    6 and name hb2  )  3.58  0.68  0.61 !   27 4.12 1.81 188.696 
assign (resid    3 and name ha   ) (resid    6 and name hd1# )  3.85  0.60  0.48 !   28 4.12 0.98 361.772 C3 
assign (resid    3 and name hb#  ) (resid    6 and name hn   )  4.85  0.92  0.89 !   32 1.54 8.58 143.784 C3 
assign (resid    1 and name ha#  ) (resid    1 and name hn   )  2.55  0.21  1.06 !   39 2.16 8.68 1647.22 
assign (resid    1 and name ha#  ) (resid    2 and name hn   )  4.71  0.78  0.78 !   40 2.17 9.11 135.019 
assign (resid    4 and name hn   ) (resid    3 and name hn   )  2.81  0.37  0.30 !   48 8.11 8.54 613.85 
assign (resid    1 and name ha#  ) (resid    3 and name hn   )  4.15  0.80  0.80 !   41 2.17 8.54 129.397 
!assign (resid    4 and name hg#  ) (resid    4 and name hb#  )  2.56  0.17  0.19 !   45 2.40 2.15 1770.64 
assign (resid    4 and name hb#  ) (resid    4 and name hn   )  2.63  0.42  0.41 !   42 2.17 8.10 1302.12 
assign (resid    4 and name ha   ) (resid    4 and name hn   )  2.94  0.41  0.33 !   36 4.09 8.10 513.812 
!assign (resid    4 and name ha   ) (resid    4 and name hb#  )  2.76  0.48  0.39 !   34 4.09 2.16 384.582 
!assign (resid    4 and name ha   ) (resid    4 and name hg#  )  2.75  0.53  0.44 !   35 4.08 2.39 317.143 
!assign (resid    4 and name hg#  ) (resid    4 and name he*  )  3.71  0.66  0.58 !   46 2.39 7.46 202.672 
assign (resid    4 and name hg#  ) (resid    4 and name hn   )  4.37  0.87  0.94 !   47 2.39 8.10 105.659 
assign (resid    4 and name hn   ) (resid    5 and name hn   )  2.62  0.41  0.53 !   49 8.10 8.12 5297 
assign (resid    4 and name hb#  ) (resid    5 and name hn   )  2.85  0.39  0.31 !   43 2.17 8.12 581.271 
assign (resid    4 and name ha   ) (resid    5 and name hn   )  3.35  0.44  0.44 !   37 4.09 8.12 305.802 
assign (resid    4 and name ha   ) (resid    7 and name hn   )  3.13  0.48  0.38 !   38 4.09 8.19 398.755 
assign (resid    5 and name ha   ) (resid    8 and name hb2  )  3.60  0.45  0.51 !   50 4.23 3.10 110.266 
!assign (resid    5 and name hh2  ) (resid    5 and name hz3  )  1.94  0.10  0.56 !   69 7.22 7.09 2693.5 Ss Ss 
!assign (resid    5 and name hz3  ) (resid    5 and name he3  )  2.23  0.19  0.60 !   71 7.10 6.95 1542.2 Ss Ss 
assign (resid    5 and name hd1  ) (resid    5 and name he1  )  2.31  0.22  0.61 !   67 7.11 9.59 1347.9 Ss Ss 
assign (resid    5 and name hb1  ) (resid    5 and name hn   )  2.65  0.37  0.38 !   61 3.54 8.12 932.684 
assign (resid    5 and name hb2  ) (resid    5 and name hd1  )  2.55  0.29  0.45 !   63 3.16 7.09 910.701 Ss 
assign (resid    5 and name hb2  ) (resid    5 and name hn   )  2.60  0.31  0.26 !   65 3.17 8.12 843.047 
assign (resid    5 and name ha   ) (resid    5 and name hb2  )  2.54  0.38  0.31 !   51 4.23 3.16 593.421 
assign (resid    5 and name hz2  ) (resid    5 and name he1  )  2.86  0.39  0.71 !   70 7.20 9.60 575.832 Ss Ss 
assign (resid    5 and name hb1  ) (resid    5 and name he3  )  2.90  0.50  0.52 !   60 3.54 6.95 544.357 Ss 
assign (resid    5 and name ha   ) (resid    5 and name hn   )  2.93  0.41  0.33 !   53 4.23 8.12 520.685 
assign (resid    5 and name ha   ) (resid    5 and name hd1  )  2.94  0.41  0.53 !   52 4.22 7.09 516.607 Ss 
assign (resid    5 and name hb1  ) (resid    5 and name hd1  )  3.28  0.62  0.73 !   59 3.54 7.09 233.434 Ss 
assign (resid    5 and name hb2  ) (resid    5 and name he3  )  4.10  0.78  0.97 !   64 3.16 6.95 135.935 Ss 
assign (resid    5 and name hn   ) (resid    6 and name hn   )  2.67  0.33  0.27 !   72 8.13 8.58 755.221 
assign (resid    5 and name hb1  ) (resid    6 and name hn   )  2.89  0.40  0.32 !   62 3.54 8.58 552.232 
assign (resid    5 and name he3  ) (resid    6 and name hn   )  3.07  0.45  0.56 !   68 6.96 8.58 434.988 Ss 
assign (resid    5 and name hb2  ) (resid    6 and name hn   )  3.81  0.69  0.62 !   66 3.16 8.58 183.253 
!assign (resid    5 and name ha   ) (resid    6 and name hd1# )  4.37  0.76  0.66 !   54 4.24 0.97 218.692 C3 
assign (resid    5 and name ha   ) (resid    6 and name hn   )  3.50  0.40  0.60 !   55 4.21 8.58 70.3123 
assign (resid    5 and name ha   ) (resid    8 and name hn   )  3.75  0.73  0.66 !   57 4.23 7.79 117.204  
assign (resid    6 and name ha   ) (resid   10 and name hn   )  2.92  0.41  0.33 !   84 3.32 8.31 526.234 
assign (resid    6 and name ha   ) (resid   10 and name ha1  )  3.66  0.71  0.65 !   82 3.31 3.05 173.093 
assign (resid    6 and name ha   ) (resid   10 and name ha2  )  3.12  0.41  0.33 !   83 3.31 0.75 136.651 
assign (resid    6 and name hd1# ) (resid    2 and name he2  )  3.57  0.55  0.94 !   95 0.98 6.82 462.053 Se C3 Ca 
assign (resid    6 and name hd2# ) (resid    2 and name he#  )  4.05  0.64  1.02 !   99 0.90 6.82 344.681 Se C3 Ca 
assign (resid    6 and name hg   ) (resid    5 and name he3  )  2.72  0.50  0.48 !  103 1.60 6.95 356.381 Ss 
assign (resid    6 and name hd2# ) (resid    5 and name hz3  )  3.00  0.55  0.68 !  101 0.90 7.09 422.864 Ss C3 
assign (resid    6 and name hd1# ) (resid    5 and name hz3  )  3.92  0.62  0.74 !   97 0.98 7.08 337.916 Ss C3 
assign (resid    6 and name hg   ) (resid    5 and name hz3  )  4.00  0.75  0.91 !  104 1.59 7.09 150.736 Ss 
assign (resid    6 and name hd2# ) (resid    5 and name he3  )  4.03  0.66  0.78 !  100 0.90 6.95 301.336 Ss C3 
assign (resid    6 and name hb2  ) (resid    5 and name he3  )  4.06  0.77  0.95 !   88 1.82 6.96 141.654 Ss 
assign (resid    6 and name hb2  ) (resid    5 and name hn   )  4.45  0.89  1.00 !   89 1.82 8.12 97.8259 
assign (resid    6 and name ha   ) (resid    5 and name he3  )  4.53  0.92  1.26 !   73 3.33 6.95 91.2972 Ss 
assign (resid    6 and name hd1# ) (resid    5 and name he3  )  5.18  1.02  1.33 !   96 0.97 6.95 110.359 Ss C3 
assign (resid    6 and name hb2  ) (resid    6 and name hn   )  2.71  0.34  0.28 !   93 1.81 8.58 712.267 
assign (resid    6 and name hg   ) (resid    6 and name hn   )  2.83  0.38  0.30 !  107 1.60 8.58 600.602 
!assign (resid    6 and name hg   ) (resid    6 and name hd2# )  2.88  0.29  0.27 !  106 1.61 0.90 1156.77 C3 
!assign (resid    6 and name hg   ) (resid    6 and name hd1# )  2.94  0.31  0.28 !  105 1.60 0.99 1068.24 C3 
assign (resid    6 and name ha   ) (resid    6 and name hn   )  2.96  0.42  0.33 !   79 3.32 8.58 500.484 
!assign (resid    6 and name ha   ) (resid    6 and name hd2# )  3.16  0.38  0.32 !   77 3.32 0.90 802.494 C3 
assign (resid    6 and name hb1  ) (resid    6 and name hn   )  3.21  0.50  0.40 !   86 1.44 8.58 360.479 
!assign (resid    6 and name hb2  ) (resid    6 and name hg   )  3.31  0.53  0.43 !   92 1.81 1.60 319.718 
assign (resid    6 and name ha   ) (resid    6 and name hb1  )  2.50  0.30  0.30 !   74 3.31 1.43 289.263 
assign (resid    6 and name ha   ) (resid    6 and name hb2  )  3.44  0.57  0.48 !   75 3.31 1.81 273.403 
!assign (resid    6 and name hb1  ) (resid    6 and name hd2# )  3.50  0.49  0.39 !   85 1.43 0.90 530.949 C3 
assign (resid    6 and name ha   ) (resid    6 and name hd1# )  4.08  0.67  0.56 !   76 3.31 0.97 286.603 C3 
!assign (resid    6 and name ha   ) (resid    6 and name hg   )  4.09  0.78  0.77 !   78 3.31 1.60 136.674 
!assign (resid    6 and name hb2  ) (resid    6 and name hd1# )  4.09  0.68  0.56 !   90 1.81 0.98 283.763 C3 
!assign (resid    6 and name hb2  ) (resid    6 and name hd2# )  4.69  0.87  0.81 !   91 1.81 0.90 164.154 C3 
assign (resid    6 and name hd2# ) (resid    6 and name hn   )  4.90  0.93  0.91 !  102 0.90 8.58 138.697 C3 
assign (resid    6 and name hd1# ) (resid    6 and name hn   )  5.06  0.98  1.01 !   98 0.98 8.58 121.312 C3 
assign (resid    6 and name hb2  ) (resid    7 and name hn   )  3.14  0.48  0.38 !   94 1.81 8.19 392.815 
assign (resid    6 and name hb1  ) (resid    7 and name hn   )  3.34  0.54  0.44 !   87 1.44 8.19 309.242 
assign (resid    6 and name ha   ) (resid    7 and name hn   )  3.61  0.61  0.63 !   80 3.31 8.19 134.381 
assign (resid    6 and name hg   ) (resid    7 and name hn   )  4.29  0.84  0.89 !  108 1.60 8.19 113.055 
assign (resid    6 and name ha   ) (resid    9 and name hn   )  4.11  0.64  1.12 !   81 3.32 7.40 84.9854 
assign (resid    7 and name hb3  ) (resid    4 and name hn   )  4.65  0.79  0.70 !  113 1.48 8.10 202.341 C3 
assign (resid    7 and name hn   ) (resid    6 and name hn   )  2.67  0.33  0.27 !  116 8.20 8.58 752.114 
assign (resid    7 and name ha   ) (resid    7 and name hn   )  2.87  0.39  0.31 !  109 4.07 8.19 569.85 
assign (resid    7 and name hb#  ) (resid    7 and name hn   )  2.75  0.29  0.27 !  114 1.48 8.19 1173.05 C3 
!assign (resid    7 and name ha   ) (resid    8 and name hb1  )  4.61  0.94  1.12 !  110 4.06 3.10 435.37 
assign (resid    7 and name hb#  ) (resid    8 and name hn   )  3.79  0.58  0.46 !  115 1.48 7.79 386.676 C3 
assign (resid    7 and name ha   ) (resid    8 and name hn   )  3.74  0.64  0.69 !  111 4.07 7.79 132.102 
assign (resid    7 and name ha   ) (resid    9 and name hn   )  3.91  0.78  0.77 !  112 4.07 7.41 101.057 
assign (resid    8 and name hn   ) (resid    7 and name hn   )  3.06  0.45  0.36 !  123 7.80 8.19 439.43 
assign (resid    8 and name hb2  ) (resid    8 and name hn   )  2.86  0.39  0.31 !  122 2.99 7.79 574.347 
assign (resid    8 and name ha   ) (resid    8 and name hb2  )  2.73  0.44  0.35 !  118 4.63 2.99 456.777 
assign (resid    8 and name ha   ) (resid    8 and name hn   )  3.11  0.47  0.37 !  119 4.63 7.79 408.378 
assign (resid    8 and name ha   ) (resid    8 and name hb1  )  2.85  0.48  0.38 !  117 4.63 3.11 390.415 
assign (resid    8 and name hb1  ) (resid    8 and name hn   )  3.31  0.22  0.46 !  121 3.08 7.79 288.014 
assign (resid    8 and name ha   ) (resid    9 and name hn   )  4.01  0.88  0.97 !  120 4.63 7.41 101.388 
assign (resid    9 and name hn   ) (resid   10 and name hn   )  2.43  0.25  0.23 !  131 7.42 8.31 1105.64 
assign (resid    9 and name ha   ) (resid   10 and name hn   )  3.81  0.69  0.63 !  126 4.38 8.31 181.729 
assign (resid    9 and name hb#  ) (resid   10 and name hn   )  4.69  0.86  0.80 !  129 1.27 8.31 165.102 C3 
assign (resid    9 and name ha   ) (resid   12 and name hb#  )  3.93  0.63  0.51 !  127 4.38 1.42 332.304 C3 
assign (resid    9 and name hn   ) (resid    8 and name hn   )  2.83  0.38  0.30 !  130 7.42 7.79 599.133 
assign (resid    9 and name ha   ) (resid    9 and name hb#  )  2.75  0.31  0.38 !  124 4.38 1.26 1050.46 C3 
assign (resid    9 and name hb#  ) (resid    9 and name hn   )  3.12  0.49  0.39 !  128 1.27 7.41 527.899 C3 
assign (resid    9 and name ha   ) (resid    9 and name hn   )  3.23  0.67  0.59 !  125 4.37 7.41 197.498 
assign (resid    9 and name ha   ) (resid    13 and name hb1   )  3.10  0.40  0.90 !
! assign (resid   10 and name ha1  ) (resid   10 and name ha2  )  2.25  0.20  0.20 !  132 3.07 0.75 1500.36 G 
! assign (resid   11 and name hb1  ) (resid   11 and name hb2  )  2.44  0.26  0.23 !  145 2.54 2.05 1080.07 G 
! assign (resid   11 and name hd2  ) (resid   11 and name hd1  )  2.03  0.13  0.17 !  155 3.75 3.44 2243.3 G 
! assign (resid   13 and name hb2  ) (resid   13 and name hb1  )  1.94  0.10  0.16 !  175 3.91 3.55 2719.88 G 
! assign (resid   16 and name hd1  ) (resid   16 and name hd2  )  1.80  0.00  0.14 !  205 3.85 3.69 4361.51 G 
! assign (resid   17 and name hb2  ) (resid   17 and name hb1  )  2.34  0.23  0.21 !  220 1.32 0.44 1270.68 G 
! assign (resid   18 and name hd1  ) (resid   18 and name hd2  )  2.14  0.16  0.18 !  235 3.18 2.90 1814.82 G 
! assign (resid    4 and name he*  ) (resid    4 and name he*  )  1.88  0.08  0.15 !   44 7.11 7.46 3092.07 G 
! assign (resid    5 and name hb1  ) (resid    5 and name hb2  )  2.00  0.12  0.17 !   58 3.54 3.15 2410.6 G

! Added from 750 Data
assign (resid    1 and name ha   ) (resid    4 and name hn   )   3.55  0.49  0.53
assign (resid    2 and name ha   ) (resid    5 and name hb2  )  2.92  0.41  0.32 
!assign (resid    2 and name hb#   ) (resid    5 and name he3  )  4.00  0.60  0.60 
assign (resid    3 and name ha   ) (resid    2 and name hd2  )  3.17  0.49  0.59 
assign (resid    3 and name hb#   ) (resid    2 and name hd2 ) 4.30  0.40  0.60
assign (resid    4 and name hb#   ) (resid    4 and name he# ) 3.93  0.73  0.68
!assign (resid    4 and name he*   ) (resid    2 and name hn )  3.20  0.39  0.32
!assign (resid    4 and name he*   ) (resid    3 and name hn ) 4.11  0.79  0.98
!assign (resid    4 and name hg#  ) (resid    4 and name he*  ) 2.56  0.23  0.22
assign (resid    4 and name hb1  ) (resid    5 and name hn ) 2.80  0.43  0.42
assign (resid    5 and name hb1  ) (resid    2 and name hd1  ) 3.96  0.72  1.06 
assign (resid    6 and name ha   ) (resid    9 and name hn )  3.85  0.70  0.64 
!assign (resid    6 and name hb2 ) (resid    2 and name hn ) 4.30  0.83  1.07 
assign (resid    6 and name hd1# ) (resid    2 and name hd2 ) 3.80  0.50  0.60
assign (resid    6 and name hd2# ) (resid    2 and name he2  ) 3.88  0.58  1.17 
!assign (resid    6 and name hd2# ) (resid    5 and name hz3  ) 2.62  0.31  0.26
assign (resid    6 and name hd2# ) (resid    5 and name he3  ) 3.54  0.60  0.71 
assign (resid    6 and name hd2# ) (resid    5 and name hh2  ) 4.69  0.97  1.19 
assign (resid    6 and name hd2# ) (resid    6 and name hn ) 3.97  0.74  0.70
assign (resid    6 and name hg ) (resid    2 and name hd2 ) 4.34  0.86  1.12
assign (resid    6 and name hg   ) (resid    2 and name he2  ) 3.67  0.62  0.94 
assign (resid    6 and name hg ) (resid    5 and name hz3 ) 4.34  0.86  1.12
!assign (resid    7 and name hb#  ) (resid    5 and name hd1 ) 4.25  0.83  0.86
assign (resid    8 and name hb1   ) (resid   9 and name hn   ) 4.60  0.92  1.17
assign (resid    8 and name hb2   ) (resid   9 and name hn   ) 4.29  0.97  1.19
assign (resid    8 and name hb2   ) (resid   10 and name hn   ) 3.76  0.65  0.61
assign (resid   9 and name ha   ) (resid   13 and name hn   )  3.82  0.69  0.63 !3.43  0.57  0.47 From 16b
assign (resid   9 and name ha   ) (resid   12 and name hn   )  3.92  0.72  0.67 !3.83  0.70  0.63 From 16b
assign (resid   10 and name ha1  ) (resid    5 and name hh2  )  4.34  0.86  1.12 
assign (resid   10 and name ha1  ) (resid    5 and name hz2  )  3.87  0.65  0.76 
assign (resid   10 and name ha1  ) (resid   12 and name hn   ) 4.30  0.83  1.07
assign (resid   10 and name ha2  ) (resid    5 and name hz3  ) 4.03  0.76  0.93 
assign (resid   10 and name ha2  ) (resid    5 and name he1  ) 3.86  0.71  0.65
assign (resid   10 and name ha2  ) (resid    5 and name he3  ) 3.82  0.59  0.63 
assign (resid   10 and name ha2  ) (resid    5 and name hh2 ) 4.69  0.97  1.19 !4.35  0.86  1.13 From 16b
assign (resid   11 and name ha  ) (resid    5 and name hh2 ) 3.95  0.73  0.89 
assign (resid   11 and name hb1  ) (resid    5 and name hh2 ) 4.60  0.92  1.17
assign (resid   11 and name hb1  ) (resid    12 and name hn ) 4.34  0.86  1.12 
assign (resid   11 and name hd1  ) (resid    5 and name hz3 ) 4.79  0.90  0.85
assign (resid   11 and name hd1  ) (resid    5 and name he1 ) 4.60  0.92  1.17
assign (resid   11 and name hd1  ) (resid    5 and name he3 ) 5.25  1.00  1.00
assign (resid   11 and name hd1  ) (resid    10 and name hn ) 4.69  0.97  1.19
assign (resid   11 and name hd1  ) (resid    12 and name hn ) 4.08  0.77  0.76 !4.00  0.75  0.72 From 16b
assign (resid   11 and name hd2  ) (resid    5 and name hz3 ) 5.25  1.00  1.00
assign (resid   11 and name hd2  ) (resid    10 and name ha2 ) 4.25  0.83  0.86
assign (resid   11 and name hd2  ) (resid    10 and name hn ) 5.25  1.00  1.00
assign (resid   11 and name hd2  ) (resid    11 and name hb2 ) 3.60  0.63  0.74
assign (resid   13 and name hb1  ) (resid   10 and name hn   ) 4.25  0.83  0.86
!assign (resid   13 and name hb1  ) (resid   14 and name hn   ) 4.75  1.00  1.15
assign (resid   13 and name hb2  ) (resid   14 and name hn   ) 4.69  0.97  1.19
assign (resid   14 and name ha   ) (resid   15 and name hn   ) 3.65  0.64  0.55 
assign (resid   17 and name hg*   ) (resid   2 and name hd1   ) 4.60  0.92  1.17
assign (resid   15 and name hb*   ) (resid   5 and name he1   ) 4.25  0.83  0.86
!assign (resid   16 and name hd*   ) (resid   2 and name he#   ) 3.92  0.72  0.67
assign (resid   16 and name hd1   ) (resid   15 and name hb*   ) 4.32 0.86  1.12
assign (resid   16 and name hd1   ) (resid   15 and name hb*   ) 4.11  0.78  0.77
assign (resid   17 and name hb1   ) (resid   2 and name hd1   ) 4.69  0.97  1.19
assign (resid   17 and name hb1   ) (resid   5 and name hh2   ) 4.32 0.86  1.12
assign (resid   17 and name hb2   ) (resid   2 and name hd1   ) 3.92  0.72  0.67
assign (resid   17 and name hd1   ) (resid   5 and name hh2   ) 4.09  0.78  0.97
assign (resid   18 and name ha   ) (resid   18 and name hb2   ) 3.11  0.47  0.37
assign (resid   18 and name hb2   ) (resid   19 and name hn  )  3.61  0.63  0.74
assign (resid   18 and name hd1  ) (resid   5 and name he1   ) 5.25  1.00  1.00
assign (resid   18 and name hd2  ) (resid   5 and name he3   ) 3.91  0.62  0.64
assign (resid   18 and name hd2  ) (resid   5 and name hn   ) 5.50  1.00  1.00
assign (resid   18 and name hd2  ) (resid   17 and name hb1   ) 4.05 0.71 0.94
assign (resid   18 and name hd2  ) (resid   17 and name hb2   ) 3.80  0.69  0.62
assign (resid   12 and name ha   ) (resid   14 and name hn    ) 3.80  0.50  0.70
assign (resid    5 and name he3  ) (resid   17 and name hb1  )  3.80  0.50  0.60
assign (resid    5 and name hh2  ) (resid   17 and name hb1  )  3.80  0.50  0.60
assign (resid   10 and name ha2  ) (resid    5 and name he3  )  3.80  0.40  0.50
assign (resid    5 and name he3  ) (resid   18 and name hd2  )  4.00  0.60  0.70
assign (resid    5 and name hz2  ) (resid   10 and name ha1  )  4.00  0.60  0.60
assign (resid    5 and name he3  ) (resid   17 and name hb1  )  3.80  0.50  0.60
assign (resid    2 and name he2  ) (resid    5 and name hz3  )  3.10  0.40  0.40
assign (resid    17 and name hg1  ) (resid   5 and name hh2  )  3.80  0.65  0.94
assign (resid   13 and name og   ) (resid   15 and name hn  )   3.10  0.25  0.25 !Artifical H-bond
assign (resid   13 and name og   )  (resid   10 and name o  )   2.85  0.20  0.20 !Artifical H-bond
assign (resid   13 and name hb2   ) (resid   8 and name hb2  )   4.00  0.60  0.60
assign (resid   13 and name hb2   ) (resid   8 and name hb1  )   4.40  0.60  0.60
assign (resid   13 and name hb2   ) (resid   15 and name hn  )   3.80  0.50  0.60
!Termini
assign (resid   19 and name ha  ) (resid    19 and name h1   )  3.81  0.69  0.62 
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   ACE   1           HA2      ALA   1  19.652   0.773  -6.477
    2    H2   ACE   1           HA3      ALA   1  20.588   1.583  -7.742
    3    H3   ACE   1           HA1      ALA   1  20.333   2.379  -6.182
    4    H    ALA   2           HN       ALA   1  22.802   1.532  -7.685
    5    HA   ALA   2           HA       ALA   1  24.005  -0.609  -6.250
    6    HB1  ALA   2           HB2      ALA   1  26.076   0.074  -7.317
    7    HB2  ALA   2           HB3      ALA   1  25.344   1.603  -7.805
    8    HB3  ALA   2           HB1      ALA   1  24.754   0.086  -8.485
    9    H    TYR   3           HN       TYR   2  24.370   2.936  -6.024
   10    HA   TYR   3           HA       TYR   2  26.152   2.874  -3.821
   11    HB2  TYR   3           HB2      TYR   2  25.800   4.810  -5.408
   12    HB3  TYR   3           HB1      TYR   2  24.295   5.143  -4.558
   13    HD1  TYR   3           HD1      TYR   2  27.910   5.425  -4.477
   14    HD2  TYR   3           HD2      TYR   2  24.352   5.870  -2.184
   15    HE1  TYR   3           HE1      TYR   2  29.143   6.779  -2.836
   16    HE2  TYR   3           HE2      TYR   2  25.581   7.223  -0.536
   17    HH   TYR   3           HH       TYR   2  28.684   7.268  -0.134
   18    H    ALA   4           HN       ALA   3  22.628   3.200  -4.067
   19    HA   ALA   4           HA       ALA   3  22.090   3.726  -1.364
   20    HB1  ALA   4           HB1      ALA   3  20.333   2.235  -3.310
   21    HB2  ALA   4           HB2      ALA   3  20.455   3.991  -3.197
   22    HB3  ALA   4           HB3      ALA   3  19.819   3.061  -1.839
   23    H    GLN   5           HN       GLN   4  22.450   0.666  -3.121
   24    HA   GLN   5           HA       GLN   4  21.724  -1.039  -0.984
   25    HB2  GLN   5           HB2      GLN   4  21.840  -1.737  -3.374
   26    HB3  GLN   5           HB1      GLN   4  23.593  -1.639  -3.287
   27    HG2  GLN   5           HG2      GLN   4  23.781  -3.588  -2.186
   28    HG3  GLN   5           HG1      GLN   4  22.327  -3.311  -1.228
   29   HE21  GLN   5          HE21      GLN   4  20.295  -3.847  -2.128
   30   HE22  GLN   5          HE22      GLN   4  20.165  -4.979  -3.426
   31    H    TRP   6           HN       TRP   5  24.806   0.339  -2.036
   32    HA   TRP   6           HA       TRP   5  26.576  -1.060  -0.427
   33    HB2  TRP   6           HB2      TRP   5  27.421   0.431  -2.103
   34    HB3  TRP   6           HB1      TRP   5  26.623   1.813  -1.365
   35    HD1  TRP   6           HD1      TRP   5  29.451  -0.696  -0.478
   36    HE1  TRP   6           HE1      TRP   5  31.199   0.554   0.933
   37    HE3  TRP   6           HE3      TRP   5  27.106   3.831  -0.104
   38    HZ2  TRP   6           HZ2      TRP   5  31.543   3.118   2.056
   39    HZ3  TRP   6           HZ3      TRP   5  28.214   5.632   1.157
   40    HH2  TRP   6           HH2      TRP   5  30.387   5.278   2.214
   41    H    LEU   7           HN       LEU   6  24.638   1.813   0.357
   42    HA   LEU   7           HA       LEU   6  25.661   2.193   2.969
   43    HB2  LEU   7           HB2      LEU   6  23.050   3.010   1.699
   44    HB3  LEU   7           HB1      LEU   6  23.518   3.485   3.321
   45    HG   LEU   7           HG       LEU   6  25.112   4.160   0.851
   46   HD11  LEU   7          HD11      LEU   6  22.799   5.491   2.133
   47   HD12  LEU   7          HD12      LEU   6  23.313   5.479   0.446
   48   HD13  LEU   7          HD13      LEU   6  24.137   6.516   1.612
   49   HD21  LEU   7          HD21      LEU   6  25.242   5.181   3.688
   50   HD22  LEU   7          HD22      LEU   6  26.202   5.780   2.336
   51   HD23  LEU   7          HD23      LEU   6  26.419   4.125   2.906
   52    H    ALA   8           HN       ALA   7  22.934   0.338   1.693
   53    HA   ALA   8           HA       ALA   7  21.742  -0.380   4.130
   54    HB1  ALA   8           HB1      ALA   7  20.307  -1.524   2.850
   55    HB2  ALA   8           HB2      ALA   7  21.593  -2.428   2.049
   56    HB3  ALA   8           HB3      ALA   7  21.174  -0.809   1.491
   57    H    ASP   9           HN       ASP   8  24.461  -1.774   2.368
   58    HA   ASP   9           HA       ASP   8  24.633  -4.148   3.944
   59    HB2  ASP   9           HB2      ASP   8  26.880  -2.903   2.351
   60    HB3  ASP   9           HB1      ASP   8  26.689  -4.592   2.803
   61    H    DAL  10           HN       DAL   9  25.495  -0.900   4.562
   62    HA   DAL  10           HA       DAL   9  27.345  -1.722   6.702
   63    HB1  DAL  10           HB1      DAL   9  25.407   0.532   7.062
   64    HB2  DAL  10           HB2      DAL   9  26.271  -0.400   8.284
   65    HB3  DAL  10           HB3      DAL   9  24.938  -1.135   7.394
   66    H    GLY  11           HN       GLY  10  27.504  -0.304   3.895
   67    HA2  GLY  11           HA2      GLY  10  28.698   1.407   2.936
   68    HA3  GLY  11           HA1      GLY  10  28.454   2.322   4.416
   69    HA   PRO  12           HA       PRO  11  32.954   1.855   4.498
   70    HB2  PRO  12           HB2      PRO  11  32.663   3.499   6.938
   71    HB3  PRO  12           HB1      PRO  11  33.628   3.795   5.489
   72    HG2  PRO  12           HG2      PRO  11  31.407   5.203   5.998
   73    HG3  PRO  12           HG1      PRO  11  31.861   4.748   4.344
   74    HD2  PRO  12           HD2      PRO  11  29.807   3.530   6.150
   75    HD3  PRO  12           HD1      PRO  11  29.727   3.853   4.406
   76    H    ALA  13           HN       ALA  12  30.662   1.220   7.084
   77    HA   ALA  13           HA       ALA  12  32.496   0.058   8.914
   78    HB1  ALA  13           HB1      ALA  12  30.689  -0.367  10.257
   79    HB2  ALA  13           HB2      ALA  12  29.624  -0.738   8.901
   80    HB3  ALA  13           HB3      ALA  12  30.050   0.936   9.255
   81    H    SER  14           HN       SER  13  30.524  -1.274   6.292
   82    HA   SER  14           HA       SER  13  30.914  -4.002   6.922
   83    HB2  SER  14           HB2      SER  13  30.099  -4.475   4.689
   84    HB3  SER  14           HB1      SER  13  29.152  -3.158   5.374
   85    HG   SER  14           HG       SER  13  30.040  -1.773   3.993
   86    H    DAL  15           HN       DAL  14  32.917  -1.665   5.277
   87    HA   DAL  15           HA       DAL  14  35.071  -3.621   5.138
   88    HB1  DAL  15           HB1      DAL  14  35.101  -0.650   4.616
   89    HB2  DAL  15           HB2      DAL  14  36.515  -1.702   4.687
   90    HB3  DAL  15           HB3      DAL  14  35.537  -1.440   6.131
   91    H    NVA  16           HN       NVA  15  33.058  -1.674   3.010
   92    HA   NVA  16           HA       NVA  15  34.364  -2.900   0.673
   93    HB2  NVA  16           HB1      NVA  15  31.398  -2.511   1.125
   94    HB3  NVA  16           HB2      NVA  15  32.249  -4.047   1.142
   95    HG2  NVA  16           HG1      NVA  15  32.809  -3.761  -1.227
   96    HG3  NVA  16           HG2      NVA  15  31.928  -2.229  -1.239
   97    HD1  NVA  16           HD1      NVA  15  30.783  -4.966  -0.721
   98    HD2  NVA  16           HD2      NVA  15  30.528  -3.962  -2.148
   99    HD3  NVA  16           HD3      NVA  15  29.882  -3.456  -0.588
  100    HA   PRO  17           HA       PRO  16  34.604   1.317  -0.703
  101    HB2  PRO  17           HB2      PRO  16  35.273   0.885  -3.288
  102    HB3  PRO  17           HB1      PRO  16  36.408   0.629  -1.958
  103    HG2  PRO  17           HG2      PRO  16  34.767  -1.372  -3.460
  104    HG3  PRO  17           HG1      PRO  16  36.459  -1.477  -2.942
  105    HD2  PRO  17           HD2      PRO  16  34.417  -2.676  -1.602
  106    HD3  PRO  17           HD1      PRO  16  35.895  -2.102  -0.804
  107    HA   PRO  18           HA       PRO  17  30.406   2.001  -2.135
  108    HB2  PRO  18           HB2      PRO  17  30.867   4.654  -2.838
  109    HB3  PRO  18           HB1      PRO  17  30.373   4.092  -1.239
  110    HG2  PRO  18           HG2      PRO  17  33.096   4.781  -2.249
  111    HG3  PRO  18           HG1      PRO  17  32.371   5.100  -0.662
  112    HD2  PRO  18           HD2      PRO  17  34.138   3.126  -0.997
  113    HD3  PRO  18           HD1      PRO  17  32.736   2.923   0.076
  114    HA   PRO  19           HA       PRO  18  31.059   1.449  -6.515
  115    HB2  PRO  19           HB2      PRO  18  28.473   1.363  -7.290
  116    HB3  PRO  19           HB1      PRO  18  29.248   0.033  -6.422
  117    HG2  PRO  19           HG2      PRO  18  27.440   2.175  -5.383
  118    HG3  PRO  19           HG1      PRO  18  27.467   0.447  -4.994
  119    HD2  PRO  19           HD2      PRO  18  28.568   2.370  -3.402
  120    HD3  PRO  19           HD1      PRO  18  29.146   0.695  -3.455
  121    H    SER  20           HN       SER  19  31.513   2.871  -8.072
  122    HA   SER  20           HA       SER  19  30.089   5.453  -8.081
  123    HB2  SER  20           HB2      SER  19  32.917   4.864  -8.992
  124    HB3  SER  20           HB1      SER  19  32.130   6.441  -9.038
  125    HG   SER  20           HG       SER  19  32.158   6.528  -6.847
  126    HN1  NH2  21           H2       SER  19  31.886   3.292 -10.281
  127    HN2  NH2  21           H1       SER  19  30.867   3.564 -11.650
  Start of MODEL    2
    1    H1   ACE   1           HA2      ALA   1  20.191   1.883  -6.886
    2    H2   ACE   1           HA3      ALA   1  19.693   0.338  -7.570
    3    H3   ACE   1           HA1      ALA   1  20.208   1.672  -8.635
    4    H    ALA   2           HN       ALA   1  22.214   2.114  -6.238
    5    HA   ALA   2           HA       ALA   1  24.058  -0.074  -6.546
    6    HB1  ALA   2           HB2      ALA   1  24.543   2.529  -7.962
    7    HB2  ALA   2           HB3      ALA   1  24.659   0.886  -8.593
    8    HB3  ALA   2           HB1      ALA   1  25.874   1.485  -7.462
    9    H    TYR   3           HN       TYR   2  24.296   3.438  -5.882
   10    HA   TYR   3           HA       TYR   2  26.061   3.133  -3.702
   11    HB2  TYR   3           HB2      TYR   2  25.733   5.230  -5.047
   12    HB3  TYR   3           HB1      TYR   2  24.207   5.469  -4.202
   13    HD1  TYR   3           HD1      TYR   2  27.844   5.622  -3.948
   14    HD2  TYR   3           HD2      TYR   2  24.182   6.056  -1.822
   15    HE1  TYR   3           HE1      TYR   2  29.040   6.779  -2.137
   16    HE2  TYR   3           HE2      TYR   2  25.372   7.217  -0.007
   17    HH   TYR   3           HH       TYR   2  27.910   8.662  -0.094
   18    H    ALA   4           HN       ALA   3  22.535   3.418  -3.877
   19    HA   ALA   4           HA       ALA   3  22.017   3.704  -1.135
   20    HB1  ALA   4           HB1      ALA   3  20.294   4.136  -2.747
   21    HB2  ALA   4           HB2      ALA   3  19.755   2.837  -1.683
   22    HB3  ALA   4           HB3      ALA   3  20.334   2.464  -3.306
   23    H    GLN   5           HN       GLN   4  22.399   0.799  -3.140
   24    HA   GLN   5           HA       GLN   4  21.754  -1.080  -1.126
   25    HB2  GLN   5           HB2      GLN   4  22.625  -1.142  -3.849
   26    HB3  GLN   5           HB1      GLN   4  23.656  -2.218  -2.916
   27    HG2  GLN   5           HG2      GLN   4  20.694  -2.364  -2.598
   28    HG3  GLN   5           HG1      GLN   4  21.467  -3.107  -3.997
   29   HE21  GLN   5          HE21      GLN   4  21.217  -5.220  -3.530
   30   HE22  GLN   5          HE22      GLN   4  21.860  -5.995  -2.126
   31    H    TRP   6           HN       TRP   5  24.759   0.497  -2.076
   32    HA   TRP   6           HA       TRP   5  26.602  -1.015  -0.638
   33    HB2  TRP   6           HB2      TRP   5  27.382   0.620  -2.206
   34    HB3  TRP   6           HB1      TRP   5  26.567   1.921  -1.349
   35    HD1  TRP   6           HD1      TRP   5  29.455  -0.591  -0.689
   36    HE1  TRP   6           HE1      TRP   5  31.211   0.596   0.766
   37    HE3  TRP   6           HE3      TRP   5  27.050   3.865   0.022
   38    HZ2  TRP   6           HZ2      TRP   5  31.540   3.084   2.045
   39    HZ3  TRP   6           HZ3      TRP   5  28.158   5.597   1.377
   40    HH2  TRP   6           HH2      TRP   5  30.358   5.210   2.366
   41    H    LEU   7           HN       LEU   6  24.628   1.749   0.399
   42    HA   LEU   7           HA       LEU   6  25.688   1.955   3.012
   43    HB2  LEU   7           HB2      LEU   6  23.066   2.819   1.810
   44    HB3  LEU   7           HB1      LEU   6  23.476   3.128   3.486
   45    HG   LEU   7           HG       LEU   6  25.031   4.141   1.104
   46   HD11  LEU   7          HD11      LEU   6  24.128   6.357   2.211
   47   HD12  LEU   7          HD12      LEU   6  22.833   5.285   2.746
   48   HD13  LEU   7          HD13      LEU   6  23.174   5.465   1.024
   49   HD21  LEU   7          HD21      LEU   6  25.328   4.662   4.061
   50   HD22  LEU   7          HD22      LEU   6  26.176   5.541   2.789
   51   HD23  LEU   7          HD23      LEU   6  26.472   3.817   3.017
   52    H    ALA   8           HN       ALA   7  23.057   0.056   1.630
   53    HA   ALA   8           HA       ALA   7  21.844  -0.823   3.997
   54    HB1  ALA   8           HB1      ALA   7  20.727  -2.419   2.693
   55    HB2  ALA   8           HB2      ALA   7  22.040  -2.508   1.519
   56    HB3  ALA   8           HB3      ALA   7  21.021  -1.070   1.595
   57    H    ASP   9           HN       ASP   8  24.685  -2.023   2.276
   58    HA   ASP   9           HA       ASP   8  24.928  -4.422   3.810
   59    HB2  ASP   9           HB2      ASP   8  27.200  -3.101   2.334
   60    HB3  ASP   9           HB1      ASP   8  26.953  -4.812   2.653
   61    H    DAL  10           HN       DAL   9  25.638  -1.157   4.496
   62    HA   DAL  10           HA       DAL   9  27.470  -1.937   6.664
   63    HB1  DAL  10           HB1      DAL   9  24.889  -1.167   7.052
   64    HB2  DAL  10           HB2      DAL   9  25.750   0.363   7.229
   65    HB3  DAL  10           HB3      DAL   9  26.180  -1.014   8.244
   66    H    GLY  11           HN       GLY  10  27.640  -0.478   3.870
   67    HA2  GLY  11           HA2      GLY  10  28.798   1.282   2.958
   68    HA3  GLY  11           HA1      GLY  10  28.525   2.159   4.453
   69    HA   PRO  12           HA       PRO  11  33.036   1.778   4.527
   70    HB2  PRO  12           HB2      PRO  11  32.724   3.440   6.949
   71    HB3  PRO  12           HB1      PRO  11  33.672   3.742   5.490
   72    HG2  PRO  12           HG2      PRO  11  31.425   5.107   6.007
   73    HG3  PRO  12           HG1      PRO  11  31.882   4.658   4.354
   74    HD2  PRO  12           HD2      PRO  11  29.860   3.404   6.171
   75    HD3  PRO  12           HD1      PRO  11  29.767   3.717   4.425
   76    H    ALA  13           HN       ALA  12  30.765   1.125   7.130
   77    HA   ALA  13           HA       ALA  12  32.619   0.045   8.979
   78    HB1  ALA  13           HB1      ALA  12  30.437  -1.103   9.851
   79    HB2  ALA  13           HB2      ALA  12  29.653  -0.015   8.704
   80    HB3  ALA  13           HB3      ALA  12  30.654   0.641   9.999
   81    H    SER  14           HN       SER  13  30.640  -1.446   6.434
   82    HA   SER  14           HA       SER  13  31.263  -4.125   7.118
   83    HB2  SER  14           HB2      SER  13  30.408  -4.680   4.858
   84    HB3  SER  14           HB1      SER  13  29.323  -3.613   5.745
   85    HG   SER  14           HG       SER  13  29.693  -2.058   4.353
   86    H    DAL  15           HN       DAL  14  33.001  -1.697   5.336
   87    HA   DAL  15           HA       DAL  14  35.243  -3.528   5.036
   88    HB1  DAL  15           HB1      DAL  14  36.528  -1.527   4.447
   89    HB2  DAL  15           HB2      DAL  14  35.667  -1.320   5.972
   90    HB3  DAL  15           HB3      DAL  14  35.051  -0.565   4.502
   91    H    NVA  16           HN       NVA  15  33.029  -1.648   3.037
   92    HA   NVA  16           HA       NVA  15  34.149  -2.942   0.638
   93    HB2  NVA  16           HB1      NVA  15  31.248  -2.423   1.327
   94    HB3  NVA  16           HB2      NVA  15  32.034  -3.990   1.210
   95    HG2  NVA  16           HG1      NVA  15  32.521  -3.021  -1.263
   96    HG3  NVA  16           HG2      NVA  15  30.975  -2.246  -0.904
   97    HD1  NVA  16           HD1      NVA  15  30.280  -4.642  -0.145
   98    HD2  NVA  16           HD2      NVA  15  31.630  -5.144  -1.163
   99    HD3  NVA  16           HD3      NVA  15  30.294  -4.226  -1.858
  100    HA   PRO  17           HA       PRO  16  34.576   1.254  -0.779
  101    HB2  PRO  17           HB2      PRO  16  35.104   0.744  -3.391
  102    HB3  PRO  17           HB1      PRO  16  36.289   0.492  -2.104
  103    HG2  PRO  17           HG2      PRO  16  34.529  -1.501  -3.478
  104    HG3  PRO  17           HG1      PRO  16  36.237  -1.640  -3.024
  105    HD2  PRO  17           HD2      PRO  16  34.234  -2.751  -1.572
  106    HD3  PRO  17           HD1      PRO  16  35.743  -2.172  -0.841
  107    HA   PRO  18           HA       PRO  17  30.363   2.094  -2.100
  108    HB2  PRO  18           HB2      PRO  17  30.842   4.758  -2.685
  109    HB3  PRO  18           HB1      PRO  17  30.430   4.135  -1.085
  110    HG2  PRO  18           HG2      PRO  17  33.110   4.810  -2.225
  111    HG3  PRO  18           HG1      PRO  17  32.476   5.108  -0.596
  112    HD2  PRO  18           HD2      PRO  17  34.175   3.100  -1.072
  113    HD3  PRO  18           HD1      PRO  17  32.833   2.911   0.078
  114    HA   PRO  19           HA       PRO  18  30.915   1.710  -6.511
  115    HB2  PRO  19           HB2      PRO  18  28.317   1.772  -7.240
  116    HB3  PRO  19           HB1      PRO  18  29.043   0.373  -6.442
  117    HG2  PRO  19           HG2      PRO  18  27.365   2.558  -5.275
  118    HG3  PRO  19           HG1      PRO  18  27.299   0.813  -4.972
  119    HD2  PRO  19           HD2      PRO  18  28.528   2.577  -3.299
  120    HD3  PRO  19           HD1      PRO  18  29.034   0.885  -3.469
  121    H    SER  20           HN       SER  19  30.911   2.989  -8.347
  122    HA   SER  20           HA       SER  19  29.942   5.753  -8.001
  123    HB2  SER  20           HB2      SER  19  32.427   4.772  -9.425
  124    HB3  SER  20           HB1      SER  19  31.833   6.432  -9.498
  125    HG   SER  20           HG       SER  19  33.016   5.047  -7.379
  126    HN1  NH2  21           H2       SER  19  28.539   6.465  -9.471
  127    HN2  NH2  21           H1       SER  19  28.207   5.725 -10.996
  Start of MODEL    3
    1    H1   ACE   1           HA2      ALA   1  20.503   3.273  -7.907
    2    H2   ACE   1           HA3      ALA   1  20.273   2.721  -6.242
    3    H3   ACE   1           HA1      ALA   1  20.321   1.547  -7.566
    4    H    ALA   2           HN       ALA   1  22.025   0.407  -6.619
    5    HA   ALA   2           HA       ALA   1  24.202  -0.217  -6.477
    6    HB1  ALA   2           HB2      ALA   1  25.580   2.141  -7.388
    7    HB2  ALA   2           HB3      ALA   1  24.254   1.736  -8.476
    8    HB3  ALA   2           HB1      ALA   1  25.495   0.537  -8.114
    9    H    TYR   3           HN       TYR   2  24.387   3.321  -5.916
   10    HA   TYR   3           HA       TYR   2  26.122   3.078  -3.705
   11    HB2  TYR   3           HB2      TYR   2  25.804   5.134  -5.126
   12    HB3  TYR   3           HB1      TYR   2  24.281   5.404  -4.284
   13    HD1  TYR   3           HD1      TYR   2  27.914   5.587  -4.060
   14    HD2  TYR   3           HD2      TYR   2  24.272   6.028  -1.903
   15    HE1  TYR   3           HE1      TYR   2  29.118   6.799  -2.292
   16    HE2  TYR   3           HE2      TYR   2  25.469   7.245  -0.130
   17    HH   TYR   3           HH       TYR   2  28.039   8.713  -0.310
   18    H    ALA   4           HN       ALA   3  22.601   3.389  -3.934
   19    HA   ALA   4           HA       ALA   3  22.056   3.729  -1.201
   20    HB1  ALA   4           HB1      ALA   3  20.384   2.499  -3.387
   21    HB2  ALA   4           HB2      ALA   3  20.358   4.172  -2.830
   22    HB3  ALA   4           HB3      ALA   3  19.785   2.883  -1.773
   23    H    GLN   5           HN       GLN   4  22.409   0.794  -3.166
   24    HA   GLN   5           HA       GLN   4  21.713  -1.059  -1.146
   25    HB2  GLN   5           HB2      GLN   4  22.443  -1.181  -3.848
   26    HB3  GLN   5           HB1      GLN   4  23.688  -2.094  -3.005
   27    HG2  GLN   5           HG2      GLN   4  22.077  -3.678  -3.558
   28    HG3  GLN   5           HG1      GLN   4  21.775  -3.325  -1.858
   29   HE21  GLN   5          HE21      GLN   4  19.660  -3.512  -1.558
   30   HE22  GLN   5          HE22      GLN   4  18.436  -2.781  -2.532
   31    H    TRP   6           HN       TRP   5  24.738   0.485  -2.064
   32    HA   TRP   6           HA       TRP   5  26.547  -1.043  -0.585
   33    HB2  TRP   6           HB2      TRP   5  27.368   0.535  -2.189
   34    HB3  TRP   6           HB1      TRP   5  26.573   1.874  -1.374
   35    HD1  TRP   6           HD1      TRP   5  29.434  -0.651  -0.672
   36    HE1  TRP   6           HE1      TRP   5  31.197   0.542   0.772
   37    HE3  TRP   6           HE3      TRP   5  27.049   3.823   0.006
   38    HZ2  TRP   6           HZ2      TRP   5  31.539   3.039   2.031
   39    HZ3  TRP   6           HZ3      TRP   5  28.165   5.561   1.344
   40    HH2  TRP   6           HH2      TRP   5  30.366   5.173   2.334
   41    H    LEU   7           HN       LEU   6  24.573   1.743   0.371
   42    HA   LEU   7           HA       LEU   6  25.634   2.020   2.982
   43    HB2  LEU   7           HB2      LEU   6  23.023   2.874   1.746
   44    HB3  LEU   7           HB1      LEU   6  23.435   3.231   3.412
   45    HG   LEU   7           HG       LEU   6  25.036   4.138   1.017
   46   HD11  LEU   7          HD11      LEU   6  22.769   5.344   2.500
   47   HD12  LEU   7          HD12      LEU   6  23.215   5.480   0.798
   48   HD13  LEU   7          HD13      LEU   6  24.093   6.404   2.018
   49   HD21  LEU   7          HD21      LEU   6  26.160   5.595   2.638
   50   HD22  LEU   7          HD22      LEU   6  26.387   3.891   3.028
   51   HD23  LEU   7          HD23      LEU   6  25.230   4.857   3.942
   52    H    ALA   8           HN       ALA   7  23.013   0.086   1.637
   53    HA   ALA   8           HA       ALA   7  21.760  -0.708   4.011
   54    HB1  ALA   8           HB1      ALA   7  20.692  -2.384   2.744
   55    HB2  ALA   8           HB2      ALA   7  22.014  -2.457   1.578
   56    HB3  ALA   8           HB3      ALA   7  20.959  -1.044   1.628
   57    H    ASP   9           HN       ASP   8  24.626  -1.988   2.383
   58    HA   ASP   9           HA       ASP   8  24.840  -4.314   4.036
   59    HB2  ASP   9           HB2      ASP   8  27.127  -3.073   2.514
   60    HB3  ASP   9           HB1      ASP   8  26.883  -4.764   2.930
   61    H    DAL  10           HN       DAL   9  25.548  -1.025   4.575
   62    HA   DAL  10           HA       DAL   9  27.355  -1.722   6.795
   63    HB1  DAL  10           HB1      DAL   9  26.265   0.220   8.010
   64    HB2  DAL  10           HB2      DAL   9  25.292  -1.238   7.814
   65    HB3  DAL  10           HB3      DAL   9  25.010   0.156   6.772
   66    H    GLY  11           HN       GLY  10  27.488  -0.349   3.904
   67    HA2  GLY  11           HA2      GLY  10  28.743   1.285   2.906
   68    HA3  GLY  11           HA1      GLY  10  28.506   2.250   4.355
   69    HA   PRO  12           HA       PRO  11  32.991   1.709   4.511
   70    HB2  PRO  12           HB2      PRO  11  32.707   3.353   6.950
   71    HB3  PRO  12           HB1      PRO  11  33.689   3.635   5.508
   72    HG2  PRO  12           HG2      PRO  11  31.489   5.079   5.999
   73    HG3  PRO  12           HG1      PRO  11  31.950   4.619   4.350
   74    HD2  PRO  12           HD2      PRO  11  29.859   3.434   6.136
   75    HD3  PRO  12           HD1      PRO  11  29.799   3.761   4.391
   76    H    ALA  13           HN       ALA  12  30.672   1.117   7.088
   77    HA   ALA  13           HA       ALA  12  32.451  -0.053   8.948
   78    HB1  ALA  13           HB1      ALA  12  29.472  -0.338   8.601
   79    HB2  ALA  13           HB2      ALA  12  30.331   0.729   9.712
   80    HB3  ALA  13           HB3      ALA  12  30.377  -1.017   9.954
   81    H    SER  14           HN       SER  13  30.582  -1.419   6.264
   82    HA   SER  14           HA       SER  13  31.083  -4.137   6.932
   83    HB2  SER  14           HB2      SER  13  30.254  -4.648   4.683
   84    HB3  SER  14           HB1      SER  13  29.212  -3.471   5.481
   85    HG   SER  14           HG       SER  13  29.680  -2.077   3.983
   86    H    DAL  15           HN       DAL  14  32.943  -1.714   5.275
   87    HA   DAL  15           HA       DAL  14  35.164  -3.574   5.042
   88    HB1  DAL  15           HB1      DAL  14  35.602  -1.388   6.001
   89    HB2  DAL  15           HB2      DAL  14  35.019  -0.603   4.532
   90    HB3  DAL  15           HB3      DAL  14  36.490  -1.577   4.489
   91    H    NVA  16           HN       NVA  15  33.032  -1.693   2.962
   92    HA   NVA  16           HA       NVA  15  34.274  -2.942   0.601
   93    HB2  NVA  16           HB1      NVA  15  31.324  -2.498   1.118
   94    HB3  NVA  16           HB2      NVA  15  32.152  -4.047   1.139
   95    HG2  NVA  16           HG1      NVA  15  32.316  -2.420  -1.342
   96    HG3  NVA  16           HG2      NVA  15  30.792  -3.230  -0.965
   97    HD1  NVA  16           HD1      NVA  15  33.492  -4.542  -1.215
   98    HD2  NVA  16           HD2      NVA  15  32.171  -4.635  -2.379
   99    HD3  NVA  16           HD3      NVA  15  31.993  -5.364  -0.783
  100    HA   PRO  17           HA       PRO  16  34.618   1.258  -0.806
  101    HB2  PRO  17           HB2      PRO  16  35.180   0.776  -3.416
  102    HB3  PRO  17           HB1      PRO  16  36.355   0.530  -2.119
  103    HG2  PRO  17           HG2      PRO  16  34.631  -1.477  -3.519
  104    HG3  PRO  17           HG1      PRO  16  36.340  -1.595  -3.063
  105    HD2  PRO  17           HD2      PRO  16  34.358  -2.749  -1.620
  106    HD3  PRO  17           HD1      PRO  16  35.851  -2.139  -0.880
  107    HA   PRO  18           HA       PRO  17  30.388   2.036  -2.114
  108    HB2  PRO  18           HB2      PRO  17  30.864   4.704  -2.736
  109    HB3  PRO  18           HB1      PRO  17  30.409   4.092  -1.144
  110    HG2  PRO  18           HG2      PRO  17  33.115   4.774  -2.211
  111    HG3  PRO  18           HG1      PRO  17  32.439   5.066  -0.597
  112    HD2  PRO  18           HD2      PRO  17  34.162   3.071  -1.021
  113    HD3  PRO  18           HD1      PRO  17  32.781   2.863   0.077
  114    HA   PRO  19           HA       PRO  18  30.951   1.664  -6.527
  115    HB2  PRO  19           HB2      PRO  18  28.360   1.469  -7.228
  116    HB3  PRO  19           HB1      PRO  18  29.204   0.162  -6.390
  117    HG2  PRO  19           HG2      PRO  18  27.331   2.216  -5.293
  118    HG3  PRO  19           HG1      PRO  18  27.443   0.488  -4.918
  119    HD2  PRO  19           HD2      PRO  18  28.511   2.475  -3.352
  120    HD3  PRO  19           HD1      PRO  18  29.113   0.808  -3.389
  121    H    SER  20           HN       SER  19  31.358   3.214  -7.970
  122    HA   SER  20           HA       SER  19  29.487   5.419  -8.339
  123    HB2  SER  20           HB2      SER  19  32.378   5.793  -7.536
  124    HB3  SER  20           HB1      SER  19  31.421   7.066  -8.295
  125    HG   SER  20           HG       SER  19  30.109   7.138  -6.538
  126    HN1  NH2  21           H2       SER  19  29.186   5.737 -10.440
  127    HN2  NH2  21           H1       SER  19  30.292   5.329 -11.702
  Start of MODEL    4
    1    H1   ACE   1           HA2      ALA   1  19.802   1.074  -7.132
    2    H2   ACE   1           HA3      ALA   1  20.710   2.575  -7.370
    3    H3   ACE   1           HA1      ALA   1  19.908   2.261  -5.824
    4    H    ALA   2           HN       ALA   1  22.751   1.890  -7.663
    5    HA   ALA   2           HA       ALA   1  23.905  -0.319  -6.296
    6    HB1  ALA   2           HB2      ALA   1  24.747   0.317  -8.458
    7    HB2  ALA   2           HB3      ALA   1  26.040   0.487  -7.271
    8    HB3  ALA   2           HB1      ALA   1  25.190   1.915  -7.861
    9    H    TYR   3           HN       TYR   2  24.303   3.207  -5.922
   10    HA   TYR   3           HA       TYR   2  26.095   3.048  -3.737
   11    HB2  TYR   3           HB2      TYR   2  25.728   5.057  -5.229
   12    HB3  TYR   3           HB1      TYR   2  24.232   5.347  -4.346
   13    HD1  TYR   3           HD1      TYR   2  27.859   5.581  -4.268
   14    HD2  TYR   3           HD2      TYR   2  24.304   5.992  -1.964
   15    HE1  TYR   3           HE1      TYR   2  29.112   6.841  -2.569
   16    HE2  TYR   3           HE2      TYR   2  25.552   7.252  -0.258
   17    HH   TYR   3           HH       TYR   2  28.709   7.235   0.101
   18    H    ALA   4           HN       ALA   3  22.568   3.361  -3.937
   19    HA   ALA   4           HA       ALA   3  22.060   3.759  -1.203
   20    HB1  ALA   4           HB1      ALA   3  19.776   2.990  -1.710
   21    HB2  ALA   4           HB2      ALA   3  20.325   2.456  -3.299
   22    HB3  ALA   4           HB3      ALA   3  20.363   4.170  -2.881
   23    H    GLN   5           HN       GLN   4  22.392   0.800  -3.125
   24    HA   GLN   5           HA       GLN   4  21.698  -1.020  -1.072
   25    HB2  GLN   5           HB2      GLN   4  21.833  -1.498  -3.563
   26    HB3  GLN   5           HB1      GLN   4  23.579  -1.573  -3.371
   27    HG2  GLN   5           HG2      GLN   4  22.357  -3.240  -1.406
   28    HG3  GLN   5           HG1      GLN   4  21.686  -3.622  -2.991
   29   HE21  GLN   5          HE21      GLN   4  22.748  -5.119  -4.073
   30   HE22  GLN   5          HE22      GLN   4  24.429  -5.485  -3.924
   31    H    TRP   6           HN       TRP   5  24.741   0.471  -2.056
   32    HA   TRP   6           HA       TRP   5  26.546  -1.042  -0.571
   33    HB2  TRP   6           HB2      TRP   5  27.373   0.528  -2.179
   34    HB3  TRP   6           HB1      TRP   5  26.582   1.873  -1.368
   35    HD1  TRP   6           HD1      TRP   5  29.425  -0.669  -0.635
   36    HE1  TRP   6           HE1      TRP   5  31.191   0.519   0.804
   37    HE3  TRP   6           HE3      TRP   5  27.083   3.835  -0.020
   38    HZ2  TRP   6           HZ2      TRP   5  31.551   3.027   2.037
   39    HZ3  TRP   6           HZ3      TRP   5  28.212   5.576   1.305
   40    HH2  TRP   6           HH2      TRP   5  30.399   5.176   2.312
   41    H    LEU   7           HN       LEU   6  24.627   1.789   0.386
   42    HA   LEU   7           HA       LEU   6  25.692   2.047   2.994
   43    HB2  LEU   7           HB2      LEU   6  23.067   2.918   1.793
   44    HB3  LEU   7           HB1      LEU   6  23.534   3.300   3.440
   45    HG   LEU   7           HG       LEU   6  25.096   4.136   0.997
   46   HD11  LEU   7          HD11      LEU   6  22.867   5.424   2.486
   47   HD12  LEU   7          HD12      LEU   6  23.234   5.441   0.761
   48   HD13  LEU   7          HD13      LEU   6  24.173   6.437   1.873
   49   HD21  LEU   7          HD21      LEU   6  26.465   3.955   2.995
   50   HD22  LEU   7          HD22      LEU   6  25.307   4.929   3.900
   51   HD23  LEU   7          HD23      LEU   6  26.220   5.650   2.576
   52    H    ALA   8           HN       ALA   7  23.022   0.167   1.664
   53    HA   ALA   8           HA       ALA   7  21.795  -0.621   4.056
   54    HB1  ALA   8           HB1      ALA   7  20.576  -2.131   2.792
   55    HB2  ALA   8           HB2      ALA   7  21.912  -2.440   1.684
   56    HB3  ALA   8           HB3      ALA   7  21.030  -0.915   1.599
   57    H    ASP   9           HN       ASP   8  24.606  -1.928   2.365
   58    HA   ASP   9           HA       ASP   8  24.780  -4.300   3.955
   59    HB2  ASP   9           HB2      ASP   8  27.135  -3.122   2.502
   60    HB3  ASP   9           HB1      ASP   8  26.740  -4.813   2.777
   61    H    DAL  10           HN       DAL   9  25.599  -1.037   4.544
   62    HA   DAL  10           HA       DAL   9  27.418  -1.813   6.725
   63    HB1  DAL  10           HB1      DAL   9  26.357  -0.082   8.127
   64    HB2  DAL  10           HB2      DAL   9  25.247  -1.376   7.677
   65    HB3  DAL  10           HB3      DAL   9  25.163   0.183   6.856
   66    H    GLY  11           HN       GLY  10  27.586  -0.416   3.896
   67    HA2  GLY  11           HA2      GLY  10  28.774   1.296   2.933
   68    HA3  GLY  11           HA1      GLY  10  28.540   2.212   4.412
   69    HA   PRO  12           HA       PRO  11  33.038   1.727   4.475
   70    HB2  PRO  12           HB2      PRO  11  32.768   3.372   6.918
   71    HB3  PRO  12           HB1      PRO  11  33.725   3.664   5.463
   72    HG2  PRO  12           HG2      PRO  11  31.514   5.081   5.985
   73    HG3  PRO  12           HG1      PRO  11  31.958   4.627   4.329
   74    HD2  PRO  12           HD2      PRO  11  29.908   3.415   6.143
   75    HD3  PRO  12           HD1      PRO  11  29.820   3.739   4.399
   76    H    ALA  13           HN       ALA  12  30.764   1.108   7.086
   77    HA   ALA  13           HA       ALA  12  32.603  -0.062   8.901
   78    HB1  ALA  13           HB1      ALA  12  30.581   0.703   9.821
   79    HB2  ALA  13           HB2      ALA  12  30.497  -1.056   9.917
   80    HB3  ALA  13           HB3      ALA  12  29.611  -0.198   8.655
   81    H    SER  14           HN       SER  13  30.603  -1.402   6.301
   82    HA   SER  14           HA       SER  13  31.039  -4.128   6.924
   83    HB2  SER  14           HB2      SER  13  30.161  -4.607   4.715
   84    HB3  SER  14           HB1      SER  13  29.216  -3.309   5.438
   85    HG   SER  14           HG       SER  13  30.031  -1.906   4.032
   86    H    DAL  15           HN       DAL  14  32.966  -1.763   5.239
   87    HA   DAL  15           HA       DAL  14  35.131  -3.697   5.012
   88    HB1  DAL  15           HB1      DAL  14  36.541  -1.762   4.527
   89    HB2  DAL  15           HB2      DAL  14  35.606  -1.514   6.002
   90    HB3  DAL  15           HB3      DAL  14  35.117  -0.723   4.503
   91    H    NVA  16           HN       NVA  15  33.032  -1.757   2.962
   92    HA   NVA  16           HA       NVA  15  34.259  -2.981   0.580
   93    HB2  NVA  16           HB1      NVA  15  31.312  -2.530   1.111
   94    HB3  NVA  16           HB2      NVA  15  32.131  -4.084   1.115
   95    HG2  NVA  16           HG1      NVA  15  32.287  -2.424  -1.348
   96    HG3  NVA  16           HG2      NVA  15  30.772  -3.254  -0.977
   97    HD1  NVA  16           HD1      NVA  15  33.485  -4.525  -1.279
   98    HD2  NVA  16           HD2      NVA  15  32.135  -4.640  -2.407
   99    HD3  NVA  16           HD3      NVA  15  32.015  -5.377  -0.809
  100    HA   PRO  17           HA       PRO  16  34.589   1.241  -0.761
  101    HB2  PRO  17           HB2      PRO  16  35.177   0.803  -3.370
  102    HB3  PRO  17           HB1      PRO  16  36.341   0.534  -2.068
  103    HG2  PRO  17           HG2      PRO  16  34.633  -1.447  -3.523
  104    HG3  PRO  17           HG1      PRO  16  36.337  -1.574  -3.048
  105    HD2  PRO  17           HD2      PRO  16  34.326  -2.749  -1.653
  106    HD3  PRO  17           HD1      PRO  16  35.820  -2.173  -0.888
  107    HA   PRO  18           HA       PRO  17  30.379   2.012  -2.121
  108    HB2  PRO  18           HB2      PRO  17  30.817   4.691  -2.676
  109    HB3  PRO  18           HB1      PRO  17  30.381   4.044  -1.092
  110    HG2  PRO  18           HG2      PRO  17  33.068   4.793  -2.163
  111    HG3  PRO  18           HG1      PRO  17  32.394   5.040  -0.540
  112    HD2  PRO  18           HD2      PRO  17  34.151   3.084  -1.030
  113    HD3  PRO  18           HD1      PRO  17  32.800   2.844   0.098
  114    HA   PRO  19           HA       PRO  18  30.995   1.715  -6.530
  115    HB2  PRO  19           HB2      PRO  18  28.409   1.661  -7.289
  116    HB3  PRO  19           HB1      PRO  18  29.183   0.292  -6.483
  117    HG2  PRO  19           HG2      PRO  18  27.388   2.395  -5.343
  118    HG3  PRO  19           HG1      PRO  18  27.403   0.649  -5.036
  119    HD2  PRO  19           HD2      PRO  18  28.525   2.493  -3.359
  120    HD3  PRO  19           HD1      PRO  18  29.086   0.815  -3.488
  121    H    SER  20           HN       SER  19  31.338   3.180  -8.094
  122    HA   SER  20           HA       SER  19  30.150   5.847  -7.774
  123    HB2  SER  20           HB2      SER  19  32.708   4.859  -8.993
  124    HB3  SER  20           HB1      SER  19  32.037   6.410  -9.498
  125    HG   SER  20           HG       SER  19  33.576   6.234  -7.575
  126    HN1  NH2  21           H2       SER  19  28.524   6.353  -9.068
  127    HN2  NH2  21           H1       SER  19  28.254   5.743 -10.661
  Start of MODEL    5
    1    H1   ACE   1           HA2      ALA   1  19.730   1.021  -7.291
    2    H2   ACE   1           HA3      ALA   1  20.629   2.543  -7.367
    3    H3   ACE   1           HA1      ALA   1  19.749   2.107  -5.894
    4    H    ALA   2           HN       ALA   1  22.671   1.813  -7.662
    5    HA   ALA   2           HA       ALA   1  23.752  -0.429  -6.257
    6    HB1  ALA   2           HB2      ALA   1  25.954   0.818  -7.182
    7    HB2  ALA   2           HB3      ALA   1  24.731   1.525  -8.237
    8    HB3  ALA   2           HB1      ALA   1  24.931  -0.226  -8.171
    9    H    TYR   3           HN       TYR   2  24.245   3.099  -5.992
   10    HA   TYR   3           HA       TYR   2  26.051   2.983  -3.828
   11    HB2  TYR   3           HB2      TYR   2  25.640   4.971  -5.334
   12    HB3  TYR   3           HB1      TYR   2  24.158   5.261  -4.429
   13    HD1  TYR   3           HD1      TYR   2  27.777   5.554  -4.433
   14    HD2  TYR   3           HD2      TYR   2  24.275   5.911  -2.041
   15    HE1  TYR   3           HE1      TYR   2  29.050   6.844  -2.773
   16    HE2  TYR   3           HE2      TYR   2  25.543   7.203  -0.373
   17    HH   TYR   3           HH       TYR   2  28.657   7.233  -0.046
   18    H    ALA   4           HN       ALA   3  22.519   3.277  -3.959
   19    HA   ALA   4           HA       ALA   3  22.064   3.693  -1.218
   20    HB1  ALA   4           HB1      ALA   3  19.786   3.102  -1.645
   21    HB2  ALA   4           HB2      ALA   3  20.230   2.244  -3.120
   22    HB3  ALA   4           HB3      ALA   3  20.386   3.998  -3.040
   23    H    GLN   5           HN       GLN   4  22.414   0.727  -3.122
   24    HA   GLN   5           HA       GLN   4  21.753  -1.101  -1.072
   25    HB2  GLN   5           HB2      GLN   4  22.419  -1.279  -3.757
   26    HB3  GLN   5           HB1      GLN   4  23.768  -2.070  -2.954
   27    HG2  GLN   5           HG2      GLN   4  22.504  -3.800  -2.219
   28    HG3  GLN   5           HG1      GLN   4  21.043  -2.823  -2.081
   29   HE21  GLN   5          HE21      GLN   4  19.850  -2.354  -3.997
   30   HE22  GLN   5          HE22      GLN   4  19.959  -3.393  -5.374
   31    H    TRP   6           HN       TRP   5  24.783   0.416  -2.059
   32    HA   TRP   6           HA       TRP   5  26.600  -1.025  -0.526
   33    HB2  TRP   6           HB2      TRP   5  27.392   0.540  -2.166
   34    HB3  TRP   6           HB1      TRP   5  26.590   1.881  -1.359
   35    HD1  TRP   6           HD1      TRP   5  29.470  -0.621  -0.635
   36    HE1  TRP   6           HE1      TRP   5  31.229   0.596   0.790
   37    HE3  TRP   6           HE3      TRP   5  27.071   3.853  -0.020
   38    HZ2  TRP   6           HZ2      TRP   5  31.563   3.110   2.013
   39    HZ3  TRP   6           HZ3      TRP   5  28.185   5.613   1.294
   40    HH2  TRP   6           HH2      TRP   5  30.386   5.244   2.288
   41    H    LEU   7           HN       LEU   6  24.623   1.789   0.372
   42    HA   LEU   7           HA       LEU   6  25.668   2.097   2.984
   43    HB2  LEU   7           HB2      LEU   6  23.048   2.923   1.744
   44    HB3  LEU   7           HB1      LEU   6  23.477   3.315   3.397
   45    HG   LEU   7           HG       LEU   6  25.063   4.173   0.977
   46   HD11  LEU   7          HD11      LEU   6  23.071   5.369   0.803
   47   HD12  LEU   7          HD12      LEU   6  24.138   6.453   1.695
   48   HD13  LEU   7          HD13      LEU   6  22.905   5.529   2.551
   49   HD21  LEU   7          HD21      LEU   6  26.135   5.709   2.592
   50   HD22  LEU   7          HD22      LEU   6  26.438   4.011   2.956
   51   HD23  LEU   7          HD23      LEU   6  25.251   4.915   3.895
   52    H    ALA   8           HN       ALA   7  22.977   0.214   1.673
   53    HA   ALA   8           HA       ALA   7  21.814  -0.592   4.098
   54    HB1  ALA   8           HB1      ALA   7  20.530  -0.937   2.170
   55    HB2  ALA   8           HB2      ALA   7  20.981  -2.559   2.697
   56    HB3  ALA   8           HB3      ALA   7  21.830  -1.801   1.351
   57    H    ASP   9           HN       ASP   8  24.556  -1.877   2.287
   58    HA   ASP   9           HA       ASP   8  24.792  -4.282   3.811
   59    HB2  ASP   9           HB2      ASP   8  27.001  -2.961   2.228
   60    HB3  ASP   9           HB1      ASP   8  26.840  -4.662   2.642
   61    H    DAL  10           HN       DAL   9  25.589  -1.029   4.486
   62    HA   DAL  10           HA       DAL   9  27.457  -1.857   6.606
   63    HB1  DAL  10           HB1      DAL   9  25.074  -1.321   7.340
   64    HB2  DAL  10           HB2      DAL   9  25.467   0.357   6.968
   65    HB3  DAL  10           HB3      DAL   9  26.389  -0.514   8.193
   66    H    GLY  11           HN       GLY  10  27.592  -0.391   3.814
   67    HA2  GLY  11           HA2      GLY  10  28.817   1.304   2.876
   68    HA3  GLY  11           HA1      GLY  10  28.507   2.232   4.333
   69    HA   PRO  12           HA       PRO  11  33.009   1.845   4.568
   70    HB2  PRO  12           HB2      PRO  11  32.630   3.542   6.956
   71    HB3  PRO  12           HB1      PRO  11  33.618   3.825   5.519
   72    HG2  PRO  12           HG2      PRO  11  31.358   5.197   5.955
   73    HG3  PRO  12           HG1      PRO  11  31.859   4.722   4.321
   74    HD2  PRO  12           HD2      PRO  11  29.791   3.492   6.104
   75    HD3  PRO  12           HD1      PRO  11  29.742   3.785   4.353
   76    H    ALA  13           HN       ALA  12  30.648   1.215   7.090
   77    HA   ALA  13           HA       ALA  12  32.440   0.157   9.017
   78    HB1  ALA  13           HB1      ALA  12  30.097   0.999   9.435
   79    HB2  ALA  13           HB2      ALA  12  30.535  -0.509  10.236
   80    HB3  ALA  13           HB3      ALA  12  29.524  -0.540   8.793
   81    H    SER  14           HN       SER  13  30.633  -1.319   6.351
   82    HA   SER  14           HA       SER  13  31.186  -4.008   7.129
   83    HB2  SER  14           HB2      SER  13  30.412  -4.591   4.838
   84    HB3  SER  14           HB1      SER  13  29.286  -3.545   5.698
   85    HG   SER  14           HG       SER  13  30.214  -3.115   3.346
   86    H    DAL  15           HN       DAL  14  32.994  -1.597   5.414
   87    HA   DAL  15           HA       DAL  14  35.229  -3.443   5.173
   88    HB1  DAL  15           HB1      DAL  14  35.076  -0.475   4.649
   89    HB2  DAL  15           HB2      DAL  14  36.547  -1.448   4.641
   90    HB3  DAL  15           HB3      DAL  14  35.634  -1.242   6.135
   91    H    NVA  16           HN       NVA  15  33.016  -1.644   3.121
   92    HA   NVA  16           HA       NVA  15  34.264  -2.865   0.747
   93    HB2  NVA  16           HB1      NVA  15  31.320  -2.425   1.294
   94    HB3  NVA  16           HB2      NVA  15  32.150  -3.974   1.308
   95    HG2  NVA  16           HG1      NVA  15  32.609  -3.775  -1.073
   96    HG3  NVA  16           HG2      NVA  15  31.824  -2.192  -1.102
   97    HD1  NVA  16           HD1      NVA  15  29.838  -3.615  -0.043
   98    HD2  NVA  16           HD2      NVA  15  30.641  -4.898  -0.950
   99    HD3  NVA  16           HD3      NVA  15  30.069  -3.453  -1.783
  100    HA   PRO  17           HA       PRO  16  34.495   1.334  -0.681
  101    HB2  PRO  17           HB2      PRO  16  35.145   0.880  -3.258
  102    HB3  PRO  17           HB1      PRO  16  36.283   0.601  -1.936
  103    HG2  PRO  17           HG2      PRO  16  34.599  -1.367  -3.432
  104    HG3  PRO  17           HG1      PRO  16  36.289  -1.504  -2.915
  105    HD2  PRO  17           HD2      PRO  16  34.206  -2.652  -1.575
  106    HD3  PRO  17           HD1      PRO  16  35.715  -2.147  -0.789
  107    HA   PRO  18           HA       PRO  17  30.318   2.061  -2.141
  108    HB2  PRO  18           HB2      PRO  17  30.769   4.700  -2.857
  109    HB3  PRO  18           HB1      PRO  17  30.338   4.153  -1.234
  110    HG2  PRO  18           HG2      PRO  17  33.026   4.810  -2.363
  111    HG3  PRO  18           HG1      PRO  17  32.359   5.179  -0.761
  112    HD2  PRO  18           HD2      PRO  17  34.095   3.176  -1.103
  113    HD3  PRO  18           HD1      PRO  17  32.734   3.024   0.029
  114    HA   PRO  19           HA       PRO  18  30.939   1.473  -6.519
  115    HB2  PRO  19           HB2      PRO  18  28.354   1.490  -7.302
  116    HB3  PRO  19           HB1      PRO  18  29.068   0.136  -6.419
  117    HG2  PRO  19           HG2      PRO  18  27.351   2.364  -5.407
  118    HG3  PRO  19           HG1      PRO  18  27.300   0.638  -5.003
  119    HD2  PRO  19           HD2      PRO  18  28.480   2.525  -3.422
  120    HD3  PRO  19           HD1      PRO  18  28.986   0.826  -3.459
  121    H    SER  20           HN       SER  19  31.270   2.771  -8.240
  122    HA   SER  20           HA       SER  19  29.850   5.338  -8.392
  123    HB2  SER  20           HB2      SER  19  32.840   4.925  -8.441
  124    HB3  SER  20           HB1      SER  19  32.079   6.367  -9.112
  125    HG   SER  20           HG       SER  19  32.286   5.531  -6.451
  126    HN1  NH2  21           H2       SER  19  28.855   5.396 -10.286
  127    HN2  NH2  21           H1       SER  19  29.451   4.756 -11.776
  Start of MODEL    6
    1    H1   ACE   1           HA2      ALA   1  19.556   1.069  -6.440
    2    H2   ACE   1           HA3      ALA   1  20.454   1.953  -7.682
    3    H3   ACE   1           HA1      ALA   1  20.240   2.659  -6.073
    4    H    ALA   2           HN       ALA   1  22.702   2.050  -7.581
    5    HA   ALA   2           HA       ALA   1  23.952  -0.214  -6.368
    6    HB1  ALA   2           HB2      ALA   1  25.371   2.120  -7.632
    7    HB2  ALA   2           HB3      ALA   1  24.598   0.842  -8.571
    8    HB3  ALA   2           HB1      ALA   1  25.930   0.454  -7.482
    9    H    TYR   3           HN       TYR   2  24.326   3.308  -5.885
   10    HA   TYR   3           HA       TYR   2  26.101   3.088  -3.693
   11    HB2  TYR   3           HB2      TYR   2  25.745   5.139  -5.118
   12    HB3  TYR   3           HB1      TYR   2  24.230   5.395  -4.259
   13    HD1  TYR   3           HD1      TYR   2  27.869   5.582  -4.063
   14    HD2  TYR   3           HD2      TYR   2  24.236   6.050  -1.895
   15    HE1  TYR   3           HE1      TYR   2  29.079   6.808  -2.309
   16    HE2  TYR   3           HE2      TYR   2  25.441   7.278  -0.137
   17    HH   TYR   3           HH       TYR   2  27.977   8.744  -0.320
   18    H    ALA   4           HN       ALA   3  22.576   3.379  -3.901
   19    HA   ALA   4           HA       ALA   3  22.046   3.712  -1.162
   20    HB1  ALA   4           HB1      ALA   3  20.357   2.477  -3.333
   21    HB2  ALA   4           HB2      ALA   3  20.341   4.155  -2.793
   22    HB3  ALA   4           HB3      ALA   3  19.772   2.878  -1.717
   23    H    GLN   5           HN       GLN   4  22.444   0.794  -3.135
   24    HA   GLN   5           HA       GLN   4  21.743  -1.069  -1.117
   25    HB2  GLN   5           HB2      GLN   4  22.928  -1.161  -3.802
   26    HB3  GLN   5           HB1      GLN   4  23.507  -2.429  -2.732
   27    HG2  GLN   5           HG2      GLN   4  21.142  -3.030  -2.263
   28    HG3  GLN   5           HG1      GLN   4  20.652  -1.854  -3.481
   29   HE21  GLN   5          HE21      GLN   4  21.742  -5.020  -2.888
   30   HE22  GLN   5          HE22      GLN   4  21.879  -5.535  -4.532
   31    H    TRP   6           HN       TRP   5  24.774   0.458  -2.069
   32    HA   TRP   6           HA       TRP   5  26.581  -1.050  -0.580
   33    HB2  TRP   6           HB2      TRP   5  27.409   0.523  -2.182
   34    HB3  TRP   6           HB1      TRP   5  26.599   1.863  -1.382
   35    HD1  TRP   6           HD1      TRP   5  29.468  -0.645  -0.629
   36    HE1  TRP   6           HE1      TRP   5  31.210   0.569   0.823
   37    HE3  TRP   6           HE3      TRP   5  27.061   3.826  -0.028
   38    HZ2  TRP   6           HZ2      TRP   5  31.526   3.080   2.058
   39    HZ3  TRP   6           HZ3      TRP   5  28.157   5.584   1.304
   40    HH2  TRP   6           HH2      TRP   5  30.343   5.213   2.325
   41    H    LEU   7           HN       LEU   6  24.606   1.740   0.375
   42    HA   LEU   7           HA       LEU   6  25.666   2.011   2.988
   43    HB2  LEU   7           HB2      LEU   6  23.044   2.862   1.770
   44    HB3  LEU   7           HB1      LEU   6  23.483   3.230   3.426
   45    HG   LEU   7           HG       LEU   6  25.045   4.121   1.003
   46   HD11  LEU   7          HD11      LEU   6  22.776   5.309   2.477
   47   HD12  LEU   7          HD12      LEU   6  23.255   5.486   0.789
   48   HD13  LEU   7          HD13      LEU   6  24.101   6.389   2.045
   49   HD21  LEU   7          HD21      LEU   6  26.184   5.594   2.608
   50   HD22  LEU   7          HD22      LEU   6  26.432   3.890   2.986
   51   HD23  LEU   7          HD23      LEU   6  25.281   4.843   3.924
   52    H    ALA   8           HN       ALA   7  22.985   0.142   1.649
   53    HA   ALA   8           HA       ALA   7  21.785  -0.683   4.038
   54    HB1  ALA   8           HB1      ALA   7  20.404  -1.305   2.384
   55    HB2  ALA   8           HB2      ALA   7  21.342  -2.798   2.384
   56    HB3  ALA   8           HB3      ALA   7  21.719  -1.520   1.231
   57    H    ASP   9           HN       ASP   8  24.583  -1.965   2.306
   58    HA   ASP   9           HA       ASP   8  24.795  -4.348   3.868
   59    HB2  ASP   9           HB2      ASP   8  27.063  -3.064   2.346
   60    HB3  ASP   9           HB1      ASP   8  26.835  -4.765   2.728
   61    H    DAL  10           HN       DAL   9  25.567  -1.086   4.511
   62    HA   DAL  10           HA       DAL   9  27.402  -1.877   6.675
   63    HB1  DAL  10           HB1      DAL   9  25.033  -0.034   6.799
   64    HB2  DAL  10           HB2      DAL   9  26.307  -0.031   8.018
   65    HB3  DAL  10           HB3      DAL   9  25.345  -1.485   7.751
   66    H    GLY  11           HN       GLY  10  27.549  -0.432   3.865
   67    HA2  GLY  11           HA2      GLY  10  28.742   1.287   2.925
   68    HA3  GLY  11           HA1      GLY  10  28.476   2.195   4.404
   69    HA   PRO  12           HA       PRO  11  32.980   1.775   4.522
   70    HB2  PRO  12           HB2      PRO  11  32.657   3.415   6.960
   71    HB3  PRO  12           HB1      PRO  11  33.623   3.724   5.514
   72    HG2  PRO  12           HG2      PRO  11  31.383   5.102   6.019
   73    HG3  PRO  12           HG1      PRO  11  31.851   4.661   4.367
   74    HD2  PRO  12           HD2      PRO  11  29.803   3.411   6.157
   75    HD3  PRO  12           HD1      PRO  11  29.728   3.738   4.413
   76    H    ALA  13           HN       ALA  12  30.680   1.109   7.093
   77    HA   ALA  13           HA       ALA  12  32.515  -0.014   8.943
   78    HB1  ALA  13           HB1      ALA  12  29.533  -0.154   8.658
   79    HB2  ALA  13           HB2      ALA  12  30.496   0.692   9.870
   80    HB3  ALA  13           HB3      ALA  12  30.387  -1.068   9.901
   81    H    SER  14           HN       SER  13  30.546  -1.428   6.348
   82    HA   SER  14           HA       SER  13  31.067  -4.131   7.011
   83    HB2  SER  14           HB2      SER  13  30.260  -4.641   4.737
   84    HB3  SER  14           HB1      SER  13  29.197  -3.505   5.564
   85    HG   SER  14           HG       SER  13  30.902  -3.102   3.390
   86    H    DAL  15           HN       DAL  14  32.921  -1.737   5.291
   87    HA   DAL  15           HA       DAL  14  35.129  -3.621   5.068
   88    HB1  DAL  15           HB1      DAL  14  35.570  -1.426   6.035
   89    HB2  DAL  15           HB2      DAL  14  35.036  -0.650   4.544
   90    HB3  DAL  15           HB3      DAL  14  36.486  -1.651   4.546
   91    H    NVA  16           HN       NVA  15  33.027  -1.682   3.004
   92    HA   NVA  16           HA       NVA  15  34.238  -2.945   0.634
   93    HB2  NVA  16           HB1      NVA  15  31.293  -2.473   1.155
   94    HB3  NVA  16           HB2      NVA  15  32.103  -4.031   1.182
   95    HG2  NVA  16           HG1      NVA  15  32.241  -2.384  -1.299
   96    HG3  NVA  16           HG2      NVA  15  30.756  -3.264  -0.921
   97    HD1  NVA  16           HD1      NVA  15  32.764  -4.331  -2.322
   98    HD2  NVA  16           HD2      NVA  15  31.702  -5.286  -1.287
   99    HD3  NVA  16           HD3      NVA  15  33.284  -4.776  -0.697
  100    HA   PRO  17           HA       PRO  16  34.591   1.255  -0.756
  101    HB2  PRO  17           HB2      PRO  16  35.171   0.785  -3.360
  102    HB3  PRO  17           HB1      PRO  16  36.334   0.513  -2.058
  103    HG2  PRO  17           HG2      PRO  16  34.601  -1.462  -3.492
  104    HG3  PRO  17           HG1      PRO  16  36.304  -1.603  -3.017
  105    HD2  PRO  17           HD2      PRO  16  34.281  -2.740  -1.608
  106    HD3  PRO  17           HD1      PRO  16  35.784  -2.178  -0.853
  107    HA   PRO  18           HA       PRO  17  30.383   2.050  -2.117
  108    HB2  PRO  18           HB2      PRO  17  30.835   4.725  -2.673
  109    HB3  PRO  18           HB1      PRO  17  30.414   4.083  -1.083
  110    HG2  PRO  18           HG2      PRO  17  33.098   4.796  -2.191
  111    HG3  PRO  18           HG1      PRO  17  32.442   5.081  -0.567
  112    HD2  PRO  18           HD2      PRO  17  34.167   3.094  -1.025
  113    HD3  PRO  18           HD1      PRO  17  32.807   2.882   0.100
  114    HA   PRO  19           HA       PRO  18  30.993   1.672  -6.525
  115    HB2  PRO  19           HB2      PRO  18  28.396   1.814  -7.287
  116    HB3  PRO  19           HB1      PRO  18  29.095   0.377  -6.533
  117    HG2  PRO  19           HG2      PRO  18  27.444   2.549  -5.304
  118    HG3  PRO  19           HG1      PRO  18  27.349   0.796  -5.058
  119    HD2  PRO  19           HD2      PRO  18  28.580   2.465  -3.309
  120    HD3  PRO  19           HD1      PRO  18  29.096   0.785  -3.562
  121    H    SER  20           HN       SER  19  31.301   3.043  -8.203
  122    HA   SER  20           HA       SER  19  30.247   5.783  -7.925
  123    HB2  SER  20           HB2      SER  19  32.824   4.850  -9.218
  124    HB3  SER  20           HB1      SER  19  32.245   6.516  -9.205
  125    HG   SER  20           HG       SER  19  33.531   5.117  -7.265
  126    HN1  NH2  21           H2       SER  19  28.402   4.478  -9.051
  127    HN2  NH2  21           H1       SER  19  28.402   4.555 -10.778
  Start of MODEL    7
    1    H1   ACE   1           HA2      ALA   1  19.707   1.579  -7.049
    2    H2   ACE   1           HA3      ALA   1  20.622   3.083  -7.223
    3    H3   ACE   1           HA1      ALA   1  19.850   2.691  -5.680
    4    H    ALA   2           HN       ALA   1  22.656   2.407  -7.589
    5    HA   ALA   2           HA       ALA   1  23.826   0.111  -6.408
    6    HB1  ALA   2           HB2      ALA   1  24.587   1.065  -8.542
    7    HB2  ALA   2           HB3      ALA   1  25.908   0.877  -7.389
    8    HB3  ALA   2           HB1      ALA   1  25.212   2.471  -7.678
    9    H    TYR   3           HN       TYR   2  24.263   3.595  -5.749
   10    HA   TYR   3           HA       TYR   2  26.054   3.263  -3.589
   11    HB2  TYR   3           HB2      TYR   2  25.665   5.391  -4.888
   12    HB3  TYR   3           HB1      TYR   2  24.158   5.581  -4.000
   13    HD1  TYR   3           HD1      TYR   2  27.791   5.810  -3.839
   14    HD2  TYR   3           HD2      TYR   2  24.185   6.082  -1.595
   15    HE1  TYR   3           HE1      TYR   2  29.011   6.940  -2.028
   16    HE2  TYR   3           HE2      TYR   2  25.398   7.215   0.221
   17    HH   TYR   3           HH       TYR   2  28.143   8.685  -0.033
   18    H    ALA   4           HN       ALA   3  22.524   3.529  -3.742
   19    HA   ALA   4           HA       ALA   3  22.022   3.711  -0.986
   20    HB1  ALA   4           HB1      ALA   3  20.320   2.557  -3.192
   21    HB2  ALA   4           HB2      ALA   3  20.294   4.211  -2.582
   22    HB3  ALA   4           HB3      ALA   3  19.752   2.884  -1.554
   23    H    GLN   5           HN       GLN   4  22.388   0.895  -3.118
   24    HA   GLN   5           HA       GLN   4  21.756  -1.074  -1.193
   25    HB2  GLN   5           HB2      GLN   4  22.364  -1.074  -3.892
   26    HB3  GLN   5           HB1      GLN   4  23.742  -1.900  -3.177
   27    HG2  GLN   5           HG2      GLN   4  21.062  -2.748  -2.266
   28    HG3  GLN   5           HG1      GLN   4  21.508  -3.151  -3.922
   29   HE21  GLN   5          HE21      GLN   4  22.483  -5.031  -4.175
   30   HE22  GLN   5          HE22      GLN   4  23.402  -5.871  -2.977
   31    H    TRP   6           HN       TRP   5  24.766   0.535  -2.088
   32    HA   TRP   6           HA       TRP   5  26.602  -1.019  -0.687
   33    HB2  TRP   6           HB2      TRP   5  27.406   0.655  -2.194
   34    HB3  TRP   6           HB1      TRP   5  26.563   1.934  -1.331
   35    HD1  TRP   6           HD1      TRP   5  29.459  -0.567  -0.645
   36    HE1  TRP   6           HE1      TRP   5  31.178   0.617   0.856
   37    HE3  TRP   6           HE3      TRP   5  27.009   3.864   0.066
   38    HZ2  TRP   6           HZ2      TRP   5  31.463   3.095   2.166
   39    HZ3  TRP   6           HZ3      TRP   5  28.077   5.590   1.457
   40    HH2  TRP   6           HH2      TRP   5  30.259   5.211   2.485
   41    H    LEU   7           HN       LEU   6  24.629   1.720   0.424
   42    HA   LEU   7           HA       LEU   6  25.671   1.854   3.046
   43    HB2  LEU   7           HB2      LEU   6  23.028   2.711   1.881
   44    HB3  LEU   7           HB1      LEU   6  23.468   3.006   3.552
   45    HG   LEU   7           HG       LEU   6  24.989   4.050   1.162
   46   HD11  LEU   7          HD11      LEU   6  23.139   5.368   1.067
   47   HD12  LEU   7          HD12      LEU   6  24.040   6.248   2.303
   48   HD13  LEU   7          HD13      LEU   6  22.750   5.141   2.772
   49   HD21  LEU   7          HD21      LEU   6  26.434   3.752   3.070
   50   HD22  LEU   7          HD22      LEU   6  25.272   4.562   4.120
   51   HD23  LEU   7          HD23      LEU   6  26.100   5.471   2.857
   52    H    ALA   8           HN       ALA   7  23.068  -0.036   1.603
   53    HA   ALA   8           HA       ALA   7  21.862  -0.992   3.944
   54    HB1  ALA   8           HB1      ALA   7  20.677  -2.432   2.599
   55    HB2  ALA   8           HB2      ALA   7  22.042  -2.724   1.521
   56    HB3  ALA   8           HB3      ALA   7  21.162  -1.198   1.436
   57    H    ASP   9           HN       ASP   8  24.696  -2.137   2.170
   58    HA   ASP   9           HA       ASP   8  24.983  -4.564   3.644
   59    HB2  ASP   9           HB2      ASP   8  27.173  -3.117   2.146
   60    HB3  ASP   9           HB1      ASP   8  27.080  -4.833   2.521
   61    H    DAL  10           HN       DAL   9  25.635  -1.310   4.430
   62    HA   DAL  10           HA       DAL   9  27.490  -2.122   6.571
   63    HB1  DAL  10           HB1      DAL   9  24.918  -0.670   6.722
   64    HB2  DAL  10           HB2      DAL   9  26.220  -0.101   7.766
   65    HB3  DAL  10           HB3      DAL   9  25.671  -1.773   7.873
   66    H    GLY  11           HN       GLY  10  27.590  -0.556   3.814
   67    HA2  GLY  11           HA2      GLY  10  28.744   1.226   2.946
   68    HA3  GLY  11           HA1      GLY  10  28.428   2.072   4.452
   69    HA   PRO  12           HA       PRO  11  32.944   1.804   4.596
   70    HB2  PRO  12           HB2      PRO  11  32.554   3.391   7.058
   71    HB3  PRO  12           HB1      PRO  11  33.513   3.759   5.622
   72    HG2  PRO  12           HG2      PRO  11  31.224   5.048   6.145
   73    HG3  PRO  12           HG1      PRO  11  31.715   4.660   4.486
   74    HD2  PRO  12           HD2      PRO  11  29.703   3.300   6.237
   75    HD3  PRO  12           HD1      PRO  11  29.626   3.661   4.500
   76    H    ALA  13           HN       ALA  12  30.643   1.008   7.130
   77    HA   ALA  13           HA       ALA  12  32.500  -0.089   8.970
   78    HB1  ALA  13           HB1      ALA  12  30.716  -0.540  10.292
   79    HB2  ALA  13           HB2      ALA  12  29.729  -1.126   8.954
   80    HB3  ALA  13           HB3      ALA  12  29.940   0.607   9.200
   81    H    SER  14           HN       SER  13  30.635  -1.511   6.310
   82    HA   SER  14           HA       SER  13  31.348  -4.200   6.954
   83    HB2  SER  14           HB2      SER  13  30.469  -4.727   4.675
   84    HB3  SER  14           HB1      SER  13  29.343  -3.813   5.672
   85    HG   SER  14           HG       SER  13  29.442  -2.220   4.302
   86    H    DAL  15           HN       DAL  14  32.935  -1.644   5.223
   87    HA   DAL  15           HA       DAL  14  35.141  -3.486   4.613
   88    HB1  DAL  15           HB1      DAL  14  35.212  -0.476   4.731
   89    HB2  DAL  15           HB2      DAL  14  36.589  -1.572   4.632
   90    HB3  DAL  15           HB3      DAL  14  35.590  -1.539   6.085
   91    H    NVA  16           HN       NVA  15  32.727  -3.155   2.902
   92    HA   NVA  16           HA       NVA  15  33.964  -3.176   0.390
   93    HB2  NVA  16           HB1      NVA  15  31.055  -2.790   1.120
   94    HB3  NVA  16           HB2      NVA  15  31.856  -4.319   0.784
   95    HG2  NVA  16           HG1      NVA  15  32.221  -3.627  -1.532
   96    HG3  NVA  16           HG2      NVA  15  31.414  -2.091  -1.196
   97    HD1  NVA  16           HD1      NVA  15  29.334  -3.123  -0.905
   98    HD2  NVA  16           HD2      NVA  15  30.055  -4.723  -0.727
   99    HD3  NVA  16           HD3      NVA  15  30.038  -3.932  -2.304
  100    HA   PRO  17           HA       PRO  16  34.240   1.197  -0.387
  101    HB2  PRO  17           HB2      PRO  16  35.034   1.111  -2.953
  102    HB3  PRO  17           HB1      PRO  16  36.099   0.624  -1.630
  103    HG2  PRO  17           HG2      PRO  16  34.486  -1.079  -3.489
  104    HG3  PRO  17           HG1      PRO  16  36.146  -1.311  -2.915
  105    HD2  PRO  17           HD2      PRO  16  33.978  -2.611  -1.863
  106    HD3  PRO  17           HD1      PRO  16  35.463  -2.273  -0.953
  107    HA   PRO  18           HA       PRO  17  30.229   2.221  -2.046
  108    HB2  PRO  18           HB2      PRO  17  30.742   4.872  -2.573
  109    HB3  PRO  18           HB1      PRO  17  30.321   4.239  -0.978
  110    HG2  PRO  18           HG2      PRO  17  33.012   4.892  -2.109
  111    HG3  PRO  18           HG1      PRO  17  32.371   5.210  -0.486
  112    HD2  PRO  18           HD2      PRO  17  34.049   3.172  -0.953
  113    HD3  PRO  18           HD1      PRO  17  32.718   3.026   0.215
  114    HA   PRO  19           HA       PRO  18  30.969   1.822  -6.428
  115    HB2  PRO  19           HB2      PRO  18  28.406   2.073  -7.277
  116    HB3  PRO  19           HB1      PRO  18  29.017   0.610  -6.497
  117    HG2  PRO  19           HG2      PRO  18  27.424   2.856  -5.326
  118    HG3  PRO  19           HG1      PRO  18  27.241   1.108  -5.085
  119    HD2  PRO  19           HD2      PRO  18  28.488   2.721  -3.293
  120    HD3  PRO  19           HD1      PRO  18  28.937   1.021  -3.531
  121    H    SER  20           HN       SER  19  31.347   3.167  -8.124
  122    HA   SER  20           HA       SER  19  30.187   5.869  -8.066
  123    HB2  SER  20           HB2      SER  19  33.111   5.162  -8.355
  124    HB3  SER  20           HB1      SER  19  32.453   6.733  -8.806
  125    HG   SER  20           HG       SER  19  32.816   7.174  -6.778
  126    HN1  NH2  21           H2       SER  19  30.012   6.890 -10.095
  127    HN2  NH2  21           H1       SER  19  30.119   6.004 -11.573
  Start of MODEL    8
    1    H1   ACE   1           HA2      ALA   1  19.373   1.504  -6.406
    2    H2   ACE   1           HA3      ALA   1  20.344   2.288  -7.659
    3    H3   ACE   1           HA1      ALA   1  20.165   3.049  -6.071
    4    H    ALA   2           HN       ALA   1  22.557   2.110  -7.621
    5    HA   ALA   2           HA       ALA   1  23.636  -0.164  -6.303
    6    HB1  ALA   2           HB2      ALA   1  24.851   0.090  -8.174
    7    HB2  ALA   2           HB3      ALA   1  25.836   1.169  -7.185
    8    HB3  ALA   2           HB1      ALA   1  24.582   1.832  -8.234
    9    H    TYR   3           HN       TYR   2  24.180   3.338  -5.878
   10    HA   TYR   3           HA       TYR   2  26.001   3.099  -3.734
   11    HB2  TYR   3           HB2      TYR   2  25.626   5.150  -5.154
   12    HB3  TYR   3           HB1      TYR   2  24.144   5.429  -4.245
   13    HD1  TYR   3           HD1      TYR   2  27.774   5.637  -4.208
   14    HD2  TYR   3           HD2      TYR   2  24.250   6.023  -1.852
   15    HE1  TYR   3           HE1      TYR   2  29.057   6.855  -2.501
   16    HE2  TYR   3           HE2      TYR   2  25.526   7.243  -0.139
   17    HH   TYR   3           HH       TYR   2  28.722   7.214   0.148
   18    H    ALA   4           HN       ALA   3  22.473   3.414  -3.834
   19    HA   ALA   4           HA       ALA   3  22.032   3.767  -1.081
   20    HB1  ALA   4           HB1      ALA   3  20.277   2.559  -3.213
   21    HB2  ALA   4           HB2      ALA   3  20.268   4.222  -2.625
   22    HB3  ALA   4           HB3      ALA   3  19.737   2.912  -1.571
   23    H    GLN   5           HN       GLN   4  22.315   0.834  -3.058
   24    HA   GLN   5           HA       GLN   4  21.672  -1.021  -1.026
   25    HB2  GLN   5           HB2      GLN   4  22.506  -1.115  -3.753
   26    HB3  GLN   5           HB1      GLN   4  23.559  -2.177  -2.830
   27    HG2  GLN   5           HG2      GLN   4  21.786  -3.519  -3.567
   28    HG3  GLN   5           HG1      GLN   4  21.464  -3.203  -1.862
   29   HE21  GLN   5          HE21      GLN   4  19.682  -2.018  -1.282
   30   HE22  GLN   5          HE22      GLN   4  18.462  -1.531  -2.404
   31    H    TRP   6           HN       TRP   5  24.691   0.495  -2.031
   32    HA   TRP   6           HA       TRP   5  26.524  -1.018  -0.583
   33    HB2  TRP   6           HB2      TRP   5  27.311   0.580  -2.189
   34    HB3  TRP   6           HB1      TRP   5  26.533   1.910  -1.341
   35    HD1  TRP   6           HD1      TRP   5  29.395  -0.638  -0.710
   36    HE1  TRP   6           HE1      TRP   5  31.186   0.528   0.718
   37    HE3  TRP   6           HE3      TRP   5  27.054   3.848   0.035
   38    HZ2  TRP   6           HZ2      TRP   5  31.564   3.012   1.991
   39    HZ3  TRP   6           HZ3      TRP   5  28.204   5.566   1.371
   40    HH2  TRP   6           HH2      TRP   5  30.412   5.152   2.328
   41    H    LEU   7           HN       LEU   6  24.587   1.781   0.429
   42    HA   LEU   7           HA       LEU   6  25.689   2.015   3.027
   43    HB2  LEU   7           HB2      LEU   6  23.054   2.899   1.860
   44    HB3  LEU   7           HB1      LEU   6  23.523   3.250   3.512
   45    HG   LEU   7           HG       LEU   6  25.069   4.141   1.079
   46   HD11  LEU   7          HD11      LEU   6  24.169   6.422   1.972
   47   HD12  LEU   7          HD12      LEU   6  22.887   5.424   2.657
   48   HD13  LEU   7          HD13      LEU   6  23.170   5.425   0.916
   49   HD21  LEU   7          HD21      LEU   6  26.461   3.908   3.054
   50   HD22  LEU   7          HD22      LEU   6  25.314   4.857   4.000
   51   HD23  LEU   7          HD23      LEU   6  26.212   5.616   2.685
   52    H    ALA   8           HN       ALA   7  22.969   0.181   1.713
   53    HA   ALA   8           HA       ALA   7  21.818  -0.664   4.127
   54    HB1  ALA   8           HB1      ALA   7  20.600  -0.926   2.093
   55    HB2  ALA   8           HB2      ALA   7  20.877  -2.534   2.761
   56    HB3  ALA   8           HB3      ALA   7  21.852  -1.961   1.409
   57    H    ASP   9           HN       ASP   8  24.551  -1.936   2.291
   58    HA   ASP   9           HA       ASP   8  24.781  -4.360   3.787
   59    HB2  ASP   9           HB2      ASP   8  27.012  -3.051   2.229
   60    HB3  ASP   9           HB1      ASP   8  26.798  -4.759   2.589
   61    H    DAL  10           HN       DAL   9  25.598  -1.120   4.491
   62    HA   DAL  10           HA       DAL   9  27.476  -1.981   6.590
   63    HB1  DAL  10           HB1      DAL   9  25.382  -1.570   7.657
   64    HB2  DAL  10           HB2      DAL   9  25.200  -0.025   6.826
   65    HB3  DAL  10           HB3      DAL   9  26.460  -0.229   8.044
   66    H    GLY  11           HN       GLY  10  27.573  -0.474   3.808
   67    HA2  GLY  11           HA2      GLY  10  28.796   1.222   2.871
   68    HA3  GLY  11           HA1      GLY  10  28.537   2.127   4.354
   69    HA   PRO  12           HA       PRO  11  33.039   1.676   4.465
   70    HB2  PRO  12           HB2      PRO  11  32.734   3.318   6.902
   71    HB3  PRO  12           HB1      PRO  11  33.696   3.621   5.453
   72    HG2  PRO  12           HG2      PRO  11  31.468   5.013   5.968
   73    HG3  PRO  12           HG1      PRO  11  31.928   4.572   4.314
   74    HD2  PRO  12           HD2      PRO  11  29.878   3.333   6.108
   75    HD3  PRO  12           HD1      PRO  11  29.799   3.664   4.366
   76    H    ALA  13           HN       ALA  12  30.731   1.015   7.031
   77    HA   ALA  13           HA       ALA  12  32.561  -0.115   8.881
   78    HB1  ALA  13           HB1      ALA  12  30.655  -0.847  10.108
   79    HB2  ALA  13           HB2      ALA  12  29.614  -0.705   8.692
   80    HB3  ALA  13           HB3      ALA  12  30.284   0.744   9.443
   81    H    SER  14           HN       SER  13  30.657  -1.497   6.233
   82    HA   SER  14           HA       SER  13  31.178  -4.213   6.919
   83    HB2  SER  14           HB2      SER  13  30.344  -4.723   4.643
   84    HB3  SER  14           HB1      SER  13  29.269  -3.640   5.522
   85    HG   SER  14           HG       SER  13  29.665  -2.107   4.123
   86    H    DAL  15           HN       DAL  14  32.984  -1.789   5.205
   87    HA   DAL  15           HA       DAL  14  35.202  -3.649   4.911
   88    HB1  DAL  15           HB1      DAL  14  35.662  -1.474   5.883
   89    HB2  DAL  15           HB2      DAL  14  35.049  -0.673   4.436
   90    HB3  DAL  15           HB3      DAL  14  36.516  -1.647   4.350
   91    H    NVA  16           HN       NVA  15  33.002  -1.771   2.906
   92    HA   NVA  16           HA       NVA  15  34.181  -3.007   0.505
   93    HB2  NVA  16           HB1      NVA  15  31.254  -2.509   1.091
   94    HB3  NVA  16           HB2      NVA  15  32.051  -4.074   1.098
   95    HG2  NVA  16           HG1      NVA  15  32.522  -3.836  -1.300
   96    HG3  NVA  16           HG2      NVA  15  31.678  -2.284  -1.298
   97    HD1  NVA  16           HD1      NVA  15  29.624  -3.249  -1.135
   98    HD2  NVA  16           HD2      NVA  15  30.226  -4.638  -0.231
   99    HD3  NVA  16           HD3      NVA  15  30.474  -4.547  -1.974
  100    HA   PRO  17           HA       PRO  16  34.530   1.187  -0.904
  101    HB2  PRO  17           HB2      PRO  16  35.026   0.715  -3.525
  102    HB3  PRO  17           HB1      PRO  16  36.224   0.424  -2.258
  103    HG2  PRO  17           HG2      PRO  16  34.426  -1.521  -3.649
  104    HG3  PRO  17           HG1      PRO  16  36.138  -1.688  -3.219
  105    HD2  PRO  17           HD2      PRO  16  34.129  -2.798  -1.763
  106    HD3  PRO  17           HD1      PRO  16  35.665  -2.274  -1.048
  107    HA   PRO  18           HA       PRO  17  30.299   2.042  -2.148
  108    HB2  PRO  18           HB2      PRO  17  30.773   4.709  -2.726
  109    HB3  PRO  18           HB1      PRO  17  30.384   4.076  -1.125
  110    HG2  PRO  18           HG2      PRO  17  33.047   4.753  -2.301
  111    HG3  PRO  18           HG1      PRO  17  32.437   5.043  -0.660
  112    HD2  PRO  18           HD2      PRO  17  34.126   3.035  -1.172
  113    HD3  PRO  18           HD1      PRO  17  32.800   2.841  -0.005
  114    HA   PRO  19           HA       PRO  18  30.792   1.704  -6.571
  115    HB2  PRO  19           HB2      PRO  18  28.183   1.706  -7.258
  116    HB3  PRO  19           HB1      PRO  18  28.952   0.322  -6.473
  117    HG2  PRO  19           HG2      PRO  18  27.231   2.458  -5.286
  118    HG3  PRO  19           HG1      PRO  18  27.227   0.715  -4.971
  119    HD2  PRO  19           HD2      PRO  18  28.430   2.551  -3.340
  120    HD3  PRO  19           HD1      PRO  18  28.954   0.861  -3.473
  121    H    SER  20           HN       SER  19  31.671   3.528  -7.410
  122    HA   SER  20           HA       SER  19  29.837   5.636  -8.250
  123    HB2  SER  20           HB2      SER  19  32.319   6.132  -6.593
  124    HB3  SER  20           HB1      SER  19  31.488   7.393  -7.503
  125    HG   SER  20           HG       SER  19  30.635   7.462  -5.483
  126    HN1  NH2  21           H2       SER  19  30.086   5.295 -10.389
  127    HN2  NH2  21           H1       SER  19  31.594   5.343 -11.231
  Start of MODEL    9
    1    H1   ACE   1           HA2      ALA   1  19.359   1.741  -6.297
    2    H2   ACE   1           HA3      ALA   1  20.262   2.727  -7.457
    3    H3   ACE   1           HA1      ALA   1  20.074   3.277  -5.786
    4    H    ALA   2           HN       ALA   1  22.491   2.690  -7.451
    5    HA   ALA   2           HA       ALA   1  23.709   0.328  -6.431
    6    HB1  ALA   2           HB2      ALA   1  25.807   1.307  -7.346
    7    HB2  ALA   2           HB3      ALA   1  24.900   2.765  -7.745
    8    HB3  ALA   2           HB1      ALA   1  24.486   1.232  -8.511
    9    H    TYR   3           HN       TYR   2  24.177   3.786  -5.663
   10    HA   TYR   3           HA       TYR   2  25.991   3.357  -3.541
   11    HB2  TYR   3           HB2      TYR   2  25.632   5.527  -4.764
   12    HB3  TYR   3           HB1      TYR   2  24.130   5.718  -3.866
   13    HD1  TYR   3           HD1      TYR   2  27.791   5.756  -3.652
   14    HD2  TYR   3           HD2      TYR   2  24.151   6.269  -1.507
   15    HE1  TYR   3           HE1      TYR   2  29.033   6.809  -1.811
   16    HE2  TYR   3           HE2      TYR   2  25.385   7.328   0.340
   17    HH   TYR   3           HH       TYR   2  27.694   7.353   1.245
   18    H    ALA   4           HN       ALA   3  22.464   3.669  -3.636
   19    HA   ALA   4           HA       ALA   3  22.006   3.764  -0.864
   20    HB1  ALA   4           HB1      ALA   3  20.293   4.346  -2.492
   21    HB2  ALA   4           HB2      ALA   3  19.715   3.088  -1.399
   22    HB3  ALA   4           HB3      ALA   3  20.221   2.669  -3.037
   23    H    GLN   5           HN       GLN   4  22.295   1.026  -3.106
   24    HA   GLN   5           HA       GLN   4  21.644  -1.005  -1.245
   25    HB2  GLN   5           HB2      GLN   4  21.814  -1.138  -3.823
   26    HB3  GLN   5           HB1      GLN   4  23.532  -1.401  -3.555
   27    HG2  GLN   5           HG2      GLN   4  23.080  -3.556  -3.359
   28    HG3  GLN   5           HG1      GLN   4  22.278  -3.184  -1.834
   29   HE21  GLN   5          HE21      GLN   4  19.984  -2.784  -1.880
   30   HE22  GLN   5          HE22      GLN   4  19.010  -3.508  -3.110
   31    H    TRP   6           HN       TRP   5  24.655   0.601  -2.116
   32    HA   TRP   6           HA       TRP   5  26.493  -1.052  -0.820
   33    HB2  TRP   6           HB2      TRP   5  27.301   0.647  -2.295
   34    HB3  TRP   6           HB1      TRP   5  26.501   1.917  -1.381
   35    HD1  TRP   6           HD1      TRP   5  29.375  -0.643  -0.832
   36    HE1  TRP   6           HE1      TRP   5  31.142   0.476   0.663
   37    HE3  TRP   6           HE3      TRP   5  27.000   3.793   0.060
   38    HZ2  TRP   6           HZ2      TRP   5  31.490   2.910   2.037
   39    HZ3  TRP   6           HZ3      TRP   5  28.121   5.464   1.475
   40    HH2  TRP   6           HH2      TRP   5  30.320   5.030   2.441
   41    H    LEU   7           HN       LEU   6  24.583   1.674   0.417
   42    HA   LEU   7           HA       LEU   6  25.697   1.734   3.011
   43    HB2  LEU   7           HB2      LEU   6  23.039   2.651   1.930
   44    HB3  LEU   7           HB1      LEU   6  23.511   2.889   3.602
   45    HG   LEU   7           HG       LEU   6  24.981   4.002   1.209
   46   HD11  LEU   7          HD11      LEU   6  24.128   6.181   2.341
   47   HD12  LEU   7          HD12      LEU   6  22.899   5.123   3.033
   48   HD13  LEU   7          HD13      LEU   6  23.054   5.268   1.282
   49   HD21  LEU   7          HD21      LEU   6  26.178   5.336   2.916
   50   HD22  LEU   7          HD22      LEU   6  26.491   3.605   3.050
   51   HD23  LEU   7          HD23      LEU   6  25.382   4.390   4.173
   52    H    ALA   8           HN       ALA   7  23.092  -0.151   1.578
   53    HA   ALA   8           HA       ALA   7  21.881  -1.122   3.907
   54    HB1  ALA   8           HB1      ALA   7  20.665  -2.465   2.540
   55    HB2  ALA   8           HB2      ALA   7  22.062  -2.943   1.577
   56    HB3  ALA   8           HB3      ALA   7  21.310  -1.370   1.318
   57    H    ASP   9           HN       ASP   8  24.738  -2.254   2.154
   58    HA   ASP   9           HA       ASP   8  25.034  -4.670   3.643
   59    HB2  ASP   9           HB2      ASP   8  27.157  -3.175   2.086
   60    HB3  ASP   9           HB1      ASP   8  27.207  -4.863   2.577
   61    H    DAL  10           HN       DAL   9  25.649  -1.410   4.426
   62    HA   DAL  10           HA       DAL   9  27.493  -2.199   6.581
   63    HB1  DAL  10           HB1      DAL   9  25.343  -1.905   7.571
   64    HB2  DAL  10           HB2      DAL   9  25.109  -0.367   6.742
   65    HB3  DAL  10           HB3      DAL   9  26.330  -0.510   8.007
   66    H    GLY  11           HN       GLY  10  27.640  -0.676   3.819
   67    HA2  GLY  11           HA2      GLY  10  28.775   1.119   2.944
   68    HA3  GLY  11           HA1      GLY  10  28.466   1.967   4.451
   69    HA   PRO  12           HA       PRO  11  32.986   1.669   4.580
   70    HB2  PRO  12           HB2      PRO  11  32.613   3.290   7.021
   71    HB3  PRO  12           HB1      PRO  11  33.572   3.632   5.579
   72    HG2  PRO  12           HG2      PRO  11  31.295   4.948   6.086
   73    HG3  PRO  12           HG1      PRO  11  31.776   4.525   4.432
   74    HD2  PRO  12           HD2      PRO  11  29.764   3.208   6.218
   75    HD3  PRO  12           HD1      PRO  11  29.676   3.549   4.476
   76    H    ALA  13           HN       ALA  12  30.686   0.922   7.131
   77    HA   ALA  13           HA       ALA  12  32.535  -0.153   8.990
   78    HB1  ALA  13           HB1      ALA  12  30.737  -0.640  10.299
   79    HB2  ALA  13           HB2      ALA  12  29.739  -1.155   8.939
   80    HB3  ALA  13           HB3      ALA  12  30.004   0.563   9.238
   81    H    SER  14           HN       SER  13  30.685  -1.599   6.334
   82    HA   SER  14           HA       SER  13  31.373  -4.291   6.991
   83    HB2  SER  14           HB2      SER  13  30.502  -4.831   4.732
   84    HB3  SER  14           HB1      SER  13  29.387  -3.837   5.666
   85    HG   SER  14           HG       SER  13  29.675  -2.223   4.313
   86    H    DAL  15           HN       DAL  14  32.999  -1.750   5.285
   87    HA   DAL  15           HA       DAL  14  35.306  -3.465   4.902
   88    HB1  DAL  15           HB1      DAL  14  35.643  -1.246   5.838
   89    HB2  DAL  15           HB2      DAL  14  34.949  -0.512   4.391
   90    HB3  DAL  15           HB3      DAL  14  36.473  -1.394   4.289
   91    H    NVA  16           HN       NVA  15  32.947  -1.726   2.942
   92    HA   NVA  16           HA       NVA  15  34.074  -3.004   0.538
   93    HB2  NVA  16           HB1      NVA  15  31.196  -2.513   1.314
   94    HB3  NVA  16           HB2      NVA  15  31.986  -4.059   1.052
   95    HG2  NVA  16           HG1      NVA  15  32.305  -3.340  -1.356
   96    HG3  NVA  16           HG2      NVA  15  31.192  -2.015  -1.000
   97    HD1  NVA  16           HD1      NVA  15  29.855  -3.711  -1.912
   98    HD2  NVA  16           HD2      NVA  15  29.587  -3.809  -0.171
   99    HD3  NVA  16           HD3      NVA  15  30.655  -4.966  -0.967
  100    HA   PRO  17           HA       PRO  16  34.539   1.144  -0.969
  101    HB2  PRO  17           HB2      PRO  16  34.949   0.592  -3.592
  102    HB3  PRO  17           HB1      PRO  16  36.170   0.303  -2.349
  103    HG2  PRO  17           HG2      PRO  16  34.278  -1.628  -3.632
  104    HG3  PRO  17           HG1      PRO  16  35.999  -1.832  -3.253
  105    HD2  PRO  17           HD2      PRO  16  34.024  -2.854  -1.702
  106    HD3  PRO  17           HD1      PRO  16  35.584  -2.323  -1.043
  107    HA   PRO  18           HA       PRO  17  30.284   2.048  -2.131
  108    HB2  PRO  18           HB2      PRO  17  30.744   4.736  -2.563
  109    HB3  PRO  18           HB1      PRO  17  30.389   4.020  -0.989
  110    HG2  PRO  18           HG2      PRO  17  33.027   4.769  -2.180
  111    HG3  PRO  18           HG1      PRO  17  32.446   4.976  -0.517
  112    HD2  PRO  18           HD2      PRO  17  34.132   3.000  -1.167
  113    HD3  PRO  18           HD1      PRO  17  32.842   2.755   0.031
  114    HA   PRO  19           HA       PRO  18  30.759   1.969  -6.567
  115    HB2  PRO  19           HB2      PRO  18  28.153   2.054  -7.253
  116    HB3  PRO  19           HB1      PRO  18  28.891   0.617  -6.535
  117    HG2  PRO  19           HG2      PRO  18  27.208   2.726  -5.249
  118    HG3  PRO  19           HG1      PRO  18  27.173   0.970  -5.019
  119    HD2  PRO  19           HD2      PRO  18  28.408   2.706  -3.301
  120    HD3  PRO  19           HD1      PRO  18  28.891   1.012  -3.506
  121    H    SER  20           HN       SER  19  31.432   3.646  -7.742
  122    HA   SER  20           HA       SER  19  29.693   5.911  -8.219
  123    HB2  SER  20           HB2      SER  19  31.971   6.075  -6.382
  124    HB3  SER  20           HB1      SER  19  32.029   7.275  -7.674
  125    HG   SER  20           HG       SER  19  30.163   8.140  -6.978
  126    HN1  NH2  21           H2       SER  19  30.295   7.141 -10.041
  127    HN2  NH2  21           H1       SER  19  31.472   6.574 -11.170
  Start of MODEL   10
    1    H1   ACE   1           HA2      ALA   1  20.196   2.098  -6.988
    2    H2   ACE   1           HA3      ALA   1  19.608   0.592  -7.686
    3    H3   ACE   1           HA1      ALA   1  20.260   1.878  -8.735
    4    H    ALA   2           HN       ALA   1  22.164   2.101  -6.181
    5    HA   ALA   2           HA       ALA   1  23.848  -0.191  -6.388
    6    HB1  ALA   2           HB2      ALA   1  24.790   0.441  -8.352
    7    HB2  ALA   2           HB3      ALA   1  25.786   1.422  -7.276
    8    HB3  ALA   2           HB1      ALA   1  24.413   2.147  -8.113
    9    H    TYR   3           HN       TYR   2  24.312   3.325  -5.893
   10    HA   TYR   3           HA       TYR   2  26.061   3.061  -3.712
   11    HB2  TYR   3           HB2      TYR   2  25.725   5.116  -5.136
   12    HB3  TYR   3           HB1      TYR   2  24.239   5.413  -4.241
   13    HD1  TYR   3           HD1      TYR   2  27.873   5.565  -4.167
   14    HD2  TYR   3           HD2      TYR   2  24.329   6.018  -1.851
   15    HE1  TYR   3           HE1      TYR   2  29.156   6.770  -2.449
   16    HE2  TYR   3           HE2      TYR   2  25.606   7.223  -0.127
   17    HH   TYR   3           HH       TYR   2  28.857   7.171   0.134
   18    H    ALA   4           HN       ALA   3  22.537   3.433  -3.846
   19    HA   ALA   4           HA       ALA   3  22.074   3.787  -1.099
   20    HB1  ALA   4           HB1      ALA   3  20.302   2.555  -3.204
   21    HB2  ALA   4           HB2      ALA   3  20.352   4.250  -2.720
   22    HB3  ALA   4           HB3      ALA   3  19.773   3.027  -1.589
   23    H    GLN   5           HN       GLN   4  22.327   0.844  -3.066
   24    HA   GLN   5           HA       GLN   4  21.642  -0.993  -1.029
   25    HB2  GLN   5           HB2      GLN   4  22.688  -1.102  -3.745
   26    HB3  GLN   5           HB1      GLN   4  23.412  -2.330  -2.716
   27    HG2  GLN   5           HG2      GLN   4  20.868  -2.697  -2.036
   28    HG3  GLN   5           HG1      GLN   4  20.621  -2.035  -3.652
   29   HE21  GLN   5          HE21      GLN   4  21.524  -4.763  -1.815
   30   HE22  GLN   5          HE22      GLN   4  21.887  -5.819  -3.132
   31    H    TRP   6           HN       TRP   5  24.695   0.455  -2.039
   32    HA   TRP   6           HA       TRP   5  26.498  -1.080  -0.576
   33    HB2  TRP   6           HB2      TRP   5  27.331   0.487  -2.182
   34    HB3  TRP   6           HB1      TRP   5  26.553   1.837  -1.369
   35    HD1  TRP   6           HD1      TRP   5  29.394  -0.716  -0.654
   36    HE1  TRP   6           HE1      TRP   5  31.174   0.468   0.772
   37    HE3  TRP   6           HE3      TRP   5  27.066   3.792  -0.021
   38    HZ2  TRP   6           HZ2      TRP   5  31.549   2.977   2.003
   39    HZ3  TRP   6           HZ3      TRP   5  28.208   5.532   1.295
   40    HH2  TRP   6           HH2      TRP   5  30.402   5.128   2.285
   41    H    LEU   7           HN       LEU   6  24.604   1.755   0.418
   42    HA   LEU   7           HA       LEU   6  25.703   1.990   3.017
   43    HB2  LEU   7           HB2      LEU   6  23.062   2.883   1.865
   44    HB3  LEU   7           HB1      LEU   6  23.573   3.265   3.498
   45    HG   LEU   7           HG       LEU   6  25.095   4.078   1.022
   46   HD11  LEU   7          HD11      LEU   6  23.300   5.437   0.764
   47   HD12  LEU   7          HD12      LEU   6  24.164   6.388   1.973
   48   HD13  LEU   7          HD13      LEU   6  22.836   5.335   2.462
   49   HD21  LEU   7          HD21      LEU   6  25.338   4.906   3.914
   50   HD22  LEU   7          HD22      LEU   6  26.242   5.605   2.571
   51   HD23  LEU   7          HD23      LEU   6  26.483   3.914   3.011
   52    H    ALA   8           HN       ALA   7  22.950   0.193   1.714
   53    HA   ALA   8           HA       ALA   7  21.801  -0.637   4.134
   54    HB1  ALA   8           HB1      ALA   7  20.611  -0.855   2.047
   55    HB2  ALA   8           HB2      ALA   7  20.772  -2.444   2.796
   56    HB3  ALA   8           HB3      ALA   7  21.811  -1.997   1.442
   57    H    ASP   9           HN       ASP   8  24.499  -1.950   2.273
   58    HA   ASP   9           HA       ASP   8  24.705  -4.375   3.770
   59    HB2  ASP   9           HB2      ASP   8  26.926  -3.089   2.175
   60    HB3  ASP   9           HB1      ASP   8  26.721  -4.793   2.561
   61    H    DAL  10           HN       DAL   9  25.578  -1.148   4.465
   62    HA   DAL  10           HA       DAL   9  27.499  -2.027   6.516
   63    HB1  DAL  10           HB1      DAL   9  26.433  -0.153   7.932
   64    HB2  DAL  10           HB2      DAL   9  25.588  -1.694   7.788
   65    HB3  DAL  10           HB3      DAL   9  25.067  -0.310   6.828
   66    H    GLY  11           HN       GLY  10  27.607  -0.543   3.776
   67    HA2  GLY  11           HA2      GLY  10  28.778   1.195   2.843
   68    HA3  GLY  11           HA1      GLY  10  28.448   2.108   4.306
   69    HA   PRO  12           HA       PRO  11  32.954   1.860   4.563
   70    HB2  PRO  12           HB2      PRO  11  32.494   3.425   7.027
   71    HB3  PRO  12           HB1      PRO  11  33.490   3.807   5.619
   72    HG2  PRO  12           HG2      PRO  11  31.184   5.085   6.084
   73    HG3  PRO  12           HG1      PRO  11  31.716   4.697   4.437
   74    HD2  PRO  12           HD2      PRO  11  29.669   3.329   6.140
   75    HD3  PRO  12           HD1      PRO  11  29.632   3.691   4.402
   76    H    ALA  13           HN       ALA  12  30.611   1.039   7.049
   77    HA   ALA  13           HA       ALA  12  32.438  -0.067   8.917
   78    HB1  ALA  13           HB1      ALA  12  30.391   0.515   9.837
   79    HB2  ALA  13           HB2      ALA  12  30.304  -1.244   9.755
   80    HB3  ALA  13           HB3      ALA  12  29.474  -0.262   8.547
   81    H    SER  14           HN       SER  13  30.583  -1.474   6.234
   82    HA   SER  14           HA       SER  13  31.195  -4.176   6.823
   83    HB2  SER  14           HB2      SER  13  30.454  -4.649   4.524
   84    HB3  SER  14           HB1      SER  13  29.334  -3.568   5.349
   85    HG   SER  14           HG       SER  13  31.090  -3.049   3.238
   86    H    DAL  15           HN       DAL  14  32.992  -1.654   5.231
   87    HA   DAL  15           HA       DAL  14  35.302  -3.397   5.052
   88    HB1  DAL  15           HB1      DAL  14  36.533  -1.356   4.491
   89    HB2  DAL  15           HB2      DAL  14  35.577  -1.153   5.959
   90    HB3  DAL  15           HB3      DAL  14  35.016  -0.457   4.439
   91    H    NVA  16           HN       NVA  15  33.174  -1.597   2.874
   92    HA   NVA  16           HA       NVA  15  34.505  -2.868   0.577
   93    HB2  NVA  16           HB1      NVA  15  31.526  -2.566   1.005
   94    HB3  NVA  16           HB2      NVA  15  32.429  -4.070   1.086
   95    HG2  NVA  16           HG1      NVA  15  33.069  -3.688  -1.320
   96    HG3  NVA  16           HG2      NVA  15  31.884  -2.375  -1.336
   97    HD1  NVA  16           HD1      NVA  15  31.038  -4.561  -2.198
   98    HD2  NVA  16           HD2      NVA  15  30.103  -3.888  -0.863
   99    HD3  NVA  16           HD3      NVA  15  31.232  -5.212  -0.570
  100    HA   PRO  17           HA       PRO  16  34.701   1.294  -0.937
  101    HB2  PRO  17           HB2      PRO  16  35.203   0.757  -3.560
  102    HB3  PRO  17           HB1      PRO  16  36.422   0.621  -2.289
  103    HG2  PRO  17           HG2      PRO  16  34.783  -1.521  -3.579
  104    HG3  PRO  17           HG1      PRO  16  36.499  -1.537  -3.135
  105    HD2  PRO  17           HD2      PRO  16  34.593  -2.738  -1.635
  106    HD3  PRO  17           HD1      PRO  16  36.056  -2.025  -0.930
  107    HA   PRO  18           HA       PRO  17  30.406   1.912  -2.119
  108    HB2  PRO  18           HB2      PRO  17  30.806   4.595  -2.766
  109    HB3  PRO  18           HB1      PRO  17  30.373   3.977  -1.170
  110    HG2  PRO  18           HG2      PRO  17  33.050   4.738  -2.246
  111    HG3  PRO  18           HG1      PRO  17  32.376   4.990  -0.625
  112    HD2  PRO  18           HD2      PRO  17  34.158   3.057  -1.087
  113    HD3  PRO  18           HD1      PRO  17  32.794   2.794   0.022
  114    HA   PRO  19           HA       PRO  18  30.847   1.612  -6.547
  115    HB2  PRO  19           HB2      PRO  18  28.257   1.312  -7.180
  116    HB3  PRO  19           HB1      PRO  18  29.158   0.048  -6.336
  117    HG2  PRO  19           HG2      PRO  18  27.220   2.044  -5.250
  118    HG3  PRO  19           HG1      PRO  18  27.428   0.336  -4.825
  119    HD2  PRO  19           HD2      PRO  18  28.441   2.463  -3.374
  120    HD3  PRO  19           HD1      PRO  18  29.058   0.803  -3.303
  121    H    SER  20           HN       SER  19  31.475   3.460  -7.522
  122    HA   SER  20           HA       SER  19  29.418   5.362  -8.307
  123    HB2  SER  20           HB2      SER  19  31.851   6.128  -6.687
  124    HB3  SER  20           HB1      SER  19  30.953   7.292  -7.661
  125    HG   SER  20           HG       SER  19  29.282   7.158  -6.317
  126    HN1  NH2  21           H2       SER  19  30.161   3.871 -10.172
  127    HN2  NH2  21           H1       SER  19  31.420   4.498 -11.173
  Start of MODEL   11
    1    H1   ACE   1           HA2      ALA   1  20.103   3.288  -7.358
    2    H2   ACE   1           HA3      ALA   1  20.051   2.620  -5.721
    3    H3   ACE   1           HA1      ALA   1  20.092   1.535  -7.119
    4    H    ALA   2           HN       ALA   1  21.955   0.497  -6.373
    5    HA   ALA   2           HA       ALA   1  24.183   0.060  -6.431
    6    HB1  ALA   2           HB2      ALA   1  23.915   2.200  -8.256
    7    HB2  ALA   2           HB3      ALA   1  25.201   0.998  -8.160
    8    HB3  ALA   2           HB1      ALA   1  25.349   2.519  -7.280
    9    H    TYR   3           HN       TYR   2  24.142   3.563  -5.688
   10    HA   TYR   3           HA       TYR   2  26.003   3.291  -3.560
   11    HB2  TYR   3           HB2      TYR   2  25.595   5.377  -4.933
   12    HB3  TYR   3           HB1      TYR   2  24.118   5.610  -4.003
   13    HD1  TYR   3           HD1      TYR   2  27.760   5.792  -3.961
   14    HD2  TYR   3           HD2      TYR   2  24.227   6.190  -1.622
   15    HE1  TYR   3           HE1      TYR   2  29.049   6.962  -2.225
   16    HE2  TYR   3           HE2      TYR   2  25.509   7.362   0.120
   17    HH   TYR   3           HH       TYR   2  28.739   7.295   0.390
   18    H    ALA   4           HN       ALA   3  22.471   3.614  -3.685
   19    HA   ALA   4           HA       ALA   3  22.017   3.829  -0.918
   20    HB1  ALA   4           HB1      ALA   3  20.288   4.369  -2.521
   21    HB2  ALA   4           HB2      ALA   3  19.718   3.102  -1.434
   22    HB3  ALA   4           HB3      ALA   3  20.235   2.694  -3.070
   23    H    GLN   5           HN       GLN   4  22.287   1.014  -3.056
   24    HA   GLN   5           HA       GLN   4  21.630  -0.952  -1.131
   25    HB2  GLN   5           HB2      GLN   4  21.834  -1.148  -3.716
   26    HB3  GLN   5           HB1      GLN   4  23.538  -1.444  -3.402
   27    HG2  GLN   5           HG2      GLN   4  22.728  -3.577  -3.479
   28    HG3  GLN   5           HG1      GLN   4  22.631  -3.245  -1.751
   29   HE21  GLN   5          HE21      GLN   4  20.594  -2.835  -0.816
   30   HE22  GLN   5          HE22      GLN   4  19.134  -3.323  -1.597
   31    H    TRP   6           HN       TRP   5  24.662   0.592  -2.071
   32    HA   TRP   6           HA       TRP   5  26.482  -1.014  -0.702
   33    HB2  TRP   6           HB2      TRP   5  27.313   0.625  -2.231
   34    HB3  TRP   6           HB1      TRP   5  26.519   1.933  -1.367
   35    HD1  TRP   6           HD1      TRP   5  29.356  -0.638  -0.712
   36    HE1  TRP   6           HE1      TRP   5  31.124   0.500   0.766
   37    HE3  TRP   6           HE3      TRP   5  27.033   3.858   0.023
   38    HZ2  TRP   6           HZ2      TRP   5  31.491   2.971   2.072
   39    HZ3  TRP   6           HZ3      TRP   5  28.166   5.556   1.401
   40    HH2  TRP   6           HH2      TRP   5  30.347   5.118   2.403
   41    H    LEU   7           HN       LEU   6  24.605   1.783   0.425
   42    HA   LEU   7           HA       LEU   6  25.709   1.909   3.023
   43    HB2  LEU   7           HB2      LEU   6  23.058   2.832   1.921
   44    HB3  LEU   7           HB1      LEU   6  23.569   3.146   3.569
   45    HG   LEU   7           HG       LEU   6  25.060   4.086   1.118
   46   HD11  LEU   7          HD11      LEU   6  23.227   5.429   0.988
   47   HD12  LEU   7          HD12      LEU   6  24.163   6.345   2.169
   48   HD13  LEU   7          HD13      LEU   6  22.860   5.286   2.707
   49   HD21  LEU   7          HD21      LEU   6  26.501   3.824   3.048
   50   HD22  LEU   7          HD22      LEU   6  25.368   4.732   4.049
   51   HD23  LEU   7          HD23      LEU   6  26.226   5.538   2.736
   52    H    ALA   8           HN       ALA   7  23.007   0.101   1.651
   53    HA   ALA   8           HA       ALA   7  21.833  -0.805   4.030
   54    HB1  ALA   8           HB1      ALA   7  20.421  -1.336   2.367
   55    HB2  ALA   8           HB2      ALA   7  21.329  -2.846   2.314
   56    HB3  ALA   8           HB3      ALA   7  21.718  -1.545   1.191
   57    H    ASP   9           HN       ASP   8  24.581  -2.041   2.184
   58    HA   ASP   9           HA       ASP   8  24.806  -4.483   3.652
   59    HB2  ASP   9           HB2      ASP   8  27.066  -3.176   2.140
   60    HB3  ASP   9           HB1      ASP   8  26.796  -4.888   2.436
   61    H    DAL  10           HN       DAL   9  25.629  -1.252   4.392
   62    HA   DAL  10           HA       DAL   9  27.515  -2.129   6.476
   63    HB1  DAL  10           HB1      DAL   9  25.008  -0.558   6.726
   64    HB2  DAL  10           HB2      DAL   9  26.362  -0.133   7.771
   65    HB3  DAL  10           HB3      DAL   9  25.701  -1.767   7.806
   66    H    GLY  11           HN       GLY  10  27.644  -0.613   3.736
   67    HA2  GLY  11           HA2      GLY  10  28.810   1.145   2.834
   68    HA3  GLY  11           HA1      GLY  10  28.516   2.020   4.327
   69    HA   PRO  12           HA       PRO  11  33.027   1.695   4.478
   70    HB2  PRO  12           HB2      PRO  11  32.641   3.256   6.958
   71    HB3  PRO  12           HB1      PRO  11  33.617   3.628   5.534
   72    HG2  PRO  12           HG2      PRO  11  31.343   4.943   6.050
   73    HG3  PRO  12           HG1      PRO  11  31.839   4.559   4.391
   74    HD2  PRO  12           HD2      PRO  11  29.796   3.218   6.118
   75    HD3  PRO  12           HD1      PRO  11  29.738   3.590   4.383
   76    H    ALA  13           HN       ALA  12  30.716   0.915   7.005
   77    HA   ALA  13           HA       ALA  12  32.547  -0.227   8.840
   78    HB1  ALA  13           HB1      ALA  12  29.587  -0.268   8.518
   79    HB2  ALA  13           HB2      ALA  12  30.570   0.312   9.862
   80    HB3  ALA  13           HB3      ALA  12  30.345  -1.420   9.618
   81    H    SER  14           HN       SER  13  30.607  -1.621   6.208
   82    HA   SER  14           HA       SER  13  31.301  -4.317   6.802
   83    HB2  SER  14           HB2      SER  13  30.405  -4.802   4.522
   84    HB3  SER  14           HB1      SER  13  29.301  -3.870   5.530
   85    HG   SER  14           HG       SER  13  30.407  -3.218   3.156
   86    H    DAL  15           HN       DAL  14  32.915  -1.769   5.078
   87    HA   DAL  15           HA       DAL  14  35.100  -3.632   4.457
   88    HB1  DAL  15           HB1      DAL  14  36.566  -1.730   4.479
   89    HB2  DAL  15           HB2      DAL  14  35.573  -1.697   5.936
   90    HB3  DAL  15           HB3      DAL  14  35.198  -0.623   4.589
   91    H    NVA  16           HN       NVA  15  32.683  -3.258   2.748
   92    HA   NVA  16           HA       NVA  15  33.927  -3.274   0.233
   93    HB2  NVA  16           HB1      NVA  15  31.016  -2.893   0.965
   94    HB3  NVA  16           HB2      NVA  15  31.816  -4.420   0.617
   95    HG2  NVA  16           HG1      NVA  15  32.232  -3.611  -1.697
   96    HG3  NVA  16           HG2      NVA  15  31.265  -2.181  -1.320
   97    HD1  NVA  16           HD1      NVA  15  29.414  -3.803  -0.679
   98    HD2  NVA  16           HD2      NVA  15  30.382  -5.046  -1.474
   99    HD3  NVA  16           HD3      NVA  15  29.794  -3.661  -2.396
  100    HA   PRO  17           HA       PRO  16  34.207   1.107  -0.511
  101    HB2  PRO  17           HB2      PRO  16  34.996   1.042  -3.080
  102    HB3  PRO  17           HB1      PRO  16  36.063   0.540  -1.764
  103    HG2  PRO  17           HG2      PRO  16  34.437  -1.144  -3.628
  104    HG3  PRO  17           HG1      PRO  16  36.102  -1.383  -3.069
  105    HD2  PRO  17           HD2      PRO  16  33.947  -2.693  -2.011
  106    HD3  PRO  17           HD1      PRO  16  35.433  -2.352  -1.104
  107    HA   PRO  18           HA       PRO  17  30.185   2.134  -2.138
  108    HB2  PRO  18           HB2      PRO  17  30.692   4.793  -2.640
  109    HB3  PRO  18           HB1      PRO  17  30.264   4.141  -1.056
  110    HG2  PRO  18           HG2      PRO  17  32.956   4.821  -2.162
  111    HG3  PRO  18           HG1      PRO  17  32.308   5.106  -0.535
  112    HD2  PRO  18           HD2      PRO  17  34.000   3.085  -1.036
  113    HD3  PRO  18           HD1      PRO  17  32.668   2.913   0.127
  114    HA   PRO  19           HA       PRO  18  30.925   1.848  -6.526
  115    HB2  PRO  19           HB2      PRO  18  28.356   1.890  -7.351
  116    HB3  PRO  19           HB1      PRO  18  29.066   0.487  -6.544
  117    HG2  PRO  19           HG2      PRO  18  27.312   2.634  -5.419
  118    HG3  PRO  19           HG1      PRO  18  27.263   0.885  -5.135
  119    HD2  PRO  19           HD2      PRO  18  28.406   2.665  -3.405
  120    HD3  PRO  19           HD1      PRO  18  28.918   0.973  -3.551
  121    H    SER  20           HN       SER  19  31.908   3.739  -7.145
  122    HA   SER  20           HA       SER  19  30.213   5.752  -8.334
  123    HB2  SER  20           HB2      SER  19  31.427   7.632  -7.126
  124    HB3  SER  20           HB1      SER  19  30.273   6.721  -6.153
  125    HG   SER  20           HG       SER  19  32.432   7.145  -5.216
  126    HN1  NH2  21           H2       SER  19  31.563   4.301  -9.902
  127    HN2  NH2  21           H1       SER  19  33.055   4.992 -10.432
  Start of MODEL   12
    1    H1   ACE   1           HA2      ALA   1  19.475   1.257  -6.459
    2    H2   ACE   1           HA3      ALA   1  20.394   2.178  -7.658
    3    H3   ACE   1           HA1      ALA   1  20.158   2.832  -6.031
    4    H    ALA   2           HN       ALA   1  22.607   2.123  -7.639
    5    HA   ALA   2           HA       ALA   1  23.833  -0.133  -6.422
    6    HB1  ALA   2           HB2      ALA   1  25.903   0.689  -7.418
    7    HB2  ALA   2           HB3      ALA   1  25.121   2.226  -7.792
    8    HB3  ALA   2           HB1      ALA   1  24.576   0.743  -8.577
    9    H    TYR   3           HN       TYR   2  24.274   3.375  -5.892
   10    HA   TYR   3           HA       TYR   2  26.043   3.102  -3.709
   11    HB2  TYR   3           HB2      TYR   2  25.713   5.182  -5.085
   12    HB3  TYR   3           HB1      TYR   2  24.191   5.433  -4.236
   13    HD1  TYR   3           HD1      TYR   2  27.826   5.610  -4.007
   14    HD2  TYR   3           HD2      TYR   2  24.179   6.023  -1.852
   15    HE1  TYR   3           HE1      TYR   2  29.025   6.788  -2.214
   16    HE2  TYR   3           HE2      TYR   2  25.373   7.206  -0.056
   17    HH   TYR   3           HH       TYR   2  27.941   8.670  -0.199
   18    H    ALA   4           HN       ALA   3  22.517   3.374  -3.891
   19    HA   ALA   4           HA       ALA   3  22.000   3.702  -1.151
   20    HB1  ALA   4           HB1      ALA   3  20.269   4.130  -2.739
   21    HB2  ALA   4           HB2      ALA   3  19.735   2.805  -1.706
   22    HB3  ALA   4           HB3      ALA   3  20.326   2.471  -3.334
   23    H    GLN   5           HN       GLN   4  22.366   0.780  -3.130
   24    HA   GLN   5           HA       GLN   4  21.724  -1.087  -1.105
   25    HB2  GLN   5           HB2      GLN   4  22.274  -1.239  -3.793
   26    HB3  GLN   5           HB1      GLN   4  23.702  -1.981  -3.086
   27    HG2  GLN   5           HG2      GLN   4  21.227  -2.934  -1.893
   28    HG3  GLN   5           HG1      GLN   4  21.316  -3.229  -3.628
   29   HE21  GLN   5          HE21      GLN   4  22.954  -3.748  -0.560
   30   HE22  GLN   5          HE22      GLN   4  23.830  -5.152  -1.055
   31    H    TRP   6           HN       TRP   5  24.728   0.484  -2.067
   32    HA   TRP   6           HA       TRP   5  26.577  -1.028  -0.635
   33    HB2  TRP   6           HB2      TRP   5  27.359   0.605  -2.204
   34    HB3  TRP   6           HB1      TRP   5  26.542   1.909  -1.355
   35    HD1  TRP   6           HD1      TRP   5  29.441  -0.591  -0.691
   36    HE1  TRP   6           HE1      TRP   5  31.192   0.604   0.761
   37    HE3  TRP   6           HE3      TRP   5  27.018   3.858   0.024
   38    HZ2  TRP   6           HZ2      TRP   5  31.513   3.087   2.042
   39    HZ3  TRP   6           HZ3      TRP   5  28.124   5.592   1.378
   40    HH2  TRP   6           HH2      TRP   5  30.324   5.210   2.365
   41    H    LEU   7           HN       LEU   6  24.609   1.739   0.407
   42    HA   LEU   7           HA       LEU   6  25.681   1.948   3.015
   43    HB2  LEU   7           HB2      LEU   6  23.043   2.799   1.835
   44    HB3  LEU   7           HB1      LEU   6  23.480   3.127   3.500
   45    HG   LEU   7           HG       LEU   6  25.014   4.110   1.093
   46   HD11  LEU   7          HD11      LEU   6  22.824   5.294   2.731
   47   HD12  LEU   7          HD12      LEU   6  23.107   5.382   0.992
   48   HD13  LEU   7          HD13      LEU   6  24.090   6.344   2.097
   49   HD21  LEU   7          HD21      LEU   6  26.158   5.542   2.735
   50   HD22  LEU   7          HD22      LEU   6  26.434   3.828   3.043
   51   HD23  LEU   7          HD23      LEU   6  25.286   4.728   4.035
   52    H    ALA   8           HN       ALA   7  23.067   0.023   1.641
   53    HA   ALA   8           HA       ALA   7  21.872  -0.850   4.026
   54    HB1  ALA   8           HB1      ALA   7  20.720  -2.416   2.734
   55    HB2  ALA   8           HB2      ALA   7  22.030  -2.555   1.563
   56    HB3  ALA   8           HB3      ALA   7  21.043  -1.094   1.612
   57    H    ASP   9           HN       ASP   8  24.688  -2.049   2.259
   58    HA   ASP   9           HA       ASP   8  24.960  -4.448   3.786
   59    HB2  ASP   9           HB2      ASP   8  27.103  -3.032   2.186
   60    HB3  ASP   9           HB1      ASP   8  27.097  -4.717   2.685
   61    H    DAL  10           HN       DAL   9  25.656  -1.178   4.479
   62    HA   DAL  10           HA       DAL   9  27.508  -1.959   6.632
   63    HB1  DAL  10           HB1      DAL   9  25.185  -0.049   6.793
   64    HB2  DAL  10           HB2      DAL   9  26.404  -0.248   8.052
   65    HB3  DAL  10           HB3      DAL   9  25.354  -1.598   7.619
   66    H    GLY  11           HN       GLY  10  27.637  -0.489   3.835
   67    HA2  GLY  11           HA2      GLY  10  28.821   1.241   2.909
   68    HA3  GLY  11           HA1      GLY  10  28.505   2.149   4.378
   69    HA   PRO  12           HA       PRO  11  33.012   1.824   4.578
   70    HB2  PRO  12           HB2      PRO  11  32.631   3.514   6.969
   71    HB3  PRO  12           HB1      PRO  11  33.599   3.813   5.521
   72    HG2  PRO  12           HG2      PRO  11  31.322   5.149   5.988
   73    HG3  PRO  12           HG1      PRO  11  31.816   4.692   4.348
   74    HD2  PRO  12           HD2      PRO  11  29.783   3.423   6.142
   75    HD3  PRO  12           HD1      PRO  11  29.715   3.721   4.392
   76    H    ALA  13           HN       ALA  12  30.672   1.150   7.106
   77    HA   ALA  13           HA       ALA  12  32.494   0.115   9.022
   78    HB1  ALA  13           HB1      ALA  12  30.148   0.931   9.466
   79    HB2  ALA  13           HB2      ALA  12  30.603  -0.580  10.254
   80    HB3  ALA  13           HB3      ALA  12  29.582  -0.607   8.817
   81    H    SER  14           HN       SER  13  30.681  -1.374   6.369
   82    HA   SER  14           HA       SER  13  31.293  -4.057   7.140
   83    HB2  SER  14           HB2      SER  13  30.487  -4.633   4.838
   84    HB3  SER  14           HB1      SER  13  29.347  -3.675   5.780
   85    HG   SER  14           HG       SER  13  30.916  -2.922   3.578
   86    H    DAL  15           HN       DAL  14  33.014  -1.611   5.397
   87    HA   DAL  15           HA       DAL  14  35.276  -3.406   5.093
   88    HB1  DAL  15           HB1      DAL  14  36.547  -1.408   4.548
   89    HB2  DAL  15           HB2      DAL  14  35.607  -1.156   6.018
   90    HB3  DAL  15           HB3      DAL  14  35.063  -0.456   4.493
   91    H    NVA  16           HN       NVA  15  33.040  -1.577   3.067
   92    HA   NVA  16           HA       NVA  15  34.202  -2.866   0.688
   93    HB2  NVA  16           HB1      NVA  15  31.284  -2.398   1.334
   94    HB3  NVA  16           HB2      NVA  15  32.102  -3.950   1.259
   95    HG2  NVA  16           HG1      NVA  15  32.375  -2.463  -1.217
   96    HG3  NVA  16           HG2      NVA  15  30.688  -2.745  -0.779
   97    HD1  NVA  16           HD1      NVA  15  31.040  -5.103  -0.670
   98    HD2  NVA  16           HD2      NVA  15  32.783  -4.904  -0.854
   99    HD3  NVA  16           HD3      NVA  15  31.706  -4.527  -2.198
  100    HA   PRO  17           HA       PRO  16  34.556   1.314  -0.772
  101    HB2  PRO  17           HB2      PRO  16  35.118   0.795  -3.370
  102    HB3  PRO  17           HB1      PRO  16  36.290   0.546  -2.072
  103    HG2  PRO  17           HG2      PRO  16  34.541  -1.452  -3.451
  104    HG3  PRO  17           HG1      PRO  16  36.251  -1.586  -2.998
  105    HD2  PRO  17           HD2      PRO  16  34.251  -2.700  -1.540
  106    HD3  PRO  17           HD1      PRO  16  35.759  -2.112  -0.812
  107    HA   PRO  18           HA       PRO  17  30.336   2.082  -2.102
  108    HB2  PRO  18           HB2      PRO  17  30.793   4.739  -2.746
  109    HB3  PRO  18           HB1      PRO  17  30.379   4.143  -1.135
  110    HG2  PRO  18           HG2      PRO  17  33.061   4.811  -2.277
  111    HG3  PRO  18           HG1      PRO  17  32.415   5.144  -0.658
  112    HD2  PRO  18           HD2      PRO  17  34.126   3.138  -1.064
  113    HD3  PRO  18           HD1      PRO  17  32.765   2.959   0.064
  114    HA   PRO  19           HA       PRO  18  30.887   1.631  -6.508
  115    HB2  PRO  19           HB2      PRO  18  28.290   1.590  -7.227
  116    HB3  PRO  19           HB1      PRO  18  29.055   0.237  -6.386
  117    HG2  PRO  19           HG2      PRO  18  27.308   2.404  -5.293
  118    HG3  PRO  19           HG1      PRO  18  27.304   0.670  -4.925
  119    HD2  PRO  19           HD2      PRO  18  28.478   2.554  -3.331
  120    HD3  PRO  19           HD1      PRO  18  29.012   0.863  -3.412
  121    H    SER  20           HN       SER  19  31.008   2.933  -8.279
  122    HA   SER  20           HA       SER  19  29.551   5.473  -8.288
  123    HB2  SER  20           HB2      SER  19  32.533   5.141  -8.288
  124    HB3  SER  20           HB1      SER  19  31.805   6.501  -9.142
  125    HG   SER  20           HG       SER  19  31.809   5.914  -6.395
  126    HN1  NH2  21           H2       SER  19  32.002   3.680 -10.167
  127    HN2  NH2  21           H1       SER  19  31.190   3.831 -11.685
  Start of MODEL   13
    1    H1   ACE   1           HA2      ALA   1  19.155   1.404  -6.539
    2    H2   ACE   1           HA3      ALA   1  20.177   2.125  -7.790
    3    H3   ACE   1           HA1      ALA   1  19.965   2.947  -6.235
    4    H    ALA   2           HN       ALA   1  22.319   1.716  -7.796
    5    HA   ALA   2           HA       ALA   1  23.327  -0.455  -6.308
    6    HB1  ALA   2           HB2      ALA   1  25.549   0.263  -7.267
    7    HB2  ALA   2           HB3      ALA   1  24.693   1.611  -8.016
    8    HB3  ALA   2           HB1      ALA   1  24.270  -0.047  -8.440
    9    H    TYR   3           HN       TYR   2  23.902   3.048  -6.017
   10    HA   TYR   3           HA       TYR   2  25.743   2.907  -3.893
   11    HB2  TYR   3           HB2      TYR   2  25.301   4.913  -5.355
   12    HB3  TYR   3           HB1      TYR   2  23.827   5.181  -4.431
   13    HD1  TYR   3           HD1      TYR   2  27.448   5.487  -4.465
   14    HD2  TYR   3           HD2      TYR   2  23.963   5.820  -2.045
   15    HE1  TYR   3           HE1      TYR   2  28.731   6.768  -2.805
   16    HE2  TYR   3           HE2      TYR   2  25.239   7.103  -0.379
   17    HH   TYR   3           HH       TYR   2  28.475   7.183  -0.195
   18    H    ALA   4           HN       ALA   3  22.209   3.169  -3.928
   19    HA   ALA   4           HA       ALA   3  21.808   3.584  -1.184
   20    HB1  ALA   4           HB1      ALA   3  20.036   3.897  -2.816
   21    HB2  ALA   4           HB2      ALA   3  19.532   2.755  -1.571
   22    HB3  ALA   4           HB3      ALA   3  20.022   2.166  -3.159
   23    H    GLN   5           HN       GLN   4  22.205   0.605  -3.056
   24    HA   GLN   5           HA       GLN   4  21.627  -1.202  -0.959
   25    HB2  GLN   5           HB2      GLN   4  22.701  -1.345  -3.674
   26    HB3  GLN   5           HB1      GLN   4  23.422  -2.532  -2.597
   27    HG2  GLN   5           HG2      GLN   4  21.547  -3.750  -2.473
   28    HG3  GLN   5           HG1      GLN   4  20.505  -2.332  -2.404
   29   HE21  GLN   5          HE21      GLN   4  20.048  -4.721  -3.904
   30   HE22  GLN   5          HE22      GLN   4  19.999  -4.278  -5.573
   31    H    TRP   6           HN       TRP   5  24.602   0.375  -2.030
   32    HA   TRP   6           HA       TRP   5  26.482  -1.031  -0.539
   33    HB2  TRP   6           HB2      TRP   5  27.205   0.557  -2.193
   34    HB3  TRP   6           HB1      TRP   5  26.398   1.879  -1.362
   35    HD1  TRP   6           HD1      TRP   5  29.327  -0.583  -0.687
   36    HE1  TRP   6           HE1      TRP   5  31.099   0.664   0.694
   37    HE3  TRP   6           HE3      TRP   5  26.889   3.868  -0.062
   38    HZ2  TRP   6           HZ2      TRP   5  31.427   3.195   1.891
   39    HZ3  TRP   6           HZ3      TRP   5  28.006   5.652   1.214
   40    HH2  TRP   6           HH2      TRP   5  30.226   5.318   2.170
   41    H    LEU   7           HN       LEU   6  24.488   1.761   0.400
   42    HA   LEU   7           HA       LEU   6  25.574   2.077   2.992
   43    HB2  LEU   7           HB2      LEU   6  22.924   2.874   1.799
   44    HB3  LEU   7           HB1      LEU   6  23.377   3.270   3.446
   45    HG   LEU   7           HG       LEU   6  24.903   4.148   0.995
   46   HD11  LEU   7          HD11      LEU   6  22.989   5.402   0.823
   47   HD12  LEU   7          HD12      LEU   6  23.970   6.426   1.874
   48   HD13  LEU   7          HD13      LEU   6  22.706   5.409   2.564
   49   HD21  LEU   7          HD21      LEU   6  25.158   4.910   3.903
   50   HD22  LEU   7          HD22      LEU   6  26.036   5.660   2.569
   51   HD23  LEU   7          HD23      LEU   6  26.311   3.963   2.963
   52    H    ALA   8           HN       ALA   7  22.895   0.149   1.729
   53    HA   ALA   8           HA       ALA   7  21.763  -0.659   4.163
   54    HB1  ALA   8           HB1      ALA   7  20.593  -0.988   2.083
   55    HB2  ALA   8           HB2      ALA   7  20.825  -2.550   2.868
   56    HB3  ALA   8           HB3      ALA   7  21.847  -2.087   1.509
   57    H    ASP   9           HN       ASP   8  24.526  -1.918   2.362
   58    HA   ASP   9           HA       ASP   8  24.814  -4.289   3.927
   59    HB2  ASP   9           HB2      ASP   8  26.997  -2.964   2.313
   60    HB3  ASP   9           HB1      ASP   8  26.853  -4.662   2.746
   61    H    DAL  10           HN       DAL   9  25.558  -1.013   4.539
   62    HA   DAL  10           HA       DAL   9  27.467  -1.770   6.649
   63    HB1  DAL  10           HB1      DAL   9  26.343  -0.587   8.262
   64    HB2  DAL  10           HB2      DAL   9  24.998  -1.197   7.298
   65    HB3  DAL  10           HB3      DAL   9  25.546   0.466   7.092
   66    H    GLY  11           HN       GLY  10  27.554  -0.356   3.841
   67    HA2  GLY  11           HA2      GLY  10  28.707   1.370   2.864
   68    HA3  GLY  11           HA1      GLY  10  28.401   2.304   4.319
   69    HA   PRO  12           HA       PRO  11  32.914   2.052   4.479
   70    HB2  PRO  12           HB2      PRO  11  32.507   3.707   6.895
   71    HB3  PRO  12           HB1      PRO  11  33.477   4.034   5.456
   72    HG2  PRO  12           HG2      PRO  11  31.182   5.333   5.922
   73    HG3  PRO  12           HG1      PRO  11  31.683   4.891   4.279
   74    HD2  PRO  12           HD2      PRO  11  29.663   3.588   6.064
   75    HD3  PRO  12           HD1      PRO  11  29.598   3.890   4.314
   76    H    ALA  13           HN       ALA  12  30.622   1.335   7.045
   77    HA   ALA  13           HA       ALA  12  32.478   0.294   8.918
   78    HB1  ALA  13           HB1      ALA  12  30.424   0.920   9.822
   79    HB2  ALA  13           HB2      ALA  12  30.377  -0.843   9.851
   80    HB3  ALA  13           HB3      ALA  12  29.508   0.042   8.598
   81    H    SER  14           HN       SER  13  30.608  -1.200   6.301
   82    HA   SER  14           HA       SER  13  31.218  -3.884   6.970
   83    HB2  SER  14           HB2      SER  13  30.420  -4.442   4.733
   84    HB3  SER  14           HB1      SER  13  29.350  -3.254   5.474
   85    HG   SER  14           HG       SER  13  30.011  -1.763   4.083
   86    H    DAL  15           HN       DAL  14  33.001  -1.414   5.280
   87    HA   DAL  15           HA       DAL  14  35.295  -3.194   5.100
   88    HB1  DAL  15           HB1      DAL  14  36.571  -1.183   4.587
   89    HB2  DAL  15           HB2      DAL  14  35.584  -0.944   6.030
   90    HB3  DAL  15           HB3      DAL  14  35.079  -0.246   4.491
   91    H    NVA  16           HN       NVA  15  33.109  -1.416   2.984
   92    HA   NVA  16           HA       NVA  15  34.418  -2.627   0.641
   93    HB2  NVA  16           HB1      NVA  15  31.443  -2.372   1.140
   94    HB3  NVA  16           HB2      NVA  15  32.369  -3.865   1.203
   95    HG2  NVA  16           HG1      NVA  15  32.447  -2.284  -1.312
   96    HG3  NVA  16           HG2      NVA  15  30.977  -3.184  -0.929
   97    HD1  NVA  16           HD1      NVA  15  32.000  -4.912  -1.907
   98    HD2  NVA  16           HD2      NVA  15  32.944  -5.019  -0.421
   99    HD3  NVA  16           HD3      NVA  15  33.584  -4.144  -1.812
  100    HA   PRO  17           HA       PRO  16  34.433   1.579  -0.797
  101    HB2  PRO  17           HB2      PRO  16  35.076   1.121  -3.393
  102    HB3  PRO  17           HB1      PRO  16  36.248   0.988  -2.076
  103    HG2  PRO  17           HG2      PRO  16  34.732  -1.170  -3.490
  104    HG3  PRO  17           HG1      PRO  16  36.433  -1.139  -2.989
  105    HD2  PRO  17           HD2      PRO  16  34.502  -2.440  -1.589
  106    HD3  PRO  17           HD1      PRO  16  35.935  -1.727  -0.823
  107    HA   PRO  18           HA       PRO  17  30.196   2.034  -2.182
  108    HB2  PRO  18           HB2      PRO  17  30.527   4.680  -2.994
  109    HB3  PRO  18           HB1      PRO  17  30.077   4.153  -1.372
  110    HG2  PRO  18           HG2      PRO  17  32.751   4.938  -2.438
  111    HG3  PRO  18           HG1      PRO  17  32.034   5.261  -0.848
  112    HD2  PRO  18           HD2      PRO  17  33.893   3.366  -1.169
  113    HD3  PRO  18           HD1      PRO  17  32.527   3.133  -0.056
  114    HA   PRO  19           HA       PRO  18  30.353   1.070  -6.505
  115    HB2  PRO  19           HB2      PRO  18  27.854   2.701  -6.616
  116    HB3  PRO  19           HB1      PRO  18  28.165   1.074  -7.231
  117    HG2  PRO  19           HG2      PRO  18  26.773   1.430  -4.993
  118    HG3  PRO  19           HG1      PRO  18  27.930   0.095  -5.142
  119    HD2  PRO  19           HD2      PRO  18  28.178   2.657  -3.643
  120    HD3  PRO  19           HD1      PRO  18  28.814   1.050  -3.247
  121    H    SER  20           HN       SER  19  31.934   2.147  -7.549
  122    HA   SER  20           HA       SER  19  31.290   4.626  -8.870
  123    HB2  SER  20           HB2      SER  19  32.328   5.050  -6.444
  124    HB3  SER  20           HB1      SER  19  33.834   4.798  -7.326
  125    HG   SER  20           HG       SER  19  33.440   6.554  -8.537
  126    HN1  NH2  21           H2       SER  19  32.303   4.749 -10.789
  127    HN2  NH2  21           H1       SER  19  33.605   3.732 -11.295
  Start of MODEL   14
    1    H1   ACE   1           HA2      ALA   1  20.269   1.279  -6.749
    2    H2   ACE   1           HA3      ALA   1  19.830  -0.344  -7.274
    3    H3   ACE   1           HA1      ALA   1  20.255   0.909  -8.470
    4    H    ALA   2           HN       ALA   1  22.307   1.700  -6.239
    5    HA   ALA   2           HA       ALA   1  24.248  -0.433  -6.418
    6    HB1  ALA   2           HB2      ALA   1  25.937   1.279  -7.430
    7    HB2  ALA   2           HB3      ALA   1  24.483   2.052  -8.061
    8    HB3  ALA   2           HB1      ALA   1  24.852   0.381  -8.490
    9    H    TYR   3           HN       TYR   2  24.342   3.120  -5.972
   10    HA   TYR   3           HA       TYR   2  26.126   2.982  -3.772
   11    HB2  TYR   3           HB2      TYR   2  25.794   4.962  -5.306
   12    HB3  TYR   3           HB1      TYR   2  24.291   5.285  -4.449
   13    HD1  TYR   3           HD1      TYR   2  27.913   5.517  -4.346
   14    HD2  TYR   3           HD2      TYR   2  24.346   5.966  -2.066
   15    HE1  TYR   3           HE1      TYR   2  29.155   6.817  -2.670
   16    HE2  TYR   3           HE2      TYR   2  25.584   7.266  -0.382
   17    HH   TYR   3           HH       TYR   2  28.229   7.334   0.319
   18    H    ALA   4           HN       ALA   3  22.604   3.329  -4.009
   19    HA   ALA   4           HA       ALA   3  22.076   3.787  -1.290
   20    HB1  ALA   4           HB1      ALA   3  20.339   2.440  -3.356
   21    HB2  ALA   4           HB2      ALA   3  20.404   4.168  -3.009
   22    HB3  ALA   4           HB3      ALA   3  19.790   3.047  -1.793
   23    H    GLN   5           HN       GLN   4  22.399   0.782  -3.143
   24    HA   GLN   5           HA       GLN   4  21.669  -0.982  -1.052
   25    HB2  GLN   5           HB2      GLN   4  22.016  -1.366  -3.651
   26    HB3  GLN   5           HB1      GLN   4  23.637  -1.816  -3.140
   27    HG2  GLN   5           HG2      GLN   4  22.501  -3.831  -3.181
   28    HG3  GLN   5           HG1      GLN   4  22.468  -3.378  -1.478
   29   HE21  GLN   5          HE21      GLN   4  20.698  -5.210  -2.628
   30   HE22  GLN   5          HE22      GLN   4  19.104  -4.546  -2.570
   31    H    TRP   6           HN       TRP   5  24.739   0.443  -2.053
   32    HA   TRP   6           HA       TRP   5  26.514  -1.053  -0.518
   33    HB2  TRP   6           HB2      TRP   5  27.373   0.477  -2.149
   34    HB3  TRP   6           HB1      TRP   5  26.585   1.845  -1.375
   35    HD1  TRP   6           HD1      TRP   5  29.390  -0.712  -0.552
   36    HE1  TRP   6           HE1      TRP   5  31.155   0.490   0.881
   37    HE3  TRP   6           HE3      TRP   5  27.094   3.833  -0.070
   38    HZ2  TRP   6           HZ2      TRP   5  31.530   3.023   2.058
   39    HZ3  TRP   6           HZ3      TRP   5  28.227   5.593   1.227
   40    HH2  TRP   6           HH2      TRP   5  30.398   5.192   2.269
   41    H    LEU   7           HN       LEU   6  24.612   1.814   0.365
   42    HA   LEU   7           HA       LEU   6  25.660   2.119   2.976
   43    HB2  LEU   7           HB2      LEU   6  23.055   2.985   1.731
   44    HB3  LEU   7           HB1      LEU   6  23.502   3.393   3.376
   45    HG   LEU   7           HG       LEU   6  25.093   4.178   0.935
   46   HD11  LEU   7          HD11      LEU   6  23.219   5.480   0.688
   47   HD12  LEU   7          HD12      LEU   6  24.199   6.500   1.742
   48   HD13  LEU   7          HD13      LEU   6  22.892   5.530   2.420
   49   HD21  LEU   7          HD21      LEU   6  26.458   4.014   2.933
   50   HD22  LEU   7          HD22      LEU   6  25.303   4.997   3.831
   51   HD23  LEU   7          HD23      LEU   6  26.219   5.708   2.503
   52    H    ALA   8           HN       ALA   7  22.976   0.243   1.663
   53    HA   ALA   8           HA       ALA   7  21.738  -0.498   4.068
   54    HB1  ALA   8           HB1      ALA   7  20.490  -1.990   2.823
   55    HB2  ALA   8           HB2      ALA   7  21.823  -2.359   1.730
   56    HB3  ALA   8           HB3      ALA   7  20.981  -0.815   1.603
   57    H    ASP   9           HN       ASP   8  24.527  -1.855   2.383
   58    HA   ASP   9           HA       ASP   8  24.688  -4.213   3.992
   59    HB2  ASP   9           HB2      ASP   8  26.989  -3.009   2.454
   60    HB3  ASP   9           HB1      ASP   8  26.712  -4.698   2.858
   61    H    DAL  10           HN       DAL   9  25.522  -0.950   4.567
   62    HA   DAL  10           HA       DAL   9  27.345  -1.735   6.744
   63    HB1  DAL  10           HB1      DAL   9  25.034  -1.208   7.532
   64    HB2  DAL  10           HB2      DAL   9  25.270   0.439   6.944
   65    HB3  DAL  10           HB3      DAL   9  26.296  -0.193   8.233
   66    H    GLY  11           HN       GLY  10  27.508  -0.340   3.907
   67    HA2  GLY  11           HA2      GLY  10  28.721   1.349   2.938
   68    HA3  GLY  11           HA1      GLY  10  28.498   2.273   4.415
   69    HA   PRO  12           HA       PRO  11  32.989   1.733   4.480
   70    HB2  PRO  12           HB2      PRO  11  32.739   3.377   6.925
   71    HB3  PRO  12           HB1      PRO  11  33.701   3.659   5.470
   72    HG2  PRO  12           HG2      PRO  11  31.508   5.102   5.994
   73    HG3  PRO  12           HG1      PRO  11  31.944   4.644   4.337
   74    HD2  PRO  12           HD2      PRO  11  29.880   3.456   6.152
   75    HD3  PRO  12           HD1      PRO  11  29.795   3.785   4.410
   76    H    ALA  13           HN       ALA  12  30.706   1.137   7.089
   77    HA   ALA  13           HA       ALA  12  32.524  -0.057   8.906
   78    HB1  ALA  13           HB1      ALA  12  30.513   0.708   9.834
   79    HB2  ALA  13           HB2      ALA  12  30.394  -1.050   9.891
   80    HB3  ALA  13           HB3      ALA  12  29.535  -0.148   8.643
   81    H    SER  14           HN       SER  13  30.524  -1.368   6.291
   82    HA   SER  14           HA       SER  13  30.936  -4.099   6.905
   83    HB2  SER  14           HB2      SER  13  30.061  -4.560   4.689
   84    HB3  SER  14           HB1      SER  13  29.122  -3.261   5.422
   85    HG   SER  14           HG       SER  13  29.679  -2.788   3.258
   86    H    DAL  15           HN       DAL  14  32.896  -1.743   5.242
   87    HA   DAL  15           HA       DAL  14  35.049  -3.688   5.029
   88    HB1  DAL  15           HB1      DAL  14  35.033  -0.712   4.529
   89    HB2  DAL  15           HB2      DAL  14  36.461  -1.746   4.507
   90    HB3  DAL  15           HB3      DAL  14  35.558  -1.522   6.006
   91    H    NVA  16           HN       NVA  15  32.980  -1.743   2.950
   92    HA   NVA  16           HA       NVA  15  34.209  -3.002   0.587
   93    HB2  NVA  16           HB1      NVA  15  31.273  -2.571   1.174
   94    HB3  NVA  16           HB2      NVA  15  32.106  -4.113   1.043
   95    HG2  NVA  16           HG1      NVA  15  32.515  -2.656  -1.373
   96    HG3  NVA  16           HG2      NVA  15  30.792  -2.660  -0.986
   97    HD1  NVA  16           HD1      NVA  15  32.574  -5.082  -1.178
   98    HD2  NVA  16           HD2      NVA  15  31.375  -4.571  -2.367
   99    HD3  NVA  16           HD3      NVA  15  30.860  -5.097  -0.764
  100    HA   PRO  17           HA       PRO  16  34.600   1.210  -0.782
  101    HB2  PRO  17           HB2      PRO  16  35.179   0.731  -3.393
  102    HB3  PRO  17           HB1      PRO  16  36.347   0.498  -2.088
  103    HG2  PRO  17           HG2      PRO  16  34.662  -1.525  -3.507
  104    HG3  PRO  17           HG1      PRO  16  36.360  -1.632  -3.011
  105    HD2  PRO  17           HD2      PRO  16  34.344  -2.793  -1.616
  106    HD3  PRO  17           HD1      PRO  16  35.824  -2.190  -0.846
  107    HA   PRO  18           HA       PRO  17  30.383   1.993  -2.135
  108    HB2  PRO  18           HB2      PRO  17  30.864   4.665  -2.733
  109    HB3  PRO  18           HB1      PRO  17  30.392   4.045  -1.149
  110    HG2  PRO  18           HG2      PRO  17  33.106   4.742  -2.180
  111    HG3  PRO  18           HG1      PRO  17  32.411   5.014  -0.572
  112    HD2  PRO  18           HD2      PRO  17  34.147   3.031  -1.006
  113    HD3  PRO  18           HD1      PRO  17  32.764   2.812   0.088
  114    HA   PRO  19           HA       PRO  18  31.014   1.615  -6.537
  115    HB2  PRO  19           HB2      PRO  18  28.426   1.539  -7.296
  116    HB3  PRO  19           HB1      PRO  18  29.208   0.185  -6.474
  117    HG2  PRO  19           HG2      PRO  18  27.397   2.286  -5.362
  118    HG3  PRO  19           HG1      PRO  18  27.433   0.546  -5.026
  119    HD2  PRO  19           HD2      PRO  18  28.537   2.434  -3.385
  120    HD3  PRO  19           HD1      PRO  18  29.110   0.759  -3.480
  121    H    SER  20           HN       SER  19  31.552   3.170  -7.924
  122    HA   SER  20           HA       SER  19  29.765   5.391  -8.449
  123    HB2  SER  20           HB2      SER  19  31.597   7.081  -8.083
  124    HB3  SER  20           HB1      SER  19  30.986   6.338  -6.606
  125    HG   SER  20           HG       SER  19  32.834   5.279  -6.347
  126    HN1  NH2  21           H2       SER  19  30.107   6.349 -10.445
  127    HN2  NH2  21           H1       SER  19  31.247   5.747 -11.595
  Start of MODEL   15
    1    H1   ACE   1           HA2      ALA   1  19.440   1.419  -6.390
    2    H2   ACE   1           HA3      ALA   1  20.385   2.276  -7.616
    3    H3   ACE   1           HA1      ALA   1  20.189   2.974  -6.001
    4    H    ALA   2           HN       ALA   1  22.610   2.189  -7.570
    5    HA   ALA   2           HA       ALA   1  23.753  -0.109  -6.334
    6    HB1  ALA   2           HB2      ALA   1  24.395   1.278  -8.528
    7    HB2  ALA   2           HB3      ALA   1  25.543   0.243  -7.679
    8    HB3  ALA   2           HB1      ALA   1  25.553   1.984  -7.400
    9    H    TYR   3           HN       TYR   2  24.246   3.393  -5.832
   10    HA   TYR   3           HA       TYR   2  26.052   3.119  -3.677
   11    HB2  TYR   3           HB2      TYR   2  25.690   5.192  -5.073
   12    HB3  TYR   3           HB1      TYR   2  24.201   5.458  -4.173
   13    HD1  TYR   3           HD1      TYR   2  27.841   5.618  -4.081
   14    HD2  TYR   3           HD2      TYR   2  24.280   6.064  -1.792
   15    HE1  TYR   3           HE1      TYR   2  29.112   6.808  -2.345
   16    HE2  TYR   3           HE2      TYR   2  25.547   7.258  -0.051
   17    HH   TYR   3           HH       TYR   2  28.790   7.191   0.241
   18    H    ALA   4           HN       ALA   3  22.527   3.439  -3.814
   19    HA   ALA   4           HA       ALA   3  22.059   3.754  -1.059
   20    HB1  ALA   4           HB1      ALA   3  20.328   4.241  -2.646
   21    HB2  ALA   4           HB2      ALA   3  19.764   2.953  -1.578
   22    HB3  ALA   4           HB3      ALA   3  20.312   2.570  -3.212
   23    H    GLN   5           HN       GLN   4  22.338   0.848  -3.077
   24    HA   GLN   5           HA       GLN   4  21.661  -1.034  -1.082
   25    HB2  GLN   5           HB2      GLN   4  22.282  -1.146  -3.775
   26    HB3  GLN   5           HB1      GLN   4  23.642  -1.967  -3.025
   27    HG2  GLN   5           HG2      GLN   4  22.215  -3.714  -3.374
   28    HG3  GLN   5           HG1      GLN   4  21.783  -3.255  -1.728
   29   HE21  GLN   5          HE21      GLN   4  19.678  -3.307  -1.405
   30   HE22  GLN   5          HE22      GLN   4  18.458  -2.880  -2.552
   31    H    TRP   6           HN       TRP   5  24.700   0.480  -2.023
   32    HA   TRP   6           HA       TRP   5  26.501  -1.061  -0.554
   33    HB2  TRP   6           HB2      TRP   5  27.316   0.520  -2.169
   34    HB3  TRP   6           HB1      TRP   5  26.552   1.861  -1.326
   35    HD1  TRP   6           HD1      TRP   5  29.379  -0.723  -0.663
   36    HE1  TRP   6           HE1      TRP   5  31.181   0.437   0.759
   37    HE3  TRP   6           HE3      TRP   5  27.093   3.798   0.024
   38    HZ2  TRP   6           HZ2      TRP   5  31.584   2.931   2.007
   39    HZ3  TRP   6           HZ3      TRP   5  28.258   5.518   1.346
   40    HH2  TRP   6           HH2      TRP   5  30.457   5.090   2.316
   41    H    LEU   7           HN       LEU   6  24.600   1.780   0.418
   42    HA   LEU   7           HA       LEU   6  25.675   2.022   3.024
   43    HB2  LEU   7           HB2      LEU   6  23.083   2.940   1.797
   44    HB3  LEU   7           HB1      LEU   6  23.486   3.262   3.472
   45    HG   LEU   7           HG       LEU   6  25.082   4.196   1.085
   46   HD11  LEU   7          HD11      LEU   6  23.267   5.580   1.003
   47   HD12  LEU   7          HD12      LEU   6  24.266   6.452   2.165
   48   HD13  LEU   7          HD13      LEU   6  22.939   5.437   2.730
   49   HD21  LEU   7          HD21      LEU   6  26.508   3.828   3.009
   50   HD22  LEU   7          HD22      LEU   6  25.403   4.743   4.035
   51   HD23  LEU   7          HD23      LEU   6  26.290   5.559   2.748
   52    H    ALA   8           HN       ALA   7  22.977   0.172   1.702
   53    HA   ALA   8           HA       ALA   7  21.753  -0.613   4.095
   54    HB1  ALA   8           HB1      ALA   7  20.388  -1.214   2.412
   55    HB2  ALA   8           HB2      ALA   7  21.268  -2.739   2.496
   56    HB3  ALA   8           HB3      ALA   7  21.720  -1.525   1.299
   57    H    ASP   9           HN       ASP   8  24.534  -1.958   2.379
   58    HA   ASP   9           HA       ASP   8  24.721  -4.312   3.994
   59    HB2  ASP   9           HB2      ASP   8  27.017  -3.125   2.444
   60    HB3  ASP   9           HB1      ASP   8  26.704  -4.815   2.816
   61    H    DAL  10           HN       DAL   9  25.551  -1.052   4.559
   62    HA   DAL  10           HA       DAL   9  27.397  -1.831   6.719
   63    HB1  DAL  10           HB1      DAL   9  25.937   0.572   7.344
   64    HB2  DAL  10           HB2      DAL   9  26.071  -0.932   8.256
   65    HB3  DAL  10           HB3      DAL   9  24.834  -0.763   7.010
   66    H    GLY  11           HN       GLY  10  27.512  -0.435   3.854
   67    HA2  GLY  11           HA2      GLY  10  28.771   1.199   2.854
   68    HA3  GLY  11           HA1      GLY  10  28.563   2.152   4.314
   69    HA   PRO  12           HA       PRO  11  33.045   1.579   4.422
   70    HB2  PRO  12           HB2      PRO  11  32.782   3.171   6.900
   71    HB3  PRO  12           HB1      PRO  11  33.758   3.480   5.462
   72    HG2  PRO  12           HG2      PRO  11  31.568   4.923   5.995
   73    HG3  PRO  12           HG1      PRO  11  32.017   4.496   4.333
   74    HD2  PRO  12           HD2      PRO  11  29.930   3.284   6.104
   75    HD3  PRO  12           HD1      PRO  11  29.865   3.647   4.366
   76    H    ALA  13           HN       ALA  12  30.738   0.934   6.994
   77    HA   ALA  13           HA       ALA  12  32.531  -0.305   8.805
   78    HB1  ALA  13           HB1      ALA  12  29.544  -0.413   8.501
   79    HB2  ALA  13           HB2      ALA  12  30.497   0.447   9.709
   80    HB3  ALA  13           HB3      ALA  12  30.402  -1.313   9.752
   81    H    SER  14           HN       SER  13  30.570  -1.553   6.132
   82    HA   SER  14           HA       SER  13  31.000  -4.299   6.687
   83    HB2  SER  14           HB2      SER  13  30.127  -4.715   4.457
   84    HB3  SER  14           HB1      SER  13  29.168  -3.458   5.236
   85    HG   SER  14           HG       SER  13  29.900  -2.017   3.848
   86    H    DAL  15           HN       DAL  14  32.933  -1.880   5.092
   87    HA   DAL  15           HA       DAL  14  35.109  -3.787   4.828
   88    HB1  DAL  15           HB1      DAL  14  35.578  -1.620   5.830
   89    HB2  DAL  15           HB2      DAL  14  35.045  -0.807   4.359
   90    HB3  DAL  15           HB3      DAL  14  36.488  -1.820   4.333
   91    H    NVA  16           HN       NVA  15  33.014  -1.835   2.778
   92    HA   NVA  16           HA       NVA  15  34.251  -3.052   0.397
   93    HB2  NVA  16           HB1      NVA  15  31.307  -2.620   0.947
   94    HB3  NVA  16           HB2      NVA  15  32.134  -4.168   0.885
   95    HG2  NVA  16           HG1      NVA  15  32.231  -2.408  -1.515
   96    HG3  NVA  16           HG2      NVA  15  30.745  -3.294  -1.157
   97    HD1  NVA  16           HD1      NVA  15  31.858  -5.382  -1.284
   98    HD2  NVA  16           HD2      NVA  15  33.443  -4.609  -1.316
   99    HD3  NVA  16           HD3      NVA  15  32.358  -4.453  -2.697
  100    HA   PRO  17           HA       PRO  16  34.612   1.168  -0.948
  101    HB2  PRO  17           HB2      PRO  16  35.103   0.723  -3.583
  102    HB3  PRO  17           HB1      PRO  16  36.310   0.456  -2.320
  103    HG2  PRO  17           HG2      PRO  16  34.545  -1.527  -3.703
  104    HG3  PRO  17           HG1      PRO  16  36.265  -1.657  -3.288
  105    HD2  PRO  17           HD2      PRO  16  34.317  -2.826  -1.816
  106    HD3  PRO  17           HD1      PRO  16  35.823  -2.222  -1.098
  107    HA   PRO  18           HA       PRO  17  30.358   1.979  -2.151
  108    HB2  PRO  18           HB2      PRO  17  30.805   4.671  -2.659
  109    HB3  PRO  18           HB1      PRO  17  30.390   3.988  -1.085
  110    HG2  PRO  18           HG2      PRO  17  33.062   4.747  -2.179
  111    HG3  PRO  18           HG1      PRO  17  32.420   4.951  -0.538
  112    HD2  PRO  18           HD2      PRO  17  34.157   2.999  -1.118
  113    HD3  PRO  18           HD1      PRO  17  32.823   2.733   0.026
  114    HA   PRO  19           HA       PRO  18  30.838   1.803  -6.585
  115    HB2  PRO  19           HB2      PRO  18  28.230   1.702  -7.254
  116    HB3  PRO  19           HB1      PRO  18  29.060   0.337  -6.498
  117    HG2  PRO  19           HG2      PRO  18  27.249   2.370  -5.267
  118    HG3  PRO  19           HG1      PRO  18  27.332   0.623  -4.980
  119    HD2  PRO  19           HD2      PRO  18  28.460   2.507  -3.336
  120    HD3  PRO  19           HD1      PRO  18  29.036   0.835  -3.469
  121    H    SER  20           HN       SER  19  31.680   3.757  -7.210
  122    HA   SER  20           HA       SER  19  29.819   5.688  -8.280
  123    HB2  SER  20           HB2      SER  19  31.082   7.598  -7.091
  124    HB3  SER  20           HB1      SER  19  29.893   6.695  -6.153
  125    HG   SER  20           HG       SER  19  31.453   5.819  -4.982
  126    HN1  NH2  21           H2       SER  19  30.571   6.164 -10.225
  127    HN2  NH2  21           H1       SER  19  32.233   6.242 -10.690
  Start of MODEL   16
    1    H1   ACE   1           HA2      ALA   1  19.721   0.097  -6.484
    2    H2   ACE   1           HA3      ALA   1  20.461   1.111  -7.731
    3    H3   ACE   1           HA1      ALA   1  20.270   1.732  -6.086
    4    H    ALA   2           HN       ALA   1  22.727   1.855  -7.217
    5    HA   ALA   2           HA       ALA   1  24.248  -0.465  -6.301
    6    HB1  ALA   2           HB2      ALA   1  24.851   0.378  -8.471
    7    HB2  ALA   2           HB3      ALA   1  26.180   0.682  -7.352
    8    HB3  ALA   2           HB1      ALA   1  25.101   1.997  -7.818
    9    H    TYR   3           HN       TYR   2  24.474   3.088  -5.913
   10    HA   TYR   3           HA       TYR   2  26.211   2.939  -3.669
   11    HB2  TYR   3           HB2      TYR   2  25.948   4.920  -5.216
   12    HB3  TYR   3           HB1      TYR   2  24.421   5.261  -4.409
   13    HD1  TYR   3           HD1      TYR   2  28.059   5.353  -4.129
   14    HD2  TYR   3           HD2      TYR   2  24.389   6.057  -2.090
   15    HE1  TYR   3           HE1      TYR   2  29.263   6.642  -2.416
   16    HE2  TYR   3           HE2      TYR   2  25.589   7.348  -0.372
   17    HH   TYR   3           HH       TYR   2  28.219   8.713  -0.589
   18    H    ALA   4           HN       ALA   3  22.703   3.359  -4.005
   19    HA   ALA   4           HA       ALA   3  22.106   3.831  -1.306
   20    HB1  ALA   4           HB1      ALA   3  20.450   4.275  -2.960
   21    HB2  ALA   4           HB2      ALA   3  19.818   3.010  -1.905
   22    HB3  ALA   4           HB3      ALA   3  20.450   2.595  -3.499
   23    H    GLN   5           HN       GLN   4  22.403   0.796  -3.128
   24    HA   GLN   5           HA       GLN   4  21.595  -0.918  -1.021
   25    HB2  GLN   5           HB2      GLN   4  21.689  -1.578  -3.426
   26    HB3  GLN   5           HB1      GLN   4  23.444  -1.560  -3.329
   27    HG2  GLN   5           HG2      GLN   4  22.610  -3.819  -3.162
   28    HG3  GLN   5           HG1      GLN   4  23.370  -3.334  -1.647
   29   HE21  GLN   5          HE21      GLN   4  22.191  -3.336   0.196
   30   HE22  GLN   5          HE22      GLN   4  20.527  -3.788   0.286
   31    H    TRP   6           HN       TRP   5  24.715   0.400  -2.017
   32    HA   TRP   6           HA       TRP   5  26.429  -1.115  -0.438
   33    HB2  TRP   6           HB2      TRP   5  27.371   0.349  -2.069
   34    HB3  TRP   6           HB1      TRP   5  26.584   1.755  -1.366
   35    HD1  TRP   6           HD1      TRP   5  29.310  -0.820  -0.348
   36    HE1  TRP   6           HE1      TRP   5  31.049   0.403   1.094
   37    HE3  TRP   6           HE3      TRP   5  27.102   3.787  -0.147
   38    HZ2  TRP   6           HZ2      TRP   5  31.439   2.977   2.176
   39    HZ3  TRP   6           HZ3      TRP   5  28.228   5.578   1.113
   40    HH2  TRP   6           HH2      TRP   5  30.354   5.176   2.248
   41    H    LEU   7           HN       LEU   6  24.583   1.802   0.385
   42    HA   LEU   7           HA       LEU   6  25.624   2.134   2.993
   43    HB2  LEU   7           HB2      LEU   6  23.024   3.019   1.747
   44    HB3  LEU   7           HB1      LEU   6  23.515   3.474   3.367
   45    HG   LEU   7           HG       LEU   6  25.086   4.136   0.875
   46   HD11  LEU   7          HD11      LEU   6  24.181   6.504   1.759
   47   HD12  LEU   7          HD12      LEU   6  22.817   5.476   2.198
   48   HD13  LEU   7          HD13      LEU   6  23.363   5.547   0.522
   49   HD21  LEU   7          HD21      LEU   6  26.240   5.716   2.371
   50   HD22  LEU   7          HD22      LEU   6  26.461   4.039   2.871
   51   HD23  LEU   7          HD23      LEU   6  25.324   5.074   3.734
   52    H    ALA   8           HN       ALA   7  22.855   0.333   1.724
   53    HA   ALA   8           HA       ALA   7  21.651  -0.359   4.161
   54    HB1  ALA   8           HB1      ALA   7  20.257  -0.847   2.431
   55    HB2  ALA   8           HB2      ALA   7  20.947  -2.451   2.681
   56    HB3  ALA   8           HB3      ALA   7  21.562  -1.417   1.391
   57    H    ASP   9           HN       ASP   8  24.357  -1.801   2.421
   58    HA   ASP   9           HA       ASP   8  24.485  -4.164   4.025
   59    HB2  ASP   9           HB2      ASP   8  26.774  -3.014   2.428
   60    HB3  ASP   9           HB1      ASP   8  26.483  -4.694   2.854
   61    H    DAL  10           HN       DAL   9  25.428  -0.928   4.591
   62    HA   DAL  10           HA       DAL   9  27.295  -1.769   6.708
   63    HB1  DAL  10           HB1      DAL   9  25.149   0.334   6.963
   64    HB2  DAL  10           HB2      DAL   9  26.319  -0.114   8.204
   65    HB3  DAL  10           HB3      DAL   9  25.104  -1.277   7.677
   66    H    GLY  11           HN       GLY  10  27.449  -0.383   3.899
   67    HA2  GLY  11           HA2      GLY  10  28.656   1.302   2.912
   68    HA3  GLY  11           HA1      GLY  10  28.428   2.240   4.379
   69    HA   PRO  12           HA       PRO  11  32.919   1.748   4.506
   70    HB2  PRO  12           HB2      PRO  11  32.608   3.284   7.014
   71    HB3  PRO  12           HB1      PRO  11  33.591   3.639   5.591
   72    HG2  PRO  12           HG2      PRO  11  31.370   5.032   6.133
   73    HG3  PRO  12           HG1      PRO  11  31.843   4.647   4.467
   74    HD2  PRO  12           HD2      PRO  11  29.760   3.365   6.193
   75    HD3  PRO  12           HD1      PRO  11  29.706   3.757   4.461
   76    H    ALA  13           HN       ALA  12  30.606   1.008   7.044
   77    HA   ALA  13           HA       ALA  12  32.400  -0.231   8.852
   78    HB1  ALA  13           HB1      ALA  12  30.374   0.388   9.802
   79    HB2  ALA  13           HB2      ALA  12  30.230  -1.364   9.665
   80    HB3  ALA  13           HB3      ALA  12  29.428  -0.320   8.492
   81    H    SER  14           HN       SER  13  30.499  -1.473   6.128
   82    HA   SER  14           HA       SER  13  31.021  -4.216   6.623
   83    HB2  SER  14           HB2      SER  13  30.160  -4.618   4.393
   84    HB3  SER  14           HB1      SER  13  29.167  -3.391   5.180
   85    HG   SER  14           HG       SER  13  29.563  -2.350   3.383
   86    H    DAL  15           HN       DAL  14  32.870  -1.692   5.092
   87    HA   DAL  15           HA       DAL  14  35.153  -3.451   4.881
   88    HB1  DAL  15           HB1      DAL  14  34.822  -0.513   4.291
   89    HB2  DAL  15           HB2      DAL  14  36.349  -1.386   4.171
   90    HB3  DAL  15           HB3      DAL  14  35.537  -1.240   5.730
   91    H    NVA  16           HN       NVA  15  32.997  -1.719   2.673
   92    HA   NVA  16           HA       NVA  15  34.286  -3.088   0.407
   93    HB2  NVA  16           HB1      NVA  15  31.353  -2.769   1.023
   94    HB3  NVA  16           HB2      NVA  15  32.256  -4.261   0.813
   95    HG2  NVA  16           HG1      NVA  15  32.645  -3.477  -1.592
   96    HG3  NVA  16           HG2      NVA  15  31.357  -2.310  -1.275
   97    HD1  NVA  16           HD1      NVA  15  29.810  -4.087  -0.778
   98    HD2  NVA  16           HD2      NVA  15  31.090  -5.290  -0.929
   99    HD3  NVA  16           HD3      NVA  15  30.554  -4.391  -2.347
  100    HA   PRO  17           HA       PRO  16  34.918   1.151  -0.991
  101    HB2  PRO  17           HB2      PRO  16  35.072  -0.311  -3.590
  102    HB3  PRO  17           HB1      PRO  16  36.159   0.911  -2.921
  103    HG2  PRO  17           HG2      PRO  16  36.820  -1.674  -2.903
  104    HG3  PRO  17           HG1      PRO  16  37.238  -0.607  -1.550
  105    HD2  PRO  17           HD2      PRO  16  35.146  -2.713  -1.723
  106    HD3  PRO  17           HD1      PRO  16  36.079  -2.150  -0.323
  107    HA   PRO  18           HA       PRO  17  30.555   1.833  -2.040
  108    HB2  PRO  18           HB2      PRO  17  31.001   4.544  -2.537
  109    HB3  PRO  18           HB1      PRO  17  30.540   3.846  -0.982
  110    HG2  PRO  18           HG2      PRO  17  33.246   4.602  -1.996
  111    HG3  PRO  18           HG1      PRO  17  32.562   4.799  -0.372
  112    HD2  PRO  18           HD2      PRO  17  34.297   2.849  -0.873
  113    HD3  PRO  18           HD1      PRO  17  32.883   2.546   0.166
  114    HA   PRO  19           HA       PRO  18  31.035   1.671  -6.479
  115    HB2  PRO  19           HB2      PRO  18  28.417   1.578  -7.141
  116    HB3  PRO  19           HB1      PRO  18  29.266   0.198  -6.438
  117    HG2  PRO  19           HG2      PRO  18  27.456   2.179  -5.122
  118    HG3  PRO  19           HG1      PRO  18  27.547   0.424  -4.897
  119    HD2  PRO  19           HD2      PRO  18  28.671   2.226  -3.185
  120    HD3  PRO  19           HD1      PRO  18  29.292   0.582  -3.421
  121    H    SER  20           HN       SER  19  31.714   3.463  -7.475
  122    HA   SER  20           HA       SER  19  29.830   5.707  -7.753
  123    HB2  SER  20           HB2      SER  19  32.763   5.817  -7.051
  124    HB3  SER  20           HB1      SER  19  31.914   7.201  -7.741
  125    HG   SER  20           HG       SER  19  31.909   7.261  -5.460
  126    HN1  NH2  21           H2       SER  19  32.958   4.542  -9.022
  127    HN2  NH2  21           H1       SER  19  32.573   4.813 -10.684
  Start of MODEL   17
    1    H1   ACE   1           HA2      ALA   1  19.945   2.265  -6.644
    2    H2   ACE   1           HA3      ALA   1  19.355   0.762  -7.347
    3    H3   ACE   1           HA1      ALA   1  19.905   2.095  -8.398
    4    H    ALA   2           HN       ALA   1  21.978   2.353  -6.014
    5    HA   ALA   2           HA       ALA   1  23.708   0.101  -6.403
    6    HB1  ALA   2           HB2      ALA   1  25.573   1.521  -7.397
    7    HB2  ALA   2           HB3      ALA   1  24.317   2.686  -7.816
    8    HB3  ALA   2           HB1      ALA   1  24.265   1.054  -8.483
    9    H    TYR   3           HN       TYR   2  24.106   3.602  -5.737
   10    HA   TYR   3           HA       TYR   2  25.948   3.236  -3.636
   11    HB2  TYR   3           HB2      TYR   2  25.581   5.361  -4.943
   12    HB3  TYR   3           HB1      TYR   2  24.114   5.613  -4.003
   13    HD1  TYR   3           HD1      TYR   2  27.766   5.682  -3.957
   14    HD2  TYR   3           HD2      TYR   2  24.239   6.181  -1.628
   15    HE1  TYR   3           HE1      TYR   2  29.086   6.792  -2.205
   16    HE2  TYR   3           HE2      TYR   2  25.552   7.294   0.128
   17    HH   TYR   3           HH       TYR   2  28.162   8.675  -0.119
   18    H    ALA   4           HN       ALA   3  22.422   3.633  -3.642
   19    HA   ALA   4           HA       ALA   3  22.051   3.841  -0.866
   20    HB1  ALA   4           HB1      ALA   3  20.258   4.411  -2.340
   21    HB2  ALA   4           HB2      ALA   3  19.727   3.059  -1.341
   22    HB3  ALA   4           HB3      ALA   3  20.218   2.780  -3.011
   23    H    GLN   5           HN       GLN   4  22.249   1.016  -2.999
   24    HA   GLN   5           HA       GLN   4  21.603  -0.939  -1.062
   25    HB2  GLN   5           HB2      GLN   4  21.849  -1.084  -3.685
   26    HB3  GLN   5           HB1      GLN   4  23.502  -1.535  -3.298
   27    HG2  GLN   5           HG2      GLN   4  21.716  -3.039  -1.659
   28    HG3  GLN   5           HG1      GLN   4  21.211  -3.166  -3.343
   29   HE21  GLN   5          HE21      GLN   4  23.241  -4.388  -0.998
   30   HE22  GLN   5          HE22      GLN   4  24.335  -5.254  -2.016
   31    H    TRP   6           HN       TRP   5  24.630   0.585  -2.030
   32    HA   TRP   6           HA       TRP   5  26.457  -1.033  -0.683
   33    HB2  TRP   6           HB2      TRP   5  27.263   0.599  -2.237
   34    HB3  TRP   6           HB1      TRP   5  26.505   1.913  -1.350
   35    HD1  TRP   6           HD1      TRP   5  29.331  -0.690  -0.768
   36    HE1  TRP   6           HE1      TRP   5  31.150   0.434   0.661
   37    HE3  TRP   6           HE3      TRP   5  27.072   3.827   0.025
   38    HZ2  TRP   6           HZ2      TRP   5  31.574   2.900   1.955
   39    HZ3  TRP   6           HZ3      TRP   5  28.255   5.514   1.372
   40    HH2  TRP   6           HH2      TRP   5  30.459   5.057   2.316
   41    H    LEU   7           HN       LEU   6  24.629   1.792   0.460
   42    HA   LEU   7           HA       LEU   6  25.764   1.917   3.043
   43    HB2  LEU   7           HB2      LEU   6  23.111   2.860   1.963
   44    HB3  LEU   7           HB1      LEU   6  23.632   3.167   3.609
   45    HG   LEU   7           HG       LEU   6  25.106   4.105   1.148
   46   HD11  LEU   7          HD11      LEU   6  24.245   6.359   2.285
   47   HD12  LEU   7          HD12      LEU   6  22.920   5.291   2.748
   48   HD13  LEU   7          HD13      LEU   6  23.328   5.502   1.045
   49   HD21  LEU   7          HD21      LEU   6  25.473   4.725   4.078
   50   HD22  LEU   7          HD22      LEU   6  26.322   5.524   2.754
   51   HD23  LEU   7          HD23      LEU   6  26.575   3.805   3.053
   52    H    ALA   8           HN       ALA   7  23.019   0.131   1.724
   53    HA   ALA   8           HA       ALA   7  21.878  -0.756   4.125
   54    HB1  ALA   8           HB1      ALA   7  20.422  -1.331   2.529
   55    HB2  ALA   8           HB2      ALA   7  21.376  -2.807   2.381
   56    HB3  ALA   8           HB3      ALA   7  21.677  -1.451   1.296
   57    H    ASP   9           HN       ASP   8  24.587  -2.023   2.245
   58    HA   ASP   9           HA       ASP   8  24.817  -4.460   3.720
   59    HB2  ASP   9           HB2      ASP   8  27.001  -3.127   2.108
   60    HB3  ASP   9           HB1      ASP   8  26.853  -4.833   2.513
   61    H    DAL  10           HN       DAL   9  25.658  -1.233   4.447
   62    HA   DAL  10           HA       DAL   9  27.571  -2.124   6.501
   63    HB1  DAL  10           HB1      DAL   9  26.569  -0.710   8.124
   64    HB2  DAL  10           HB2      DAL   9  25.272  -1.651   7.386
   65    HB3  DAL  10           HB3      DAL   9  25.516   0.033   6.920
   66    H    GLY  11           HN       GLY  10  27.680  -0.621   3.749
   67    HA2  GLY  11           HA2      GLY  10  28.867   1.112   2.822
   68    HA3  GLY  11           HA1      GLY  10  28.615   1.996   4.319
   69    HA   PRO  12           HA       PRO  11  33.118   1.573   4.399
   70    HB2  PRO  12           HB2      PRO  11  32.809   3.149   6.881
   71    HB3  PRO  12           HB1      PRO  11  33.771   3.493   5.439
   72    HG2  PRO  12           HG2      PRO  11  31.536   4.864   5.984
   73    HG3  PRO  12           HG1      PRO  11  31.993   4.457   4.319
   74    HD2  PRO  12           HD2      PRO  11  29.954   3.170   6.094
   75    HD3  PRO  12           HD1      PRO  11  29.869   3.539   4.359
   76    H    ALA  13           HN       ALA  12  30.836   0.843   6.971
   77    HA   ALA  13           HA       ALA  12  32.681  -0.329   8.776
   78    HB1  ALA  13           HB1      ALA  12  30.507  -1.459   9.643
   79    HB2  ALA  13           HB2      ALA  12  29.707  -0.373   8.506
   80    HB3  ALA  13           HB3      ALA  12  30.709   0.286   9.797
   81    H    SER  14           HN       SER  13  30.683  -1.680   6.171
   82    HA   SER  14           HA       SER  13  31.263  -4.397   6.750
   83    HB2  SER  14           HB2      SER  13  30.395  -4.843   4.466
   84    HB3  SER  14           HB1      SER  13  29.325  -3.809   5.409
   85    HG   SER  14           HG       SER  13  30.926  -3.181   3.203
   86    H    DAL  15           HN       DAL  14  33.015  -1.920   5.046
   87    HA   DAL  15           HA       DAL  14  35.255  -3.736   4.699
   88    HB1  DAL  15           HB1      DAL  14  35.022  -0.768   4.207
   89    HB2  DAL  15           HB2      DAL  14  36.509  -1.707   4.082
   90    HB3  DAL  15           HB3      DAL  14  35.696  -1.546   5.639
   91    H    NVA  16           HN       NVA  15  33.052  -1.821   2.703
   92    HA   NVA  16           HA       NVA  15  34.167  -3.114   0.304
   93    HB2  NVA  16           HB1      NVA  15  31.255  -2.609   0.956
   94    HB3  NVA  16           HB2      NVA  15  32.050  -4.174   0.899
   95    HG2  NVA  16           HG1      NVA  15  32.154  -2.519  -1.557
   96    HG3  NVA  16           HG2      NVA  15  30.603  -3.240  -1.117
   97    HD1  NVA  16           HD1      NVA  15  31.700  -4.769  -2.562
   98    HD2  NVA  16           HD2      NVA  15  31.799  -5.441  -0.934
   99    HD3  NVA  16           HD3      NVA  15  33.205  -4.651  -1.649
  100    HA   PRO  17           HA       PRO  16  34.597   1.059  -1.142
  101    HB2  PRO  17           HB2      PRO  16  34.935   0.543  -3.793
  102    HB3  PRO  17           HB1      PRO  16  36.199   0.287  -2.586
  103    HG2  PRO  17           HG2      PRO  16  34.340  -1.696  -3.834
  104    HG3  PRO  17           HG1      PRO  16  36.071  -1.851  -3.481
  105    HD2  PRO  17           HD2      PRO  16  34.154  -2.939  -1.906
  106    HD3  PRO  17           HD1      PRO  16  35.701  -2.353  -1.263
  107    HA   PRO  18           HA       PRO  17  30.309   1.972  -2.167
  108    HB2  PRO  18           HB2      PRO  17  30.786   4.662  -2.617
  109    HB3  PRO  18           HB1      PRO  17  30.439   3.949  -1.040
  110    HG2  PRO  18           HG2      PRO  17  33.071   4.670  -2.258
  111    HG3  PRO  18           HG1      PRO  17  32.513   4.878  -0.587
  112    HD2  PRO  18           HD2      PRO  17  34.170   2.890  -1.251
  113    HD3  PRO  18           HD1      PRO  17  32.876   2.643  -0.058
  114    HA   PRO  19           HA       PRO  18  30.663   1.960  -6.613
  115    HB2  PRO  19           HB2      PRO  18  28.048   1.892  -7.222
  116    HB3  PRO  19           HB1      PRO  18  28.869   0.506  -6.493
  117    HG2  PRO  19           HG2      PRO  18  27.109   2.554  -5.213
  118    HG3  PRO  19           HG1      PRO  18  27.173   0.805  -4.941
  119    HD2  PRO  19           HD2      PRO  18  28.369   2.681  -3.316
  120    HD3  PRO  19           HD1      PRO  18  28.883   0.988  -3.438
  121    H    SER  20           HN       SER  19  31.578   4.144  -6.613
  122    HA   SER  20           HA       SER  19  29.690   6.078  -7.748
  123    HB2  SER  20           HB2      SER  19  31.688   6.694  -5.556
  124    HB3  SER  20           HB1      SER  19  30.792   7.913  -6.463
  125    HG   SER  20           HG       SER  19  29.665   7.504  -4.593
  126    HN1  NH2  21           H2       SER  19  31.006   4.801  -9.511
  127    HN2  NH2  21           H1       SER  19  32.418   5.615 -10.083
  Start of MODEL   18
    1    H1   ACE   1           HA2      ALA   1  19.648  -0.291  -7.401
    2    H2   ACE   1           HA3      ALA   1  20.158   1.226  -8.154
    3    H3   ACE   1           HA1      ALA   1  19.992   1.126  -6.397
    4    H    ALA   2           HN       ALA   1  22.211   1.925  -6.388
    5    HA   ALA   2           HA       ALA   1  24.097  -0.311  -6.445
    6    HB1  ALA   2           HB2      ALA   1  24.414   2.248  -7.976
    7    HB2  ALA   2           HB3      ALA   1  24.625   0.588  -8.531
    8    HB3  ALA   2           HB1      ALA   1  25.815   1.313  -7.451
    9    H    TYR   3           HN       TYR   2  24.270   3.231  -5.935
   10    HA   TYR   3           HA       TYR   2  26.042   3.023  -3.746
   11    HB2  TYR   3           HB2      TYR   2  25.723   5.055  -5.202
   12    HB3  TYR   3           HB1      TYR   2  24.210   5.351  -4.350
   13    HD1  TYR   3           HD1      TYR   2  27.844   5.521  -4.175
   14    HD2  TYR   3           HD2      TYR   2  24.232   6.000  -1.975
   15    HE1  TYR   3           HE1      TYR   2  29.071   6.753  -2.436
   16    HE2  TYR   3           HE2      TYR   2  25.454   7.231  -0.231
   17    HH   TYR   3           HH       TYR   2  27.989   8.694  -0.442
   18    H    ALA   4           HN       ALA   3  22.521   3.371  -3.943
   19    HA   ALA   4           HA       ALA   3  22.004   3.775  -1.217
   20    HB1  ALA   4           HB1      ALA   3  19.723   2.975  -1.730
   21    HB2  ALA   4           HB2      ALA   3  20.287   2.465  -3.321
   22    HB3  ALA   4           HB3      ALA   3  20.307   4.173  -2.884
   23    H    GLN   5           HN       GLN   4  22.343   0.791  -3.106
   24    HA   GLN   5           HA       GLN   4  21.646  -0.994  -1.022
   25    HB2  GLN   5           HB2      GLN   4  22.202  -1.249  -3.705
   26    HB3  GLN   5           HB1      GLN   4  23.598  -2.014  -2.960
   27    HG2  GLN   5           HG2      GLN   4  20.882  -2.751  -1.998
   28    HG3  GLN   5           HG1      GLN   4  21.442  -3.383  -3.546
   29   HE21  GLN   5          HE21      GLN   4  22.907  -5.009  -3.580
   30   HE22  GLN   5          HE22      GLN   4  23.569  -5.749  -2.165
   31    H    TRP   6           HN       TRP   5  24.697   0.446  -2.052
   32    HA   TRP   6           HA       TRP   5  26.501  -1.047  -0.554
   33    HB2  TRP   6           HB2      TRP   5  27.321   0.509  -2.181
   34    HB3  TRP   6           HB1      TRP   5  26.535   1.862  -1.378
   35    HD1  TRP   6           HD1      TRP   5  29.389  -0.669  -0.642
   36    HE1  TRP   6           HE1      TRP   5  31.163   0.536   0.775
   37    HE3  TRP   6           HE3      TRP   5  27.041   3.834  -0.050
   38    HZ2  TRP   6           HZ2      TRP   5  31.525   3.055   1.984
   39    HZ3  TRP   6           HZ3      TRP   5  28.173   5.590   1.252
   40    HH2  TRP   6           HH2      TRP   5  30.370   5.204   2.247
   41    H    LEU   7           HN       LEU   6  24.586   1.791   0.394
   42    HA   LEU   7           HA       LEU   6  25.668   2.064   2.994
   43    HB2  LEU   7           HB2      LEU   6  23.040   2.928   1.800
   44    HB3  LEU   7           HB1      LEU   6  23.499   3.305   3.448
   45    HG   LEU   7           HG       LEU   6  25.039   4.168   1.000
   46   HD11  LEU   7          HD11      LEU   6  23.219   5.519   0.821
   47   HD12  LEU   7          HD12      LEU   6  24.145   6.454   1.994
   48   HD13  LEU   7          HD13      LEU   6  22.830   5.413   2.538
   49   HD21  LEU   7          HD21      LEU   6  26.455   3.936   2.961
   50   HD22  LEU   7          HD22      LEU   6  25.327   4.899   3.913
   51   HD23  LEU   7          HD23      LEU   6  26.213   5.640   2.582
   52    H    ALA   8           HN       ALA   7  22.954   0.213   1.697
   53    HA   ALA   8           HA       ALA   7  21.778  -0.597   4.108
   54    HB1  ALA   8           HB1      ALA   7  20.519  -2.077   2.857
   55    HB2  ALA   8           HB2      ALA   7  21.835  -2.409   1.729
   56    HB3  ALA   8           HB3      ALA   7  20.973  -0.872   1.652
   57    H    ASP   9           HN       ASP   8  24.519  -1.920   2.308
   58    HA   ASP   9           HA       ASP   8  24.754  -4.296   3.870
   59    HB2  ASP   9           HB2      ASP   8  26.873  -2.947   2.182
   60    HB3  ASP   9           HB1      ASP   8  26.893  -4.612   2.751
   61    H    DAL  10           HN       DAL   9  25.553  -1.038   4.509
   62    HA   DAL  10           HA       DAL   9  27.428  -1.844   6.632
   63    HB1  DAL  10           HB1      DAL   9  25.110  -1.351   7.449
   64    HB2  DAL  10           HB2      DAL   9  25.357   0.316   6.928
   65    HB3  DAL  10           HB3      DAL   9  26.387  -0.379   8.180
   66    H    GLY  11           HN       GLY  10  27.576  -0.430   3.829
   67    HA2  GLY  11           HA2      GLY  10  28.775   1.277   2.868
   68    HA3  GLY  11           HA1      GLY  10  28.499   2.205   4.334
   69    HA   PRO  12           HA       PRO  11  32.998   1.801   4.504
   70    HB2  PRO  12           HB2      PRO  11  32.637   3.425   6.950
   71    HB3  PRO  12           HB1      PRO  11  33.627   3.743   5.521
   72    HG2  PRO  12           HG2      PRO  11  31.378   5.116   5.990
   73    HG3  PRO  12           HG1      PRO  11  31.869   4.675   4.343
   74    HD2  PRO  12           HD2      PRO  11  29.798   3.420   6.107
   75    HD3  PRO  12           HD1      PRO  11  29.746   3.750   4.363
   76    H    ALA  13           HN       ALA  12  30.681   1.121   7.063
   77    HA   ALA  13           HA       ALA  12  32.508  -0.016   8.911
   78    HB1  ALA  13           HB1      ALA  12  29.536  -0.064   8.610
   79    HB2  ALA  13           HB2      ALA  12  30.526   0.617   9.901
   80    HB3  ALA  13           HB3      ALA  12  30.323  -1.130   9.775
   81    H    SER  14           HN       SER  13  30.530  -1.419   6.313
   82    HA   SER  14           HA       SER  13  31.061  -4.122   6.941
   83    HB2  SER  14           HB2      SER  13  30.250  -4.621   4.678
   84    HB3  SER  14           HB1      SER  13  29.201  -3.457   5.482
   85    HG   SER  14           HG       SER  13  29.805  -1.938   4.113
   86    H    DAL  15           HN       DAL  14  32.923  -1.711   5.251
   87    HA   DAL  15           HA       DAL  14  35.141  -3.583   5.039
   88    HB1  DAL  15           HB1      DAL  14  35.530  -1.354   5.990
   89    HB2  DAL  15           HB2      DAL  14  35.056  -0.623   4.457
   90    HB3  DAL  15           HB3      DAL  14  36.502  -1.629   4.544
   91    H    NVA  16           HN       NVA  15  33.032  -1.678   2.953
   92    HA   NVA  16           HA       NVA  15  34.258  -2.947   0.594
   93    HB2  NVA  16           HB1      NVA  15  31.311  -2.517   1.130
   94    HB3  NVA  16           HB2      NVA  15  32.148  -4.063   1.136
   95    HG2  NVA  16           HG1      NVA  15  32.302  -2.435  -1.340
   96    HG3  NVA  16           HG2      NVA  15  30.766  -3.218  -0.956
   97    HD1  NVA  16           HD1      NVA  15  32.269  -5.319  -0.579
   98    HD2  NVA  16           HD2      NVA  15  33.408  -4.439  -1.597
   99    HD3  NVA  16           HD3      NVA  15  31.803  -4.839  -2.211
  100    HA   PRO  17           HA       PRO  16  34.571   1.250  -0.824
  101    HB2  PRO  17           HB2      PRO  16  35.121   0.759  -3.438
  102    HB3  PRO  17           HB1      PRO  16  36.308   0.544  -2.147
  103    HG2  PRO  17           HG2      PRO  16  34.625  -1.502  -3.534
  104    HG3  PRO  17           HG1      PRO  16  36.330  -1.591  -3.056
  105    HD2  PRO  17           HD2      PRO  16  34.332  -2.758  -1.633
  106    HD3  PRO  17           HD1      PRO  16  35.822  -2.146  -0.885
  107    HA   PRO  18           HA       PRO  17  30.343   2.001  -2.144
  108    HB2  PRO  18           HB2      PRO  17  30.800   4.666  -2.772
  109    HB3  PRO  18           HB1      PRO  17  30.363   4.062  -1.172
  110    HG2  PRO  18           HG2      PRO  17  33.052   4.762  -2.268
  111    HG3  PRO  18           HG1      PRO  17  32.387   5.051  -0.648
  112    HD2  PRO  18           HD2      PRO  17  34.125   3.070  -1.095
  113    HD3  PRO  18           HD1      PRO  17  32.768   2.862   0.035
  114    HA   PRO  19           HA       PRO  18  30.911   1.554  -6.548
  115    HB2  PRO  19           HB2      PRO  18  28.309   1.613  -7.290
  116    HB3  PRO  19           HB1      PRO  18  29.042   0.215  -6.496
  117    HG2  PRO  19           HG2      PRO  18  27.348   2.384  -5.326
  118    HG3  PRO  19           HG1      PRO  18  27.299   0.638  -5.022
  119    HD2  PRO  19           HD2      PRO  18  28.506   2.406  -3.345
  120    HD3  PRO  19           HD1      PRO  18  29.038   0.725  -3.524
  121    H    SER  20           HN       SER  19  31.727   3.216  -7.658
  122    HA   SER  20           HA       SER  19  30.013   5.552  -8.155
  123    HB2  SER  20           HB2      SER  19  32.965   5.670  -7.492
  124    HB3  SER  20           HB1      SER  19  31.956   7.044  -7.939
  125    HG   SER  20           HG       SER  19  32.032   5.581  -5.563
  126    HN1  NH2  21           H2       SER  19  29.989   6.251 -10.221
  127    HN2  NH2  21           H1       SER  19  30.981   5.626 -11.489
  Start of MODEL   19
    1    H1   ACE   1           HA2      ALA   1  20.195   1.343  -6.640
    2    H2   ACE   1           HA3      ALA   1  19.736  -0.276  -7.160
    3    H3   ACE   1           HA1      ALA   1  20.162   0.973  -8.361
    4    H    ALA   2           HN       ALA   1  22.241   1.749  -6.151
    5    HA   ALA   2           HA       ALA   1  24.160  -0.405  -6.339
    6    HB1  ALA   2           HB2      ALA   1  24.491   2.127  -7.917
    7    HB2  ALA   2           HB3      ALA   1  24.650   0.457  -8.461
    8    HB3  ALA   2           HB1      ALA   1  25.876   1.162  -7.408
    9    H    TYR   3           HN       TYR   2  24.290   3.148  -5.905
   10    HA   TYR   3           HA       TYR   2  26.094   3.007  -3.725
   11    HB2  TYR   3           HB2      TYR   2  25.734   4.993  -5.252
   12    HB3  TYR   3           HB1      TYR   2  24.248   5.313  -4.363
   13    HD1  TYR   3           HD1      TYR   2  27.882   5.499  -4.306
   14    HD2  TYR   3           HD2      TYR   2  24.341   6.020  -2.003
   15    HE1  TYR   3           HE1      TYR   2  29.160   6.782  -2.642
   16    HE2  TYR   3           HE2      TYR   2  25.612   7.303  -0.332
   17    HH   TYR   3           HH       TYR   2  28.793   7.256  -0.003
   18    H    ALA   4           HN       ALA   3  22.570   3.384  -3.917
   19    HA   ALA   4           HA       ALA   3  22.078   3.818  -1.187
   20    HB1  ALA   4           HB1      ALA   3  19.778   3.021  -1.690
   21    HB2  ALA   4           HB2      ALA   3  20.334   2.554  -3.297
   22    HB3  ALA   4           HB3      ALA   3  20.364   4.249  -2.811
   23    H    GLN   5           HN       GLN   4  22.346   0.819  -3.067
   24    HA   GLN   5           HA       GLN   4  21.632  -0.953  -0.983
   25    HB2  GLN   5           HB2      GLN   4  21.699  -1.559  -3.404
   26    HB3  GLN   5           HB1      GLN   4  23.455  -1.500  -3.336
   27    HG2  GLN   5           HG2      GLN   4  22.948  -3.760  -3.149
   28    HG3  GLN   5           HG1      GLN   4  23.271  -3.255  -1.493
   29   HE21  GLN   5          HE21      GLN   4  21.883  -5.560  -2.019
   30   HE22  GLN   5          HE22      GLN   4  20.234  -5.368  -1.544
   31    H    TRP   6           HN       TRP   5  24.711   0.433  -2.021
   32    HA   TRP   6           HA       TRP   5  26.480  -1.063  -0.487
   33    HB2  TRP   6           HB2      TRP   5  27.340   0.451  -2.134
   34    HB3  TRP   6           HB1      TRP   5  26.573   1.829  -1.359
   35    HD1  TRP   6           HD1      TRP   5  29.347  -0.759  -0.517
   36    HE1  TRP   6           HE1      TRP   5  31.134   0.436   0.893
   37    HE3  TRP   6           HE3      TRP   5  27.126   3.828  -0.108
   38    HZ2  TRP   6           HZ2      TRP   5  31.554   2.985   2.025
   39    HZ3  TRP   6           HZ3      TRP   5  28.291   5.591   1.156
   40    HH2  TRP   6           HH2      TRP   5  30.457   5.175   2.200
   41    H    LEU   7           HN       LEU   6  24.626   1.839   0.393
   42    HA   LEU   7           HA       LEU   6  25.692   2.135   2.996
   43    HB2  LEU   7           HB2      LEU   6  23.094   3.038   1.766
   44    HB3  LEU   7           HB1      LEU   6  23.556   3.442   3.408
   45    HG   LEU   7           HG       LEU   6  25.128   4.207   0.945
   46   HD11  LEU   7          HD11      LEU   6  24.287   6.539   1.877
   47   HD12  LEU   7          HD12      LEU   6  22.945   5.545   2.444
   48   HD13  LEU   7          HD13      LEU   6  23.339   5.597   0.727
   49   HD21  LEU   7          HD21      LEU   6  26.549   4.003   2.886
   50   HD22  LEU   7          HD22      LEU   6  25.427   4.963   3.851
   51   HD23  LEU   7          HD23      LEU   6  26.306   5.711   2.518
   52    H    ALA   8           HN       ALA   7  22.911   0.355   1.725
   53    HA   ALA   8           HA       ALA   7  21.738  -0.388   4.163
   54    HB1  ALA   8           HB1      ALA   7  20.380  -0.755   2.331
   55    HB2  ALA   8           HB2      ALA   7  20.905  -2.390   2.730
   56    HB3  ALA   8           HB3      ALA   7  21.664  -1.521   1.397
   57    H    ASP   9           HN       ASP   8  24.420  -1.794   2.355
   58    HA   ASP   9           HA       ASP   8  24.570  -4.188   3.908
   59    HB2  ASP   9           HB2      ASP   8  26.830  -2.992   2.301
   60    HB3  ASP   9           HB1      ASP   8  26.574  -4.681   2.718
   61    H    DAL  10           HN       DAL   9  25.513  -0.961   4.524
   62    HA   DAL  10           HA       DAL   9  27.394  -1.833   6.615
   63    HB1  DAL  10           HB1      DAL   9  26.351  -0.594   8.254
   64    HB2  DAL  10           HB2      DAL   9  24.976  -1.196   7.328
   65    HB3  DAL  10           HB3      DAL   9  25.541   0.459   7.094
   66    H    GLY  11           HN       GLY  10  27.536  -0.402   3.831
   67    HA2  GLY  11           HA2      GLY  10  28.724   1.315   2.870
   68    HA3  GLY  11           HA1      GLY  10  28.508   2.218   4.360
   69    HA   PRO  12           HA       PRO  11  33.004   1.713   4.390
   70    HB2  PRO  12           HB2      PRO  11  32.749   3.303   6.871
   71    HB3  PRO  12           HB1      PRO  11  33.704   3.623   5.421
   72    HG2  PRO  12           HG2      PRO  11  31.502   5.039   5.977
   73    HG3  PRO  12           HG1      PRO  11  31.937   4.615   4.311
   74    HD2  PRO  12           HD2      PRO  11  29.888   3.377   6.111
   75    HD3  PRO  12           HD1      PRO  11  29.794   3.738   4.375
   76    H    ALA  13           HN       ALA  12  30.736   1.036   6.989
   77    HA   ALA  13           HA       ALA  12  32.582  -0.188   8.766
   78    HB1  ALA  13           HB1      ALA  12  30.635   0.509   9.805
   79    HB2  ALA  13           HB2      ALA  12  30.405  -1.236   9.693
   80    HB3  ALA  13           HB3      ALA  12  29.599  -0.165   8.547
   81    H    SER  14           HN       SER  13  30.506  -1.454   6.179
   82    HA   SER  14           HA       SER  13  30.899  -4.191   6.722
   83    HB2  SER  14           HB2      SER  13  30.075  -4.595   4.463
   84    HB3  SER  14           HB1      SER  13  29.114  -3.337   5.235
   85    HG   SER  14           HG       SER  13  30.898  -3.168   3.103
   86    H    DAL  15           HN       DAL  14  32.893  -1.841   5.078
   87    HA   DAL  15           HA       DAL  14  35.033  -3.806   4.887
   88    HB1  DAL  15           HB1      DAL  14  35.070  -0.834   4.365
   89    HB2  DAL  15           HB2      DAL  14  36.478  -1.895   4.415
   90    HB3  DAL  15           HB3      DAL  14  35.525  -1.626   5.874
   91    H    NVA  16           HN       NVA  15  33.037  -1.792   2.790
   92    HA   NVA  16           HA       NVA  15  34.282  -3.041   0.434
   93    HB2  NVA  16           HB1      NVA  15  31.328  -2.649   0.962
   94    HB3  NVA  16           HB2      NVA  15  32.179  -4.185   0.889
   95    HG2  NVA  16           HG1      NVA  15  32.767  -3.108  -1.551
   96    HG3  NVA  16           HG2      NVA  15  31.127  -2.515  -1.266
   97    HD1  NVA  16           HD1      NVA  15  32.096  -5.248  -1.759
   98    HD2  NVA  16           HD2      NVA  15  30.549  -4.500  -2.157
   99    HD3  NVA  16           HD3      NVA  15  30.850  -5.091  -0.521
  100    HA   PRO  17           HA       PRO  16  34.615   1.197  -0.878
  101    HB2  PRO  17           HB2      PRO  16  35.194   0.762  -3.500
  102    HB3  PRO  17           HB1      PRO  16  36.371   0.543  -2.200
  103    HG2  PRO  17           HG2      PRO  16  34.720  -1.505  -3.626
  104    HG3  PRO  17           HG1      PRO  16  36.427  -1.575  -3.152
  105    HD2  PRO  17           HD2      PRO  16  34.477  -2.805  -1.741
  106    HD3  PRO  17           HD1      PRO  16  35.931  -2.138  -0.974
  107    HA   PRO  18           HA       PRO  17  30.378   1.936  -2.175
  108    HB2  PRO  18           HB2      PRO  17  30.842   4.615  -2.788
  109    HB3  PRO  18           HB1      PRO  17  30.362   3.992  -1.208
  110    HG2  PRO  18           HG2      PRO  17  33.074   4.720  -2.217
  111    HG3  PRO  18           HG1      PRO  17  32.370   4.959  -0.607
  112    HD2  PRO  18           HD2      PRO  17  34.133   3.004  -1.068
  113    HD3  PRO  18           HD1      PRO  17  32.753   2.755   0.024
  114    HA   PRO  19           HA       PRO  18  30.933   1.597  -6.590
  115    HB2  PRO  19           HB2      PRO  18  28.340   1.448  -7.304
  116    HB3  PRO  19           HB1      PRO  18  29.166   0.119  -6.483
  117    HG2  PRO  19           HG2      PRO  18  27.315   2.181  -5.363
  118    HG3  PRO  19           HG1      PRO  18  27.407   0.447  -5.009
  119    HD2  PRO  19           HD2      PRO  18  28.486   2.401  -3.416
  120    HD3  PRO  19           HD1      PRO  18  29.078   0.731  -3.474
  121    H    SER  20           HN       SER  19  31.811   3.645  -7.039
  122    HA   SER  20           HA       SER  19  29.926   5.503  -8.257
  123    HB2  SER  20           HB2      SER  19  31.884   6.320  -6.097
  124    HB3  SER  20           HB1      SER  19  31.036   7.458  -7.144
  125    HG   SER  20           HG       SER  19  29.148   6.951  -6.190
  126    HN1  NH2  21           H2       SER  19  30.710   5.257 -10.279
  127    HN2  NH2  21           H1       SER  19  32.343   5.564 -10.750
  Start of MODEL   20
    1    H1   ACE   1           HA2      ALA   1  19.455   1.129  -7.037
    2    H2   ACE   1           HA3      ALA   1  20.337   2.651  -7.238
    3    H3   ACE   1           HA1      ALA   1  19.582   2.264  -5.685
    4    H    ALA   2           HN       ALA   1  22.378   2.014  -7.609
    5    HA   ALA   2           HA       ALA   1  23.604  -0.232  -6.381
    6    HB1  ALA   2           HB2      ALA   1  25.708   1.280  -7.232
    7    HB2  ALA   2           HB3      ALA   1  24.400   1.874  -8.255
    8    HB3  ALA   2           HB1      ALA   1  24.796   0.156  -8.240
    9    H    TYR   3           HN       TYR   2  24.051   3.276  -5.885
   10    HA   TYR   3           HA       TYR   2  25.845   3.038  -3.725
   11    HB2  TYR   3           HB2      TYR   2  25.470   5.104  -5.110
   12    HB3  TYR   3           HB1      TYR   2  23.957   5.343  -4.243
   13    HD1  TYR   3           HD1      TYR   2  27.603   5.510  -4.039
   14    HD2  TYR   3           HD2      TYR   2  23.959   6.014  -1.898
   15    HE1  TYR   3           HE1      TYR   2  28.814   6.723  -2.277
   16    HE2  TYR   3           HE2      TYR   2  25.164   7.230  -0.130
   17    HH   TYR   3           HH       TYR   2  27.716   8.671  -0.297
   18    H    ALA   4           HN       ALA   3  22.315   3.300  -3.853
   19    HA   ALA   4           HA       ALA   3  21.836   3.611  -1.104
   20    HB1  ALA   4           HB1      ALA   3  20.134   3.977  -2.835
   21    HB2  ALA   4           HB2      ALA   3  19.570   2.878  -1.577
   22    HB3  ALA   4           HB3      ALA   3  20.081   2.241  -3.140
   23    H    GLN   5           HN       GLN   4  22.250   0.708  -3.095
   24    HA   GLN   5           HA       GLN   4  21.633  -1.177  -1.076
   25    HB2  GLN   5           HB2      GLN   4  22.457  -1.238  -3.801
   26    HB3  GLN   5           HB1      GLN   4  23.561  -2.260  -2.890
   27    HG2  GLN   5           HG2      GLN   4  21.985  -3.806  -3.332
   28    HG3  GLN   5           HG1      GLN   4  21.267  -3.138  -1.868
   29   HE21  GLN   5          HE21      GLN   4  20.576  -4.109  -4.895
   30   HE22  GLN   5          HE22      GLN   4  19.178  -3.144  -5.213
   31    H    TRP   6           HN       TRP   5  24.627   0.404  -2.077
   32    HA   TRP   6           HA       TRP   5  26.477  -1.070  -0.608
   33    HB2  TRP   6           HB2      TRP   5  27.259   0.520  -2.218
   34    HB3  TRP   6           HB1      TRP   5  26.434   1.844  -1.408
   35    HD1  TRP   6           HD1      TRP   5  29.348  -0.618  -0.673
   36    HE1  TRP   6           HE1      TRP   5  31.083   0.625   0.760
   37    HE3  TRP   6           HE3      TRP   5  26.876   3.816  -0.071
   38    HZ2  TRP   6           HZ2      TRP   5  31.368   3.150   1.987
   39    HZ3  TRP   6           HZ3      TRP   5  27.952   5.595   1.248
   40    HH2  TRP   6           HH2      TRP   5  30.151   5.264   2.254
   41    H    LEU   7           HN       LEU   6  24.470   1.688   0.371
   42    HA   LEU   7           HA       LEU   6  25.558   1.985   2.967
   43    HB2  LEU   7           HB2      LEU   6  22.911   2.784   1.770
   44    HB3  LEU   7           HB1      LEU   6  23.336   3.144   3.431
   45    HG   LEU   7           HG       LEU   6  24.855   4.107   1.007
   46   HD11  LEU   7          HD11      LEU   6  22.621   5.240   2.589
   47   HD12  LEU   7          HD12      LEU   6  23.018   5.435   0.882
   48   HD13  LEU   7          HD13      LEU   6  23.913   6.338   2.104
   49   HD21  LEU   7          HD21      LEU   6  26.001   5.566   2.631
   50   HD22  LEU   7          HD22      LEU   6  26.304   3.855   2.935
   51   HD23  LEU   7          HD23      LEU   6  25.158   4.740   3.943
   52    H    ALA   8           HN       ALA   7  22.899   0.050   1.674
   53    HA   ALA   8           HA       ALA   7  21.753  -0.789   4.086
   54    HB1  ALA   8           HB1      ALA   7  20.355  -1.471   2.477
   55    HB2  ALA   8           HB2      ALA   7  21.351  -2.926   2.433
   56    HB3  ALA   8           HB3      ALA   7  21.646  -1.621   1.285
   57    H    ASP   9           HN       ASP   8  24.534  -2.044   2.297
   58    HA   ASP   9           HA       ASP   8  24.835  -4.399   3.878
   59    HB2  ASP   9           HB2      ASP   8  26.870  -2.976   2.142
   60    HB3  ASP   9           HB1      ASP   8  27.039  -4.602   2.797
   61    H    DAL  10           HN       DAL   9  25.530  -1.113   4.489
   62    HA   DAL  10           HA       DAL   9  27.417  -1.835   6.631
   63    HB1  DAL  10           HB1      DAL   9  24.961  -1.309   7.277
   64    HB2  DAL  10           HB2      DAL   9  25.429   0.367   6.991
   65    HB3  DAL  10           HB3      DAL   9  26.276  -0.591   8.207
   66    H    GLY  11           HN       GLY  10  27.539  -0.458   3.811
   67    HA2  GLY  11           HA2      GLY  10  28.687   1.273   2.832
   68    HA3  GLY  11           HA1      GLY  10  28.360   2.216   4.274
   69    HA   PRO  12           HA       PRO  11  32.870   1.991   4.509
   70    HB2  PRO  12           HB2      PRO  11  32.413   3.630   6.927
   71    HB3  PRO  12           HB1      PRO  11  33.404   3.972   5.506
   72    HG2  PRO  12           HG2      PRO  11  31.095   5.257   5.937
   73    HG3  PRO  12           HG1      PRO  11  31.624   4.820   4.301
   74    HD2  PRO  12           HD2      PRO  11  29.584   3.500   6.050
   75    HD3  PRO  12           HD1      PRO  11  29.543   3.807   4.302
   76    H    ALA  13           HN       ALA  12  30.537   1.248   7.027
   77    HA   ALA  13           HA       ALA  12  32.376   0.202   8.920
   78    HB1  ALA  13           HB1      ALA  12  29.872   0.954   9.173
   79    HB2  ALA  13           HB2      ALA  12  30.560  -0.285  10.222
   80    HB3  ALA  13           HB3      ALA  12  29.556  -0.750   8.850
   81    H    SER  14           HN       SER  13  30.529  -1.270   6.276
   82    HA   SER  14           HA       SER  13  31.105  -3.960   6.965
   83    HB2  SER  14           HB2      SER  13  30.359  -4.504   4.682
   84    HB3  SER  14           HB1      SER  13  29.252  -3.380   5.467
   85    HG   SER  14           HG       SER  13  31.007  -2.963   3.336
   86    H    DAL  15           HN       DAL  14  32.923  -1.510   5.288
   87    HA   DAL  15           HA       DAL  14  35.202  -3.310   5.135
   88    HB1  DAL  15           HB1      DAL  14  35.025  -0.357   4.536
   89    HB2  DAL  15           HB2      DAL  14  36.504  -1.310   4.648
   90    HB3  DAL  15           HB3      DAL  14  35.502  -1.067   6.078
   91    H    NVA  16           HN       NVA  15  33.082  -1.479   2.989
   92    HA   NVA  16           HA       NVA  15  34.418  -2.702   0.668
   93    HB2  NVA  16           HB1      NVA  15  31.437  -2.409   1.101
   94    HB3  NVA  16           HB2      NVA  15  32.341  -3.914   1.178
   95    HG2  NVA  16           HG1      NVA  15  32.881  -3.749  -1.179
   96    HG3  NVA  16           HG2      NVA  15  32.059  -2.187  -1.276
   97    HD1  NVA  16           HD1      NVA  15  30.744  -4.798  -0.546
   98    HD2  NVA  16           HD2      NVA  15  30.681  -4.034  -2.134
   99    HD3  NVA  16           HD3      NVA  15  29.944  -3.238  -0.742
  100    HA   PRO  17           HA       PRO  16  34.539   1.493  -0.779
  101    HB2  PRO  17           HB2      PRO  16  35.163   1.016  -3.375
  102    HB3  PRO  17           HB1      PRO  16  36.333   0.845  -2.063
  103    HG2  PRO  17           HG2      PRO  16  34.736  -1.264  -3.464
  104    HG3  PRO  17           HG1      PRO  16  36.443  -1.285  -2.987
  105    HD2  PRO  17           HD2      PRO  16  34.507  -2.531  -1.556
  106    HD3  PRO  17           HD1      PRO  16  35.957  -1.837  -0.805
  107    HA   PRO  18           HA       PRO  17  30.284   2.003  -2.130
  108    HB2  PRO  18           HB2      PRO  17  30.618   4.685  -2.791
  109    HB3  PRO  18           HB1      PRO  17  30.171   4.072  -1.196
  110    HG2  PRO  18           HG2      PRO  17  32.847   4.902  -2.228
  111    HG3  PRO  18           HG1      PRO  17  32.129   5.158  -0.626
  112    HD2  PRO  18           HD2      PRO  17  33.979   3.272  -1.023
  113    HD3  PRO  18           HD1      PRO  17  32.605   2.990   0.069
  114    HA   PRO  19           HA       PRO  18  30.444   1.295  -6.506
  115    HB2  PRO  19           HB2      PRO  18  27.984   2.991  -6.511
  116    HB3  PRO  19           HB1      PRO  18  28.260   1.407  -7.245
  117    HG2  PRO  19           HG2      PRO  18  26.869   1.623  -4.991
  118    HG3  PRO  19           HG1      PRO  18  28.003   0.281  -5.232
  119    HD2  PRO  19           HD2      PRO  18  28.285   2.722  -3.550
  120    HD3  PRO  19           HD1      PRO  18  28.899   1.082  -3.273
  121    H    SER  20           HN       SER  19  31.897   2.348  -7.705
  122    HA   SER  20           HA       SER  19  31.484   5.214  -8.229
  123    HB2  SER  20           HB2      SER  19  34.101   3.831  -7.607
  124    HB3  SER  20           HB1      SER  19  33.991   5.457  -8.282
  125    HG   SER  20           HG       SER  19  33.983   4.882  -5.782
  126    HN1  NH2  21           H2       SER  19  33.457   2.448  -9.324
  127    HN2  NH2  21           H1       SER  19  33.218   2.730 -11.011
  Start of MODEL   21
    1    H1   ACE   1           HA2      ALA   1  20.138   2.163  -6.783
    2    H2   ACE   1           HA3      ALA   1  19.623   0.654  -7.531
    3    H3   ACE   1           HA1      ALA   1  20.165   2.022  -8.538
    4    H    ALA   2           HN       ALA   1  22.142   2.292  -6.065
    5    HA   ALA   2           HA       ALA   1  23.955   0.107  -6.432
    6    HB1  ALA   2           HB2      ALA   1  24.264   2.518  -8.082
    7    HB2  ALA   2           HB3      ALA   1  24.888   0.887  -8.322
    8    HB3  ALA   2           HB1      ALA   1  25.724   2.000  -7.240
    9    H    TYR   3           HN       TYR   2  24.223   3.607  -5.724
   10    HA   TYR   3           HA       TYR   2  26.010   3.266  -3.566
   11    HB2  TYR   3           HB2      TYR   2  25.650   5.384  -4.889
   12    HB3  TYR   3           HB1      TYR   2  24.151   5.611  -3.993
   13    HD1  TYR   3           HD1      TYR   2  27.806   5.692  -3.818
   14    HD2  TYR   3           HD2      TYR   2  24.189   6.219  -1.637
   15    HE1  TYR   3           HE1      TYR   2  29.057   6.820  -2.027
   16    HE2  TYR   3           HE2      TYR   2  25.433   7.350   0.159
   17    HH   TYR   3           HH       TYR   2  28.736   7.221   0.477
   18    H    ALA   4           HN       ALA   3  22.483   3.596  -3.707
   19    HA   ALA   4           HA       ALA   3  22.002   3.794  -0.946
   20    HB1  ALA   4           HB1      ALA   3  20.305   4.329  -2.605
   21    HB2  ALA   4           HB2      ALA   3  19.711   3.112  -1.474
   22    HB3  ALA   4           HB3      ALA   3  20.227   2.636  -3.092
   23    H    GLN   5           HN       GLN   4  22.284   0.970  -3.080
   24    HA   GLN   5           HA       GLN   4  21.610  -0.982  -1.143
   25    HB2  GLN   5           HB2      GLN   4  22.100  -1.023  -3.836
   26    HB3  GLN   5           HB1      GLN   4  23.548  -1.795  -3.208
   27    HG2  GLN   5           HG2      GLN   4  20.851  -2.691  -2.294
   28    HG3  GLN   5           HG1      GLN   4  21.494  -3.230  -3.844
   29   HE21  GLN   5          HE21      GLN   4  20.908  -5.037  -1.885
   30   HE22  GLN   5          HE22      GLN   4  22.365  -5.721  -1.260
   31    H    TRP   6           HN       TRP   5  24.639   0.550  -2.087
   32    HA   TRP   6           HA       TRP   5  26.461  -1.055  -0.717
   33    HB2  TRP   6           HB2      TRP   5  27.281   0.571  -2.263
   34    HB3  TRP   6           HB1      TRP   5  26.497   1.887  -1.401
   35    HD1  TRP   6           HD1      TRP   5  29.363  -0.665  -0.790
   36    HE1  TRP   6           HE1      TRP   5  31.141   0.487   0.666
   37    HE3  TRP   6           HE3      TRP   5  26.997   3.797   0.012
   38    HZ2  TRP   6           HZ2      TRP   5  31.500   2.954   1.979
   39    HZ3  TRP   6           HZ3      TRP   5  28.129   5.501   1.381
   40    HH2  TRP   6           HH2      TRP   5  30.335   5.085   2.343
   41    H    LEU   7           HN       LEU   6  24.550   1.716   0.404
   42    HA   LEU   7           HA       LEU   6  25.671   1.877   2.997
   43    HB2  LEU   7           HB2      LEU   6  23.017   2.775   1.887
   44    HB3  LEU   7           HB1      LEU   6  23.514   3.092   3.537
   45    HG   LEU   7           HG       LEU   6  25.009   4.046   1.095
   46   HD11  LEU   7          HD11      LEU   6  24.088   6.288   2.218
   47   HD12  LEU   7          HD12      LEU   6  22.770   5.198   2.642
   48   HD13  LEU   7          HD13      LEU   6  23.219   5.421   0.952
   49   HD21  LEU   7          HD21      LEU   6  26.176   5.489   2.714
   50   HD22  LEU   7          HD22      LEU   6  26.445   3.775   3.032
   51   HD23  LEU   7          HD23      LEU   6  25.313   4.689   4.028
   52    H    ALA   8           HN       ALA   7  22.991   0.027   1.641
   53    HA   ALA   8           HA       ALA   7  21.811  -0.868   4.018
   54    HB1  ALA   8           HB1      ALA   7  20.642  -2.420   2.717
   55    HB2  ALA   8           HB2      ALA   7  21.938  -2.536   1.527
   56    HB3  ALA   8           HB3      ALA   7  20.953  -1.077   1.619
   57    H    ASP   9           HN       ASP   8  24.595  -2.091   2.219
   58    HA   ASP   9           HA       ASP   8  24.841  -4.506   3.726
   59    HB2  ASP   9           HB2      ASP   8  27.106  -3.200   2.227
   60    HB3  ASP   9           HB1      ASP   8  26.832  -4.911   2.523
   61    H    DAL  10           HN       DAL   9  25.602  -1.257   4.435
   62    HA   DAL  10           HA       DAL   9  27.471  -2.085   6.555
   63    HB1  DAL  10           HB1      DAL   9  26.388  -0.737   8.143
   64    HB2  DAL  10           HB2      DAL   9  25.093  -1.589   7.302
   65    HB3  DAL  10           HB3      DAL   9  25.439   0.096   6.912
   66    H    GLY  11           HN       GLY  10  27.591  -0.591   3.775
   67    HA2  GLY  11           HA2      GLY  10  28.780   1.137   2.853
   68    HA3  GLY  11           HA1      GLY  10  28.503   2.031   4.340
   69    HA   PRO  12           HA       PRO  11  33.011   1.637   4.456
   70    HB2  PRO  12           HB2      PRO  11  32.686   3.281   6.889
   71    HB3  PRO  12           HB1      PRO  11  33.644   3.592   5.438
   72    HG2  PRO  12           HG2      PRO  11  31.398   4.958   5.953
   73    HG3  PRO  12           HG1      PRO  11  31.862   4.521   4.299
   74    HD2  PRO  12           HD2      PRO  11  29.829   3.256   6.096
   75    HD3  PRO  12           HD1      PRO  11  29.745   3.584   4.353
   76    H    ALA  13           HN       ALA  12  30.715   0.961   7.030
   77    HA   ALA  13           HA       ALA  12  32.557  -0.144   8.880
   78    HB1  ALA  13           HB1      ALA  12  30.462   0.604   9.706
   79    HB2  ALA  13           HB2      ALA  12  30.510  -1.145   9.924
   80    HB3  ALA  13           HB3      ALA  12  29.576  -0.446   8.601
   81    H    SER  14           HN       SER  13  30.642  -1.567   6.257
   82    HA   SER  14           HA       SER  13  31.223  -4.270   6.939
   83    HB2  SER  14           HB2      SER  13  30.385  -4.790   4.658
   84    HB3  SER  14           HB1      SER  13  29.289  -3.753   5.567
   85    HG   SER  14           HG       SER  13  30.893  -3.152   3.356
   86    H    DAL  15           HN       DAL  14  32.969  -1.822   5.199
   87    HA   DAL  15           HA       DAL  14  35.214  -3.644   4.888
   88    HB1  DAL  15           HB1      DAL  14  36.494  -1.631   4.320
   89    HB2  DAL  15           HB2      DAL  14  35.632  -1.450   5.848
   90    HB3  DAL  15           HB3      DAL  14  35.013  -0.676   4.389
   91    H    NVA  16           HN       NVA  15  33.009  -1.752   2.883
   92    HA   NVA  16           HA       NVA  15  34.168  -3.012   0.486
   93    HB2  NVA  16           HB1      NVA  15  31.249  -2.535   1.122
   94    HB3  NVA  16           HB2      NVA  15  32.057  -4.092   1.036
   95    HG2  NVA  16           HG1      NVA  15  32.405  -3.829  -1.341
   96    HG3  NVA  16           HG2      NVA  15  31.707  -2.207  -1.288
   97    HD1  NVA  16           HD1      NVA  15  30.072  -3.778  -2.117
   98    HD2  NVA  16           HD2      NVA  15  29.576  -3.190  -0.530
   99    HD3  NVA  16           HD3      NVA  15  30.286  -4.796  -0.693
  100    HA   PRO  17           HA       PRO  16  34.541   1.176  -0.935
  101    HB2  PRO  17           HB2      PRO  16  35.028   0.696  -3.554
  102    HB3  PRO  17           HB1      PRO  16  36.226   0.391  -2.290
  103    HG2  PRO  17           HG2      PRO  16  34.388  -1.534  -3.663
  104    HG3  PRO  17           HG1      PRO  16  36.106  -1.719  -3.263
  105    HD2  PRO  17           HD2      PRO  16  34.125  -2.814  -1.770
  106    HD3  PRO  17           HD1      PRO  16  35.666  -2.277  -1.074
  107    HA   PRO  18           HA       PRO  17  30.295   2.013  -2.161
  108    HB2  PRO  18           HB2      PRO  17  30.728   4.705  -2.622
  109    HB3  PRO  18           HB1      PRO  17  30.358   4.001  -1.045
  110    HG2  PRO  18           HG2      PRO  17  33.006   4.761  -2.207
  111    HG3  PRO  18           HG1      PRO  17  32.399   4.988  -0.555
  112    HD2  PRO  18           HD2      PRO  17  34.112   3.020  -1.141
  113    HD3  PRO  18           HD1      PRO  17  32.794   2.772   0.026
  114    HA   PRO  19           HA       PRO  18  30.810   1.846  -6.589
  115    HB2  PRO  19           HB2      PRO  18  28.200   1.905  -7.286
  116    HB3  PRO  19           HB1      PRO  18  28.959   0.479  -6.570
  117    HG2  PRO  19           HG2      PRO  18  27.254   2.569  -5.277
  118    HG3  PRO  19           HG1      PRO  18  27.232   0.811  -5.053
  119    HD2  PRO  19           HD2      PRO  18  28.445   2.533  -3.320
  120    HD3  PRO  19           HD1      PRO  18  28.974   0.857  -3.562
  121    H    SER  20           HN       SER  19  31.720   3.700  -7.330
  122    HA   SER  20           HA       SER  19  29.917   5.838  -8.146
  123    HB2  SER  20           HB2      SER  19  32.254   6.228  -6.279
  124    HB3  SER  20           HB1      SER  19  31.634   7.542  -7.281
  125    HG   SER  20           HG       SER  19  30.596   7.624  -5.311
  126    HN1  NH2  21           H2       SER  19  30.360   6.416 -10.167
  127    HN2  NH2  21           H1       SER  19  31.866   6.190 -10.983
  Start of MODEL   22
    1    H1   ACE   1           HA2      ALA   1  20.172   3.699  -7.540
    2    H2   ACE   1           HA3      ALA   1  20.014   3.109  -5.879
    3    H3   ACE   1           HA1      ALA   1  19.960   1.970  -7.232
    4    H    ALA   2           HN       ALA   1  21.683   0.761  -6.417
    5    HA   ALA   2           HA       ALA   1  23.852   0.080  -6.417
    6    HB1  ALA   2           HB2      ALA   1  23.851   2.120  -8.333
    7    HB2  ALA   2           HB3      ALA   1  25.071   0.871  -8.093
    8    HB3  ALA   2           HB1      ALA   1  25.244   2.436  -7.300
    9    H    TYR   3           HN       TYR   2  24.129   3.587  -5.726
   10    HA   TYR   3           HA       TYR   2  25.971   3.231  -3.616
   11    HB2  TYR   3           HB2      TYR   2  25.619   5.346  -4.940
   12    HB3  TYR   3           HB1      TYR   2  24.141   5.605  -4.019
   13    HD1  TYR   3           HD1      TYR   2  27.799   5.629  -3.910
   14    HD2  TYR   3           HD2      TYR   2  24.231   6.231  -1.668
   15    HE1  TYR   3           HE1      TYR   2  29.101   6.748  -2.151
   16    HE2  TYR   3           HE2      TYR   2  25.528   7.354   0.097
   17    HH   TYR   3           HH       TYR   2  28.267   8.660  -0.177
   18    H    ALA   4           HN       ALA   3  22.447   3.611  -3.666
   19    HA   ALA   4           HA       ALA   3  22.043   3.848  -0.896
   20    HB1  ALA   4           HB1      ALA   3  20.283   4.391  -2.447
   21    HB2  ALA   4           HB2      ALA   3  19.728   3.106  -1.374
   22    HB3  ALA   4           HB3      ALA   3  20.225   2.726  -3.024
   23    H    GLN   5           HN       GLN   4  22.249   1.000  -3.001
   24    HA   GLN   5           HA       GLN   4  21.601  -0.928  -1.036
   25    HB2  GLN   5           HB2      GLN   4  21.617  -1.328  -3.509
   26    HB3  GLN   5           HB1      GLN   4  23.373  -1.304  -3.458
   27    HG2  GLN   5           HG2      GLN   4  23.440  -3.435  -2.876
   28    HG3  GLN   5           HG1      GLN   4  22.378  -3.142  -1.501
   29   HE21  GLN   5          HE21      GLN   4  20.558  -4.249  -1.514
   30   HE22  GLN   5          HE22      GLN   4  19.739  -4.848  -2.913
   31    H    TRP   6           HN       TRP   5  24.637   0.563  -2.043
   32    HA   TRP   6           HA       TRP   5  26.458  -1.035  -0.672
   33    HB2  TRP   6           HB2      TRP   5  27.270   0.580  -2.240
   34    HB3  TRP   6           HB1      TRP   5  26.510   1.904  -1.369
   35    HD1  TRP   6           HD1      TRP   5  29.345  -0.687  -0.774
   36    HE1  TRP   6           HE1      TRP   5  31.155   0.449   0.658
   37    HE3  TRP   6           HE3      TRP   5  27.060   3.819   0.015
   38    HZ2  TRP   6           HZ2      TRP   5  31.565   2.917   1.950
   39    HZ3  TRP   6           HZ3      TRP   5  28.232   5.514   1.362
   40    HH2  TRP   6           HH2      TRP   5  30.438   5.068   2.308
   41    H    LEU   7           HN       LEU   6  24.601   1.775   0.450
   42    HA   LEU   7           HA       LEU   6  25.747   1.926   3.032
   43    HB2  LEU   7           HB2      LEU   6  23.087   2.860   1.961
   44    HB3  LEU   7           HB1      LEU   6  23.634   3.192   3.592
   45    HG   LEU   7           HG       LEU   6  25.101   4.077   1.108
   46   HD11  LEU   7          HD11      LEU   6  23.356   5.490   0.926
   47   HD12  LEU   7          HD12      LEU   6  24.195   6.353   2.216
   48   HD13  LEU   7          HD13      LEU   6  22.858   5.269   2.603
   49   HD21  LEU   7          HD21      LEU   6  25.418   4.858   4.005
   50   HD22  LEU   7          HD22      LEU   6  26.329   5.517   2.647
   51   HD23  LEU   7          HD23      LEU   6  26.513   3.820   3.092
   52    H    ALA   8           HN       ALA   7  22.983   0.160   1.722
   53    HA   ALA   8           HA       ALA   7  21.847  -0.725   4.124
   54    HB1  ALA   8           HB1      ALA   7  20.645  -0.921   2.052
   55    HB2  ALA   8           HB2      ALA   7  20.843  -2.529   2.749
   56    HB3  ALA   8           HB3      ALA   7  21.861  -2.020   1.402
   57    H    ASP   9           HN       ASP   8  24.548  -1.997   2.240
   58    HA   ASP   9           HA       ASP   8  24.763  -4.444   3.703
   59    HB2  ASP   9           HB2      ASP   8  27.004  -3.162   2.141
   60    HB3  ASP   9           HB1      ASP   8  26.733  -4.871   2.456
   61    H    DAL  10           HN       DAL   9  25.642  -1.225   4.432
   62    HA   DAL  10           HA       DAL   9  27.552  -2.136   6.480
   63    HB1  DAL  10           HB1      DAL   9  25.521  -1.762   7.638
   64    HB2  DAL  10           HB2      DAL   9  25.246  -0.234   6.801
   65    HB3  DAL  10           HB3      DAL   9  26.557  -0.375   7.972
   66    H    GLY  11           HN       GLY  10  27.654  -0.612   3.735
   67    HA2  GLY  11           HA2      GLY  10  28.853   1.114   2.816
   68    HA3  GLY  11           HA1      GLY  10  28.582   2.001   4.306
   69    HA   PRO  12           HA       PRO  11  33.085   1.610   4.440
   70    HB2  PRO  12           HB2      PRO  11  32.740   3.172   6.925
   71    HB3  PRO  12           HB1      PRO  11  33.710   3.532   5.494
   72    HG2  PRO  12           HG2      PRO  11  31.458   4.878   6.031
   73    HG3  PRO  12           HG1      PRO  11  31.934   4.488   4.367
   74    HD2  PRO  12           HD2      PRO  11  29.890   3.170   6.113
   75    HD3  PRO  12           HD1      PRO  11  29.818   3.549   4.379
   76    H    ALA  13           HN       ALA  12  30.779   0.844   6.977
   77    HA   ALA  13           HA       ALA  12  32.615  -0.329   8.795
   78    HB1  ALA  13           HB1      ALA  12  30.447  -1.468   9.645
   79    HB2  ALA  13           HB2      ALA  12  29.642  -0.403   8.493
   80    HB3  ALA  13           HB3      ALA  12  30.622   0.281   9.789
   81    H    SER  14           HN       SER  13  30.654  -1.668   6.153
   82    HA   SER  14           HA       SER  13  31.252  -4.388   6.718
   83    HB2  SER  14           HB2      SER  13  30.377  -4.836   4.448
   84    HB3  SER  14           HB1      SER  13  29.307  -3.791   5.378
   85    HG   SER  14           HG       SER  13  29.643  -3.043   3.226
   86    H    DAL  15           HN       DAL  14  32.998  -1.878   5.074
   87    HA   DAL  15           HA       DAL  14  35.250  -3.665   4.703
   88    HB1  DAL  15           HB1      DAL  14  34.985  -0.699   4.212
   89    HB2  DAL  15           HB2      DAL  14  36.482  -1.623   4.101
   90    HB3  DAL  15           HB3      DAL  14  35.655  -1.468   5.651
   91    H    NVA  16           HN       NVA  15  32.963  -1.854   2.728
   92    HA   NVA  16           HA       NVA  15  34.101  -3.122   0.325
   93    HB2  NVA  16           HB1      NVA  15  31.203  -2.591   1.012
   94    HB3  NVA  16           HB2      NVA  15  31.981  -4.159   0.885
   95    HG2  NVA  16           HG1      NVA  15  32.149  -2.501  -1.535
   96    HG3  NVA  16           HG2      NVA  15  30.522  -3.018  -1.080
   97    HD1  NVA  16           HD1      NVA  15  32.857  -4.631  -1.950
   98    HD2  NVA  16           HD2      NVA  15  31.151  -4.791  -2.368
   99    HD3  NVA  16           HD3      NVA  15  31.731  -5.348  -0.798
  100    HA   PRO  17           HA       PRO  16  34.593   1.038  -1.138
  101    HB2  PRO  17           HB2      PRO  16  34.943   0.506  -3.781
  102    HB3  PRO  17           HB1      PRO  16  36.194   0.228  -2.565
  103    HG2  PRO  17           HG2      PRO  16  34.301  -1.722  -3.819
  104    HG3  PRO  17           HG1      PRO  16  36.028  -1.908  -3.459
  105    HD2  PRO  17           HD2      PRO  16  34.085  -2.956  -1.888
  106    HD3  PRO  17           HD1      PRO  16  35.642  -2.400  -1.242
  107    HA   PRO  18           HA       PRO  17  30.318   1.985  -2.184
  108    HB2  PRO  18           HB2      PRO  17  30.824   4.668  -2.654
  109    HB3  PRO  18           HB1      PRO  17  30.453   3.970  -1.075
  110    HG2  PRO  18           HG2      PRO  17  33.102   4.670  -2.266
  111    HG3  PRO  18           HG1      PRO  17  32.529   4.874  -0.599
  112    HD2  PRO  18           HD2      PRO  17  34.182   2.879  -1.264
  113    HD3  PRO  18           HD1      PRO  17  32.888   2.642  -0.070
  114    HA   PRO  19           HA       PRO  18  30.694   1.894  -6.631
  115    HB2  PRO  19           HB2      PRO  18  28.075   1.904  -7.251
  116    HB3  PRO  19           HB1      PRO  18  28.860   0.495  -6.530
  117    HG2  PRO  19           HG2      PRO  18  27.163   2.588  -5.233
  118    HG3  PRO  19           HG1      PRO  18  27.164   0.834  -4.981
  119    HD2  PRO  19           HD2      PRO  18  28.410   2.619  -3.317
  120    HD3  PRO  19           HD1      PRO  18  28.910   0.927  -3.504
  121    H    SER  20           HN       SER  19  31.667   4.063  -6.609
  122    HA   SER  20           HA       SER  19  29.931   5.982  -7.945
  123    HB2  SER  20           HB2      SER  19  31.442   6.597  -5.399
  124    HB3  SER  20           HB1      SER  19  30.859   7.848  -6.497
  125    HG   SER  20           HG       SER  19  29.449   7.200  -4.668
  126    HN1  NH2  21           H2       SER  19  30.948   6.904  -9.611
  127    HN2  NH2  21           H1       SER  19  32.656   6.919  -9.866
  Start of MODEL   23
    1    H1   ACE   1           HA2      ALA   1  19.517   1.227  -6.994
    2    H2   ACE   1           HA3      ALA   1  20.410   2.729  -7.269
    3    H3   ACE   1           HA1      ALA   1  19.691   2.405  -5.686
    4    H    ALA   2           HN       ALA   1  22.454   2.135  -7.614
    5    HA   ALA   2           HA       ALA   1  23.697  -0.120  -6.426
    6    HB1  ALA   2           HB2      ALA   1  25.258   2.182  -7.535
    7    HB2  ALA   2           HB3      ALA   1  24.306   1.148  -8.602
    8    HB3  ALA   2           HB1      ALA   1  25.600   0.454  -7.622
    9    H    TYR   3           HN       TYR   2  24.122   3.379  -5.850
   10    HA   TYR   3           HA       TYR   2  25.905   3.097  -3.685
   11    HB2  TYR   3           HB2      TYR   2  25.534   5.187  -5.035
   12    HB3  TYR   3           HB1      TYR   2  24.022   5.411  -4.162
   13    HD1  TYR   3           HD1      TYR   2  27.673   5.531  -3.938
   14    HD2  TYR   3           HD2      TYR   2  24.021   6.075  -1.820
   15    HE1  TYR   3           HE1      TYR   2  28.890   6.708  -2.156
   16    HE2  TYR   3           HE2      TYR   2  25.232   7.256  -0.031
   17    HH   TYR   3           HH       TYR   2  27.804   8.658  -0.163
   18    H    ALA   4           HN       ALA   3  22.379   3.365  -3.827
   19    HA   ALA   4           HA       ALA   3  21.892   3.623  -1.074
   20    HB1  ALA   4           HB1      ALA   3  20.165   4.071  -2.696
   21    HB2  ALA   4           HB2      ALA   3  19.623   2.802  -1.599
   22    HB3  ALA   4           HB3      ALA   3  20.174   2.388  -3.223
   23    H    GLN   5           HN       GLN   4  22.301   0.756  -3.122
   24    HA   GLN   5           HA       GLN   4  21.657  -1.170  -1.152
   25    HB2  GLN   5           HB2      GLN   4  22.679  -1.161  -3.857
   26    HB3  GLN   5           HB1      GLN   4  23.560  -2.322  -2.875
   27    HG2  GLN   5           HG2      GLN   4  21.842  -3.604  -3.689
   28    HG3  GLN   5           HG1      GLN   4  21.196  -3.093  -2.130
   29   HE21  GLN   5          HE21      GLN   4  19.608  -1.453  -2.078
   30   HE22  GLN   5          HE22      GLN   4  18.633  -1.113  -3.463
   31    H    TRP   6           HN       TRP   5  24.665   0.426  -2.085
   32    HA   TRP   6           HA       TRP   5  26.498  -1.065  -0.611
   33    HB2  TRP   6           HB2      TRP   5  27.285   0.544  -2.206
   34    HB3  TRP   6           HB1      TRP   5  26.464   1.859  -1.376
   35    HD1  TRP   6           HD1      TRP   5  29.366  -0.626  -0.675
   36    HE1  TRP   6           HE1      TRP   5  31.104   0.590   0.779
   37    HE3  TRP   6           HE3      TRP   5  26.920   3.818  -0.024
   38    HZ2  TRP   6           HZ2      TRP   5  31.403   3.097   2.036
   39    HZ3  TRP   6           HZ3      TRP   5  28.005   5.574   1.320
   40    HH2  TRP   6           HH2      TRP   5  30.201   5.216   2.326
   41    H    LEU   7           HN       LEU   6  24.505   1.708   0.372
   42    HA   LEU   7           HA       LEU   6  25.562   1.967   2.983
   43    HB2  LEU   7           HB2      LEU   6  22.942   2.804   1.755
   44    HB3  LEU   7           HB1      LEU   6  23.330   3.129   3.433
   45    HG   LEU   7           HG       LEU   6  24.887   4.140   1.052
   46   HD11  LEU   7          HD11      LEU   6  23.988   6.348   2.226
   47   HD12  LEU   7          HD12      LEU   6  22.677   5.259   2.677
   48   HD13  LEU   7          HD13      LEU   6  23.074   5.504   0.976
   49   HD21  LEU   7          HD21      LEU   6  26.339   3.802   2.959
   50   HD22  LEU   7          HD22      LEU   6  25.207   4.657   4.007
   51   HD23  LEU   7          HD23      LEU   6  26.054   5.527   2.727
   52    H    ALA   8           HN       ALA   7  22.961   0.014   1.629
   53    HA   ALA   8           HA       ALA   7  21.718  -0.811   3.994
   54    HB1  ALA   8           HB1      ALA   7  20.593  -2.381   2.717
   55    HB2  ALA   8           HB2      ALA   7  21.967  -2.642   1.642
   56    HB3  ALA   8           HB3      ALA   7  21.026  -1.156   1.525
   57    H    ASP   9           HN       ASP   8  24.600  -2.062   2.367
   58    HA   ASP   9           HA       ASP   8  24.824  -4.386   4.025
   59    HB2  ASP   9           HB2      ASP   8  27.128  -3.164   2.519
   60    HB3  ASP   9           HB1      ASP   8  26.835  -4.856   2.893
   61    H    DAL  10           HN       DAL   9  25.529  -1.092   4.536
   62    HA   DAL  10           HA       DAL   9  27.348  -1.756   6.754
   63    HB1  DAL  10           HB1      DAL   9  25.700  -1.138   8.119
   64    HB2  DAL  10           HB2      DAL   9  24.754  -0.445   6.801
   65    HB3  DAL  10           HB3      DAL   9  26.015   0.511   7.581
   66    H    GLY  11           HN       GLY  10  27.470  -0.409   3.862
   67    HA2  GLY  11           HA2      GLY  10  28.682   1.257   2.858
   68    HA3  GLY  11           HA1      GLY  10  28.409   2.225   4.298
   69    HA   PRO  12           HA       PRO  11  32.903   1.822   4.506
   70    HB2  PRO  12           HB2      PRO  11  32.538   3.445   6.949
   71    HB3  PRO  12           HB1      PRO  11  33.525   3.768   5.520
   72    HG2  PRO  12           HG2      PRO  11  31.271   5.132   6.000
   73    HG3  PRO  12           HG1      PRO  11  31.767   4.702   4.352
   74    HD2  PRO  12           HD2      PRO  11  29.697   3.434   6.104
   75    HD3  PRO  12           HD1      PRO  11  29.648   3.769   4.360
   76    H    ALA  13           HN       ALA  12  30.573   1.141   7.048
   77    HA   ALA  13           HA       ALA  12  32.370   0.002   8.920
   78    HB1  ALA  13           HB1      ALA  12  30.333   0.640   9.834
   79    HB2  ALA  13           HB2      ALA  12  30.196  -1.117   9.760
   80    HB3  ALA  13           HB3      ALA  12  29.401  -0.118   8.543
   81    H    SER  14           HN       SER  13  30.505  -1.375   6.240
   82    HA   SER  14           HA       SER  13  31.031  -4.092   6.852
   83    HB2  SER  14           HB2      SER  13  30.220  -4.578   4.610
   84    HB3  SER  14           HB1      SER  13  29.198  -3.347   5.350
   85    HG   SER  14           HG       SER  13  29.893  -1.905   3.950
   86    H    DAL  15           HN       DAL  14  32.880  -1.630   5.221
   87    HA   DAL  15           HA       DAL  14  35.142  -3.448   5.032
   88    HB1  DAL  15           HB1      DAL  14  34.952  -0.484   4.500
   89    HB2  DAL  15           HB2      DAL  14  36.439  -1.432   4.504
   90    HB3  DAL  15           HB3      DAL  14  35.509  -1.244   5.991
   91    H    NVA  16           HN       NVA  15  33.012  -1.600   2.912
   92    HA   NVA  16           HA       NVA  15  34.303  -2.842   0.572
   93    HB2  NVA  16           HB1      NVA  15  31.342  -2.457   1.069
   94    HB3  NVA  16           HB2      NVA  15  32.199  -3.990   1.059
   95    HG2  NVA  16           HG1      NVA  15  32.331  -2.307  -1.389
   96    HG3  NVA  16           HG2      NVA  15  30.824  -3.156  -1.030
   97    HD1  NVA  16           HD1      NVA  15  33.549  -4.417  -1.293
   98    HD2  NVA  16           HD2      NVA  15  32.246  -4.492  -2.479
   99    HD3  NVA  16           HD3      NVA  15  32.054  -5.269  -0.908
  100    HA   PRO  17           HA       PRO  16  34.601   1.364  -0.826
  101    HB2  PRO  17           HB2      PRO  16  35.171   0.896  -3.439
  102    HB3  PRO  17           HB1      PRO  16  36.350   0.667  -2.143
  103    HG2  PRO  17           HG2      PRO  16  34.654  -1.367  -3.540
  104    HG3  PRO  17           HG1      PRO  16  36.367  -1.458  -3.091
  105    HD2  PRO  17           HD2      PRO  16  34.417  -2.648  -1.640
  106    HD3  PRO  17           HD1      PRO  16  35.894  -2.000  -0.901
  107    HA   PRO  18           HA       PRO  17  30.343   2.030  -2.101
  108    HB2  PRO  18           HB2      PRO  17  30.731   4.725  -2.662
  109    HB3  PRO  18           HB1      PRO  17  30.292   4.061  -1.086
  110    HG2  PRO  18           HG2      PRO  17  32.972   4.868  -2.126
  111    HG3  PRO  18           HG1      PRO  17  32.285   5.084  -0.506
  112    HD2  PRO  18           HD2      PRO  17  34.082   3.170  -0.998
  113    HD3  PRO  18           HD1      PRO  17  32.720   2.883   0.106
  114    HA   PRO  19           HA       PRO  18  30.579   1.469  -6.502
  115    HB2  PRO  19           HB2      PRO  18  27.947   2.868  -6.459
  116    HB3  PRO  19           HB1      PRO  18  28.390   1.321  -7.189
  117    HG2  PRO  19           HG2      PRO  18  26.988   1.406  -4.927
  118    HG3  PRO  19           HG1      PRO  18  28.244   0.179  -5.178
  119    HD2  PRO  19           HD2      PRO  18  28.315   2.652  -3.511
  120    HD3  PRO  19           HD1      PRO  18  29.049   1.066  -3.212
  121    H    SER  20           HN       SER  19  31.837   2.719  -7.729
  122    HA   SER  20           HA       SER  19  31.012   5.464  -8.287
  123    HB2  SER  20           HB2      SER  19  33.624   4.662  -7.043
  124    HB3  SER  20           HB1      SER  19  33.552   6.070  -8.102
  125    HG   SER  20           HG       SER  19  32.550   7.142  -6.591
  126    HN1  NH2  21           H2       SER  19  30.455   3.882 -10.153
  127    HN2  NH2  21           H1       SER  19  31.635   3.774 -11.410
  Start of MODEL   24
    1    H1   ACE   1           HA2      ALA   1  19.790   1.045  -7.254
    2    H2   ACE   1           HA3      ALA   1  20.529   2.645  -7.097
    3    H3   ACE   1           HA1      ALA   1  19.718   1.904  -5.709
    4    H    ALA   2           HN       ALA   1  22.629   2.179  -7.498
    5    HA   ALA   2           HA       ALA   1  23.945  -0.118  -6.399
    6    HB1  ALA   2           HB2      ALA   1  24.878   0.506  -8.412
    7    HB2  ALA   2           HB3      ALA   1  26.019   1.206  -7.263
    8    HB3  ALA   2           HB1      ALA   1  24.806   2.227  -8.035
    9    H    TYR   3           HN       TYR   2  24.306   3.397  -5.848
   10    HA   TYR   3           HA       TYR   2  26.070   3.134  -3.654
   11    HB2  TYR   3           HB2      TYR   2  25.743   5.206  -5.052
   12    HB3  TYR   3           HB1      TYR   2  24.221   5.463  -4.206
   13    HD1  TYR   3           HD1      TYR   2  27.862   5.602  -3.958
   14    HD2  TYR   3           HD2      TYR   2  24.201   6.109  -1.846
   15    HE1  TYR   3           HE1      TYR   2  29.063   6.795  -2.174
   16    HE2  TYR   3           HE2      TYR   2  25.396   7.304  -0.058
   17    HH   TYR   3           HH       TYR   2  27.976   8.728  -0.196
   18    H    ALA   4           HN       ALA   3  22.548   3.431  -3.872
   19    HA   ALA   4           HA       ALA   3  22.011   3.749  -1.132
   20    HB1  ALA   4           HB1      ALA   3  20.332   4.195  -2.820
   21    HB2  ALA   4           HB2      ALA   3  19.737   2.987  -1.681
   22    HB3  ALA   4           HB3      ALA   3  20.302   2.492  -3.277
   23    H    GLN   5           HN       GLN   4  22.382   0.842  -3.129
   24    HA   GLN   5           HA       GLN   4  21.682  -1.030  -1.116
   25    HB2  GLN   5           HB2      GLN   4  22.854  -1.114  -3.810
   26    HB3  GLN   5           HB1      GLN   4  23.413  -2.400  -2.752
   27    HG2  GLN   5           HG2      GLN   4  21.105  -3.061  -2.324
   28    HG3  GLN   5           HG1      GLN   4  20.537  -1.764  -3.374
   29   HE21  GLN   5          HE21      GLN   4  21.355  -4.989  -3.212
   30   HE22  GLN   5          HE22      GLN   4  21.513  -5.312  -4.901
   31    H    TRP   6           HN       TRP   5  24.723   0.472  -2.086
   32    HA   TRP   6           HA       TRP   5  26.532  -1.061  -0.632
   33    HB2  TRP   6           HB2      TRP   5  27.363   0.529  -2.209
   34    HB3  TRP   6           HB1      TRP   5  26.552   1.861  -1.399
   35    HD1  TRP   6           HD1      TRP   5  29.432  -0.641  -0.677
   36    HE1  TRP   6           HE1      TRP   5  31.173   0.564   0.782
   37    HE3  TRP   6           HE3      TRP   5  27.007   3.812  -0.019
   38    HZ2  TRP   6           HZ2      TRP   5  31.484   3.062   2.042
   39    HZ3  TRP   6           HZ3      TRP   5  28.100   5.559   1.329
   40    HH2  TRP   6           HH2      TRP   5  30.292   5.187   2.337
   41    H    LEU   7           HN       LEU   6  24.573   1.715   0.384
   42    HA   LEU   7           HA       LEU   6  25.651   1.951   2.991
   43    HB2  LEU   7           HB2      LEU   6  23.004   2.801   1.824
   44    HB3  LEU   7           HB1      LEU   6  23.487   3.172   3.467
   45    HG   LEU   7           HG       LEU   6  25.009   4.053   1.016
   46   HD11  LEU   7          HD11      LEU   6  24.031   6.326   2.043
   47   HD12  LEU   7          HD12      LEU   6  22.714   5.227   2.457
   48   HD13  LEU   7          HD13      LEU   6  23.216   5.407   0.776
   49   HD21  LEU   7          HD21      LEU   6  25.224   4.943   3.890
   50   HD22  LEU   7          HD22      LEU   6  26.210   5.494   2.535
   51   HD23  LEU   7          HD23      LEU   6  26.333   3.826   3.096
   52    H    ALA   8           HN       ALA   7  22.997   0.062   1.639
   53    HA   ALA   8           HA       ALA   7  21.779  -0.780   4.012
   54    HB1  ALA   8           HB1      ALA   7  20.544  -2.200   2.717
   55    HB2  ALA   8           HB2      ALA   7  21.915  -2.651   1.703
   56    HB3  ALA   8           HB3      ALA   7  21.127  -1.089   1.478
   57    H    ASP   9           HN       ASP   8  24.603  -2.050   2.304
   58    HA   ASP   9           HA       ASP   8  24.825  -4.418   3.890
   59    HB2  ASP   9           HB2      ASP   8  27.107  -3.135   2.391
   60    HB3  ASP   9           HB1      ASP   8  26.861  -4.837   2.758
   61    H    DAL  10           HN       DAL   9  25.559  -1.144   4.509
   62    HA   DAL  10           HA       DAL   9  27.375  -1.894   6.703
   63    HB1  DAL  10           HB1      DAL   9  25.054  -1.413   7.463
   64    HB2  DAL  10           HB2      DAL   9  25.248   0.232   6.858
   65    HB3  DAL  10           HB3      DAL   9  26.277  -0.354   8.164
   66    H    GLY  11           HN       GLY  10  27.500  -0.444   3.858
   67    HA2  GLY  11           HA2      GLY  10  28.717   1.250   2.911
   68    HA3  GLY  11           HA1      GLY  10  28.449   2.168   4.383
   69    HA   PRO  12           HA       PRO  11  32.950   1.749   4.516
   70    HB2  PRO  12           HB2      PRO  11  32.617   3.383   6.957
   71    HB3  PRO  12           HB1      PRO  11  33.593   3.694   5.517
   72    HG2  PRO  12           HG2      PRO  11  31.353   5.075   6.008
   73    HG3  PRO  12           HG1      PRO  11  31.827   4.630   4.359
   74    HD2  PRO  12           HD2      PRO  11  29.771   3.383   6.145
   75    HD3  PRO  12           HD1      PRO  11  29.701   3.711   4.401
   76    H    ALA  13           HN       ALA  12  30.643   1.072   7.075
   77    HA   ALA  13           HA       ALA  12  32.479  -0.063   8.919
   78    HB1  ALA  13           HB1      ALA  12  30.124   0.808   9.379
   79    HB2  ALA  13           HB2      ALA  12  30.625  -0.666  10.207
   80    HB3  ALA  13           HB3      ALA  12  29.564  -0.761   8.803
   81    H    SER  14           HN       SER  13  30.552  -1.427   6.280
   82    HA   SER  14           HA       SER  13  31.024  -4.148   6.943
   83    HB2  SER  14           HB2      SER  13  30.177  -4.654   4.708
   84    HB3  SER  14           HB1      SER  13  29.168  -3.433   5.478
   85    HG   SER  14           HG       SER  13  29.832  -1.971   4.074
   86    H    DAL  15           HN       DAL  14  32.901  -1.753   5.252
   87    HA   DAL  15           HA       DAL  14  35.101  -3.646   5.020
   88    HB1  DAL  15           HB1      DAL  14  35.507  -1.430   6.001
   89    HB2  DAL  15           HB2      DAL  14  35.048  -0.679   4.474
   90    HB3  DAL  15           HB3      DAL  14  36.482  -1.701   4.557
   91    H    NVA  16           HN       NVA  15  32.975  -1.729   2.972
   92    HA   NVA  16           HA       NVA  15  34.195  -2.965   0.593
   93    HB2  NVA  16           HB1      NVA  15  31.254  -2.483   1.121
   94    HB3  NVA  16           HB2      NVA  15  32.057  -4.045   1.145
   95    HG2  NVA  16           HG1      NVA  15  32.205  -2.399  -1.333
   96    HG3  NVA  16           HG2      NVA  15  30.708  -3.259  -0.955
   97    HD1  NVA  16           HD1      NVA  15  31.616  -5.282  -1.360
   98    HD2  NVA  16           HD2      NVA  15  33.190  -4.826  -0.708
   99    HD3  NVA  16           HD3      NVA  15  32.738  -4.342  -2.342
  100    HA   PRO  17           HA       PRO  16  34.557   1.243  -0.778
  101    HB2  PRO  17           HB2      PRO  16  35.112   0.782  -3.392
  102    HB3  PRO  17           HB1      PRO  16  36.288   0.517  -2.099
  103    HG2  PRO  17           HG2      PRO  16  34.561  -1.464  -3.529
  104    HG3  PRO  17           HG1      PRO  16  36.264  -1.599  -3.053
  105    HD2  PRO  17           HD2      PRO  16  34.238  -2.746  -1.652
  106    HD3  PRO  17           HD1      PRO  16  35.742  -2.190  -0.894
  107    HA   PRO  18           HA       PRO  17  30.352   2.056  -2.126
  108    HB2  PRO  18           HB2      PRO  17  30.804   4.734  -2.658
  109    HB3  PRO  18           HB1      PRO  17  30.384   4.079  -1.073
  110    HG2  PRO  18           HG2      PRO  17  33.064   4.809  -2.174
  111    HG3  PRO  18           HG1      PRO  17  32.411   5.066  -0.545
  112    HD2  PRO  18           HD2      PRO  17  34.142   3.090  -1.047
  113    HD3  PRO  18           HD1      PRO  17  32.796   2.866   0.092
  114    HA   PRO  19           HA       PRO  18  30.965   1.706  -6.533
  115    HB2  PRO  19           HB2      PRO  18  28.368   1.884  -7.299
  116    HB3  PRO  19           HB1      PRO  18  29.055   0.432  -6.566
  117    HG2  PRO  19           HG2      PRO  18  27.425   2.600  -5.303
  118    HG3  PRO  19           HG1      PRO  18  27.312   0.843  -5.086
  119    HD2  PRO  19           HD2      PRO  18  28.557   2.461  -3.307
  120    HD3  PRO  19           HD1      PRO  18  29.070   0.788  -3.599
  121    H    SER  20           HN       SER  19  31.607   3.221  -7.921
  122    HA   SER  20           HA       SER  19  30.106   5.737  -8.110
  123    HB2  SER  20           HB2      SER  19  33.125   5.548  -7.924
  124    HB3  SER  20           HB1      SER  19  32.198   7.025  -8.180
  125    HG   SER  20           HG       SER  19  32.547   5.516  -5.870
  126    HN1  NH2  21           H2       SER  19  29.547   3.966  -9.919
  127    HN2  NH2  21           H1       SER  19  30.362   4.236 -11.419
  Start of MODEL   25
    1    H1   ACE   1           HA2      ALA   1  19.207   0.461  -6.297
    2    H2   ACE   1           HA3      ALA   1  19.835   1.593  -7.501
    3    H3   ACE   1           HA1      ALA   1  19.745   2.071  -5.800
    4    H    ALA   2           HN       ALA   1  22.111   2.304  -7.180
    5    HA   ALA   2           HA       ALA   1  23.745  -0.022  -6.549
    6    HB1  ALA   2           HB2      ALA   1  25.463   1.964  -7.407
    7    HB2  ALA   2           HB3      ALA   1  23.981   2.278  -8.309
    8    HB3  ALA   2           HB1      ALA   1  24.752   0.696  -8.405
    9    H    TYR   3           HN       TYR   2  23.933   3.479  -5.829
   10    HA   TYR   3           HA       TYR   2  25.812   3.156  -3.729
   11    HB2  TYR   3           HB2      TYR   2  25.436   5.271  -5.043
   12    HB3  TYR   3           HB1      TYR   2  23.942   5.496  -4.139
   13    HD1  TYR   3           HD1      TYR   2  27.587   5.648  -4.015
   14    HD2  TYR   3           HD2      TYR   2  24.004   6.055  -1.754
   15    HE1  TYR   3           HE1      TYR   2  28.847   6.781  -2.234
   16    HE2  TYR   3           HE2      TYR   2  25.258   7.193   0.031
   17    HH   TYR   3           HH       TYR   2  27.810   8.639  -0.141
   18    H    ALA   4           HN       ALA   3  22.284   3.472  -3.791
   19    HA   ALA   4           HA       ALA   3  21.850   3.713  -1.034
   20    HB1  ALA   4           HB1      ALA   3  20.057   2.421  -3.088
   21    HB2  ALA   4           HB2      ALA   3  20.120   4.143  -2.709
   22    HB3  ALA   4           HB3      ALA   3  19.568   2.993  -1.492
   23    H    GLN   5           HN       GLN   4  22.201   0.841  -3.086
   24    HA   GLN   5           HA       GLN   4  21.589  -1.068  -1.084
   25    HB2  GLN   5           HB2      GLN   4  21.645  -1.472  -3.580
   26    HB3  GLN   5           HB1      GLN   4  23.399  -1.494  -3.466
   27    HG2  GLN   5           HG2      GLN   4  22.619  -3.743  -3.473
   28    HG3  GLN   5           HG1      GLN   4  23.215  -3.374  -1.856
   29   HE21  GLN   5          HE21      GLN   4  20.377  -3.939  -3.811
   30   HE22  GLN   5          HE22      GLN   4  19.293  -4.237  -2.498
   31    H    TRP   6           HN       TRP   5  24.571   0.528  -2.078
   32    HA   TRP   6           HA       TRP   5  26.439  -1.020  -0.704
   33    HB2  TRP   6           HB2      TRP   5  27.203   0.618  -2.272
   34    HB3  TRP   6           HB1      TRP   5  26.412   1.921  -1.396
   35    HD1  TRP   6           HD1      TRP   5  29.314  -0.593  -0.837
   36    HE1  TRP   6           HE1      TRP   5  31.094   0.569   0.609
   37    HE3  TRP   6           HE3      TRP   5  26.901   3.830   0.031
   38    HZ2  TRP   6           HZ2      TRP   5  31.436   3.024   1.942
   39    HZ3  TRP   6           HZ3      TRP   5  28.028   5.536   1.403
   40    HH2  TRP   6           HH2      TRP   5  30.250   5.136   2.337
   41    H    LEU   7           HN       LEU   6  24.480   1.720   0.408
   42    HA   LEU   7           HA       LEU   6  25.616   1.920   2.993
   43    HB2  LEU   7           HB2      LEU   6  22.951   2.772   1.873
   44    HB3  LEU   7           HB1      LEU   6  23.415   3.081   3.535
   45    HG   LEU   7           HG       LEU   6  24.906   4.097   1.116
   46   HD11  LEU   7          HD11      LEU   6  22.707   5.224   2.761
   47   HD12  LEU   7          HD12      LEU   6  23.046   5.409   1.041
   48   HD13  LEU   7          HD13      LEU   6  23.989   6.312   2.228
   49   HD21  LEU   7          HD21      LEU   6  26.353   3.787   3.049
   50   HD22  LEU   7          HD22      LEU   6  25.226   4.694   4.057
   51   HD23  LEU   7          HD23      LEU   6  26.084   5.504   2.748
   52    H    ALA   8           HN       ALA   7  22.967   0.002   1.674
   53    HA   ALA   8           HA       ALA   7  21.813  -0.891   4.061
   54    HB1  ALA   8           HB1      ALA   7  20.421  -1.680   2.518
   55    HB2  ALA   8           HB2      ALA   7  21.555  -3.006   2.268
   56    HB3  ALA   8           HB3      ALA   7  21.648  -1.564   1.258
   57    H    ASP   9           HN       ASP   8  24.643  -2.058   2.301
   58    HA   ASP   9           HA       ASP   8  24.940  -4.452   3.834
   59    HB2  ASP   9           HB2      ASP   8  27.171  -3.092   2.328
   60    HB3  ASP   9           HB1      ASP   8  26.964  -4.806   2.660
   61    H    DAL  10           HN       DAL   9  25.615  -1.174   4.511
   62    HA   DAL  10           HA       DAL   9  27.463  -1.941   6.674
   63    HB1  DAL  10           HB1      DAL   9  25.417   0.241   6.933
   64    HB2  DAL  10           HB2      DAL   9  26.350  -0.551   8.203
   65    HB3  DAL  10           HB3      DAL   9  25.074  -1.435   7.367
   66    H    GLY  11           HN       GLY  10  27.550  -0.441   3.853
   67    HA2  GLY  11           HA2      GLY  10  28.741   1.285   2.926
   68    HA3  GLY  11           HA1      GLY  10  28.507   2.163   4.429
   69    HA   PRO  12           HA       PRO  11  33.013   1.713   4.406
   70    HB2  PRO  12           HB2      PRO  11  32.785   3.404   6.816
   71    HB3  PRO  12           HB1      PRO  11  33.704   3.675   5.332
   72    HG2  PRO  12           HG2      PRO  11  31.492   5.084   5.885
   73    HG3  PRO  12           HG1      PRO  11  31.902   4.608   4.227
   74    HD2  PRO  12           HD2      PRO  11  29.905   3.405   6.108
   75    HD3  PRO  12           HD1      PRO  11  29.773   3.705   4.363
   76    H    ALA  13           HN       ALA  12  30.786   1.117   7.058
   77    HA   ALA  13           HA       ALA  12  32.654   0.032   8.886
   78    HB1  ALA  13           HB1      ALA  12  30.491  -1.074   9.820
   79    HB2  ALA  13           HB2      ALA  12  29.680  -0.033   8.651
   80    HB3  ALA  13           HB3      ALA  12  30.695   0.675   9.907
   81    H    SER  14           HN       SER  13  30.642  -1.450   6.365
   82    HA   SER  14           HA       SER  13  31.233  -4.135   7.065
   83    HB2  SER  14           HB2      SER  13  30.353  -4.695   4.820
   84    HB3  SER  14           HB1      SER  13  29.291  -3.599   5.699
   85    HG   SER  14           HG       SER  13  29.753  -3.067   3.429
   86    H    DAL  15           HN       DAL  14  32.979  -1.738   5.249
   87    HA   DAL  15           HA       DAL  14  35.189  -3.610   4.926
   88    HB1  DAL  15           HB1      DAL  14  36.530  -1.646   4.398
   89    HB2  DAL  15           HB2      DAL  14  35.635  -1.405   5.899
   90    HB3  DAL  15           HB3      DAL  14  35.081  -0.639   4.410
   91    H    NVA  16           HN       NVA  15  32.977  -1.684   2.973
   92    HA   NVA  16           HA       NVA  15  34.090  -2.928   0.546
   93    HB2  NVA  16           HB1      NVA  15  31.183  -2.430   1.224
   94    HB3  NVA  16           HB2      NVA  15  31.976  -3.994   1.136
   95    HG2  NVA  16           HG1      NVA  15  32.071  -2.300  -1.293
   96    HG3  NVA  16           HG2      NVA  15  30.517  -3.018  -0.856
   97    HD1  NVA  16           HD1      NVA  15  31.954  -5.196  -0.604
   98    HD2  NVA  16           HD2      NVA  15  33.054  -4.338  -1.683
   99    HD3  NVA  16           HD3      NVA  15  31.396  -4.661  -2.189
  100    HA   PRO  17           HA       PRO  16  34.458   1.292  -0.801
  101    HB2  PRO  17           HB2      PRO  16  35.048   0.836  -3.402
  102    HB3  PRO  17           HB1      PRO  16  36.206   0.546  -2.098
  103    HG2  PRO  17           HG2      PRO  16  34.463  -1.405  -3.552
  104    HG3  PRO  17           HG1      PRO  16  36.165  -1.561  -3.081
  105    HD2  PRO  17           HD2      PRO  16  34.135  -2.697  -1.678
  106    HD3  PRO  17           HD1      PRO  16  35.644  -2.153  -0.922
  107    HA   PRO  18           HA       PRO  17  30.246   2.056  -2.166
  108    HB2  PRO  18           HB2      PRO  17  30.657   4.743  -2.677
  109    HB3  PRO  18           HB1      PRO  17  30.244   4.068  -1.099
  110    HG2  PRO  18           HG2      PRO  17  32.918   4.842  -2.190
  111    HG3  PRO  18           HG1      PRO  17  32.257   5.089  -0.562
  112    HD2  PRO  18           HD2      PRO  17  34.014   3.136  -1.059
  113    HD3  PRO  18           HD1      PRO  17  32.664   2.887   0.069
  114    HA   PRO  19           HA       PRO  18  30.530   1.589  -6.573
  115    HB2  PRO  19           HB2      PRO  18  27.968   3.112  -6.567
  116    HB3  PRO  19           HB1      PRO  18  28.350   1.553  -7.306
  117    HG2  PRO  19           HG2      PRO  18  26.903   1.683  -5.075
  118    HG3  PRO  19           HG1      PRO  18  28.098   0.396  -5.315
  119    HD2  PRO  19           HD2      PRO  18  28.259   2.841  -3.612
  120    HD3  PRO  19           HD1      PRO  18  28.902   1.213  -3.318
  121    H    SER  20           HN       SER  19  31.930   2.815  -7.670
  122    HA   SER  20           HA       SER  19  31.727   5.729  -7.566
  123    HB2  SER  20           HB2      SER  19  33.876   3.933  -8.720
  124    HB3  SER  20           HB1      SER  19  33.946   5.696  -8.676
  125    HG   SER  20           HG       SER  19  34.917   4.263  -6.877
  126    HN1  NH2  21           H2       SER  19  31.157   6.975  -9.261
  127    HN2  NH2  21           H1       SER  19  30.737   6.383 -10.829
  Start of MODEL   26
    1    H1   ACE   1           HA2      ALA   1  19.653   1.172  -6.914
    2    H2   ACE   1           HA3      ALA   1  20.571   2.636  -7.293
    3    H3   ACE   1           HA1      ALA   1  19.858   2.431  -5.688
    4    H    ALA   2           HN       ALA   1  22.612   2.006  -7.594
    5    HA   ALA   2           HA       ALA   1  23.815  -0.200  -6.279
    6    HB1  ALA   2           HB2      ALA   1  24.962   2.051  -7.912
    7    HB2  ALA   2           HB3      ALA   1  24.664   0.385  -8.409
    8    HB3  ALA   2           HB1      ALA   1  25.946   0.745  -7.251
    9    H    TYR   3           HN       TYR   2  24.270   3.322  -5.890
   10    HA   TYR   3           HA       TYR   2  26.081   3.129  -3.729
   11    HB2  TYR   3           HB2      TYR   2  25.696   5.152  -5.200
   12    HB3  TYR   3           HB1      TYR   2  24.223   5.447  -4.283
   13    HD1  TYR   3           HD1      TYR   2  27.867   5.600  -4.251
   14    HD2  TYR   3           HD2      TYR   2  24.338   6.134  -1.929
   15    HE1  TYR   3           HE1      TYR   2  29.165   6.844  -2.575
   16    HE2  TYR   3           HE2      TYR   2  25.634   7.381  -0.247
   17    HH   TYR   3           HH       TYR   2  28.721   7.267   0.156
   18    H    ALA   4           HN       ALA   3  22.555   3.447  -3.866
   19    HA   ALA   4           HA       ALA   3  22.105   3.831  -1.115
   20    HB1  ALA   4           HB1      ALA   3  20.326   2.623  -3.228
   21    HB2  ALA   4           HB2      ALA   3  20.375   4.309  -2.710
   22    HB3  ALA   4           HB3      ALA   3  19.798   3.062  -1.603
   23    H    GLN   5           HN       GLN   4  22.322   0.881  -3.080
   24    HA   GLN   5           HA       GLN   4  21.637  -0.946  -1.036
   25    HB2  GLN   5           HB2      GLN   4  21.683  -1.466  -3.486
   26    HB3  GLN   5           HB1      GLN   4  23.439  -1.448  -3.413
   27    HG2  GLN   5           HG2      GLN   4  23.347  -3.613  -2.962
   28    HG3  GLN   5           HG1      GLN   4  22.685  -3.186  -1.385
   29   HE21  GLN   5          HE21      GLN   4  22.176  -4.938  -4.160
   30   HE22  GLN   5          HE22      GLN   4  20.480  -5.219  -3.997
   31    H    TRP   6           HN       TRP   5  24.687   0.501  -2.045
   32    HA   TRP   6           HA       TRP   5  26.496  -1.047  -0.611
   33    HB2  TRP   6           HB2      TRP   5  27.320   0.545  -2.193
   34    HB3  TRP   6           HB1      TRP   5  26.535   1.880  -1.360
   35    HD1  TRP   6           HD1      TRP   5  29.383  -0.672  -0.669
   36    HE1  TRP   6           HE1      TRP   5  31.158   0.507   0.770
   37    HE3  TRP   6           HE3      TRP   5  27.045   3.826  -0.008
   38    HZ2  TRP   6           HZ2      TRP   5  31.524   3.005   2.019
   39    HZ3  TRP   6           HZ3      TRP   5  28.178   5.558   1.324
   40    HH2  TRP   6           HH2      TRP   5  30.373   5.151   2.316
   41    H    LEU   7           HN       LEU   6  24.601   1.769   0.439
   42    HA   LEU   7           HA       LEU   6  25.705   1.966   3.036
   43    HB2  LEU   7           HB2      LEU   6  23.066   2.863   1.892
   44    HB3  LEU   7           HB1      LEU   6  23.544   3.196   3.545
   45    HG   LEU   7           HG       LEU   6  25.045   4.126   1.097
   46   HD11  LEU   7          HD11      LEU   6  22.675   5.091   1.769
   47   HD12  LEU   7          HD12      LEU   6  23.982   6.135   1.215
   48   HD13  LEU   7          HD13      LEU   6  23.646   5.986   2.939
   49   HD21  LEU   7          HD21      LEU   6  25.407   4.747   4.028
   50   HD22  LEU   7          HD22      LEU   6  26.259   5.543   2.705
   51   HD23  LEU   7          HD23      LEU   6  26.509   3.824   3.006
   52    H    ALA   8           HN       ALA   7  22.990   0.143   1.709
   53    HA   ALA   8           HA       ALA   7  21.825  -0.724   4.105
   54    HB1  ALA   8           HB1      ALA   7  20.516  -2.089   2.819
   55    HB2  ALA   8           HB2      ALA   7  21.843  -2.541   1.749
   56    HB3  ALA   8           HB3      ALA   7  21.080  -0.959   1.588
   57    H    ASP   9           HN       ASP   8  24.561  -1.999   2.268
   58    HA   ASP   9           HA       ASP   8  24.799  -4.413   3.776
   59    HB2  ASP   9           HB2      ASP   8  27.031  -3.105   2.219
   60    HB3  ASP   9           HB1      ASP   8  26.810  -4.814   2.575
   61    H    DAL  10           HN       DAL   9  25.610  -1.170   4.467
   62    HA   DAL  10           HA       DAL   9  27.489  -2.015   6.571
   63    HB1  DAL  10           HB1      DAL   9  24.899  -0.839   6.860
   64    HB2  DAL  10           HB2      DAL   9  26.121   0.261   7.496
   65    HB3  DAL  10           HB3      DAL   9  26.018  -1.391   8.107
   66    H    GLY  11           HN       GLY  10  27.575  -0.504   3.785
   67    HA2  GLY  11           HA2      GLY  10  28.809   1.190   2.854
   68    HA3  GLY  11           HA1      GLY  10  28.503   2.107   4.321
   69    HA   PRO  12           HA       PRO  11  33.007   1.741   4.544
   70    HB2  PRO  12           HB2      PRO  11  32.609   3.373   6.976
   71    HB3  PRO  12           HB1      PRO  11  33.604   3.696   5.552
   72    HG2  PRO  12           HG2      PRO  11  31.337   5.046   6.008
   73    HG3  PRO  12           HG1      PRO  11  31.846   4.613   4.366
   74    HD2  PRO  12           HD2      PRO  11  29.775   3.334   6.111
   75    HD3  PRO  12           HD1      PRO  11  29.734   3.665   4.367
   76    H    ALA  13           HN       ALA  12  30.649   1.031   7.048
   77    HA   ALA  13           HA       ALA  12  32.454  -0.072   8.942
   78    HB1  ALA  13           HB1      ALA  12  30.254   0.723   9.597
   79    HB2  ALA  13           HB2      ALA  12  30.460  -0.973  10.034
   80    HB3  ALA  13           HB3      ALA  12  29.492  -0.536   8.625
   81    H    SER  14           HN       SER  13  30.617  -1.483   6.258
   82    HA   SER  14           HA       SER  13  31.200  -4.187   6.953
   83    HB2  SER  14           HB2      SER  13  30.397  -4.705   4.649
   84    HB3  SER  14           HB1      SER  13  29.273  -3.714   5.574
   85    HG   SER  14           HG       SER  13  30.890  -3.012   3.395
   86    H    DAL  15           HN       DAL  14  32.958  -1.717   5.274
   87    HA   DAL  15           HA       DAL  14  35.224  -3.503   4.988
   88    HB1  DAL  15           HB1      DAL  14  36.457  -1.463   4.358
   89    HB2  DAL  15           HB2      DAL  14  35.617  -1.296   5.899
   90    HB3  DAL  15           HB3      DAL  14  34.952  -0.547   4.447
   91    H    NVA  16           HN       NVA  15  33.030  -1.665   2.914
   92    HA   NVA  16           HA       NVA  15  34.221  -2.978   0.561
   93    HB2  NVA  16           HB1      NVA  15  31.294  -2.523   1.172
   94    HB3  NVA  16           HB2      NVA  15  32.121  -4.070   1.086
   95    HG2  NVA  16           HG1      NVA  15  32.622  -3.465  -1.349
   96    HG3  NVA  16           HG2      NVA  15  31.391  -2.212  -1.151
   97    HD1  NVA  16           HD1      NVA  15  30.553  -4.838  -0.192
   98    HD2  NVA  16           HD2      NVA  15  30.922  -4.795  -1.916
   99    HD3  NVA  16           HD3      NVA  15  29.721  -3.693  -1.244
  100    HA   PRO  17           HA       PRO  16  34.624   1.183  -0.933
  101    HB2  PRO  17           HB2      PRO  16  35.083   0.632  -3.556
  102    HB3  PRO  17           HB1      PRO  16  36.300   0.413  -2.295
  103    HG2  PRO  17           HG2      PRO  16  34.521  -1.617  -3.586
  104    HG3  PRO  17           HG1      PRO  16  36.240  -1.739  -3.166
  105    HD2  PRO  17           HD2      PRO  16  34.285  -2.836  -1.647
  106    HD3  PRO  17           HD1      PRO  16  35.798  -2.217  -0.958
  107    HA   PRO  18           HA       PRO  17  30.361   1.991  -2.127
  108    HB2  PRO  18           HB2      PRO  17  30.832   4.666  -2.697
  109    HB3  PRO  18           HB1      PRO  17  30.409   4.023  -1.108
  110    HG2  PRO  18           HG2      PRO  17  33.089   4.734  -2.219
  111    HG3  PRO  18           HG1      PRO  17  32.449   4.980  -0.583
  112    HD2  PRO  18           HD2      PRO  17  34.167   3.000  -1.113
  113    HD3  PRO  18           HD1      PRO  17  32.828   2.771   0.032
  114    HA   PRO  19           HA       PRO  18  30.854   1.738  -6.555
  115    HB2  PRO  19           HB2      PRO  18  28.256   1.575  -7.226
  116    HB3  PRO  19           HB1      PRO  18  29.099   0.244  -6.424
  117    HG2  PRO  19           HG2      PRO  18  27.252   2.287  -5.265
  118    HG3  PRO  19           HG1      PRO  18  27.359   0.552  -4.924
  119    HD2  PRO  19           HD2      PRO  18  28.459   2.512  -3.339
  120    HD3  PRO  19           HD1      PRO  18  29.041   0.838  -3.402
  121    H    SER  20           HN       SER  19  31.475   3.479  -7.672
  122    HA   SER  20           HA       SER  19  29.535   5.568  -8.256
  123    HB2  SER  20           HB2      SER  19  32.121   6.051  -6.792
  124    HB3  SER  20           HB1      SER  19  31.387   7.313  -7.781
  125    HG   SER  20           HG       SER  19  30.478   6.152  -5.399
  126    HN1  NH2  21           H2       SER  19  33.015   4.868  -8.650
  127    HN2  NH2  21           H1       SER  19  33.035   5.083 -10.364
  Start of MODEL   27
    1    H1   ACE   1           HA2      ALA   1  20.205   2.433  -7.946
    2    H2   ACE   1           HA3      ALA   1  20.151   3.264  -6.386
    3    H3   ACE   1           HA1      ALA   1  20.101   1.496  -6.449
    4    H    ALA   2           HN       ALA   1  21.962   0.376  -6.456
    5    HA   ALA   2           HA       ALA   1  24.179  -0.123  -6.463
    6    HB1  ALA   2           HB2      ALA   1  24.005   1.936  -8.373
    7    HB2  ALA   2           HB3      ALA   1  25.288   0.744  -8.174
    8    HB3  ALA   2           HB1      ALA   1  25.402   2.304  -7.361
    9    H    TYR   3           HN       TYR   2  24.198   3.399  -5.811
   10    HA   TYR   3           HA       TYR   2  26.018   3.139  -3.644
   11    HB2  TYR   3           HB2      TYR   2  25.710   5.197  -5.069
   12    HB3  TYR   3           HB1      TYR   2  24.203   5.489  -4.207
   13    HD1  TYR   3           HD1      TYR   2  27.838   5.628  -4.038
   14    HD2  TYR   3           HD2      TYR   2  24.235   6.100  -1.823
   15    HE1  TYR   3           HE1      TYR   2  29.081   6.816  -2.280
   16    HE2  TYR   3           HE2      TYR   2  25.471   7.290  -0.061
   17    HH   TYR   3           HH       TYR   2  28.048   8.731  -0.269
   18    H    ALA   4           HN       ALA   3  22.498   3.508  -3.845
   19    HA   ALA   4           HA       ALA   3  21.984   3.847  -1.104
   20    HB1  ALA   4           HB1      ALA   3  19.695   3.139  -1.631
   21    HB2  ALA   4           HB2      ALA   3  20.235   2.589  -3.218
   22    HB3  ALA   4           HB3      ALA   3  20.307   4.303  -2.806
   23    H    GLN   5           HN       GLN   4  22.313   0.931  -3.090
   24    HA   GLN   5           HA       GLN   4  21.602  -0.918  -1.057
   25    HB2  GLN   5           HB2      GLN   4  22.632  -1.026  -3.788
   26    HB3  GLN   5           HB1      GLN   4  23.310  -2.285  -2.765
   27    HG2  GLN   5           HG2      GLN   4  21.339  -3.088  -3.906
   28    HG3  GLN   5           HG1      GLN   4  21.056  -3.015  -2.168
   29   HE21  GLN   5          HE21      GLN   4  19.503  -1.663  -1.368
   30   HE22  GLN   5          HE22      GLN   4  18.430  -0.746  -2.364
   31    H    TRP   6           HN       TRP   5  24.640   0.564  -2.058
   32    HA   TRP   6           HA       TRP   5  26.448  -1.020  -0.646
   33    HB2  TRP   6           HB2      TRP   5  27.289   0.561  -2.227
   34    HB3  TRP   6           HB1      TRP   5  26.515   1.905  -1.399
   35    HD1  TRP   6           HD1      TRP   5  29.343  -0.666  -0.721
   36    HE1  TRP   6           HE1      TRP   5  31.124   0.488   0.729
   37    HE3  TRP   6           HE3      TRP   5  27.031   3.842  -0.016
   38    HZ2  TRP   6           HZ2      TRP   5  31.507   2.970   2.001
   39    HZ3  TRP   6           HZ3      TRP   5  28.179   5.553   1.332
   40    HH2  TRP   6           HH2      TRP   5  30.371   5.122   2.318
   41    H    LEU   7           HN       LEU   6  24.548   1.783   0.407
   42    HA   LEU   7           HA       LEU   6  25.670   1.989   2.999
   43    HB2  LEU   7           HB2      LEU   6  23.034   2.899   1.858
   44    HB3  LEU   7           HB1      LEU   6  23.517   3.232   3.510
   45    HG   LEU   7           HG       LEU   6  25.037   4.144   1.066
   46   HD11  LEU   7          HD11      LEU   6  24.163   6.412   2.109
   47   HD12  LEU   7          HD12      LEU   6  22.849   5.369   2.652
   48   HD13  LEU   7          HD13      LEU   6  23.217   5.502   0.932
   49   HD21  LEU   7          HD21      LEU   6  26.474   3.869   2.999
   50   HD22  LEU   7          HD22      LEU   6  25.352   4.792   3.997
   51   HD23  LEU   7          HD23      LEU   6  26.220   5.584   2.681
   52    H    ALA   8           HN       ALA   7  22.948   0.164   1.684
   53    HA   ALA   8           HA       ALA   7  21.783  -0.681   4.087
   54    HB1  ALA   8           HB1      ALA   7  20.391  -1.191   2.381
   55    HB2  ALA   8           HB2      ALA   7  21.208  -2.751   2.483
   56    HB3  ALA   8           HB3      ALA   7  21.708  -1.571   1.271
   57    H    ASP   9           HN       ASP   8  24.542  -1.948   2.289
   58    HA   ASP   9           HA       ASP   8  24.764  -4.366   3.798
   59    HB2  ASP   9           HB2      ASP   8  27.011  -3.052   2.268
   60    HB3  ASP   9           HB1      ASP   8  26.794  -4.759   2.625
   61    H    DAL  10           HN       DAL   9  25.553  -1.121   4.507
   62    HA   DAL  10           HA       DAL   9  27.407  -1.965   6.632
   63    HB1  DAL  10           HB1      DAL   9  26.359  -0.484   8.179
   64    HB2  DAL  10           HB2      DAL   9  25.102  -1.486   7.455
   65    HB3  DAL  10           HB3      DAL   9  25.317   0.182   6.921
   66    H    GLY  11           HN       GLY  10  27.529  -0.462   3.843
   67    HA2  GLY  11           HA2      GLY  10  28.724   1.264   2.921
   68    HA3  GLY  11           HA1      GLY  10  28.508   2.136   4.430
   69    HA   PRO  12           HA       PRO  11  33.009   1.626   4.405
   70    HB2  PRO  12           HB2      PRO  11  32.797   3.259   6.859
   71    HB3  PRO  12           HB1      PRO  11  33.723   3.555   5.383
   72    HG2  PRO  12           HG2      PRO  11  31.529   4.977   5.969
   73    HG3  PRO  12           HG1      PRO  11  31.937   4.541   4.300
   74    HD2  PRO  12           HD2      PRO  11  29.917   3.318   6.140
   75    HD3  PRO  12           HD1      PRO  11  29.798   3.660   4.402
   76    H    ALA  13           HN       ALA  12  30.776   1.004   7.051
   77    HA   ALA  13           HA       ALA  12  32.631  -0.162   8.843
   78    HB1  ALA  13           HB1      ALA  12  30.692   0.482   9.896
   79    HB2  ALA  13           HB2      ALA  12  30.444  -1.257   9.748
   80    HB3  ALA  13           HB3      ALA  12  29.655  -0.156   8.619
   81    H    SER  14           HN       SER  13  30.571  -1.551   6.303
   82    HA   SER  14           HA       SER  13  31.104  -4.259   6.926
   83    HB2  SER  14           HB2      SER  13  30.209  -4.755   4.687
   84    HB3  SER  14           HB1      SER  13  29.190  -3.605   5.547
   85    HG   SER  14           HG       SER  13  29.710  -2.079   4.158
   86    H    DAL  15           HN       DAL  14  32.917  -1.862   5.170
   87    HA   DAL  15           HA       DAL  14  35.107  -3.751   4.858
   88    HB1  DAL  15           HB1      DAL  14  36.453  -1.790   4.296
   89    HB2  DAL  15           HB2      DAL  14  35.576  -1.550   5.807
   90    HB3  DAL  15           HB3      DAL  14  35.005  -0.783   4.326
   91    H    NVA  16           HN       NVA  15  32.933  -1.814   2.870
   92    HA   NVA  16           HA       NVA  15  34.038  -3.107   0.464
   93    HB2  NVA  16           HB1      NVA  15  31.140  -2.549   1.128
   94    HB3  NVA  16           HB2      NVA  15  31.904  -4.128   1.029
   95    HG2  NVA  16           HG1      NVA  15  32.404  -3.527  -1.411
   96    HG3  NVA  16           HG2      NVA  15  31.214  -2.239  -1.192
   97    HD1  NVA  16           HD1      NVA  15  30.169  -4.205  -2.147
   98    HD2  NVA  16           HD2      NVA  15  29.553  -3.918  -0.520
   99    HD3  NVA  16           HD3      NVA  15  30.744  -5.189  -0.801
  100    HA   PRO  17           HA       PRO  16  34.543   1.077  -0.934
  101    HB2  PRO  17           HB2      PRO  16  35.005   0.575  -3.562
  102    HB3  PRO  17           HB1      PRO  16  36.206   0.281  -2.300
  103    HG2  PRO  17           HG2      PRO  16  34.370  -1.652  -3.658
  104    HG3  PRO  17           HG1      PRO  16  36.080  -1.842  -3.231
  105    HD2  PRO  17           HD2      PRO  16  34.068  -2.908  -1.756
  106    HD3  PRO  17           HD1      PRO  16  35.605  -2.379  -1.044
  107    HA   PRO  18           HA       PRO  17  30.322   2.016  -2.166
  108    HB2  PRO  18           HB2      PRO  17  30.815   4.700  -2.609
  109    HB3  PRO  18           HB1      PRO  17  30.424   3.996  -1.037
  110    HG2  PRO  18           HG2      PRO  17  33.090   4.713  -2.186
  111    HG3  PRO  18           HG1      PRO  17  32.485   4.933  -0.533
  112    HD2  PRO  18           HD2      PRO  17  34.160   2.939  -1.146
  113    HD3  PRO  18           HD1      PRO  17  32.847   2.709   0.029
  114    HA   PRO  19           HA       PRO  18  30.868   1.817  -6.596
  115    HB2  PRO  19           HB2      PRO  18  28.260   2.046  -7.312
  116    HB3  PRO  19           HB1      PRO  18  28.943   0.562  -6.640
  117    HG2  PRO  19           HG2      PRO  18  27.358   2.703  -5.277
  118    HG3  PRO  19           HG1      PRO  18  27.225   0.942  -5.121
  119    HD2  PRO  19           HD2      PRO  18  28.517   2.481  -3.304
  120    HD3  PRO  19           HD1      PRO  18  29.003   0.812  -3.664
  121    H    SER  20           HN       SER  19  31.864   3.600  -7.371
  122    HA   SER  20           HA       SER  19  30.187   5.885  -8.076
  123    HB2  SER  20           HB2      SER  19  32.743   6.085  -6.471
  124    HB3  SER  20           HB1      SER  19  32.010   7.457  -7.304
  125    HG   SER  20           HG       SER  19  30.405   7.485  -5.887
  126    HN1  NH2  21           H2       SER  19  30.350   5.711 -10.233
  127    HN2  NH2  21           H1       SER  19  31.831   5.644 -11.120
  Start of MODEL   28
    1    H1   ACE   1           HA2      ALA   1  19.836   1.985  -6.238
    2    H2   ACE   1           HA3      ALA   1  19.289   0.361  -6.639
    3    H3   ACE   1           HA1      ALA   1  19.673   1.534  -7.931
    4    H    ALA   2           HN       ALA   1  21.964   2.467  -6.169
    5    HA   ALA   2           HA       ALA   1  23.796   0.194  -6.449
    6    HB1  ALA   2           HB2      ALA   1  24.392   1.148  -8.432
    7    HB2  ALA   2           HB3      ALA   1  25.448   2.061  -7.354
    8    HB3  ALA   2           HB1      ALA   1  23.936   2.773  -7.918
    9    H    TYR   3           HN       TYR   2  24.091   3.683  -5.698
   10    HA   TYR   3           HA       TYR   2  25.962   3.292  -3.624
   11    HB2  TYR   3           HB2      TYR   2  25.577   5.433  -4.906
   12    HB3  TYR   3           HB1      TYR   2  24.126   5.674  -3.938
   13    HD1  TYR   3           HD1      TYR   2  27.774   5.758  -3.960
   14    HD2  TYR   3           HD2      TYR   2  24.293   6.190  -1.550
   15    HE1  TYR   3           HE1      TYR   2  29.125   6.842  -2.215
   16    HE2  TYR   3           HE2      TYR   2  25.637   7.276   0.202
   17    HH   TYR   3           HH       TYR   2  28.218   8.681  -0.060
   18    H    ALA   4           HN       ALA   3  22.438   3.686  -3.600
   19    HA   ALA   4           HA       ALA   3  22.090   3.842  -0.815
   20    HB1  ALA   4           HB1      ALA   3  20.313   4.442  -2.344
   21    HB2  ALA   4           HB2      ALA   3  19.763   3.162  -1.262
   22    HB3  ALA   4           HB3      ALA   3  20.214   2.779  -2.924
   23    H    GLN   5           HN       GLN   4  22.255   1.074  -3.019
   24    HA   GLN   5           HA       GLN   4  21.614  -0.926  -1.129
   25    HB2  GLN   5           HB2      GLN   4  21.714  -1.104  -3.693
   26    HB3  GLN   5           HB1      GLN   4  23.444  -1.340  -3.487
   27    HG2  GLN   5           HG2      GLN   4  21.884  -3.069  -1.759
   28    HG3  GLN   5           HG1      GLN   4  21.502  -3.296  -3.465
   29   HE21  GLN   5          HE21      GLN   4  23.309  -3.724  -4.919
   30   HE22  GLN   5          HE22      GLN   4  24.680  -4.588  -4.319
   31    H    TRP   6           HN       TRP   5  24.625   0.650  -2.038
   32    HA   TRP   6           HA       TRP   5  26.459  -1.027  -0.752
   33    HB2  TRP   6           HB2      TRP   5  27.280   0.632  -2.265
   34    HB3  TRP   6           HB1      TRP   5  26.516   1.932  -1.361
   35    HD1  TRP   6           HD1      TRP   5  29.327  -0.692  -0.773
   36    HE1  TRP   6           HE1      TRP   5  31.140   0.418   0.675
   37    HE3  TRP   6           HE3      TRP   5  27.096   3.846   0.002
   38    HZ2  TRP   6           HZ2      TRP   5  31.573   2.881   1.972
   39    HZ3  TRP   6           HZ3      TRP   5  28.283   5.523   1.358
   40    HH2  TRP   6           HH2      TRP   5  30.473   5.048   2.321
   41    H    LEU   7           HN       LEU   6  24.647   1.780   0.458
   42    HA   LEU   7           HA       LEU   6  25.794   1.844   3.037
   43    HB2  LEU   7           HB2      LEU   6  23.157   2.835   1.970
   44    HB3  LEU   7           HB1      LEU   6  23.650   3.080   3.635
   45    HG   LEU   7           HG       LEU   6  25.123   4.115   1.210
   46   HD11  LEU   7          HD11      LEU   6  24.387   6.334   2.312
   47   HD12  LEU   7          HD12      LEU   6  23.152   5.347   3.093
   48   HD13  LEU   7          HD13      LEU   6  23.226   5.437   1.333
   49   HD21  LEU   7          HD21      LEU   6  26.409   5.408   2.885
   50   HD22  LEU   7          HD22      LEU   6  26.657   3.666   3.018
   51   HD23  LEU   7          HD23      LEU   6  25.605   4.498   4.164
   52    H    ALA   8           HN       ALA   7  23.092   0.044   1.674
   53    HA   ALA   8           HA       ALA   7  21.892  -0.855   4.036
   54    HB1  ALA   8           HB1      ALA   7  20.487  -1.583   2.478
   55    HB2  ALA   8           HB2      ALA   7  21.593  -2.925   2.191
   56    HB3  ALA   8           HB3      ALA   7  21.718  -1.457   1.223
   57    H    ASP   9           HN       ASP   8  24.675  -2.109   2.250
   58    HA   ASP   9           HA       ASP   8  24.891  -4.522   3.767
   59    HB2  ASP   9           HB2      ASP   8  27.192  -3.260   2.290
   60    HB3  ASP   9           HB1      ASP   8  26.862  -4.967   2.559
   61    H    DAL  10           HN       DAL   9  25.693  -1.281   4.461
   62    HA   DAL  10           HA       DAL   9  27.561  -2.116   6.580
   63    HB1  DAL  10           HB1      DAL   9  25.460  -1.730   7.638
   64    HB2  DAL  10           HB2      DAL   9  25.251  -0.196   6.794
   65    HB3  DAL  10           HB3      DAL   9  26.508  -0.364   8.017
   66    H    GLY  11           HN       GLY  10  27.644  -0.600   3.791
   67    HA2  GLY  11           HA2      GLY  10  28.817   1.142   2.868
   68    HA3  GLY  11           HA1      GLY  10  28.597   2.006   4.380
   69    HA   PRO  12           HA       PRO  11  33.101   1.555   4.352
   70    HB2  PRO  12           HB2      PRO  11  32.860   3.148   6.830
   71    HB3  PRO  12           HB1      PRO  11  33.788   3.479   5.364
   72    HG2  PRO  12           HG2      PRO  11  31.575   4.864   5.959
   73    HG3  PRO  12           HG1      PRO  11  31.992   4.452   4.285
   74    HD2  PRO  12           HD2      PRO  11  29.986   3.181   6.109
   75    HD3  PRO  12           HD1      PRO  11  29.864   3.545   4.375
   76    H    ALA  13           HN       ALA  12  30.863   0.846   6.966
   77    HA   ALA  13           HA       ALA  12  32.742  -0.338   8.734
   78    HB1  ALA  13           HB1      ALA  12  30.710  -1.321   9.822
   79    HB2  ALA  13           HB2      ALA  12  29.747  -0.577   8.544
   80    HB3  ALA  13           HB3      ALA  12  30.686   0.433   9.643
   81    H    SER  14           HN       SER  13  30.715  -1.649   6.136
   82    HA   SER  14           HA       SER  13  31.219  -4.380   6.721
   83    HB2  SER  14           HB2      SER  13  30.340  -4.822   4.458
   84    HB3  SER  14           HB1      SER  13  29.310  -3.707   5.350
   85    HG   SER  14           HG       SER  13  30.952  -3.245   3.139
   86    H    DAL  15           HN       DAL  14  33.036  -1.947   5.018
   87    HA   DAL  15           HA       DAL  14  35.235  -3.821   4.689
   88    HB1  DAL  15           HB1      DAL  14  36.553  -1.823   4.110
   89    HB2  DAL  15           HB2      DAL  14  35.726  -1.654   5.659
   90    HB3  DAL  15           HB3      DAL  14  35.091  -0.843   4.228
   91    H    NVA  16           HN       NVA  15  33.078  -1.855   2.700
   92    HA   NVA  16           HA       NVA  15  34.220  -3.102   0.291
   93    HB2  NVA  16           HB1      NVA  15  31.291  -2.629   0.887
   94    HB3  NVA  16           HB2      NVA  15  32.100  -4.189   0.879
   95    HG2  NVA  16           HG1      NVA  15  32.608  -3.848  -1.532
   96    HG3  NVA  16           HG2      NVA  15  31.626  -2.380  -1.481
   97    HD1  NVA  16           HD1      NVA  15  29.725  -3.537  -1.594
   98    HD2  NVA  16           HD2      NVA  15  30.256  -4.688  -0.368
   99    HD3  NVA  16           HD3      NVA  15  30.724  -4.915  -2.053
  100    HA   PRO  17           HA       PRO  16  34.591   1.097  -1.090
  101    HB2  PRO  17           HB2      PRO  16  34.983   0.626  -3.738
  102    HB3  PRO  17           HB1      PRO  16  36.229   0.360  -2.514
  103    HG2  PRO  17           HG2      PRO  16  34.404  -1.619  -3.821
  104    HG3  PRO  17           HG1      PRO  16  36.134  -1.762  -3.454
  105    HD2  PRO  17           HD2      PRO  16  34.217  -2.898  -1.916
  106    HD3  PRO  17           HD1      PRO  16  35.749  -2.301  -1.247
  107    HA   PRO  18           HA       PRO  17  30.314   1.967  -2.172
  108    HB2  PRO  18           HB2      PRO  17  30.764   4.663  -2.616
  109    HB3  PRO  18           HB1      PRO  17  30.407   3.944  -1.044
  110    HG2  PRO  18           HG2      PRO  17  33.043   4.703  -2.229
  111    HG3  PRO  18           HG1      PRO  17  32.464   4.894  -0.563
  112    HD2  PRO  18           HD2      PRO  17  34.154   2.931  -1.224
  113    HD3  PRO  18           HD1      PRO  17  32.856   2.665  -0.040
  114    HA   PRO  19           HA       PRO  18  30.686   2.008  -6.617
  115    HB2  PRO  19           HB2      PRO  18  28.083   1.846  -7.232
  116    HB3  PRO  19           HB1      PRO  18  28.940   0.492  -6.485
  117    HG2  PRO  19           HG2      PRO  18  27.100   2.491  -5.240
  118    HG3  PRO  19           HG1      PRO  18  27.232   0.749  -4.941
  119    HD2  PRO  19           HD2      PRO  18  28.358   2.717  -3.354
  120    HD3  PRO  19           HD1      PRO  18  28.897   1.030  -3.410
  121    H    SER  20           HN       SER  19  31.509   4.275  -6.458
  122    HA   SER  20           HA       SER  19  29.474   6.245  -7.274
  123    HB2  SER  20           HB2      SER  19  32.061   6.553  -5.763
  124    HB3  SER  20           HB1      SER  19  31.314   7.924  -6.583
  125    HG   SER  20           HG       SER  19  30.224   8.075  -4.787
  126    HN1  NH2  21           H2       SER  19  32.927   5.496  -7.772
  127    HN2  NH2  21           H1       SER  19  32.960   5.959  -9.436
  Start of MODEL   29
    1    H1   ACE   1           HA2      ALA   1  19.986   0.355  -7.340
    2    H2   ACE   1           HA3      ALA   1  20.536   2.002  -7.002
    3    H3   ACE   1           HA1      ALA   1  19.805   1.032  -5.715
    4    H    ALA   2           HN       ALA   1  22.679   1.830  -7.403
    5    HA   ALA   2           HA       ALA   1  24.214  -0.408  -6.397
    6    HB1  ALA   2           HB2      ALA   1  24.929   2.045  -7.979
    7    HB2  ALA   2           HB3      ALA   1  24.921   0.362  -8.504
    8    HB3  ALA   2           HB1      ALA   1  26.150   0.928  -7.372
    9    H    TYR   3           HN       TYR   2  24.410   3.135  -5.954
   10    HA   TYR   3           HA       TYR   2  26.167   2.984  -3.736
   11    HB2  TYR   3           HB2      TYR   2  25.849   4.977  -5.250
   12    HB3  TYR   3           HB1      TYR   2  24.327   5.281  -4.419
   13    HD1  TYR   3           HD1      TYR   2  27.951   5.508  -4.225
   14    HD2  TYR   3           HD2      TYR   2  24.322   5.967  -2.048
   15    HE1  TYR   3           HE1      TYR   2  29.150   6.797  -2.508
   16    HE2  TYR   3           HE2      TYR   2  25.515   7.257  -0.326
   17    HH   TYR   3           HH       TYR   2  27.944   7.423   0.508
   18    H    ALA   4           HN       ALA   3  22.646   3.277  -4.012
   19    HA   ALA   4           HA       ALA   3  22.076   3.733  -1.301
   20    HB1  ALA   4           HB1      ALA   3  20.406   2.386  -3.421
   21    HB2  ALA   4           HB2      ALA   3  20.406   4.099  -2.998
   22    HB3  ALA   4           HB3      ALA   3  19.809   2.907  -1.845
   23    H    GLN   5           HN       GLN   4  22.444   0.714  -3.136
   24    HA   GLN   5           HA       GLN   4  21.722  -1.041  -1.040
   25    HB2  GLN   5           HB2      GLN   4  21.801  -1.745  -3.395
   26    HB3  GLN   5           HB1      GLN   4  23.546  -1.527  -3.407
   27    HG2  GLN   5           HG2      GLN   4  22.988  -3.866  -3.204
   28    HG3  GLN   5           HG1      GLN   4  23.773  -3.297  -1.731
   29   HE21  GLN   5          HE21      GLN   4  22.773  -3.602   0.160
   30   HE22  GLN   5          HE22      GLN   4  21.153  -4.174   0.346
   31    H    TRP   6           HN       TRP   5  24.804   0.360  -2.058
   32    HA   TRP   6           HA       TRP   5  26.575  -1.066  -0.478
   33    HB2  TRP   6           HB2      TRP   5  27.414   0.459  -2.125
   34    HB3  TRP   6           HB1      TRP   5  26.613   1.824  -1.359
   35    HD1  TRP   6           HD1      TRP   5  29.450  -0.693  -0.526
   36    HE1  TRP   6           HE1      TRP   5  31.200   0.540   0.898
   37    HE3  TRP   6           HE3      TRP   5  27.095   3.822  -0.066
   38    HZ2  TRP   6           HZ2      TRP   5  31.542   3.081   2.065
   39    HZ3  TRP   6           HZ3      TRP   5  28.204   5.603   1.223
   40    HH2  TRP   6           HH2      TRP   5  30.381   5.236   2.266
   41    H    LEU   7           HN       LEU   6  24.640   1.794   0.366
   42    HA   LEU   7           HA       LEU   6  25.663   2.123   2.983
   43    HB2  LEU   7           HB2      LEU   6  23.065   2.961   1.704
   44    HB3  LEU   7           HB1      LEU   6  23.475   3.368   3.359
   45    HG   LEU   7           HG       LEU   6  25.073   4.194   0.935
   46   HD11  LEU   7          HD11      LEU   6  22.837   5.462   2.415
   47   HD12  LEU   7          HD12      LEU   6  23.264   5.550   0.705
   48   HD13  LEU   7          HD13      LEU   6  24.167   6.495   1.889
   49   HD21  LEU   7          HD21      LEU   6  26.457   3.985   2.917
   50   HD22  LEU   7          HD22      LEU   6  25.311   4.950   3.846
   51   HD23  LEU   7          HD23      LEU   6  26.215   5.688   2.525
   52    H    ALA   8           HN       ALA   7  22.949   0.269   1.679
   53    HA   ALA   8           HA       ALA   7  21.758  -0.495   4.102
   54    HB1  ALA   8           HB1      ALA   7  20.494  -2.007   2.865
   55    HB2  ALA   8           HB2      ALA   7  21.785  -2.278   1.694
   56    HB3  ALA   8           HB3      ALA   7  20.896  -0.756   1.690
   57    H    ASP   9           HN       ASP   8  24.500  -1.841   2.334
   58    HA   ASP   9           HA       ASP   8  24.681  -4.230   3.890
   59    HB2  ASP   9           HB2      ASP   8  26.905  -2.948   2.290
   60    HB3  ASP   9           HB1      ASP   8  26.761  -4.637   2.760
   61    H    DAL  10           HN       DAL   9  25.521  -0.980   4.526
   62    HA   DAL  10           HA       DAL   9  27.365  -1.803   6.670
   63    HB1  DAL  10           HB1      DAL   9  24.893  -1.165   7.268
   64    HB2  DAL  10           HB2      DAL   9  25.503   0.482   7.100
   65    HB3  DAL  10           HB3      DAL   9  26.235  -0.615   8.271
   66    H    GLY  11           HN       GLY  10  27.541  -0.377   3.874
   67    HA2  GLY  11           HA2      GLY  10  28.728   1.349   2.931
   68    HA3  GLY  11           HA1      GLY  10  28.471   2.255   4.415
   69    HA   PRO  12           HA       PRO  11  32.972   1.799   4.516
   70    HB2  PRO  12           HB2      PRO  11  32.675   3.442   6.955
   71    HB3  PRO  12           HB1      PRO  11  33.638   3.742   5.507
   72    HG2  PRO  12           HG2      PRO  11  31.414   5.142   6.017
   73    HG3  PRO  12           HG1      PRO  11  31.870   4.693   4.364
   74    HD2  PRO  12           HD2      PRO  11  29.819   3.463   6.165
   75    HD3  PRO  12           HD1      PRO  11  29.738   3.792   4.422
   76    H    ALA  13           HN       ALA  12  30.678   1.160   7.103
   77    HA   ALA  13           HA       ALA  12  32.514   0.005   8.933
   78    HB1  ALA  13           HB1      ALA  12  30.201   0.895   9.450
   79    HB2  ALA  13           HB2      ALA  12  30.642  -0.635  10.209
   80    HB3  ALA  13           HB3      ALA  12  29.577  -0.624   8.804
   81    H    SER  14           HN       SER  13  30.573  -1.340   6.294
   82    HA   SER  14           HA       SER  13  31.003  -4.067   6.953
   83    HB2  SER  14           HB2      SER  13  30.174  -4.561   4.715
   84    HB3  SER  14           HB1      SER  13  29.185  -3.304   5.453
   85    HG   SER  14           HG       SER  13  29.938  -1.865   4.059
   86    H    DAL  15           HN       DAL  14  32.942  -1.702   5.283
   87    HA   DAL  15           HA       DAL  14  35.119  -3.624   5.094
   88    HB1  DAL  15           HB1      DAL  14  35.591  -1.440   6.061
   89    HB2  DAL  15           HB2      DAL  14  35.075  -0.652   4.568
   90    HB3  DAL  15           HB3      DAL  14  36.513  -1.674   4.575
   91    H    NVA  16           HN       NVA  15  33.045  -1.701   2.999
   92    HA   NVA  16           HA       NVA  15  34.288  -2.960   0.644
   93    HB2  NVA  16           HB1      NVA  15  31.342  -2.520   1.180
   94    HB3  NVA  16           HB2      NVA  15  32.172  -4.068   1.134
   95    HG2  NVA  16           HG1      NVA  15  32.396  -2.419  -1.302
   96    HG3  NVA  16           HG2      NVA  15  30.793  -3.060  -0.933
   97    HD1  NVA  16           HD1      NVA  15  31.976  -4.597  -2.365
   98    HD2  NVA  16           HD2      NVA  15  31.775  -5.317  -0.767
   99    HD3  NVA  16           HD3      NVA  15  33.335  -4.646  -1.241
  100    HA   PRO  17           HA       PRO  16  34.644   1.245  -0.746
  101    HB2  PRO  17           HB2      PRO  16  35.238   0.770  -3.347
  102    HB3  PRO  17           HB1      PRO  16  36.398   0.519  -2.038
  103    HG2  PRO  17           HG2      PRO  16  34.692  -1.483  -3.468
  104    HG3  PRO  17           HG1      PRO  16  36.395  -1.604  -2.988
  105    HD2  PRO  17           HD2      PRO  16  34.386  -2.758  -1.579
  106    HD3  PRO  17           HD1      PRO  16  35.873  -2.162  -0.817
  107    HA   PRO  18           HA       PRO  17  30.429   2.001  -2.106
  108    HB2  PRO  18           HB2      PRO  17  30.893   4.676  -2.703
  109    HB3  PRO  18           HB1      PRO  17  30.414   4.051  -1.123
  110    HG2  PRO  18           HG2      PRO  17  33.124   4.786  -2.134
  111    HG3  PRO  18           HG1      PRO  17  32.420   5.027  -0.524
  112    HD2  PRO  18           HD2      PRO  17  34.189   3.072  -0.993
  113    HD3  PRO  18           HD1      PRO  17  32.821   2.832   0.117
  114    HA   PRO  19           HA       PRO  18  31.058   1.655  -6.513
  115    HB2  PRO  19           HB2      PRO  18  28.479   1.463  -7.255
  116    HB3  PRO  19           HB1      PRO  18  29.313   0.149  -6.416
  117    HG2  PRO  19           HG2      PRO  18  27.428   2.199  -5.324
  118    HG3  PRO  19           HG1      PRO  18  27.523   0.464  -4.972
  119    HD2  PRO  19           HD2      PRO  18  28.571   2.412  -3.355
  120    HD3  PRO  19           HD1      PRO  18  29.188   0.750  -3.425
  121    H    SER  20           HN       SER  19  31.182   3.042  -8.207
  122    HA   SER  20           HA       SER  19  29.520   5.452  -8.220
  123    HB2  SER  20           HB2      SER  19  32.542   5.479  -8.413
  124    HB3  SER  20           HB1      SER  19  31.496   6.873  -8.682
  125    HG   SER  20           HG       SER  19  30.916   6.846  -6.551
  126    HN1  NH2  21           H2       SER  19  29.156   6.328 -10.254
  127    HN2  NH2  21           H1       SER  19  29.619   5.530 -11.714
  Start of MODEL   30
    1    H1   ACE   1           HA2      ALA   1  19.403   1.436  -7.057
    2    H2   ACE   1           HA3      ALA   1  20.323   2.940  -7.201
    3    H3   ACE   1           HA1      ALA   1  19.536   2.526  -5.670
    4    H    ALA   2           HN       ALA   1  22.336   2.201  -7.611
    5    HA   ALA   2           HA       ALA   1  23.484  -0.085  -6.378
    6    HB1  ALA   2           HB2      ALA   1  24.232   0.740  -8.557
    7    HB2  ALA   2           HB3      ALA   1  25.573   0.628  -7.416
    8    HB3  ALA   2           HB1      ALA   1  24.862   2.199  -7.790
    9    H    TYR   3           HN       TYR   2  23.981   3.411  -5.852
   10    HA   TYR   3           HA       TYR   2  25.827   3.135  -3.737
   11    HB2  TYR   3           HB2      TYR   2  25.400   5.226  -5.086
   12    HB3  TYR   3           HB1      TYR   2  23.927   5.449  -4.150
   13    HD1  TYR   3           HD1      TYR   2  27.576   5.627  -4.106
   14    HD2  TYR   3           HD2      TYR   2  24.033   6.053  -1.784
   15    HE1  TYR   3           HE1      TYR   2  28.862   6.798  -2.369
   16    HE2  TYR   3           HE2      TYR   2  25.313   7.230  -0.042
   17    HH   TYR   3           HH       TYR   2  28.614   7.189   0.163
   18    H    ALA   4           HN       ALA   3  22.294   3.430  -3.777
   19    HA   ALA   4           HA       ALA   3  21.889   3.671  -1.010
   20    HB1  ALA   4           HB1      ALA   3  19.600   2.944  -1.452
   21    HB2  ALA   4           HB2      ALA   3  20.074   2.407  -3.064
   22    HB3  ALA   4           HB3      ALA   3  20.138   4.121  -2.650
   23    H    GLN   5           HN       GLN   4  22.235   0.822  -3.087
   24    HA   GLN   5           HA       GLN   4  21.623  -1.119  -1.120
   25    HB2  GLN   5           HB2      GLN   4  22.401  -1.104  -3.852
   26    HB3  GLN   5           HB1      GLN   4  23.534  -2.143  -2.998
   27    HG2  GLN   5           HG2      GLN   4  20.961  -2.796  -2.056
   28    HG3  GLN   5           HG1      GLN   4  20.854  -2.679  -3.811
   29   HE21  GLN   5          HE21      GLN   4  21.197  -4.839  -1.485
   30   HE22  GLN   5          HE22      GLN   4  22.227  -5.995  -2.250
   31    H    TRP   6           HN       TRP   5  24.613   0.493  -2.077
   32    HA   TRP   6           HA       TRP   5  26.472  -1.045  -0.680
   33    HB2  TRP   6           HB2      TRP   5  27.241   0.601  -2.244
   34    HB3  TRP   6           HB1      TRP   5  26.433   1.896  -1.373
   35    HD1  TRP   6           HD1      TRP   5  29.330  -0.618  -0.737
   36    HE1  TRP   6           HE1      TRP   5  31.094   0.573   0.705
   37    HE3  TRP   6           HE3      TRP   5  26.925   3.836  -0.016
   38    HZ2  TRP   6           HZ2      TRP   5  31.429   3.064   1.979
   39    HZ3  TRP   6           HZ3      TRP   5  28.040   5.571   1.325
   40    HH2  TRP   6           HH2      TRP   5  30.245   5.190   2.302
   41    H    LEU   7           HN       LEU   6  24.513   1.713   0.404
   42    HA   LEU   7           HA       LEU   6  25.615   1.909   3.000
   43    HB2  LEU   7           HB2      LEU   6  22.956   2.759   1.863
   44    HB3  LEU   7           HB1      LEU   6  23.423   3.084   3.522
   45    HG   LEU   7           HG       LEU   6  24.917   4.071   1.090
   46   HD11  LEU   7          HD11      LEU   6  24.016   6.307   2.046
   47   HD12  LEU   7          HD12      LEU   6  22.788   5.289   2.799
   48   HD13  LEU   7          HD13      LEU   6  22.965   5.307   1.043
   49   HD21  LEU   7          HD21      LEU   6  25.240   4.650   4.032
   50   HD22  LEU   7          HD22      LEU   6  26.060   5.520   2.737
   51   HD23  LEU   7          HD23      LEU   6  26.383   3.804   2.989
   52    H    ALA   8           HN       ALA   7  22.949   0.015   1.666
   53    HA   ALA   8           HA       ALA   7  21.798  -0.875   4.060
   54    HB1  ALA   8           HB1      ALA   7  20.428  -1.419   2.345
   55    HB2  ALA   8           HB2      ALA   7  21.289  -2.955   2.448
   56    HB3  ALA   8           HB3      ALA   7  21.761  -1.759   1.242
   57    H    ASP   9           HN       ASP   8  24.587  -2.081   2.257
   58    HA   ASP   9           HA       ASP   8  24.869  -4.481   3.783
   59    HB2  ASP   9           HB2      ASP   8  27.099  -3.152   2.249
   60    HB3  ASP   9           HB1      ASP   8  26.876  -4.862   2.586
   61    H    DAL  10           HN       DAL   9  25.597  -1.215   4.455
   62    HA   DAL  10           HA       DAL   9  27.492  -1.996   6.571
   63    HB1  DAL  10           HB1      DAL   9  25.116  -1.556   7.344
   64    HB2  DAL  10           HB2      DAL   9  25.403   0.133   6.928
   65    HB3  DAL  10           HB3      DAL   9  26.392  -0.653   8.158
   66    H    GLY  11           HN       GLY  10  27.603  -0.539   3.787
   67    HA2  GLY  11           HA2      GLY  10  28.762   1.205   2.850
   68    HA3  GLY  11           HA1      GLY  10  28.423   2.119   4.310
   69    HA   PRO  12           HA       PRO  11  32.933   1.884   4.556
   70    HB2  PRO  12           HB2      PRO  11  32.485   3.535   6.964
   71    HB3  PRO  12           HB1      PRO  11  33.470   3.870   5.536
   72    HG2  PRO  12           HG2      PRO  11  31.163   5.158   5.977
   73    HG3  PRO  12           HG1      PRO  11  31.686   4.720   4.340
   74    HD2  PRO  12           HD2      PRO  11  29.654   3.400   6.098
   75    HD3  PRO  12           HD1      PRO  11  29.603   3.710   4.351
   76    H    ALA  13           HN       ALA  12  30.594   1.143   7.072
   77    HA   ALA  13           HA       ALA  12  32.419   0.122   8.985
   78    HB1  ALA  13           HB1      ALA  12  30.248  -1.097   9.782
   79    HB2  ALA  13           HB2      ALA  12  29.467  -0.037   8.608
   80    HB3  ALA  13           HB3      ALA  12  30.400   0.654   9.936
   81    H    SER  14           HN       SER  13  30.575  -1.419   6.369
   82    HA   SER  14           HA       SER  13  31.286  -4.078   7.066
   83    HB2  SER  14           HB2      SER  13  30.512  -4.639   4.758
   84    HB3  SER  14           HB1      SER  13  29.348  -3.696   5.683
   85    HG   SER  14           HG       SER  13  30.940  -2.924   3.506
   86    H    DAL  15           HN       DAL  14  32.943  -1.568   5.327
   87    HA   DAL  15           HA       DAL  14  35.273  -3.285   5.066
   88    HB1  DAL  15           HB1      DAL  14  36.459  -1.228   4.464
   89    HB2  DAL  15           HB2      DAL  14  35.565  -1.045   5.973
   90    HB3  DAL  15           HB3      DAL  14  34.932  -0.345   4.482
   91    H    NVA  16           HN       NVA  15  33.029  -1.511   2.987
   92    HA   NVA  16           HA       NVA  15  34.253  -2.804   0.639
   93    HB2  NVA  16           HB1      NVA  15  31.315  -2.424   1.252
   94    HB3  NVA  16           HB2      NVA  15  32.182  -3.949   1.175
   95    HG2  NVA  16           HG1      NVA  15  32.169  -2.225  -1.249
   96    HG3  NVA  16           HG2      NVA  15  30.697  -3.107  -0.828
   97    HD1  NVA  16           HD1      NVA  15  31.706  -5.173  -1.104
   98    HD2  NVA  16           HD2      NVA  15  33.333  -4.517  -0.916
   99    HD3  NVA  16           HD3      NVA  15  32.425  -4.215  -2.398
  100    HA   PRO  17           HA       PRO  16  34.533   1.364  -0.872
  101    HB2  PRO  17           HB2      PRO  16  35.054   0.817  -3.481
  102    HB3  PRO  17           HB1      PRO  16  36.256   0.627  -2.199
  103    HG2  PRO  17           HG2      PRO  16  34.543  -1.446  -3.511
  104    HG3  PRO  17           HG1      PRO  16  36.260  -1.525  -3.076
  105    HD2  PRO  17           HD2      PRO  16  34.315  -2.667  -1.574
  106    HD3  PRO  17           HD1      PRO  16  35.808  -2.012  -0.871
  107    HA   PRO  18           HA       PRO  17  30.268   2.014  -2.141
  108    HB2  PRO  18           HB2      PRO  17  30.637   4.704  -2.703
  109    HB3  PRO  18           HB1      PRO  17  30.229   4.044  -1.117
  110    HG2  PRO  18           HG2      PRO  17  32.889   4.856  -2.208
  111    HG3  PRO  18           HG1      PRO  17  32.225   5.087  -0.579
  112    HD2  PRO  18           HD2      PRO  17  34.021   3.171  -1.085
  113    HD3  PRO  18           HD1      PRO  17  32.684   2.897   0.051
  114    HA   PRO  19           HA       PRO  18  30.473   1.485  -6.544
  115    HB2  PRO  19           HB2      PRO  18  27.890   2.968  -6.513
  116    HB3  PRO  19           HB1      PRO  18  28.282   1.403  -7.234
  117    HG2  PRO  19           HG2      PRO  18  26.876   1.549  -4.977
  118    HG3  PRO  19           HG1      PRO  18  28.088   0.277  -5.219
  119    HD2  PRO  19           HD2      PRO  18  28.245   2.755  -3.563
  120    HD3  PRO  19           HD1      PRO  18  28.916   1.143  -3.251
  121    H    SER  20           HN       SER  19  31.724   2.687  -7.822
  122    HA   SER  20           HA       SER  19  30.999   5.444  -8.398
  123    HB2  SER  20           HB2      SER  19  33.355   6.222  -8.018
  124    HB3  SER  20           HB1      SER  19  32.501   5.776  -6.541
  125    HG   SER  20           HG       SER  19  34.804   4.912  -7.202
  126    HN1  NH2  21           H2       SER  19  31.793   6.200 -10.370
  127    HN2  NH2  21           H1       SER  19  32.545   5.159 -11.526
  Start of MODEL   31
    1    H1   ACE   1           HA2      ALA   1  19.818   1.379  -6.596
    2    H2   ACE   1           HA3      ALA   1  20.821   2.311  -7.714
    3    H3   ACE   1           HA1      ALA   1  20.463   2.950  -6.103
    4    H    ALA   2           HN       ALA   1  22.976   2.034  -7.684
    5    HA   ALA   2           HA       ALA   1  24.105  -0.151  -6.304
    6    HB1  ALA   2           HB2      ALA   1  24.963   0.680  -8.450
    7    HB2  ALA   2           HB3      ALA   1  26.231   0.575  -7.229
    8    HB3  ALA   2           HB1      ALA   1  25.536   2.141  -7.646
    9    H    TYR   3           HN       TYR   2  24.471   3.362  -5.798
   10    HA   TYR   3           HA       TYR   2  26.181   3.143  -3.553
   11    HB2  TYR   3           HB2      TYR   2  25.862   5.192  -4.993
   12    HB3  TYR   3           HB1      TYR   2  24.324   5.445  -4.176
   13    HD1  TYR   3           HD1      TYR   2  27.955   5.646  -3.884
   14    HD2  TYR   3           HD2      TYR   2  24.263   6.099  -1.813
   15    HE1  TYR   3           HE1      TYR   2  29.113   6.880  -2.100
   16    HE2  TYR   3           HE2      TYR   2  25.417   7.335  -0.024
   17    HH   TYR   3           HH       TYR   2  27.832   7.441   0.888
   18    H    ALA   4           HN       ALA   3  22.662   3.420  -3.877
   19    HA   ALA   4           HA       ALA   3  22.051   3.750  -1.155
   20    HB1  ALA   4           HB1      ALA   3  20.422   2.528  -3.378
   21    HB2  ALA   4           HB2      ALA   3  20.396   4.206  -2.832
   22    HB3  ALA   4           HB3      ALA   3  19.793   2.926  -1.778
   23    H    GLN   5           HN       GLN   4  22.442   0.828  -3.131
   24    HA   GLN   5           HA       GLN   4  21.706  -1.025  -1.121
   25    HB2  GLN   5           HB2      GLN   4  22.913  -1.129  -3.797
   26    HB3  GLN   5           HB1      GLN   4  23.457  -2.412  -2.725
   27    HG2  GLN   5           HG2      GLN   4  21.631  -3.354  -3.767
   28    HG3  GLN   5           HG1      GLN   4  20.951  -2.773  -2.249
   29   HE21  GLN   5          HE21      GLN   4  19.760  -0.768  -2.288
   30   HE22  GLN   5          HE22      GLN   4  18.948  -0.282  -3.732
   31    H    TRP   6           HN       TRP   5  24.772   0.453  -2.048
   32    HA   TRP   6           HA       TRP   5  26.546  -1.079  -0.547
   33    HB2  TRP   6           HB2      TRP   5  27.415   0.497  -2.122
   34    HB3  TRP   6           HB1      TRP   5  26.594   1.838  -1.336
   35    HD1  TRP   6           HD1      TRP   5  29.436  -0.682  -0.518
   36    HE1  TRP   6           HE1      TRP   5  31.157   0.526   0.961
   37    HE3  TRP   6           HE3      TRP   5  27.044   3.805   0.008
   38    HZ2  TRP   6           HZ2      TRP   5  31.463   3.048   2.190
   39    HZ3  TRP   6           HZ3      TRP   5  28.121   5.563   1.352
   40    HH2  TRP   6           HH2      TRP   5  30.285   5.190   2.420
   41    H    LEU   7           HN       LEU   6  24.604   1.734   0.404
   42    HA   LEU   7           HA       LEU   6  25.628   1.991   3.027
   43    HB2  LEU   7           HB2      LEU   6  23.015   2.834   1.784
   44    HB3  LEU   7           HB1      LEU   6  23.432   3.199   3.447
   45    HG   LEU   7           HG       LEU   6  25.004   4.112   1.037
   46   HD11  LEU   7          HD11      LEU   6  23.185   5.460   0.856
   47   HD12  LEU   7          HD12      LEU   6  24.074   6.371   2.076
   48   HD13  LEU   7          HD13      LEU   6  22.758   5.303   2.559
   49   HD21  LEU   7          HD21      LEU   6  26.405   3.863   3.000
   50   HD22  LEU   7          HD22      LEU   6  25.254   4.785   3.967
   51   HD23  LEU   7          HD23      LEU   6  26.139   5.574   2.662
   52    H    ALA   8           HN       ALA   7  22.974   0.101   1.660
   53    HA   ALA   8           HA       ALA   7  21.748  -0.724   4.040
   54    HB1  ALA   8           HB1      ALA   7  20.564  -2.261   2.761
   55    HB2  ALA   8           HB2      ALA   7  21.897  -2.497   1.631
   56    HB3  ALA   8           HB3      ALA   7  20.968  -0.998   1.599
   57    H    ASP   9           HN       ASP   8  24.552  -2.011   2.321
   58    HA   ASP   9           HA       ASP   8  24.765  -4.385   3.899
   59    HB2  ASP   9           HB2      ASP   8  27.020  -3.105   2.354
   60    HB3  ASP   9           HB1      ASP   8  26.807  -4.805   2.756
   61    H    DAL  10           HN       DAL   9  25.527  -1.123   4.527
   62    HA   DAL  10           HA       DAL   9  27.389  -1.895   6.674
   63    HB1  DAL  10           HB1      DAL   9  26.152  -0.909   8.269
   64    HB2  DAL  10           HB2      DAL   9  24.830  -1.133   7.124
   65    HB3  DAL  10           HB3      DAL   9  25.662   0.419   7.217
   66    H    GLY  11           HN       GLY  10  27.481  -0.446   3.856
   67    HA2  GLY  11           HA2      GLY  10  28.665   1.267   2.899
   68    HA3  GLY  11           HA1      GLY  10  28.402   2.183   4.374
   69    HA   PRO  12           HA       PRO  11  32.904   1.804   4.521
   70    HB2  PRO  12           HB2      PRO  11  32.546   3.326   7.031
   71    HB3  PRO  12           HB1      PRO  11  33.522   3.711   5.610
   72    HG2  PRO  12           HG2      PRO  11  31.265   5.045   6.153
   73    HG3  PRO  12           HG1      PRO  11  31.748   4.676   4.487
   74    HD2  PRO  12           HD2      PRO  11  29.700   3.333   6.209
   75    HD3  PRO  12           HD1      PRO  11  29.635   3.733   4.480
   76    H    ALA  13           HN       ALA  12  30.596   0.998   7.045
   77    HA   ALA  13           HA       ALA  12  32.429  -0.206   8.845
   78    HB1  ALA  13           HB1      ALA  12  29.525  -0.943   8.658
   79    HB2  ALA  13           HB2      ALA  12  30.054   0.603   9.322
   80    HB3  ALA  13           HB3      ALA  12  30.569  -0.904  10.079
   81    H    SER  14           HN       SER  13  30.559  -1.458   6.113
   82    HA   SER  14           HA       SER  13  31.089  -4.200   6.652
   83    HB2  SER  14           HB2      SER  13  30.296  -4.593   4.341
   84    HB3  SER  14           HB1      SER  13  29.201  -3.558   5.255
   85    HG   SER  14           HG       SER  13  30.171  -3.022   2.940
   86    H    DAL  15           HN       DAL  14  32.902  -1.677   5.075
   87    HA   DAL  15           HA       DAL  14  35.072  -3.600   4.597
   88    HB1  DAL  15           HB1      DAL  14  35.245  -0.593   4.738
   89    HB2  DAL  15           HB2      DAL  14  36.584  -1.740   4.725
   90    HB3  DAL  15           HB3      DAL  14  35.492  -1.675   6.109
   91    H    NVA  16           HN       NVA  15  32.820  -3.242   2.716
   92    HA   NVA  16           HA       NVA  15  34.267  -3.186   0.301
   93    HB2  NVA  16           HB1      NVA  15  31.298  -2.999   0.837
   94    HB3  NVA  16           HB2      NVA  15  32.217  -4.455   0.488
   95    HG2  NVA  16           HG1      NVA  15  32.759  -3.401  -1.758
   96    HG3  NVA  16           HG2      NVA  15  31.506  -2.214  -1.377
   97    HD1  NVA  16           HD1      NVA  15  29.851  -3.957  -1.208
   98    HD2  NVA  16           HD2      NVA  15  31.086  -5.196  -1.443
   99    HD3  NVA  16           HD3      NVA  15  30.684  -4.091  -2.757
  100    HA   PRO  17           HA       PRO  16  34.435   1.206  -0.379
  101    HB2  PRO  17           HB2      PRO  16  35.238   1.181  -2.966
  102    HB3  PRO  17           HB1      PRO  16  36.321   0.783  -1.628
  103    HG2  PRO  17           HG2      PRO  16  34.849  -1.046  -3.483
  104    HG3  PRO  17           HG1      PRO  16  36.517  -1.157  -2.891
  105    HD2  PRO  17           HD2      PRO  16  34.475  -2.618  -1.850
  106    HD3  PRO  17           HD1      PRO  16  35.877  -2.101  -0.895
  107    HA   PRO  18           HA       PRO  17  30.371   2.112  -1.977
  108    HB2  PRO  18           HB2      PRO  17  30.857   4.792  -2.504
  109    HB3  PRO  18           HB1      PRO  17  30.353   4.137  -0.944
  110    HG2  PRO  18           HG2      PRO  17  33.086   4.870  -1.901
  111    HG3  PRO  18           HG1      PRO  17  32.355   5.105  -0.303
  112    HD2  PRO  18           HD2      PRO  17  34.112   3.137  -0.752
  113    HD3  PRO  18           HD1      PRO  17  32.720   2.898   0.326
  114    HA   PRO  19           HA       PRO  18  31.142   1.838  -6.368
  115    HB2  PRO  19           HB2      PRO  18  28.584   1.662  -7.187
  116    HB3  PRO  19           HB1      PRO  18  29.394   0.329  -6.354
  117    HG2  PRO  19           HG2      PRO  18  27.482   2.358  -5.269
  118    HG3  PRO  19           HG1      PRO  18  27.561   0.615  -4.957
  119    HD2  PRO  19           HD2      PRO  18  28.568   2.511  -3.259
  120    HD3  PRO  19           HD1      PRO  18  29.191   0.855  -3.364
  121    H    SER  20           HN       SER  19  31.363   3.293  -7.987
  122    HA   SER  20           HA       SER  19  29.692   5.704  -7.975
  123    HB2  SER  20           HB2      SER  19  32.713   5.737  -8.194
  124    HB3  SER  20           HB1      SER  19  31.652   7.140  -8.326
  125    HG   SER  20           HG       SER  19  31.125   6.934  -6.186
  126    HN1  NH2  21           H2       SER  19  29.015   6.285  -9.948
  127    HN2  NH2  21           H1       SER  19  29.622   5.662 -11.441
  Start of MODEL   32
    1    H1   ACE   1           HA2      ALA   1  20.058   2.102  -7.130
    2    H2   ACE   1           HA3      ALA   1  19.472   0.608  -7.855
    3    H3   ACE   1           HA1      ALA   1  20.152   1.899  -8.877
    4    H    ALA   2           HN       ALA   1  22.005   2.068  -6.275
    5    HA   ALA   2           HA       ALA   1  23.675  -0.231  -6.469
    6    HB1  ALA   2           HB2      ALA   1  25.639   1.375  -7.325
    7    HB2  ALA   2           HB3      ALA   1  24.283   2.097  -8.191
    8    HB3  ALA   2           HB1      ALA   1  24.661   0.389  -8.412
    9    H    TYR   3           HN       TYR   2  24.147   3.283  -5.953
   10    HA   TYR   3           HA       TYR   2  25.874   3.007  -3.761
   11    HB2  TYR   3           HB2      TYR   2  25.568   5.077  -5.147
   12    HB3  TYR   3           HB1      TYR   2  24.048   5.353  -4.302
   13    HD1  TYR   3           HD1      TYR   2  27.683   5.502  -4.078
   14    HD2  TYR   3           HD2      TYR   2  24.043   5.960  -1.921
   15    HE1  TYR   3           HE1      TYR   2  28.894   6.687  -2.295
   16    HE2  TYR   3           HE2      TYR   2  25.246   7.147  -0.135
   17    HH   TYR   3           HH       TYR   2  27.780   8.598  -0.268
   18    H    ALA   4           HN       ALA   3  22.352   3.368  -3.906
   19    HA   ALA   4           HA       ALA   3  21.855   3.719  -1.176
   20    HB1  ALA   4           HB1      ALA   3  19.595   3.146  -1.637
   21    HB2  ALA   4           HB2      ALA   3  20.051   2.241  -3.081
   22    HB3  ALA   4           HB3      ALA   3  20.212   3.997  -3.053
   23    H    GLN   5           HN       GLN   4  22.261   0.757  -3.084
   24    HA   GLN   5           HA       GLN   4  21.593  -1.055  -1.007
   25    HB2  GLN   5           HB2      GLN   4  22.045  -1.317  -3.674
   26    HB3  GLN   5           HB1      GLN   4  23.549  -1.961  -3.029
   27    HG2  GLN   5           HG2      GLN   4  22.089  -3.791  -3.319
   28    HG3  GLN   5           HG1      GLN   4  22.170  -3.477  -1.586
   29   HE21  GLN   5          HE21      GLN   4  20.352  -2.810  -0.504
   30   HE22  GLN   5          HE22      GLN   4  18.786  -2.751  -1.230
   31    H    TRP   6           HN       TRP   5  24.619   0.446  -2.033
   32    HA   TRP   6           HA       TRP   5  26.448  -1.049  -0.568
   33    HB2  TRP   6           HB2      TRP   5  27.248   0.539  -2.167
   34    HB3  TRP   6           HB1      TRP   5  26.442   1.870  -1.348
   35    HD1  TRP   6           HD1      TRP   5  29.315  -0.643  -0.620
   36    HE1  TRP   6           HE1      TRP   5  31.075   0.569   0.811
   37    HE3  TRP   6           HE3      TRP   5  26.932   3.841  -0.021
   38    HZ2  TRP   6           HZ2      TRP   5  31.412   3.085   2.032
   39    HZ3  TRP   6           HZ3      TRP   5  28.046   5.599   1.292
   40    HH2  TRP   6           HH2      TRP   5  30.240   5.227   2.295
   41    H    LEU   7           HN       LEU   6  24.504   1.751   0.434
   42    HA   LEU   7           HA       LEU   6  25.595   2.002   3.030
   43    HB2  LEU   7           HB2      LEU   6  22.960   2.852   1.844
   44    HB3  LEU   7           HB1      LEU   6  23.390   3.192   3.509
   45    HG   LEU   7           HG       LEU   6  24.910   4.160   1.086
   46   HD11  LEU   7          HD11      LEU   6  22.767   5.349   2.772
   47   HD12  LEU   7          HD12      LEU   6  23.040   5.476   1.035
   48   HD13  LEU   7          HD13      LEU   6  24.044   6.396   2.155
   49   HD21  LEU   7          HD21      LEU   6  26.390   3.857   2.971
   50   HD22  LEU   7          HD22      LEU   6  25.271   4.714   4.029
   51   HD23  LEU   7          HD23      LEU   6  26.094   5.578   2.730
   52    H    ALA   8           HN       ALA   7  22.897   0.124   1.734
   53    HA   ALA   8           HA       ALA   7  21.759  -0.722   4.152
   54    HB1  ALA   8           HB1      ALA   7  20.335  -1.307   2.517
   55    HB2  ALA   8           HB2      ALA   7  21.246  -2.816   2.509
   56    HB3  ALA   8           HB3      ALA   7  21.624  -1.554   1.338
   57    H    ASP   9           HN       ASP   8  24.513  -1.969   2.333
   58    HA   ASP   9           HA       ASP   8  24.771  -4.377   3.854
   59    HB2  ASP   9           HB2      ASP   8  26.981  -3.058   2.274
   60    HB3  ASP   9           HB1      ASP   8  26.792  -4.764   2.657
   61    H    DAL  10           HN       DAL   9  25.549  -1.120   4.521
   62    HA   DAL  10           HA       DAL   9  27.457  -1.927   6.616
   63    HB1  DAL  10           HB1      DAL   9  24.871  -1.094   7.067
   64    HB2  DAL  10           HB2      DAL   9  25.824   0.367   7.333
   65    HB3  DAL  10           HB3      DAL   9  26.182  -1.099   8.245
   66    H    GLY  11           HN       GLY  10  27.539  -0.461   3.834
   67    HA2  GLY  11           HA2      GLY  10  28.693   1.281   2.885
   68    HA3  GLY  11           HA1      GLY  10  28.407   2.186   4.362
   69    HA   PRO  12           HA       PRO  11  32.921   1.879   4.475
   70    HB2  PRO  12           HB2      PRO  11  32.560   3.525   6.903
   71    HB3  PRO  12           HB1      PRO  11  33.517   3.850   5.454
   72    HG2  PRO  12           HG2      PRO  11  31.244   5.176   5.953
   73    HG3  PRO  12           HG1      PRO  11  31.720   4.735   4.303
   74    HD2  PRO  12           HD2      PRO  11  29.707   3.445   6.104
   75    HD3  PRO  12           HD1      PRO  11  29.620   3.762   4.359
   76    H    ALA  13           HN       ALA  12  30.638   1.174   7.054
   77    HA   ALA  13           HA       ALA  12  32.501   0.100   8.903
   78    HB1  ALA  13           HB1      ALA  12  29.560  -0.529   8.701
   79    HB2  ALA  13           HB2      ALA  12  30.230   0.891   9.504
   80    HB3  ALA  13           HB3      ALA  12  30.599  -0.722  10.113
   81    H    SER  14           HN       SER  13  30.637  -1.342   6.259
   82    HA   SER  14           HA       SER  13  31.219  -4.042   6.946
   83    HB2  SER  14           HB2      SER  13  30.412  -4.584   4.681
   84    HB3  SER  14           HB1      SER  13  29.316  -3.483   5.511
   85    HG   SER  14           HG       SER  13  30.992  -3.026   3.326
   86    H    DAL  15           HN       DAL  14  32.986  -1.579   5.239
   87    HA   DAL  15           HA       DAL  14  35.266  -3.364   5.014
   88    HB1  DAL  15           HB1      DAL  14  35.005  -0.413   4.440
   89    HB2  DAL  15           HB2      DAL  14  36.510  -1.333   4.396
   90    HB3  DAL  15           HB3      DAL  14  35.635  -1.144   5.917
   91    H    NVA  16           HN       NVA  15  33.083  -1.558   2.905
   92    HA   NVA  16           HA       NVA  15  34.321  -2.859   0.570
   93    HB2  NVA  16           HB1      NVA  15  31.377  -2.467   1.144
   94    HB3  NVA  16           HB2      NVA  15  32.238  -3.997   1.098
   95    HG2  NVA  16           HG1      NVA  15  32.754  -2.954  -1.385
   96    HG3  NVA  16           HG2      NVA  15  31.098  -2.429  -1.073
   97    HD1  NVA  16           HD1      NVA  15  31.548  -5.197  -0.322
   98    HD2  NVA  16           HD2      NVA  15  31.876  -4.894  -2.027
   99    HD3  NVA  16           HD3      NVA  15  30.299  -4.490  -1.348
  100    HA   PRO  17           HA       PRO  16  34.635   1.320  -0.913
  101    HB2  PRO  17           HB2      PRO  16  35.121   0.776  -3.539
  102    HB3  PRO  17           HB1      PRO  16  36.342   0.623  -2.271
  103    HG2  PRO  17           HG2      PRO  16  34.663  -1.495  -3.553
  104    HG3  PRO  17           HG1      PRO  16  36.383  -1.536  -3.121
  105    HD2  PRO  17           HD2      PRO  16  34.476  -2.712  -1.608
  106    HD3  PRO  17           HD1      PRO  16  35.945  -2.004  -0.906
  107    HA   PRO  18           HA       PRO  17  30.341   1.974  -2.087
  108    HB2  PRO  18           HB2      PRO  17  30.731   4.667  -2.660
  109    HB3  PRO  18           HB1      PRO  17  30.312   4.008  -1.078
  110    HG2  PRO  18           HG2      PRO  17  32.984   4.794  -2.159
  111    HG3  PRO  18           HG1      PRO  17  32.320   5.024  -0.531
  112    HD2  PRO  18           HD2      PRO  17  34.096   3.095  -1.028
  113    HD3  PRO  18           HD1      PRO  17  32.735   2.814   0.080
  114    HA   PRO  19           HA       PRO  18  30.418   1.451  -6.490
  115    HB2  PRO  19           HB2      PRO  18  27.876   3.006  -6.386
  116    HB3  PRO  19           HB1      PRO  18  28.207   1.436  -7.128
  117    HG2  PRO  19           HG2      PRO  18  26.866   1.602  -4.832
  118    HG3  PRO  19           HG1      PRO  18  28.037   0.300  -5.114
  119    HD2  PRO  19           HD2      PRO  18  28.300   2.757  -3.442
  120    HD3  PRO  19           HD1      PRO  18  28.947   1.128  -3.168
  121    H    SER  20           HN       SER  19  31.790   2.641  -7.659
  122    HA   SER  20           HA       SER  19  31.213   5.507  -8.013
  123    HB2  SER  20           HB2      SER  19  33.794   5.686  -8.327
  124    HB3  SER  20           HB1      SER  19  33.138   5.604  -6.693
  125    HG   SER  20           HG       SER  19  34.753   3.843  -8.019
  126    HN1  NH2  21           H2       SER  19  33.164   2.862  -9.405
  127    HN2  NH2  21           H1       SER  19  32.810   3.244 -11.052