*HEADER    DE NOVO PROTEIN                         18-APR-13   2M7C              
*TITLE     CIRCULAR PERMUTATION OF THE TRP-CAGE: FOLD RESCUE UPON ADDITION OF A  
*TITLE    2 HYDROPHOBIC STAPLE                                                   
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: TRP-CAGE MINI-PROTEIN;                                     
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES                                                       
*KEYWDS    MINIPROTEIN, DE NOVO PROTEIN, TRP-CAGE, CIRCULAR PERMUTANT,           
*KEYWDS   2 MICROPROTEIN                                                         
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    32                                                                    
*AUTHOR    A.BYRNE, N.H.ANDERSEN, B.L.KIER                                       
*REVDAT   1   25-DEC-13 2M7C    0                                                


remark Date: Fri Oct 26 15:17:23 PDT 2012                 
remark title /home1/dvgloyd/Aimee/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=10.779," B=-0.204                  
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 #)           
                        
    RPPPSDGAAYAQWLADaGWAS                    
                        
! Start Here           d d- d+  # ppm1 ppm2 intens. codes   
assign (resid 10 and name he# ) (resid 10 and name hd# ) 1.96 0.06 1.02 ! 142 6.76 7.01 6295.83 Se Se Ca Ca
assign (resid 10 and name hb* ) (resid 10 and name hd# ) 2.48 0.25 0.65 ! 145 3.11 7 1614.76 Se Ca  
assign (resid 10 and name hb* ) (resid 10 and name hn ) 2.56 0.29 0.25 ! 144 3.12 8.54 1151.31    
assign (resid 10 and name hb* ) (resid 10 and name hn ) 2.7 0.34 0.28 ! 147 3.19 8.54 886.452    
assign (resid 10 and name hb* ) (resid 10 and name hd# ) 2.71 0.32 0.69 ! 148 3.18 7 1046.99 Se Ca  
assign (resid 10 and name ha ) (resid 10 and name hb* ) 2.98 0.43 0.34 ! 135 3.94 3.2 542.666    
assign (resid 10 and name ha ) (resid 10 and name hb* ) 2.71 0.37 0.32 ! 134 3.94 3.13 440.941    
assign (resid 10 and name ha ) (resid 10 and name hd1 ) 3.12 0.45 0.78 ! 133 3.94 7 525.386 Se Ca  
assign (resid 10 and name ha ) (resid 10 and name hn ) 3.18 0.49 0.39 ! 132 3.94 8.54 398.851    
assign (resid 10 and name hn ) (resid 11 and name hn ) 2.68 0.27 0.24 ! 129 8.53 8.4 1348.55    
assign (resid 10 and name hb* ) (resid 11 and name hn ) 2.96 0.42 0.33 ! 149 3.19 8.41 568.624    
assign (resid 10 and name hb* ) (resid 11 and name hn ) 3.8 0.69 0.62 ! 146 3.12 8.4 164.882    
assign (resid 10 and name ha ) (resid 11 and name hn ) 3.76 0.69 0.64 ! 136 3.94 8.41 109.619    
assign (resid 10 and name ha ) (resid 13 and name hb1 ) 3.07 0.42 0.34 ! 139 3.94 3.52 558.972    
assign (resid 10 and name ha ) (resid 13 and name hn ) 3.21 0.5 0.4 ! 137 3.94 7.95 380.1    
assign (resid 10 and name ha ) (resid 13 and name he3 ) 3.77 0.68 0.8 ! 138 3.94 6.81 173.16 Ss   
assign (resid 10 and name ha ) (resid 13 and name hb2 ) 3.48 0.68 0.61 ! 140 3.93 3 170.304    
assign (resid 10 and name ha ) (resid 14 and name hn ) 3.93 0.73 0.68 ! 141 3.94 8.45 141.399    
assign (resid 10 and name ha ) (resid 4 and name hg1 ) 3.05 0.51 0.42 ! 131 3.94 1.78 354.998    
assign (resid 10 and name ha ) (resid 4 and name hd2 ) 2.78 0.55 0.45 ! 130 3.94 2.71 296.158    
assign (resid 10 and name he1 ) (resid 7 and name hn ) 4.59 0.94 1.31 ! 143 6.76 8.72 65.3547 Ss   
assign (resid 11 and name hn ) (resid 10 and name hd# ) 3.65 0.62 0.94 ! 150 8.43 7 245.179 Se Ca  
assign (resid 11 and name ha ) (resid 10 and name hd# ) 4.06 0.75 1.11 ! 151 4.13 7 144.798 Se Ca  
assign (resid 11 and name ha ) (resid 11 and name hb# ) 2.53 0.18 0.22 ! 153 4.14 1.6 2984.29 C3   
assign (resid 11 and name hb# ) (resid 11 and name hn ) 2.86 0.29 0.26 ! 159 1.59 8.41 1630.87 C3   
assign (resid 11 and name ha ) (resid 11 and name hn ) 2.87 0.39 0.31 ! 152 4.13 8.41 652.716    
assign (resid 11 and name hb# ) (resid 12 and name hn ) 3.12 0.37 0.31 ! 160 1.59 8.15 1070.81 C3   
assign (resid 11 and name ha ) (resid 12 and name hn ) 3.55 0.61 0.51 ! 154 4.13 8.15 233.034    
assign (resid 11 and name ha ) (resid 14 and name hn ) 3.04 0.45 0.35 ! 155 4.13 8.45 497.507    
assign (resid 11 and name ha ) (resid 14 and name hb2 ) 3.72 0.5 0.4 ! 158 4.13 1.73 375.899    
assign (resid 11 and name ha ) (resid 14 and name hd1# ) 3.59 0.52 0.41 ! 156 4.13 0.94 535.395 C3   
assign (resid 11 and name hb# ) (resid 14 and name hn ) 4.56 0.82 0.74 ! 161 1.59 8.45 166.356 C3   
assign (resid 12 and name hn ) (resid 11 and name hn ) 2.89 0.4 0.32 ! 162 8.16 8.41 636.113    
assign (resid 12 and name hg# ) (resid 12 and name hb* ) 2.26 0.2 0.2 ! 179 2.4 2.18 2115.24    
assign (resid 12 and name hg# ) (resid 12 and name he# ) 2.29 0.21 0.2 ! 178 2.41 8.01 1997.83 D_2   
assign (resid 12 and name ha ) (resid 12 and name hb* ) 2.41 0.25 0.22 ! 165 3.96 2.1 1537.36    
assign (resid 12 and name ha ) (resid 12 and name hn ) 2.64 0.26 0.23 ! 163 3.96 8.15 1463.62    
assign (resid 12 and name hb* ) (resid 12 and name hn ) 2.52 0.28 0.24 ! 174 2.19 8.15 1249.67    
assign (resid 12 and name hb* ) (resid 12 and name hn ) 2.62 0.31 0.26 ! 172 2.1 8.15 1023.35    
assign (resid 12 and name ha ) (resid 12 and name hb* ) 2.71 0.34 0.28 ! 166 3.97 2.19 866.486    
assign (resid 12 and name ha ) (resid 12 and name hg# ) 2.84 0.38 0.31 ! 168 3.96 2.4 689.174    
assign (resid 12 and name ha ) (resid 12 and name he# ) 3.54 0.6 0.51 ! 164 3.96 8.01 236.249 D_1   
assign (resid 12 and name hg# ) (resid 12 and name hn ) 3.78 0.68 0.61 ! 177 2.4 8.15 169.822    
assign (resid 12 and name hb* ) (resid 13 and name hn ) 2.89 0.4 0.32 ! 173 2.1 7.96 637.006    
assign (resid 12 and name hb* ) (resid 13 and name hn ) 3.26 0.52 0.42 ! 175 2.19 7.96 352    
assign (resid 12 and name ha ) (resid 15 and name hb# ) 2.61 0.18 0.31 ! 170 3.96 1.46 3066.11 C3   
assign (resid 12 and name ha ) (resid 15 and name hn ) 3.05 0.45 0.36 ! 169 3.96 7.92 483.675    
assign (resid 12 and name ha ) (resid 16 and name hn ) 3.85 0.7 0.64 ! 171 3.96 8.09 155.286    
assign (resid 13 and name hn ) (resid 12 and name hn ) 2.47 0.27 0.23 ! 181 7.97 8.15 1356.38    
assign (resid 13 and name hz3 ) (resid 13 and name he3 ) 1.8 0 0.54 ! 200 6.88 6.82 9710.9 Ss Ss  
assign (resid 13 and name hb1 ) (resid 13 and name hn ) 2.33 0.22 0.21 ! 201 3.52 7.96 1832.11    
assign (resid 13 and name hh2 ) (resid 13 and name hz3 ) 2.41 0.25 0.62 ! 193 6.54 6.88 1555.03 Ss Ss  
assign (resid 13 and name hb2 ) (resid 13 and name hn ) 2.5 0.27 0.24 ! 206 3 7.96 1293.1    
assign (resid 13 and name hz2 ) (resid 13 and name hh2 ) 2.5 0.27 0.64 ! 197 6.1 6.53 1293.56 Ss Ss  
assign (resid 13 and name hd1 ) (resid 13 and name he1 ) 2.6 0.31 0.66 ! 191 6.76 9.21 1071.07 Ss Ss  
assign (resid 13 and name ha ) (resid 13 and name hn ) 2.65 0.32 0.27 ! 183 4.12 7.95 961.804    
assign (resid 13 and name hb2 ) (resid 13 and name hd1 ) 2.66 0.32 0.47 ! 207 3 6.75 959.779 Ss   
assign (resid 13 and name hb1 ) (resid 13 and name he3 ) 2.78 0.36 0.49 ! 203 3.52 6.81 768.251 Ss   
assign (resid 13 and name ha ) (resid 13 and name hb2 ) 2.82 0.38 0.3 ! 186 4.12 3 719.105    
assign (resid 13 and name ha ) (resid 13 and name hd1 ) 2.92 0.41 0.53 ! 184 4.12 6.75 602.17 Ss   
assign (resid 13 and name ha ) (resid 13 and name hb1 ) 3.04 0.45 0.36 ! 185 4.14 3.54 493.644    
assign (resid 13 and name hz2 ) (resid 13 and name he1 ) 3.11 0.47 0.77 ! 196 6.1 9.21 440.451 Ss Ss  
assign (resid 13 and name hb2 ) (resid 13 and name he3 ) 3.73 0.66 0.79 ! 208 3 6.81 182.623 Ss   
assign (resid 13 and name hb1 ) (resid 13 and name hd1 ) 3.81 0.69 0.82 ! 202 3.52 6.75 164.128 Ss   
assign (resid 13 and name hb1 ) (resid 14 and name hn ) 2.65 0.32 0.27 ! 204 3.52 8.45 976.838    
assign (resid 13 and name hn ) (resid 14 and name hn ) 2.67 0.33 0.27 ! 182 7.97 8.45 930.498    
assign (resid 13 and name he3 ) (resid 14 and name hn ) 2.9 0.4 0.52 ! 192 6.82 8.45 622.76 Ss   
assign (resid 13 and name hb2 ) (resid 14 and name hn ) 3.61 0.63 0.54 ! 209 3 8.45 212.683    
assign (resid 13 and name ha ) (resid 16 and name hb* ) 3.17 0.49 0.39 ! 189 4.12 2.71 404.413    
assign (resid 13 and name ha ) (resid 16 and name hb* ) 3.64 0.64 0.55 ! 188 4.12 2.8 204.187    
assign (resid 13 and name ha ) (resid 16 and name hn ) 3.91 0.72 0.67 ! 187 4.12 8.09 144.937    
assign (resid 13 and name hh2 ) (resid 19 and name hd1 ) 3.62 0.63 0.94 ! 195 6.53 7.56 211.085 Ss Ss  
assign (resid 13 and name hz2 ) (resid 19 and name hd1 ) 3.69 0.65 0.97 ! 198 6.1 7.56 192.54 Ss Ss  
assign (resid 13 and name hz2 ) (resid 19 and name he3 ) 4.2 0.81 1.23 ! 199 6.1 7.83 101.389 Ss Ss  
assign (resid 13 and name hh2 ) (resid 19 and name hn ) 4.46 0.89 1.2 ! 194 6.53 8.73 75.8318 Ss   
assign (resid 13 and name hd1 ) (resid 1 and name he ) 3.63 0.63 0.75 ! 190 6.76 7.4 208.13 Ss   
assign (resid 13 and name hb2 ) (resid 4 and name hg1 ) 3.45 0.58 0.48 ! 205 3 1.78 265.227    
assign (resid 14 and name hd1# ) (resid 10 and name he2 ) 3.24 0.4 0.57 ! 224 0.94 6.75 889.97 Ss C3  
!assign (resid 14 and name hb1 ) (resid 10 and name he2 ) 3.3 0.53 0.63 ! 240 1.43 6.75 329.502 Ss   
assign (resid 14 and name hd2# ) (resid 10 and name he2 ) 3.39 0.45 0.6 ! 229 0.87 6.75 713.472 Ss C3  
assign (resid 14 and name hg ) (resid 10 and name he2 ) 3.57 0.61 0.72 ! 234 1.52 6.75 224.222 Ss   
assign (resid 14 and name hg ) (resid 10 and name hd2 ) 3.84 0.7 0.64 ! 235 1.51 7 157.826    
assign (resid 14 and name hd1# ) (resid 10 and name hd2 ) 4.23 0.72 0.61 ! 225 0.94 7 239.014 C3   
assign (resid 14 and name hd2# ) (resid 10 and name hd2 ) 4.79 0.9 0.86 ! 230 0.87 7 130.217 C3   
assign (resid 14 and name hg ) (resid 11 and name hn ) 4.59 0.7 0.69 ! 236 1.51 8.4 1085.99    
assign (resid 14 and name hg ) (resid 13 and name he3 ) 2.92 0.41 0.52 ! 237 1.51 6.81 604.911 Ss   
assign (resid 14 and name ha ) (resid 13 and name he3 ) 3.37 0.55 0.65 ! 210 3.25 6.81 297.93 Ss   
assign (resid 14 and name hb2 ) (resid 13 and name he3 ) 3.62 0.63 0.74 ! 244 1.73 6.81 210.485 Ss   
assign (resid 14 and name hd2# ) (resid 13 and name he3 ) 3.64 0.53 0.66 ! 231 0.88 6.81 503.193 Ss C3  
assign (resid 14 and name hd2# ) (resid 13 and name hz3 ) 2.72 0.56 0.68 ! 232 0.88 6.87 451.261 Ss C3  
assign (resid 14 and name hg ) (resid 13 and name hz3 ) 3.87 0.71 0.85 ! 238 1.52 6.87 150.885 Ss   
assign (resid 14 and name ha ) (resid 13 and name hz3 ) 3.93 0.73 0.88 ! 211 3.25 6.87 140.856 Ss   
assign (resid 14 and name hb1 ) (resid 13 and name he3 ) 4.14 0.79 0.99 ! 241 1.44 6.81 108.807 Ss   
assign (resid 14 and name hd1# ) (resid 13 and name hz3 ) 4.32 0.75 0.88 ! 227 0.94 6.87 216.288 Ss C3  
assign (resid 14 and name hd1# ) (resid 13 and name he3 ) 4.62 0.84 1.01 ! 226 0.94 6.81 156.101 Ss C3  
assign (resid 14 and name hb2 ) (resid 14 and name hn ) 2.64 0.25 0.23 ! 245 1.73 8.45 1466.3    
assign (resid 14 and name hg ) (resid 14 and name hn ) 2.55 0.29 0.25 ! 239 1.52 8.45 1165.63    
assign (resid 14 and name ha ) (resid 14 and name hn ) 2.69 0.33 0.27 ! 212 3.25 8.45 903.391    
assign (resid 14 and name ha ) (resid 14 and name hb1 ) 2.51 0.34 0.28 ! 216 3.25 1.44 865.559    
assign (resid 14 and name hb1 ) (resid 14 and name hn ) 3.31 0.37 0.3 ! 242 1.44 8.45 734.066    
assign (resid 14 and name ha ) (resid 14 and name hb2 ) 3.08 0.39 0.31 ! 217 3.24 1.71 650.601    
assign (resid 14 and name ha ) (resid 14 and name hd2# ) 2.74 0.37 0.31 ! 214 3.25 0.88 1031 C3   
assign (resid 14 and name hb2 ) (resid 14 and name hd1# ) 3.33 0.43 0.35 ! 246 1.74 0.94 778.731 C3   
assign (resid 14 and name ha ) (resid 14 and name hg ) 3.39 0.62 0.53 ! 215 3.25 1.51 219.476    
assign (resid 14 and name hb2 ) (resid 14 and name hd2# ) 3.72 0.56 0.45 ! 247 1.73 0.88 449.311 C3   
assign (resid 14 and name ha ) (resid 14 and name hd1# ) 4.09 0.58 0.67 ! 213 3.25 0.93 409.27 C3   
assign (resid 14 and name hd2# ) (resid 14 and name hn ) 3.54 0.62 0.74 ! 233 0.88 8.45 168.814 C3   
assign (resid 14 and name hd1# ) (resid 14 and name hn ) 3.49 0.54 0.76 ! 228 0.94 8.45 113.918 C3   
assign (resid 14 and name hb1 ) (resid 15 and name hn ) 2.71 0.41 0.46 ! 243 1.44 7.92 1045.29    
assign (resid 14 and name hb2 ) (resid 15 and name hn ) 2.82 0.37 0.3 ! 248 1.73 7.92 721.643    
assign (resid 14 and name ha ) (resid 15 and name hn ) 3.52 0.6 0.5 ! 218 3.25 7.92 241.013    
assign (resid 14 and name ha ) (resid 16 and name hn ) 4.05 0.76 0.74 ! 219 3.25 8.09 121.915    
assign (resid 14 and name ha ) (resid 17 and name hn ) 3.65 0.64 0.55 ! 220 3.25 7.28 202.068    
assign (resid 14 and name ha ) (resid 18 and name hn ) 2.98 0.43 0.34 ! 221 3.25 8.18 541.467    
assign (resid 14 and name ha ) (resid 18 and name ha2 ) 3.69 0.65 0.57 ! 223 3.24 2.81 191.505    
assign (resid 14 and name ha ) (resid 18 and name ha1 ) 4.23 0.82 0.85 ! 222 3.25 0.65 98.0946    
assign (resid 15 and name hb# ) (resid 12 and name he# ) 3.88 0.61 0.49 ! 256 1.46 7.04 364.668 C3 D_3  
assign (resid 15 and name hb# ) (resid 12 and name hn ) 4.63 0.85 0.78 ! 254 1.47 8.16 153.757 C3   
assign (resid 15 and name hn ) (resid 14 and name hn ) 2.64 0.32 0.27 ! 249 7.93 8.45 981.746    
assign (resid 15 and name ha ) (resid 15 and name hb# ) 2.24 0.09 0.18 ! 251 3.98 1.45 5392.15 C3   
assign (resid 15 and name hb# ) (resid 15 and name hn ) 2.57 0.2 0.22 ! 257 1.46 7.92 2735.05 C3   
assign (resid 15 and name ha ) (resid 15 and name hn ) 2.66 0.33 0.27 ! 250 3.98 7.91 948.141    
assign (resid 15 and name hb# ) (resid 16 and name hn ) 3.28 0.42 0.34 ! 258 1.47 8.09 836.293 C3   
assign (resid 15 and name ha ) (resid 16 and name hn ) 3.63 0.63 0.55 ! 252 3.98 8.09 208.356    
assign (resid 15 and name ha ) (resid 17 and name hn ) 3.93 0.73 0.68 ! 253 3.98 7.28 140.366    
!assign (resid 16 and name hb* ) (resid 13 and name hd1 ) 3.63 0.63 0.75 ! 265 2.72 6.75 207.278 Ss   
assign (resid 16 and name hb* ) (resid 16 and name hn ) 2.52 0.28 0.24 ! 266 2.71 8.09 1249    
assign (resid 16 and name ha ) (resid 16 and name hb* ) 2.93 0.41 0.33 ! 260 4.46 2.79 591.603    
assign (resid 16 and name hb* ) (resid 16 and name hn ) 3.28 0.52 0.42 ! 263 2.8 8.09 340.654    
assign (resid 16 and name ha ) (resid 16 and name hn ) 3.35 0.54 0.45 ! 259 4.45 8.08 308.24    
assign (resid 16 and name ha ) (resid 16 and name hb* ) 3.03 0.56 0.49 ! 261 4.46 2.72 182.392    
assign (resid 16 and name ha ) (resid 17 and name hn ) 3.83 0.7 0.63 ! 262 4.46 7.28 160.079    
assign (resid 16 and name hb* ) (resid 17 and name hn ) 3.99 0.75 0.71 ! 264 2.8 7.31 130.775    
assign (resid 16 and name hb* ) (resid 17 and name hn ) 4.42 0.88 0.98 ! 267 2.72 7.28 78.847    
assign (resid 16 and name hb* ) (resid 18 and name hn ) 4.04 0.76 0.74 ! 268 2.71 8.18 123.444    
assign (resid 17 and name hn ) (resid 16 and name hn ) 2.81 0.37 0.3 ! 269 7.29 8.09 724.83    
assign (resid 17 and name ha ) (resid 17 and name hb# ) 2.16 0.06 0.17 ! 272 4.34 1.22 6524.24 C3   
assign (resid 17 and name ha ) (resid 17 and name hn ) 2.51 0.28 0.24 ! 271 4.33 7.28 1264.34    
assign (resid 17 and name hb# ) (resid 17 and name hn ) 3.02 0.34 0.29 ! 274 1.22 7.28 1244.69 C3   
assign (resid 17 and name hn ) (resid 18 and name hn ) 2.36 0.23 0.22 ! 270 7.29 8.18 1712.98    
assign (resid 17 and name ha ) (resid 18 and name hn ) 3.59 0.62 0.53 ! 273 4.34 8.18 219.815    
assign (resid 17 and name hb# ) (resid 18 and name hn ) 4.26 0.73 0.62 ! 275 1.22 8.18 230.205 C3   
assign (resid 18 and name ha1 ) (resid 13 and name hz3 ) 4.07 0.77 0.96 ! 276 0.66 6.87 117.783 Ss   
assign (resid 18 and name ha2 ) (resid 17 and name hn ) 4.25 0.83 0.86 ! 279 2.81 7.28 95.4393    
assign (resid 18 and name ha1 ) (resid 18 and name hn ) 2.65 0.35 0.29 ! 277 0.66 8.19 810.627    
assign (resid 18 and name ha2 ) (resid 18 and name hn ) 2.53 0.3 0.29 ! 280 2.81 8.18 615.904    
assign (resid 18 and name ha2 ) (resid 19 and name hn ) 2.65 0.32 0.27 ! 282 2.81 8.75 978.663    
assign (resid 18 and name ha1 ) (resid 19 and name hn ) 3.48 0.59 0.49 ! 278 0.65 8.75 255.548    
assign (resid 19 and name ha ) (resid 13 and name hz2 ) 3.87 0.71 0.85 ! 284 4.63 6.09 250.423 Ss   
assign (resid 19 and name ha ) (resid 13 and name he1 ) 4.29 0.84 1.09 ! 283 4.63 9.21 91.6007 Ss   
assign (resid 19 and name ha ) (resid 18 and name ha2 ) 4.07 0.77 0.76 ! 285 4.63 2.81 117.846    
assign (resid 19 and name hh2 ) (resid 19 and name hz2 ) 2.19 0.18 0.59 ! 294 7.35 7.58 2452.65 Ss Ss  
assign (resid 19 and name hd1 ) (resid 19 and name he1 ) 2.3 0.21 0.61 ! 293 7.57 10.52 1936.81 Ss Ss  
assign (resid 19 and name hz3 ) (resid 19 and name he3 ) 2.43 0.25 0.63 ! 295 7.23 7.83 1480.26 Ss Ss  
assign (resid 19 and name ha ) (resid 19 and name he3 ) 2.57 0.3 0.45 ! 288 4.64 7.84 1136.73 Ss   
assign (resid 19 and name hb2 ) (resid 19 and name he3 ) 4.1 0.76 0.81 ! 301 3.51 7.84 798.066 Ss   
assign (resid 19 and name hb1 ) (resid 19 and name hd1 ) 3.21 0.37 0.5 ! 297 3.17 7.56 730.544 Ss   
assign (resid 19 and name hb1 ) (resid 19 and name hn ) 3.62 0.41 0.33 ! 296 3.17 8.75 598.72    
assign (resid 19 and name ha ) (resid 19 and name hb1 ) 2.6 0.27 0.31 ! 289 4.65 3.19 448.915    
assign (resid 19 and name ha ) (resid 19 and name hn ) 2.54 0.48 0.38 ! 286 4.64 8.75 423.513    
assign (resid 19 and name hb1 ) (resid 19 and name he3 ) 3.19 0.49 0.6 ! 298 3.17 7.84 392.667 Ss   
assign (resid 19 and name ha ) (resid 19 and name hb2 ) 3.27 0.52 0.42 ! 290 4.63 3.51 343.795    
assign (resid 19 and name hd1 ) (resid 19 and name hn ) 3.46 0.58 0.68 ! 292 7.57 8.75 263.228 Ss   
assign (resid 19 and name hb2 ) (resid 19 and name hd1 ) 2.69 0.59 0.69 ! 300 3.52 7.56 253.303 Ss   
assign (resid 19 and name hb2 ) (resid 19 and name hn ) 2.72 0.43 0.48 ! 299 3.52 8.75 142.035    
assign (resid 19 and name ha ) (resid 19 and name hd1 ) 4.23 0.82 1.05 ! 287 4.64 7.56 97.8588 Ss   
assign (resid 19 and name ha ) (resid 20 and name hn ) 2.99 0.39 0.45 ! 291 4.63 7.84 1094.44    
assign (resid 1 and name hg* ) (resid 13 and name hd1 ) 2.74 0.35 0.49 ! 19 1.65 6.75 819.796 Ss   
assign (resid 1 and name hg* ) (resid 13 and name hd1 ) 2.95 0.42 0.53 ! 16 1.82 6.75 571.746 Ss   
assign (resid 1 and name hd# ) (resid 13 and name hd1 ) 3.2 0.5 0.6 ! 14 3.17 6.75 385.099 Ss   
assign (resid 1 and name hg* ) (resid 13 and name he1 ) 3.37 0.55 0.65 ! 20 1.65 9.21 297.429 Ss   
assign (resid 1 and name hb* ) (resid 13 and name hd1 ) 3.78 0.68 0.81 ! 10 1.97 6.75 169.335 Ss   
assign (resid 1 and name hg* ) (resid 13 and name he1 ) 3.96 0.74 0.9 ! 17 1.81 9.21 134.887 Ss   
assign (resid 1 and name hb* ) (resid 13 and name hd1 ) 4.03 0.76 0.93 ! 8 1.93 6.75 123.927 Ss   
assign (resid 1 and name hd# ) (resid 1 and name he ) 2.41 0.25 0.22 ! 11 3.18 7.42 1542.94    
assign (resid 1 and name ha ) (resid 1 and name hb* ) 3.05 0.45 0.36 ! 0 4.51 1.93 489.341    
assign (resid 1 and name hd# ) (resid 1 and name hb* ) 3.08 0.46 0.37 ! 12 3.18 1.93 466.059    
assign (resid 1 and name ha ) (resid 1 and name hb* ) 2.7 0.5 0.4 ! 1 4.51 1.96 386.882    
assign (resid 1 and name hd# ) (resid 1 and name hb* ) 3.29 0.53 0.43 ! 13 3.18 1.97 335.876    
assign (resid 1 and name hg* ) (resid 1 and name he ) 3.51 0.6 0.5 ! 18 1.65 7.41 243.494    
assign (resid 1 and name hg* ) (resid 1 and name he ) 3.56 0.61 0.52 ! 15 1.82 7.41 228.996    
assign (resid 1 and name hb* ) (resid 1 and name he ) 3.95 0.73 0.69 ! 6 1.93 7.41 137.169    
assign (resid 1 and name ha ) (resid 1 and name hg* ) 3.99 0.75 0.71 ! 3 4.51 1.63 130.398    
assign (resid 1 and name ha ) (resid 1 and name hg* ) 4.25 0.83 0.86 ! 2 4.51 1.81 96.2012    
assign (resid 1 and name ha ) (resid 2 and name hd1 ) 2.35 0.23 0.21 ! 4 4.51 3.81 1763.86    
assign (resid 1 and name ha ) (resid 2 and name hd2 ) 2.86 0.39 0.31 ! 5 4.51 3.52 666.692    
assign (resid 1 and name hb* ) (resid 2 and name hd2 ) 2.89 0.4 0.32 ! 9 1.97 3.52 631.486    
assign (resid 1 and name hb* ) (resid 2 and name hd2 ) 3.3 0.53 0.43 ! 7 1.93 3.52 332.578    
assign (resid 20 and name ha ) (resid 20 and name hb# ) 2.36 0.13 0.19 ! 303 4.48 1.4 4198.34 C3   
assign (resid 20 and name ha ) (resid 20 and name hn ) 2.49 0.27 0.24 ! 302 4.49 7.85 1312.12    
assign (resid 20 and name hb# ) (resid 20 and name hn ) 2.82 0.27 0.26 ! 305 1.4 7.84 1742.83 C3   
assign (resid 20 and name ha ) (resid 21 and name hn ) 3.39 0.56 0.46 ! 304 4.49 7.57 288.23    
assign (resid 20 and name hb# ) (resid 21 and name hn ) 4.5 0.81 0.72 ! 306 1.4 7.57 176.178 C3   
assign (resid 21 and name hb* ) (resid 18 and name ha2 ) 3.33 0.54 0.44 ! 310 3.86 2.81 315.305    
assign (resid 21 and name hb* ) (resid 18 and name hn ) 3.66 0.64 0.56 ! 313 3.47 8.18 199.49    
assign (resid 21 and name hb* ) (resid 18 and name ha2 ) 4.02 0.76 0.73 ! 314 3.46 2.8 125.18    
assign (resid 21 and name ha ) (resid 21 and name hb* ) 2.4 0.24 0.22 ! 308 4.05 3.87 1586.53    
assign (resid 21 and name ha ) (resid 21 and name hb* ) 2.73 0.35 0.28 ! 309 4.05 3.46 844.322    
assign (resid 21 and name ha ) (resid 21 and name hn ) 2.85 0.38 0.31 ! 307 4.06 7.58 684.26    
assign (resid 21 and name hb* ) (resid 21 and name hn ) 3.11 0.47 0.37 ! 315 3.48 7.57 441.745    
assign (resid 21 and name hb* ) (resid 21 and name hn ) 3.69 0.65 0.57 ! 311 3.87 7.57 191.705    
!assign (resid 2 and name hd2 ) (resid 10 and name he# ) 3.7 0.63 0.96 ! 37 3.5 6.75 228.721 Se Ca  
!assign (resid 2 and name hd2 ) (resid 10 and name hd# ) 4.6 0.92 1.43 ! 36 3.5 7.01 79.0532 Se Ca  
!assign (resid 2 and name hd2 ) (resid 13 and name hz3 ) 3.83 0.7 0.83 ! 38 3.52 6.87 158.928 Ss   
assign (resid 2 and name ha ) (resid 13 and name hz2 ) 3.33 0.53 0.68 ! 25 4.03 6.1 140.473 Ss   
assign (resid 2 and name ha ) (resid 19 and name hz3 ) 2.99 0.42 0.53 ! 27 4.01 7.24 217.851 Ss   
assign (resid 2 and name ha ) (resid 19 and name he3 ) 3.9 0.72 0.86 ! 26 4 7.83 146.686 Ss   
assign (resid 2 and name hb1 ) (resid 19 and name hz3 ) 3.4 0.52 0.66 ! 29 2.42 7.23 146.866 Ss   
assign (resid 2 and name hb1 ) (resid 19 and name hh2 ) 2.28 0.35 0.31 ! 28 2.42 7.34 131.496 Ss   
assign (resid 2 and name ha ) (resid 2 and name hb1 ) 2.76 0.36 0.29 ! 21 4.01 2.43 795.316    
assign (resid 2 and name hd1 ) (resid 2 and name hg2 ) 3.01 0.44 0.35 ! 33 3.82 2.11 516.711    
assign (resid 2 and name hd1 ) (resid 2 and name hg1 ) 2.77 0.49 0.39 ! 32 3.82 2.01 404.015    
assign (resid 2 and name ha ) (resid 2 and name hb2 ) 3.26 0.51 0.42 ! 22 4.01 1.7 353.723    
assign (resid 2 and name hd2 ) (resid 2 and name hg1 ) 3.31 0.53 0.43 ! 35 3.52 2.02 324.695    
assign (resid 2 and name hd2 ) (resid 2 and name hb2 ) 3.76 0.67 0.6 ! 34 3.53 1.72 174.575    
assign (resid 2 and name hd1 ) (resid 2 and name hb1 ) 4.8 1 1.29 ! 30 3.81 2.41 52.8275    
assign (resid 2 and name ha ) (resid 3 and name hd1 ) 2.61 0.31 0.26 ! 23 4.01 3.24 1049.2    
assign (resid 2 and name ha ) (resid 3 and name hd2 ) 2.93 0.41 0.33 ! 24 4.01 2.55 591.784    
assign (resid 3 and name hb2 ) (resid 10 and name he1 ) 3.17 0.49 0.59 ! 50 1.12 6.75 401.117 Ss   
assign (resid 3 and name hb1 ) (resid 10 and name he1 ) 3.5 0.59 0.7 ! 44 -0.08 6.75 247.015 Ss   
assign (resid 3 and name hb2 ) (resid 10 and name hd1 ) 3.5 0.59 0.7 ! 49 1.12 7 247.131 Ss   
assign (resid 3 and name hb1 ) (resid 10 and name hd1 ) 4.53 0.92 1.26 ! 43 -0.09 7 69.7854 Ss   
assign (resid 3 and name hd2 ) (resid 13 and name hz2 ) 3.14 0.48 0.58 ! 59 2.55 6.09 421.894 Ss   
assign (resid 3 and name ha ) (resid 13 and name he1 ) 3.83 0.7 0.83 ! 42 2.27 9.21 159.75 Ss   
assign (resid 3 and name ha ) (resid 13 and name hd1 ) 3.9 0.72 0.87 ! 41 2.27 6.75 145.888 Ss   
assign (resid 3 and name hd2 ) (resid 13 and name hh2 ) 4.27 0.84 1.08 ! 58 2.53 6.52 93.254 Ss   
assign (resid 3 and name hb1 ) (resid 13 and name hz3 ) 4.32 0.85 1.11 ! 47 -0.09 6.87 88.183 Ss   
assign (resid 3 and name hb1 ) (resid 13 and name hz2 ) 4.42 0.88 1.18 ! 46 -0.08 6.09 78.9507 Ss   
assign (resid 3 and name hb1 ) (resid 13 and name he3 ) 4.69 0.97 1.38 ! 45 -0.09 6.8 59.3886 Ss   
!assign (resid 3 and name hg1 ) (resid 14 and name hn ) 3.49 0.59 0.49 ! 61 1.65 8.45 252.189    
assign (resid 3 and name hd1 ) (resid 19 and name hh2 ) 3.72 0.66 0.79 ! 54 3.23 7.34 183.24 Ss   
assign (resid 3 and name hd1 ) (resid 19 and name hz3 ) 3.91 0.72 0.87 ! 55 3.23 7.24 144.496 Ss   
assign (resid 3 and name hd1 ) (resid 2 and name hb1 ) 3.43 0.57 0.47 ! 51 3.24 2.42 272.369    
assign (resid 3 and name hd2 ) (resid 3 and name hg2 ) 2.67 0.46 0.37 ! 57 2.54 1.45 465.154    
assign (resid 3 and name hd1 ) (resid 3 and name hg1 ) 2.33 0.27 0.38 ! 53 3.24 1.66 430.01    
assign (resid 3 and name hd2 ) (resid 3 and name hg1 ) 3.02 0.33 0.44 ! 56 2.56 1.66 321.085    
assign (resid 3 and name ha ) (resid 3 and name hb2 ) 2.93 0.26 0.39 ! 40 2.27 1.11 182.267    
assign (resid 3 and name ha ) (resid 3 and name hb1 ) 2.3 0.47 0.4 ! 39 2.26 -0.09 177.772    
assign (resid 3 and name hg2 ) (resid 3 and name hb1 ) 3.01 0.39 0.43 ! 62 1.42 -0.08 162.644    
assign (resid 3 and name hg1 ) (resid 3 and name hb1 ) 2.28 0.32 0.47 ! 60 1.66 -0.05 144.726    
assign (resid 4 and name hd2 ) (resid 10 and name hd1 ) 3.08 0.39 0.49 ! 84 2.71 7.01 255.004 Ss   
assign (resid 4 and name hg2 ) (resid 10 and name hd1 ) 3.5 0.65 0.57 ! 87 1.73 7.01 190.004 Ss   
assign (resid 4 and name hg2 ) (resid 10 and name hn ) 3.98 0.74 0.71 ! 86 1.71 8.54 132.015    
assign (resid 4 and name hb2 ) (resid 10 and name hn ) 4.12 0.79 0.78 ! 69 1.94 8.54 111.166    
assign (resid 4 and name hg1 ) (resid 10 and name hn ) 4.22 0.82 0.84 ! 85 1.79 8.54 99.2652    
assign (resid 4 and name hd1 ) (resid 13 and name hd1 ) 3.01 0.44 0.55 ! 76 3.05 6.75 521.686 Ss   
assign (resid 4 and name hd1 ) (resid 3 and name ha ) 2.95 0.42 0.33 ! 70 3.05 2.26 574.216    
assign (resid 4 and name hd2 ) (resid 3 and name ha ) 3.15 0.48 0.38 ! 77 2.71 2.27 418.214    
assign (resid 4 and name hd2 ) (resid 3 and name hb2 ) 3.8 0.69 0.62 ! 79 2.71 1.11 165.653    
assign (resid 4 and name hd2 ) (resid 3 and name hb1 ) 4.03 0.76 0.73 ! 78 2.72 -0.07 125.013    
assign (resid 4 and name hd1 ) (resid 3 and name hb2 ) 4.13 0.79 0.79 ! 71 3.05 1.12 110.249    
assign (resid 4 and name ha ) (resid 4 and name hb1 ) 2.59 0.3 0.25 ! 63 4.34 2.15 1095.33    
assign (resid 4 and name hd1 ) (resid 4 and name hg1 ) 2.88 0.4 0.32 ! 74 3.06 1.78 645.47    
assign (resid 4 and name hd2 ) (resid 4 and name hg2 ) 2.48 0.49 0.39 ! 83 2.72 1.73 398.173    
assign (resid 4 and name hd2 ) (resid 4 and name hg1 ) 3.33 0.54 0.44 ! 82 2.71 1.79 316.285    
assign (resid 4 and name ha ) (resid 4 and name hb2 ) 3.4 0.56 0.46 ! 64 4.34 1.95 284.029    
assign (resid 4 and name hd1 ) (resid 4 and name hg2 ) 3.41 0.56 0.47 ! 75 3.04 1.71 280.824    
assign (resid 4 and name hd1 ) (resid 4 and name hb1 ) 3.57 0.61 0.52 ! 72 3.06 2.15 225.575    
assign (resid 4 and name hd2 ) (resid 4 and name hb2 ) 4 0.75 0.71 ! 81 2.71 1.95 129.713    
assign (resid 4 and name hd2 ) (resid 4 and name hb1 ) 4.18 0.81 0.82 ! 80 2.71 2.15 104.439    
assign (resid 4 and name ha ) (resid 5 and name hn ) 2.78 0.3 0.35 ! 65 4.34 8.22 1107.68    
assign (resid 4 and name hb2 ) (resid 5 and name hn ) 3.68 0.65 0.57 ! 67 1.95 8.22 193.94    
assign (resid 4 and name hb1 ) (resid 5 and name hn ) 4.39 0.87 0.95 ! 66 2.15 8.22 82.0629    
assign (resid 4 and name hb2 ) (resid 6 and name hn ) 3.05 0.45 0.36 ! 68 1.95 7.84 484.278    
assign (resid 5 and name ha ) (resid 5 and name hb* ) 2.6 0.31 0.26 ! 89 4.2 3.76 1069.97    
assign (resid 5 and name ha ) (resid 5 and name hb* ) 2.65 0.32 0.27 ! 90 4.19 3.83 975.697    
assign (resid 5 and name ha ) (resid 5 and name hn ) 2.69 0.33 0.27 ! 88 4.19 8.21 906.169    
assign (resid 5 and name hb* ) (resid 5 and name hn ) 3.23 0.51 0.41 ! 92 3.77 8.22 369.493    
assign (resid 5 and name hb* ) (resid 5 and name hn ) 3.31 0.53 0.43 ! 94 3.84 8.22 327.664    
assign (resid 5 and name ha ) (resid 6 and name hn ) 3.45 0.57 0.48 ! 91 4.19 7.85 268.125    
assign (resid 5 and name hb* ) (resid 6 and name hn ) 4.05 0.77 0.74 ! 93 3.77 7.84 121.215    
assign (resid 5 and name hb* ) (resid 6 and name hn ) 4.17 0.8 0.81 ! 96 3.85 7.84 105.164    
assign (resid 6 and name hn ) (resid 5 and name hn ) 2.78 0.36 0.29 ! 97 7.85 8.22 773.48    
assign (resid 6 and name ha ) (resid 6 and name hn ) 2.88 0.38 0.33 ! 99 4.51 7.85 2499.22    
assign (resid 6 and name hb* ) (resid 6 and name hn ) 2.69 0.34 0.28 ! 103 2.62 7.84 896.996    
assign (resid 6 and name hb* ) (resid 6 and name hn ) 2.72 0.35 0.28 ! 104 2.72 7.84 851.165    
assign (resid 6 and name ha ) (resid 6 and name hb* ) 2.77 0.36 0.29 ! 100 4.51 2.62 777.155    
assign (resid 6 and name ha ) (resid 6 and name hb* ) 3.25 0.43 0.39 ! 101 4.52 2.71 137.415    
assign (resid 6 and name ha ) (resid 7 and name hn ) 2.88 0.51 0.48 ! 102 4.51 8.76 2036.13    
assign (resid 6 and name hn ) (resid 7 and name hn ) 2.79 0.36 0.3 ! 98 7.86 8.75 455.611    
assign (resid 6 and name hb* ) (resid 9 and name hb# ) 3.21 0.4 0.33 ! 105 2.72 1.54 927.612 C3   
assign (resid 8 and name hb# ) (resid 7 and name hn ) 2.9 0.3 0.27 ! 114 1.5 8.76 1512.56 C3   
assign (resid 8 and name hn ) (resid 7 and name hn ) 3.28 0.52 0.42 ! 110 8.34 8.76 340.959    
assign (resid 8 and name ha ) (resid 8 and name hb# ) 2.16 0.06 0.17 ! 113 4.24 1.5 7794.79 C3   
assign (resid 8 and name ha ) (resid 8 and name hn ) 2.67 0.33 0.32 ! 112 4.24 8.33 1671.86    
assign (resid 8 and name hb# ) (resid 8 and name hn ) 2.4 0.14 0.2 ! 115 1.5 8.33 3835 C3   
assign (resid 8 and name hn ) (resid 9 and name hn ) 2.24 0.19 0.2 ! 111 8.33 8.26 2214.22    
assign (resid 8 and name hb# ) (resid 9 and name hn ) 3.32 0.43 0.35 ! 116 1.5 8.27 790.576 C3   
assign (resid 9 and name hn ) (resid 10 and name hn ) 2.47 0.32 0.27 ! 117 8.27 8.54 972.308 D_0   
assign (resid 9 and name hb# ) (resid 10 and name hn ) 3.55 0.5 0.4 ! 126 1.53 8.53 566.033 C3   
assign (resid 9 and name ha ) (resid 10 and name hn ) 3.48 0.61 0.57 ! 120 4.48 8.54 170.972    
assign (resid 9 and name ha ) (resid 12 and name hn ) 3.44 0.57 0.48 ! 121 4.48 8.15 270.363    
assign (resid 9 and name ha ) (resid 12 and name hb* ) 3.81 0.69 0.62 ! 122 4.47 2.1 163.756    
assign (resid 9 and name ha ) (resid 12 and name hb* ) 4.17 0.8 0.81 ! 123 4.47 2.18 105.631    
assign (resid 9 and name hb# ) (resid 12 and name hn ) 5.22 1.03 1.11 ! 127 1.53 8.15 85.7904 C3   
assign (resid 9 and name hb# ) (resid 6 and name hn ) 5.52 1.13 1.33 ! 124 1.53 7.84 65.0347 C3   
assign (resid 9 and name ha ) (resid 9 and name hb# ) 2.48 0.16 0.21 ! 119 4.47 1.54 3303.7 C3   
assign (resid 9 and name ha ) (resid 9 and name hn ) 2.62 0.31 0.26 ! 118 4.47 8.26 1035.61    
assign (resid 9 and name hb# ) (resid 9 and name hn ) 2.74 0.25 0.24 ! 125 1.54 8.26 2014.24 C3   

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   ARG   1           H1       ARG   1  32.611   7.521   1.297
    2    H2   ARG   1           H2       ARG   1  32.408   8.434   2.472
    3    H3   ARG   1           H3       ARG   1  32.746   6.989   2.693
    4    HA   ARG   1           HA       ARG   1  30.108   8.047   2.552
    5    HB2  ARG   1           HB2      ARG   1  29.171   6.538   0.793
    6    HB3  ARG   1           HB3      ARG   1  30.197   7.867   0.206
    7    HG2  ARG   1           HG2      ARG   1  31.876   6.453  -0.498
    8    HG3  ARG   1           HG3      ARG   1  31.476   5.207   0.709
    9    HD2  ARG   1           HD2      ARG   1  30.076   4.143  -0.700
   10    HD3  ARG   1           HD3      ARG   1  29.319   5.664  -1.228
   11    HE   ARG   1           HE       ARG   1  31.447   4.224  -2.535
   12   HH11  ARG   1          HH11      ARG   1  29.891   7.338  -2.153
   13   HH12  ARG   1          HH12      ARG   1  30.442   7.938  -3.706
   14   HH21  ARG   1          HH21      ARG   1  32.161   5.000  -4.556
   15   HH22  ARG   1          HH22      ARG   1  31.721   6.620  -5.059
   16    HA   PRO   2           HA       PRO   2  29.988   4.698   5.533
   17    HB2  PRO   2           HB2      PRO   2  27.079   5.337   5.707
   18    HB3  PRO   2           HB3      PRO   2  28.303   5.363   6.984
   19    HG2  PRO   2           HG2      PRO   2  27.284   7.642   5.941
   20    HG3  PRO   2           HG3      PRO   2  28.957   7.548   6.505
   21    HD2  PRO   2           HD2      PRO   2  27.902   7.518   3.668
   22    HD3  PRO   2           HD3      PRO   2  29.385   8.244   4.301
   23    HA   PRO   3           HA       PRO   3  28.464   1.072   3.532
   24    HB2  PRO   3           HB2      PRO   3  26.918  -0.089   5.593
   25    HB3  PRO   3           HB3      PRO   3  28.655  -0.327   5.358
   26    HG2  PRO   3           HG2      PRO   3  27.220   1.539   7.230
   27    HG3  PRO   3           HG3      PRO   3  28.732   0.653   7.465
   28    HD2  PRO   3           HD2      PRO   3  28.741   3.317   6.930
   29    HD3  PRO   3           HD3      PRO   3  30.014   2.266   6.299
   30    HA   PRO   4           HA       PRO   4  24.332   2.448   2.373
   31    HB2  PRO   4           HB2      PRO   4  24.326   1.434  -0.143
   32    HB3  PRO   4           HB3      PRO   4  25.271   2.873   0.265
   33    HG2  PRO   4           HG2      PRO   4  26.194   0.003  -0.029
   34    HG3  PRO   4           HG3      PRO   4  26.981   1.490  -0.576
   35    HD2  PRO   4           HD2      PRO   4  27.691   0.139   1.756
   36    HD3  PRO   4           HD3      PRO   4  27.987   1.864   1.504
   37    H    SER   5           H        SER   5  22.387   1.492   2.580
   38    HA   SER   5           HA       SER   5  22.049  -1.107   3.501
   39    HB2  SER   5           HB2      SER   5  19.658  -0.791   3.148
   40    HB3  SER   5           HB3      SER   5  20.390   0.689   3.810
   41    HG   SER   5           HG       SER   5  19.362   1.550   2.149
   42    H    ASP   6           H        ASP   6  21.404   0.131   0.210
   43    HA   ASP   6           HA       ASP   6  20.421  -2.118  -0.994
   44    HB2  ASP   6           HB2      ASP   6  22.288  -0.009  -2.215
   45    HB3  ASP   6           HB3      ASP   6  21.508  -1.396  -3.017
   46    H    AIB   7           H        AIB   7  21.176  -4.009  -1.793
   47   HB11  AIB   7          HB11      AIB   7  24.498  -6.115  -0.461
   48   HB12  AIB   7          HB12      AIB   7  24.354  -4.415   0.042
   49   HB13  AIB   7          HB13      AIB   7  23.069  -5.577   0.450
   50   HB21  AIB   7          HB21      AIB   7  21.853  -6.665  -1.271
   51   HB22  AIB   7          HB22      AIB   7  22.720  -6.755  -2.749
   52   HB23  AIB   7          HB23      AIB   7  21.337  -5.749  -2.625
   53    H    ALA   8           H        ALA   8  22.895  -3.844  -3.953
   54    HA   ALA   8           HA       ALA   8  25.237  -4.755  -5.175
   55    HB1  ALA   8           HB1      ALA   8  24.880  -2.974  -6.836
   56    HB2  ALA   8           HB2      ALA   8  23.659  -2.244  -5.767
   57    HB3  ALA   8           HB3      ALA   8  23.381  -3.858  -6.462
   58    H    ALA   9           H        ALA   9  24.609  -1.570  -3.673
   59    HA   ALA   9           HA       ALA   9  27.202  -0.581  -4.258
   60    HB1  ALA   9           HB1      ALA   9  26.608   1.310  -2.804
   61    HB2  ALA   9           HB2      ALA   9  25.158   0.426  -2.274
   62    HB3  ALA   9           HB3      ALA   9  25.321   0.930  -3.972
   63    H    TYR  10           H        TYR  10  25.861  -2.349  -1.544
   64    HA   TYR  10           HA       TYR  10  27.773  -1.729   0.402
   65    HB2  TYR  10           HB2      TYR  10  25.572  -2.977   0.667
   66    HB3  TYR  10           HB3      TYR  10  26.464  -4.419   0.126
   67    HD1  TYR  10           HD1      TYR  10  26.650  -1.690   2.695
   68    HD2  TYR  10           HD2      TYR  10  27.552  -5.735   1.739
   69    HE1  TYR  10           HE1      TYR  10  27.467  -2.044   4.986
   70    HE2  TYR  10           HE2      TYR  10  28.368  -6.101   4.030
   71    HH   TYR  10           HH       TYR  10  29.333  -3.990   5.994
   72    H    ALA  11           H        ALA  11  27.860  -3.984  -2.288
   73    HA   ALA  11           HA       ALA  11  30.130  -5.464  -1.425
   74    HB1  ALA  11           HB1      ALA  11  30.201  -6.315  -3.734
   75    HB2  ALA  11           HB2      ALA  11  28.976  -5.114  -4.200
   76    HB3  ALA  11           HB3      ALA  11  28.565  -6.398  -3.040
   77    H    GLN  12           H        GLN  12  29.735  -2.881  -3.873
   78    HA   GLN  12           HA       GLN  12  32.463  -2.608  -4.492
   79    HB2  GLN  12           HB2      GLN  12  30.288  -1.628  -5.586
   80    HB3  GLN  12           HB3      GLN  12  30.644  -0.246  -4.522
   81    HG2  GLN  12           HG2      GLN  12  31.896   0.285  -6.736
   82    HG3  GLN  12           HG3      GLN  12  32.826  -0.272  -5.325
   83   HE21  GLN  12          HE22      GLN  12  34.541  -1.302  -6.179
   84   HE22  GLN  12          HE21      GLN  12  34.455  -2.586  -7.340
   85    H    TRP  13           H        TRP  13  30.480  -1.242  -1.943
   86    HA   TRP  13           HA       TRP  13  32.169   0.766  -0.985
   87    HB2  TRP  13           HB2      TRP  13  29.847   0.523  -0.200
   88    HB3  TRP  13           HB3      TRP  13  30.249  -1.039   0.550
   89    HD1  TRP  13           HD1      TRP  13  31.080   2.719   0.958
   90    HE1  TRP  13           HE1      TRP  13  31.583   3.124   3.446
   91    HE3  TRP  13           HE3      TRP  13  30.849  -2.100   2.626
   92    HZ2  TRP  13           HZ2      TRP  13  31.851   1.603   5.808
   93    HZ3  TRP  13           HZ3      TRP  13  31.244  -2.546   5.016
   94    HH2  TRP  13           HH2      TRP  13  31.735  -0.729   6.572
   95    H    LEU  14           H        LEU  14  31.977  -2.682  -0.121
   96    HA   LEU  14           HA       LEU  14  34.038  -2.704   1.799
   97    HB2  LEU  14           HB2      LEU  14  32.987  -4.708  -0.071
   98    HB3  LEU  14           HB3      LEU  14  34.156  -5.235   1.160
   99    HG   LEU  14           HG       LEU  14  31.389  -4.088   1.708
  100   HD11  LEU  14          HD11      LEU  14  30.831  -6.338   2.500
  101   HD12  LEU  14          HD12      LEU  14  31.277  -6.337   0.777
  102   HD13  LEU  14          HD13      LEU  14  32.440  -6.905   1.999
  103   HD21  LEU  14          HD21      LEU  14  31.821  -4.688   4.048
  104   HD22  LEU  14          HD22      LEU  14  33.468  -5.202   3.607
  105   HD23  LEU  14          HD23      LEU  14  33.000  -3.493   3.457
  106    H    ALA  15           H        ALA  15  34.046  -3.200  -1.703
  107    HA   ALA  15           HA       ALA  15  36.712  -3.986  -2.028
  108    HB1  ALA  15           HB1      ALA  15  36.437  -3.303  -4.378
  109    HB2  ALA  15           HB2      ALA  15  34.915  -2.490  -3.946
  110    HB3  ALA  15           HB3      ALA  15  35.058  -4.257  -3.785
  111    H    ASP  16           H        ASP  16  35.304  -0.792  -1.619
  112    HA   ASP  16           HA       ASP  16  37.798   0.534  -2.318
  113    HB2  ASP  16           HB2      ASP  16  35.111   1.347  -2.524
  114    HB3  ASP  16           HB3      ASP  16  35.763   2.054  -1.024
  115    H    DAL  17           H        DAL  17  37.343  -1.224   0.199
  116    HA   DAL  17           HA       DAL  17  38.862   0.483   1.969
  117    HB1  DAL  17           HB1      DAL  17  39.100  -1.533   3.358
  118    HB2  DAL  17           HB2      DAL  17  39.567  -1.818   1.666
  119    HB3  DAL  17           HB3      DAL  17  37.995  -2.398   2.264
  120    H    GLY  18           H        GLY  18  35.558  -0.278   1.567
  121    HA2  GLY  18           HA2      GLY  18  33.678   0.219   2.788
  122    HA3  GLY  18           HA3      GLY  18  34.602  -0.329   4.205
  123    H    TRP  19           H        TRP  19  35.222   1.133   5.681
  124    HA   TRP  19           HA       TRP  19  34.190   3.775   5.554
  125    HB2  TRP  19           HB2      TRP  19  35.989   2.335   7.516
  126    HB3  TRP  19           HB3      TRP  19  35.597   4.061   7.706
  127    HD1  TRP  19           HD1      TRP  19  34.396   0.747   8.690
  128    HE1  TRP  19           HE1      TRP  19  32.001   0.884   9.621
  129    HE3  TRP  19           HE3      TRP  19  33.179   5.454   7.105
  130    HZ2  TRP  19           HZ2      TRP  19  29.875   2.744   9.675
  131    HZ3  TRP  19           HZ3      TRP  19  30.946   6.337   7.638
  132    HH2  TRP  19           HH2      TRP  19  29.329   5.009   8.895
  133    H    ALA  20           H        ALA  20  37.325   2.373   4.854
  134    HA   ALA  20           HA       ALA  20  38.815   4.789   4.843
  135    HB1  ALA  20           HB1      ALA  20  40.517   3.502   3.611
  136    HB2  ALA  20           HB2      ALA  20  39.351   2.173   3.418
  137    HB3  ALA  20           HB3      ALA  20  39.918   2.630   5.042
  138    H    SER  21           H        SER  21  36.493   3.525   2.664
  139    HA   SER  21           HA       SER  21  37.381   4.403   0.182
  140    HB2  SER  21           HB2      SER  21  35.375   3.006   0.500
  141    HB3  SER  21           HB3      SER  21  34.532   4.398   1.217
  142    HG   SER  21           HG       SER  21  34.087   4.087  -1.057
  Start of MODEL    2
    1    H1   ARG   1           H1       ARG   1  32.686   7.988   0.620
    2    H2   ARG   1           H2       ARG   1  31.900   9.003   1.396
    3    H3   ARG   1           H3       ARG   1  32.584   7.876   2.113
    4    HA   ARG   1           HA       ARG   1  29.896   7.828   1.172
    5    HB2  ARG   1           HB2      ARG   1  30.086   5.603  -0.088
    6    HB3  ARG   1           HB3      ARG   1  30.513   7.110  -0.930
    7    HG2  ARG   1           HG2      ARG   1  32.854   6.664  -0.736
    8    HG3  ARG   1           HG3      ARG   1  32.570   5.326   0.404
    9    HD2  ARG   1           HD2      ARG   1  33.159   4.564  -1.902
   10    HD3  ARG   1           HD3      ARG   1  31.575   3.977  -1.345
   11    HE   ARG   1           HE       ARG   1  30.656   5.034  -3.123
   12   HH11  ARG   1          HH11      ARG   1  33.714   6.609  -2.450
   13   HH12  ARG   1          HH12      ARG   1  33.578   7.712  -3.806
   14   HH21  ARG   1          HH21      ARG   1  30.479   6.464  -4.881
   15   HH22  ARG   1          HH22      ARG   1  31.755   7.630  -5.176
   16    HA   PRO   2           HA       PRO   2  30.108   5.108   4.730
   17    HB2  PRO   2           HB2      PRO   2  27.549   5.470   5.584
   18    HB3  PRO   2           HB3      PRO   2  28.768   6.738   5.767
   19    HG2  PRO   2           HG2      PRO   2  26.512   6.540   3.802
   20    HG3  PRO   2           HG3      PRO   2  27.277   7.978   4.491
   21    HD2  PRO   2           HD2      PRO   2  27.790   6.849   1.906
   22    HD3  PRO   2           HD3      PRO   2  28.692   8.160   2.676
   23    HA   PRO   3           HA       PRO   3  28.441   1.172   3.611
   24    HB2  PRO   3           HB2      PRO   3  26.958   0.431   5.879
   25    HB3  PRO   3           HB3      PRO   3  28.704   0.213   5.699
   26    HG2  PRO   3           HG2      PRO   3  27.189   2.385   7.132
   27    HG3  PRO   3           HG3      PRO   3  28.718   1.610   7.563
   28    HD2  PRO   3           HD2      PRO   3  28.650   4.104   6.465
   29    HD3  PRO   3           HD3      PRO   3  29.980   2.991   6.124
   30    HA   PRO   4           HA       PRO   4  24.287   2.477   2.332
   31    HB2  PRO   4           HB2      PRO   4  24.336   1.417  -0.157
   32    HB3  PRO   4           HB3      PRO   4  25.234   2.894   0.221
   33    HG2  PRO   4           HG2      PRO   4  26.246   0.046   0.000
   34    HG3  PRO   4           HG3      PRO   4  26.985   1.540  -0.590
   35    HD2  PRO   4           HD2      PRO   4  27.731   0.279   1.784
   36    HD3  PRO   4           HD3      PRO   4  27.986   2.001   1.473
   37    H    SER   5           H        SER   5  22.422   1.426   2.685
   38    HA   SER   5           HA       SER   5  22.248  -1.170   3.633
   39    HB2  SER   5           HB2      SER   5  20.126   0.555   2.340
   40    HB3  SER   5           HB3      SER   5  19.784  -0.980   3.169
   41    HG   SER   5           HG       SER   5  19.539   0.853   4.559
   42    H    ASP   6           H        ASP   6  21.205  -0.063   0.388
   43    HA   ASP   6           HA       ASP   6  20.441  -2.363  -0.795
   44    HB2  ASP   6           HB2      ASP   6  20.651  -0.051  -1.953
   45    HB3  ASP   6           HB3      ASP   6  22.374  -0.500  -2.004
   46    H    AIB   7           H        AIB   7  21.282  -4.264  -1.419
   47   HB11  AIB   7          HB11      AIB   7  24.643  -5.865   0.169
   48   HB12  AIB   7          HB12      AIB   7  24.281  -4.135   0.368
   49   HB13  AIB   7          HB13      AIB   7  23.080  -5.357   0.849
   50   HB21  AIB   7          HB21      AIB   7  22.298  -6.948  -0.935
   51   HB22  AIB   7          HB22      AIB   7  23.366  -6.982  -2.275
   52   HB23  AIB   7          HB23      AIB   7  21.827  -6.243  -2.425
   53    H    ALA   8           H        ALA   8  22.940  -4.026  -3.639
   54    HA   ALA   8           HA       ALA   8  25.237  -4.905  -4.950
   55    HB1  ALA   8           HB1      ALA   8  24.782  -3.146  -6.610
   56    HB2  ALA   8           HB2      ALA   8  23.609  -2.415  -5.491
   57    HB3  ALA   8           HB3      ALA   8  23.311  -4.039  -6.156
   58    H    ALA   9           H        ALA   9  24.640  -1.677  -3.534
   59    HA   ALA   9           HA       ALA   9  27.249  -0.740  -4.160
   60    HB1  ALA   9           HB1      ALA   9  26.659   1.229  -2.810
   61    HB2  ALA   9           HB2      ALA   9  25.193   0.389  -2.253
   62    HB3  ALA   9           HB3      ALA   9  25.382   0.803  -3.973
   63    H    TYR  10           H        TYR  10  25.863  -2.355  -1.371
   64    HA   TYR  10           HA       TYR  10  27.778  -1.638   0.548
   65    HB2  TYR  10           HB2      TYR  10  25.560  -2.795   0.919
   66    HB3  TYR  10           HB3      TYR  10  26.379  -4.299   0.431
   67    HD1  TYR  10           HD1      TYR  10  26.816  -1.448   2.842
   68    HD2  TYR  10           HD2      TYR  10  27.351  -5.603   2.113
   69    HE1  TYR  10           HE1      TYR  10  27.668  -1.731   5.130
   70    HE2  TYR  10           HE2      TYR  10  28.204  -5.899   4.402
   71    HH   TYR  10           HH       TYR  10  29.397  -3.763   6.211
   72    H    ALA  11           H        ALA  11  27.822  -4.056  -1.995
   73    HA   ALA  11           HA       ALA  11  30.048  -5.540  -1.034
   74    HB1  ALA  11           HB1      ALA  11  30.121  -6.513  -3.294
   75    HB2  ALA  11           HB2      ALA  11  28.933  -5.306  -3.836
   76    HB3  ALA  11           HB3      ALA  11  28.476  -6.517  -2.615
   77    H    GLN  12           H        GLN  12  29.749  -3.104  -3.636
   78    HA   GLN  12           HA       GLN  12  32.488  -2.924  -4.232
   79    HB2  GLN  12           HB2      GLN  12  30.353  -1.965  -5.412
   80    HB3  GLN  12           HB3      GLN  12  30.712  -0.532  -4.420
   81    HG2  GLN  12           HG2      GLN  12  32.026  -0.116  -6.611
   82    HG3  GLN  12           HG3      GLN  12  32.926  -0.680  -5.184
   83   HE21  GLN  12          HE22      GLN  12  34.598  -1.799  -6.019
   84   HE22  GLN  12          HE21      GLN  12  34.454  -3.107  -7.144
   85    H    TRP  13           H        TRP  13  30.508  -1.335  -1.806
   86    HA   TRP  13           HA       TRP  13  32.266   0.667  -0.957
   87    HB2  TRP  13           HB2      TRP  13  29.895   0.546  -0.242
   88    HB3  TRP  13           HB3      TRP  13  30.252  -0.931   0.684
   89    HD1  TRP  13           HD1      TRP  13  31.046   2.850   0.720
   90    HE1  TRP  13           HE1      TRP  13  31.521   3.505   3.167
   91    HE3  TRP  13           HE3      TRP  13  30.904  -1.790   2.844
   92    HZ2  TRP  13           HZ2      TRP  13  31.795   2.222   5.669
   93    HZ3  TRP  13           HZ3      TRP  13  31.285  -1.999   5.267
   94    HH2  TRP  13           HH2      TRP  13  31.721  -0.032   6.650
   95    H    LEU  14           H        LEU  14  31.901  -2.704   0.147
   96    HA   LEU  14           HA       LEU  14  33.921  -2.664   2.114
   97    HB2  LEU  14           HB2      LEU  14  32.816  -4.759   0.382
   98    HB3  LEU  14           HB3      LEU  14  33.948  -5.240   1.667
   99    HG   LEU  14           HG       LEU  14  31.228  -3.941   2.097
  100   HD11  LEU  14          HD11      LEU  14  30.564  -6.114   3.016
  101   HD12  LEU  14          HD12      LEU  14  31.031  -6.239   1.304
  102   HD13  LEU  14          HD13      LEU  14  32.154  -6.780   2.574
  103   HD21  LEU  14          HD21      LEU  14  31.605  -4.418   4.473
  104   HD22  LEU  14          HD22      LEU  14  33.230  -5.037   4.090
  105   HD23  LEU  14          HD23      LEU  14  32.847  -3.317   3.831
  106    H    ALA  15           H        ALA  15  33.981  -3.373  -1.347
  107    HA   ALA  15           HA       ALA  15  36.569  -4.364  -1.600
  108    HB1  ALA  15           HB1      ALA  15  36.423  -3.687  -3.963
  109    HB2  ALA  15           HB2      ALA  15  34.975  -2.727  -3.581
  110    HB3  ALA  15           HB3      ALA  15  34.941  -4.497  -3.401
  111    H    ASP  16           H        ASP  16  35.442  -1.022  -1.424
  112    HA   ASP  16           HA       ASP  16  38.094   0.027  -1.974
  113    HB2  ASP  16           HB2      ASP  16  35.461   1.090  -2.277
  114    HB3  ASP  16           HB3      ASP  16  36.254   1.856  -0.878
  115    H    DAL  17           H        DAL  17  37.108  -1.495   0.634
  116    HA   DAL  17           HA       DAL  17  38.765   0.095   2.408
  117    HB1  DAL  17           HB1      DAL  17  38.623  -1.837   3.926
  118    HB2  DAL  17           HB2      DAL  17  39.171  -2.296   2.297
  119    HB3  DAL  17           HB3      DAL  17  37.495  -2.622   2.796
  120    H    GLY  18           H        GLY  18  35.507   0.045   1.675
  121    HA2  GLY  18           HA2      GLY  18  33.622   0.864   2.701
  122    HA3  GLY  18           HA3      GLY  18  34.256   0.154   4.204
  123    H    TRP  19           H        TRP  19  35.015   1.472   5.753
  124    HA   TRP  19           HA       TRP  19  34.547   4.268   5.543
  125    HB2  TRP  19           HB2      TRP  19  35.845   2.551   7.682
  126    HB3  TRP  19           HB3      TRP  19  35.687   4.317   7.841
  127    HD1  TRP  19           HD1      TRP  19  33.949   1.255   8.743
  128    HE1  TRP  19           HE1      TRP  19  31.493   1.727   9.357
  129    HE3  TRP  19           HE3      TRP  19  33.536   5.990   6.858
  130    HZ2  TRP  19           HZ2      TRP  19  29.630   3.831   9.079
  131    HZ3  TRP  19           HZ3      TRP  19  31.383   7.161   7.071
  132    HH2  TRP  19           HH2      TRP  19  29.471   6.103   8.160
  133    H    ALA  20           H        ALA  20  37.370   2.247   5.132
  134    HA   ALA  20           HA       ALA  20  39.158   4.553   5.039
  135    HB1  ALA  20           HB1      ALA  20  40.953   2.887   4.785
  136    HB2  ALA  20           HB2      ALA  20  39.730   1.594   4.755
  137    HB3  ALA  20           HB3      ALA  20  39.948   2.579   6.222
  138    H    SER  21           H        SER  21  37.212   4.626   3.047
  139    HA   SER  21           HA       SER  21  38.514   3.692   0.599
  140    HB2  SER  21           HB2      SER  21  36.179   3.147   0.713
  141    HB3  SER  21           HB3      SER  21  35.756   4.820   1.141
  142    HG   SER  21           HG       SER  21  35.799   5.331  -0.911
  Start of MODEL    3
    1    H1   ARG   1           H1       ARG   1  32.019   7.567   1.096
    2    H2   ARG   1           H2       ARG   1  31.866   8.460   2.292
    3    H3   ARG   1           H3       ARG   1  32.328   7.044   2.467
    4    HA   ARG   1           HA       ARG   1  29.619   7.909   2.590
    5    HB2  ARG   1           HB2      ARG   1  28.618   6.357   0.918
    6    HB3  ARG   1           HB3      ARG   1  29.513   7.734   0.236
    7    HG2  ARG   1           HG2      ARG   1  31.372   6.340  -0.355
    8    HG3  ARG   1           HG3      ARG   1  30.711   4.967   0.565
    9    HD2  ARG   1           HD2      ARG   1  28.851   4.765  -0.995
   10    HD3  ARG   1           HD3      ARG   1  29.385   6.221  -1.868
   11    HE   ARG   1           HE       ARG   1  31.253   4.977  -2.689
   12   HH11  ARG   1          HH11      ARG   1  28.867   3.022  -1.014
   13   HH12  ARG   1          HH12      ARG   1  29.401   1.529  -1.761
   14   HH21  ARG   1          HH21      ARG   1  31.939   3.041  -3.653
   15   HH22  ARG   1          HH22      ARG   1  31.130   1.540  -3.246
   16    HA   PRO   2           HA       PRO   2  30.031   4.539   5.530
   17    HB2  PRO   2           HB2      PRO   2  27.126   4.991   6.027
   18    HB3  PRO   2           HB3      PRO   2  28.479   5.097   7.162
   19    HG2  PRO   2           HG2      PRO   2  27.202   7.307   6.254
   20    HG3  PRO   2           HG3      PRO   2  28.929   7.322   6.635
   21    HD2  PRO   2           HD2      PRO   2  27.579   7.225   3.928
   22    HD3  PRO   2           HD3      PRO   2  29.066   8.054   4.407
   23    HA   PRO   3           HA       PRO   3  28.487   0.834   3.689
   24    HB2  PRO   3           HB2      PRO   3  27.089  -0.354   5.844
   25    HB3  PRO   3           HB3      PRO   3  28.815  -0.550   5.508
   26    HG2  PRO   3           HG2      PRO   3  27.445   1.294   7.448
   27    HG3  PRO   3           HG3      PRO   3  28.991   0.447   7.600
   28    HD2  PRO   3           HD2      PRO   3  28.906   3.105   7.051
   29    HD3  PRO   3           HD3      PRO   3  30.161   2.080   6.343
   30    HA   PRO   4           HA       PRO   4  24.269   2.194   2.779
   31    HB2  PRO   4           HB2      PRO   4  24.218   1.416   0.182
   32    HB3  PRO   4           HB3      PRO   4  25.104   2.860   0.692
   33    HG2  PRO   4           HG2      PRO   4  26.156   0.090   0.083
   34    HG3  PRO   4           HG3      PRO   4  26.855   1.664  -0.321
   35    HD2  PRO   4           HD2      PRO   4  27.669   0.099   1.855
   36    HD3  PRO   4           HD3      PRO   4  27.927   1.845   1.747
   37    H    SER   5           H        SER   5  22.400   1.124   3.014
   38    HA   SER   5           HA       SER   5  22.234  -1.551   3.715
   39    HB2  SER   5           HB2      SER   5  20.099   0.296   2.623
   40    HB3  SER   5           HB3      SER   5  19.762  -1.311   3.306
   41    HG   SER   5           HG       SER   5  19.544   0.383   4.869
   42    H    ASP   6           H        ASP   6  21.276  -0.102   0.585
   43    HA   ASP   6           HA       ASP   6  20.480  -2.329  -0.784
   44    HB2  ASP   6           HB2      ASP   6  20.542   0.103  -1.695
   45    HB3  ASP   6           HB3      ASP   6  22.277  -0.264  -1.864
   46    H    AIB   7           H        AIB   7  21.336  -4.066  -1.639
   47   HB11  AIB   7          HB11      AIB   7  24.797  -5.921  -0.546
   48   HB12  AIB   7          HB12      AIB   7  24.478  -4.264   0.019
   49   HB13  AIB   7          HB13      AIB   7  23.297  -5.556   0.336
   50   HB21  AIB   7          HB21      AIB   7  22.336  -6.740  -1.547
   51   HB22  AIB   7          HB22      AIB   7  23.271  -6.586  -2.976
   52   HB23  AIB   7          HB23      AIB   7  21.753  -5.800  -2.856
   53    H    ALA   8           H        ALA   8  22.900  -3.543  -3.865
   54    HA   ALA   8           HA       ALA   8  25.140  -4.164  -5.406
   55    HB1  ALA   8           HB1      ALA   8  24.524  -2.237  -6.806
   56    HB2  ALA   8           HB2      ALA   8  23.395  -1.698  -5.541
   57    HB3  ALA   8           HB3      ALA   8  23.116  -3.240  -6.384
   58    H    ALA   9           H        ALA   9  24.527  -1.166  -3.550
   59    HA   ALA   9           HA       ALA   9  27.111  -0.101  -4.100
   60    HB1  ALA   9           HB1      ALA   9  26.521   1.656  -2.483
   61    HB2  ALA   9           HB2      ALA   9  25.074   0.727  -2.027
   62    HB3  ALA   9           HB3      ALA   9  25.230   1.377  -3.676
   63    H    TYR  10           H        TYR  10  25.827  -2.137  -1.491
   64    HA   TYR  10           HA       TYR  10  27.869  -1.598   0.376
   65    HB2  TYR  10           HB2      TYR  10  25.664  -2.791   0.764
   66    HB3  TYR  10           HB3      TYR  10  26.453  -4.235   0.083
   67    HD1  TYR  10           HD1      TYR  10  26.827  -1.690   2.809
   68    HD2  TYR  10           HD2      TYR  10  27.734  -5.632   1.490
   69    HE1  TYR  10           HE1      TYR  10  27.798  -2.195   5.008
   70    HE2  TYR  10           HE2      TYR  10  28.711  -6.146   3.687
   71    HH   TYR  10           HH       TYR  10  28.173  -4.796   6.304
   72    H    ALA  11           H        ALA  11  27.684  -3.809  -2.387
   73    HA   ALA  11           HA       ALA  11  29.982  -5.319  -1.710
   74    HB1  ALA  11           HB1      ALA  11  29.957  -6.050  -4.060
   75    HB2  ALA  11           HB2      ALA  11  28.731  -4.811  -4.418
   76    HB3  ALA  11           HB3      ALA  11  28.345  -6.150  -3.311
   77    H    GLN  12           H        GLN  12  29.523  -2.613  -4.005
   78    HA   GLN  12           HA       GLN  12  32.230  -2.333  -4.707
   79    HB2  GLN  12           HB2      GLN  12  30.015  -1.286  -5.669
   80    HB3  GLN  12           HB3      GLN  12  30.437   0.047  -4.569
   81    HG2  GLN  12           HG2      GLN  12  32.651  -0.799  -6.586
   82    HG3  GLN  12           HG3      GLN  12  31.056  -0.121  -6.987
   83   HE21  GLN  12          HE22      GLN  12  33.934   0.373  -4.918
   84   HE22  GLN  12          HE21      GLN  12  33.848   2.103  -4.914
   85    H    TRP  13           H        TRP  13  30.341  -1.075  -2.030
   86    HA   TRP  13           HA       TRP  13  32.073   0.873  -1.033
   87    HB2  TRP  13           HB2      TRP  13  29.767   0.555  -0.185
   88    HB3  TRP  13           HB3      TRP  13  30.242  -1.010   0.516
   89    HD1  TRP  13           HD1      TRP  13  30.971   2.762   0.963
   90    HE1  TRP  13           HE1      TRP  13  31.597   3.133   3.436
   91    HE3  TRP  13           HE3      TRP  13  30.990  -2.096   2.528
   92    HZ2  TRP  13           HZ2      TRP  13  32.035   1.567   5.748
   93    HZ3  TRP  13           HZ3      TRP  13  31.521  -2.582   4.883
   94    HH2  TRP  13           HH2      TRP  13  32.033  -0.785   6.459
   95    H    LEU  14           H        LEU  14  31.900  -2.614  -0.324
   96    HA   LEU  14           HA       LEU  14  34.041  -2.721   1.505
   97    HB2  LEU  14           HB2      LEU  14  32.913  -4.648  -0.403
   98    HB3  LEU  14           HB3      LEU  14  34.115  -5.223   0.774
   99    HG   LEU  14           HG       LEU  14  31.380  -4.076   1.463
  100   HD11  LEU  14          HD11      LEU  14  30.804  -6.362   2.130
  101   HD12  LEU  14          HD12      LEU  14  31.196  -6.260   0.398
  102   HD13  LEU  14          HD13      LEU  14  32.386  -6.925   1.542
  103   HD21  LEU  14          HD21      LEU  14  31.874  -4.833   3.744
  104   HD22  LEU  14          HD22      LEU  14  33.494  -5.351   3.219
  105   HD23  LEU  14          HD23      LEU  14  33.059  -3.626   3.191
  106    H    ALA  15           H        ALA  15  33.897  -3.135  -2.009
  107    HA   ALA  15           HA       ALA  15  36.567  -3.874  -2.449
  108    HB1  ALA  15           HB1      ALA  15  36.176  -3.199  -4.785
  109    HB2  ALA  15           HB2      ALA  15  34.656  -2.422  -4.288
  110    HB3  ALA  15           HB3      ALA  15  34.845  -4.185  -4.136
  111    H    ASP  16           H        ASP  16  35.080  -0.709  -2.054
  112    HA   ASP  16           HA       ASP  16  37.417   0.733  -2.919
  113    HB2  ASP  16           HB2      ASP  16  34.683   1.444  -2.546
  114    HB3  ASP  16           HB3      ASP  16  35.656   2.168  -1.242
  115    H    DAL  17           H        DAL  17  36.738  -0.940  -0.100
  116    HA   DAL  17           HA       DAL  17  38.679   0.687   1.400
  117    HB1  DAL  17           HB1      DAL  17  39.250  -1.377   2.612
  118    HB2  DAL  17           HB2      DAL  17  39.504  -1.529   0.858
  119    HB3  DAL  17           HB3      DAL  17  38.074  -2.267   1.616
  120    H    GLY  18           H        GLY  18  35.440   0.310   1.297
  121    HA2  GLY  18           HA2      GLY  18  33.712   0.564   2.787
  122    HA3  GLY  18           HA3      GLY  18  34.725  -0.283   3.979
  123    H    TRP  19           H        TRP  19  35.331   0.849   5.702
  124    HA   TRP  19           HA       TRP  19  34.650   3.607   5.954
  125    HB2  TRP  19           HB2      TRP  19  36.123   1.664   7.762
  126    HB3  TRP  19           HB3      TRP  19  35.883   3.372   8.200
  127    HD1  TRP  19           HD1      TRP  19  34.349   0.118   8.679
  128    HE1  TRP  19           HE1      TRP  19  31.905   0.348   9.449
  129    HE3  TRP  19           HE3      TRP  19  33.598   5.049   7.548
  130    HZ2  TRP  19           HZ2      TRP  19  29.921   2.352   9.563
  131    HZ3  TRP  19           HZ3      TRP  19  31.399   6.044   8.018
  132    HH2  TRP  19           HH2      TRP  19  29.598   4.722   9.004
  133    H    ALA  20           H        ALA  20  37.638   1.847   5.334
  134    HA   ALA  20           HA       ALA  20  39.210   4.306   5.433
  135    HB1  ALA  20           HB1      ALA  20  41.152   2.834   5.078
  136    HB2  ALA  20           HB2      ALA  20  40.054   1.443   4.936
  137    HB3  ALA  20           HB3      ALA  20  40.173   2.328   6.475
  138    H    SER  21           H        SER  21  37.270   4.336   3.432
  139    HA   SER  21           HA       SER  21  38.648   3.697   0.936
  140    HB2  SER  21           HB2      SER  21  36.344   2.991   1.029
  141    HB3  SER  21           HB3      SER  21  35.820   4.618   1.519
  142    HG   SER  21           HG       SER  21  37.058   3.970  -0.970
  Start of MODEL    4
    1    H1   ARG   1           H1       ARG   1  32.550   8.037   1.632
    2    H2   ARG   1           H2       ARG   1  32.078   8.953   2.722
    3    H3   ARG   1           H3       ARG   1  32.615   7.594   3.063
    4    HA   ARG   1           HA       ARG   1  29.874   8.200   2.592
    5    HB2  ARG   1           HB2      ARG   1  29.385   6.490   0.839
    6    HB3  ARG   1           HB3      ARG   1  30.258   7.936   0.280
    7    HG2  ARG   1           HG2      ARG   1  32.307   6.750   0.083
    8    HG3  ARG   1           HG3      ARG   1  31.680   5.364   1.007
    9    HD2  ARG   1           HD2      ARG   1  30.536   4.506  -0.788
   10    HD3  ARG   1           HD3      ARG   1  30.235   6.109  -1.500
   11    HE   ARG   1           HE       ARG   1  32.545   4.401  -1.922
   12   HH11  ARG   1          HH11      ARG   1  31.157   7.596  -2.280
   13   HH12  ARG   1          HH12      ARG   1  32.268   8.067  -3.551
   14   HH21  ARG   1          HH21      ARG   1  33.993   5.010  -3.572
   15   HH22  ARG   1          HH22      ARG   1  33.867   6.609  -4.279
   16    HA   PRO   2           HA       PRO   2  29.841   4.768   5.440
   17    HB2  PRO   2           HB2      PRO   2  27.266   4.967   6.272
   18    HB3  PRO   2           HB3      PRO   2  28.458   6.203   6.700
   19    HG2  PRO   2           HG2      PRO   2  26.317   6.270   4.570
   20    HG3  PRO   2           HG3      PRO   2  26.890   7.571   5.622
   21    HD2  PRO   2           HD2      PRO   2  27.692   7.192   2.946
   22    HD3  PRO   2           HD3      PRO   2  28.562   8.179   4.127
   23    HA   PRO   3           HA       PRO   3  28.390   1.047   3.533
   24    HB2  PRO   3           HB2      PRO   3  26.705   0.483   5.949
   25    HB3  PRO   3           HB3      PRO   3  27.951  -0.523   5.199
   26    HG2  PRO   3           HG2      PRO   3  28.365   0.862   7.512
   27    HG3  PRO   3           HG3      PRO   3  29.668   0.487   6.376
   28    HD2  PRO   3           HD2      PRO   3  28.374   3.114   6.946
   29    HD3  PRO   3           HD3      PRO   3  29.958   2.780   6.234
   30    HA   PRO   4           HA       PRO   4  24.361   2.558   2.139
   31    HB2  PRO   4           HB2      PRO   4  24.402   1.408  -0.327
   32    HB3  PRO   4           HB3      PRO   4  25.359   2.850   0.041
   33    HG2  PRO   4           HG2      PRO   4  26.237  -0.046  -0.073
   34    HG3  PRO   4           HG3      PRO   4  27.067   1.396  -0.673
   35    HD2  PRO   4           HD2      PRO   4  27.693   0.175   1.744
   36    HD3  PRO   4           HD3      PRO   4  27.990   1.889   1.426
   37    H    SER   5           H        SER   5  22.322   1.677   1.989
   38    HA   SER   5           HA       SER   5  21.841  -0.828   3.171
   39    HB2  SER   5           HB2      SER   5  20.028   0.979   1.552
   40    HB3  SER   5           HB3      SER   5  19.466  -0.470   2.416
   41    HG   SER   5           HG       SER   5  19.227   1.460   3.670
   42    H    ASP   6           H        ASP   6  21.266   0.178  -0.214
   43    HA   ASP   6           HA       ASP   6  20.434  -2.150  -1.332
   44    HB2  ASP   6           HB2      ASP   6  20.805   0.073  -2.590
   45    HB3  ASP   6           HB3      ASP   6  22.516  -0.405  -2.467
   46    H    AIB   7           H        AIB   7  21.239  -4.087  -1.923
   47   HB11  AIB   7          HB11      AIB   7  24.401  -5.970  -0.116
   48   HB12  AIB   7          HB12      AIB   7  24.149  -4.232   0.171
   49   HB13  AIB   7          HB13      AIB   7  22.844  -5.390   0.518
   50   HB21  AIB   7          HB21      AIB   7  22.130  -6.843  -1.267
   51   HB22  AIB   7          HB22      AIB   7  23.071  -6.841  -2.701
   52   HB23  AIB   7          HB23      AIB   7  21.567  -6.020  -2.662
   53    H    ALA   8           H        ALA   8  23.052  -4.015  -3.988
   54    HA   ALA   8           HA       ALA   8  25.427  -5.001  -5.078
   55    HB1  ALA   8           HB1      ALA   8  25.148  -3.294  -6.831
   56    HB2  ALA   8           HB2      ALA   8  23.904  -2.500  -5.839
   57    HB3  ALA   8           HB3      ALA   8  23.625  -4.141  -6.468
   58    H    ALA   9           H        ALA   9  24.785  -1.751  -3.723
   59    HA   ALA   9           HA       ALA   9  27.416  -0.814  -4.249
   60    HB1  ALA   9           HB1      ALA   9  26.777   1.151  -2.916
   61    HB2  ALA   9           HB2      ALA   9  25.293   0.309  -2.415
   62    HB3  ALA   9           HB3      ALA   9  25.542   0.729  -4.126
   63    H    TYR  10           H        TYR  10  25.925  -2.434  -1.529
   64    HA   TYR  10           HA       TYR  10  27.756  -1.758   0.484
   65    HB2  TYR  10           HB2      TYR  10  25.602  -2.812   0.926
   66    HB3  TYR  10           HB3      TYR  10  26.160  -4.295   0.112
   67    HD1  TYR  10           HD1      TYR  10  26.870  -2.085   3.039
   68    HD2  TYR  10           HD2      TYR  10  27.290  -5.963   1.349
   69    HE1  TYR  10           HE1      TYR  10  27.764  -2.914   5.175
   70    HE2  TYR  10           HE2      TYR  10  28.190  -6.802   3.475
   71    HH   TYR  10           HH       TYR  10  28.558  -4.660   6.288
   72    H    ALA  11           H        ALA  11  27.929  -4.119  -2.105
   73    HA   ALA  11           HA       ALA  11  30.122  -5.603  -1.051
   74    HB1  ALA  11           HB1      ALA  11  30.265  -6.598  -3.300
   75    HB2  ALA  11           HB2      ALA  11  29.082  -5.406  -3.887
   76    HB3  ALA  11           HB3      ALA  11  28.601  -6.609  -2.667
   77    H    GLN  12           H        GLN  12  29.875  -3.150  -3.648
   78    HA   GLN  12           HA       GLN  12  32.637  -2.977  -4.166
   79    HB2  GLN  12           HB2      GLN  12  30.528  -2.018  -5.414
   80    HB3  GLN  12           HB3      GLN  12  30.883  -0.579  -4.429
   81    HG2  GLN  12           HG2      GLN  12  32.953  -1.757  -6.495
   82    HG3  GLN  12           HG3      GLN  12  31.691  -0.504  -6.554
   83   HE21  GLN  12          HE22      GLN  12  34.903  -1.340  -5.554
   84   HE22  GLN  12          HE21      GLN  12  35.329   0.194  -4.871
   85    H    TRP  13           H        TRP  13  30.560  -1.392  -1.811
   86    HA   TRP  13           HA       TRP  13  32.246   0.633  -0.911
   87    HB2  TRP  13           HB2      TRP  13  29.883   0.443  -0.202
   88    HB3  TRP  13           HB3      TRP  13  30.270  -1.043   0.699
   89    HD1  TRP  13           HD1      TRP  13  30.853   2.760   0.829
   90    HE1  TRP  13           HE1      TRP  13  31.367   3.381   3.273
   91    HE3  TRP  13           HE3      TRP  13  31.110  -1.929   2.811
   92    HZ2  TRP  13           HZ2      TRP  13  31.817   2.050   5.727
   93    HZ3  TRP  13           HZ3      TRP  13  31.592  -2.182   5.211
   94    HH2  TRP  13           HH2      TRP  13  31.941  -0.229   6.638
   95    H    LEU  14           H        LEU  14  32.029  -2.777   0.085
   96    HA   LEU  14           HA       LEU  14  34.026  -2.697   2.084
   97    HB2  LEU  14           HB2      LEU  14  33.014  -4.790   0.293
   98    HB3  LEU  14           HB3      LEU  14  34.157  -5.258   1.573
   99    HG   LEU  14           HG       LEU  14  31.381  -4.076   2.016
  100   HD11  LEU  14          HD11      LEU  14  30.801  -6.291   2.889
  101   HD12  LEU  14          HD12      LEU  14  31.281  -6.366   1.177
  102   HD13  LEU  14          HD13      LEU  14  32.418  -6.885   2.445
  103   HD21  LEU  14          HD21      LEU  14  31.771  -4.587   4.385
  104   HD22  LEU  14          HD22      LEU  14  33.420  -5.134   3.995
  105   HD23  LEU  14          HD23      LEU  14  32.971  -3.426   3.769
  106    H    ALA  15           H        ALA  15  34.122  -3.488  -1.370
  107    HA   ALA  15           HA       ALA  15  36.797  -4.251  -1.581
  108    HB1  ALA  15           HB1      ALA  15  36.573  -3.749  -3.981
  109    HB2  ALA  15           HB2      ALA  15  35.038  -2.916  -3.646
  110    HB3  ALA  15           HB3      ALA  15  35.184  -4.664  -3.350
  111    H    ASP  16           H        ASP  16  35.365  -1.052  -1.425
  112    HA   ASP  16           HA       ASP  16  37.846   0.254  -2.192
  113    HB2  ASP  16           HB2      ASP  16  35.100   1.019  -2.345
  114    HB3  ASP  16           HB3      ASP  16  35.889   1.904  -1.016
  115    H    DAL  17           H        DAL  17  37.408  -1.346   0.434
  116    HA   DAL  17           HA       DAL  17  38.910   0.478   2.093
  117    HB1  DAL  17           HB1      DAL  17  39.125  -1.432   3.628
  118    HB2  DAL  17           HB2      DAL  17  39.601  -1.845   1.964
  119    HB3  DAL  17           HB3      DAL  17  38.020  -2.368   2.593
  120    H    GLY  18           H        GLY  18  35.607  -0.311   1.724
  121    HA2  GLY  18           HA2      GLY  18  33.717   0.290   2.882
  122    HA3  GLY  18           HA3      GLY  18  34.625  -0.157   4.346
  123    H    TRP  19           H        TRP  19  35.263   1.406   5.708
  124    HA   TRP  19           HA       TRP  19  34.228   4.029   5.403
  125    HB2  TRP  19           HB2      TRP  19  36.004   2.696   7.447
  126    HB3  TRP  19           HB3      TRP  19  35.730   4.453   7.502
  127    HD1  TRP  19           HD1      TRP  19  34.351   1.346   8.819
  128    HE1  TRP  19           HE1      TRP  19  31.971   1.704   9.729
  129    HE3  TRP  19           HE3      TRP  19  33.368   5.908   6.736
  130    HZ2  TRP  19           HZ2      TRP  19  29.943   3.666   9.582
  131    HZ3  TRP  19           HZ3      TRP  19  31.187   6.958   7.168
  132    HH2  TRP  19           HH2      TRP  19  29.510   5.858   8.562
  133    H    ALA  20           H        ALA  20  37.300   2.587   4.619
  134    HA   ALA  20           HA       ALA  20  38.571   5.187   4.227
  135    HB1  ALA  20           HB1      ALA  20  40.589   3.882   3.690
  136    HB2  ALA  20           HB2      ALA  20  39.648   2.382   3.858
  137    HB3  ALA  20           HB3      ALA  20  39.903   3.434   5.270
  138    H    SER  21           H        SER  21  36.336   4.764   2.593
  139    HA   SER  21           HA       SER  21  37.380   4.039  -0.041
  140    HB2  SER  21           HB2      SER  21  35.270   3.027   0.424
  141    HB3  SER  21           HB3      SER  21  34.584   4.567   0.992
  142    HG   SER  21           HG       SER  21  35.507   4.208  -1.673
  Start of MODEL    5
    1    H1   ARG   1           H1       ARG   1  32.385   7.852   1.706
    2    H2   ARG   1           H2       ARG   1  32.153   8.691   2.927
    3    H3   ARG   1           H3       ARG   1  32.645   7.281   3.068
    4    HA   ARG   1           HA       ARG   1  29.910   8.069   3.098
    5    HB2  ARG   1           HB2      ARG   1  28.985   6.684   1.310
    6    HB3  ARG   1           HB3      ARG   1  30.044   7.975   0.696
    7    HG2  ARG   1           HG2      ARG   1  31.878   6.310   0.463
    8    HG3  ARG   1           HG3      ARG   1  30.752   5.034   0.984
    9    HD2  ARG   1           HD2      ARG   1  30.280   6.821  -1.424
   10    HD3  ARG   1           HD3      ARG   1  31.067   5.228  -1.517
   11    HE   ARG   1           HE       ARG   1  29.016   4.211  -1.001
   12   HH11  ARG   1          HH11      ARG   1  28.716   7.702  -1.157
   13   HH12  ARG   1          HH12      ARG   1  26.968   7.661  -1.283
   14   HH21  ARG   1          HH21      ARG   1  26.750   4.161  -1.166
   15   HH22  ARG   1          HH22      ARG   1  25.862   5.667  -1.287
   16    HA   PRO   2           HA       PRO   2  30.024   4.429   5.647
   17    HB2  PRO   2           HB2      PRO   2  27.506   4.532   6.657
   18    HB3  PRO   2           HB3      PRO   2  28.714   5.748   7.094
   19    HG2  PRO   2           HG2      PRO   2  26.454   5.935   5.093
   20    HG3  PRO   2           HG3      PRO   2  27.047   7.156   6.227
   21    HD2  PRO   2           HD2      PRO   2  27.726   7.067   3.508
   22    HD3  PRO   2           HD3      PRO   2  28.679   7.905   4.739
   23    HA   PRO   3           HA       PRO   3  28.476   0.826   3.610
   24    HB2  PRO   3           HB2      PRO   3  26.955   0.033   6.061
   25    HB3  PRO   3           HB3      PRO   3  28.214  -0.856   5.193
   26    HG2  PRO   3           HG2      PRO   3  28.638   0.410   7.586
   27    HG3  PRO   3           HG3      PRO   3  29.918   0.119   6.402
   28    HD2  PRO   3           HD2      PRO   3  28.606   2.684   7.146
   29    HD3  PRO   3           HD3      PRO   3  30.162   2.415   6.350
   30    HA   PRO   4           HA       PRO   4  24.320   2.299   2.610
   31    HB2  PRO   4           HB2      PRO   4  24.217   1.340   0.067
   32    HB3  PRO   4           HB3      PRO   4  25.173   2.770   0.477
   33    HG2  PRO   4           HG2      PRO   4  26.087  -0.084   0.070
   34    HG3  PRO   4           HG3      PRO   4  26.858   1.420  -0.449
   35    HD2  PRO   4           HD2      PRO   4  27.626  -0.011   1.820
   36    HD3  PRO   4           HD3      PRO   4  27.931   1.718   1.607
   37    H    SER   5           H        SER   5  22.287   1.355   2.459
   38    HA   SER   5           HA       SER   5  21.973  -1.245   3.509
   39    HB2  SER   5           HB2      SER   5  19.992   0.609   2.164
   40    HB3  SER   5           HB3      SER   5  19.540  -0.920   2.952
   41    HG   SER   5           HG       SER   5  19.336   0.902   4.364
   42    H    ASP   6           H        ASP   6  21.127  -0.029   0.243
   43    HA   ASP   6           HA       ASP   6  20.283  -2.342  -0.932
   44    HB2  ASP   6           HB2      ASP   6  20.686   0.142  -1.958
   45    HB3  ASP   6           HB3      ASP   6  22.194  -0.703  -2.389
   46    H    AIB   7           H        AIB   7  21.164  -4.122  -1.912
   47   HB11  AIB   7          HB11      AIB   7  24.531  -5.971  -0.479
   48   HB12  AIB   7          HB12      AIB   7  24.196  -4.287  -0.013
   49   HB13  AIB   7          HB13      AIB   7  22.988  -5.554   0.299
   50   HB21  AIB   7          HB21      AIB   7  22.185  -6.854  -1.575
   51   HB22  AIB   7          HB22      AIB   7  23.133  -6.720  -2.998
   52   HB23  AIB   7          HB23      AIB   7  21.596  -5.964  -2.917
   53    H    ALA   8           H        ALA   8  22.809  -3.709  -4.020
   54    HA   ALA   8           HA       ALA   8  25.119  -4.454  -5.396
   55    HB1  ALA   8           HB1      ALA   8  24.642  -2.569  -6.907
   56    HB2  ALA   8           HB2      ALA   8  23.459  -1.948  -5.734
   57    HB3  ALA   8           HB3      ALA   8  23.182  -3.514  -6.531
   58    H    ALA   9           H        ALA   9  24.485  -1.394  -3.650
   59    HA   ALA   9           HA       ALA   9  27.054  -0.327  -4.230
   60    HB1  ALA   9           HB1      ALA   9  26.463   1.460  -2.650
   61    HB2  ALA   9           HB2      ALA   9  25.034   0.526  -2.152
   62    HB3  ALA   9           HB3      ALA   9  25.161   1.137  -3.819
   63    H    TYR  10           H        TYR  10  25.785  -2.288  -1.625
   64    HA   TYR  10           HA       TYR  10  27.724  -1.769   0.336
   65    HB2  TYR  10           HB2      TYR  10  25.555  -2.987   0.640
   66    HB3  TYR  10           HB3      TYR  10  26.316  -4.394  -0.142
   67    HD1  TYR  10           HD1      TYR  10  28.206  -5.557   1.001
   68    HD2  TYR  10           HD2      TYR  10  26.037  -2.456   2.938
   69    HE1  TYR  10           HE1      TYR  10  29.126  -6.274   3.167
   70    HE2  TYR  10           HE2      TYR  10  26.945  -3.167   5.110
   71    HH   TYR  10           HH       TYR  10  28.021  -5.810   5.880
   72    H    ALA  11           H        ALA  11  27.778  -3.857  -2.488
   73    HA   ALA  11           HA       ALA  11  30.080  -5.362  -1.745
   74    HB1  ALA  11           HB1      ALA  11  30.099  -6.106  -4.093
   75    HB2  ALA  11           HB2      ALA  11  28.850  -4.897  -4.471
   76    HB3  ALA  11           HB3      ALA  11  28.482  -6.239  -3.361
   77    H    GLN  12           H        GLN  12  29.594  -2.667  -4.047
   78    HA   GLN  12           HA       GLN  12  32.306  -2.339  -4.721
   79    HB2  GLN  12           HB2      GLN  12  30.085  -1.340  -5.718
   80    HB3  GLN  12           HB3      GLN  12  30.466   0.005  -4.617
   81    HG2  GLN  12           HG2      GLN  12  31.673   0.652  -6.805
   82    HG3  GLN  12           HG3      GLN  12  32.650  -0.045  -5.492
   83   HE21  GLN  12          HE22      GLN  12  34.279  -1.060  -6.517
   84   HE22  GLN  12          HE21      GLN  12  34.084  -2.249  -7.762
   85    H    TRP  13           H        TRP  13  30.364  -1.113  -2.067
   86    HA   TRP  13           HA       TRP  13  32.053   0.883  -1.080
   87    HB2  TRP  13           HB2      TRP  13  29.744   0.563  -0.261
   88    HB3  TRP  13           HB3      TRP  13  30.209  -0.998   0.456
   89    HD1  TRP  13           HD1      TRP  13  30.788   2.784   0.939
   90    HE1  TRP  13           HE1      TRP  13  31.407   3.161   3.410
   91    HE3  TRP  13           HE3      TRP  13  31.106  -2.082   2.439
   92    HZ2  TRP  13           HZ2      TRP  13  31.953   1.595   5.698
   93    HZ3  TRP  13           HZ3      TRP  13  31.686  -2.567   4.782
   94    HH2  TRP  13           HH2      TRP  13  32.102  -0.762   6.377
   95    H    LEU  14           H        LEU  14  31.969  -2.612  -0.422
   96    HA   LEU  14           HA       LEU  14  34.073  -2.677   1.465
   97    HB2  LEU  14           HB2      LEU  14  33.003  -4.612  -0.464
   98    HB3  LEU  14           HB3      LEU  14  34.222  -5.172   0.704
   99    HG   LEU  14           HG       LEU  14  31.452  -4.110   1.401
  100   HD11  LEU  14          HD11      LEU  14  30.967  -6.416   2.076
  101   HD12  LEU  14          HD12      LEU  14  31.357  -6.307   0.343
  102   HD13  LEU  14          HD13      LEU  14  32.570  -6.919   1.492
  103   HD21  LEU  14          HD21      LEU  14  31.975  -4.839   3.685
  104   HD22  LEU  14          HD22      LEU  14  33.613  -5.302   3.162
  105   HD23  LEU  14          HD23      LEU  14  33.117  -3.593   3.128
  106    H    ALA  15           H        ALA  15  33.983  -3.038  -2.052
  107    HA   ALA  15           HA       ALA  15  36.632  -3.777  -2.510
  108    HB1  ALA  15           HB1      ALA  15  36.284  -2.958  -4.807
  109    HB2  ALA  15           HB2      ALA  15  34.779  -2.170  -4.279
  110    HB3  ALA  15           HB3      ALA  15  34.920  -3.943  -4.225
  111    H    ASP  16           H        ASP  16  35.241  -0.584  -1.957
  112    HA   ASP  16           HA       ASP  16  37.692   0.777  -2.675
  113    HB2  ASP  16           HB2      ASP  16  34.961   1.594  -2.489
  114    HB3  ASP  16           HB3      ASP  16  35.885   2.284  -1.132
  115    H    DAL  17           H        DAL  17  36.980  -1.028  -0.052
  116    HA   DAL  17           HA       DAL  17  38.744   0.571   1.664
  117    HB1  DAL  17           HB1      DAL  17  39.200  -1.536   2.852
  118    HB2  DAL  17           HB2      DAL  17  39.575  -1.645   1.116
  119    HB3  DAL  17           HB3      DAL  17  38.084  -2.380   1.752
  120    H    GLY  18           H        GLY  18  35.532   0.282   1.307
  121    HA2  GLY  18           HA2      GLY  18  33.691   0.494   2.669
  122    HA3  GLY  18           HA3      GLY  18  34.608  -0.377   3.919
  123    H    TRP  19           H        TRP  19  35.262   0.725   5.658
  124    HA   TRP  19           HA       TRP  19  34.490   3.453   5.975
  125    HB2  TRP  19           HB2      TRP  19  35.942   1.464   7.733
  126    HB3  TRP  19           HB3      TRP  19  35.776   3.168   8.218
  127    HD1  TRP  19           HD1      TRP  19  34.110  -0.029   8.635
  128    HE1  TRP  19           HE1      TRP  19  31.676   0.284   9.410
  129    HE3  TRP  19           HE3      TRP  19  33.559   4.948   7.599
  130    HZ2  TRP  19           HZ2      TRP  19  29.774   2.366   9.562
  131    HZ3  TRP  19           HZ3      TRP  19  31.402   6.022   8.087
  132    HH2  TRP  19           HH2      TRP  19  29.548   4.757   9.048
  133    H    ALA  20           H        ALA  20  37.497   1.821   5.205
  134    HA   ALA  20           HA       ALA  20  39.022   4.302   5.454
  135    HB1  ALA  20           HB1      ALA  20  40.988   2.901   4.974
  136    HB2  ALA  20           HB2      ALA  20  39.918   1.496   4.760
  137    HB3  ALA  20           HB3      ALA  20  40.046   2.283   6.351
  138    H    SER  21           H        SER  21  37.036   4.389   3.488
  139    HA   SER  21           HA       SER  21  38.398   3.967   0.937
  140    HB2  SER  21           HB2      SER  21  36.124   3.153   1.032
  141    HB3  SER  21           HB3      SER  21  35.543   4.735   1.600
  142    HG   SER  21           HG       SER  21  35.186   4.532  -0.634
  Start of MODEL    6
    1    H1   ARG   1           H1       ARG   1  32.166   8.071   1.840
    2    H2   ARG   1           H2       ARG   1  31.737   8.876   3.030
    3    H3   ARG   1           H3       ARG   1  32.387   7.538   3.225
    4    HA   ARG   1           HA       ARG   1  29.580   7.981   3.038
    5    HB2  ARG   1           HB2      ARG   1  28.922   6.587   1.189
    6    HB3  ARG   1           HB3      ARG   1  29.994   7.891   0.630
    7    HG2  ARG   1           HG2      ARG   1  31.873   6.332   0.515
    8    HG3  ARG   1           HG3      ARG   1  30.847   5.022   1.148
    9    HD2  ARG   1           HD2      ARG   1  29.623   4.847  -0.829
   10    HD3  ARG   1           HD3      ARG   1  30.030   6.500  -1.345
   11    HE   ARG   1           HE       ARG   1  31.565   4.100  -1.791
   12   HH11  ARG   1          HH11      ARG   1  31.667   7.596  -1.623
   13   HH12  ARG   1          HH12      ARG   1  33.098   7.722  -2.628
   14   HH21  ARG   1          HH21      ARG   1  33.425   4.259  -3.097
   15   HH22  ARG   1          HH22      ARG   1  34.088   5.840  -3.459
   16    HA   PRO   2           HA       PRO   2  30.027   4.363   5.607
   17    HB2  PRO   2           HB2      PRO   2  27.560   4.376   6.732
   18    HB3  PRO   2           HB3      PRO   2  28.737   5.642   7.111
   19    HG2  PRO   2           HG2      PRO   2  26.363   5.739   5.247
   20    HG3  PRO   2           HG3      PRO   2  26.999   6.997   6.316
   21    HD2  PRO   2           HD2      PRO   2  27.502   6.822   3.541
   22    HD3  PRO   2           HD3      PRO   2  28.450   7.787   4.680
   23    HA   PRO   3           HA       PRO   3  28.473   0.715   3.654
   24    HB2  PRO   3           HB2      PRO   3  27.006  -0.083   6.138
   25    HB3  PRO   3           HB3      PRO   3  28.258  -0.963   5.250
   26    HG2  PRO   3           HG2      PRO   3  28.724   0.313   7.625
   27    HG3  PRO   3           HG3      PRO   3  29.979   0.055   6.406
   28    HD2  PRO   3           HD2      PRO   3  28.608   2.587   7.179
   29    HD3  PRO   3           HD3      PRO   3  30.167   2.361   6.377
   30    HA   PRO   4           HA       PRO   4  24.290   2.158   2.715
   31    HB2  PRO   4           HB2      PRO   4  24.168   1.213   0.169
   32    HB3  PRO   4           HB3      PRO   4  25.105   2.657   0.576
   33    HG2  PRO   4           HG2      PRO   4  26.064  -0.187   0.164
   34    HG3  PRO   4           HG3      PRO   4  26.787   1.325  -0.400
   35    HD2  PRO   4           HD2      PRO   4  27.688  -0.031   1.842
   36    HD3  PRO   4           HD3      PRO   4  27.870   1.717   1.645
   37    H    SER   5           H        SER   5  22.273   1.183   2.627
   38    HA   SER   5           HA       SER   5  22.024  -1.448   3.612
   39    HB2  SER   5           HB2      SER   5  19.987   0.414   2.364
   40    HB3  SER   5           HB3      SER   5  19.574  -1.143   3.118
   41    HG   SER   5           HG       SER   5  19.373   0.636   4.585
   42    H    ASP   6           H        ASP   6  21.140  -0.130   0.403
   43    HA   ASP   6           HA       ASP   6  20.281  -2.358  -0.884
   44    HB2  ASP   6           HB2      ASP   6  20.506  -0.004  -1.923
   45    HB3  ASP   6           HB3      ASP   6  22.230  -0.447  -1.985
   46    H    AIB   7           H        AIB   7  21.093  -4.188  -1.761
   47   HB11  AIB   7          HB11      AIB   7  24.520  -6.239  -0.592
   48   HB12  AIB   7          HB12      AIB   7  24.320  -4.578   0.016
   49   HB13  AIB   7          HB13      AIB   7  23.085  -5.810   0.369
   50   HB21  AIB   7          HB21      AIB   7  21.856  -6.812  -1.364
   51   HB22  AIB   7          HB22      AIB   7  22.741  -6.848  -2.833
   52   HB23  AIB   7          HB23      AIB   7  21.328  -5.885  -2.706
   53    H    ALA   8           H        ALA   8  22.736  -3.837  -3.922
   54    HA   ALA   8           HA       ALA   8  25.048  -4.604  -5.287
   55    HB1  ALA   8           HB1      ALA   8  24.582  -2.730  -6.814
   56    HB2  ALA   8           HB2      ALA   8  23.394  -2.097  -5.651
   57    HB3  ALA   8           HB3      ALA   8  23.118  -3.669  -6.437
   58    H    ALA   9           H        ALA   9  24.410  -1.540  -3.555
   59    HA   ALA   9           HA       ALA   9  26.947  -0.440  -4.195
   60    HB1  ALA   9           HB1      ALA   9  26.362   1.350  -2.616
   61    HB2  ALA   9           HB2      ALA   9  24.962   0.396  -2.075
   62    HB3  ALA   9           HB3      ALA   9  25.037   0.995  -3.749
   63    H    TYR  10           H        TYR  10  25.772  -2.390  -1.536
   64    HA   TYR  10           HA       TYR  10  27.738  -1.816   0.375
   65    HB2  TYR  10           HB2      TYR  10  25.682  -3.018   0.887
   66    HB3  TYR  10           HB3      TYR  10  26.230  -4.387  -0.111
   67    HD1  TYR  10           HD1      TYR  10  27.087  -2.428   2.951
   68    HD2  TYR  10           HD2      TYR  10  27.550  -6.101   0.858
   69    HE1  TYR  10           HE1      TYR  10  28.202  -3.400   4.914
   70    HE2  TYR  10           HE2      TYR  10  28.672  -7.081   2.812
   71    HH   TYR  10           HH       TYR  10  29.371  -6.758   4.891
   72    H    ALA  11           H        ALA  11  27.792  -3.921  -2.435
   73    HA   ALA  11           HA       ALA  11  30.132  -5.380  -1.719
   74    HB1  ALA  11           HB1      ALA  11  30.131  -6.131  -4.063
   75    HB2  ALA  11           HB2      ALA  11  28.857  -4.946  -4.428
   76    HB3  ALA  11           HB3      ALA  11  28.527  -6.289  -3.310
   77    H    GLN  12           H        GLN  12  29.566  -2.723  -4.048
   78    HA   GLN  12           HA       GLN  12  32.259  -2.342  -4.755
   79    HB2  GLN  12           HB2      GLN  12  30.008  -1.395  -5.727
   80    HB3  GLN  12           HB3      GLN  12  30.374  -0.035  -4.639
   81    HG2  GLN  12           HG2      GLN  12  31.539   0.626  -6.847
   82    HG3  GLN  12           HG3      GLN  12  32.548  -0.045  -5.544
   83   HE21  GLN  12          HE22      GLN  12  34.190  -0.991  -6.636
   84   HE22  GLN  12          HE21      GLN  12  33.994  -2.208  -7.853
   85    H    TRP  13           H        TRP  13  30.332  -1.125  -2.084
   86    HA   TRP  13           HA       TRP  13  31.993   0.909  -1.135
   87    HB2  TRP  13           HB2      TRP  13  29.704   0.541  -0.278
   88    HB3  TRP  13           HB3      TRP  13  30.216  -1.005   0.440
   89    HD1  TRP  13           HD1      TRP  13  30.713   2.789   0.887
   90    HE1  TRP  13           HE1      TRP  13  31.353   3.202   3.347
   91    HE3  TRP  13           HE3      TRP  13  31.169  -2.055   2.418
   92    HZ2  TRP  13           HZ2      TRP  13  31.966   1.667   5.640
   93    HZ3  TRP  13           HZ3      TRP  13  31.791  -2.507   4.757
   94    HH2  TRP  13           HH2      TRP  13  32.183  -0.682   6.334
   95    H    LEU  14           H        LEU  14  31.995  -2.584  -0.456
   96    HA   LEU  14           HA       LEU  14  34.134  -2.586   1.394
   97    HB2  LEU  14           HB2      LEU  14  33.074  -4.560  -0.503
   98    HB3  LEU  14           HB3      LEU  14  34.328  -5.084   0.645
   99    HG   LEU  14           HG       LEU  14  31.547  -4.083   1.387
  100   HD11  LEU  14          HD11      LEU  14  31.130  -6.395   2.086
  101   HD12  LEU  14          HD12      LEU  14  31.487  -6.290   0.346
  102   HD13  LEU  14          HD13      LEU  14  32.735  -6.862   1.478
  103   HD21  LEU  14          HD21      LEU  14  32.130  -4.781   3.667
  104   HD22  LEU  14          HD22      LEU  14  33.768  -5.208   3.115
  105   HD23  LEU  14          HD23      LEU  14  33.231  -3.512   3.079
  106    H    ALA  15           H        ALA  15  33.987  -2.988  -2.119
  107    HA   ALA  15           HA       ALA  15  36.665  -3.636  -2.599
  108    HB1  ALA  15           HB1      ALA  15  36.240  -2.911  -4.915
  109    HB2  ALA  15           HB2      ALA  15  34.707  -2.181  -4.387
  110    HB3  ALA  15           HB3      ALA  15  34.937  -3.942  -4.279
  111    H    ASP  16           H        ASP  16  35.131  -0.521  -2.063
  112    HA   ASP  16           HA       ASP  16  37.462   0.973  -2.901
  113    HB2  ASP  16           HB2      ASP  16  34.668   1.642  -2.369
  114    HB3  ASP  16           HB3      ASP  16  35.814   2.517  -1.325
  115    H    DAL  17           H        DAL  17  36.830  -0.798  -0.173
  116    HA   DAL  17           HA       DAL  17  38.666   0.854   1.422
  117    HB1  DAL  17           HB1      DAL  17  39.251  -1.224   2.604
  118    HB2  DAL  17           HB2      DAL  17  39.550  -1.337   0.854
  119    HB3  DAL  17           HB3      DAL  17  38.117  -2.117   1.564
  120    H    GLY  18           H        GLY  18  35.460   0.476   1.207
  121    HA2  GLY  18           HA2      GLY  18  33.678   0.704   2.636
  122    HA3  GLY  18           HA3      GLY  18  34.621  -0.234   3.817
  123    H    TRP  19           H        TRP  19  35.341   0.783   5.579
  124    HA   TRP  19           HA       TRP  19  34.635   3.517   6.022
  125    HB2  TRP  19           HB2      TRP  19  36.121   1.464   7.693
  126    HB3  TRP  19           HB3      TRP  19  35.862   3.136   8.245
  127    HD1  TRP  19           HD1      TRP  19  34.350  -0.163   8.476
  128    HE1  TRP  19           HE1      TRP  19  31.902  -0.005   9.255
  129    HE3  TRP  19           HE3      TRP  19  33.579   4.835   7.722
  130    HZ2  TRP  19           HZ2      TRP  19  29.907   1.978   9.513
  131    HZ3  TRP  19           HZ3      TRP  19  31.373   5.783   8.259
  132    HH2  TRP  19           HH2      TRP  19  29.575   4.382   9.135
  133    H    ALA  20           H        ALA  20  37.598   1.823   5.185
  134    HA   ALA  20           HA       ALA  20  39.182   4.260   5.489
  135    HB1  ALA  20           HB1      ALA  20  41.114   2.822   4.985
  136    HB2  ALA  20           HB2      ALA  20  40.011   1.448   4.743
  137    HB3  ALA  20           HB3      ALA  20  40.153   2.202   6.348
  138    H    SER  21           H        SER  21  37.205   4.434   3.512
  139    HA   SER  21           HA       SER  21  38.589   4.041   0.966
  140    HB2  SER  21           HB2      SER  21  36.284   3.255   1.074
  141    HB3  SER  21           HB3      SER  21  35.739   4.871   1.577
  142    HG   SER  21           HG       SER  21  35.692   5.408  -0.458
  Start of MODEL    7
    1    H1   ARG   1           H1       ARG   1  33.090   7.576   1.122
    2    H2   ARG   1           H2       ARG   1  32.937   8.579   2.228
    3    H3   ARG   1           H3       ARG   1  33.236   7.145   2.553
    4    HA   ARG   1           HA       ARG   1  30.626   8.272   2.374
    5    HB2  ARG   1           HB2      ARG   1  29.578   6.818   0.716
    6    HB3  ARG   1           HB3      ARG   1  30.819   7.878   0.007
    7    HG2  ARG   1           HG2      ARG   1  32.406   6.013  -0.047
    8    HG3  ARG   1           HG3      ARG   1  31.198   4.947   0.709
    9    HD2  ARG   1           HD2      ARG   1  29.740   5.146  -1.222
   10    HD3  ARG   1           HD3      ARG   1  30.819   6.354  -1.958
   11    HE   ARG   1           HE       ARG   1  32.381   4.632  -2.401
   12   HH11  ARG   1          HH11      ARG   1  29.377   3.417  -1.060
   13   HH12  ARG   1          HH12      ARG   1  29.654   1.780  -1.625
   14   HH21  ARG   1          HH21      ARG   1  32.732   2.511  -3.139
   15   HH22  ARG   1          HH22      ARG   1  31.543   1.272  -2.795
   16    HA   PRO   2           HA       PRO   2  30.111   5.001   5.326
   17    HB2  PRO   2           HB2      PRO   2  27.500   5.373   5.987
   18    HB3  PRO   2           HB3      PRO   2  28.736   6.562   6.422
   19    HG2  PRO   2           HG2      PRO   2  26.751   6.620   4.143
   20    HG3  PRO   2           HG3      PRO   2  27.293   7.940   5.185
   21    HD2  PRO   2           HD2      PRO   2  28.282   7.472   2.609
   22    HD3  PRO   2           HD3      PRO   2  29.154   8.385   3.847
   23    HA   PRO   3           HA       PRO   3  28.516   1.266   3.573
   24    HB2  PRO   3           HB2      PRO   3  26.780   0.778   5.947
   25    HB3  PRO   3           HB3      PRO   3  28.107  -0.207   5.317
   26    HG2  PRO   3           HG2      PRO   3  28.293   1.328   7.588
   27    HG3  PRO   3           HG3      PRO   3  29.687   0.871   6.598
   28    HD2  PRO   3           HD2      PRO   3  28.370   3.528   6.871
   29    HD3  PRO   3           HD3      PRO   3  30.005   3.142   6.320
   30    HA   PRO   4           HA       PRO   4  24.528   2.793   2.101
   31    HB2  PRO   4           HB2      PRO   4  24.541   1.561  -0.314
   32    HB3  PRO   4           HB3      PRO   4  25.581   2.956   0.008
   33    HG2  PRO   4           HG2      PRO   4  26.284   0.006   0.038
   34    HG3  PRO   4           HG3      PRO   4  27.183   1.359  -0.664
   35    HD2  PRO   4           HD2      PRO   4  27.805   0.257   1.799
   36    HD3  PRO   4           HD3      PRO   4  28.161   1.940   1.388
   37    H    SER   5           H        SER   5  22.473   1.977   2.116
   38    HA   SER   5           HA       SER   5  21.926  -0.436   3.408
   39    HB2  SER   5           HB2      SER   5  20.144   1.300   1.682
   40    HB3  SER   5           HB3      SER   5  19.556  -0.062   2.664
   41    HG   SER   5           HG       SER   5  19.393   1.966   3.768
   42    H    ASP   6           H        ASP   6  21.619   0.343  -0.062
   43    HA   ASP   6           HA       ASP   6  20.423  -1.985  -0.934
   44    HB2  ASP   6           HB2      ASP   6  22.427  -0.215  -2.452
   45    HB3  ASP   6           HB3      ASP   6  21.517  -1.628  -3.041
   46    H    AIB   7           H        AIB   7  21.197  -3.908  -1.925
   47   HB11  AIB   7          HB11      AIB   7  24.254  -6.088  -0.083
   48   HB12  AIB   7          HB12      AIB   7  24.196  -4.336   0.222
   49   HB13  AIB   7          HB13      AIB   7  22.823  -5.366   0.688
   50   HB21  AIB   7          HB21      AIB   7  21.692  -6.635  -0.973
   51   HB22  AIB   7          HB22      AIB   7  22.559  -6.843  -2.439
   52   HB23  AIB   7          HB23      AIB   7  21.209  -5.788  -2.383
   53    H    ALA   8           H        ALA   8  22.949  -4.121  -3.854
   54    HA   ALA   8           HA       ALA   8  25.329  -5.227  -4.838
   55    HB1  ALA   8           HB1      ALA   8  25.087  -3.652  -6.718
   56    HB2  ALA   8           HB2      ALA   8  23.829  -2.784  -5.809
   57    HB3  ALA   8           HB3      ALA   8  23.556  -4.466  -6.320
   58    H    ALA   9           H        ALA   9  24.697  -1.859  -3.790
   59    HA   ALA   9           HA       ALA   9  27.329  -0.978  -4.303
   60    HB1  ALA   9           HB1      ALA   9  26.718   1.041  -3.039
   61    HB2  ALA   9           HB2      ALA   9  25.227   0.234  -2.502
   62    HB3  ALA   9           HB3      ALA   9  25.477   0.587  -4.229
   63    H    TYR  10           H        TYR  10  25.858  -2.487  -1.503
   64    HA   TYR  10           HA       TYR  10  27.704  -1.729   0.461
   65    HB2  TYR  10           HB2      TYR  10  25.506  -2.859   0.834
   66    HB3  TYR  10           HB3      TYR  10  26.266  -4.373   0.287
   67    HD1  TYR  10           HD2      TYR  10  26.274  -1.804   2.966
   68    HD2  TYR  10           HD1      TYR  10  27.703  -5.621   1.755
   69    HE1  TYR  10           HE2      TYR  10  27.070  -2.223   5.252
   70    HE2  TYR  10           HE1      TYR  10  28.506  -6.051   4.040
   71    HH   TYR  10           HH       TYR  10  27.575  -4.767   6.591
   72    H    ALA  11           H        ALA  11  27.859  -4.197  -2.030
   73    HA   ALA  11           HA       ALA  11  30.068  -5.638  -0.975
   74    HB1  ALA  11           HB1      ALA  11  30.227  -6.641  -3.220
   75    HB2  ALA  11           HB2      ALA  11  29.047  -5.454  -3.819
   76    HB3  ALA  11           HB3      ALA  11  28.559  -6.653  -2.600
   77    H    GLN  12           H        GLN  12  29.831  -3.239  -3.623
   78    HA   GLN  12           HA       GLN  12  32.585  -3.034  -4.124
   79    HB2  GLN  12           HB2      GLN  12  30.486  -2.096  -5.384
   80    HB3  GLN  12           HB3      GLN  12  30.798  -0.658  -4.385
   81    HG2  GLN  12           HG2      GLN  12  33.114  -1.734  -6.203
   82    HG3  GLN  12           HG3      GLN  12  31.623  -0.876  -6.656
   83   HE21  GLN  12          HE22      GLN  12  34.641  -0.719  -4.819
   84   HE22  GLN  12          HE21      GLN  12  34.669   1.005  -4.644
   85    H    TRP  13           H        TRP  13  30.502  -1.430  -1.788
   86    HA   TRP  13           HA       TRP  13  32.178   0.597  -0.886
   87    HB2  TRP  13           HB2      TRP  13  29.813   0.390  -0.187
   88    HB3  TRP  13           HB3      TRP  13  30.210  -1.085   0.726
   89    HD1  TRP  13           HD1      TRP  13  30.830   2.721   0.810
   90    HE1  TRP  13           HE1      TRP  13  31.314   3.369   3.254
   91    HE3  TRP  13           HE3      TRP  13  30.969  -1.943   2.867
   92    HZ2  TRP  13           HZ2      TRP  13  31.699   2.068   5.735
   93    HZ3  TRP  13           HZ3      TRP  13  31.407  -2.166   5.278
   94    HH2  TRP  13           HH2      TRP  13  31.767  -0.199   6.681
   95    H    LEU  14           H        LEU  14  31.958  -2.801   0.152
   96    HA   LEU  14           HA       LEU  14  33.948  -2.699   2.151
   97    HB2  LEU  14           HB2      LEU  14  32.945  -4.814   0.380
   98    HB3  LEU  14           HB3      LEU  14  34.081  -5.266   1.672
   99    HG   LEU  14           HG       LEU  14  31.306  -4.074   2.087
  100   HD11  LEU  14          HD11      LEU  14  30.712  -6.275   2.980
  101   HD12  LEU  14          HD12      LEU  14  31.199  -6.371   1.272
  102   HD13  LEU  14          HD13      LEU  14  32.329  -6.882   2.550
  103   HD21  LEU  14          HD21      LEU  14  31.684  -4.559   4.464
  104   HD22  LEU  14          HD22      LEU  14  33.334  -5.112   4.087
  105   HD23  LEU  14          HD23      LEU  14  32.888  -3.407   3.839
  106    H    ALA  15           H        ALA  15  34.056  -3.473  -1.302
  107    HA   ALA  15           HA       ALA  15  36.749  -4.232  -1.483
  108    HB1  ALA  15           HB1      ALA  15  36.525  -3.781  -3.895
  109    HB2  ALA  15           HB2      ALA  15  34.974  -2.968  -3.582
  110    HB3  ALA  15           HB3      ALA  15  35.149  -4.707  -3.251
  111    H    ASP  16           H        ASP  16  35.257  -1.056  -1.397
  112    HA   ASP  16           HA       ASP  16  37.686   0.295  -2.217
  113    HB2  ASP  16           HB2      ASP  16  34.947   1.010  -2.306
  114    HB3  ASP  16           HB3      ASP  16  35.700   1.859  -0.933
  115    H    DAL  17           H        DAL  17  37.161  -1.277   0.503
  116    HA   DAL  17           HA       DAL  17  38.796   0.536   2.074
  117    HB1  DAL  17           HB1      DAL  17  39.063  -1.372   3.606
  118    HB2  DAL  17           HB2      DAL  17  39.485  -1.788   1.929
  119    HB3  DAL  17           HB3      DAL  17  37.925  -2.310   2.610
  120    H    GLY  18           H        GLY  18  35.483  -0.375   1.867
  121    HA2  GLY  18           HA2      GLY  18  33.630   0.217   3.090
  122    HA3  GLY  18           HA3      GLY  18  34.622  -0.141   4.523
  123    H    TRP  19           H        TRP  19  35.229   1.496   5.806
  124    HA   TRP  19           HA       TRP  19  34.094   4.067   5.434
  125    HB2  TRP  19           HB2      TRP  19  35.912   2.832   7.484
  126    HB3  TRP  19           HB3      TRP  19  35.743   4.603   7.444
  127    HD1  TRP  19           HD1      TRP  19  34.220   1.648   8.958
  128    HE1  TRP  19           HE1      TRP  19  31.904   2.206   9.932
  129    HE3  TRP  19           HE3      TRP  19  33.461   6.176   6.707
  130    HZ2  TRP  19           HZ2      TRP  19  30.007   4.290   9.768
  131    HZ3  TRP  19           HZ3      TRP  19  31.373   7.387   7.170
  132    HH2  TRP  19           HH2      TRP  19  29.679   6.462   8.666
  133    H    ALA  20           H        ALA  20  37.192   2.714   4.595
  134    HA   ALA  20           HA       ALA  20  38.352   5.340   4.076
  135    HB1  ALA  20           HB1      ALA  20  40.388   4.090   3.479
  136    HB2  ALA  20           HB2      ALA  20  39.505   2.565   3.722
  137    HB3  ALA  20           HB3      ALA  20  39.786   3.659   5.097
  138    H    SER  21           H        SER  21  36.056   4.762   2.549
  139    HA   SER  21           HA       SER  21  37.048   4.070  -0.113
  140    HB2  SER  21           HB2      SER  21  35.037   2.905   0.549
  141    HB3  SER  21           HB3      SER  21  34.239   4.439   0.963
  142    HG   SER  21           HG       SER  21  33.900   3.339  -1.246
  Start of MODEL    8
    1    H1   ARG   1           H1       ARG   1  32.270   7.743   1.153
    2    H2   ARG   1           H2       ARG   1  32.074   8.633   2.345
    3    H3   ARG   1           H3       ARG   1  32.621   7.248   2.525
    4    HA   ARG   1           HA       ARG   1  29.866   7.949   2.668
    5    HB2  ARG   1           HB2      ARG   1  28.919   6.387   1.007
    6    HB3  ARG   1           HB3      ARG   1  29.812   7.750   0.292
    7    HG2  ARG   1           HG2      ARG   1  31.616   6.382  -0.361
    8    HG3  ARG   1           HG3      ARG   1  31.131   5.069   0.739
    9    HD2  ARG   1           HD2      ARG   1  29.552   4.254  -0.708
   10    HD3  ARG   1           HD3      ARG   1  29.186   5.859  -1.383
   11    HE   ARG   1           HE       ARG   1  31.158   3.973  -2.322
   12   HH11  ARG   1          HH11      ARG   1  30.158   7.329  -2.296
   13   HH12  ARG   1          HH12      ARG   1  31.009   7.718  -3.778
   14   HH21  ARG   1          HH21      ARG   1  32.270   4.475  -4.245
   15   HH22  ARG   1          HH22      ARG   1  32.200   6.109  -4.876
   16    HA   PRO   2           HA       PRO   2  30.252   4.441   5.377
   17    HB2  PRO   2           HB2      PRO   2  27.782   4.515   6.518
   18    HB3  PRO   2           HB3      PRO   2  28.988   5.765   6.854
   19    HG2  PRO   2           HG2      PRO   2  26.608   5.857   5.001
   20    HG3  PRO   2           HG3      PRO   2  27.269   7.127   6.039
   21    HD2  PRO   2           HD2      PRO   2  27.750   6.917   3.279
   22    HD3  PRO   2           HD3      PRO   2  28.761   7.838   4.400
   23    HA   PRO   3           HA       PRO   3  28.543   0.749   3.661
   24    HB2  PRO   3           HB2      PRO   3  27.211  -0.440   5.828
   25    HB3  PRO   3           HB3      PRO   3  28.945  -0.583   5.507
   26    HG2  PRO   3           HG2      PRO   3  27.499   1.249   7.409
   27    HG3  PRO   3           HG3      PRO   3  29.055   0.430   7.601
   28    HD2  PRO   3           HD2      PRO   3  28.922   3.084   7.002
   29    HD3  PRO   3           HD3      PRO   3  30.225   2.072   6.366
   30    HA   PRO   4           HA       PRO   4  24.311   2.136   2.861
   31    HB2  PRO   4           HB2      PRO   4  24.192   1.377   0.260
   32    HB3  PRO   4           HB3      PRO   4  25.098   2.813   0.754
   33    HG2  PRO   4           HG2      PRO   4  26.122   0.031   0.127
   34    HG3  PRO   4           HG3      PRO   4  26.805   1.599  -0.325
   35    HD2  PRO   4           HD2      PRO   4  27.732   0.084   1.818
   36    HD3  PRO   4           HD3      PRO   4  27.921   1.839   1.720
   37    H    SER   5           H        SER   5  22.459   1.058   3.164
   38    HA   SER   5           HA       SER   5  22.303  -1.622   3.833
   39    HB2  SER   5           HB2      SER   5  20.149   0.240   2.804
   40    HB3  SER   5           HB3      SER   5  19.822  -1.373   3.478
   41    HG   SER   5           HG       SER   5  19.638   0.305   5.060
   42    H    ASP   6           H        ASP   6  21.119  -0.173   0.779
   43    HA   ASP   6           HA       ASP   6  20.337  -2.333  -0.632
   44    HB2  ASP   6           HB2      ASP   6  20.455   0.099  -1.514
   45    HB3  ASP   6           HB3      ASP   6  22.182  -0.301  -1.688
   46    H    AIB   7           H        AIB   7  21.171  -4.117  -1.548
   47   HB11  AIB   7          HB11      AIB   7  24.679  -5.990  -0.535
   48   HB12  AIB   7          HB12      AIB   7  24.389  -4.338   0.060
   49   HB13  AIB   7          HB13      AIB   7  23.221  -5.631   0.418
   50   HB21  AIB   7          HB21      AIB   7  22.101  -6.750  -1.379
   51   HB22  AIB   7          HB22      AIB   7  23.024  -6.679  -2.823
   52   HB23  AIB   7          HB23      AIB   7  21.537  -5.832  -2.713
   53    H    ALA   8           H        ALA   8  22.694  -3.611  -3.803
   54    HA   ALA   8           HA       ALA   8  24.940  -4.288  -5.316
   55    HB1  ALA   8           HB1      ALA   8  24.358  -2.378  -6.757
   56    HB2  ALA   8           HB2      ALA   8  23.223  -1.804  -5.513
   57    HB3  ALA   8           HB3      ALA   8  22.936  -3.359  -6.330
   58    H    ALA   9           H        ALA   9  24.345  -1.247  -3.523
   59    HA   ALA   9           HA       ALA   9  26.883  -0.155  -4.172
   60    HB1  ALA   9           HB1      ALA   9  26.343   1.598  -2.535
   61    HB2  ALA   9           HB2      ALA   9  24.942   0.643  -1.997
   62    HB3  ALA   9           HB3      ALA   9  24.996   1.286  -3.655
   63    H    TYR  10           H        TYR  10  25.735  -2.175  -1.553
   64    HA   TYR  10           HA       TYR  10  27.749  -1.669   0.332
   65    HB2  TYR  10           HB2      TYR  10  25.582  -2.963   0.630
   66    HB3  TYR  10           HB3      TYR  10  26.446  -4.346  -0.084
   67    HD1  TYR  10           HD1      TYR  10  26.823  -1.825   2.674
   68    HD2  TYR  10           HD2      TYR  10  27.587  -5.798   1.359
   69    HE1  TYR  10           HE1      TYR  10  27.775  -2.365   4.875
   70    HE2  TYR  10           HE2      TYR  10  28.547  -6.345   3.556
   71    HH   TYR  10           HH       TYR  10  28.063  -5.013   6.160
   72    H    ALA  11           H        ALA  11  27.694  -3.707  -2.528
   73    HA   ALA  11           HA       ALA  11  30.026  -5.217  -1.933
   74    HB1  ALA  11           HB1      ALA  11  29.979  -5.855  -4.310
   75    HB2  ALA  11           HB2      ALA  11  28.719  -4.632  -4.598
   76    HB3  ALA  11           HB3      ALA  11  28.383  -6.022  -3.540
   77    H    GLN  12           H        GLN  12  29.471  -2.419  -4.095
   78    HA   GLN  12           HA       GLN  12  32.157  -2.052  -4.842
   79    HB2  GLN  12           HB2      GLN  12  29.912  -0.990  -5.701
   80    HB3  GLN  12           HB3      GLN  12  30.326   0.283  -4.528
   81    HG2  GLN  12           HG2      GLN  12  32.212  -0.447  -6.944
   82    HG3  GLN  12           HG3      GLN  12  30.904   0.731  -6.685
   83   HE21  GLN  12          HE22      GLN  12  34.229  -0.070  -6.149
   84   HE22  GLN  12          HE21      GLN  12  34.663   1.357  -5.267
   85    H    TRP  13           H        TRP  13  30.290  -0.874  -2.099
   86    HA   TRP  13           HA       TRP  13  32.038   1.014  -1.043
   87    HB2  TRP  13           HB2      TRP  13  29.739   0.673  -0.189
   88    HB3  TRP  13           HB3      TRP  13  30.213  -0.919   0.450
   89    HD1  TRP  13           HD1      TRP  13  30.934   2.833   1.042
   90    HE1  TRP  13           HE1      TRP  13  31.571   3.110   3.522
   91    HE3  TRP  13           HE3      TRP  13  31.004  -2.086   2.410
   92    HZ2  TRP  13           HZ2      TRP  13  32.037   1.456   5.764
   93    HZ3  TRP  13           HZ3      TRP  13  31.557  -2.660   4.740
   94    HH2  TRP  13           HH2      TRP  13  32.063  -0.921   6.381
   95    H    LEU  14           H        LEU  14  31.888  -2.501  -0.485
   96    HA   LEU  14           HA       LEU  14  34.040  -2.669   1.332
   97    HB2  LEU  14           HB2      LEU  14  32.883  -4.519  -0.629
   98    HB3  LEU  14           HB3      LEU  14  34.122  -5.142   0.486
   99    HG   LEU  14           HG       LEU  14  31.395  -4.048   1.292
  100   HD11  LEU  14          HD11      LEU  14  30.876  -6.363   1.904
  101   HD12  LEU  14          HD12      LEU  14  31.222  -6.204   0.166
  102   HD13  LEU  14          HD13      LEU  14  32.452  -6.881   1.260
  103   HD21  LEU  14          HD21      LEU  14  31.957  -4.863   3.536
  104   HD22  LEU  14          HD22      LEU  14  33.572  -5.339   2.956
  105   HD23  LEU  14          HD23      LEU  14  33.110  -3.621   2.991
  106    H    ALA  15           H        ALA  15  33.872  -2.952  -2.194
  107    HA   ALA  15           HA       ALA  15  36.532  -3.673  -2.689
  108    HB1  ALA  15           HB1      ALA  15  36.131  -2.885  -4.987
  109    HB2  ALA  15           HB2      ALA  15  34.619  -2.123  -4.443
  110    HB3  ALA  15           HB3      ALA  15  34.797  -3.892  -4.376
  111    H    ASP  16           H        ASP  16  35.077  -0.529  -2.103
  112    HA   ASP  16           HA       ASP  16  37.432   0.933  -2.911
  113    HB2  ASP  16           HB2      ASP  16  34.676   1.642  -2.443
  114    HB3  ASP  16           HB3      ASP  16  35.743   2.383  -1.225
  115    H    DAL  17           H        DAL  17  36.778  -0.888  -0.210
  116    HA   DAL  17           HA       DAL  17  38.663   0.690   1.404
  117    HB1  DAL  17           HB1      DAL  17  39.248  -1.430   2.511
  118    HB2  DAL  17           HB2      DAL  17  39.525  -1.484   0.755
  119    HB3  DAL  17           HB3      DAL  17  38.096  -2.280   1.454
  120    H    GLY  18           H        GLY  18  35.451   0.346   1.224
  121    HA2  GLY  18           HA2      GLY  18  33.687   0.502   2.686
  122    HA3  GLY  18           HA3      GLY  18  34.665  -0.434   3.840
  123    H    TRP  19           H        TRP  19  35.222   0.573   5.652
  124    HA   TRP  19           HA       TRP  19  34.565   3.313   6.072
  125    HB2  TRP  19           HB2      TRP  19  35.900   1.189   7.764
  126    HB3  TRP  19           HB3      TRP  19  35.812   2.878   8.318
  127    HD1  TRP  19           HD1      TRP  19  33.993  -0.241   8.605
  128    HE1  TRP  19           HE1      TRP  19  31.564   0.156   9.359
  129    HE3  TRP  19           HE3      TRP  19  33.680   4.786   7.725
  130    HZ2  TRP  19           HZ2      TRP  19  29.757   2.314   9.555
  131    HZ3  TRP  19           HZ3      TRP  19  31.566   5.940   8.221
  132    HH2  TRP  19           HH2      TRP  19  29.645   4.729   9.117
  133    H    ALA  20           H        ALA  20  37.517   1.593   5.287
  134    HA   ALA  20           HA       ALA  20  39.128   4.005   5.654
  135    HB1  ALA  20           HB1      ALA  20  41.052   2.544   5.175
  136    HB2  ALA  20           HB2      ALA  20  39.936   1.188   4.895
  137    HB3  ALA  20           HB3      ALA  20  40.056   1.922   6.512
  138    H    SER  21           H        SER  21  37.184   4.203   3.640
  139    HA   SER  21           HA       SER  21  38.611   3.824   1.117
  140    HB2  SER  21           HB2      SER  21  36.300   3.064   1.157
  141    HB3  SER  21           HB3      SER  21  35.757   4.670   1.696
  142    HG   SER  21           HG       SER  21  37.024   4.074  -0.792
  Start of MODEL    9
    1    H1   ARG   1           H1       ARG   1  32.520   8.033   1.242
    2    H2   ARG   1           H2       ARG   1  32.097   9.012   2.297
    3    H3   ARG   1           H3       ARG   1  32.607   7.658   2.692
    4    HA   ARG   1           HA       ARG   1  29.872   8.311   2.256
    5    HB2  ARG   1           HB2      ARG   1  29.273   6.577   0.588
    6    HB3  ARG   1           HB3      ARG   1  30.236   7.926  -0.059
    7    HG2  ARG   1           HG2      ARG   1  32.223   6.573  -0.128
    8    HG3  ARG   1           HG3      ARG   1  31.422   5.257   0.765
    9    HD2  ARG   1           HD2      ARG   1  30.204   4.565  -1.075
   10    HD3  ARG   1           HD3      ARG   1  30.224   6.176  -1.829
   11    HE   ARG   1           HE       ARG   1  32.168   4.078  -2.142
   12   HH11  ARG   1          HH11      ARG   1  31.629   7.533  -2.328
   13   HH12  ARG   1          HH12      ARG   1  32.942   7.798  -3.458
   14   HH21  ARG   1          HH21      ARG   1  33.874   4.417  -3.613
   15   HH22  ARG   1          HH22      ARG   1  34.207   6.041  -4.182
   16    HA   PRO   2           HA       PRO   2  29.803   5.018   5.253
   17    HB2  PRO   2           HB2      PRO   2  27.239   5.284   6.089
   18    HB3  PRO   2           HB3      PRO   2  28.439   6.537   6.436
   19    HG2  PRO   2           HG2      PRO   2  26.292   6.486   4.310
   20    HG3  PRO   2           HG3      PRO   2  26.860   7.842   5.293
   21    HD2  PRO   2           HD2      PRO   2  27.669   7.332   2.643
   22    HD3  PRO   2           HD3      PRO   2  28.547   8.366   3.777
   23    HA   PRO   3           HA       PRO   3  28.341   1.220   3.519
   24    HB2  PRO   3           HB2      PRO   3  26.694   0.759   5.985
   25    HB3  PRO   3           HB3      PRO   3  27.934  -0.275   5.262
   26    HG2  PRO   3           HG2      PRO   3  28.366   1.228   7.505
   27    HG3  PRO   3           HG3      PRO   3  29.657   0.781   6.383
   28    HD2  PRO   3           HD2      PRO   3  28.410   3.444   6.834
   29    HD3  PRO   3           HD3      PRO   3  29.968   3.052   6.096
   30    HA   PRO   4           HA       PRO   4  24.288   2.676   2.132
   31    HB2  PRO   4           HB2      PRO   4  24.317   1.497  -0.312
   32    HB3  PRO   4           HB3      PRO   4  25.297   2.929   0.030
   33    HG2  PRO   4           HG2      PRO   4  26.131   0.016  -0.032
   34    HG3  PRO   4           HG3      PRO   4  26.967   1.429  -0.689
   35    HD2  PRO   4           HD2      PRO   4  27.634   0.270   1.741
   36    HD3  PRO   4           HD3      PRO   4  27.934   1.974   1.377
   37    H    SER   5           H        SER   5  22.251   1.784   2.056
   38    HA   SER   5           HA       SER   5  21.783  -0.679   3.302
   39    HB2  SER   5           HB2      SER   5  19.954   1.031   1.598
   40    HB3  SER   5           HB3      SER   5  19.409  -0.375   2.541
   41    HG   SER   5           HG       SER   5  19.152   1.617   3.688
   42    H    ASP   6           H        ASP   6  21.438   0.191  -0.143
   43    HA   ASP   6           HA       ASP   6  20.417  -2.146  -1.144
   44    HB2  ASP   6           HB2      ASP   6  22.430  -0.263  -2.503
   45    HB3  ASP   6           HB3      ASP   6  21.608  -1.691  -3.179
   46    H    AIB   7           H        AIB   7  21.294  -4.025  -2.118
   47   HB11  AIB   7          HB11      AIB   7  24.378  -6.089  -0.165
   48   HB12  AIB   7          HB12      AIB   7  24.251  -4.337   0.114
   49   HB13  AIB   7          HB13      AIB   7  22.905  -5.410   0.564
   50   HB21  AIB   7          HB21      AIB   7  21.878  -6.761  -1.138
   51   HB22  AIB   7          HB22      AIB   7  22.762  -6.912  -2.599
   52   HB23  AIB   7          HB23      AIB   7  21.365  -5.921  -2.541
   53    H    ALA   8           H        ALA   8  23.098  -4.119  -3.965
   54    HA   ALA   8           HA       ALA   8  25.498  -5.195  -4.936
   55    HB1  ALA   8           HB1      ALA   8  25.277  -3.586  -6.786
   56    HB2  ALA   8           HB2      ALA   8  24.002  -2.741  -5.878
   57    HB3  ALA   8           HB3      ALA   8  23.743  -4.414  -6.428
   58    H    ALA   9           H        ALA   9  24.832  -1.858  -3.828
   59    HA   ALA   9           HA       ALA   9  27.478  -0.968  -4.279
   60    HB1  ALA   9           HB1      ALA   9  26.818   1.054  -3.044
   61    HB2  ALA   9           HB2      ALA   9  25.311   0.243  -2.558
   62    HB3  ALA   9           HB3      ALA   9  25.620   0.590  -4.275
   63    H    TYR  10           H        TYR  10  25.918  -2.460  -1.515
   64    HA   TYR  10           HA       TYR  10  27.709  -1.686   0.501
   65    HB2  TYR  10           HB2      TYR  10  25.474  -2.812   0.773
   66    HB3  TYR  10           HB3      TYR  10  26.279  -4.336   0.326
   67    HD1  TYR  10           HD2      TYR  10  26.290  -1.604   2.868
   68    HD2  TYR  10           HD1      TYR  10  27.435  -5.598   1.967
   69    HE1  TYR  10           HE2      TYR  10  26.926  -1.943   5.217
   70    HE2  TYR  10           HE1      TYR  10  28.083  -5.946   4.315
   71    HH   TYR  10           HH       TYR  10  28.808  -3.853   6.355
   72    H    ALA  11           H        ALA  11  27.901  -4.244  -1.916
   73    HA   ALA  11           HA       ALA  11  30.092  -5.638  -0.758
   74    HB1  ALA  11           HB1      ALA  11  30.271  -6.762  -2.941
   75    HB2  ALA  11           HB2      ALA  11  29.100  -5.608  -3.617
   76    HB3  ALA  11           HB3      ALA  11  28.597  -6.738  -2.338
   77    H    GLN  12           H        GLN  12  29.884  -3.371  -3.517
   78    HA   GLN  12           HA       GLN  12  32.639  -3.211  -4.022
   79    HB2  GLN  12           HB2      GLN  12  30.541  -2.327  -5.330
   80    HB3  GLN  12           HB3      GLN  12  30.873  -0.837  -4.416
   81    HG2  GLN  12           HG2      GLN  12  32.259  -0.556  -6.579
   82    HG3  GLN  12           HG3      GLN  12  33.111  -1.043  -5.095
   83   HE21  GLN  12          HE22      GLN  12  34.816  -2.169  -5.879
   84   HE22  GLN  12          HE21      GLN  12  34.690  -3.559  -6.906
   85    H    TRP  13           H        TRP  13  30.561  -1.499  -1.762
   86    HA   TRP  13           HA       TRP  13  32.253   0.569  -0.971
   87    HB2  TRP  13           HB2      TRP  13  29.888   0.447  -0.269
   88    HB3  TRP  13           HB3      TRP  13  30.244  -0.998   0.706
   89    HD1  TRP  13           HD1      TRP  13  30.882   2.799   0.658
   90    HE1  TRP  13           HE1      TRP  13  31.395   3.531   3.073
   91    HE3  TRP  13           HE3      TRP  13  31.058  -1.790   2.870
   92    HZ2  TRP  13           HZ2      TRP  13  31.819   2.317   5.588
   93    HZ3  TRP  13           HZ3      TRP  13  31.530  -1.930   5.283
   94    HH2  TRP  13           HH2      TRP  13  31.903   0.084   6.612
   95    H    LEU  14           H        LEU  14  32.024  -2.784   0.198
   96    HA   LEU  14           HA       LEU  14  34.003  -2.591   2.213
   97    HB2  LEU  14           HB2      LEU  14  33.005  -4.788   0.541
   98    HB3  LEU  14           HB3      LEU  14  34.128  -5.176   1.865
   99    HG   LEU  14           HG       LEU  14  31.347  -3.974   2.190
  100   HD11  LEU  14          HD11      LEU  14  30.755  -6.137   3.180
  101   HD12  LEU  14          HD12      LEU  14  31.264  -6.308   1.483
  102   HD13  LEU  14          HD13      LEU  14  32.381  -6.751   2.797
  103   HD21  LEU  14          HD21      LEU  14  31.698  -4.344   4.592
  104   HD22  LEU  14          HD22      LEU  14  33.354  -4.908   4.262
  105   HD23  LEU  14          HD23      LEU  14  32.906  -3.218   3.928
  106    H    ALA  15           H        ALA  15  34.116  -3.537  -1.197
  107    HA   ALA  15           HA       ALA  15  36.766  -4.377  -1.361
  108    HB1  ALA  15           HB1      ALA  15  36.588  -3.927  -3.775
  109    HB2  ALA  15           HB2      ALA  15  35.076  -3.037  -3.480
  110    HB3  ALA  15           HB3      ALA  15  35.163  -4.781  -3.138
  111    H    ASP  16           H        ASP  16  35.443  -1.117  -1.354
  112    HA   ASP  16           HA       ASP  16  37.994   0.056  -2.098
  113    HB2  ASP  16           HB2      ASP  16  35.287   0.929  -2.350
  114    HB3  ASP  16           HB3      ASP  16  36.085   1.837  -1.043
  115    H    DAL  17           H        DAL  17  37.344  -1.398   0.595
  116    HA   DAL  17           HA       DAL  17  38.945   0.384   2.208
  117    HB1  DAL  17           HB1      DAL  17  38.964  -1.455   3.841
  118    HB2  DAL  17           HB2      DAL  17  39.451  -1.990   2.216
  119    HB3  DAL  17           HB3      DAL  17  37.817  -2.354   2.820
  120    H    GLY  18           H        GLY  18  35.584  -0.333   1.862
  121    HA2  GLY  18           HA2      GLY  18  33.710   0.441   2.943
  122    HA3  GLY  18           HA3      GLY  18  34.612   0.148   4.448
  123    H    TRP  19           H        TRP  19  35.340   1.843   5.603
  124    HA   TRP  19           HA       TRP  19  34.348   4.440   4.985
  125    HB2  TRP  19           HB2      TRP  19  36.149   3.379   7.186
  126    HB3  TRP  19           HB3      TRP  19  35.716   5.100   7.060
  127    HD1  TRP  19           HD1      TRP  19  34.527   1.904   8.491
  128    HE1  TRP  19           HE1      TRP  19  32.143   2.180   9.423
  129    HE3  TRP  19           HE3      TRP  19  33.354   6.417   6.396
  130    HZ2  TRP  19           HZ2      TRP  19  30.043   4.064   9.287
  131    HZ3  TRP  19           HZ3      TRP  19  31.140   7.388   6.846
  132    HH2  TRP  19           HH2      TRP  19  29.519   6.234   8.261
  133    H    ALA  20           H        ALA  20  37.464   2.860   4.629
  134    HA   ALA  20           HA       ALA  20  39.025   5.173   4.163
  135    HB1  ALA  20           HB1      ALA  20  40.674   3.629   3.185
  136    HB2  ALA  20           HB2      ALA  20  39.460   2.331   3.226
  137    HB3  ALA  20           HB3      ALA  20  40.049   3.045   4.745
  138    H    SER  21           H        SER  21  36.647   3.634   2.243
  139    HA   SER  21           HA       SER  21  37.494   3.944  -0.355
  140    HB2  SER  21           HB2      SER  21  35.364   2.882   0.276
  141    HB3  SER  21           HB3      SER  21  34.708   4.477   0.711
  142    HG   SER  21           HG       SER  21  34.326   3.521  -1.537
  Start of MODEL   10
    1    H1   ARG   1           H1       ARG   1  32.635   7.490   1.382
    2    H2   ARG   1           H2       ARG   1  32.409   8.454   2.509
    3    H3   ARG   1           H3       ARG   1  32.741   7.021   2.803
    4    HA   ARG   1           HA       ARG   1  30.106   8.073   2.549
    5    HB2  ARG   1           HB2      ARG   1  29.162   6.660   0.818
    6    HB3  ARG   1           HB3      ARG   1  30.436   7.723   0.177
    7    HG2  ARG   1           HG2      ARG   1  31.696   5.296   0.944
    8    HG3  ARG   1           HG3      ARG   1  30.224   4.845   0.050
    9    HD2  ARG   1           HD2      ARG   1  32.195   6.901  -0.981
   10    HD3  ARG   1           HD3      ARG   1  32.355   5.163  -1.328
   11    HE   ARG   1           HE       ARG   1  30.356   5.269  -2.593
   12   HH11  ARG   1          HH11      ARG   1  31.392   8.417  -1.444
   13   HH12  ARG   1          HH12      ARG   1  30.412   9.291  -2.604
   14   HH21  ARG   1          HH21      ARG   1  29.090   6.404  -4.098
   15   HH22  ARG   1          HH22      ARG   1  29.116   8.157  -4.099
   16    HA   PRO   2           HA       PRO   2  29.839   4.809   5.608
   17    HB2  PRO   2           HB2      PRO   2  26.928   5.384   5.707
   18    HB3  PRO   2           HB3      PRO   2  28.137   5.569   6.984
   19    HG2  PRO   2           HG2      PRO   2  27.008   7.701   5.728
   20    HG3  PRO   2           HG3      PRO   2  28.656   7.747   6.368
   21    HD2  PRO   2           HD2      PRO   2  27.736   7.435   3.501
   22    HD3  PRO   2           HD3      PRO   2  29.139   8.304   4.137
   23    HA   PRO   3           HA       PRO   3  28.462   1.134   3.571
   24    HB2  PRO   3           HB2      PRO   3  26.950  -0.060   5.649
   25    HB3  PRO   3           HB3      PRO   3  28.687  -0.270   5.388
   26    HG2  PRO   3           HG2      PRO   3  27.251   1.568   7.282
   27    HG3  PRO   3           HG3      PRO   3  28.784   0.712   7.490
   28    HD2  PRO   3           HD2      PRO   3  28.738   3.374   6.964
   29    HD3  PRO   3           HD3      PRO   3  30.013   2.348   6.295
   30    HA   PRO   4           HA       PRO   4  24.295   2.406   2.421
   31    HB2  PRO   4           HB2      PRO   4  24.316   1.419  -0.104
   32    HB3  PRO   4           HB3      PRO   4  25.231   2.873   0.318
   33    HG2  PRO   4           HG2      PRO   4  26.212   0.023   0.004
   34    HG3  PRO   4           HG3      PRO   4  26.967   1.528  -0.538
   35    HD2  PRO   4           HD2      PRO   4  27.713   0.186   1.786
   36    HD3  PRO   4           HD3      PRO   4  27.966   1.919   1.543
   37    H    SER   5           H        SER   5  22.376   1.397   2.614
   38    HA   SER   5           HA       SER   5  22.125  -1.223   3.515
   39    HB2  SER   5           HB2      SER   5  20.076   0.597   2.228
   40    HB3  SER   5           HB3      SER   5  19.676  -0.953   3.003
   41    HG   SER   5           HG       SER   5  19.445   0.845   4.441
   42    H    ASP   6           H        ASP   6  21.353   0.046   0.259
   43    HA   ASP   6           HA       ASP   6  20.467  -2.196  -1.000
   44    HB2  ASP   6           HB2      ASP   6  20.769   0.126  -2.093
   45    HB3  ASP   6           HB3      ASP   6  22.481  -0.363  -2.105
   46    H    AIB   7           H        AIB   7  21.254  -4.083  -1.756
   47   HB11  AIB   7          HB11      AIB   7  24.585  -6.098  -0.383
   48   HB12  AIB   7          HB12      AIB   7  24.367  -4.403   0.113
   49   HB13  AIB   7          HB13      AIB   7  23.103  -5.604   0.467
   50   HB21  AIB   7          HB21      AIB   7  22.061  -6.770  -1.302
   51   HB22  AIB   7          HB22      AIB   7  22.968  -6.787  -2.758
   52   HB23  AIB   7          HB23      AIB   7  21.520  -5.874  -2.660
   53    H    ALA   8           H        ALA   8  22.927  -3.879  -3.929
   54    HA   ALA   8           HA       ALA   8  25.261  -4.725  -5.207
   55    HB1  ALA   8           HB1      ALA   8  24.832  -2.931  -6.839
   56    HB2  ALA   8           HB2      ALA   8  23.627  -2.234  -5.733
   57    HB3  ALA   8           HB3      ALA   8  23.358  -3.845  -6.440
   58    H    ALA   9           H        ALA   9  24.610  -1.560  -3.671
   59    HA   ALA   9           HA       ALA   9  27.192  -0.535  -4.261
   60    HB1  ALA   9           HB1      ALA   9  26.585   1.334  -2.782
   61    HB2  ALA   9           HB2      ALA   9  25.145   0.432  -2.256
   62    HB3  ALA   9           HB3      ALA   9  25.297   0.955  -3.950
   63    H    TYR  10           H        TYR  10  25.868  -2.320  -1.544
   64    HA   TYR  10           HA       TYR  10  27.801  -1.705   0.385
   65    HB2  TYR  10           HB2      TYR  10  25.598  -2.931   0.682
   66    HB3  TYR  10           HB3      TYR  10  26.462  -4.383   0.121
   67    HD1  TYR  10           HD1      TYR  10  26.649  -1.692   2.726
   68    HD2  TYR  10           HD2      TYR  10  27.627  -5.700   1.685
   69    HE1  TYR  10           HE1      TYR  10  27.488  -2.072   5.004
   70    HE2  TYR  10           HE2      TYR  10  28.472  -6.089   3.964
   71    HH   TYR  10           HH       TYR  10  27.794  -4.655   6.448
   72    H    ALA  11           H        ALA  11  27.856  -3.959  -2.307
   73    HA   ALA  11           HA       ALA  11  30.123  -5.456  -1.459
   74    HB1  ALA  11           HB1      ALA  11  30.183  -6.297  -3.771
   75    HB2  ALA  11           HB2      ALA  11  28.963  -5.086  -4.229
   76    HB3  ALA  11           HB3      ALA  11  28.548  -6.373  -3.072
   77    H    GLN  12           H        GLN  12  29.737  -2.862  -3.895
   78    HA   GLN  12           HA       GLN  12  32.463  -2.605  -4.525
   79    HB2  GLN  12           HB2      GLN  12  30.286  -1.605  -5.603
   80    HB3  GLN  12           HB3      GLN  12  30.658  -0.229  -4.538
   81    HG2  GLN  12           HG2      GLN  12  31.942   0.357  -6.685
   82    HG3  GLN  12           HG3      GLN  12  32.880  -0.383  -5.367
   83   HE21  GLN  12          HE22      GLN  12  34.399  -1.663  -6.204
   84   HE22  GLN  12          HE21      GLN  12  34.180  -2.769  -7.519
   85    H    TRP  13           H        TRP  13  30.500  -1.222  -1.965
   86    HA   TRP  13           HA       TRP  13  32.222   0.763  -1.014
   87    HB2  TRP  13           HB2      TRP  13  29.892   0.560  -0.240
   88    HB3  TRP  13           HB3      TRP  13  30.269  -1.003   0.522
   89    HD1  TRP  13           HD1      TRP  13  31.138   2.750   0.914
   90    HE1  TRP  13           HE1      TRP  13  31.625   3.157   3.410
   91    HE3  TRP  13           HE3      TRP  13  30.854  -2.063   2.601
   92    HZ2  TRP  13           HZ2      TRP  13  31.854   1.644   5.781
   93    HZ3  TRP  13           HZ3      TRP  13  31.225  -2.506   4.994
   94    HH2  TRP  13           HH2      TRP  13  31.714  -0.686   6.550
   95    H    LEU  14           H        LEU  14  31.964  -2.681  -0.129
   96    HA   LEU  14           HA       LEU  14  34.022  -2.731   1.792
   97    HB2  LEU  14           HB2      LEU  14  32.942  -4.719  -0.077
   98    HB3  LEU  14           HB3      LEU  14  34.106  -5.265   1.152
   99    HG   LEU  14           HG       LEU  14  31.354  -4.084   1.702
  100   HD11  LEU  14          HD11      LEU  14  30.778  -6.329   2.497
  101   HD12  LEU  14          HD12      LEU  14  31.224  -6.335   0.775
  102   HD13  LEU  14          HD13      LEU  14  32.383  -6.911   1.996
  103   HD21  LEU  14          HD21      LEU  14  31.779  -4.686   4.042
  104   HD22  LEU  14          HD22      LEU  14  33.422  -5.216   3.604
  105   HD23  LEU  14          HD23      LEU  14  32.969  -3.502   3.450
  106    H    ALA  15           H        ALA  15  34.035  -3.271  -1.705
  107    HA   ALA  15           HA       ALA  15  36.690  -4.092  -2.013
  108    HB1  ALA  15           HB1      ALA  15  36.432  -3.441  -4.373
  109    HB2  ALA  15           HB2      ALA  15  34.920  -2.601  -3.958
  110    HB3  ALA  15           HB3      ALA  15  35.036  -4.367  -3.771
  111    H    ASP  16           H        ASP  16  35.333  -0.866  -1.666
  112    HA   ASP  16           HA       ASP  16  37.851   0.399  -2.380
  113    HB2  ASP  16           HB2      ASP  16  35.153   1.264  -2.537
  114    HB3  ASP  16           HB3      ASP  16  35.910   2.029  -1.118
  115    H    DAL  17           H        DAL  17  37.250  -1.276   0.212
  116    HA   DAL  17           HA       DAL  17  38.832   0.447   1.937
  117    HB1  DAL  17           HB1      DAL  17  39.081  -1.550   3.351
  118    HB2  DAL  17           HB2      DAL  17  39.549  -1.852   1.662
  119    HB3  DAL  17           HB3      DAL  17  37.981  -2.435   2.268
  120    H    GLY  18           H        GLY  18  35.541  -0.171   1.501
  121    HA2  GLY  18           HA2      GLY  18  33.662   0.344   2.719
  122    HA3  GLY  18           HA3      GLY  18  34.544  -0.294   4.126
  123    H    TRP  19           H        TRP  19  35.039   1.086   5.701
  124    HA   TRP  19           HA       TRP  19  34.179   3.773   5.626
  125    HB2  TRP  19           HB2      TRP  19  35.824   2.165   7.589
  126    HB3  TRP  19           HB3      TRP  19  35.557   3.908   7.829
  127    HD1  TRP  19           HD1      TRP  19  34.097   0.677   8.695
  128    HE1  TRP  19           HE1      TRP  19  31.686   0.959   9.550
  129    HE3  TRP  19           HE3      TRP  19  33.248   5.478   7.160
  130    HZ2  TRP  19           HZ2      TRP  19  29.690   2.953   9.571
  131    HZ3  TRP  19           HZ3      TRP  19  31.060   6.499   7.636
  132    HH2  TRP  19           HH2      TRP  19  29.319   5.261   8.816
  133    H    ALA  20           H        ALA  20  37.268   2.260   4.970
  134    HA   ALA  20           HA       ALA  20  38.643   4.829   4.838
  135    HB1  ALA  20           HB1      ALA  20  40.657   3.488   4.381
  136    HB2  ALA  20           HB2      ALA  20  39.659   2.016   4.376
  137    HB3  ALA  20           HB3      ALA  20  39.829   2.969   5.868
  138    H    SER  21           H        SER  21  36.566   4.668   3.000
  139    HA   SER  21           HA       SER  21  37.791   4.027   0.422
  140    HB2  SER  21           HB2      SER  21  35.593   3.129   0.638
  141    HB3  SER  21           HB3      SER  21  34.952   4.674   1.245
  142    HG   SER  21           HG       SER  21  36.094   4.430  -1.344
  Start of MODEL   11
    1    H1   ARG   1           H1       ARG   1  31.978   7.617   1.428
    2    H2   ARG   1           H2       ARG   1  31.822   8.453   2.664
    3    H3   ARG   1           H3       ARG   1  32.246   7.018   2.777
    4    HA   ARG   1           HA       ARG   1  29.556   7.942   2.889
    5    HB2  ARG   1           HB2      ARG   1  28.572   6.451   1.127
    6    HB3  ARG   1           HB3      ARG   1  29.444   7.889   0.546
    7    HG2  ARG   1           HG2      ARG   1  31.107   6.661  -0.435
    8    HG3  ARG   1           HG3      ARG   1  31.008   5.362   0.778
    9    HD2  ARG   1           HD2      ARG   1  29.531   4.171  -0.450
   10    HD3  ARG   1           HD3      ARG   1  28.595   5.619  -0.892
   11    HE   ARG   1           HE       ARG   1  30.691   4.359  -2.417
   12   HH11  ARG   1          HH11      ARG   1  28.924   7.333  -1.873
   13   HH12  ARG   1          HH12      ARG   1  29.264   7.967  -3.472
   14   HH21  ARG   1          HH21      ARG   1  31.135   5.179  -4.495
   15   HH22  ARG   1          HH22      ARG   1  30.511   6.753  -4.949
   16    HA   PRO   2           HA       PRO   2  29.874   4.434   5.678
   17    HB2  PRO   2           HB2      PRO   2  26.986   4.985   6.191
   18    HB3  PRO   2           HB3      PRO   2  28.335   4.958   7.335
   19    HG2  PRO   2           HG2      PRO   2  27.178   7.278   6.559
   20    HG3  PRO   2           HG3      PRO   2  28.905   7.184   6.932
   21    HD2  PRO   2           HD2      PRO   2  27.547   7.309   4.228
   22    HD3  PRO   2           HD3      PRO   2  29.077   8.029   4.744
   23    HA   PRO   3           HA       PRO   3  28.398   0.835   3.603
   24    HB2  PRO   3           HB2      PRO   3  26.939   0.077   6.116
   25    HB3  PRO   3           HB3      PRO   3  28.111  -0.859   5.178
   26    HG2  PRO   3           HG2      PRO   3  28.733   0.393   7.533
   27    HG3  PRO   3           HG3      PRO   3  29.924   0.072   6.265
   28    HD2  PRO   3           HD2      PRO   3  28.770   2.667   7.119
   29    HD3  PRO   3           HD3      PRO   3  30.221   2.356   6.156
   30    HA   PRO   4           HA       PRO   4  24.232   2.306   2.632
   31    HB2  PRO   4           HB2      PRO   4  24.145   1.379   0.074
   32    HB3  PRO   4           HB3      PRO   4  25.072   2.823   0.507
   33    HG2  PRO   4           HG2      PRO   4  26.045  -0.016   0.087
   34    HG3  PRO   4           HG3      PRO   4  26.772   1.503  -0.453
   35    HD2  PRO   4           HD2      PRO   4  27.646   0.134   1.787
   36    HD3  PRO   4           HD3      PRO   4  27.818   1.885   1.613
   37    H    SER   5           H        SER   5  22.226   1.352   2.577
   38    HA   SER   5           HA       SER   5  21.919  -1.274   3.520
   39    HB2  SER   5           HB2      SER   5  19.933   0.604   2.220
   40    HB3  SER   5           HB3      SER   5  19.487  -0.945   2.970
   41    HG   SER   5           HG       SER   5  19.274   0.842   4.428
   42    H    ASP   6           H        ASP   6  20.986   0.013   0.310
   43    HA   ASP   6           HA       ASP   6  20.216  -2.215  -0.997
   44    HB2  ASP   6           HB2      ASP   6  20.422   0.131  -2.042
   45    HB3  ASP   6           HB3      ASP   6  22.156  -0.274  -2.058
   46    H    AIB   7           H        AIB   7  21.056  -4.044  -1.844
   47   HB11  AIB   7          HB11      AIB   7  24.455  -5.968  -0.521
   48   HB12  AIB   7          HB12      AIB   7  24.189  -4.281  -0.021
   49   HB13  AIB   7          HB13      AIB   7  22.967  -5.521   0.346
   50   HB21  AIB   7          HB21      AIB   7  21.935  -6.722  -1.447
   51   HB22  AIB   7          HB22      AIB   7  22.855  -6.692  -2.895
   52   HB23  AIB   7          HB23      AIB   7  21.380  -5.823  -2.798
   53    H    ALA   8           H        ALA   8  22.727  -3.677  -3.978
   54    HA   ALA   8           HA       ALA   8  25.063  -4.465  -5.314
   55    HB1  ALA   8           HB1      ALA   8  24.600  -2.592  -6.860
   56    HB2  ALA   8           HB2      ALA   8  23.408  -1.947  -5.709
   57    HB3  ALA   8           HB3      ALA   8  23.129  -3.522  -6.488
   58    H    ALA   9           H        ALA   9  24.414  -1.392  -3.596
   59    HA   ALA   9           HA       ALA   9  26.974  -0.316  -4.199
   60    HB1  ALA   9           HB1      ALA   9  26.374   1.483  -2.635
   61    HB2  ALA   9           HB2      ALA   9  24.952   0.543  -2.125
   62    HB3  ALA   9           HB3      ALA   9  25.072   1.137  -3.798
   63    H    TYR  10           H        TYR  10  25.735  -2.260  -1.569
   64    HA   TYR  10           HA       TYR  10  27.679  -1.702   0.381
   65    HB2  TYR  10           HB2      TYR  10  25.586  -2.858   0.862
   66    HB3  TYR  10           HB3      TYR  10  26.125  -4.244  -0.118
   67    HD1  TYR  10           HD1      TYR  10  26.968  -2.285   2.947
   68    HD2  TYR  10           HD2      TYR  10  27.379  -5.983   0.889
   69    HE1  TYR  10           HE1      TYR  10  28.025  -3.270   4.938
   70    HE2  TYR  10           HE2      TYR  10  28.442  -6.975   2.870
   71    HH   TYR  10           HH       TYR  10  29.115  -6.653   4.958
   72    H    ALA  11           H        ALA  11  27.726  -3.821  -2.417
   73    HA   ALA  11           HA       ALA  11  30.024  -5.324  -1.662
   74    HB1  ALA  11           HB1      ALA  11  30.035  -6.095  -4.001
   75    HB2  ALA  11           HB2      ALA  11  28.789  -4.887  -4.389
   76    HB3  ALA  11           HB3      ALA  11  28.420  -6.215  -3.263
   77    H    GLN  12           H        GLN  12  29.530  -2.639  -3.972
   78    HA   GLN  12           HA       GLN  12  32.235  -2.325  -4.681
   79    HB2  GLN  12           HB2      GLN  12  30.013  -1.316  -5.655
   80    HB3  GLN  12           HB3      GLN  12  30.403   0.025  -4.552
   81    HG2  GLN  12           HG2      GLN  12  31.608   0.696  -6.726
   82    HG3  GLN  12           HG3      GLN  12  32.594  -0.057  -5.450
   83   HE21  GLN  12          HE22      GLN  12  34.181  -1.075  -6.542
   84   HE22  GLN  12          HE21      GLN  12  33.931  -2.231  -7.808
   85    H    TRP  13           H        TRP  13  30.332  -1.078  -2.003
   86    HA   TRP  13           HA       TRP  13  32.055   0.898  -1.041
   87    HB2  TRP  13           HB2      TRP  13  29.762   0.619  -0.176
   88    HB3  TRP  13           HB3      TRP  13  30.205  -0.957   0.521
   89    HD1  TRP  13           HD1      TRP  13  30.871   2.809   1.021
   90    HE1  TRP  13           HE1      TRP  13  31.555   3.154   3.479
   91    HE3  TRP  13           HE3      TRP  13  31.126  -2.074   2.482
   92    HZ2  TRP  13           HZ2      TRP  13  32.124   1.564   5.742
   93    HZ3  TRP  13           HZ3      TRP  13  31.751  -2.584   4.808
   94    HH2  TRP  13           HH2      TRP  13  32.241  -0.801   6.403
   95    H    LEU  14           H        LEU  14  31.963  -2.598  -0.404
   96    HA   LEU  14           HA       LEU  14  34.097  -2.674   1.456
   97    HB2  LEU  14           HB2      LEU  14  32.981  -4.605  -0.453
   98    HB3  LEU  14           HB3      LEU  14  34.214  -5.170   0.698
   99    HG   LEU  14           HG       LEU  14  31.461  -4.090   1.430
  100   HD11  LEU  14          HD11      LEU  14  30.971  -6.393   2.117
  101   HD12  LEU  14          HD12      LEU  14  31.337  -6.289   0.379
  102   HD13  LEU  14          HD13      LEU  14  32.563  -6.907   1.512
  103   HD21  LEU  14          HD21      LEU  14  32.015  -4.817   3.709
  104   HD22  LEU  14          HD22      LEU  14  33.642  -5.290   3.161
  105   HD23  LEU  14          HD23      LEU  14  33.154  -3.578   3.131
  106    H    ALA  15           H        ALA  15  33.943  -3.070  -2.060
  107    HA   ALA  15           HA       ALA  15  36.588  -3.807  -2.550
  108    HB1  ALA  15           HB1      ALA  15  36.196  -3.029  -4.854
  109    HB2  ALA  15           HB2      ALA  15  34.696  -2.241  -4.314
  110    HB3  ALA  15           HB3      ALA  15  34.849  -4.012  -4.232
  111    H    ASP  16           H        ASP  16  35.198  -0.624  -1.985
  112    HA   ASP  16           HA       ASP  16  37.622   0.747  -2.784
  113    HB2  ASP  16           HB2      ASP  16  34.846   1.566  -2.303
  114    HB3  ASP  16           HB3      ASP  16  36.049   2.420  -1.305
  115    H    DAL  17           H        DAL  17  36.930  -1.017  -0.113
  116    HA   DAL  17           HA       DAL  17  38.790   0.548   1.523
  117    HB1  DAL  17           HB1      DAL  17  39.150  -1.539   2.776
  118    HB2  DAL  17           HB2      DAL  17  39.481  -1.728   1.038
  119    HB3  DAL  17           HB3      DAL  17  37.965  -2.355   1.728
  120    H    GLY  18           H        GLY  18  35.537   0.335   1.241
  121    HA2  GLY  18           HA2      GLY  18  33.759   0.806   2.613
  122    HA3  GLY  18           HA3      GLY  18  34.586  -0.180   3.841
  123    H    TRP  19           H        TRP  19  35.327   0.813   5.606
  124    HA   TRP  19           HA       TRP  19  34.840   3.597   5.986
  125    HB2  TRP  19           HB2      TRP  19  36.204   1.507   7.721
  126    HB3  TRP  19           HB3      TRP  19  35.958   3.193   8.236
  127    HD1  TRP  19           HD1      TRP  19  34.385  -0.077   8.479
  128    HE1  TRP  19           HE1      TRP  19  31.919   0.133   9.187
  129    HE3  TRP  19           HE3      TRP  19  33.716   4.921   7.629
  130    HZ2  TRP  19           HZ2      TRP  19  29.952   2.149   9.361
  131    HZ3  TRP  19           HZ3      TRP  19  31.512   5.911   8.091
  132    HH2  TRP  19           HH2      TRP  19  29.669   4.551   8.938
  133    H    ALA  20           H        ALA  20  37.673   1.682   5.196
  134    HA   ALA  20           HA       ALA  20  39.446   3.982   5.511
  135    HB1  ALA  20           HB1      ALA  20  41.254   2.397   4.984
  136    HB2  ALA  20           HB2      ALA  20  40.042   1.122   4.725
  137    HB3  ALA  20           HB3      ALA  20  40.246   1.839   6.341
  138    H    SER  21           H        SER  21  37.494   4.356   3.543
  139    HA   SER  21           HA       SER  21  38.877   3.924   0.996
  140    HB2  SER  21           HB2      SER  21  36.539   3.206   1.093
  141    HB3  SER  21           HB3      SER  21  36.048   4.846   1.573
  142    HG   SER  21           HG       SER  21  36.221   5.483  -0.446
  Start of MODEL   12
    1    H1   ARG   1           H1       ARG   1  32.923   7.774   2.027
    2    H2   ARG   1           H2       ARG   1  32.549   8.656   3.181
    3    H3   ARG   1           H3       ARG   1  32.991   7.245   3.429
    4    HA   ARG   1           HA       ARG   1  30.292   8.075   3.080
    5    HB2  ARG   1           HB2      ARG   1  29.565   6.691   1.220
    6    HB3  ARG   1           HB3      ARG   1  30.768   7.900   0.714
    7    HG2  ARG   1           HG2      ARG   1  32.514   6.055   0.926
    8    HG3  ARG   1           HG3      ARG   1  31.155   4.916   1.085
    9    HD2  ARG   1           HD2      ARG   1  31.553   6.808  -1.259
   10    HD3  ARG   1           HD3      ARG   1  32.054   5.101  -1.247
   11    HE   ARG   1           HE       ARG   1  29.791   4.463  -1.284
   12   HH11  ARG   1          HH11      ARG   1  30.155   7.950  -1.363
   13   HH12  ARG   1          HH12      ARG   1  28.521   8.223  -1.933
   14   HH21  ARG   1          HH21      ARG   1  27.672   4.818  -2.025
   15   HH22  ARG   1          HH22      ARG   1  27.123   6.459  -2.306
   16    HA   PRO   2           HA       PRO   2  30.039   4.509   5.730
   17    HB2  PRO   2           HB2      PRO   2  27.459   4.766   6.526
   18    HB3  PRO   2           HB3      PRO   2  28.685   5.940   7.023
   19    HG2  PRO   2           HG2      PRO   2  26.600   6.163   4.845
   20    HG3  PRO   2           HG3      PRO   2  27.166   7.395   5.981
   21    HD2  PRO   2           HD2      PRO   2  28.049   7.159   3.323
   22    HD3  PRO   2           HD3      PRO   2  28.932   8.018   4.592
   23    HA   PRO   3           HA       PRO   3  28.475   0.954   3.607
   24    HB2  PRO   3           HB2      PRO   3  26.816   0.212   5.981
   25    HB3  PRO   3           HB3      PRO   3  28.098  -0.711   5.184
   26    HG2  PRO   3           HG2      PRO   3  28.422   0.553   7.594
   27    HG3  PRO   3           HG3      PRO   3  29.757   0.225   6.482
   28    HD2  PRO   3           HD2      PRO   3  28.461   2.824   7.141
   29    HD3  PRO   3           HD3      PRO   3  30.060   2.515   6.454
   30    HA   PRO   4           HA       PRO   4  24.430   2.545   2.396
   31    HB2  PRO   4           HB2      PRO   4  24.377   1.515  -0.112
   32    HB3  PRO   4           HB3      PRO   4  25.411   2.892   0.294
   33    HG2  PRO   4           HG2      PRO   4  26.146  -0.036   0.035
   34    HG3  PRO   4           HG3      PRO   4  27.022   1.388  -0.541
   35    HD2  PRO   4           HD2      PRO   4  27.672   0.040   1.802
   36    HD3  PRO   4           HD3      PRO   4  28.051   1.746   1.533
   37    H    SER   5           H        SER   5  22.359   1.710   2.240
   38    HA   SER   5           HA       SER   5  21.845  -0.804   3.385
   39    HB2  SER   5           HB2      SER   5  20.040   1.059   1.823
   40    HB3  SER   5           HB3      SER   5  19.467  -0.388   2.683
   41    HG   SER   5           HG       SER   5  19.288   1.533   3.960
   42    H    ASP   6           H        ASP   6  21.384   0.268   0.008
   43    HA   ASP   6           HA       ASP   6  20.305  -2.002  -1.079
   44    HB2  ASP   6           HB2      ASP   6  22.277  -0.065  -2.424
   45    HB3  ASP   6           HB3      ASP   6  21.391  -1.435  -3.137
   46    H    AIB   7           H        AIB   7  21.118  -3.820  -2.205
   47   HB11  AIB   7          HB11      AIB   7  24.253  -6.092  -0.593
   48   HB12  AIB   7          HB12      AIB   7  24.180  -4.376  -0.130
   49   HB13  AIB   7          HB13      AIB   7  22.835  -5.466   0.279
   50   HB21  AIB   7          HB21      AIB   7  21.631  -6.559  -1.427
   51   HB22  AIB   7          HB22      AIB   7  22.476  -6.682  -2.915
   52   HB23  AIB   7          HB23      AIB   7  21.134  -5.624  -2.776
   53    H    ALA   8           H        ALA   8  22.854  -3.838  -4.146
   54    HA   ALA   8           HA       ALA   8  25.223  -4.848  -5.248
   55    HB1  ALA   8           HB1      ALA   8  24.948  -3.131  -6.990
   56    HB2  ALA   8           HB2      ALA   8  23.702  -2.343  -5.996
   57    HB3  ALA   8           HB3      ALA   8  23.425  -3.981  -6.635
   58    H    ALA   9           H        ALA   9  24.588  -1.609  -3.864
   59    HA   ALA   9           HA       ALA   9  27.200  -0.646  -4.379
   60    HB1  ALA   9           HB1      ALA   9  26.591   1.253  -2.940
   61    HB2  ALA   9           HB2      ALA   9  25.122   0.382  -2.441
   62    HB3  ALA   9           HB3      ALA   9  25.328   0.880  -4.137
   63    H    TYR  10           H        TYR  10  25.805  -2.403  -1.690
   64    HA   TYR  10           HA       TYR  10  27.676  -1.778   0.302
   65    HB2  TYR  10           HB2      TYR  10  25.555  -2.893   0.754
   66    HB3  TYR  10           HB3      TYR  10  26.122  -4.331  -0.130
   67    HD1  TYR  10           HD1      TYR  10  26.861  -2.220   2.863
   68    HD2  TYR  10           HD2      TYR  10  27.310  -6.023   1.013
   69    HE1  TYR  10           HE1      TYR  10  27.828  -3.110   4.941
   70    HE2  TYR  10           HE2      TYR  10  28.281  -6.923   3.084
   71    HH   TYR  10           HH       TYR  10  28.684  -4.880   5.965
   72    H    ALA  11           H        ALA  11  27.818  -4.031  -2.385
   73    HA   ALA  11           HA       ALA  11  30.057  -5.527  -1.471
   74    HB1  ALA  11           HB1      ALA  11  30.175  -6.377  -3.779
   75    HB2  ALA  11           HB2      ALA  11  28.968  -5.168  -4.272
   76    HB3  ALA  11           HB3      ALA  11  28.523  -6.451  -3.123
   77    H    GLN  12           H        GLN  12  29.731  -2.927  -3.911
   78    HA   GLN  12           HA       GLN  12  32.475  -2.673  -4.470
   79    HB2  GLN  12           HB2      GLN  12  30.324  -1.659  -5.597
   80    HB3  GLN  12           HB3      GLN  12  30.689  -0.286  -4.525
   81    HG2  GLN  12           HG2      GLN  12  32.703  -1.291  -6.731
   82    HG3  GLN  12           HG3      GLN  12  31.444  -0.037  -6.644
   83   HE21  GLN  12          HE22      GLN  12  34.674  -0.982  -5.765
   84   HE22  GLN  12          HE21      GLN  12  35.130   0.499  -4.991
   85    H    TRP  13           H        TRP  13  30.427  -1.251  -1.982
   86    HA   TRP  13           HA       TRP  13  32.114   0.715  -0.973
   87    HB2  TRP  13           HB2      TRP  13  29.767   0.448  -0.230
   88    HB3  TRP  13           HB3      TRP  13  30.191  -1.089   0.561
   89    HD1  TRP  13           HD1      TRP  13  30.774   2.702   0.924
   90    HE1  TRP  13           HE1      TRP  13  31.331   3.168   3.396
   91    HE3  TRP  13           HE3      TRP  13  31.044  -2.102   2.606
   92    HZ2  TRP  13           HZ2      TRP  13  31.817   1.689   5.751
   93    HZ3  TRP  13           HZ3      TRP  13  31.566  -2.503   4.978
   94    HH2  TRP  13           HH2      TRP  13  31.946  -0.643   6.518
   95    H    LEU  14           H        LEU  14  31.946  -2.753  -0.194
   96    HA   LEU  14           HA       LEU  14  33.986  -2.781   1.761
   97    HB2  LEU  14           HB2      LEU  14  32.948  -4.768  -0.133
   98    HB3  LEU  14           HB3      LEU  14  34.124  -5.304   1.090
   99    HG   LEU  14           HG       LEU  14  31.350  -4.176   1.662
  100   HD11  LEU  14          HD11      LEU  14  30.806  -6.445   2.412
  101   HD12  LEU  14          HD12      LEU  14  31.249  -6.410   0.689
  102   HD13  LEU  14          HD13      LEU  14  32.417  -6.996   1.897
  103   HD21  LEU  14          HD21      LEU  14  31.795  -4.824   3.988
  104   HD22  LEU  14          HD22      LEU  14  33.441  -5.328   3.531
  105   HD23  LEU  14          HD23      LEU  14  32.970  -3.616   3.417
  106    H    ALA  15           H        ALA  15  34.017  -3.335  -1.739
  107    HA   ALA  15           HA       ALA  15  36.702  -4.061  -2.035
  108    HB1  ALA  15           HB1      ALA  15  36.425  -3.445  -4.403
  109    HB2  ALA  15           HB2      ALA  15  34.882  -2.659  -4.001
  110    HB3  ALA  15           HB3      ALA  15  35.064  -4.416  -3.793
  111    H    ASP  16           H        ASP  16  35.222  -0.895  -1.707
  112    HA   ASP  16           HA       ASP  16  37.653   0.490  -2.473
  113    HB2  ASP  16           HB2      ASP  16  34.868   1.232  -2.378
  114    HB3  ASP  16           HB3      ASP  16  35.802   2.097  -1.132
  115    H    DAL  17           H        DAL  17  37.084  -1.209   0.177
  116    HA   DAL  17           HA       DAL  17  38.716   0.541   1.842
  117    HB1  DAL  17           HB1      DAL  17  39.073  -1.456   3.233
  118    HB2  DAL  17           HB2      DAL  17  39.498  -1.735   1.529
  119    HB3  DAL  17           HB3      DAL  17  37.967  -2.369   2.179
  120    H    GLY  18           H        GLY  18  35.474   0.140   1.430
  121    HA2  GLY  18           HA2      GLY  18  33.611   0.567   2.704
  122    HA3  GLY  18           HA3      GLY  18  34.480  -0.188   4.060
  123    H    TRP  19           H        TRP  19  35.210   1.068   5.670
  124    HA   TRP  19           HA       TRP  19  34.400   3.797   5.771
  125    HB2  TRP  19           HB2      TRP  19  35.953   1.998   7.643
  126    HB3  TRP  19           HB3      TRP  19  35.763   3.734   7.985
  127    HD1  TRP  19           HD1      TRP  19  34.159   0.537   8.679
  128    HE1  TRP  19           HE1      TRP  19  31.748   0.876   9.516
  129    HE3  TRP  19           HE3      TRP  19  33.522   5.432   7.354
  130    HZ2  TRP  19           HZ2      TRP  19  29.830   2.948   9.603
  131    HZ3  TRP  19           HZ3      TRP  19  31.371   6.518   7.848
  132    HH2  TRP  19           HH2      TRP  19  29.564   5.300   8.949
  133    H    ALA  20           H        ALA  20  37.392   2.169   4.985
  134    HA   ALA  20           HA       ALA  20  38.895   4.674   5.011
  135    HB1  ALA  20           HB1      ALA  20  40.850   3.264   4.514
  136    HB2  ALA  20           HB2      ALA  20  39.786   1.841   4.435
  137    HB3  ALA  20           HB3      ALA  20  39.984   2.719   5.970
  138    H    SER  21           H        SER  21  36.818   4.650   3.147
  139    HA   SER  21           HA       SER  21  38.067   4.100   0.559
  140    HB2  SER  21           HB2      SER  21  35.829   3.239   0.774
  141    HB3  SER  21           HB3      SER  21  35.226   4.818   1.326
  142    HG   SER  21           HG       SER  21  36.390   4.363  -1.236
  Start of MODEL   13
    1    H1   ARG   1           H1       ARG   1  32.470   7.750   1.121
    2    H2   ARG   1           H2       ARG   1  32.223   8.703   2.252
    3    H3   ARG   1           H3       ARG   1  32.715   7.315   2.535
    4    HA   ARG   1           HA       ARG   1  29.980   8.096   2.462
    5    HB2  ARG   1           HB2      ARG   1  29.068   6.550   0.808
    6    HB3  ARG   1           HB3      ARG   1  30.140   7.769   0.079
    7    HG2  ARG   1           HG2      ARG   1  31.967   6.088   0.022
    8    HG3  ARG   1           HG3      ARG   1  30.842   4.873   0.677
    9    HD2  ARG   1           HD2      ARG   1  30.236   6.382  -1.872
   10    HD3  ARG   1           HD3      ARG   1  31.235   4.909  -1.877
   11    HE   ARG   1           HE       ARG   1  29.352   3.656  -1.333
   12   HH11  ARG   1          HH11      ARG   1  28.557   7.067  -1.442
   13   HH12  ARG   1          HH12      ARG   1  26.828   6.779  -1.470
   14   HH21  ARG   1          HH21      ARG   1  27.117   3.283  -1.374
   15   HH22  ARG   1          HH22      ARG   1  26.017   4.647  -1.432
   16    HA   PRO   2           HA       PRO   2  30.082   4.713   5.350
   17    HB2  PRO   2           HB2      PRO   2  27.562   4.923   6.340
   18    HB3  PRO   2           HB3      PRO   2  28.777   6.167   6.668
   19    HG2  PRO   2           HG2      PRO   2  26.518   6.186   4.660
   20    HG3  PRO   2           HG3      PRO   2  27.124   7.503   5.674
   21    HD2  PRO   2           HD2      PRO   2  27.798   7.149   2.971
   22    HD3  PRO   2           HD3      PRO   2  28.755   8.099   4.115
   23    HA   PRO   3           HA       PRO   3  28.455   0.959   3.692
   24    HB2  PRO   3           HB2      PRO   3  26.825   0.423   6.130
   25    HB3  PRO   3           HB3      PRO   3  28.139  -0.536   5.433
   26    HG2  PRO   3           HG2      PRO   3  28.385   1.002   7.709
   27    HG3  PRO   3           HG3      PRO   3  29.745   0.534   6.680
   28    HD2  PRO   3           HD2      PRO   3  28.487   3.201   7.010
   29    HD3  PRO   3           HD3      PRO   3  30.071   2.790   6.340
   30    HA   PRO   4           HA       PRO   4  24.392   2.491   2.407
   31    HB2  PRO   4           HB2      PRO   4  24.372   1.370  -0.069
   32    HB3  PRO   4           HB3      PRO   4  25.342   2.805   0.289
   33    HG2  PRO   4           HG2      PRO   4  26.207  -0.095   0.134
   34    HG3  PRO   4           HG3      PRO   4  27.019   1.345  -0.493
   35    HD2  PRO   4           HD2      PRO   4  27.738   0.124   1.890
   36    HD3  PRO   4           HD3      PRO   4  28.008   1.843   1.576
   37    H    SER   5           H        SER   5  22.349   1.592   2.269
   38    HA   SER   5           HA       SER   5  21.939  -0.968   3.393
   39    HB2  SER   5           HB2      SER   5  20.041   0.910   1.966
   40    HB3  SER   5           HB3      SER   5  19.528  -0.586   2.780
   41    HG   SER   5           HG       SER   5  19.346   1.275   4.142
   42    H    ASP   6           H        ASP   6  21.789   0.206   0.043
   43    HA   ASP   6           HA       ASP   6  20.510  -2.018  -1.076
   44    HB2  ASP   6           HB2      ASP   6  20.999   0.320  -2.201
   45    HB3  ASP   6           HB3      ASP   6  22.595  -0.443  -2.410
   46    H    AIB   7           H        AIB   7  21.213  -3.897  -2.019
   47   HB11  AIB   7          HB11      AIB   7  24.435  -6.135  -0.648
   48   HB12  AIB   7          HB12      AIB   7  24.350  -4.428  -0.150
   49   HB13  AIB   7          HB13      AIB   7  23.022  -5.541   0.255
   50   HB21  AIB   7          HB21      AIB   7  21.801  -6.620  -1.517
   51   HB22  AIB   7          HB22      AIB   7  22.648  -6.671  -3.008
   52   HB23  AIB   7          HB23      AIB   7  21.295  -5.634  -2.825
   53    H    ALA   8           H        ALA   8  23.005  -3.724  -4.099
   54    HA   ALA   8           HA       ALA   8  25.377  -4.657  -5.263
   55    HB1  ALA   8           HB1      ALA   8  25.116  -2.818  -6.879
   56    HB2  ALA   8           HB2      ALA   8  23.868  -2.100  -5.835
   57    HB3  ALA   8           HB3      ALA   8  23.588  -3.685  -6.594
   58    H    ALA   9           H        ALA   9  24.737  -1.518  -3.673
   59    HA   ALA   9           HA       ALA   9  27.352  -0.534  -4.163
   60    HB1  ALA   9           HB1      ALA   9  26.730   1.328  -2.684
   61    HB2  ALA   9           HB2      ALA   9  25.258   0.445  -2.218
   62    HB3  ALA   9           HB3      ALA   9  25.476   0.985  -3.899
   63    H    TYR  10           H        TYR  10  25.908  -2.319  -1.510
   64    HA   TYR  10           HA       TYR  10  27.794  -1.778   0.490
   65    HB2  TYR  10           HB2      TYR  10  25.541  -2.965   0.663
   66    HB3  TYR  10           HB3      TYR  10  26.415  -4.427   0.145
   67    HD1  TYR  10           HD2      TYR  10  26.552  -1.735   2.758
   68    HD2  TYR  10           HD1      TYR  10  27.394  -5.786   1.779
   69    HE1  TYR  10           HE2      TYR  10  27.224  -2.152   5.084
   70    HE2  TYR  10           HE1      TYR  10  28.079  -6.211   4.102
   71    HH   TYR  10           HH       TYR  10  28.982  -4.150   6.161
   72    H    ALA  11           H        ALA  11  27.877  -4.022  -2.218
   73    HA   ALA  11           HA       ALA  11  30.102  -5.550  -1.306
   74    HB1  ALA  11           HB1      ALA  11  30.184  -6.425  -3.605
   75    HB2  ALA  11           HB2      ALA  11  28.990  -5.203  -4.099
   76    HB3  ALA  11           HB3      ALA  11  28.537  -6.467  -2.932
   77    H    GLN  12           H        GLN  12  29.796  -3.015  -3.814
   78    HA   GLN  12           HA       GLN  12  32.533  -2.790  -4.390
   79    HB2  GLN  12           HB2      GLN  12  30.387  -1.791  -5.528
   80    HB3  GLN  12           HB3      GLN  12  30.750  -0.399  -4.481
   81    HG2  GLN  12           HG2      GLN  12  32.087   0.144  -6.605
   82    HG3  GLN  12           HG3      GLN  12  32.991  -0.600  -5.265
   83   HE21  GLN  12          HE22      GLN  12  34.617  -1.531  -6.453
   84   HE22  GLN  12          HE21      GLN  12  34.358  -2.790  -7.615
   85    H    TRP  13           H        TRP  13  30.535  -1.349  -1.890
   86    HA   TRP  13           HA       TRP  13  32.246   0.649  -0.949
   87    HB2  TRP  13           HB2      TRP  13  29.893   0.427  -0.208
   88    HB3  TRP  13           HB3      TRP  13  30.296  -1.094   0.622
   89    HD1  TRP  13           HD1      TRP  13  31.056   2.687   0.864
   90    HE1  TRP  13           HE1      TRP  13  31.523   3.217   3.340
   91    HE3  TRP  13           HE3      TRP  13  30.926  -2.059   2.735
   92    HZ2  TRP  13           HZ2      TRP  13  31.798   1.801   5.771
   93    HZ3  TRP  13           HZ3      TRP  13  31.307  -2.392   5.146
   94    HH2  TRP  13           HH2      TRP  13  31.736  -0.501   6.629
   95    H    LEU  14           H        LEU  14  31.978  -2.777   0.001
   96    HA   LEU  14           HA       LEU  14  34.020  -2.787   1.940
   97    HB2  LEU  14           HB2      LEU  14  32.961  -4.818   0.106
   98    HB3  LEU  14           HB3      LEU  14  34.104  -5.332   1.368
   99    HG   LEU  14           HG       LEU  14  31.344  -4.139   1.849
  100   HD11  LEU  14          HD11      LEU  14  30.755  -6.373   2.669
  101   HD12  LEU  14          HD12      LEU  14  31.230  -6.407   0.955
  102   HD13  LEU  14          HD13      LEU  14  32.369  -6.962   2.205
  103   HD21  LEU  14          HD21      LEU  14  31.732  -4.706   4.204
  104   HD22  LEU  14          HD22      LEU  14  33.378  -5.250   3.800
  105   HD23  LEU  14          HD23      LEU  14  32.936  -3.536   3.613
  106    H    ALA  15           H        ALA  15  34.064  -3.457  -1.539
  107    HA   ALA  15           HA       ALA  15  36.702  -4.298  -1.815
  108    HB1  ALA  15           HB1      ALA  15  36.482  -3.665  -4.185
  109    HB2  ALA  15           HB2      ALA  15  34.984  -2.789  -3.794
  110    HB3  ALA  15           HB3      ALA  15  35.061  -4.555  -3.586
  111    H    ASP  16           H        ASP  16  35.390  -1.015  -1.704
  112    HA   ASP  16           HA       ASP  16  37.932   0.187  -2.367
  113    HB2  ASP  16           HB2      ASP  16  35.280   1.081  -2.595
  114    HB3  ASP  16           HB3      ASP  16  35.950   1.812  -1.116
  115    H    DAL  17           H        DAL  17  36.854  -1.222   0.430
  116    HA   DAL  17           HA       DAL  17  38.664   0.430   2.046
  117    HB1  DAL  17           HB1      DAL  17  38.801  -1.512   3.553
  118    HB2  DAL  17           HB2      DAL  17  39.275  -1.915   1.887
  119    HB3  DAL  17           HB3      DAL  17  37.672  -2.392   2.495
  120    H    GLY  18           H        GLY  18  35.414   0.206   1.516
  121    HA2  GLY  18           HA2      GLY  18  33.536   0.853   2.660
  122    HA3  GLY  18           HA3      GLY  18  34.278   0.109   4.095
  123    H    TRP  19           H        TRP  19  35.114   1.390   5.659
  124    HA   TRP  19           HA       TRP  19  34.366   4.111   5.705
  125    HB2  TRP  19           HB2      TRP  19  36.080   2.404   7.522
  126    HB3  TRP  19           HB3      TRP  19  35.889   4.150   7.809
  127    HD1  TRP  19           HD1      TRP  19  34.420   0.992   8.817
  128    HE1  TRP  19           HE1      TRP  19  32.050   1.316   9.770
  129    HE3  TRP  19           HE3      TRP  19  33.524   5.755   7.180
  130    HZ2  TRP  19           HZ2      TRP  19  30.066   3.323   9.821
  131    HZ3  TRP  19           HZ3      TRP  19  31.368   6.801   7.720
  132    HH2  TRP  19           HH2      TRP  19  29.673   5.611   9.014
  133    H    ALA  20           H        ALA  20  37.312   2.477   4.774
  134    HA   ALA  20           HA       ALA  20  38.715   5.032   4.471
  135    HB1  ALA  20           HB1      ALA  20  40.711   3.657   4.032
  136    HB2  ALA  20           HB2      ALA  20  39.718   2.189   4.185
  137    HB3  ALA  20           HB3      ALA  20  39.954   3.255   5.591
  138    H    SER  21           H        SER  21  36.472   4.431   2.770
  139    HA   SER  21           HA       SER  21  37.614   3.729   0.185
  140    HB2  SER  21           HB2      SER  21  34.778   4.338   1.049
  141    HB3  SER  21           HB3      SER  21  35.251   3.933  -0.617
  142    HG   SER  21           HG       SER  21  34.527   2.093   0.597
  Start of MODEL   14
    1    H1   ARG   1           H1       ARG   1  32.437   7.627   0.426
    2    H2   ARG   1           H2       ARG   1  32.276   8.692   1.470
    3    H3   ARG   1           H3       ARG   1  32.719   7.315   1.866
    4    HA   ARG   1           HA       ARG   1  30.018   8.213   1.812
    5    HB2  ARG   1           HB2      ARG   1  28.951   6.698   0.300
    6    HB3  ARG   1           HB3      ARG   1  30.211   7.605  -0.569
    7    HG2  ARG   1           HG2      ARG   1  31.351   5.178   0.465
    8    HG3  ARG   1           HG3      ARG   1  29.853   4.779  -0.411
    9    HD2  ARG   1           HD2      ARG   1  31.606   6.730  -1.775
   10    HD3  ARG   1           HD3      ARG   1  32.308   5.107  -1.580
   11    HE   ARG   1           HE       ARG   1  30.617   4.237  -2.945
   12   HH11  ARG   1          HH11      ARG   1  30.240   7.695  -2.519
   13   HH12  ARG   1          HH12      ARG   1  29.153   7.862  -3.883
   14   HH21  ARG   1          HH21      ARG   1  29.208   4.451  -4.711
   15   HH22  ARG   1          HH22      ARG   1  28.571   6.032  -5.119
   16    HA   PRO   2           HA       PRO   2  30.000   5.091   4.973
   17    HB2  PRO   2           HB2      PRO   2  27.436   5.351   5.850
   18    HB3  PRO   2           HB3      PRO   2  28.635   6.624   6.120
   19    HG2  PRO   2           HG2      PRO   2  26.426   6.486   4.075
   20    HG3  PRO   2           HG3      PRO   2  27.055   7.886   4.953
   21    HD2  PRO   2           HD2      PRO   2  27.735   7.201   2.301
   22    HD3  PRO   2           HD3      PRO   2  28.656   8.310   3.324
   23    HA   PRO   3           HA       PRO   3  28.393   1.196   3.649
   24    HB2  PRO   3           HB2      PRO   3  26.841   0.365   5.848
   25    HB3  PRO   3           HB3      PRO   3  28.587   0.130   5.691
   26    HG2  PRO   3           HG2      PRO   3  27.075   2.250   7.198
   27    HG3  PRO   3           HG3      PRO   3  28.590   1.439   7.615
   28    HD2  PRO   3           HD2      PRO   3  28.571   3.983   6.640
   29    HD3  PRO   3           HD3      PRO   3  29.887   2.869   6.250
   30    HA   PRO   4           HA       PRO   4  24.275   2.518   2.298
   31    HB2  PRO   4           HB2      PRO   4  24.354   1.445  -0.184
   32    HB3  PRO   4           HB3      PRO   4  25.275   2.904   0.207
   33    HG2  PRO   4           HG2      PRO   4  26.231   0.032   0.036
   34    HG3  PRO   4           HG3      PRO   4  27.003   1.502  -0.575
   35    HD2  PRO   4           HD2      PRO   4  27.728   0.287   1.817
   36    HD3  PRO   4           HD3      PRO   4  27.964   2.011   1.504
   37    H    SER   5           H        SER   5  22.379   1.516   2.596
   38    HA   SER   5           HA       SER   5  22.107  -1.084   3.522
   39    HB2  SER   5           HB2      SER   5  20.068   0.714   2.189
   40    HB3  SER   5           HB3      SER   5  19.661  -0.819   2.994
   41    HG   SER   5           HG       SER   5  19.429   1.009   4.395
   42    H    ASP   6           H        ASP   6  21.223   0.103   0.263
   43    HA   ASP   6           HA       ASP   6  20.428  -2.124  -1.016
   44    HB2  ASP   6           HB2      ASP   6  20.800   0.177  -2.124
   45    HB3  ASP   6           HB3      ASP   6  22.512  -0.306  -2.036
   46    H    AIB   7           H        AIB   7  21.201  -4.058  -1.635
   47   HB11  AIB   7          HB11      AIB   7  24.526  -6.060  -0.176
   48   HB12  AIB   7          HB12      AIB   7  24.369  -4.333   0.222
   49   HB13  AIB   7          HB13      AIB   7  23.090  -5.476   0.696
   50   HB21  AIB   7          HB21      AIB   7  21.884  -6.681  -0.983
   51   HB22  AIB   7          HB22      AIB   7  22.760  -6.832  -2.450
   52   HB23  AIB   7          HB23      AIB   7  21.375  -5.824  -2.378
   53    H    ALA   8           H        ALA   8  22.961  -4.072  -3.812
   54    HA   ALA   8           HA       ALA   8  25.334  -5.014  -4.920
   55    HB1  ALA   8           HB1      ALA   8  25.006  -3.329  -6.688
   56    HB2  ALA   8           HB2      ALA   8  23.766  -2.542  -5.685
   57    HB3  ALA   8           HB3      ALA   8  23.501  -4.194  -6.292
   58    H    ALA   9           H        ALA   9  24.680  -1.781  -3.542
   59    HA   ALA   9           HA       ALA   9  27.281  -0.800  -4.148
   60    HB1  ALA   9           HB1      ALA   9  26.648   1.161  -2.806
   61    HB2  ALA   9           HB2      ALA   9  25.189   0.299  -2.264
   62    HB3  ALA   9           HB3      ALA   9  25.388   0.716  -3.982
   63    H    TYR  10           H        TYR  10  25.876  -2.402  -1.363
   64    HA   TYR  10           HA       TYR  10  27.762  -1.662   0.576
   65    HB2  TYR  10           HB2      TYR  10  25.638  -2.717   1.124
   66    HB3  TYR  10           HB3      TYR  10  26.182  -4.219   0.340
   67    HD1  TYR  10           HD1      TYR  10  26.984  -1.899   3.164
   68    HD2  TYR  10           HD2      TYR  10  27.385  -5.828   1.586
   69    HE1  TYR  10           HE1      TYR  10  27.988  -2.642   5.280
   70    HE2  TYR  10           HE2      TYR  10  28.395  -6.579   3.699
   71    HH   TYR  10           HH       TYR  10  29.037  -6.005   5.741
   72    H    ALA  11           H        ALA  11  27.852  -4.103  -1.944
   73    HA   ALA  11           HA       ALA  11  30.076  -5.564  -0.937
   74    HB1  ALA  11           HB1      ALA  11  30.173  -6.572  -3.181
   75    HB2  ALA  11           HB2      ALA  11  28.986  -5.378  -3.754
   76    HB3  ALA  11           HB3      ALA  11  28.521  -6.573  -2.520
   77    H    GLN  12           H        GLN  12  29.786  -3.149  -3.567
   78    HA   GLN  12           HA       GLN  12  32.529  -2.973  -4.148
   79    HB2  GLN  12           HB2      GLN  12  30.405  -2.013  -5.347
   80    HB3  GLN  12           HB3      GLN  12  30.756  -0.579  -4.353
   81    HG2  GLN  12           HG2      GLN  12  32.839  -1.708  -6.431
   82    HG3  GLN  12           HG3      GLN  12  31.520  -0.517  -6.515
   83   HE21  GLN  12          HE22      GLN  12  34.771  -1.169  -5.528
   84   HE22  GLN  12          HE21      GLN  12  35.125   0.395  -4.873
   85    H    TRP  13           H        TRP  13  30.515  -1.326  -1.776
   86    HA   TRP  13           HA       TRP  13  32.252   0.666  -0.903
   87    HB2  TRP  13           HB2      TRP  13  29.883   0.518  -0.193
   88    HB3  TRP  13           HB3      TRP  13  30.255  -0.955   0.735
   89    HD1  TRP  13           HD1      TRP  13  31.033   2.829   0.760
   90    HE1  TRP  13           HE1      TRP  13  31.497   3.500   3.203
   91    HE3  TRP  13           HE3      TRP  13  30.884  -1.797   2.910
   92    HZ2  TRP  13           HZ2      TRP  13  31.760   2.234   5.713
   93    HZ3  TRP  13           HZ3      TRP  13  31.256  -1.990   5.336
   94    HH2  TRP  13           HH2      TRP  13  31.685  -0.012   6.708
   95    H    LEU  14           H        LEU  14  31.920  -2.704   0.212
   96    HA   LEU  14           HA       LEU  14  33.932  -2.632   2.188
   97    HB2  LEU  14           HB2      LEU  14  32.854  -4.750   0.464
   98    HB3  LEU  14           HB3      LEU  14  33.982  -5.211   1.760
   99    HG   LEU  14           HG       LEU  14  31.246  -3.935   2.162
  100   HD11  LEU  14          HD11      LEU  14  30.597  -6.108   3.090
  101   HD12  LEU  14          HD12      LEU  14  31.077  -6.239   1.382
  102   HD13  LEU  14          HD13      LEU  14  32.196  -6.761   2.664
  103   HD21  LEU  14          HD21      LEU  14  31.608  -4.392   4.544
  104   HD22  LEU  14          HD22      LEU  14  33.242  -4.998   4.178
  105   HD23  LEU  14          HD23      LEU  14  32.845  -3.285   3.904
  106    H    ALA  15           H        ALA  15  34.005  -3.535  -1.241
  107    HA   ALA  15           HA       ALA  15  36.662  -4.383  -1.414
  108    HB1  ALA  15           HB1      ALA  15  36.454  -3.970  -3.833
  109    HB2  ALA  15           HB2      ALA  15  34.940  -3.086  -3.535
  110    HB3  ALA  15           HB3      ALA  15  35.041  -4.824  -3.169
  111    H    ASP  16           H        ASP  16  35.312  -1.141  -1.408
  112    HA   ASP  16           HA       ASP  16  37.827   0.064  -2.219
  113    HB2  ASP  16           HB2      ASP  16  35.121   0.894  -2.437
  114    HB3  ASP  16           HB3      ASP  16  35.875   1.781  -1.089
  115    H    DAL  17           H        DAL  17  37.318  -1.412   0.482
  116    HA   DAL  17           HA       DAL  17  38.887   0.435   2.059
  117    HB1  DAL  17           HB1      DAL  17  39.070  -1.425   3.661
  118    HB2  DAL  17           HB2      DAL  17  39.529  -1.906   2.012
  119    HB3  DAL  17           HB3      DAL  17  37.941  -2.374   2.665
  120    H    GLY  18           H        GLY  18  35.566  -0.270   1.724
  121    HA2  GLY  18           HA2      GLY  18  33.695   0.400   2.879
  122    HA3  GLY  18           HA3      GLY  18  34.607  -0.008   4.351
  123    H    TRP  19           H        TRP  19  35.354   1.592   5.622
  124    HA   TRP  19           HA       TRP  19  34.344   4.218   5.244
  125    HB2  TRP  19           HB2      TRP  19  36.156   2.943   7.299
  126    HB3  TRP  19           HB3      TRP  19  35.866   4.699   7.304
  127    HD1  TRP  19           HD1      TRP  19  34.540   1.622   8.744
  128    HE1  TRP  19           HE1      TRP  19  32.172   1.993   9.684
  129    HE3  TRP  19           HE3      TRP  19  33.485   6.107   6.530
  130    HZ2  TRP  19           HZ2      TRP  19  30.127   3.932   9.506
  131    HZ3  TRP  19           HZ3      TRP  19  31.303   7.153   6.966
  132    HH2  TRP  19           HH2      TRP  19  29.658   6.087   8.423
  133    H    ALA  20           H        ALA  20  37.404   2.696   4.519
  134    HA   ALA  20           HA       ALA  20  38.696   5.256   3.978
  135    HB1  ALA  20           HB1      ALA  20  40.702   3.907   3.511
  136    HB2  ALA  20           HB2      ALA  20  39.747   2.427   3.763
  137    HB3  ALA  20           HB3      ALA  20  40.013   3.554   5.114
  138    H    SER  21           H        SER  21  36.461   4.778   2.360
  139    HA   SER  21           HA       SER  21  37.513   3.902  -0.224
  140    HB2  SER  21           HB2      SER  21  35.385   2.938   0.340
  141    HB3  SER  21           HB3      SER  21  34.707   4.537   0.724
  142    HG   SER  21           HG       SER  21  34.060   3.887  -1.358
  Start of MODEL   15
    1    H1   ARG   1           H1       ARG   1  32.867   7.496   0.929
    2    H2   ARG   1           H2       ARG   1  32.732   8.478   2.054
    3    H3   ARG   1           H3       ARG   1  32.996   7.032   2.350
    4    HA   ARG   1           HA       ARG   1  30.415   8.222   2.179
    5    HB2  ARG   1           HB2      ARG   1  29.369   6.688   0.519
    6    HB3  ARG   1           HB3      ARG   1  30.482   7.899  -0.160
    7    HG2  ARG   1           HG2      ARG   1  32.186   6.263  -0.522
    8    HG3  ARG   1           HG3      ARG   1  31.312   5.046   0.441
    9    HD2  ARG   1           HD2      ARG   1  29.502   5.028  -1.246
   10    HD3  ARG   1           HD3      ARG   1  30.401   6.222  -2.212
   11    HE   ARG   1           HE       ARG   1  32.046   4.542  -2.654
   12   HH11  ARG   1          HH11      ARG   1  29.171   3.321  -1.054
   13   HH12  ARG   1          HH12      ARG   1  29.444   1.671  -1.578
   14   HH21  ARG   1          HH21      ARG   1  32.391   2.406  -3.331
   15   HH22  ARG   1          HH22      ARG   1  31.256   1.157  -2.859
   16    HA   PRO   2           HA       PRO   2  30.049   5.060   5.327
   17    HB2  PRO   2           HB2      PRO   2  27.138   5.707   5.304
   18    HB3  PRO   2           HB3      PRO   2  28.295   5.826   6.637
   19    HG2  PRO   2           HG2      PRO   2  27.334   8.026   5.385
   20    HG3  PRO   2           HG3      PRO   2  28.976   7.974   6.040
   21    HD2  PRO   2           HD2      PRO   2  28.068   7.738   3.161
   22    HD3  PRO   2           HD3      PRO   2  29.513   8.518   3.816
   23    HA   PRO   3           HA       PRO   3  28.590   1.343   3.443
   24    HB2  PRO   3           HB2      PRO   3  27.082   0.200   5.517
   25    HB3  PRO   3           HB3      PRO   3  28.838   0.058   5.352
   26    HG2  PRO   3           HG2      PRO   3  27.227   1.941   7.067
   27    HG3  PRO   3           HG3      PRO   3  28.753   1.122   7.426
   28    HD2  PRO   3           HD2      PRO   3  28.704   3.755   6.751
   29    HD3  PRO   3           HD3      PRO   3  30.043   2.717   6.243
   30    HA   PRO   4           HA       PRO   4  24.460   2.625   2.182
   31    HB2  PRO   4           HB2      PRO   4  24.459   1.452  -0.260
   32    HB3  PRO   4           HB3      PRO   4  25.426   2.899   0.056
   33    HG2  PRO   4           HG2      PRO   4  26.302  -0.007   0.005
   34    HG3  PRO   4           HG3      PRO   4  27.089   1.405  -0.714
   35    HD2  PRO   4           HD2      PRO   4  27.883   0.320   1.703
   36    HD3  PRO   4           HD3      PRO   4  28.105   2.029   1.311
   37    H    SER   5           H        SER   5  22.539   1.701   2.549
   38    HA   SER   5           HA       SER   5  22.189  -0.791   3.679
   39    HB2  SER   5           HB2      SER   5  20.201   0.921   2.172
   40    HB3  SER   5           HB3      SER   5  19.755  -0.509   3.131
   41    HG   SER   5           HG       SER   5  19.578   1.458   4.335
   42    H    ASP   6           H        ASP   6  21.607   0.105   0.273
   43    HA   ASP   6           HA       ASP   6  20.452  -2.224  -0.633
   44    HB2  ASP   6           HB2      ASP   6  22.335  -0.347  -2.176
   45    HB3  ASP   6           HB3      ASP   6  21.433  -1.763  -2.772
   46    H    AIB   7           H        AIB   7  21.253  -4.072  -1.778
   47   HB11  AIB   7          HB11      AIB   7  24.474  -6.258  -0.155
   48   HB12  AIB   7          HB12      AIB   7  24.398  -4.525   0.240
   49   HB13  AIB   7          HB13      AIB   7  23.081  -5.611   0.742
   50   HB21  AIB   7          HB21      AIB   7  21.775  -6.752  -0.911
   51   HB22  AIB   7          HB22      AIB   7  22.624  -6.971  -2.385
   52   HB23  AIB   7          HB23      AIB   7  21.287  -5.900  -2.316
   53    H    ALA   8           H        ALA   8  22.931  -4.163  -3.765
   54    HA   ALA   8           HA       ALA   8  25.302  -5.181  -4.870
   55    HB1  ALA   8           HB1      ALA   8  24.934  -3.581  -6.704
   56    HB2  ALA   8           HB2      ALA   8  23.683  -2.777  -5.730
   57    HB3  ALA   8           HB3      ALA   8  23.450  -4.458  -6.264
   58    H    ALA   9           H        ALA   9  24.615  -1.840  -3.765
   59    HA   ALA   9           HA       ALA   9  27.215  -0.900  -4.338
   60    HB1  ALA   9           HB1      ALA   9  26.597   1.097  -3.043
   61    HB2  ALA   9           HB2      ALA   9  25.137   0.256  -2.475
   62    HB3  ALA   9           HB3      ALA   9  25.333   0.626  -4.204
   63    H    TYR  10           H        TYR  10  25.851  -2.454  -1.498
   64    HA   TYR  10           HA       TYR  10  27.762  -1.663   0.395
   65    HB2  TYR  10           HB2      TYR  10  25.583  -2.850   0.823
   66    HB3  TYR  10           HB3      TYR  10  26.407  -4.348   0.325
   67    HD1  TYR  10           HD1      TYR  10  26.666  -1.533   2.781
   68    HD2  TYR  10           HD2      TYR  10  27.612  -5.592   1.928
   69    HE1  TYR  10           HE1      TYR  10  27.542  -1.804   5.062
   70    HE2  TYR  10           HE2      TYR  10  28.490  -5.870   4.208
   71    HH   TYR  10           HH       TYR  10  29.466  -3.683   6.084
   72    H    ALA  11           H        ALA  11  27.837  -4.147  -2.088
   73    HA   ALA  11           HA       ALA  11  30.086  -5.577  -1.130
   74    HB1  ALA  11           HB1      ALA  11  30.204  -6.533  -3.395
   75    HB2  ALA  11           HB2      ALA  11  29.006  -5.340  -3.947
   76    HB3  ALA  11           HB3      ALA  11  28.549  -6.566  -2.741
   77    H    GLN  12           H        GLN  12  29.772  -3.083  -3.678
   78    HA   GLN  12           HA       GLN  12  32.513  -2.866  -4.260
   79    HB2  GLN  12           HB2      GLN  12  30.401  -1.892  -5.442
   80    HB3  GLN  12           HB3      GLN  12  30.694  -0.496  -4.378
   81    HG2  GLN  12           HG2      GLN  12  33.072  -1.395  -6.185
   82    HG3  GLN  12           HG3      GLN  12  31.515  -0.713  -6.709
   83   HE21  GLN  12          HE22      GLN  12  34.361  -0.189  -4.631
   84   HE22  GLN  12          HE21      GLN  12  34.240   1.539  -4.594
   85    H    TRP  13           H        TRP  13  30.493  -1.331  -1.823
   86    HA   TRP  13           HA       TRP  13  32.209   0.646  -0.882
   87    HB2  TRP  13           HB2      TRP  13  29.851   0.439  -0.149
   88    HB3  TRP  13           HB3      TRP  13  30.252  -1.068   0.709
   89    HD1  TRP  13           HD1      TRP  13  30.984   2.725   0.894
   90    HE1  TRP  13           HE1      TRP  13  31.486   3.285   3.357
   91    HE3  TRP  13           HE3      TRP  13  30.921  -1.996   2.834
   92    HZ2  TRP  13           HZ2      TRP  13  31.813   1.909   5.803
   93    HZ3  TRP  13           HZ3      TRP  13  31.338  -2.296   5.241
   94    HH2  TRP  13           HH2      TRP  13  31.774  -0.381   6.695
   95    H    LEU  14           H        LEU  14  31.921  -2.764   0.108
   96    HA   LEU  14           HA       LEU  14  33.946  -2.763   2.061
   97    HB2  LEU  14           HB2      LEU  14  32.888  -4.808   0.242
   98    HB3  LEU  14           HB3      LEU  14  34.026  -5.317   1.511
   99    HG   LEU  14           HG       LEU  14  31.280  -4.086   1.987
  100   HD11  LEU  14          HD11      LEU  14  30.646  -6.304   2.811
  101   HD12  LEU  14          HD12      LEU  14  31.117  -6.350   1.096
  102   HD13  LEU  14          HD13      LEU  14  32.246  -6.928   2.345
  103   HD21  LEU  14          HD21      LEU  14  31.662  -4.659   4.342
  104   HD22  LEU  14          HD22      LEU  14  33.297  -5.233   3.935
  105   HD23  LEU  14          HD23      LEU  14  32.886  -3.512   3.748
  106    H    ALA  15           H        ALA  15  34.019  -3.417  -1.419
  107    HA   ALA  15           HA       ALA  15  36.665  -4.269  -1.666
  108    HB1  ALA  15           HB1      ALA  15  36.465  -3.642  -4.040
  109    HB2  ALA  15           HB2      ALA  15  34.962  -2.769  -3.665
  110    HB3  ALA  15           HB3      ALA  15  35.041  -4.534  -3.455
  111    H    ASP  16           H        ASP  16  35.346  -1.014  -1.429
  112    HA   ASP  16           HA       ASP  16  37.913   0.199  -2.066
  113    HB2  ASP  16           HB2      ASP  16  35.213   1.082  -2.339
  114    HB3  ASP  16           HB3      ASP  16  35.968   1.910  -0.955
  115    H    DAL  17           H        DAL  17  37.282  -1.421   0.509
  116    HA   DAL  17           HA       DAL  17  38.808   0.279   2.261
  117    HB1  DAL  17           HB1      DAL  17  38.768  -1.639   3.804
  118    HB2  DAL  17           HB2      DAL  17  39.294  -2.099   2.168
  119    HB3  DAL  17           HB3      DAL  17  37.641  -2.476   2.710
  120    H    GLY  18           H        GLY  18  35.470  -0.252   1.726
  121    HA2  GLY  18           HA2      GLY  18  33.575   0.497   2.783
  122    HA3  GLY  18           HA3      GLY  18  34.381   0.022   4.296
  123    H    TRP  19           H        TRP  19  35.045   1.566   5.661
  124    HA   TRP  19           HA       TRP  19  34.175   4.223   5.321
  125    HB2  TRP  19           HB2      TRP  19  36.015   2.919   7.348
  126    HB3  TRP  19           HB3      TRP  19  35.587   4.645   7.420
  127    HD1  TRP  19           HD1      TRP  19  34.468   1.371   8.637
  128    HE1  TRP  19           HE1      TRP  19  32.089   1.531   9.608
  129    HE3  TRP  19           HE3      TRP  19  33.147   5.955   6.800
  130    HZ2  TRP  19           HZ2      TRP  19  29.936   3.360   9.596
  131    HZ3  TRP  19           HZ3      TRP  19  30.911   6.838   7.324
  132    HH2  TRP  19           HH2      TRP  19  29.340   5.565   8.693
  133    H    ALA  20           H        ALA  20  37.233   2.656   4.641
  134    HA   ALA  20           HA       ALA  20  38.572   5.204   4.164
  135    HB1  ALA  20           HB1      ALA  20  40.570   3.831   3.727
  136    HB2  ALA  20           HB2      ALA  20  39.588   2.363   3.933
  137    HB3  ALA  20           HB3      ALA  20  39.837   3.465   5.307
  138    H    SER  21           H        SER  21  36.375   4.790   2.478
  139    HA   SER  21           HA       SER  21  37.467   3.909  -0.083
  140    HB2  SER  21           HB2      SER  21  35.274   3.055   0.415
  141    HB3  SER  21           HB3      SER  21  34.668   4.688   0.774
  142    HG   SER  21           HG       SER  21  34.317   4.955  -1.288
  Start of MODEL   16
    1    H1   ARG   1           H1       ARG   1  32.354   7.612   1.211
    2    H2   ARG   1           H2       ARG   1  32.131   8.539   2.370
    3    H3   ARG   1           H3       ARG   1  32.503   7.106   2.616
    4    HA   ARG   1           HA       ARG   1  29.842   8.102   2.459
    5    HB2  ARG   1           HB2      ARG   1  28.949   6.511   0.731
    6    HB3  ARG   1           HB3      ARG   1  29.896   7.890   0.126
    7    HG2  ARG   1           HG2      ARG   1  31.655   6.562  -0.568
    8    HG3  ARG   1           HG3      ARG   1  31.307   5.293   0.631
    9    HD2  ARG   1           HD2      ARG   1  30.249   4.129  -0.962
   10    HD3  ARG   1           HD3      ARG   1  29.047   5.435  -1.077
   11    HE   ARG   1           HE       ARG   1  31.248   4.906  -2.888
   12   HH11  ARG   1          HH11      ARG   1  28.834   7.213  -1.819
   13   HH12  ARG   1          HH12      ARG   1  28.881   8.130  -3.312
   14   HH21  ARG   1          HH21      ARG   1  31.307   6.098  -4.827
   15   HH22  ARG   1          HH22      ARG   1  30.273   7.502  -5.005
   16    HA   PRO   2           HA       PRO   2  29.849   4.802   5.509
   17    HB2  PRO   2           HB2      PRO   2  26.945   5.456   5.749
   18    HB3  PRO   2           HB3      PRO   2  28.199   5.478   6.997
   19    HG2  PRO   2           HG2      PRO   2  27.180   7.763   5.972
   20    HG3  PRO   2           HG3      PRO   2  28.869   7.653   6.484
   21    HD2  PRO   2           HD2      PRO   2  27.726   7.620   3.681
   22    HD3  PRO   2           HD3      PRO   2  29.234   8.334   4.264
   23    HA   PRO   3           HA       PRO   3  28.441   1.100   3.562
   24    HB2  PRO   3           HB2      PRO   3  26.844   0.502   6.031
   25    HB3  PRO   3           HB3      PRO   3  28.065  -0.491   5.223
   26    HG2  PRO   3           HG2      PRO   3  28.545   0.911   7.533
   27    HG3  PRO   3           HG3      PRO   3  29.811   0.490   6.371
   28    HD2  PRO   3           HD2      PRO   3  28.656   3.149   6.976
   29    HD3  PRO   3           HD3      PRO   3  30.152   2.754   6.120
   30    HA   PRO   4           HA       PRO   4  24.341   2.523   2.304
   31    HB2  PRO   4           HB2      PRO   4  24.330   1.395  -0.168
   32    HB3  PRO   4           HB3      PRO   4  25.284   2.843   0.183
   33    HG2  PRO   4           HG2      PRO   4  26.185  -0.048   0.035
   34    HG3  PRO   4           HG3      PRO   4  26.979   1.401  -0.596
   35    HD2  PRO   4           HD2      PRO   4  27.714   0.191   1.787
   36    HD3  PRO   4           HD3      PRO   4  27.966   1.912   1.469
   37    H    SER   5           H        SER   5  22.315   1.597   2.220
   38    HA   SER   5           HA       SER   5  21.942  -0.971   3.330
   39    HB2  SER   5           HB2      SER   5  20.013   0.879   1.906
   40    HB3  SER   5           HB3      SER   5  19.525  -0.620   2.729
   41    HG   SER   5           HG       SER   5  19.325   1.243   4.086
   42    H    ASP   6           H        ASP   6  21.545   0.217  -0.008
   43    HA   ASP   6           HA       ASP   6  20.445  -2.020  -1.179
   44    HB2  ASP   6           HB2      ASP   6  22.429  -0.033  -2.419
   45    HB3  ASP   6           HB3      ASP   6  21.569  -1.385  -3.195
   46    H    AIB   7           H        AIB   7  21.153  -3.947  -1.957
   47   HB11  AIB   7          HB11      AIB   7  24.362  -6.166  -0.508
   48   HB12  AIB   7          HB12      AIB   7  24.270  -4.456  -0.021
   49   HB13  AIB   7          HB13      AIB   7  22.933  -5.566   0.364
   50   HB21  AIB   7          HB21      AIB   7  21.748  -6.646  -1.390
   51   HB22  AIB   7          HB22      AIB   7  22.598  -6.725  -2.878
   52   HB23  AIB   7          HB23      AIB   7  21.244  -5.685  -2.717
   53    H    ALA   8           H        ALA   8  22.957  -3.854  -4.047
   54    HA   ALA   8           HA       ALA   8  25.337  -4.815  -5.164
   55    HB1  ALA   8           HB1      ALA   8  25.070  -3.037  -6.848
   56    HB2  ALA   8           HB2      ALA   8  23.818  -2.285  -5.833
   57    HB3  ALA   8           HB3      ALA   8  23.545  -3.898  -6.533
   58    H    ALA   9           H        ALA   9  24.684  -1.638  -3.658
   59    HA   ALA   9           HA       ALA   9  27.289  -0.646  -4.197
   60    HB1  ALA   9           HB1      ALA   9  26.654   1.256  -2.773
   61    HB2  ALA   9           HB2      ALA   9  25.193   0.374  -2.274
   62    HB3  ALA   9           HB3      ALA   9  25.398   0.864  -3.972
   63    H    TYR  10           H        TYR  10  25.871  -2.369  -1.494
   64    HA   TYR  10           HA       TYR  10  27.752  -1.763   0.491
   65    HB2  TYR  10           HB2      TYR  10  25.621  -2.846   0.954
   66    HB3  TYR  10           HB3      TYR  10  26.158  -4.291   0.063
   67    HD1  TYR  10           HD1      TYR  10  26.944  -2.201   3.059
   68    HD2  TYR  10           HD2      TYR  10  27.334  -6.006   1.197
   69    HE1  TYR  10           HE1      TYR  10  27.907  -3.112   5.132
   70    HE2  TYR  10           HE2      TYR  10  28.304  -6.924   3.261
   71    HH   TYR  10           HH       TYR  10  28.913  -6.513   5.352
   72    H    ALA  11           H        ALA  11  27.858  -4.051  -2.173
   73    HA   ALA  11           HA       ALA  11  30.088  -5.554  -1.238
   74    HB1  ALA  11           HB1      ALA  11  30.177  -6.460  -3.526
   75    HB2  ALA  11           HB2      ALA  11  28.979  -5.250  -4.038
   76    HB3  ALA  11           HB3      ALA  11  28.529  -6.500  -2.855
   77    H    GLN  12           H        GLN  12  29.766  -3.031  -3.754
   78    HA   GLN  12           HA       GLN  12  32.505  -2.811  -4.339
   79    HB2  GLN  12           HB2      GLN  12  30.360  -1.827  -5.491
   80    HB3  GLN  12           HB3      GLN  12  30.718  -0.424  -4.456
   81    HG2  GLN  12           HG2      GLN  12  32.008   0.031  -6.667
   82    HG3  GLN  12           HG3      GLN  12  32.909  -0.494  -5.225
   83   HE21  GLN  12          HE22      GLN  12  34.641  -1.516  -6.081
   84   HE22  GLN  12          HE21      GLN  12  34.555  -2.850  -7.184
   85    H    TRP  13           H        TRP  13  30.504  -1.334  -1.856
   86    HA   TRP  13           HA       TRP  13  32.224   0.667  -0.947
   87    HB2  TRP  13           HB2      TRP  13  29.884   0.482  -0.176
   88    HB3  TRP  13           HB3      TRP  13  30.271  -1.044   0.655
   89    HD1  TRP  13           HD1      TRP  13  30.976   2.740   0.904
   90    HE1  TRP  13           HE1      TRP  13  31.557   3.261   3.358
   91    HE3  TRP  13           HE3      TRP  13  31.081  -2.020   2.735
   92    HZ2  TRP  13           HZ2      TRP  13  31.997   1.837   5.757
   93    HZ3  TRP  13           HZ3      TRP  13  31.594  -2.365   5.118
   94    HH2  TRP  13           HH2      TRP  13  32.045  -0.473   6.597
   95    H    LEU  14           H        LEU  14  31.994  -2.763  -0.016
   96    HA   LEU  14           HA       LEU  14  34.038  -2.754   1.929
   97    HB2  LEU  14           HB2      LEU  14  32.991  -4.791   0.095
   98    HB3  LEU  14           HB3      LEU  14  34.151  -5.297   1.345
   99    HG   LEU  14           HG       LEU  14  31.386  -4.126   1.861
  100   HD11  LEU  14          HD11      LEU  14  30.809  -6.367   2.666
  101   HD12  LEU  14          HD12      LEU  14  31.265  -6.383   0.946
  102   HD13  LEU  14          HD13      LEU  14  32.417  -6.951   2.178
  103   HD21  LEU  14          HD21      LEU  14  31.802  -4.718   4.206
  104   HD22  LEU  14          HD22      LEU  14  33.446  -5.252   3.779
  105   HD23  LEU  14          HD23      LEU  14  32.996  -3.538   3.615
  106    H    ALA  15           H        ALA  15  34.066  -3.364  -1.556
  107    HA   ALA  15           HA       ALA  15  36.710  -4.184  -1.864
  108    HB1  ALA  15           HB1      ALA  15  36.463  -3.521  -4.222
  109    HB2  ALA  15           HB2      ALA  15  34.959  -2.668  -3.807
  110    HB3  ALA  15           HB3      ALA  15  35.058  -4.435  -3.624
  111    H    ASP  16           H        ASP  16  35.388  -0.937  -1.534
  112    HA   ASP  16           HA       ASP  16  37.940   0.291  -2.213
  113    HB2  ASP  16           HB2      ASP  16  35.269   1.181  -2.477
  114    HB3  ASP  16           HB3      ASP  16  35.957   1.936  -1.018
  115    H    DAL  17           H        DAL  17  37.391  -1.379   0.342
  116    HA   DAL  17           HA       DAL  17  38.924   0.327   2.092
  117    HB1  DAL  17           HB1      DAL  17  39.015  -1.634   3.575
  118    HB2  DAL  17           HB2      DAL  17  39.510  -2.022   1.911
  119    HB3  DAL  17           HB3      DAL  17  37.893  -2.488   2.489
  120    H    GLY  18           H        GLY  18  35.607  -0.218   1.602
  121    HA2  GLY  18           HA2      GLY  18  33.720   0.421   2.741
  122    HA3  GLY  18           HA3      GLY  18  34.560  -0.132   4.208
  123    H    TRP  19           H        TRP  19  35.120   1.342   5.676
  124    HA   TRP  19           HA       TRP  19  34.280   4.023   5.432
  125    HB2  TRP  19           HB2      TRP  19  35.997   2.586   7.475
  126    HB3  TRP  19           HB3      TRP  19  35.615   4.319   7.611
  127    HD1  TRP  19           HD1      TRP  19  34.346   1.022   8.608
  128    HE1  TRP  19           HE1      TRP  19  31.934   1.208   9.485
  129    HE3  TRP  19           HE3      TRP  19  33.247   5.733   6.962
  130    HZ2  TRP  19           HZ2      TRP  19  29.841   3.104   9.479
  131    HZ3  TRP  19           HZ3      TRP  19  31.017   6.659   7.437
  132    HH2  TRP  19           HH2      TRP  19  29.350   5.369   8.669
  133    H    ALA  20           H        ALA  20  37.348   2.453   4.819
  134    HA   ALA  20           HA       ALA  20  38.744   4.997   4.529
  135    HB1  ALA  20           HB1      ALA  20  40.734   3.612   4.102
  136    HB2  ALA  20           HB2      ALA  20  39.720   2.153   4.186
  137    HB3  ALA  20           HB3      ALA  20  39.928   3.176   5.627
  138    H    SER  21           H        SER  21  36.627   4.755   2.737
  139    HA   SER  21           HA       SER  21  37.813   3.999   0.170
  140    HB2  SER  21           HB2      SER  21  35.622   3.090   0.502
  141    HB3  SER  21           HB3      SER  21  34.979   4.675   0.991
  142    HG   SER  21           HG       SER  21  34.504   4.070  -1.227
  Start of MODEL   17
    1    H1   ARG   1           H1       ARG   1  32.771   7.211   0.361
    2    H2   ARG   1           H2       ARG   1  32.675   8.341   1.342
    3    H3   ARG   1           H3       ARG   1  32.923   6.944   1.829
    4    HA   ARG   1           HA       ARG   1  30.357   8.146   1.543
    5    HB2  ARG   1           HB2      ARG   1  29.216   6.690   0.038
    6    HB3  ARG   1           HB3      ARG   1  30.640   7.371  -0.784
    7    HG2  ARG   1           HG2      ARG   1  31.705   5.076   0.187
    8    HG3  ARG   1           HG3      ARG   1  30.017   4.559  -0.038
    9    HD2  ARG   1           HD2      ARG   1  30.891   6.062  -2.340
   10    HD3  ARG   1           HD3      ARG   1  32.055   4.761  -1.996
   11    HE   ARG   1           HE       ARG   1  29.226   4.443  -2.699
   12   HH11  ARG   1          HH11      ARG   1  32.317   2.974  -1.939
   13   HH12  ARG   1          HH12      ARG   1  31.850   1.399  -2.549
   14   HH21  ARG   1          HH21      ARG   1  28.619   2.398  -3.487
   15   HH22  ARG   1          HH22      ARG   1  29.766   1.075  -3.420
   16    HA   PRO   2           HA       PRO   2  29.910   5.382   5.029
   17    HB2  PRO   2           HB2      PRO   2  27.005   5.976   4.985
   18    HB3  PRO   2           HB3      PRO   2  28.198   6.379   6.228
   19    HG2  PRO   2           HG2      PRO   2  27.086   8.261   4.607
   20    HG3  PRO   2           HG3      PRO   2  28.723   8.420   5.259
   21    HD2  PRO   2           HD2      PRO   2  27.855   7.615   2.471
   22    HD3  PRO   2           HD3      PRO   2  29.240   8.594   2.971
   23    HA   PRO   3           HA       PRO   3  28.490   1.445   3.598
   24    HB2  PRO   3           HB2      PRO   3  26.922   0.611   5.794
   25    HB3  PRO   3           HB3      PRO   3  28.669   0.378   5.641
   26    HG2  PRO   3           HG2      PRO   3  27.152   2.518   7.123
   27    HG3  PRO   3           HG3      PRO   3  28.655   1.697   7.564
   28    HD2  PRO   3           HD2      PRO   3  28.700   4.223   6.583
   29    HD3  PRO   3           HD3      PRO   3  29.978   3.078   6.159
   30    HA   PRO   4           HA       PRO   4  24.388   2.704   2.168
   31    HB2  PRO   4           HB2      PRO   4  24.468   1.466  -0.244
   32    HB3  PRO   4           HB3      PRO   4  25.383   2.950   0.057
   33    HG2  PRO   4           HG2      PRO   4  26.348   0.075   0.074
   34    HG3  PRO   4           HG3      PRO   4  27.123   1.506  -0.619
   35    HD2  PRO   4           HD2      PRO   4  27.824   0.438   1.849
   36    HD3  PRO   4           HD3      PRO   4  28.069   2.138   1.430
   37    H    SER   5           H        SER   5  22.463   1.747   2.464
   38    HA   SER   5           HA       SER   5  22.168  -0.729   3.676
   39    HB2  SER   5           HB2      SER   5  20.159   0.920   2.127
   40    HB3  SER   5           HB3      SER   5  19.731  -0.508   3.097
   41    HG   SER   5           HG       SER   5  19.504   1.469   4.278
   42    H    ASP   6           H        ASP   6  21.441   0.090   0.274
   43    HA   ASP   6           HA       ASP   6  20.410  -2.287  -0.601
   44    HB2  ASP   6           HB2      ASP   6  22.235  -0.382  -2.181
   45    HB3  ASP   6           HB3      ASP   6  21.370  -1.832  -2.750
   46    H    AIB   7           H        AIB   7  21.290  -4.110  -1.761
   47   HB11  AIB   7          HB11      AIB   7  24.525  -6.200  -0.055
   48   HB12  AIB   7          HB12      AIB   7  24.410  -4.463   0.316
   49   HB13  AIB   7          HB13      AIB   7  23.111  -5.569   0.820
   50   HB21  AIB   7          HB21      AIB   7  21.845  -6.749  -0.795
   51   HB22  AIB   7          HB22      AIB   7  22.707  -6.989  -2.258
   52   HB23  AIB   7          HB23      AIB   7  21.354  -5.937  -2.223
   53    H    ALA   8           H        ALA   8  23.018  -4.089  -3.655
   54    HA   ALA   8           HA       ALA   8  25.340  -5.206  -4.772
   55    HB1  ALA   8           HB1      ALA   8  25.024  -3.596  -6.607
   56    HB2  ALA   8           HB2      ALA   8  23.810  -2.742  -5.627
   57    HB3  ALA   8           HB3      ALA   8  23.510  -4.414  -6.156
   58    H    ALA   9           H        ALA   9  24.797  -1.822  -3.710
   59    HA   ALA   9           HA       ALA   9  27.464  -1.040  -4.244
   60    HB1  ALA   9           HB1      ALA   9  26.911   1.037  -3.049
   61    HB2  ALA   9           HB2      ALA   9  25.385   0.300  -2.510
   62    HB3  ALA   9           HB3      ALA   9  25.669   0.589  -4.242
   63    H    TYR  10           H        TYR  10  25.926  -2.411  -1.393
   64    HA   TYR  10           HA       TYR  10  27.808  -1.622   0.531
   65    HB2  TYR  10           HB2      TYR  10  25.562  -2.714   0.913
   66    HB3  TYR  10           HB3      TYR  10  26.365  -4.259   0.543
   67    HD1  TYR  10           HD1      TYR  10  26.839  -1.263   2.761
   68    HD2  TYR  10           HD2      TYR  10  27.216  -5.480   2.349
   69    HE1  TYR  10           HE1      TYR  10  27.600  -1.415   5.091
   70    HE2  TYR  10           HE2      TYR  10  27.980  -5.643   4.681
   71    HH   TYR  10           HH       TYR  10  27.507  -3.691   6.915
   72    H    ALA  11           H        ALA  11  27.869  -4.214  -1.840
   73    HA   ALA  11           HA       ALA  11  30.049  -5.664  -0.745
   74    HB1  ALA  11           HB1      ALA  11  30.179  -6.750  -2.951
   75    HB2  ALA  11           HB2      ALA  11  29.026  -5.557  -3.591
   76    HB3  ALA  11           HB3      ALA  11  28.513  -6.699  -2.327
   77    H    GLN  12           H        GLN  12  29.874  -3.366  -3.486
   78    HA   GLN  12           HA       GLN  12  32.628  -3.243  -3.998
   79    HB2  GLN  12           HB2      GLN  12  30.557  -2.311  -5.293
   80    HB3  GLN  12           HB3      GLN  12  30.879  -0.845  -4.338
   81    HG2  GLN  12           HG2      GLN  12  32.259  -0.545  -6.525
   82    HG3  GLN  12           HG3      GLN  12  33.095  -0.959  -5.010
   83   HE21  GLN  12          HE22      GLN  12  34.812  -2.165  -5.528
   84   HE22  GLN  12          HE21      GLN  12  34.800  -3.524  -6.602
   85    H    TRP  13           H        TRP  13  30.597  -1.547  -1.700
   86    HA   TRP  13           HA       TRP  13  32.321   0.483  -0.866
   87    HB2  TRP  13           HB2      TRP  13  29.946   0.370  -0.186
   88    HB3  TRP  13           HB3      TRP  13  30.287  -1.091   0.772
   89    HD1  TRP  13           HD1      TRP  13  31.168   2.677   0.738
   90    HE1  TRP  13           HE1      TRP  13  31.574   3.382   3.179
   91    HE3  TRP  13           HE3      TRP  13  30.785  -1.891   2.984
   92    HZ2  TRP  13           HZ2      TRP  13  31.715   2.169   5.724
   93    HZ3  TRP  13           HZ3      TRP  13  31.072  -2.041   5.425
   94    HH2  TRP  13           HH2      TRP  13  31.526  -0.050   6.766
   95    H    LEU  14           H        LEU  14  31.935  -2.837   0.372
   96    HA   LEU  14           HA       LEU  14  33.914  -2.729   2.366
   97    HB2  LEU  14           HB2      LEU  14  32.862  -4.884   0.673
   98    HB3  LEU  14           HB3      LEU  14  33.952  -5.317   2.010
   99    HG   LEU  14           HG       LEU  14  31.218  -4.007   2.304
  100   HD11  LEU  14          HD11      LEU  14  30.517  -6.140   3.282
  101   HD12  LEU  14          HD12      LEU  14  31.037  -6.329   1.591
  102   HD13  LEU  14          HD13      LEU  14  32.117  -6.826   2.915
  103   HD21  LEU  14          HD21      LEU  14  31.518  -4.392   4.708
  104   HD22  LEU  14          HD22      LEU  14  33.155  -5.022   4.400
  105   HD23  LEU  14          HD23      LEU  14  32.779  -3.315   4.062
  106    H    ALA  15           H        ALA  15  34.051  -3.675  -1.043
  107    HA   ALA  15           HA       ALA  15  36.725  -4.526  -1.122
  108    HB1  ALA  15           HB1      ALA  15  36.547  -4.235  -3.563
  109    HB2  ALA  15           HB2      ALA  15  35.013  -3.365  -3.330
  110    HB3  ALA  15           HB3      ALA  15  35.139  -5.081  -2.878
  111    H    ASP  16           H        ASP  16  35.328  -1.312  -1.238
  112    HA   ASP  16           HA       ASP  16  37.835  -0.104  -2.083
  113    HB2  ASP  16           HB2      ASP  16  35.112   0.672  -2.376
  114    HB3  ASP  16           HB3      ASP  16  35.858   1.651  -1.088
  115    H    DAL  17           H        DAL  17  37.287  -1.449   0.679
  116    HA   DAL  17           HA       DAL  17  38.829   0.470   2.183
  117    HB1  DAL  17           HB1      DAL  17  38.930  -1.284   3.907
  118    HB2  DAL  17           HB2      DAL  17  39.418  -1.881   2.304
  119    HB3  DAL  17           HB3      DAL  17  37.804  -2.271   2.944
  120    H    GLY  18           H        GLY  18  35.496  -0.239   1.846
  121    HA2  GLY  18           HA2      GLY  18  33.615   0.546   2.908
  122    HA3  GLY  18           HA3      GLY  18  34.497   0.242   4.423
  123    H    TRP  19           H        TRP  19  35.164   1.930   5.610
  124    HA   TRP  19           HA       TRP  19  34.186   4.518   5.046
  125    HB2  TRP  19           HB2      TRP  19  36.087   3.450   7.148
  126    HB3  TRP  19           HB3      TRP  19  35.659   5.175   7.055
  127    HD1  TRP  19           HD1      TRP  19  34.603   2.088   8.687
  128    HE1  TRP  19           HE1      TRP  19  32.233   2.327   9.662
  129    HE3  TRP  19           HE3      TRP  19  33.155   6.355   6.270
  130    HZ2  TRP  19           HZ2      TRP  19  30.039   4.092   9.437
  131    HZ3  TRP  19           HZ3      TRP  19  30.907   7.252   6.706
  132    HH2  TRP  19           HH2      TRP  19  29.382   6.142   8.255
  133    H    ALA  20           H        ALA  20  37.251   2.978   4.384
  134    HA   ALA  20           HA       ALA  20  38.503   5.512   3.655
  135    HB1  ALA  20           HB1      ALA  20  40.527   4.164   3.271
  136    HB2  ALA  20           HB2      ALA  20  39.598   2.692   3.637
  137    HB3  ALA  20           HB3      ALA  20  39.856   3.918   4.901
  138    H    SER  21           H        SER  21  36.262   4.868   2.093
  139    HA   SER  21           HA       SER  21  37.308   3.822  -0.426
  140    HB2  SER  21           HB2      SER  21  35.180   2.905   0.249
  141    HB3  SER  21           HB3      SER  21  34.499   4.534   0.459
  142    HG   SER  21           HG       SER  21  34.157   4.644  -1.630
  Start of MODEL   18
    1    H1   ARG   1           H1       ARG   1  32.662   7.712   1.095
    2    H2   ARG   1           H2       ARG   1  32.467   8.709   2.199
    3    H3   ARG   1           H3       ARG   1  32.845   7.295   2.524
    4    HA   ARG   1           HA       ARG   1  30.179   8.281   2.371
    5    HB2  ARG   1           HB2      ARG   1  29.200   6.716   0.743
    6    HB3  ARG   1           HB3      ARG   1  30.312   7.899   0.016
    7    HG2  ARG   1           HG2      ARG   1  32.090   6.161  -0.013
    8    HG3  ARG   1           HG3      ARG   1  30.917   4.984   0.626
    9    HD2  ARG   1           HD2      ARG   1  30.516   6.516  -1.964
   10    HD3  ARG   1           HD3      ARG   1  31.274   4.908  -1.883
   11    HE   ARG   1           HE       ARG   1  29.203   3.984  -1.313
   12   HH11  ARG   1          HH11      ARG   1  28.961   7.454  -1.748
   13   HH12  ARG   1          HH12      ARG   1  27.213   7.433  -1.871
   14   HH21  ARG   1          HH21      ARG   1  26.938   3.956  -1.469
   15   HH22  ARG   1          HH22      ARG   1  26.073   5.461  -1.713
   16    HA   PRO   2           HA       PRO   2  29.863   4.969   5.308
   17    HB2  PRO   2           HB2      PRO   2  27.269   5.263   6.051
   18    HB3  PRO   2           HB3      PRO   2  28.473   6.499   6.442
   19    HG2  PRO   2           HG2      PRO   2  26.411   6.471   4.231
   20    HG3  PRO   2           HG3      PRO   2  26.945   7.819   5.244
   21    HD2  PRO   2           HD2      PRO   2  27.861   7.341   2.634
   22    HD3  PRO   2           HD3      PRO   2  28.722   8.326   3.823
   23    HA   PRO   3           HA       PRO   3  28.409   1.180   3.545
   24    HB2  PRO   3           HB2      PRO   3  26.712   0.692   5.963
   25    HB3  PRO   3           HB3      PRO   3  27.998  -0.314   5.281
   26    HG2  PRO   3           HG2      PRO   3  28.307   1.207   7.544
   27    HG3  PRO   3           HG3      PRO   3  29.650   0.755   6.485
   28    HD2  PRO   3           HD2      PRO   3  28.378   3.416   6.859
   29    HD3  PRO   3           HD3      PRO   3  29.965   3.023   6.188
   30    HA   PRO   4           HA       PRO   4  24.376   2.624   2.098
   31    HB2  PRO   4           HB2      PRO   4  24.399   1.350  -0.307
   32    HB3  PRO   4           HB3      PRO   4  25.360   2.806  -0.018
   33    HG2  PRO   4           HG2      PRO   4  26.231  -0.094   0.007
   34    HG3  PRO   4           HG3      PRO   4  27.060   1.315  -0.669
   35    HD2  PRO   4           HD2      PRO   4  27.708   0.212   1.795
   36    HD3  PRO   4           HD3      PRO   4  27.998   1.911   1.398
   37    H    SER   5           H        SER   5  22.328   1.737   1.957
   38    HA   SER   5           HA       SER   5  21.852  -0.733   3.240
   39    HB2  SER   5           HB2      SER   5  20.023   1.050   1.616
   40    HB3  SER   5           HB3      SER   5  19.469  -0.375   2.526
   41    HG   SER   5           HG       SER   5  19.266   1.587   3.738
   42    H    ASP   6           H        ASP   6  21.594   0.208  -0.192
   43    HA   ASP   6           HA       ASP   6  20.470  -2.119  -1.183
   44    HB2  ASP   6           HB2      ASP   6  22.422  -0.207  -2.584
   45    HB3  ASP   6           HB3      ASP   6  21.581  -1.629  -3.250
   46    H    AIB   7           H        AIB   7  21.231  -4.058  -1.959
   47   HB11  AIB   7          HB11      AIB   7  24.392  -6.251  -0.365
   48   HB12  AIB   7          HB12      AIB   7  24.286  -4.541   0.116
   49   HB13  AIB   7          HB13      AIB   7  22.939  -5.650   0.465
   50   HB21  AIB   7          HB21      AIB   7  21.806  -6.717  -1.226
   51   HB22  AIB   7          HB22      AIB   7  22.654  -6.845  -2.711
   52   HB23  AIB   7          HB23      AIB   7  21.309  -5.791  -2.580
   53    H    ALA   8           H        ALA   8  23.066  -4.050  -3.983
   54    HA   ALA   8           HA       ALA   8  25.459  -5.067  -5.017
   55    HB1  ALA   8           HB1      ALA   8  25.225  -3.367  -6.784
   56    HB2  ALA   8           HB2      ALA   8  23.960  -2.566  -5.824
   57    HB3  ALA   8           HB3      ALA   8  23.693  -4.209  -6.454
   58    H    ALA   9           H        ALA   9  24.798  -1.818  -3.666
   59    HA   ALA   9           HA       ALA   9  27.427  -0.877  -4.195
   60    HB1  ALA   9           HB1      ALA   9  26.785   1.098  -2.878
   61    HB2  ALA   9           HB2      ALA   9  25.301   0.258  -2.372
   62    HB3  ALA   9           HB3      ALA   9  25.551   0.665  -4.086
   63    H    TYR  10           H        TYR  10  25.933  -2.472  -1.460
   64    HA   TYR  10           HA       TYR  10  27.766  -1.785   0.543
   65    HB2  TYR  10           HB2      TYR  10  25.618  -2.841   0.998
   66    HB3  TYR  10           HB3      TYR  10  26.176  -4.326   0.191
   67    HD1  TYR  10           HD1      TYR  10  26.897  -2.095   3.098
   68    HD2  TYR  10           HD2      TYR  10  27.314  -5.986   1.437
   69    HE1  TYR  10           HE1      TYR  10  27.802  -2.905   5.237
   70    HE2  TYR  10           HE2      TYR  10  28.227  -6.806   3.566
   71    HH   TYR  10           HH       TYR  10  28.607  -4.642   6.358
   72    H    ALA  11           H        ALA  11  27.935  -4.174  -2.022
   73    HA   ALA  11           HA       ALA  11  30.135  -5.642  -0.963
   74    HB1  ALA  11           HB1      ALA  11  30.274  -6.655  -3.203
   75    HB2  ALA  11           HB2      ALA  11  29.089  -5.469  -3.797
   76    HB3  ALA  11           HB3      ALA  11  28.612  -6.663  -2.567
   77    H    GLN  12           H        GLN  12  29.879  -3.230  -3.599
   78    HA   GLN  12           HA       GLN  12  32.638  -3.046  -4.119
   79    HB2  GLN  12           HB2      GLN  12  30.534  -2.114  -5.380
   80    HB3  GLN  12           HB3      GLN  12  30.858  -0.666  -4.397
   81    HG2  GLN  12           HG2      GLN  12  33.066  -1.809  -6.329
   82    HG3  GLN  12           HG3      GLN  12  31.667  -0.745  -6.602
   83   HE21  GLN  12          HE22      GLN  12  34.872  -1.056  -5.285
   84   HE22  GLN  12          HE21      GLN  12  35.068   0.596  -4.803
   85    H    TRP  13           H        TRP  13  30.565  -1.447  -1.774
   86    HA   TRP  13           HA       TRP  13  32.251   0.590  -0.898
   87    HB2  TRP  13           HB2      TRP  13  29.883   0.404  -0.196
   88    HB3  TRP  13           HB3      TRP  13  30.272  -1.065   0.731
   89    HD1  TRP  13           HD1      TRP  13  30.907   2.739   0.782
   90    HE1  TRP  13           HE1      TRP  13  31.387   3.406   3.220
   91    HE3  TRP  13           HE3      TRP  13  31.028  -1.909   2.879
   92    HZ2  TRP  13           HZ2      TRP  13  31.767   2.128   5.711
   93    HZ3  TRP  13           HZ3      TRP  13  31.461  -2.112   5.293
   94    HH2  TRP  13           HH2      TRP  13  31.825  -0.131   6.679
   95    H    LEU  14           H        LEU  14  32.007  -2.796   0.178
   96    HA   LEU  14           HA       LEU  14  34.004  -2.690   2.171
   97    HB2  LEU  14           HB2      LEU  14  32.987  -4.815   0.422
   98    HB3  LEU  14           HB3      LEU  14  34.121  -5.261   1.718
   99    HG   LEU  14           HG       LEU  14  31.350  -4.058   2.118
  100   HD11  LEU  14          HD11      LEU  14  30.756  -6.254   3.030
  101   HD12  LEU  14          HD12      LEU  14  31.247  -6.363   1.324
  102   HD13  LEU  14          HD13      LEU  14  32.374  -6.861   2.609
  103   HD21  LEU  14          HD21      LEU  14  31.720  -4.522   4.499
  104   HD22  LEU  14          HD22      LEU  14  33.370  -5.083   4.133
  105   HD23  LEU  14          HD23      LEU  14  32.930  -3.379   3.869
  106    H    ALA  15           H        ALA  15  34.110  -3.542  -1.267
  107    HA   ALA  15           HA       ALA  15  36.763  -4.357  -1.465
  108    HB1  ALA  15           HB1      ALA  15  36.567  -3.845  -3.866
  109    HB2  ALA  15           HB2      ALA  15  35.053  -2.971  -3.538
  110    HB3  ALA  15           HB3      ALA  15  35.150  -4.723  -3.242
  111    H    ASP  16           H        ASP  16  35.420  -1.107  -1.367
  112    HA   ASP  16           HA       ASP  16  37.976   0.095  -2.071
  113    HB2  ASP  16           HB2      ASP  16  35.273   0.946  -2.383
  114    HB3  ASP  16           HB3      ASP  16  36.014   1.836  -1.030
  115    H    DAL  17           H        DAL  17  37.378  -1.414   0.576
  116    HA   DAL  17           HA       DAL  17  38.881   0.393   2.244
  117    HB1  DAL  17           HB1      DAL  17  38.921  -1.468   3.854
  118    HB2  DAL  17           HB2      DAL  17  39.446  -1.968   2.230
  119    HB3  DAL  17           HB3      DAL  17  37.813  -2.380   2.802
  120    H    GLY  18           H        GLY  18  35.551  -0.347   1.806
  121    HA2  GLY  18           HA2      GLY  18  33.643   0.383   2.856
  122    HA3  GLY  18           HA3      GLY  18  34.499   0.023   4.374
  123    H    TRP  19           H        TRP  19  35.065   1.666   5.659
  124    HA   TRP  19           HA       TRP  19  34.094   4.266   5.152
  125    HB2  TRP  19           HB2      TRP  19  35.829   3.063   7.309
  126    HB3  TRP  19           HB3      TRP  19  35.553   4.820   7.247
  127    HD1  TRP  19           HD1      TRP  19  34.095   1.728   8.611
  128    HE1  TRP  19           HE1      TRP  19  31.723   2.170   9.504
  129    HE3  TRP  19           HE3      TRP  19  33.285   6.319   6.518
  130    HZ2  TRP  19           HZ2      TRP  19  29.765   4.201   9.342
  131    HZ3  TRP  19           HZ3      TRP  19  31.138   7.445   6.935
  132    HH2  TRP  19           HH2      TRP  19  29.415   6.405   8.317
  133    H    ALA  20           H        ALA  20  37.211   2.776   4.608
  134    HA   ALA  20           HA       ALA  20  38.486   5.337   4.048
  135    HB1  ALA  20           HB1      ALA  20  40.522   4.003   3.675
  136    HB2  ALA  20           HB2      ALA  20  39.575   2.517   3.920
  137    HB3  ALA  20           HB3      ALA  20  39.782   3.670   5.259
  138    H    SER  21           H        SER  21  36.319   4.819   2.361
  139    HA   SER  21           HA       SER  21  37.470   3.907  -0.168
  140    HB2  SER  21           HB2      SER  21  35.338   2.925   0.325
  141    HB3  SER  21           HB3      SER  21  34.628   4.517   0.676
  142    HG   SER  21           HG       SER  21  34.182   3.595  -1.482
  Start of MODEL   19
    1    H1   ARG   1           H1       ARG   1  32.822   7.665   2.052
    2    H2   ARG   1           H2       ARG   1  32.602   8.517   3.267
    3    H3   ARG   1           H3       ARG   1  32.976   7.072   3.421
    4    HA   ARG   1           HA       ARG   1  30.313   8.071   3.339
    5    HB2  ARG   1           HB2      ARG   1  29.357   6.774   1.503
    6    HB3  ARG   1           HB3      ARG   1  30.540   7.980   0.945
    7    HG2  ARG   1           HG2      ARG   1  32.250   6.127   0.850
    8    HG3  ARG   1           HG3      ARG   1  30.930   4.978   1.181
    9    HD2  ARG   1           HD2      ARG   1  30.990   6.905  -1.168
   10    HD3  ARG   1           HD3      ARG   1  31.493   5.201  -1.251
   11    HE   ARG   1           HE       ARG   1  29.252   4.553  -0.989
   12   HH11  ARG   1          HH11      ARG   1  29.584   8.043  -1.030
   13   HH12  ARG   1          HH12      ARG   1  27.883   8.317  -1.352
   14   HH21  ARG   1          HH21      ARG   1  27.047   4.909  -1.409
   15   HH22  ARG   1          HH22      ARG   1  26.454   6.551  -1.565
   16    HA   PRO   2           HA       PRO   2  29.952   4.411   5.823
   17    HB2  PRO   2           HB2      PRO   2  27.358   4.630   6.581
   18    HB3  PRO   2           HB3      PRO   2  28.566   5.802   7.127
   19    HG2  PRO   2           HG2      PRO   2  26.514   6.060   4.920
   20    HG3  PRO   2           HG3      PRO   2  27.055   7.271   6.091
   21    HD2  PRO   2           HD2      PRO   2  27.980   7.093   3.442
   22    HD3  PRO   2           HD3      PRO   2  28.833   7.936   4.741
   23    HA   PRO   3           HA       PRO   3  28.480   0.913   3.543
   24    HB2  PRO   3           HB2      PRO   3  26.861   0.016   5.883
   25    HB3  PRO   3           HB3      PRO   3  28.181  -0.821   5.054
   26    HG2  PRO   3           HG2      PRO   3  28.430   0.373   7.521
   27    HG3  PRO   3           HG3      PRO   3  29.788   0.093   6.422
   28    HD2  PRO   3           HD2      PRO   3  28.472   2.655   7.148
   29    HD3  PRO   3           HD3      PRO   3  30.063   2.383   6.425
   30    HA   PRO   4           HA       PRO   4  24.380   2.425   2.422
   31    HB2  PRO   4           HB2      PRO   4  24.307   1.417  -0.097
   32    HB3  PRO   4           HB3      PRO   4  25.306   2.820   0.305
   33    HG2  PRO   4           HG2      PRO   4  26.123  -0.085   0.015
   34    HG3  PRO   4           HG3      PRO   4  26.945   1.367  -0.571
   35    HD2  PRO   4           HD2      PRO   4  27.690   0.043   1.748
   36    HD3  PRO   4           HD3      PRO   4  27.978   1.769   1.498
   37    H    SER   5           H        SER   5  22.320   1.539   2.239
   38    HA   SER   5           HA       SER   5  21.898  -1.049   3.290
   39    HB2  SER   5           HB2      SER   5  20.011   0.869   1.904
   40    HB3  SER   5           HB3      SER   5  19.492  -0.643   2.683
   41    HG   SER   5           HG       SER   5  19.314   1.186   4.089
   42    H    ASP   6           H        ASP   6  21.605   0.228  -0.020
   43    HA   ASP   6           HA       ASP   6  20.421  -1.969  -1.224
   44    HB2  ASP   6           HB2      ASP   6  22.362   0.070  -2.446
   45    HB3  ASP   6           HB3      ASP   6  21.509  -1.272  -3.249
   46    H    AIB   7           H        AIB   7  21.115  -3.850  -2.138
   47   HB11  AIB   7          HB11      AIB   7  24.321  -6.141  -0.817
   48   HB12  AIB   7          HB12      AIB   7  24.237  -4.454  -0.257
   49   HB13  AIB   7          HB13      AIB   7  22.899  -5.575   0.089
   50   HB21  AIB   7          HB21      AIB   7  21.710  -6.585  -1.705
   51   HB22  AIB   7          HB22      AIB   7  22.555  -6.596  -3.197
   52   HB23  AIB   7          HB23      AIB   7  21.200  -5.567  -2.987
   53    H    ALA   8           H        ALA   8  22.886  -3.697  -4.250
   54    HA   ALA   8           HA       ALA   8  25.266  -4.588  -5.423
   55    HB1  ALA   8           HB1      ALA   8  24.981  -2.738  -7.023
   56    HB2  ALA   8           HB2      ALA   8  23.730  -2.039  -5.969
   57    HB3  ALA   8           HB3      ALA   8  23.461  -3.620  -6.739
   58    H    ALA   9           H        ALA   9  24.597  -1.480  -3.787
   59    HA   ALA   9           HA       ALA   9  27.188  -0.442  -4.281
   60    HB1  ALA   9           HB1      ALA   9  26.553   1.372  -2.748
   61    HB2  ALA   9           HB2      ALA   9  25.105   0.450  -2.282
   62    HB3  ALA   9           HB3      ALA   9  25.287   1.035  -3.953
   63    H    TYR  10           H        TYR  10  25.810  -2.317  -1.657
   64    HA   TYR  10           HA       TYR  10  27.706  -1.802   0.337
   65    HB2  TYR  10           HB2      TYR  10  25.594  -2.938   0.760
   66    HB3  TYR  10           HB3      TYR  10  26.143  -4.326  -0.211
   67    HD1  TYR  10           HD1      TYR  10  26.938  -2.381   2.878
   68    HD2  TYR  10           HD2      TYR  10  27.359  -6.078   0.819
   69    HE1  TYR  10           HE1      TYR  10  27.940  -3.380   4.889
   70    HE2  TYR  10           HE2      TYR  10  28.368  -7.087   2.821
   71    HH   TYR  10           HH       TYR  10  28.996  -6.775   4.925
   72    H    ALA  11           H        ALA  11  27.823  -3.923  -2.457
   73    HA   ALA  11           HA       ALA  11  30.083  -5.446  -1.620
   74    HB1  ALA  11           HB1      ALA  11  30.156  -6.235  -3.952
   75    HB2  ALA  11           HB2      ALA  11  28.932  -5.021  -4.387
   76    HB3  ALA  11           HB3      ALA  11  28.519  -6.336  -3.262
   77    H    GLN  12           H        GLN  12  29.692  -2.794  -3.993
   78    HA   GLN  12           HA       GLN  12  32.425  -2.509  -4.595
   79    HB2  GLN  12           HB2      GLN  12  30.255  -1.505  -5.680
   80    HB3  GLN  12           HB3      GLN  12  30.601  -0.148  -4.582
   81    HG2  GLN  12           HG2      GLN  12  31.877   0.447  -6.761
   82    HG3  GLN  12           HG3      GLN  12  32.799  -0.175  -5.373
   83   HE21  GLN  12          HE22      GLN  12  34.529  -1.049  -6.428
   84   HE22  GLN  12          HE21      GLN  12  34.413  -2.341  -7.576
   85    H    TRP  13           H        TRP  13  30.422  -1.205  -2.023
   86    HA   TRP  13           HA       TRP  13  32.102   0.787  -1.020
   87    HB2  TRP  13           HB2      TRP  13  29.766   0.489  -0.256
   88    HB3  TRP  13           HB3      TRP  13  30.210  -1.058   0.504
   89    HD1  TRP  13           HD1      TRP  13  30.759   2.735   0.932
   90    HE1  TRP  13           HE1      TRP  13  31.329   3.155   3.408
   91    HE3  TRP  13           HE3      TRP  13  31.090  -2.102   2.518
   92    HZ2  TRP  13           HZ2      TRP  13  31.847   1.632   5.731
   93    HZ3  TRP  13           HZ3      TRP  13  31.633  -2.545   4.878
   94    HH2  TRP  13           HH2      TRP  13  32.005  -0.712   6.450
   95    H    LEU  14           H        LEU  14  31.963  -2.694  -0.290
   96    HA   LEU  14           HA       LEU  14  34.026  -2.746   1.640
   97    HB2  LEU  14           HB2      LEU  14  32.990  -4.708  -0.281
   98    HB3  LEU  14           HB3      LEU  14  34.174  -5.255   0.929
   99    HG   LEU  14           HG       LEU  14  31.398  -4.154   1.538
  100   HD11  LEU  14          HD11      LEU  14  30.862  -6.440   2.235
  101   HD12  LEU  14          HD12      LEU  14  31.296  -6.366   0.512
  102   HD13  LEU  14          HD13      LEU  14  32.472  -6.976   1.700
  103   HD21  LEU  14          HD21      LEU  14  31.857  -4.857   3.844
  104   HD22  LEU  14          HD22      LEU  14  33.501  -5.348   3.366
  105   HD23  LEU  14          HD23      LEU  14  33.028  -3.633   3.296
  106    H    ALA  15           H        ALA  15  34.017  -3.237  -1.867
  107    HA   ALA  15           HA       ALA  15  36.700  -3.944  -2.211
  108    HB1  ALA  15           HB1      ALA  15  36.388  -3.290  -4.564
  109    HB2  ALA  15           HB2      ALA  15  34.848  -2.515  -4.126
  110    HB3  ALA  15           HB3      ALA  15  35.039  -4.276  -3.952
  111    H    ASP  16           H        ASP  16  35.222  -0.789  -1.787
  112    HA   ASP  16           HA       ASP  16  37.634   0.615  -2.582
  113    HB2  ASP  16           HB2      ASP  16  34.861   1.351  -2.436
  114    HB3  ASP  16           HB3      ASP  16  35.791   2.172  -1.157
  115    H    DAL  17           H        DAL  17  37.083  -1.122   0.066
  116    HA   DAL  17           HA       DAL  17  38.739   0.621   1.729
  117    HB1  DAL  17           HB1      DAL  17  39.214  -1.408   3.037
  118    HB2  DAL  17           HB2      DAL  17  39.602  -1.610   1.313
  119    HB3  DAL  17           HB3      DAL  17  38.117  -2.328   1.980
  120    H    GLY  18           H        GLY  18  35.500   0.066   1.393
  121    HA2  GLY  18           HA2      GLY  18  33.659   0.375   2.732
  122    HA3  GLY  18           HA3      GLY  18  34.603  -0.378   4.038
  123    H    TRP  19           H        TRP  19  35.181   0.859   5.708
  124    HA   TRP  19           HA       TRP  19  34.318   3.568   5.849
  125    HB2  TRP  19           HB2      TRP  19  35.824   1.736   7.719
  126    HB3  TRP  19           HB3      TRP  19  35.672   3.470   8.088
  127    HD1  TRP  19           HD1      TRP  19  34.005   0.323   8.768
  128    HE1  TRP  19           HE1      TRP  19  31.583   0.702   9.556
  129    HE3  TRP  19           HE3      TRP  19  33.450   5.208   7.369
  130    HZ2  TRP  19           HZ2      TRP  19  29.689   2.796   9.582
  131    HZ3  TRP  19           HZ3      TRP  19  31.305   6.326   7.811
  132    HH2  TRP  19           HH2      TRP  19  29.462   5.143   8.893
  133    H    ALA  20           H        ALA  20  37.366   2.022   5.114
  134    HA   ALA  20           HA       ALA  20  38.812   4.559   5.232
  135    HB1  ALA  20           HB1      ALA  20  40.808   3.202   4.740
  136    HB2  ALA  20           HB2      ALA  20  39.777   1.760   4.598
  137    HB3  ALA  20           HB3      ALA  20  39.923   2.599   6.160
  138    H    SER  21           H        SER  21  36.765   4.511   3.322
  139    HA   SER  21           HA       SER  21  38.083   4.078   0.747
  140    HB2  SER  21           HB2      SER  21  35.868   3.137   0.903
  141    HB3  SER  21           HB3      SER  21  35.205   4.686   1.472
  142    HG   SER  21           HG       SER  21  36.442   4.328  -1.070
  Start of MODEL   20
    1    H1   ARG   1           H1       ARG   1  32.285   7.784   1.306
    2    H2   ARG   1           H2       ARG   1  32.121   8.649   2.521
    3    H3   ARG   1           H3       ARG   1  32.629   7.245   2.663
    4    HA   ARG   1           HA       ARG   1  29.895   8.020   2.840
    5    HB2  ARG   1           HB2      ARG   1  28.884   6.559   1.144
    6    HB3  ARG   1           HB3      ARG   1  29.856   7.876   0.447
    7    HG2  ARG   1           HG2      ARG   1  31.698   6.325   0.019
    8    HG3  ARG   1           HG3      ARG   1  30.783   5.002   0.782
    9    HD2  ARG   1           HD2      ARG   1  29.831   6.532  -1.661
   10    HD3  ARG   1           HD3      ARG   1  30.738   5.004  -1.741
   11    HE   ARG   1           HE       ARG   1  28.871   3.877  -0.888
   12   HH11  ARG   1          HH11      ARG   1  28.247   7.311  -1.209
   13   HH12  ARG   1          HH12      ARG   1  26.508   7.124  -1.097
   14   HH21  ARG   1          HH21      ARG   1  26.618   3.634  -0.748
   15   HH22  ARG   1          HH22      ARG   1  25.590   5.051  -0.837
   16    HA   PRO   2           HA       PRO   2  30.168   4.442   5.462
   17    HB2  PRO   2           HB2      PRO   2  27.675   4.509   6.547
   18    HB3  PRO   2           HB3      PRO   2  28.881   5.742   6.939
   19    HG2  PRO   2           HG2      PRO   2  26.551   5.890   5.023
   20    HG3  PRO   2           HG3      PRO   2  27.181   7.130   6.116
   21    HD2  PRO   2           HD2      PRO   2  27.747   7.009   3.372
   22    HD3  PRO   2           HD3      PRO   2  28.742   7.872   4.552
   23    HA   PRO   3           HA       PRO   3  28.479   0.793   3.637
   24    HB2  PRO   3           HB2      PRO   3  27.046  -0.398   5.745
   25    HB3  PRO   3           HB3      PRO   3  28.783  -0.581   5.469
   26    HG2  PRO   3           HG2      PRO   3  27.335   1.252   7.366
   27    HG3  PRO   3           HG3      PRO   3  28.871   0.401   7.577
   28    HD2  PRO   3           HD2      PRO   3  28.797   3.067   7.023
   29    HD3  PRO   3           HD3      PRO   3  30.097   2.043   6.400
   30    HA   PRO   4           HA       PRO   4  24.301   2.240   2.692
   31    HB2  PRO   4           HB2      PRO   4  24.231   1.400   0.112
   32    HB3  PRO   4           HB3      PRO   4  25.153   2.832   0.588
   33    HG2  PRO   4           HG2      PRO   4  26.135   0.015   0.068
   34    HG3  PRO   4           HG3      PRO   4  26.864   1.556  -0.404
   35    HD2  PRO   4           HD2      PRO   4  27.694   0.078   1.805
   36    HD3  PRO   4           HD3      PRO   4  27.927   1.825   1.665
   37    H    SER   5           H        SER   5  22.403   1.225   2.947
   38    HA   SER   5           HA       SER   5  22.143  -1.442   3.658
   39    HB2  SER   5           HB2      SER   5  20.079   0.476   2.551
   40    HB3  SER   5           HB3      SER   5  19.685  -1.118   3.235
   41    HG   SER   5           HG       SER   5  19.516   0.584   4.795
   42    H    ASP   6           H        ASP   6  21.406   0.055   0.500
   43    HA   ASP   6           HA       ASP   6  20.379  -2.092  -0.855
   44    HB2  ASP   6           HB2      ASP   6  20.674   0.290  -1.808
   45    HB3  ASP   6           HB3      ASP   6  22.382  -0.204  -1.903
   46    H    AIB   7           H        AIB   7  21.102  -3.946  -1.737
   47   HB11  AIB   7          HB11      AIB   7  24.477  -6.089  -0.668
   48   HB12  AIB   7          HB12      AIB   7  24.332  -4.421  -0.067
   49   HB13  AIB   7          HB13      AIB   7  23.068  -5.616   0.309
   50   HB21  AIB   7          HB21      AIB   7  21.801  -6.611  -1.447
   51   HB22  AIB   7          HB22      AIB   7  22.669  -6.631  -2.926
   52   HB23  AIB   7          HB23      AIB   7  21.280  -5.640  -2.760
   53    H    ALA   8           H        ALA   8  22.738  -3.614  -3.960
   54    HA   ALA   8           HA       ALA   8  25.040  -4.417  -5.331
   55    HB1  ALA   8           HB1      ALA   8  24.597  -2.533  -6.855
   56    HB2  ALA   8           HB2      ALA   8  23.411  -1.893  -5.693
   57    HB3  ALA   8           HB3      ALA   8  23.124  -3.461  -6.484
   58    H    ALA   9           H        ALA   9  24.436  -1.339  -3.606
   59    HA   ALA   9           HA       ALA   9  26.999  -0.288  -4.223
   60    HB1  ALA   9           HB1      ALA   9  26.437   1.513  -2.647
   61    HB2  ALA   9           HB2      ALA   9  25.012   0.588  -2.121
   62    HB3  ALA   9           HB3      ALA   9  25.116   1.185  -3.794
   63    H    TYR  10           H        TYR  10  25.767  -2.225  -1.576
   64    HA   TYR  10           HA       TYR  10  27.744  -1.695   0.338
   65    HB2  TYR  10           HB2      TYR  10  25.557  -2.964   0.615
   66    HB3  TYR  10           HB3      TYR  10  26.429  -4.372  -0.039
   67    HD1  TYR  10           HD1      TYR  10  26.740  -1.782   2.664
   68    HD2  TYR  10           HD2      TYR  10  27.539  -5.783   1.463
   69    HE1  TYR  10           HE1      TYR  10  27.634  -2.272   4.902
   70    HE2  TYR  10           HE2      TYR  10  28.438  -6.283   3.699
   71    HH   TYR  10           HH       TYR  10  29.529  -4.376   5.709
   72    H    ALA  11           H        ALA  11  27.740  -3.803  -2.471
   73    HA   ALA  11           HA       ALA  11  30.044  -5.318  -1.773
   74    HB1  ALA  11           HB1      ALA  11  30.036  -6.039  -4.127
   75    HB2  ALA  11           HB2      ALA  11  28.794  -4.817  -4.483
   76    HB3  ALA  11           HB3      ALA  11  28.424  -6.166  -3.383
   77    H    GLN  12           H        GLN  12  29.556  -2.601  -4.051
   78    HA   GLN  12           HA       GLN  12  32.262  -2.284  -4.748
   79    HB2  GLN  12           HB2      GLN  12  30.041  -1.257  -5.709
   80    HB3  GLN  12           HB3      GLN  12  30.440   0.071  -4.594
   81    HG2  GLN  12           HG2      GLN  12  31.653   0.767  -6.750
   82    HG3  GLN  12           HG3      GLN  12  32.637  -0.034  -5.503
   83   HE21  GLN  12          HE22      GLN  12  34.149  -1.209  -6.502
   84   HE22  GLN  12          HE21      GLN  12  33.879  -2.271  -7.844
   85    H    TRP  13           H        TRP  13  30.360  -1.062  -2.065
   86    HA   TRP  13           HA       TRP  13  32.083   0.898  -1.064
   87    HB2  TRP  13           HB2      TRP  13  29.772   0.592  -0.237
   88    HB3  TRP  13           HB3      TRP  13  30.228  -0.980   0.462
   89    HD1  TRP  13           HD1      TRP  13  30.953   2.786   0.945
   90    HE1  TRP  13           HE1      TRP  13  31.544   3.144   3.425
   91    HE3  TRP  13           HE3      TRP  13  30.982  -2.084   2.475
   92    HZ2  TRP  13           HZ2      TRP  13  31.967   1.566   5.730
   93    HZ3  TRP  13           HZ3      TRP  13  31.493  -2.581   4.832
   94    HH2  TRP  13           HH2      TRP  13  31.975  -0.792   6.424
   95    H    LEU  14           H        LEU  14  31.915  -2.591  -0.382
   96    HA   LEU  14           HA       LEU  14  34.031  -2.707   1.478
   97    HB2  LEU  14           HB2      LEU  14  32.914  -4.614  -0.452
   98    HB3  LEU  14           HB3      LEU  14  34.123  -5.205   0.711
   99    HG   LEU  14           HG       LEU  14  31.381  -4.080   1.419
  100   HD11  LEU  14          HD11      LEU  14  30.837  -6.375   2.088
  101   HD12  LEU  14          HD12      LEU  14  31.224  -6.270   0.354
  102   HD13  LEU  14          HD13      LEU  14  32.425  -6.917   1.497
  103   HD21  LEU  14          HD21      LEU  14  31.888  -4.829   3.699
  104   HD22  LEU  14          HD22      LEU  14  33.514  -5.327   3.171
  105   HD23  LEU  14          HD23      LEU  14  33.058  -3.607   3.143
  106    H    ALA  15           H        ALA  15  33.932  -3.031  -2.041
  107    HA   ALA  15           HA       ALA  15  36.577  -3.819  -2.491
  108    HB1  ALA  15           HB1      ALA  15  36.241  -3.009  -4.791
  109    HB2  ALA  15           HB2      ALA  15  34.743  -2.205  -4.272
  110    HB3  ALA  15           HB3      ALA  15  34.867  -3.979  -4.210
  111    H    ASP  16           H        ASP  16  35.199  -0.607  -1.994
  112    HA   ASP  16           HA       ASP  16  37.659   0.736  -2.693
  113    HB2  ASP  16           HB2      ASP  16  34.936   1.570  -2.526
  114    HB3  ASP  16           HB3      ASP  16  35.845   2.246  -1.152
  115    H    DAL  17           H        DAL  17  36.913  -1.054  -0.060
  116    HA   DAL  17           HA       DAL  17  38.707   0.519   1.647
  117    HB1  DAL  17           HB1      DAL  17  39.113  -1.586   2.854
  118    HB2  DAL  17           HB2      DAL  17  39.489  -1.717   1.120
  119    HB3  DAL  17           HB3      DAL  17  37.981  -2.414   1.758
  120    H    GLY  18           H        GLY  18  35.485   0.275   1.288
  121    HA2  GLY  18           HA2      GLY  18  33.655   0.582   2.641
  122    HA3  GLY  18           HA3      GLY  18  34.528  -0.342   3.886
  123    H    TRP  19           H        TRP  19  35.249   0.712   5.632
  124    HA   TRP  19           HA       TRP  19  34.574   3.458   5.995
  125    HB2  TRP  19           HB2      TRP  19  36.013   1.421   7.715
  126    HB3  TRP  19           HB3      TRP  19  35.836   3.117   8.223
  127    HD1  TRP  19           HD1      TRP  19  34.179  -0.101   8.571
  128    HE1  TRP  19           HE1      TRP  19  31.743   0.189   9.351
  129    HE3  TRP  19           HE3      TRP  19  33.622   4.898   7.656
  130    HZ2  TRP  19           HZ2      TRP  19  29.838   2.263   9.552
  131    HZ3  TRP  19           HZ3      TRP  19  31.462   5.958   8.169
  132    HH2  TRP  19           HH2      TRP  19  29.609   4.665   9.096
  133    H    ALA  20           H        ALA  20  37.478   1.760   5.063
  134    HA   ALA  20           HA       ALA  20  39.115   4.163   5.384
  135    HB1  ALA  20           HB1      ALA  20  41.010   2.705   4.795
  136    HB2  ALA  20           HB2      ALA  20  39.878   1.353   4.559
  137    HB3  ALA  20           HB3      ALA  20  40.080   2.072   6.174
  138    H    SER  21           H        SER  21  37.070   4.378   3.471
  139    HA   SER  21           HA       SER  21  38.406   4.074   0.881
  140    HB2  SER  21           HB2      SER  21  36.159   3.176   0.969
  141    HB3  SER  21           HB3      SER  21  35.532   4.718   1.595
  142    HG   SER  21           HG       SER  21  35.179   4.540  -0.657
  Start of MODEL   21
    1    H1   ARG   1           H1       ARG   1  32.642   7.300   0.388
    2    H2   ARG   1           H2       ARG   1  32.600   8.334   1.474
    3    H3   ARG   1           H3       ARG   1  32.879   6.900   1.814
    4    HA   ARG   1           HA       ARG   1  30.301   8.106   1.794
    5    HB2  ARG   1           HB2      ARG   1  29.116   6.505   0.293
    6    HB3  ARG   1           HB3      ARG   1  30.171   7.683  -0.523
    7    HG2  ARG   1           HG2      ARG   1  31.773   6.058  -1.071
    8    HG3  ARG   1           HG3      ARG   1  31.165   4.915   0.151
    9    HD2  ARG   1           HD2      ARG   1  29.592   4.073  -1.243
   10    HD3  ARG   1           HD3      ARG   1  29.187   5.673  -1.907
   11    HE   ARG   1           HE       ARG   1  31.044   3.755  -2.984
   12   HH11  ARG   1          HH11      ARG   1  30.160   7.143  -2.879
   13   HH12  ARG   1          HH12      ARG   1  30.915   7.510  -4.417
   14   HH21  ARG   1          HH21      ARG   1  32.029   4.229  -4.978
   15   HH22  ARG   1          HH22      ARG   1  31.969   5.867  -5.600
   16    HA   PRO   2           HA       PRO   2  30.144   5.093   5.097
   17    HB2  PRO   2           HB2      PRO   2  27.237   5.737   5.246
   18    HB3  PRO   2           HB3      PRO   2  28.484   5.927   6.486
   19    HG2  PRO   2           HG2      PRO   2  27.423   8.056   5.192
   20    HG3  PRO   2           HG3      PRO   2  29.105   8.044   5.738
   21    HD2  PRO   2           HD2      PRO   2  28.010   7.659   2.941
   22    HD3  PRO   2           HD3      PRO   2  29.491   8.474   3.459
   23    HA   PRO   3           HA       PRO   3  28.561   1.276   3.539
   24    HB2  PRO   3           HB2      PRO   3  27.104   0.304   5.738
   25    HB3  PRO   3           HB3      PRO   3  28.849   0.113   5.518
   26    HG2  PRO   3           HG2      PRO   3  27.342   2.148   7.156
   27    HG3  PRO   3           HG3      PRO   3  28.859   1.315   7.520
   28    HD2  PRO   3           HD2      PRO   3  28.866   3.892   6.671
   29    HD3  PRO   3           HD3      PRO   3  30.145   2.780   6.167
   30    HA   PRO   4           HA       PRO   4  24.404   2.611   2.376
   31    HB2  PRO   4           HB2      PRO   4  24.363   1.484  -0.091
   32    HB3  PRO   4           HB3      PRO   4  25.293   2.954   0.233
   33    HG2  PRO   4           HG2      PRO   4  26.255   0.087   0.052
   34    HG3  PRO   4           HG3      PRO   4  27.003   1.557  -0.587
   35    HD2  PRO   4           HD2      PRO   4  27.796   0.337   1.787
   36    HD3  PRO   4           HD3      PRO   4  28.050   2.053   1.447
   37    H    SER   5           H        SER   5  22.498   1.649   2.736
   38    HA   SER   5           HA       SER   5  22.223  -0.880   3.821
   39    HB2  SER   5           HB2      SER   5  20.170   0.850   2.424
   40    HB3  SER   5           HB3      SER   5  19.767  -0.622   3.338
   41    HG   SER   5           HG       SER   5  19.594   1.296   4.622
   42    H    ASP   6           H        ASP   6  21.586   0.106   0.451
   43    HA   ASP   6           HA       ASP   6  20.404  -2.206  -0.485
   44    HB2  ASP   6           HB2      ASP   6  22.230  -0.272  -2.027
   45    HB3  ASP   6           HB3      ASP   6  21.317  -1.675  -2.637
   46    H    AIB   7           H        AIB   7  21.191  -4.008  -1.721
   47   HB11  AIB   7          HB11      AIB   7  24.434  -6.190  -0.176
   48   HB12  AIB   7          HB12      AIB   7  24.357  -4.456   0.214
   49   HB13  AIB   7          HB13      AIB   7  23.053  -5.546   0.741
   50   HB21  AIB   7          HB21      AIB   7  21.725  -6.709  -0.918
   51   HB22  AIB   7          HB22      AIB   7  22.577  -6.908  -2.393
   52   HB23  AIB   7          HB23      AIB   7  21.234  -5.846  -2.315
   53    H    ALA   8           H        ALA   8  22.865  -3.995  -3.701
   54    HA   ALA   8           HA       ALA   8  25.202  -5.021  -4.877
   55    HB1  ALA   8           HB1      ALA   8  24.829  -3.361  -6.655
   56    HB2  ALA   8           HB2      ALA   8  23.604  -2.570  -5.637
   57    HB3  ALA   8           HB3      ALA   8  23.339  -4.231  -6.219
   58    H    ALA   9           H        ALA   9  24.577  -1.692  -3.702
   59    HA   ALA   9           HA       ALA   9  27.194  -0.792  -4.257
   60    HB1  ALA   9           HB1      ALA   9  26.611   1.200  -2.938
   61    HB2  ALA   9           HB2      ALA   9  25.132   0.380  -2.387
   62    HB3  ALA   9           HB3      ALA   9  25.345   0.767  -4.111
   63    H    TYR  10           H        TYR  10  25.799  -2.339  -1.419
   64    HA   TYR  10           HA       TYR  10  27.732  -1.591   0.470
   65    HB2  TYR  10           HB2      TYR  10  25.532  -2.740   0.899
   66    HB3  TYR  10           HB3      TYR  10  26.328  -4.251   0.396
   67    HD1  TYR  10           HD1      TYR  10  26.842  -1.403   2.789
   68    HD2  TYR  10           HD2      TYR  10  27.309  -5.569   2.065
   69    HE1  TYR  10           HE1      TYR  10  27.709  -1.697   5.071
   70    HE2  TYR  10           HE2      TYR  10  28.177  -5.873   4.344
   71    HH   TYR  10           HH       TYR  10  27.754  -4.114   6.728
   72    H    ALA  11           H        ALA  11  27.753  -4.090  -2.004
   73    HA   ALA  11           HA       ALA  11  29.995  -5.538  -1.048
   74    HB1  ALA  11           HB1      ALA  11  30.073  -6.526  -3.302
   75    HB2  ALA  11           HB2      ALA  11  28.883  -5.325  -3.855
   76    HB3  ALA  11           HB3      ALA  11  28.426  -6.529  -2.627
   77    H    GLN  12           H        GLN  12  29.682  -3.087  -3.635
   78    HA   GLN  12           HA       GLN  12  32.415  -2.907  -4.253
   79    HB2  GLN  12           HB2      GLN  12  30.269  -1.924  -5.401
   80    HB3  GLN  12           HB3      GLN  12  30.649  -0.505  -4.396
   81    HG2  GLN  12           HG2      GLN  12  31.957  -0.051  -6.570
   82    HG3  GLN  12           HG3      GLN  12  32.869  -0.701  -5.187
   83   HE21  GLN  12          HE22      GLN  12  34.447  -1.940  -5.998
   84   HE22  GLN  12          HE21      GLN  12  34.243  -3.161  -7.209
   85    H    TRP  13           H        TRP  13  30.457  -1.348  -1.788
   86    HA   TRP  13           HA       TRP  13  32.206   0.645  -0.921
   87    HB2  TRP  13           HB2      TRP  13  29.869   0.505  -0.139
   88    HB3  TRP  13           HB3      TRP  13  30.232  -1.018   0.706
   89    HD1  TRP  13           HD1      TRP  13  31.110   2.745   0.896
   90    HE1  TRP  13           HE1      TRP  13  31.631   3.285   3.358
   91    HE3  TRP  13           HE3      TRP  13  30.853  -1.971   2.831
   92    HZ2  TRP  13           HZ2      TRP  13  31.900   1.894   5.800
   93    HZ3  TRP  13           HZ3      TRP  13  31.259  -2.289   5.238
   94    HH2  TRP  13           HH2      TRP  13  31.771  -0.393   6.692
   95    H    LEU  14           H        LEU  14  31.898  -2.747   0.125
   96    HA   LEU  14           HA       LEU  14  33.951  -2.741   2.050
   97    HB2  LEU  14           HB2      LEU  14  32.852  -4.800   0.270
   98    HB3  LEU  14           HB3      LEU  14  33.997  -5.301   1.536
   99    HG   LEU  14           HG       LEU  14  31.263  -4.044   2.011
  100   HD11  LEU  14          HD11      LEU  14  30.625  -6.242   2.888
  101   HD12  LEU  14          HD12      LEU  14  31.082  -6.326   1.170
  102   HD13  LEU  14          HD13      LEU  14  32.218  -6.883   2.422
  103   HD21  LEU  14          HD21      LEU  14  31.661  -4.567   4.375
  104   HD22  LEU  14          HD22      LEU  14  33.291  -5.156   3.967
  105   HD23  LEU  14          HD23      LEU  14  32.884  -3.438   3.747
  106    H    ALA  15           H        ALA  15  33.968  -3.432  -1.419
  107    HA   ALA  15           HA       ALA  15  36.598  -4.324  -1.693
  108    HB1  ALA  15           HB1      ALA  15  36.369  -3.728  -4.072
  109    HB2  ALA  15           HB2      ALA  15  34.882  -2.832  -3.686
  110    HB3  ALA  15           HB3      ALA  15  34.944  -4.594  -3.451
  111    H    ASP  16           H        ASP  16  35.332  -1.043  -1.488
  112    HA   ASP  16           HA       ASP  16  37.914   0.112  -2.180
  113    HB2  ASP  16           HB2      ASP  16  35.255   1.040  -2.500
  114    HB3  ASP  16           HB3      ASP  16  35.960   1.849  -1.078
  115    H    DAL  17           H        DAL  17  37.289  -1.443   0.433
  116    HA   DAL  17           HA       DAL  17  38.843   0.293   2.134
  117    HB1  DAL  17           HB1      DAL  17  38.861  -1.607   3.695
  118    HB2  DAL  17           HB2      DAL  17  39.367  -2.075   2.055
  119    HB3  DAL  17           HB3      DAL  17  37.731  -2.475   2.628
  120    H    GLY  18           H        GLY  18  35.518  -0.167   1.617
  121    HA2  GLY  18           HA2      GLY  18  33.636   0.563   2.710
  122    HA3  GLY  18           HA3      GLY  18  34.447   0.051   4.209
  123    H    TRP  19           H        TRP  19  35.133   1.563   5.597
  124    HA   TRP  19           HA       TRP  19  34.317   4.249   5.274
  125    HB2  TRP  19           HB2      TRP  19  36.066   2.869   7.333
  126    HB3  TRP  19           HB3      TRP  19  35.686   4.606   7.415
  127    HD1  TRP  19           HD1      TRP  19  34.445   1.351   8.562
  128    HE1  TRP  19           HE1      TRP  19  32.052   1.568   9.485
  129    HE3  TRP  19           HE3      TRP  19  33.300   5.996   6.760
  130    HZ2  TRP  19           HZ2      TRP  19  29.956   3.460   9.452
  131    HZ3  TRP  19           HZ3      TRP  19  31.080   6.937   7.250
  132    HH2  TRP  19           HH2      TRP  19  29.443   5.694   8.567
  133    H    ALA  20           H        ALA  20  37.350   2.605   4.665
  134    HA   ALA  20           HA       ALA  20  38.767   5.120   4.242
  135    HB1  ALA  20           HB1      ALA  20  40.741   3.698   3.856
  136    HB2  ALA  20           HB2      ALA  20  39.716   2.254   4.025
  137    HB3  ALA  20           HB3      ALA  20  39.952   3.344   5.412
  138    H    SER  21           H        SER  21  36.627   4.819   2.489
  139    HA   SER  21           HA       SER  21  37.769   3.910  -0.045
  140    HB2  SER  21           HB2      SER  21  35.554   3.085   0.347
  141    HB3  SER  21           HB3      SER  21  34.963   4.710   0.761
  142    HG   SER  21           HG       SER  21  34.483   3.947  -1.437
  Start of MODEL   22
    1    H1   ARG   1           H1       ARG   1  32.070   7.681   1.201
    2    H2   ARG   1           H2       ARG   1  31.977   8.587   2.393
    3    H3   ARG   1           H3       ARG   1  32.492   7.187   2.553
    4    HA   ARG   1           HA       ARG   1  29.770   7.974   2.858
    5    HB2  ARG   1           HB2      ARG   1  28.605   6.699   1.240
    6    HB3  ARG   1           HB3      ARG   1  29.827   7.671   0.386
    7    HG2  ARG   1           HG2      ARG   1  31.130   5.265   0.939
    8    HG3  ARG   1           HG3      ARG   1  29.479   4.769   0.495
    9    HD2  ARG   1           HD2      ARG   1  30.106   4.976  -1.648
   10    HD3  ARG   1           HD3      ARG   1  30.143   6.735  -1.378
   11    HE   ARG   1           HE       ARG   1  32.487   6.595  -1.058
   12   HH11  ARG   1          HH11      ARG   1  31.082   3.526  -2.007
   13   HH12  ARG   1          HH12      ARG   1  32.613   2.861  -2.542
   14   HH21  ARG   1          HH21      ARG   1  34.464   5.738  -1.750
   15   HH22  ARG   1          HH22      ARG   1  34.520   4.109  -2.396
   16    HA   PRO   2           HA       PRO   2  30.090   4.393   5.475
   17    HB2  PRO   2           HB2      PRO   2  27.621   4.471   6.626
   18    HB3  PRO   2           HB3      PRO   2  28.835   5.711   6.967
   19    HG2  PRO   2           HG2      PRO   2  26.401   5.862   5.223
   20    HG3  PRO   2           HG3      PRO   2  27.204   7.140   6.144
   21    HD2  PRO   2           HD2      PRO   2  27.480   6.644   3.339
   22    HD3  PRO   2           HD3      PRO   2  28.449   7.767   4.301
   23    HA   PRO   3           HA       PRO   3  28.362   0.686   3.797
   24    HB2  PRO   3           HB2      PRO   3  26.856  -0.374   5.937
   25    HB3  PRO   3           HB3      PRO   3  28.585  -0.639   5.676
   26    HG2  PRO   3           HG2      PRO   3  27.207   1.321   7.495
   27    HG3  PRO   3           HG3      PRO   3  28.710   0.422   7.742
   28    HD2  PRO   3           HD2      PRO   3  28.751   3.060   7.095
   29    HD3  PRO   3           HD3      PRO   3  29.996   1.963   6.486
   30    HA   PRO   4           HA       PRO   4  24.235   2.223   2.731
   31    HB2  PRO   4           HB2      PRO   4  24.230   1.431   0.142
   32    HB3  PRO   4           HB3      PRO   4  25.178   2.830   0.667
   33    HG2  PRO   4           HG2      PRO   4  26.096  -0.010   0.143
   34    HG3  PRO   4           HG3      PRO   4  26.870   1.514  -0.312
   35    HD2  PRO   4           HD2      PRO   4  27.631   0.013   1.903
   36    HD3  PRO   4           HD3      PRO   4  27.898   1.757   1.780
   37    H    SER   5           H        SER   5  22.318   1.228   2.916
   38    HA   SER   5           HA       SER   5  21.993  -1.442   3.577
   39    HB2  SER   5           HB2      SER   5  19.998   0.510   2.406
   40    HB3  SER   5           HB3      SER   5  19.559  -1.080   3.069
   41    HG   SER   5           HG       SER   5  19.353   0.619   4.628
   42    H    ASP   6           H        ASP   6  21.653   0.098   0.390
   43    HA   ASP   6           HA       ASP   6  20.433  -1.998  -0.966
   44    HB2  ASP   6           HB2      ASP   6  22.340   0.146  -2.056
   45    HB3  ASP   6           HB3      ASP   6  21.480  -1.133  -2.949
   46    H    AIB   7           H        AIB   7  21.092  -3.865  -1.877
   47   HB11  AIB   7          HB11      AIB   7  24.382  -6.126  -0.793
   48   HB12  AIB   7          HB12      AIB   7  24.292  -4.453  -0.193
   49   HB13  AIB   7          HB13      AIB   7  22.986  -5.603   0.177
   50   HB21  AIB   7          HB21      AIB   7  21.714  -6.576  -1.621
   51   HB22  AIB   7          HB22      AIB   7  22.561  -6.568  -3.112
   52   HB23  AIB   7          HB23      AIB   7  21.201  -5.547  -2.893
   53    H    ALA   8           H        ALA   8  22.784  -3.595  -4.094
   54    HA   ALA   8           HA       ALA   8  25.139  -4.398  -5.381
   55    HB1  ALA   8           HB1      ALA   8  24.758  -2.505  -6.907
   56    HB2  ALA   8           HB2      ALA   8  23.529  -1.869  -5.788
   57    HB3  ALA   8           HB3      ALA   8  23.269  -3.430  -6.601
   58    H    ALA   9           H        ALA   9  24.458  -1.349  -3.644
   59    HA   ALA   9           HA       ALA   9  27.014  -0.250  -4.191
   60    HB1  ALA   9           HB1      ALA   9  26.387   1.521  -2.605
   61    HB2  ALA   9           HB2      ALA   9  24.969   0.562  -2.119
   62    HB3  ALA   9           HB3      ALA   9  25.096   1.182  -3.782
   63    H    TYR  10           H        TYR  10  25.750  -2.198  -1.558
   64    HA   TYR  10           HA       TYR  10  27.719  -1.672   0.366
   65    HB2  TYR  10           HB2      TYR  10  25.634  -2.820   0.874
   66    HB3  TYR  10           HB3      TYR  10  26.155  -4.206  -0.115
   67    HD1  TYR  10           HD1      TYR  10  27.069  -2.238   2.926
   68    HD2  TYR  10           HD2      TYR  10  27.427  -5.944   0.876
   69    HE1  TYR  10           HE1      TYR  10  28.160  -3.219   4.901
   70    HE2  TYR  10           HE2      TYR  10  28.525  -6.931   2.838
   71    HH   TYR  10           HH       TYR  10  29.241  -6.604   4.910
   72    H    ALA  11           H        ALA  11  27.739  -3.780  -2.443
   73    HA   ALA  11           HA       ALA  11  30.016  -5.314  -1.680
   74    HB1  ALA  11           HB1      ALA  11  30.031  -6.082  -4.019
   75    HB2  ALA  11           HB2      ALA  11  28.804  -4.857  -4.415
   76    HB3  ALA  11           HB3      ALA  11  28.410  -6.181  -3.294
   77    H    GLN  12           H        GLN  12  29.581  -2.636  -4.008
   78    HA   GLN  12           HA       GLN  12  32.292  -2.358  -4.686
   79    HB2  GLN  12           HB2      GLN  12  30.107  -1.330  -5.700
   80    HB3  GLN  12           HB3      GLN  12  30.472   0.007  -4.583
   81    HG2  GLN  12           HG2      GLN  12  31.702   0.654  -6.770
   82    HG3  GLN  12           HG3      GLN  12  32.658  -0.008  -5.423
   83   HE21  GLN  12          HE22      GLN  12  34.335  -0.991  -6.404
   84   HE22  GLN  12          HE21      GLN  12  34.194  -2.202  -7.635
   85    H    TRP  13           H        TRP  13  30.366  -1.003  -2.066
   86    HA   TRP  13           HA       TRP  13  32.130   0.927  -1.095
   87    HB2  TRP  13           HB2      TRP  13  29.815   0.742  -0.281
   88    HB3  TRP  13           HB3      TRP  13  30.180  -0.844   0.439
   89    HD1  TRP  13           HD1      TRP  13  31.048   2.894   0.919
   90    HE1  TRP  13           HE1      TRP  13  31.614   3.228   3.408
   91    HE3  TRP  13           HE3      TRP  13  30.882  -1.975   2.456
   92    HZ2  TRP  13           HZ2      TRP  13  31.940   1.643   5.721
   93    HZ3  TRP  13           HZ3      TRP  13  31.337  -2.487   4.822
   94    HH2  TRP  13           HH2      TRP  13  31.856  -0.712   6.418
   95    H    LEU  14           H        LEU  14  31.896  -2.550  -0.340
   96    HA   LEU  14           HA       LEU  14  33.988  -2.635   1.559
   97    HB2  LEU  14           HB2      LEU  14  32.881  -4.590  -0.331
   98    HB3  LEU  14           HB3      LEU  14  34.067  -5.153   0.870
   99    HG   LEU  14           HG       LEU  14  31.317  -4.000   1.491
  100   HD11  LEU  14          HD11      LEU  14  30.763  -6.272   2.228
  101   HD12  LEU  14          HD12      LEU  14  31.182  -6.225   0.499
  102   HD13  LEU  14          HD13      LEU  14  32.362  -6.831   1.686
  103   HD21  LEU  14          HD21      LEU  14  31.780  -4.671   3.804
  104   HD22  LEU  14          HD22      LEU  14  33.416  -5.187   3.326
  105   HD23  LEU  14          HD23      LEU  14  32.960  -3.469   3.231
  106    H    ALA  15           H        ALA  15  33.916  -3.241  -1.936
  107    HA   ALA  15           HA       ALA  15  36.600  -3.942  -2.298
  108    HB1  ALA  15           HB1      ALA  15  36.246  -3.366  -4.667
  109    HB2  ALA  15           HB2      ALA  15  34.710  -2.583  -4.231
  110    HB3  ALA  15           HB3      ALA  15  34.910  -4.336  -4.004
  111    H    ASP  16           H        ASP  16  35.050  -0.790  -2.105
  112    HA   ASP  16           HA       ASP  16  37.342   0.691  -2.978
  113    HB2  ASP  16           HB2      ASP  16  34.652   1.483  -1.780
  114    HB3  ASP  16           HB3      ASP  16  36.090   2.533  -1.818
  115    H    DAL  17           H        DAL  17  36.697  -0.921  -0.093
  116    HA   DAL  17           HA       DAL  17  38.620   0.783   1.351
  117    HB1  DAL  17           HB1      DAL  17  39.284  -1.242   2.582
  118    HB2  DAL  17           HB2      DAL  17  39.526  -1.408   0.828
  119    HB3  DAL  17           HB3      DAL  17  38.133  -2.191   1.611
  120    H    GLY  18           H        GLY  18  35.417   0.386   1.275
  121    HA2  GLY  18           HA2      GLY  18  33.691   0.621   2.770
  122    HA3  GLY  18           HA3      GLY  18  34.692  -0.278   3.934
  123    H    TRP  19           H        TRP  19  35.358   0.787   5.678
  124    HA   TRP  19           HA       TRP  19  34.703   3.543   6.031
  125    HB2  TRP  19           HB2      TRP  19  36.167   1.530   7.768
  126    HB3  TRP  19           HB3      TRP  19  35.911   3.219   8.267
  127    HD1  TRP  19           HD1      TRP  19  34.386  -0.067   8.594
  128    HE1  TRP  19           HE1      TRP  19  31.934   0.122   9.354
  129    HE3  TRP  19           HE3      TRP  19  33.635   4.908   7.687
  130    HZ2  TRP  19           HZ2      TRP  19  29.945   2.117   9.544
  131    HZ3  TRP  19           HZ3      TRP  19  31.430   5.878   8.184
  132    HH2  TRP  19           HH2      TRP  19  29.624   4.510   9.094
  133    H    ALA  20           H        ALA  20  37.647   1.778   5.269
  134    HA   ALA  20           HA       ALA  20  39.255   4.212   5.479
  135    HB1  ALA  20           HB1      ALA  20  41.179   2.733   5.074
  136    HB2  ALA  20           HB2      ALA  20  40.066   1.359   4.888
  137    HB3  ALA  20           HB3      ALA  20  40.196   2.191   6.455
  138    H    SER  21           H        SER  21  37.300   4.290   3.467
  139    HA   SER  21           HA       SER  21  38.721   3.770   0.965
  140    HB2  SER  21           HB2      SER  21  36.402   2.994   1.108
  141    HB3  SER  21           HB3      SER  21  35.864   4.651   1.465
  142    HG   SER  21           HG       SER  21  36.283   5.244  -0.590
  Start of MODEL   23
    1    H1   ARG   1           H1       ARG   1  32.222   7.340   0.332
    2    H2   ARG   1           H2       ARG   1  32.138   8.407   1.383
    3    H3   ARG   1           H3       ARG   1  32.509   7.006   1.766
    4    HA   ARG   1           HA       ARG   1  29.863   8.055   1.753
    5    HB2  ARG   1           HB2      ARG   1  28.692   6.574   0.273
    6    HB3  ARG   1           HB3      ARG   1  29.957   7.450  -0.620
    7    HG2  ARG   1           HG2      ARG   1  31.368   5.268  -0.036
    8    HG3  ARG   1           HG3      ARG   1  29.747   4.537   0.055
    9    HD2  ARG   1           HD2      ARG   1  30.454   6.235  -2.319
   10    HD3  ARG   1           HD3      ARG   1  31.092   4.577  -2.221
   11    HE   ARG   1           HE       ARG   1  28.903   3.750  -2.388
   12   HH11  ARG   1          HH11      ARG   1  28.959   7.256  -2.492
   13   HH12  ARG   1          HH12      ARG   1  27.333   7.378  -3.134
   14   HH21  ARG   1          HH21      ARG   1  26.795   3.911  -3.226
   15   HH22  ARG   1          HH22      ARG   1  26.114   5.494  -3.547
   16    HA   PRO   2           HA       PRO   2  29.923   5.094   5.110
   17    HB2  PRO   2           HB2      PRO   2  27.013   5.593   5.398
   18    HB3  PRO   2           HB3      PRO   2  28.315   5.941   6.544
   19    HG2  PRO   2           HG2      PRO   2  27.006   7.901   5.186
   20    HG3  PRO   2           HG3      PRO   2  28.698   8.060   5.678
   21    HD2  PRO   2           HD2      PRO   2  27.563   7.438   2.940
   22    HD3  PRO   2           HD3      PRO   2  28.980   8.405   3.370
   23    HA   PRO   3           HA       PRO   3  28.462   1.185   3.652
   24    HB2  PRO   3           HB2      PRO   3  26.988   0.271   5.889
   25    HB3  PRO   3           HB3      PRO   3  28.722   0.033   5.636
   26    HG2  PRO   3           HG2      PRO   3  27.301   2.110   7.286
   27    HG3  PRO   3           HG3      PRO   3  28.832   1.281   7.598
   28    HD2  PRO   3           HD2      PRO   3  28.804   3.847   6.721
   29    HD3  PRO   3           HD3      PRO   3  30.061   2.730   6.175
   30    HA   PRO   4           HA       PRO   4  24.281   2.448   2.457
   31    HB2  PRO   4           HB2      PRO   4  24.308   1.407  -0.045
   32    HB3  PRO   4           HB3      PRO   4  25.194   2.889   0.341
   33    HG2  PRO   4           HG2      PRO   4  26.234   0.055   0.083
   34    HG3  PRO   4           HG3      PRO   4  26.949   1.562  -0.504
   35    HD2  PRO   4           HD2      PRO   4  27.754   0.298   1.840
   36    HD3  PRO   4           HD3      PRO   4  27.955   2.031   1.558
   37    H    SER   5           H        SER   5  22.406   1.409   2.756
   38    HA   SER   5           HA       SER   5  22.189  -1.214   3.640
   39    HB2  SER   5           HB2      SER   5  20.107   0.592   2.387
   40    HB3  SER   5           HB3      SER   5  19.730  -0.964   3.161
   41    HG   SER   5           HG       SER   5  19.507   0.826   4.611
   42    H    ASP   6           H        ASP   6  21.542   0.078   0.380
   43    HA   ASP   6           HA       ASP   6  20.500  -2.127  -0.862
   44    HB2  ASP   6           HB2      ASP   6  20.890   0.192  -1.944
   45    HB3  ASP   6           HB3      ASP   6  22.577  -0.375  -1.989
   46    H    AIB   7           H        AIB   7  21.194  -4.061  -1.575
   47   HB11  AIB   7          HB11      AIB   7  24.516  -6.201  -0.312
   48   HB12  AIB   7          HB12      AIB   7  24.410  -4.492   0.174
   49   HB13  AIB   7          HB13      AIB   7  23.117  -5.628   0.624
   50   HB21  AIB   7          HB21      AIB   7  21.826  -6.710  -1.088
   51   HB22  AIB   7          HB22      AIB   7  22.682  -6.828  -2.570
   52   HB23  AIB   7          HB23      AIB   7  21.324  -5.790  -2.444
   53    H    ALA   8           H        ALA   8  22.915  -3.920  -3.784
   54    HA   ALA   8           HA       ALA   8  25.268  -4.828  -4.996
   55    HB1  ALA   8           HB1      ALA   8  24.906  -3.049  -6.660
   56    HB2  ALA   8           HB2      ALA   8  23.678  -2.325  -5.597
   57    HB3  ALA   8           HB3      ALA   8  23.410  -3.941  -6.293
   58    H    ALA   9           H        ALA   9  24.610  -1.631  -3.533
   59    HA   ALA   9           HA       ALA   9  27.194  -0.630  -4.130
   60    HB1  ALA   9           HB1      ALA   9  26.577   1.285  -2.718
   61    HB2  ALA   9           HB2      ALA   9  25.135   0.399  -2.172
   62    HB3  ALA   9           HB3      ALA   9  25.298   0.866  -3.881
   63    H    TYR  10           H        TYR  10  25.862  -2.324  -1.360
   64    HA   TYR  10           HA       TYR  10  27.798  -1.642   0.549
   65    HB2  TYR  10           HB2      TYR  10  25.696  -2.730   1.120
   66    HB3  TYR  10           HB3      TYR  10  26.228  -4.202   0.270
   67    HD1  TYR  10           HD1      TYR  10  27.098  -1.967   3.142
   68    HD2  TYR  10           HD2      TYR  10  27.483  -5.840   1.427
   69    HE1  TYR  10           HE1      TYR  10  28.173  -2.766   5.202
   70    HE2  TYR  10           HE2      TYR  10  28.566  -6.649   3.484
   71    HH   TYR  10           HH       TYR  10  29.262  -6.134   5.524
   72    H    ALA  11           H        ALA  11  27.834  -3.997  -2.054
   73    HA   ALA  11           HA       ALA  11  30.079  -5.486  -1.145
   74    HB1  ALA  11           HB1      ALA  11  30.130  -6.421  -3.420
   75    HB2  ALA  11           HB2      ALA  11  28.931  -5.211  -3.930
   76    HB3  ALA  11           HB3      ALA  11  28.492  -6.445  -2.725
   77    H    GLN  12           H        GLN  12  29.734  -2.995  -3.692
   78    HA   GLN  12           HA       GLN  12  32.463  -2.793  -4.326
   79    HB2  GLN  12           HB2      GLN  12  30.342  -1.820  -5.479
   80    HB3  GLN  12           HB3      GLN  12  30.636  -0.424  -4.415
   81    HG2  GLN  12           HG2      GLN  12  32.986  -1.316  -6.272
   82    HG3  GLN  12           HG3      GLN  12  31.430  -0.594  -6.744
   83   HE21  GLN  12          HE22      GLN  12  34.382  -0.164  -4.822
   84   HE22  GLN  12          HE21      GLN  12  34.270   1.560  -4.692
   85    H    TRP  13           H        TRP  13  30.501  -1.231  -1.857
   86    HA   TRP  13           HA       TRP  13  32.254   0.740  -0.963
   87    HB2  TRP  13           HB2      TRP  13  29.909   0.579  -0.195
   88    HB3  TRP  13           HB3      TRP  13  30.287  -0.938   0.655
   89    HD1  TRP  13           HD1      TRP  13  31.136   2.832   0.833
   90    HE1  TRP  13           HE1      TRP  13  31.644   3.385   3.299
   91    HE3  TRP  13           HE3      TRP  13  30.906  -1.880   2.783
   92    HZ2  TRP  13           HZ2      TRP  13  31.909   2.002   5.747
   93    HZ3  TRP  13           HZ3      TRP  13  31.302  -2.187   5.193
   94    HH2  TRP  13           HH2      TRP  13  31.792  -0.284   6.643
   95    H    LEU  14           H        LEU  14  31.954  -2.664   0.047
   96    HA   LEU  14           HA       LEU  14  34.009  -2.655   1.978
   97    HB2  LEU  14           HB2      LEU  14  32.896  -4.709   0.202
   98    HB3  LEU  14           HB3      LEU  14  34.059  -5.217   1.449
   99    HG   LEU  14           HG       LEU  14  31.329  -3.969   1.964
  100   HD11  LEU  14          HD11      LEU  14  30.720  -6.171   2.850
  101   HD12  LEU  14          HD12      LEU  14  31.156  -6.252   1.127
  102   HD13  LEU  14          HD13      LEU  14  32.312  -6.799   2.365
  103   HD21  LEU  14          HD21      LEU  14  31.760  -4.484   4.323
  104   HD22  LEU  14          HD22      LEU  14  33.389  -5.063   3.896
  105   HD23  LEU  14          HD23      LEU  14  32.968  -3.348   3.677
  106    H    ALA  15           H        ALA  15  34.016  -3.355  -1.493
  107    HA   ALA  15           HA       ALA  15  36.658  -4.220  -1.769
  108    HB1  ALA  15           HB1      ALA  15  36.415  -3.645  -4.152
  109    HB2  ALA  15           HB2      ALA  15  34.917  -2.766  -3.770
  110    HB3  ALA  15           HB3      ALA  15  35.002  -4.526  -3.522
  111    H    ASP  16           H        ASP  16  35.343  -0.970  -1.539
  112    HA   ASP  16           HA       ASP  16  37.872   0.253  -2.285
  113    HB2  ASP  16           HB2      ASP  16  35.186   1.126  -2.479
  114    HB3  ASP  16           HB3      ASP  16  35.922   1.912  -1.061
  115    H    DAL  17           H        DAL  17  37.340  -1.371   0.324
  116    HA   DAL  17           HA       DAL  17  38.929   0.363   2.007
  117    HB1  DAL  17           HB1      DAL  17  39.094  -1.587   3.498
  118    HB2  DAL  17           HB2      DAL  17  39.549  -1.976   1.823
  119    HB3  DAL  17           HB3      DAL  17  37.957  -2.466   2.447
  120    H    GLY  18           H        GLY  18  35.600  -0.321   1.644
  121    HA2  GLY  18           HA2      GLY  18  33.738   0.304   2.834
  122    HA3  GLY  18           HA3      GLY  18  34.648  -0.196   4.279
  123    H    TRP  19           H        TRP  19  35.293   1.320   5.678
  124    HA   TRP  19           HA       TRP  19  34.341   3.973   5.440
  125    HB2  TRP  19           HB2      TRP  19  36.202   2.617   7.411
  126    HB3  TRP  19           HB3      TRP  19  35.782   4.342   7.539
  127    HD1  TRP  19           HD1      TRP  19  34.694   1.083   8.754
  128    HE1  TRP  19           HE1      TRP  19  32.307   1.206   9.709
  129    HE3  TRP  19           HE3      TRP  19  33.293   5.617   6.852
  130    HZ2  TRP  19           HZ2      TRP  19  30.116   2.994   9.660
  131    HZ3  TRP  19           HZ3      TRP  19  31.039   6.461   7.351
  132    HH2  TRP  19           HH2      TRP  19  29.483   5.177   8.725
  133    H    ALA  20           H        ALA  20  37.408   2.478   4.665
  134    HA   ALA  20           HA       ALA  20  38.712   5.057   4.275
  135    HB1  ALA  20           HB1      ALA  20  40.715   3.724   3.749
  136    HB2  ALA  20           HB2      ALA  20  39.750   2.238   3.906
  137    HB3  ALA  20           HB3      ALA  20  40.010   3.283   5.322
  138    H    SER  21           H        SER  21  36.495   4.705   2.609
  139    HA   SER  21           HA       SER  21  37.570   3.976  -0.013
  140    HB2  SER  21           HB2      SER  21  35.438   2.982   0.457
  141    HB3  SER  21           HB3      SER  21  34.757   4.550   0.948
  142    HG   SER  21           HG       SER  21  34.354   4.965  -1.080
  Start of MODEL   24
    1    H1   ARG   1           H1       ARG   1  32.961   7.437   1.371
    2    H2   ARG   1           H2       ARG   1  32.748   8.370   2.526
    3    H3   ARG   1           H3       ARG   1  33.043   6.921   2.777
    4    HA   ARG   1           HA       ARG   1  30.438   8.043   2.539
    5    HB2  ARG   1           HB2      ARG   1  29.512   6.547   0.773
    6    HB3  ARG   1           HB3      ARG   1  30.612   7.820   0.195
    7    HG2  ARG   1           HG2      ARG   1  32.377   6.264  -0.179
    8    HG3  ARG   1           HG3      ARG   1  31.537   4.984   0.730
    9    HD2  ARG   1           HD2      ARG   1  29.864   4.765  -0.990
   10    HD3  ARG   1           HD3      ARG   1  30.478   6.201  -1.842
   11    HE   ARG   1           HE       ARG   1  31.533   3.520  -1.951
   12   HH11  ARG   1          HH11      ARG   1  32.249   6.913  -2.429
   13   HH12  ARG   1          HH12      ARG   1  33.559   6.603  -3.551
   14   HH21  ARG   1          HH21      ARG   1  33.240   3.110  -3.403
   15   HH22  ARG   1          HH22      ARG   1  34.118   4.457  -4.101
   16    HA   PRO   2           HA       PRO   2  30.130   4.733   5.550
   17    HB2  PRO   2           HB2      PRO   2  27.237   5.452   5.637
   18    HB3  PRO   2           HB3      PRO   2  28.428   5.466   6.945
   19    HG2  PRO   2           HG2      PRO   2  27.496   7.756   5.848
   20    HG3  PRO   2           HG3      PRO   2  29.154   7.625   6.450
   21    HD2  PRO   2           HD2      PRO   2  28.159   7.568   3.589
   22    HD3  PRO   2           HD3      PRO   2  29.637   8.285   4.243
   23    HA   PRO   3           HA       PRO   3  28.563   1.146   3.511
   24    HB2  PRO   3           HB2      PRO   3  27.025  -0.033   5.552
   25    HB3  PRO   3           HB3      PRO   3  28.770  -0.238   5.351
   26    HG2  PRO   3           HG2      PRO   3  27.263   1.627   7.177
   27    HG3  PRO   3           HG3      PRO   3  28.762   0.735   7.471
   28    HD2  PRO   3           HD2      PRO   3  28.812   3.392   6.922
   29    HD3  PRO   3           HD3      PRO   3  30.093   2.328   6.327
   30    HA   PRO   4           HA       PRO   4  24.453   2.575   2.341
   31    HB2  PRO   4           HB2      PRO   4  24.423   1.544  -0.160
   32    HB3  PRO   4           HB3      PRO   4  25.428   2.945   0.236
   33    HG2  PRO   4           HG2      PRO   4  26.225   0.028   0.001
   34    HG3  PRO   4           HG3      PRO   4  27.064   1.463  -0.602
   35    HD2  PRO   4           HD2      PRO   4  27.754   0.168   1.762
   36    HD3  PRO   4           HD3      PRO   4  28.096   1.876   1.461
   37    H    SER   5           H        SER   5  22.505   1.680   2.630
   38    HA   SER   5           HA       SER   5  22.079  -0.844   3.648
   39    HB2  SER   5           HB2      SER   5  20.165   0.977   2.174
   40    HB3  SER   5           HB3      SER   5  19.661  -0.484   3.053
   41    HG   SER   5           HG       SER   5  19.504   1.429   4.347
   42    H    ASP   6           H        ASP   6  21.440   0.189   0.284
   43    HA   ASP   6           HA       ASP   6  20.315  -2.127  -0.683
   44    HB2  ASP   6           HB2      ASP   6  22.116  -0.155  -2.203
   45    HB3  ASP   6           HB3      ASP   6  21.220  -1.562  -2.828
   46    H    AIB   7           H        AIB   7  21.113  -3.901  -1.931
   47   HB11  AIB   7          HB11      AIB   7  24.360  -6.134  -0.453
   48   HB12  AIB   7          HB12      AIB   7  24.281  -4.421   0.024
   49   HB13  AIB   7          HB13      AIB   7  22.973  -5.536   0.487
   50   HB21  AIB   7          HB21      AIB   7  21.652  -6.601  -1.200
   51   HB22  AIB   7          HB22      AIB   7  22.497  -6.754  -2.685
   52   HB23  AIB   7          HB23      AIB   7  21.159  -5.690  -2.566
   53    H    ALA   8           H        ALA   8  22.804  -3.847  -3.929
   54    HA   ALA   8           HA       ALA   8  25.129  -4.850  -5.117
   55    HB1  ALA   8           HB1      ALA   8  24.808  -3.121  -6.838
   56    HB2  ALA   8           HB2      ALA   8  23.598  -2.335  -5.797
   57    HB3  ALA   8           HB3      ALA   8  23.293  -3.966  -6.440
   58    H    ALA   9           H        ALA   9  24.572  -1.544  -3.860
   59    HA   ALA   9           HA       ALA   9  27.205  -0.684  -4.370
   60    HB1  ALA   9           HB1      ALA   9  26.655   1.278  -2.994
   61    HB2  ALA   9           HB2      ALA   9  25.160   0.469  -2.472
   62    HB3  ALA   9           HB3      ALA   9  25.385   0.903  -4.183
   63    H    TYR  10           H        TYR  10  25.789  -2.325  -1.611
   64    HA   TYR  10           HA       TYR  10  27.708  -1.664   0.326
   65    HB2  TYR  10           HB2      TYR  10  25.496  -2.814   0.690
   66    HB3  TYR  10           HB3      TYR  10  26.282  -4.308   0.125
   67    HD1  TYR  10           HD1      TYR  10  26.604  -1.620   2.716
   68    HD2  TYR  10           HD2      TYR  10  27.438  -5.662   1.677
   69    HE1  TYR  10           HE1      TYR  10  27.451  -2.027   4.986
   70    HE2  TYR  10           HE2      TYR  10  28.287  -6.075   3.945
   71    HH   TYR  10           HH       TYR  10  27.669  -4.533   6.455
   72    H    ALA  11           H        ALA  11  27.741  -4.028  -2.269
   73    HA   ALA  11           HA       ALA  11  29.965  -5.538  -1.364
   74    HB1  ALA  11           HB1      ALA  11  30.047  -6.426  -3.659
   75    HB2  ALA  11           HB2      ALA  11  28.862  -5.198  -4.161
   76    HB3  ALA  11           HB3      ALA  11  28.399  -6.453  -2.988
   77    H    GLN  12           H        GLN  12  29.667  -2.922  -3.782
   78    HA   GLN  12           HA       GLN  12  32.414  -2.750  -4.395
   79    HB2  GLN  12           HB2      GLN  12  30.244  -1.685  -5.478
   80    HB3  GLN  12           HB3      GLN  12  30.708  -0.309  -4.449
   81    HG2  GLN  12           HG2      GLN  12  32.526  -1.432  -6.764
   82    HG3  GLN  12           HG3      GLN  12  31.424  -0.053  -6.535
   83   HE21  GLN  12          HE22      GLN  12  34.577  -1.379  -5.956
   84   HE22  GLN  12          HE21      GLN  12  35.250  -0.004  -5.145
   85    H    TRP  13           H        TRP  13  30.430  -1.288  -1.885
   86    HA   TRP  13           HA       TRP  13  32.174   0.655  -0.905
   87    HB2  TRP  13           HB2      TRP  13  29.838   0.482  -0.134
   88    HB3  TRP  13           HB3      TRP  13  30.191  -1.090   0.622
   89    HD1  TRP  13           HD1      TRP  13  31.102   2.648   1.031
   90    HE1  TRP  13           HE1      TRP  13  31.620   3.044   3.522
   91    HE3  TRP  13           HE3      TRP  13  30.791  -2.167   2.701
   92    HZ2  TRP  13           HZ2      TRP  13  31.865   1.516   5.882
   93    HZ3  TRP  13           HZ3      TRP  13  31.188  -2.623   5.088
   94    HH2  TRP  13           HH2      TRP  13  31.712  -0.814   6.644
   95    H    LEU  14           H        LEU  14  31.873  -2.789  -0.061
   96    HA   LEU  14           HA       LEU  14  33.912  -2.877   1.882
   97    HB2  LEU  14           HB2      LEU  14  32.814  -4.836  -0.008
   98    HB3  LEU  14           HB3      LEU  14  33.962  -5.408   1.226
   99    HG   LEU  14           HG       LEU  14  31.227  -4.181   1.771
  100   HD11  LEU  14          HD11      LEU  14  30.601  -6.419   2.544
  101   HD12  LEU  14          HD12      LEU  14  31.055  -6.420   0.824
  102   HD13  LEU  14          HD13      LEU  14  32.196  -7.030   2.046
  103   HD21  LEU  14          HD21      LEU  14  31.632  -4.812   4.108
  104   HD22  LEU  14          HD22      LEU  14  33.264  -5.373   3.670
  105   HD23  LEU  14          HD23      LEU  14  32.848  -3.648   3.530
  106    H    ALA  15           H        ALA  15  33.941  -3.373  -1.622
  107    HA   ALA  15           HA       ALA  15  36.618  -4.190  -1.889
  108    HB1  ALA  15           HB1      ALA  15  36.360  -3.600  -4.266
  109    HB2  ALA  15           HB2      ALA  15  34.827  -2.784  -3.880
  110    HB3  ALA  15           HB3      ALA  15  34.982  -4.542  -3.651
  111    H    ASP  16           H        ASP  16  35.196  -1.012  -1.533
  112    HA   ASP  16           HA       ASP  16  37.658   0.331  -2.310
  113    HB2  ASP  16           HB2      ASP  16  34.848   1.132  -2.165
  114    HB3  ASP  16           HB3      ASP  16  35.917   2.072  -1.095
  115    H    DAL  17           H        DAL  17  37.150  -1.357   0.296
  116    HA   DAL  17           HA       DAL  17  38.759   0.360   1.977
  117    HB1  DAL  17           HB1      DAL  17  38.916  -1.598   3.461
  118    HB2  DAL  17           HB2      DAL  17  39.358  -1.985   1.782
  119    HB3  DAL  17           HB3      DAL  17  37.765  -2.463   2.415
  120    H    GLY  18           H        GLY  18  35.459  -0.016   1.541
  121    HA2  GLY  18           HA2      GLY  18  33.607   0.623   2.737
  122    HA3  GLY  18           HA3      GLY  18  34.435  -0.042   4.165
  123    H    TRP  19           H        TRP  19  35.200   1.322   5.669
  124    HA   TRP  19           HA       TRP  19  34.438   4.056   5.576
  125    HB2  TRP  19           HB2      TRP  19  36.121   2.459   7.534
  126    HB3  TRP  19           HB3      TRP  19  35.767   4.189   7.759
  127    HD1  TRP  19           HD1      TRP  19  34.506   0.913   8.717
  128    HE1  TRP  19           HE1      TRP  19  32.092   1.072   9.592
  129    HE3  TRP  19           HE3      TRP  19  33.345   5.610   7.054
  130    HZ2  TRP  19           HZ2      TRP  19  29.975   2.940   9.579
  131    HZ3  TRP  19           HZ3      TRP  19  31.104   6.507   7.527
  132    HH2  TRP  19           HH2      TRP  19  29.455   5.198   8.763
  133    H    ALA  20           H        ALA  20  37.407   2.353   4.850
  134    HA   ALA  20           HA       ALA  20  38.933   4.833   4.657
  135    HB1  ALA  20           HB1      ALA  20  40.850   3.366   4.170
  136    HB2  ALA  20           HB2      ALA  20  39.765   1.957   4.209
  137    HB3  ALA  20           HB3      ALA  20  40.030   2.917   5.684
  138    H    SER  21           H        SER  21  36.801   4.765   2.871
  139    HA   SER  21           HA       SER  21  37.946   4.048   0.272
  140    HB2  SER  21           HB2      SER  21  35.710   3.216   0.635
  141    HB3  SER  21           HB3      SER  21  35.139   4.835   1.100
  142    HG   SER  21           HG       SER  21  34.588   4.750  -0.991
  Start of MODEL   25
    1    H1   ARG   1           H1       ARG   1  33.194   7.563   1.566
    2    H2   ARG   1           H2       ARG   1  32.981   8.531   2.692
    3    H3   ARG   1           H3       ARG   1  33.280   7.091   2.987
    4    HA   ARG   1           HA       ARG   1  30.671   8.199   2.730
    5    HB2  ARG   1           HB2      ARG   1  29.710   6.779   0.986
    6    HB3  ARG   1           HB3      ARG   1  30.959   7.882   0.363
    7    HG2  ARG   1           HG2      ARG   1  32.587   5.942   0.520
    8    HG3  ARG   1           HG3      ARG   1  31.184   4.896   0.846
    9    HD2  ARG   1           HD2      ARG   1  31.417   6.666  -1.609
   10    HD3  ARG   1           HD3      ARG   1  31.951   4.969  -1.572
   11    HE   ARG   1           HE       ARG   1  29.712   4.293  -1.413
   12   HH11  ARG   1          HH11      ARG   1  29.980   7.785  -1.582
   13   HH12  ARG   1          HH12      ARG   1  28.291   8.011  -1.994
   14   HH21  ARG   1          HH21      ARG   1  27.525   4.585  -1.948
   15   HH22  ARG   1          HH22      ARG   1  26.908   6.207  -2.200
   16    HA   PRO   2           HA       PRO   2  30.066   4.817   5.538
   17    HB2  PRO   2           HB2      PRO   2  27.450   5.193   6.156
   18    HB3  PRO   2           HB3      PRO   2  28.682   6.364   6.649
   19    HG2  PRO   2           HG2      PRO   2  26.740   6.494   4.334
   20    HG3  PRO   2           HG3      PRO   2  27.274   7.785   5.419
   21    HD2  PRO   2           HD2      PRO   2  28.305   7.354   2.846
   22    HD3  PRO   2           HD3      PRO   2  29.144   8.259   4.112
   23    HA   PRO   3           HA       PRO   3  28.508   1.168   3.577
   24    HB2  PRO   3           HB2      PRO   3  26.762   0.575   5.923
   25    HB3  PRO   3           HB3      PRO   3  28.082  -0.389   5.246
   26    HG2  PRO   3           HG2      PRO   3  28.283   1.032   7.586
   27    HG3  PRO   3           HG3      PRO   3  29.672   0.622   6.571
   28    HD2  PRO   3           HD2      PRO   3  28.365   3.266   6.983
   29    HD3  PRO   3           HD3      PRO   3  29.997   2.902   6.407
   30    HA   PRO   4           HA       PRO   4  24.519   2.715   2.148
   31    HB2  PRO   4           HB2      PRO   4  24.517   1.526  -0.286
   32    HB3  PRO   4           HB3      PRO   4  25.577   2.900   0.057
   33    HG2  PRO   4           HG2      PRO   4  26.237  -0.060   0.034
   34    HG3  PRO   4           HG3      PRO   4  27.158   1.291  -0.640
   35    HD2  PRO   4           HD2      PRO   4  27.750   0.129   1.808
   36    HD3  PRO   4           HD3      PRO   4  28.150   1.808   1.421
   37    H    SER   5           H        SER   5  22.437   1.888   1.951
   38    HA   SER   5           HA       SER   5  21.862  -0.536   3.262
   39    HB2  SER   5           HB2      SER   5  20.124   1.240   1.534
   40    HB3  SER   5           HB3      SER   5  19.508  -0.141   2.471
   41    HG   SER   5           HG       SER   5  19.323   1.861   3.614
   42    H    ASP   6           H        ASP   6  21.347   0.308  -0.172
   43    HA   ASP   6           HA       ASP   6  20.363  -2.017  -1.157
   44    HB2  ASP   6           HB2      ASP   6  22.402  -0.182  -2.544
   45    HB3  ASP   6           HB3      ASP   6  21.539  -1.594  -3.204
   46    H    AIB   7           H        AIB   7  21.200  -3.912  -2.133
   47   HB11  AIB   7          HB11      AIB   7  24.320  -6.099  -0.311
   48   HB12  AIB   7          HB12      AIB   7  24.276  -4.352   0.029
   49   HB13  AIB   7          HB13      AIB   7  22.923  -5.392   0.532
   50   HB21  AIB   7          HB21      AIB   7  21.646  -6.564  -1.098
   51   HB22  AIB   7          HB22      AIB   7  22.480  -6.822  -2.574
   52   HB23  AIB   7          HB23      AIB   7  21.170  -5.718  -2.511
   53    H    ALA   8           H        ALA   8  22.981  -4.071  -4.009
   54    HA   ALA   8           HA       ALA   8  25.358  -5.181  -4.989
   55    HB1  ALA   8           HB1      ALA   8  25.149  -3.576  -6.843
   56    HB2  ALA   8           HB2      ALA   8  23.895  -2.707  -5.929
   57    HB3  ALA   8           HB3      ALA   8  23.605  -4.377  -6.469
   58    H    ALA   9           H        ALA   9  24.744  -1.853  -3.825
   59    HA   ALA   9           HA       ALA   9  27.377  -0.956  -4.343
   60    HB1  ALA   9           HB1      ALA   9  26.770   1.032  -3.032
   61    HB2  ALA   9           HB2      ALA   9  25.281   0.213  -2.509
   62    HB3  ALA   9           HB3      ALA   9  25.523   0.606  -4.228
   63    H    TYR  10           H        TYR  10  25.912  -2.539  -1.585
   64    HA   TYR  10           HA       TYR  10  27.743  -1.814   0.405
   65    HB2  TYR  10           HB2      TYR  10  25.613  -2.895   0.880
   66    HB3  TYR  10           HB3      TYR  10  26.190  -4.382   0.088
   67    HD1  TYR  10           HD1      TYR  10  26.884  -2.108   2.969
   68    HD2  TYR  10           HD2      TYR  10  27.360  -6.009   1.344
   69    HE1  TYR  10           HE1      TYR  10  27.813  -2.880   5.111
   70    HE2  TYR  10           HE2      TYR  10  28.294  -6.790   3.478
   71    HH   TYR  10           HH       TYR  10  28.651  -4.592   6.247
   72    H    ALA  11           H        ALA  11  27.935  -4.227  -2.140
   73    HA   ALA  11           HA       ALA  11  30.149  -5.670  -1.090
   74    HB1  ALA  11           HB1      ALA  11  30.318  -6.653  -3.341
   75    HB2  ALA  11           HB2      ALA  11  29.128  -5.471  -3.932
   76    HB3  ALA  11           HB3      ALA  11  28.651  -6.684  -2.721
   77    H    GLN  12           H        GLN  12  29.894  -3.235  -3.702
   78    HA   GLN  12           HA       GLN  12  32.648  -3.012  -4.203
   79    HB2  GLN  12           HB2      GLN  12  30.528  -2.086  -5.451
   80    HB3  GLN  12           HB3      GLN  12  30.856  -0.643  -4.463
   81    HG2  GLN  12           HG2      GLN  12  32.253  -0.199  -6.572
   82    HG3  GLN  12           HG3      GLN  12  33.119  -0.870  -5.171
   83   HE21  GLN  12          HE22      GLN  12  34.706  -2.112  -5.962
   84   HE22  GLN  12          HE21      GLN  12  34.515  -3.329  -7.180
   85    H    TRP  13           H        TRP  13  30.556  -1.487  -1.833
   86    HA   TRP  13           HA       TRP  13  32.215   0.570  -0.930
   87    HB2  TRP  13           HB2      TRP  13  29.852   0.360  -0.232
   88    HB3  TRP  13           HB3      TRP  13  30.242  -1.130   0.659
   89    HD1  TRP  13           HD1      TRP  13  30.865   2.671   0.810
   90    HE1  TRP  13           HE1      TRP  13  31.338   3.282   3.266
   91    HE3  TRP  13           HE3      TRP  13  30.991  -2.024   2.797
   92    HZ2  TRP  13           HZ2      TRP  13  31.710   1.943   5.726
   93    HZ3  TRP  13           HZ3      TRP  13  31.417  -2.283   5.207
   94    HH2  TRP  13           HH2      TRP  13  31.771  -0.338   6.640
   95    H    LEU  14           H        LEU  14  31.998  -2.833   0.092
   96    HA   LEU  14           HA       LEU  14  33.977  -2.742   2.101
   97    HB2  LEU  14           HB2      LEU  14  33.009  -4.846   0.298
   98    HB3  LEU  14           HB3      LEU  14  34.135  -5.301   1.598
   99    HG   LEU  14           HG       LEU  14  31.345  -4.140   1.997
  100   HD11  LEU  14          HD11      LEU  14  30.759  -6.362   2.849
  101   HD12  LEU  14          HD12      LEU  14  31.267  -6.426   1.145
  102   HD13  LEU  14          HD13      LEU  14  32.385  -6.947   2.427
  103   HD21  LEU  14          HD21      LEU  14  31.699  -4.659   4.370
  104   HD22  LEU  14          HD22      LEU  14  33.358  -5.193   4.004
  105   HD23  LEU  14          HD23      LEU  14  32.902  -3.488   3.777
  106    H    ALA  15           H        ALA  15  34.119  -3.489  -1.357
  107    HA   ALA  15           HA       ALA  15  36.810  -4.233  -1.532
  108    HB1  ALA  15           HB1      ALA  15  36.601  -3.742  -3.936
  109    HB2  ALA  15           HB2      ALA  15  35.050  -2.931  -3.619
  110    HB3  ALA  15           HB3      ALA  15  35.220  -4.676  -3.316
  111    H    ASP  16           H        ASP  16  35.330  -1.055  -1.379
  112    HA   ASP  16           HA       ASP  16  37.800   0.284  -2.135
  113    HB2  ASP  16           HB2      ASP  16  35.068   1.015  -2.361
  114    HB3  ASP  16           HB3      ASP  16  35.765   1.875  -0.966
  115    H    DAL  17           H        DAL  17  37.362  -1.321   0.487
  116    HA   DAL  17           HA       DAL  17  38.838   0.513   2.154
  117    HB1  DAL  17           HB1      DAL  17  39.047  -1.392   3.696
  118    HB2  DAL  17           HB2      DAL  17  39.535  -1.810   2.038
  119    HB3  DAL  17           HB3      DAL  17  37.951  -2.334   2.658
  120    H    GLY  18           H        GLY  18  35.536  -0.364   1.801
  121    HA2  GLY  18           HA2      GLY  18  33.637   0.228   2.952
  122    HA3  GLY  18           HA3      GLY  18  34.564  -0.158   4.421
  123    H    TRP  19           H        TRP  19  35.126   1.454   5.750
  124    HA   TRP  19           HA       TRP  19  34.029   4.034   5.390
  125    HB2  TRP  19           HB2      TRP  19  35.839   2.781   7.444
  126    HB3  TRP  19           HB3      TRP  19  35.601   4.545   7.445
  127    HD1  TRP  19           HD1      TRP  19  34.101   1.429   8.731
  128    HE1  TRP  19           HE1      TRP  19  31.771   1.900   9.720
  129    HE3  TRP  19           HE3      TRP  19  33.370   6.135   6.877
  130    HZ2  TRP  19           HZ2      TRP  19  29.874   3.993   9.713
  131    HZ3  TRP  19           HZ3      TRP  19  31.274   7.304   7.414
  132    HH2  TRP  19           HH2      TRP  19  29.562   6.253   8.802
  133    H    ALA  20           H        ALA  20  37.166   2.691   4.645
  134    HA   ALA  20           HA       ALA  20  38.330   5.320   4.168
  135    HB1  ALA  20           HB1      ALA  20  40.385   4.074   3.627
  136    HB2  ALA  20           HB2      ALA  20  39.497   2.548   3.834
  137    HB3  ALA  20           HB3      ALA  20  39.733   3.633   5.223
  138    H    SER  21           H        SER  21  36.090   4.791   2.558
  139    HA   SER  21           HA       SER  21  37.168   4.105  -0.076
  140    HB2  SER  21           HB2      SER  21  35.131   2.945   0.491
  141    HB3  SER  21           HB3      SER  21  34.328   4.475   0.914
  142    HG   SER  21           HG       SER  21  33.827   3.637  -1.234
  Start of MODEL   26
    1    H1   ARG   1           H1       ARG   1  32.534   7.660   1.163
    2    H2   ARG   1           H2       ARG   1  32.303   8.580   2.325
    3    H3   ARG   1           H3       ARG   1  32.723   7.160   2.565
    4    HA   ARG   1           HA       ARG   1  30.030   8.075   2.453
    5    HB2  ARG   1           HB2      ARG   1  29.116   6.567   0.725
    6    HB3  ARG   1           HB3      ARG   1  30.170   7.850   0.086
    7    HG2  ARG   1           HG2      ARG   1  31.994   6.277  -0.206
    8    HG3  ARG   1           HG3      ARG   1  31.052   4.985   0.578
    9    HD2  ARG   1           HD2      ARG   1  29.446   4.980  -1.238
   10    HD3  ARG   1           HD3      ARG   1  30.223   6.396  -1.983
   11    HE   ARG   1           HE       ARG   1  32.045   5.014  -2.614
   12   HH11  ARG   1          HH11      ARG   1  29.405   3.210  -1.171
   13   HH12  ARG   1          HH12      ARG   1  29.931   1.680  -1.845
   14   HH21  ARG   1          HH21      ARG   1  32.724   3.030  -3.486
   15   HH22  ARG   1          HH22      ARG   1  31.800   1.579  -3.149
   16    HA   PRO   2           HA       PRO   2  30.140   4.748   5.466
   17    HB2  PRO   2           HB2      PRO   2  27.226   5.268   5.771
   18    HB3  PRO   2           HB3      PRO   2  28.510   5.391   6.981
   19    HG2  PRO   2           HG2      PRO   2  27.316   7.587   5.930
   20    HG3  PRO   2           HG3      PRO   2  29.013   7.596   6.427
   21    HD2  PRO   2           HD2      PRO   2  27.850   7.427   3.635
   22    HD3  PRO   2           HD3      PRO   2  29.306   8.263   4.190
   23    HA   PRO   3           HA       PRO   3  28.620   1.084   3.534
   24    HB2  PRO   3           HB2      PRO   3  27.300  -0.200   5.652
   25    HB3  PRO   3           HB3      PRO   3  29.043  -0.276   5.357
   26    HG2  PRO   3           HG2      PRO   3  27.504   1.477   7.267
   27    HG3  PRO   3           HG3      PRO   3  29.070   0.684   7.484
   28    HD2  PRO   3           HD2      PRO   3  28.916   3.342   6.937
   29    HD3  PRO   3           HD3      PRO   3  30.237   2.364   6.285
   30    HA   PRO   4           HA       PRO   4  24.370   2.337   2.667
   31    HB2  PRO   4           HB2      PRO   4  24.266   1.402   0.116
   32    HB3  PRO   4           HB3      PRO   4  25.143   2.883   0.522
   33    HG2  PRO   4           HG2      PRO   4  26.217   0.097   0.048
   34    HG3  PRO   4           HG3      PRO   4  26.890   1.654  -0.451
   35    HD2  PRO   4           HD2      PRO   4  27.766   0.215   1.782
   36    HD3  PRO   4           HD3      PRO   4  27.998   1.956   1.581
   37    H    SER   5           H        SER   5  22.525   1.281   3.059
   38    HA   SER   5           HA       SER   5  22.381  -1.335   3.936
   39    HB2  SER   5           HB2      SER   5  20.208   0.435   2.795
   40    HB3  SER   5           HB3      SER   5  19.896  -1.119   3.601
   41    HG   SER   5           HG       SER   5  19.736   0.680   5.048
   42    H    ASP   6           H        ASP   6  21.473  -0.104   0.710
   43    HA   ASP   6           HA       ASP   6  20.380  -2.370  -0.391
   44    HB2  ASP   6           HB2      ASP   6  22.091  -0.250  -1.815
   45    HB3  ASP   6           HB3      ASP   6  21.211  -1.630  -2.516
   46    H    AIB   7           H        AIB   7  21.183  -4.050  -1.766
   47   HB11  AIB   7          HB11      AIB   7  24.523  -6.251  -0.514
   48   HB12  AIB   7          HB12      AIB   7  24.399  -4.570   0.055
   49   HB13  AIB   7          HB13      AIB   7  23.138  -5.750   0.483
   50   HB21  AIB   7          HB21      AIB   7  21.807  -6.754  -1.195
   51   HB22  AIB   7          HB22      AIB   7  22.670  -6.856  -2.674
   52   HB23  AIB   7          HB23      AIB   7  21.299  -5.834  -2.550
   53    H    ALA   8           H        ALA   8  22.768  -3.814  -3.795
   54    HA   ALA   8           HA       ALA   8  25.057  -4.721  -5.154
   55    HB1  ALA   8           HB1      ALA   8  24.558  -2.969  -6.807
   56    HB2  ALA   8           HB2      ALA   8  23.372  -2.268  -5.681
   57    HB3  ALA   8           HB3      ALA   8  23.111  -3.897  -6.346
   58    H    ALA   9           H        ALA   9  24.434  -1.462  -3.787
   59    HA   ALA   9           HA       ALA   9  27.017  -0.503  -4.396
   60    HB1  ALA   9           HB1      ALA   9  26.465   1.417  -2.963
   61    HB2  ALA   9           HB2      ALA   9  25.016   0.554  -2.396
   62    HB3  ALA   9           HB3      ALA   9  25.158   1.025  -4.106
   63    H    TYR  10           H        TYR  10  25.749  -2.198  -1.585
   64    HA   TYR  10           HA       TYR  10  27.754  -1.535   0.260
   65    HB2  TYR  10           HB2      TYR  10  25.632  -2.672   0.816
   66    HB3  TYR  10           HB3      TYR  10  26.267  -4.148   0.048
   67    HD1  TYR  10           HD1      TYR  10  26.672  -1.842   2.925
   68    HD2  TYR  10           HD2      TYR  10  27.858  -5.546   1.202
   69    HE1  TYR  10           HE1      TYR  10  27.744  -2.478   5.044
   70    HE2  TYR  10           HE2      TYR  10  28.935  -6.190   3.319
   71    HH   TYR  10           HH       TYR  10  29.888  -4.349   5.532
   72    H    ALA  11           H        ALA  11  27.695  -3.878  -2.357
   73    HA   ALA  11           HA       ALA  11  30.002  -5.345  -1.626
   74    HB1  ALA  11           HB1      ALA  11  30.013  -6.122  -3.963
   75    HB2  ALA  11           HB2      ALA  11  28.782  -4.901  -4.361
   76    HB3  ALA  11           HB3      ALA  11  28.393  -6.222  -3.234
   77    H    GLN  12           H        GLN  12  29.541  -2.673  -3.959
   78    HA   GLN  12           HA       GLN  12  32.244  -2.371  -4.660
   79    HB2  GLN  12           HB2      GLN  12  30.051  -1.346  -5.646
   80    HB3  GLN  12           HB3      GLN  12  30.404  -0.022  -4.510
   81    HG2  GLN  12           HG2      GLN  12  31.599   0.654  -6.717
   82    HG3  GLN  12           HG3      GLN  12  32.566   0.045  -5.353
   83   HE21  GLN  12          HE22      GLN  12  34.293  -0.875  -6.314
   84   HE22  GLN  12          HE21      GLN  12  34.213  -2.105  -7.532
   85    H    TRP  13           H        TRP  13  30.344  -1.081  -1.999
   86    HA   TRP  13           HA       TRP  13  32.080   0.862  -1.009
   87    HB2  TRP  13           HB2      TRP  13  29.768   0.560  -0.171
   88    HB3  TRP  13           HB3      TRP  13  30.232  -1.001   0.546
   89    HD1  TRP  13           HD1      TRP  13  30.928   2.774   0.984
   90    HE1  TRP  13           HE1      TRP  13  31.545   3.159   3.455
   91    HE3  TRP  13           HE3      TRP  13  31.024  -2.079   2.552
   92    HZ2  TRP  13           HZ2      TRP  13  32.011   1.602   5.768
   93    HZ3  TRP  13           HZ3      TRP  13  31.566  -2.557   4.905
   94    HH2  TRP  13           HH2      TRP  13  32.049  -0.751   6.480
   95    H    LEU  14           H        LEU  14  31.897  -2.620  -0.279
   96    HA   LEU  14           HA       LEU  14  34.025  -2.729   1.563
   97    HB2  LEU  14           HB2      LEU  14  32.903  -4.653  -0.349
   98    HB3  LEU  14           HB3      LEU  14  34.107  -5.231   0.825
   99    HG   LEU  14           HG       LEU  14  31.371  -4.084   1.519
  100   HD11  LEU  14          HD11      LEU  14  30.799  -6.370   2.194
  101   HD12  LEU  14          HD12      LEU  14  31.189  -6.273   0.460
  102   HD13  LEU  14          HD13      LEU  14  32.381  -6.933   1.605
  103   HD21  LEU  14          HD21      LEU  14  31.869  -4.835   3.801
  104   HD22  LEU  14          HD22      LEU  14  33.490  -5.351   3.275
  105   HD23  LEU  14          HD23      LEU  14  33.051  -3.627   3.243
  106    H    ALA  15           H        ALA  15  33.909  -3.106  -1.953
  107    HA   ALA  15           HA       ALA  15  36.558  -3.884  -2.400
  108    HB1  ALA  15           HB1      ALA  15  36.207  -3.124  -4.715
  109    HB2  ALA  15           HB2      ALA  15  34.704  -2.321  -4.205
  110    HB3  ALA  15           HB3      ALA  15  34.843  -4.092  -4.107
  111    H    ASP  16           H        ASP  16  35.169  -0.689  -1.891
  112    HA   ASP  16           HA       ASP  16  37.630   0.657  -2.632
  113    HB2  ASP  16           HB2      ASP  16  34.886   1.475  -2.505
  114    HB3  ASP  16           HB3      ASP  16  35.806   2.221  -1.176
  115    H    DAL  17           H        DAL  17  37.034  -1.138  -0.045
  116    HA   DAL  17           HA       DAL  17  38.724   0.508   1.678
  117    HB1  DAL  17           HB1      DAL  17  39.103  -1.566   2.947
  118    HB2  DAL  17           HB2      DAL  17  39.500  -1.746   1.223
  119    HB3  DAL  17           HB3      DAL  17  37.981  -2.418   1.860
  120    H    GLY  18           H        GLY  18  35.498   0.242   1.290
  121    HA2  GLY  18           HA2      GLY  18  33.654   0.599   2.615
  122    HA3  GLY  18           HA3      GLY  18  34.512  -0.291   3.894
  123    H    TRP  19           H        TRP  19  35.266   0.808   5.602
  124    HA   TRP  19           HA       TRP  19  34.551   3.545   5.930
  125    HB2  TRP  19           HB2      TRP  19  36.120   1.599   7.651
  126    HB3  TRP  19           HB3      TRP  19  35.841   3.289   8.134
  127    HD1  TRP  19           HD1      TRP  19  34.402  -0.027   8.549
  128    HE1  TRP  19           HE1      TRP  19  31.973   0.118   9.387
  129    HE3  TRP  19           HE3      TRP  19  33.510   4.918   7.607
  130    HZ2  TRP  19           HZ2      TRP  19  29.947   2.070   9.620
  131    HZ3  TRP  19           HZ3      TRP  19  31.302   5.846   8.165
  132    HH2  TRP  19           HH2      TRP  19  29.557   4.450   9.149
  133    H    ALA  20           H        ALA  20  37.485   1.884   4.998
  134    HA   ALA  20           HA       ALA  20  39.075   4.327   5.221
  135    HB1  ALA  20           HB1      ALA  20  40.982   2.894   4.614
  136    HB2  ALA  20           HB2      ALA  20  39.870   1.518   4.425
  137    HB3  ALA  20           HB3      ALA  20  40.094   2.268   6.023
  138    H    SER  21           H        SER  21  37.000   4.511   3.354
  139    HA   SER  21           HA       SER  21  38.279   4.167   0.740
  140    HB2  SER  21           HB2      SER  21  36.050   3.253   0.857
  141    HB3  SER  21           HB3      SER  21  35.416   4.774   1.526
  142    HG   SER  21           HG       SER  21  36.577   4.477  -1.063
  Start of MODEL   27
    1    H1   ARG   1           H1       ARG   1  32.622   7.404   0.683
    2    H2   ARG   1           H2       ARG   1  32.493   8.457   1.742
    3    H3   ARG   1           H3       ARG   1  32.798   7.040   2.127
    4    HA   ARG   1           HA       ARG   1  30.187   8.162   1.947
    5    HB2  ARG   1           HB2      ARG   1  29.091   6.697   0.370
    6    HB3  ARG   1           HB3      ARG   1  30.397   7.614  -0.416
    7    HG2  ARG   1           HG2      ARG   1  31.455   5.121   0.546
    8    HG3  ARG   1           HG3      ARG   1  29.979   4.792  -0.393
    9    HD2  ARG   1           HD2      ARG   1  31.893   6.744  -1.567
   10    HD3  ARG   1           HD3      ARG   1  32.428   5.049  -1.507
   11    HE   ARG   1           HE       ARG   1  30.681   4.471  -2.965
   12   HH11  ARG   1          HH11      ARG   1  30.710   7.914  -2.296
   13   HH12  ARG   1          HH12      ARG   1  29.689   8.305  -3.666
   14   HH21  ARG   1          HH21      ARG   1  29.362   4.980  -4.740
   15   HH22  ARG   1          HH22      ARG   1  28.930   6.652  -5.042
   16    HA   PRO   2           HA       PRO   2  29.930   5.138   5.233
   17    HB2  PRO   2           HB2      PRO   2  27.024   5.701   5.361
   18    HB3  PRO   2           HB3      PRO   2  28.267   6.021   6.578
   19    HG2  PRO   2           HG2      PRO   2  27.068   8.009   5.155
   20    HG3  PRO   2           HG3      PRO   2  28.729   8.138   5.748
   21    HD2  PRO   2           HD2      PRO   2  27.751   7.537   2.946
   22    HD3  PRO   2           HD3      PRO   2  29.147   8.492   3.461
   23    HA   PRO   3           HA       PRO   3  28.499   1.309   3.558
   24    HB2  PRO   3           HB2      PRO   3  27.048   0.278   5.749
   25    HB3  PRO   3           HB3      PRO   3  28.789   0.090   5.499
   26    HG2  PRO   3           HG2      PRO   3  27.309   2.074   7.214
   27    HG3  PRO   3           HG3      PRO   3  28.845   1.252   7.517
   28    HD2  PRO   3           HD2      PRO   3  28.796   3.849   6.740
   29    HD3  PRO   3           HD3      PRO   3  30.076   2.769   6.171
   30    HA   PRO   4           HA       PRO   4  24.315   2.555   2.396
   31    HB2  PRO   4           HB2      PRO   4  24.314   1.441  -0.081
   32    HB3  PRO   4           HB3      PRO   4  25.203   2.932   0.260
   33    HG2  PRO   4           HG2      PRO   4  26.239   0.098   0.044
   34    HG3  PRO   4           HG3      PRO   4  26.964   1.600  -0.543
   35    HD2  PRO   4           HD2      PRO   4  27.713   0.327   1.833
   36    HD3  PRO   4           HD3      PRO   4  27.984   2.044   1.511
   37    H    SER   5           H        SER   5  22.426   1.552   2.745
   38    HA   SER   5           HA       SER   5  22.220  -1.004   3.801
   39    HB2  SER   5           HB2      SER   5  20.112   0.714   2.473
   40    HB3  SER   5           HB3      SER   5  19.751  -0.782   3.365
   41    HG   SER   5           HG       SER   5  19.561   1.108   4.685
   42    H    ASP   6           H        ASP   6  21.446   0.034   0.474
   43    HA   ASP   6           HA       ASP   6  20.373  -2.272  -0.546
   44    HB2  ASP   6           HB2      ASP   6  22.216  -0.286  -1.998
   45    HB3  ASP   6           HB3      ASP   6  21.339  -1.687  -2.662
   46    H    AIB   7           H        AIB   7  21.204  -4.051  -1.769
   47   HB11  AIB   7          HB11      AIB   7  24.453  -6.249  -0.235
   48   HB12  AIB   7          HB12      AIB   7  24.368  -4.528   0.212
   49   HB13  AIB   7          HB13      AIB   7  23.067  -5.640   0.698
   50   HB21  AIB   7          HB21      AIB   7  21.737  -6.724  -0.933
   51   HB22  AIB   7          HB22      AIB   7  22.586  -6.934  -2.409
   52   HB23  AIB   7          HB23      AIB   7  21.249  -5.863  -2.333
   53    H    ALA   8           H        ALA   8  22.877  -3.989  -3.713
   54    HA   ALA   8           HA       ALA   8  25.184  -5.060  -4.912
   55    HB1  ALA   8           HB1      ALA   8  24.807  -3.413  -6.702
   56    HB2  ALA   8           HB2      ALA   8  23.603  -2.599  -5.677
   57    HB3  ALA   8           HB3      ALA   8  23.314  -4.262  -6.239
   58    H    ALA   9           H        ALA   9  24.617  -1.709  -3.763
   59    HA   ALA   9           HA       ALA   9  27.256  -0.871  -4.345
   60    HB1  ALA   9           HB1      ALA   9  26.705   1.166  -3.082
   61    HB2  ALA   9           HB2      ALA   9  25.205   0.392  -2.521
   62    HB3  ALA   9           HB3      ALA   9  25.437   0.728  -4.252
   63    H    TYR  10           H        TYR  10  25.812  -2.310  -1.471
   64    HA   TYR  10           HA       TYR  10  27.756  -1.566   0.405
   65    HB2  TYR  10           HB2      TYR  10  25.575  -2.626   0.930
   66    HB3  TYR  10           HB3      TYR  10  26.237  -4.167   0.333
   67    HD1  TYR  10           HD1      TYR  10  26.483  -1.624   3.017
   68    HD2  TYR  10           HD2      TYR  10  27.772  -5.454   1.688
   69    HE1  TYR  10           HE1      TYR  10  27.428  -2.072   5.241
   70    HE2  TYR  10           HE2      TYR  10  28.725  -5.910   3.909
   71    HH   TYR  10           HH       TYR  10  27.991  -4.641   6.524
   72    H    ALA  11           H        ALA  11  27.757  -4.083  -2.046
   73    HA   ALA  11           HA       ALA  11  29.989  -5.544  -1.086
   74    HB1  ALA  11           HB1      ALA  11  30.073  -6.524  -3.344
   75    HB2  ALA  11           HB2      ALA  11  28.888  -5.317  -3.896
   76    HB3  ALA  11           HB3      ALA  11  28.424  -6.524  -2.674
   77    H    GLN  12           H        GLN  12  29.698  -3.086  -3.670
   78    HA   GLN  12           HA       GLN  12  32.441  -2.917  -4.263
   79    HB2  GLN  12           HB2      GLN  12  30.322  -1.954  -5.453
   80    HB3  GLN  12           HB3      GLN  12  30.677  -0.525  -4.454
   81    HG2  GLN  12           HG2      GLN  12  31.907  -0.504  -6.917
   82    HG3  GLN  12           HG3      GLN  12  32.589  -0.187  -5.304
   83   HE21  GLN  12          HE22      GLN  12  32.031  -2.932  -7.556
   84   HE22  GLN  12          HE21      GLN  12  33.584  -3.661  -7.314
   85    H    TRP  13           H        TRP  13  30.458  -1.327  -1.838
   86    HA   TRP  13           HA       TRP  13  32.204   0.669  -0.973
   87    HB2  TRP  13           HB2      TRP  13  29.865   0.535  -0.196
   88    HB3  TRP  13           HB3      TRP  13  30.226  -0.984   0.657
   89    HD1  TRP  13           HD1      TRP  13  31.104   2.780   0.834
   90    HE1  TRP  13           HE1      TRP  13  31.619   3.327   3.297
   91    HE3  TRP  13           HE3      TRP  13  30.845  -1.931   2.786
   92    HZ2  TRP  13           HZ2      TRP  13  31.876   1.946   5.746
   93    HZ3  TRP  13           HZ3      TRP  13  31.243  -2.240   5.196
   94    HH2  TRP  13           HH2      TRP  13  31.748  -0.337   6.644
   95    H    LEU  14           H        LEU  14  31.901  -2.722   0.071
   96    HA   LEU  14           HA       LEU  14  33.948  -2.706   2.009
   97    HB2  LEU  14           HB2      LEU  14  32.851  -4.773   0.238
   98    HB3  LEU  14           HB3      LEU  14  33.993  -5.267   1.509
   99    HG   LEU  14           HG       LEU  14  31.258  -4.010   1.972
  100   HD11  LEU  14          HD11      LEU  14  30.619  -6.203   2.856
  101   HD12  LEU  14          HD12      LEU  14  31.079  -6.294   1.140
  102   HD13  LEU  14          HD13      LEU  14  32.212  -6.846   2.396
  103   HD21  LEU  14          HD21      LEU  14  31.650  -4.524   4.339
  104   HD22  LEU  14          HD22      LEU  14  33.282  -5.113   3.938
  105   HD23  LEU  14          HD23      LEU  14  32.874  -3.396   3.710
  106    H    ALA  15           H        ALA  15  33.962  -3.453  -1.454
  107    HA   ALA  15           HA       ALA  15  36.608  -4.314  -1.707
  108    HB1  ALA  15           HB1      ALA  15  36.368  -3.789  -4.101
  109    HB2  ALA  15           HB2      ALA  15  34.866  -2.908  -3.740
  110    HB3  ALA  15           HB3      ALA  15  34.958  -4.662  -3.456
  111    H    ASP  16           H        ASP  16  35.290  -1.063  -1.515
  112    HA   ASP  16           HA       ASP  16  37.827   0.140  -2.286
  113    HB2  ASP  16           HB2      ASP  16  35.112   1.016  -2.479
  114    HB3  ASP  16           HB3      ASP  16  35.932   1.892  -1.162
  115    H    DAL  17           H        DAL  17  37.265  -1.402   0.358
  116    HA   DAL  17           HA       DAL  17  38.831   0.378   2.009
  117    HB1  DAL  17           HB1      DAL  17  38.949  -1.522   3.569
  118    HB2  DAL  17           HB2      DAL  17  39.428  -1.970   1.915
  119    HB3  DAL  17           HB3      DAL  17  37.821  -2.424   2.529
  120    H    GLY  18           H        GLY  18  35.523  -0.068   1.546
  121    HA2  GLY  18           HA2      GLY  18  33.655   0.631   2.683
  122    HA3  GLY  18           HA3      GLY  18  34.469   0.039   4.150
  123    H    TRP  19           H        TRP  19  35.217   1.479   5.598
  124    HA   TRP  19           HA       TRP  19  34.432   4.197   5.378
  125    HB2  TRP  19           HB2      TRP  19  36.120   2.702   7.408
  126    HB3  TRP  19           HB3      TRP  19  35.782   4.443   7.548
  127    HD1  TRP  19           HD1      TRP  19  34.496   1.232   8.673
  128    HE1  TRP  19           HE1      TRP  19  32.085   1.454   9.542
  129    HE3  TRP  19           HE3      TRP  19  33.366   5.845   6.775
  130    HZ2  TRP  19           HZ2      TRP  19  29.982   3.333   9.438
  131    HZ3  TRP  19           HZ3      TRP  19  31.132   6.781   7.205
  132    HH2  TRP  19           HH2      TRP  19  29.475   5.549   8.509
  133    H    ALA  20           H        ALA  20  37.415   2.496   4.719
  134    HA   ALA  20           HA       ALA  20  38.922   4.977   4.421
  135    HB1  ALA  20           HB1      ALA  20  40.847   3.506   3.984
  136    HB2  ALA  20           HB2      ALA  20  39.772   2.092   4.081
  137    HB3  ALA  20           HB3      ALA  20  40.036   3.109   5.517
  138    H    SER  21           H        SER  21  36.789   4.836   2.652
  139    HA   SER  21           HA       SER  21  37.908   4.002   0.081
  140    HB2  SER  21           HB2      SER  21  35.684   3.207   0.399
  141    HB3  SER  21           HB3      SER  21  35.122   4.804   0.945
  142    HG   SER  21           HG       SER  21  36.145   4.324  -1.669
  Start of MODEL   28
    1    H1   ARG   1           H1       ARG   1  32.779   7.316   0.580
    2    H2   ARG   1           H2       ARG   1  32.676   8.375   1.637
    3    H3   ARG   1           H3       ARG   1  32.966   6.956   2.024
    4    HA   ARG   1           HA       ARG   1  30.370   8.112   1.869
    5    HB2  ARG   1           HB2      ARG   1  29.235   6.671   0.308
    6    HB3  ARG   1           HB3      ARG   1  30.557   7.547  -0.497
    7    HG2  ARG   1           HG2      ARG   1  31.789   5.209   0.288
    8    HG3  ARG   1           HG3      ARG   1  30.149   4.651  -0.122
    9    HD2  ARG   1           HD2      ARG   1  31.797   6.406  -1.961
   10    HD3  ARG   1           HD3      ARG   1  31.859   4.629  -2.014
   11    HE   ARG   1           HE       ARG   1  29.617   4.606  -2.764
   12   HH11  ARG   1          HH11      ARG   1  30.884   7.862  -2.445
   13   HH12  ARG   1          HH12      ARG   1  29.653   8.566  -3.475
   14   HH21  ARG   1          HH21      ARG   1  28.027   5.520  -4.103
   15   HH22  ARG   1          HH22      ARG   1  28.044   7.245  -4.409
   16    HA   PRO   2           HA       PRO   2  30.103   5.111   5.176
   17    HB2  PRO   2           HB2      PRO   2  27.204   5.715   5.315
   18    HB3  PRO   2           HB3      PRO   2  28.458   6.023   6.524
   19    HG2  PRO   2           HG2      PRO   2  27.280   8.021   5.101
   20    HG3  PRO   2           HG3      PRO   2  28.947   8.129   5.682
   21    HD2  PRO   2           HD2      PRO   2  27.942   7.529   2.888
   22    HD3  PRO   2           HD3      PRO   2  29.356   8.464   3.390
   23    HA   PRO   3           HA       PRO   3  28.556   1.285   3.593
   24    HB2  PRO   3           HB2      PRO   3  27.040   0.335   5.768
   25    HB3  PRO   3           HB3      PRO   3  28.785   0.116   5.576
   26    HG2  PRO   3           HG2      PRO   3  27.285   2.169   7.192
   27    HG3  PRO   3           HG3      PRO   3  28.791   1.323   7.571
   28    HD2  PRO   3           HD2      PRO   3  28.825   3.901   6.724
   29    HD3  PRO   3           HD3      PRO   3  30.103   2.780   6.235
   30    HA   PRO   4           HA       PRO   4  24.428   2.633   2.336
   31    HB2  PRO   4           HB2      PRO   4  24.425   1.458  -0.115
   32    HB3  PRO   4           HB3      PRO   4  25.353   2.931   0.202
   33    HG2  PRO   4           HG2      PRO   4  26.307   0.061   0.076
   34    HG3  PRO   4           HG3      PRO   4  27.081   1.524  -0.548
   35    HD2  PRO   4           HD2      PRO   4  27.779   0.306   1.867
   36    HD3  PRO   4           HD3      PRO   4  28.087   2.009   1.506
   37    H    SER   5           H        SER   5  22.502   1.690   2.664
   38    HA   SER   5           HA       SER   5  22.211  -0.810   3.814
   39    HB2  SER   5           HB2      SER   5  20.540   0.943   4.062
   40    HB3  SER   5           HB3      SER   5  20.136   0.827   2.334
   41    HG   SER   5           HG       SER   5  18.669  -0.361   3.671
   42    H    ASP   6           H        ASP   6  21.471   0.096   0.437
   43    HA   ASP   6           HA       ASP   6  20.362  -2.273  -0.429
   44    HB2  ASP   6           HB2      ASP   6  22.090  -0.310  -2.046
   45    HB3  ASP   6           HB3      ASP   6  21.210  -1.753  -2.610
   46    H    AIB   7           H        AIB   7  21.185  -4.063  -1.659
   47   HB11  AIB   7          HB11      AIB   7  24.458  -6.236  -0.126
   48   HB12  AIB   7          HB12      AIB   7  24.366  -4.518   0.332
   49   HB13  AIB   7          HB13      AIB   7  23.067  -5.638   0.808
   50   HB21  AIB   7          HB21      AIB   7  21.731  -6.695  -0.806
   51   HB22  AIB   7          HB22      AIB   7  22.580  -6.930  -2.277
   52   HB23  AIB   7          HB23      AIB   7  21.246  -5.856  -2.219
   53    H    ALA   8           H        ALA   8  22.857  -4.018  -3.632
   54    HA   ALA   8           HA       ALA   8  25.136  -5.122  -4.839
   55    HB1  ALA   8           HB1      ALA   8  24.769  -3.484  -6.639
   56    HB2  ALA   8           HB2      ALA   8  23.594  -2.638  -5.607
   57    HB3  ALA   8           HB3      ALA   8  23.266  -4.301  -6.150
   58    H    ALA   9           H        ALA   9  24.650  -1.740  -3.736
   59    HA   ALA   9           HA       ALA   9  27.308  -0.982  -4.344
   60    HB1  ALA   9           HB1      ALA   9  26.812   1.097  -3.127
   61    HB2  ALA   9           HB2      ALA   9  25.295   0.373  -2.545
   62    HB3  ALA   9           HB3      ALA   9  25.531   0.666  -4.284
   63    H    TYR  10           H        TYR  10  25.851  -2.365  -1.460
   64    HA   TYR  10           HA       TYR  10  27.791  -1.611   0.415
   65    HB2  TYR  10           HB2      TYR  10  25.598  -2.663   0.931
   66    HB3  TYR  10           HB3      TYR  10  26.274  -4.212   0.371
   67    HD1  TYR  10           HD1      TYR  10  26.509  -1.601   2.997
   68    HD2  TYR  10           HD2      TYR  10  27.776  -5.476   1.777
   69    HE1  TYR  10           HE1      TYR  10  27.440  -1.998   5.238
   70    HE2  TYR  10           HE2      TYR  10  28.709  -5.882   4.015
   71    HH   TYR  10           HH       TYR  10  27.967  -4.517   6.597
   72    H    ALA  11           H        ALA  11  27.795  -4.129  -2.028
   73    HA   ALA  11           HA       ALA  11  30.022  -5.594  -1.057
   74    HB1  ALA  11           HB1      ALA  11  30.108  -6.581  -3.309
   75    HB2  ALA  11           HB2      ALA  11  28.925  -5.375  -3.867
   76    HB3  ALA  11           HB3      ALA  11  28.458  -6.579  -2.642
   77    H    GLN  12           H        GLN  12  29.743  -3.151  -3.659
   78    HA   GLN  12           HA       GLN  12  32.486  -2.992  -4.244
   79    HB2  GLN  12           HB2      GLN  12  30.373  -2.010  -5.440
   80    HB3  GLN  12           HB3      GLN  12  30.724  -0.587  -4.431
   81    HG2  GLN  12           HG2      GLN  12  32.983  -1.667  -6.319
   82    HG3  GLN  12           HG3      GLN  12  31.492  -0.783  -6.722
   83   HE21  GLN  12          HE22      GLN  12  34.570  -0.688  -4.985
   84   HE22  GLN  12          HE21      GLN  12  34.620   1.031  -4.779
   85    H    TRP  13           H        TRP  13  30.493  -1.368  -1.843
   86    HA   TRP  13           HA       TRP  13  32.235   0.614  -0.957
   87    HB2  TRP  13           HB2      TRP  13  29.891   0.478  -0.203
   88    HB3  TRP  13           HB3      TRP  13  30.244  -1.041   0.654
   89    HD1  TRP  13           HD1      TRP  13  31.134   2.719   0.836
   90    HE1  TRP  13           HE1      TRP  13  31.615   3.269   3.304
   91    HE3  TRP  13           HE3      TRP  13  30.817  -1.985   2.797
   92    HZ2  TRP  13           HZ2      TRP  13  31.834   1.894   5.759
   93    HZ3  TRP  13           HZ3      TRP  13  31.181  -2.290   5.212
   94    HH2  TRP  13           HH2      TRP  13  31.677  -0.387   6.662
   95    H    LEU  14           H        LEU  14  31.918  -2.771   0.112
   96    HA   LEU  14           HA       LEU  14  33.949  -2.743   2.061
   97    HB2  LEU  14           HB2      LEU  14  32.871  -4.817   0.287
   98    HB3  LEU  14           HB3      LEU  14  34.008  -5.308   1.563
   99    HG   LEU  14           HG       LEU  14  31.269  -4.053   2.012
  100   HD11  LEU  14          HD11      LEU  14  30.629  -6.240   2.908
  101   HD12  LEU  14          HD12      LEU  14  31.096  -6.342   1.194
  102   HD13  LEU  14          HD13      LEU  14  32.225  -6.885   2.458
  103   HD21  LEU  14          HD21      LEU  14  31.655  -4.548   4.383
  104   HD22  LEU  14          HD22      LEU  14  33.291  -5.133   3.991
  105   HD23  LEU  14          HD23      LEU  14  32.875  -3.420   3.747
  106    H    ALA  15           H        ALA  15  34.006  -3.429  -1.408
  107    HA   ALA  15           HA       ALA  15  36.647  -4.311  -1.645
  108    HB1  ALA  15           HB1      ALA  15  36.442  -3.728  -4.030
  109    HB2  ALA  15           HB2      ALA  15  34.941  -2.845  -3.667
  110    HB3  ALA  15           HB3      ALA  15  35.018  -4.606  -3.422
  111    H    ASP  16           H        ASP  16  35.338  -1.049  -1.466
  112    HA   ASP  16           HA       ASP  16  37.908   0.148  -2.128
  113    HB2  ASP  16           HB2      ASP  16  35.234   1.032  -2.461
  114    HB3  ASP  16           HB3      ASP  16  35.924   1.851  -1.038
  115    H    DAL  17           H        DAL  17  37.323  -1.439   0.458
  116    HA   DAL  17           HA       DAL  17  38.825   0.297   2.190
  117    HB1  DAL  17           HB1      DAL  17  38.824  -1.610   3.745
  118    HB2  DAL  17           HB2      DAL  17  39.350  -2.072   2.110
  119    HB3  DAL  17           HB3      DAL  17  37.706  -2.473   2.662
  120    H    GLY  18           H        GLY  18  35.501  -0.219   1.648
  121    HA2  GLY  18           HA2      GLY  18  33.602   0.517   2.707
  122    HA3  GLY  18           HA3      GLY  18  34.397   0.014   4.218
  123    H    TRP  19           H        TRP  19  35.102   1.534   5.601
  124    HA   TRP  19           HA       TRP  19  34.254   4.215   5.262
  125    HB2  TRP  19           HB2      TRP  19  35.976   2.847   7.348
  126    HB3  TRP  19           HB3      TRP  19  35.610   4.587   7.414
  127    HD1  TRP  19           HD1      TRP  19  34.304   1.318   8.503
  128    HE1  TRP  19           HE1      TRP  19  31.917   1.574   9.432
  129    HE3  TRP  19           HE3      TRP  19  33.275   6.038   6.822
  130    HZ2  TRP  19           HZ2      TRP  19  29.871   3.516   9.451
  131    HZ3  TRP  19           HZ3      TRP  19  31.078   7.019   7.339
  132    HH2  TRP  19           HH2      TRP  19  29.413   5.783   8.625
  133    H    ALA  20           H        ALA  20  37.245   2.579   4.554
  134    HA   ALA  20           HA       ALA  20  38.704   5.084   4.225
  135    HB1  ALA  20           HB1      ALA  20  40.641   3.647   3.728
  136    HB2  ALA  20           HB2      ALA  20  39.592   2.215   3.853
  137    HB3  ALA  20           HB3      ALA  20  39.880   3.234   5.283
  138    H    SER  21           H        SER  21  36.498   4.838   2.509
  139    HA   SER  21           HA       SER  21  37.629   4.127  -0.099
  140    HB2  SER  21           HB2      SER  21  35.475   3.125   0.361
  141    HB3  SER  21           HB3      SER  21  34.785   4.712   0.772
  142    HG   SER  21           HG       SER  21  34.374   4.949  -1.279
  Start of MODEL   29
    1    H1   ARG   1           H1       ARG   1  32.546   7.353   0.514
    2    H2   ARG   1           H2       ARG   1  32.367   8.432   1.541
    3    H3   ARG   1           H3       ARG   1  32.684   7.031   1.972
    4    HA   ARG   1           HA       ARG   1  30.062   8.101   1.683
    5    HB2  ARG   1           HB2      ARG   1  29.038   6.566   0.124
    6    HB3  ARG   1           HB3      ARG   1  30.340   7.496  -0.654
    7    HG2  ARG   1           HG2      ARG   1  31.742   5.318   0.091
    8    HG3  ARG   1           HG3      ARG   1  30.136   4.573  -0.094
    9    HD2  ARG   1           HD2      ARG   1  31.368   6.324  -2.233
   10    HD3  ARG   1           HD3      ARG   1  31.664   4.572  -2.152
   11    HE   ARG   1           HE       ARG   1  29.396   4.194  -2.666
   12   HH11  ARG   1          HH11      ARG   1  30.194   7.609  -2.675
   13   HH12  ARG   1          HH12      ARG   1  28.767   8.058  -3.588
   14   HH21  ARG   1          HH21      ARG   1  27.549   4.777  -3.854
   15   HH22  ARG   1          HH22      ARG   1  27.277   6.462  -4.252
   16    HA   PRO   2           HA       PRO   2  29.829   5.198   5.088
   17    HB2  PRO   2           HB2      PRO   2  26.923   5.822   5.151
   18    HB3  PRO   2           HB3      PRO   2  28.145   6.104   6.399
   19    HG2  PRO   2           HG2      PRO   2  27.051   8.130   4.958
   20    HG3  PRO   2           HG3      PRO   2  28.710   8.198   5.568
   21    HD2  PRO   2           HD2      PRO   2  27.739   7.642   2.756
   22    HD3  PRO   2           HD3      PRO   2  29.176   8.524   3.289
   23    HA   PRO   3           HA       PRO   3  28.361   1.324   3.556
   24    HB2  PRO   3           HB2      PRO   3  26.770   0.460   5.735
   25    HB3  PRO   3           HB3      PRO   3  28.505   0.171   5.549
   26    HG2  PRO   3           HG2      PRO   3  27.085   2.290   7.141
   27    HG3  PRO   3           HG3      PRO   3  28.583   1.424   7.506
   28    HD2  PRO   3           HD2      PRO   3  28.647   3.988   6.624
   29    HD3  PRO   3           HD3      PRO   3  29.895   2.839   6.126
   30    HA   PRO   4           HA       PRO   4  24.263   2.614   2.162
   31    HB2  PRO   4           HB2      PRO   4  24.346   1.432  -0.279
   32    HB3  PRO   4           HB3      PRO   4  25.258   2.910   0.057
   33    HG2  PRO   4           HG2      PRO   4  26.228   0.045  -0.033
   34    HG3  PRO   4           HG3      PRO   4  27.021   1.512  -0.624
   35    HD2  PRO   4           HD2      PRO   4  27.617   0.281   1.820
   36    HD3  PRO   4           HD3      PRO   4  27.962   1.978   1.460
   37    H    SER   5           H        SER   5  22.331   1.648   2.406
   38    HA   SER   5           HA       SER   5  22.025  -0.901   3.473
   39    HB2  SER   5           HB2      SER   5  20.021   0.856   2.039
   40    HB3  SER   5           HB3      SER   5  19.588  -0.631   2.913
   41    HG   SER   5           HG       SER   5  19.366   1.265   4.221
   42    H    ASP   6           H        ASP   6  21.205   0.141   0.143
   43    HA   ASP   6           HA       ASP   6  20.339  -2.162  -0.972
   44    HB2  ASP   6           HB2      ASP   6  20.693   0.069  -2.228
   45    HB3  ASP   6           HB3      ASP   6  22.401  -0.434  -2.171
   46    H    AIB   7           H        AIB   7  21.113  -4.102  -1.623
   47   HB11  AIB   7          HB11      AIB   7  24.460  -6.079  -0.108
   48   HB12  AIB   7          HB12      AIB   7  24.323  -4.340   0.242
   49   HB13  AIB   7          HB13      AIB   7  23.049  -5.460   0.779
   50   HB21  AIB   7          HB21      AIB   7  21.758  -6.677  -0.839
   51   HB22  AIB   7          HB22      AIB   7  22.629  -6.921  -2.296
   52   HB23  AIB   7          HB23      AIB   7  21.263  -5.885  -2.276
   53    H    ALA   8           H        ALA   8  22.883  -4.021  -3.724
   54    HA   ALA   8           HA       ALA   8  25.215  -5.062  -4.867
   55    HB1  ALA   8           HB1      ALA   8  24.916  -3.371  -6.631
   56    HB2  ALA   8           HB2      ALA   8  23.703  -2.553  -5.620
   57    HB3  ALA   8           HB3      ALA   8  23.393  -4.197  -6.226
   58    H    ALA   9           H        ALA   9  24.656  -1.779  -3.546
   59    HA   ALA   9           HA       ALA   9  27.292  -0.917  -4.181
   60    HB1  ALA   9           HB1      ALA   9  26.732   1.115  -2.916
   61    HB2  ALA   9           HB2      ALA   9  25.240   0.332  -2.349
   62    HB3  ALA   9           HB3      ALA   9  25.461   0.674  -4.081
   63    H    TYR  10           H        TYR  10  25.846  -2.412  -1.364
   64    HA   TYR  10           HA       TYR  10  27.738  -1.650   0.563
   65    HB2  TYR  10           HB2      TYR  10  25.513  -2.734   0.975
   66    HB3  TYR  10           HB3      TYR  10  26.262  -4.274   0.486
   67    HD1  TYR  10           HD1      TYR  10  26.233  -1.625   3.077
   68    HD2  TYR  10           HD2      TYR  10  27.789  -5.428   1.975
   69    HE1  TYR  10           HE1      TYR  10  27.065  -1.943   5.366
   70    HE2  TYR  10           HE2      TYR  10  28.630  -5.753   4.262
   71    HH   TYR  10           HH       TYR  10  27.678  -4.432   6.778
   72    H    ALA  11           H        ALA  11  27.800  -4.144  -1.904
   73    HA   ALA  11           HA       ALA  11  29.976  -5.639  -0.845
   74    HB1  ALA  11           HB1      ALA  11  30.081  -6.681  -3.073
   75    HB2  ALA  11           HB2      ALA  11  28.927  -5.470  -3.678
   76    HB3  ALA  11           HB3      ALA  11  28.421  -6.635  -2.433
   77    H    GLN  12           H        GLN  12  29.778  -3.272  -3.524
   78    HA   GLN  12           HA       GLN  12  32.532  -3.163  -4.058
   79    HB2  GLN  12           HB2      GLN  12  30.446  -2.197  -5.317
   80    HB3  GLN  12           HB3      GLN  12  30.812  -0.743  -4.359
   81    HG2  GLN  12           HG2      GLN  12  32.167  -0.449  -6.559
   82    HG3  GLN  12           HG3      GLN  12  33.019  -0.908  -5.066
   83   HE21  GLN  12          HE22      GLN  12  34.697  -2.141  -5.650
   84   HE22  GLN  12          HE21      GLN  12  34.625  -3.488  -6.738
   85    H    TRP  13           H        TRP  13  30.529  -1.482  -1.716
   86    HA   TRP  13           HA       TRP  13  32.291   0.518  -0.879
   87    HB2  TRP  13           HB2      TRP  13  29.923   0.454  -0.176
   88    HB3  TRP  13           HB3      TRP  13  30.233  -1.032   0.754
   89    HD1  TRP  13           HD1      TRP  13  31.184   2.720   0.791
   90    HE1  TRP  13           HE1      TRP  13  31.626   3.369   3.243
   91    HE3  TRP  13           HE3      TRP  13  30.751  -1.891   2.944
   92    HZ2  TRP  13           HZ2      TRP  13  31.767   2.098   5.759
   93    HZ3  TRP  13           HZ3      TRP  13  31.057  -2.094   5.378
   94    HH2  TRP  13           HH2      TRP  13  31.555  -0.138   6.756
   95    H    LEU  14           H        LEU  14  31.867  -2.816   0.312
   96    HA   LEU  14           HA       LEU  14  33.858  -2.762   2.300
   97    HB2  LEU  14           HB2      LEU  14  32.776  -4.880   0.580
   98    HB3  LEU  14           HB3      LEU  14  33.867  -5.343   1.906
   99    HG   LEU  14           HG       LEU  14  31.146  -4.016   2.232
  100   HD11  LEU  14          HD11      LEU  14  30.434  -6.164   3.173
  101   HD12  LEU  14          HD12      LEU  14  30.947  -6.325   1.477
  102   HD13  LEU  14          HD13      LEU  14  32.028  -6.853   2.788
  103   HD21  LEU  14          HD21      LEU  14  31.449  -4.451   4.627
  104   HD22  LEU  14          HD22      LEU  14  33.080  -5.088   4.303
  105   HD23  LEU  14          HD23      LEU  14  32.717  -3.372   3.999
  106    H    ALA  15           H        ALA  15  33.967  -3.631  -1.129
  107    HA   ALA  15           HA       ALA  15  36.596  -4.567  -1.266
  108    HB1  ALA  15           HB1      ALA  15  36.438  -4.129  -3.684
  109    HB2  ALA  15           HB2      ALA  15  34.947  -3.202  -3.400
  110    HB3  ALA  15           HB3      ALA  15  34.991  -4.945  -3.048
  111    H    ASP  16           H        ASP  16  35.348  -1.274  -1.308
  112    HA   ASP  16           HA       ASP  16  37.955  -0.180  -2.007
  113    HB2  ASP  16           HB2      ASP  16  35.291   0.746  -2.414
  114    HB3  ASP  16           HB3      ASP  16  36.030   1.663  -1.077
  115    H    DAL  17           H        DAL  17  37.235  -1.553   0.689
  116    HA   DAL  17           HA       DAL  17  38.792   0.244   2.308
  117    HB1  DAL  17           HB1      DAL  17  38.669  -1.528   4.012
  118    HB2  DAL  17           HB2      DAL  17  39.201  -2.145   2.431
  119    HB3  DAL  17           HB3      DAL  17  37.530  -2.422   2.977
  120    H    GLY  18           H        GLY  18  35.471  -0.060   1.704
  121    HA2  GLY  18           HA2      GLY  18  33.597   0.841   2.678
  122    HA3  GLY  18           HA3      GLY  18  34.329   0.398   4.237
  123    H    TRP  19           H        TRP  19  35.197   1.950   5.501
  124    HA   TRP  19           HA       TRP  19  34.486   4.650   5.008
  125    HB2  TRP  19           HB2      TRP  19  36.283   3.419   7.132
  126    HB3  TRP  19           HB3      TRP  19  35.766   5.122   7.121
  127    HD1  TRP  19           HD1      TRP  19  34.832   1.898   8.541
  128    HE1  TRP  19           HE1      TRP  19  32.425   1.954   9.449
  129    HE3  TRP  19           HE3      TRP  19  33.223   6.211   6.316
  130    HZ2  TRP  19           HZ2      TRP  19  30.147   3.606   9.249
  131    HZ3  TRP  19           HZ3      TRP  19  30.915   6.959   6.726
  132    HH2  TRP  19           HH2      TRP  19  29.410   5.682   8.162
  133    H    ALA  20           H        ALA  20  37.416   2.812   4.473
  134    HA   ALA  20           HA       ALA  20  38.965   5.213   3.883
  135    HB1  ALA  20           HB1      ALA  20  40.853   3.663   3.571
  136    HB2  ALA  20           HB2      ALA  20  39.753   2.291   3.839
  137    HB3  ALA  20           HB3      ALA  20  40.065   3.451   5.152
  138    H    SER  21           H        SER  21  36.782   4.897   2.172
  139    HA   SER  21           HA       SER  21  37.860   3.789  -0.311
  140    HB2  SER  21           HB2      SER  21  35.612   3.087   0.187
  141    HB3  SER  21           HB3      SER  21  35.095   4.770   0.440
  142    HG   SER  21           HG       SER  21  34.673   3.675  -1.711
  Start of MODEL   30
    1    H1   ARG   1           H1       ARG   1  32.927   7.551   1.964
    2    H2   ARG   1           H2       ARG   1  32.499   8.557   2.990
    3    H3   ARG   1           H3       ARG   1  32.732   7.131   3.391
    4    HA   ARG   1           HA       ARG   1  30.227   8.215   2.582
    5    HB2  ARG   1           HB2      ARG   1  29.627   6.689   0.751
    6    HB3  ARG   1           HB3      ARG   1  30.936   7.818   0.331
    7    HG2  ARG   1           HG2      ARG   1  32.417   5.727   1.161
    8    HG3  ARG   1           HG3      ARG   1  30.974   4.847   0.604
    9    HD2  ARG   1           HD2      ARG   1  32.500   6.873  -1.065
   10    HD3  ARG   1           HD3      ARG   1  32.748   5.114  -1.149
   11    HE   ARG   1           HE       ARG   1  30.604   4.891  -2.111
   12   HH11  ARG   1          HH11      ARG   1  31.469   8.246  -1.568
   13   HH12  ARG   1          HH12      ARG   1  30.278   8.856  -2.700
   14   HH21  ARG   1          HH21      ARG   1  29.067   5.682  -3.585
   15   HH22  ARG   1          HH22      ARG   1  28.925   7.411  -3.836
   16    HA   PRO   2           HA       PRO   2  29.393   5.104   5.709
   17    HB2  PRO   2           HB2      PRO   2  26.547   5.921   5.288
   18    HB3  PRO   2           HB3      PRO   2  27.499   5.928   6.779
   19    HG2  PRO   2           HG2      PRO   2  26.880   8.221   5.491
   20    HG3  PRO   2           HG3      PRO   2  28.412   8.034   6.353
   21    HD2  PRO   2           HD2      PRO   2  27.884   7.953   3.376
   22    HD3  PRO   2           HD3      PRO   2  29.284   8.594   4.246
   23    HA   PRO   3           HA       PRO   3  28.289   1.429   3.553
   24    HB2  PRO   3           HB2      PRO   3  26.362   0.694   5.700
   25    HB3  PRO   3           HB3      PRO   3  27.815  -0.161   5.166
   26    HG2  PRO   3           HG2      PRO   3  27.568   1.375   7.504
   27    HG3  PRO   3           HG3      PRO   3  29.084   0.808   6.790
   28    HD2  PRO   3           HD2      PRO   3  28.107   3.535   6.970
   29    HD3  PRO   3           HD3      PRO   3  29.647   2.972   6.308
   30    HA   PRO   4           HA       PRO   4  24.413   2.743   1.685
   31    HB2  PRO   4           HB2      PRO   4  24.644   1.349  -0.637
   32    HB3  PRO   4           HB3      PRO   4  25.625   2.787  -0.322
   33    HG2  PRO   4           HG2      PRO   4  26.378  -0.135  -0.055
   34    HG3  PRO   4           HG3      PRO   4  27.322   1.204  -0.722
   35    HD2  PRO   4           HD2      PRO   4  27.677   0.229   1.855
   36    HD3  PRO   4           HD3      PRO   4  28.077   1.887   1.390
   37    H    SER   5           H        SER   5  22.395   1.794   1.074
   38    HA   SER   5           HA       SER   5  21.743  -0.541   2.605
   39    HB2  SER   5           HB2      SER   5  20.179   1.326   2.483
   40    HB3  SER   5           HB3      SER   5  20.053   1.126   0.720
   41    HG   SER   5           HG       SER   5  18.311   0.111   1.855
   42    H    ASP   6           H        ASP   6  21.452   0.223  -0.879
   43    HA   ASP   6           HA       ASP   6  20.568  -2.146  -1.874
   44    HB2  ASP   6           HB2      ASP   6  22.693  -0.328  -3.143
   45    HB3  ASP   6           HB3      ASP   6  21.878  -1.756  -3.828
   46    H    AIB   7           H        AIB   7  21.341  -4.143  -2.356
   47   HB11  AIB   7          HB11      AIB   7  24.373  -6.191  -0.357
   48   HB12  AIB   7          HB12      AIB   7  24.265  -4.438  -0.067
   49   HB13  AIB   7          HB13      AIB   7  22.884  -5.491   0.321
   50   HB21  AIB   7          HB21      AIB   7  21.898  -6.791  -1.368
   51   HB22  AIB   7          HB22      AIB   7  22.760  -6.958  -2.841
   52   HB23  AIB   7          HB23      AIB   7  21.398  -5.921  -2.757
   53    H    ALA   8           H        ALA   8  23.331  -4.332  -4.243
   54    HA   ALA   8           HA       ALA   8  25.811  -5.390  -4.986
   55    HB1  ALA   8           HB1      ALA   8  25.724  -3.833  -6.892
   56    HB2  ALA   8           HB2      ALA   8  24.375  -2.976  -6.109
   57    HB3  ALA   8           HB3      ALA   8  24.172  -4.665  -6.632
   58    H    ALA   9           H        ALA   9  24.997  -2.088  -3.895
   59    HA   ALA   9           HA       ALA   9  27.607  -1.071  -4.317
   60    HB1  ALA   9           HB1      ALA   9  26.834   0.911  -3.084
   61    HB2  ALA   9           HB2      ALA   9  25.367   0.026  -2.609
   62    HB3  ALA   9           HB3      ALA   9  25.668   0.394  -4.324
   63    H    TYR  10           H        TYR  10  26.029  -2.553  -1.543
   64    HA   TYR  10           HA       TYR  10  27.840  -1.793   0.454
   65    HB2  TYR  10           HB2      TYR  10  25.663  -2.796   0.913
   66    HB3  TYR  10           HB3      TYR  10  26.229  -4.334   0.216
   67    HD1  TYR  10           HD1      TYR  10  26.916  -1.921   2.987
   68    HD2  TYR  10           HD2      TYR  10  27.317  -5.918   1.596
   69    HE1  TYR  10           HE1      TYR  10  27.770  -2.596   5.192
   70    HE2  TYR  10           HE2      TYR  10  28.177  -6.605   3.796
   71    HH   TYR  10           HH       TYR  10  28.702  -5.962   5.850
   72    H    ALA  11           H        ALA  11  28.037  -4.279  -2.011
   73    HA   ALA  11           HA       ALA  11  30.192  -5.737  -0.845
   74    HB1  ALA  11           HB1      ALA  11  30.389  -6.814  -3.049
   75    HB2  ALA  11           HB2      ALA  11  29.235  -5.634  -3.713
   76    HB3  ALA  11           HB3      ALA  11  28.708  -6.788  -2.465
   77    H    GLN  12           H        GLN  12  30.043  -3.419  -3.568
   78    HA   GLN  12           HA       GLN  12  32.811  -3.268  -4.016
   79    HB2  GLN  12           HB2      GLN  12  30.745  -2.358  -5.353
   80    HB3  GLN  12           HB3      GLN  12  31.064  -0.883  -4.411
   81    HG2  GLN  12           HG2      GLN  12  32.501  -0.565  -6.532
   82    HG3  GLN  12           HG3      GLN  12  33.323  -1.104  -5.049
   83   HE21  GLN  12          HE22      GLN  12  35.019  -2.246  -5.825
   84   HE22  GLN  12          HE21      GLN  12  34.889  -3.602  -6.896
   85    H    TRP  13           H        TRP  13  30.699  -1.595  -1.765
   86    HA   TRP  13           HA       TRP  13  32.380   0.461  -0.907
   87    HB2  TRP  13           HB2      TRP  13  30.006   0.356  -0.268
   88    HB3  TRP  13           HB3      TRP  13  30.306  -1.131   0.664
   89    HD1  TRP  13           HD1      TRP  13  31.253   2.623   0.749
   90    HE1  TRP  13           HE1      TRP  13  31.574   3.267   3.221
   91    HE3  TRP  13           HE3      TRP  13  30.660  -1.982   2.871
   92    HZ2  TRP  13           HZ2      TRP  13  31.571   1.992   5.741
   93    HZ3  TRP  13           HZ3      TRP  13  30.835  -2.191   5.318
   94    HH2  TRP  13           HH2      TRP  13  31.282  -0.243   6.721
   95    H    LEU  14           H        LEU  14  32.030  -2.873   0.312
   96    HA   LEU  14           HA       LEU  14  33.967  -2.719   2.352
   97    HB2  LEU  14           HB2      LEU  14  32.973  -4.899   0.658
   98    HB3  LEU  14           HB3      LEU  14  34.043  -5.308   2.018
   99    HG   LEU  14           HG       LEU  14  31.273  -4.066   2.230
  100   HD11  LEU  14          HD11      LEU  14  30.637  -6.195   3.260
  101   HD12  LEU  14          HD12      LEU  14  31.203  -6.415   1.588
  102   HD13  LEU  14          HD13      LEU  14  32.272  -6.825   2.950
  103   HD21  LEU  14          HD21      LEU  14  31.531  -4.362   4.652
  104   HD22  LEU  14          HD22      LEU  14  33.198  -4.937   4.402
  105   HD23  LEU  14          HD23      LEU  14  32.766  -3.258   4.000
  106    H    ALA  15           H        ALA  15  34.186  -3.644  -1.056
  107    HA   ALA  15           HA       ALA  15  36.809  -4.576  -1.116
  108    HB1  ALA  15           HB1      ALA  15  36.735  -4.126  -3.536
  109    HB2  ALA  15           HB2      ALA  15  35.242  -3.189  -3.298
  110    HB3  ALA  15           HB3      ALA  15  35.262  -4.934  -2.949
  111    H    ASP  16           H        ASP  16  35.604  -1.255  -1.290
  112    HA   ASP  16           HA       ASP  16  38.246  -0.216  -1.887
  113    HB2  ASP  16           HB2      ASP  16  35.575   0.789  -2.264
  114    HB3  ASP  16           HB3      ASP  16  36.443   1.730  -1.026
  115    H    DAL  17           H        DAL  17  36.928  -1.327   0.914
  116    HA   DAL  17           HA       DAL  17  38.624   0.456   2.515
  117    HB1  DAL  17           HB1      DAL  17  38.628  -1.347   4.189
  118    HB2  DAL  17           HB2      DAL  17  39.226  -1.891   2.605
  119    HB3  DAL  17           HB3      DAL  17  37.578  -2.314   3.127
  120    H    GLY  18           H        GLY  18  35.419   0.223   1.759
  121    HA2  GLY  18           HA2      GLY  18  33.450   0.867   2.757
  122    HA3  GLY  18           HA3      GLY  18  34.179   0.432   4.321
  123    H    TRP  19           H        TRP  19  35.060   2.012   5.603
  124    HA   TRP  19           HA       TRP  19  34.113   4.650   5.210
  125    HB2  TRP  19           HB2      TRP  19  36.064   3.477   7.219
  126    HB3  TRP  19           HB3      TRP  19  35.566   5.185   7.241
  127    HD1  TRP  19           HD1      TRP  19  34.691   1.994   8.740
  128    HE1  TRP  19           HE1      TRP  19  32.327   2.057   9.755
  129    HE3  TRP  19           HE3      TRP  19  32.962   6.268   6.521
  130    HZ2  TRP  19           HZ2      TRP  19  30.032   3.697   9.631
  131    HZ3  TRP  19           HZ3      TRP  19  30.672   7.013   7.022
  132    HH2  TRP  19           HH2      TRP  19  29.239   5.753   8.544
  133    H    ALA  20           H        ALA  20  37.120   3.064   4.430
  134    HA   ALA  20           HA       ALA  20  38.366   5.612   3.693
  135    HB1  ALA  20           HB1      ALA  20  40.423   4.293   3.385
  136    HB2  ALA  20           HB2      ALA  20  39.522   2.816   3.796
  137    HB3  ALA  20           HB3      ALA  20  39.740   4.093   5.016
  138    H    SER  21           H        SER  21  36.103   4.584   2.200
  139    HA   SER  21           HA       SER  21  37.222   3.592  -0.296
  140    HB2  SER  21           HB2      SER  21  34.367   4.124   0.567
  141    HB3  SER  21           HB3      SER  21  34.835   3.479  -1.023
  142    HG   SER  21           HG       SER  21  36.021   2.040   0.917
  Start of MODEL   31
    1    H1   ARG   1           H1       ARG   1  33.028   7.670   1.616
    2    H2   ARG   1           H2       ARG   1  32.694   8.675   2.677
    3    H3   ARG   1           H3       ARG   1  33.019   7.261   3.059
    4    HA   ARG   1           HA       ARG   1  30.401   8.256   2.550
    5    HB2  ARG   1           HB2      ARG   1  29.609   6.864   0.768
    6    HB3  ARG   1           HB3      ARG   1  31.019   7.797   0.215
    7    HG2  ARG   1           HG2      ARG   1  32.159   5.454   1.134
    8    HG3  ARG   1           HG3      ARG   1  30.632   4.887   0.415
    9    HD2  ARG   1           HD2      ARG   1  32.468   6.781  -1.060
   10    HD3  ARG   1           HD3      ARG   1  32.719   5.020  -1.104
   11    HE   ARG   1           HE       ARG   1  30.674   4.791  -2.263
   12   HH11  ARG   1          HH11      ARG   1  31.500   8.149  -1.684
   13   HH12  ARG   1          HH12      ARG   1  30.423   8.748  -2.931
   14   HH21  ARG   1          HH21      ARG   1  29.279   5.567  -3.877
   15   HH22  ARG   1          HH22      ARG   1  29.171   7.293  -4.166
   16    HA   PRO   2           HA       PRO   2  29.739   4.972   5.467
   17    HB2  PRO   2           HB2      PRO   2  27.095   5.350   5.963
   18    HB3  PRO   2           HB3      PRO   2  28.302   6.535   6.481
   19    HG2  PRO   2           HG2      PRO   2  26.450   6.613   4.096
   20    HG3  PRO   2           HG3      PRO   2  26.957   7.930   5.162
   21    HD2  PRO   2           HD2      PRO   2  28.070   7.410   2.632
   22    HD3  PRO   2           HD3      PRO   2  28.861   8.366   3.892
   23    HA   PRO   3           HA       PRO   3  28.401   1.243   3.487
   24    HB2  PRO   3           HB2      PRO   3  26.625   0.688   5.831
   25    HB3  PRO   3           HB3      PRO   3  27.932  -0.299   5.163
   26    HG2  PRO   3           HG2      PRO   3  28.160   1.160   7.478
   27    HG3  PRO   3           HG3      PRO   3  29.539   0.721   6.461
   28    HD2  PRO   3           HD2      PRO   3  28.291   3.385   6.862
   29    HD3  PRO   3           HD3      PRO   3  29.887   2.988   6.213
   30    HA   PRO   4           HA       PRO   4  24.421   2.702   1.930
   31    HB2  PRO   4           HB2      PRO   4  24.482   1.407  -0.461
   32    HB3  PRO   4           HB3      PRO   4  25.473   2.841  -0.158
   33    HG2  PRO   4           HG2      PRO   4  26.268  -0.079  -0.089
   34    HG3  PRO   4           HG3      PRO   4  27.153   1.304  -0.747
   35    HD2  PRO   4           HD2      PRO   4  27.684   0.196   1.751
   36    HD3  PRO   4           HD3      PRO   4  28.055   1.875   1.340
   37    H    SER   5           H        SER   5  22.359   1.845   1.723
   38    HA   SER   5           HA       SER   5  21.806  -0.590   3.042
   39    HB2  SER   5           HB2      SER   5  20.055   1.194   1.337
   40    HB3  SER   5           HB3      SER   5  19.449  -0.205   2.253
   41    HG   SER   5           HG       SER   5  19.246   1.780   3.426
   42    H    ASP   6           H        ASP   6  21.530   0.301  -0.406
   43    HA   ASP   6           HA       ASP   6  20.483  -2.026  -1.417
   44    HB2  ASP   6           HB2      ASP   6  22.550  -0.186  -2.751
   45    HB3  ASP   6           HB3      ASP   6  21.688  -1.586  -3.434
   46    H    AIB   7           H        AIB   7  21.208  -4.014  -2.018
   47   HB11  AIB   7          HB11      AIB   7  24.326  -6.151  -0.255
   48   HB12  AIB   7          HB12      AIB   7  24.251  -4.408   0.094
   49   HB13  AIB   7          HB13      AIB   7  22.883  -5.462   0.524
   50   HB21  AIB   7          HB21      AIB   7  21.746  -6.663  -1.147
   51   HB22  AIB   7          HB22      AIB   7  22.593  -6.860  -2.624
   52   HB23  AIB   7          HB23      AIB   7  21.256  -5.791  -2.539
   53    H    ALA   8           H        ALA   8  23.088  -4.117  -4.006
   54    HA   ALA   8           HA       ALA   8  25.478  -5.226  -4.953
   55    HB1  ALA   8           HB1      ALA   8  25.320  -3.589  -6.786
   56    HB2  ALA   8           HB2      ALA   8  24.054  -2.723  -5.884
   57    HB3  ALA   8           HB3      ALA   8  23.761  -4.382  -6.458
   58    H    ALA   9           H        ALA   9  24.856  -1.907  -3.767
   59    HA   ALA   9           HA       ALA   9  27.498  -1.020  -4.275
   60    HB1  ALA   9           HB1      ALA   9  26.871   0.990  -3.006
   61    HB2  ALA   9           HB2      ALA   9  25.377   0.178  -2.487
   62    HB3  ALA   9           HB3      ALA   9  25.638   0.542  -4.209
   63    H    TYR  10           H        TYR  10  25.959  -2.502  -1.496
   64    HA   TYR  10           HA       TYR  10  27.785  -1.788   0.499
   65    HB2  TYR  10           HB2      TYR  10  25.616  -2.800   0.957
   66    HB3  TYR  10           HB3      TYR  10  26.166  -4.319   0.208
   67    HD1  TYR  10           HD1      TYR  10  26.874  -2.000   3.048
   68    HD2  TYR  10           HD2      TYR  10  27.263  -5.950   1.526
   69    HE1  TYR  10           HE1      TYR  10  27.738  -2.748   5.227
   70    HE2  TYR  10           HE2      TYR  10  28.134  -6.709   3.695
   71    HH   TYR  10           HH       TYR  10  28.669  -6.135   5.770
   72    H    ALA  11           H        ALA  11  27.966  -4.230  -2.011
   73    HA   ALA  11           HA       ALA  11  30.119  -5.719  -0.883
   74    HB1  ALA  11           HB1      ALA  11  30.296  -6.760  -3.108
   75    HB2  ALA  11           HB2      ALA  11  29.146  -5.563  -3.745
   76    HB3  ALA  11           HB3      ALA  11  28.619  -6.734  -2.513
   77    H    GLN  12           H        GLN  12  29.965  -3.343  -3.556
   78    HA   GLN  12           HA       GLN  12  32.733  -3.203  -4.018
   79    HB2  GLN  12           HB2      GLN  12  30.659  -2.256  -5.325
   80    HB3  GLN  12           HB3      GLN  12  31.003  -0.798  -4.366
   81    HG2  GLN  12           HG2      GLN  12  32.457  -0.420  -6.439
   82    HG3  GLN  12           HG3      GLN  12  33.282  -1.127  -5.030
   83   HE21  GLN  12          HE22      GLN  12  34.818  -2.438  -5.808
   84   HE22  GLN  12          HE21      GLN  12  34.584  -3.648  -7.026
   85    H    TRP  13           H        TRP  13  30.640  -1.546  -1.732
   86    HA   TRP  13           HA       TRP  13  32.344   0.482  -0.847
   87    HB2  TRP  13           HB2      TRP  13  29.955   0.352  -0.208
   88    HB3  TRP  13           HB3      TRP  13  30.286  -1.116   0.743
   89    HD1  TRP  13           HD1      TRP  13  30.965   2.679   0.793
   90    HE1  TRP  13           HE1      TRP  13  31.385   3.351   3.242
   91    HE3  TRP  13           HE3      TRP  13  30.986  -1.960   2.915
   92    HZ2  TRP  13           HZ2      TRP  13  31.686   2.083   5.746
   93    HZ3  TRP  13           HZ3      TRP  13  31.351  -2.155   5.341
   94    HH2  TRP  13           HH2      TRP  13  31.695  -0.170   6.726
   95    H    LEU  14           H        LEU  14  32.000  -2.886   0.270
   96    HA   LEU  14           HA       LEU  14  33.945  -2.794   2.313
   97    HB2  LEU  14           HB2      LEU  14  32.950  -4.920   0.550
   98    HB3  LEU  14           HB3      LEU  14  34.041  -5.371   1.881
   99    HG   LEU  14           HG       LEU  14  31.278  -4.126   2.195
  100   HD11  LEU  14          HD11      LEU  14  30.622  -6.303   3.106
  101   HD12  LEU  14          HD12      LEU  14  31.157  -6.434   1.415
  102   HD13  LEU  14          HD13      LEU  14  32.240  -6.942   2.733
  103   HD21  LEU  14          HD21      LEU  14  31.572  -4.580   4.589
  104   HD22  LEU  14          HD22      LEU  14  33.224  -5.167   4.273
  105   HD23  LEU  14          HD23      LEU  14  32.815  -3.458   3.986
  106    H    ALA  15           H        ALA  15  34.130  -3.708  -1.109
  107    HA   ALA  15           HA       ALA  15  36.824  -4.473  -1.190
  108    HB1  ALA  15           HB1      ALA  15  36.657  -4.134  -3.624
  109    HB2  ALA  15           HB2      ALA  15  35.103  -3.304  -3.385
  110    HB3  ALA  15           HB3      ALA  15  35.263  -5.027  -2.971
  111    H    ASP  16           H        ASP  16  35.349  -1.314  -1.170
  112    HA   ASP  16           HA       ASP  16  37.806   0.012  -1.999
  113    HB2  ASP  16           HB2      ASP  16  34.954   0.964  -1.513
  114    HB3  ASP  16           HB3      ASP  16  36.392   2.006  -1.383
  115    H    DAL  17           H        DAL  17  37.359  -1.465   0.698
  116    HA   DAL  17           HA       DAL  17  38.856   0.403   2.279
  117    HB1  DAL  17           HB1      DAL  17  38.903  -1.390   3.965
  118    HB2  DAL  17           HB2      DAL  17  39.395  -1.965   2.356
  119    HB3  DAL  17           HB3      DAL  17  37.767  -2.333   2.972
  120    H    GLY  18           H        GLY  18  35.508  -0.382   1.956
  121    HA2  GLY  18           HA2      GLY  18  33.620   0.394   3.007
  122    HA3  GLY  18           HA3      GLY  18  34.524   0.164   4.522
  123    H    TRP  19           H        TRP  19  35.164   1.907   5.641
  124    HA   TRP  19           HA       TRP  19  34.130   4.456   4.965
  125    HB2  TRP  19           HB2      TRP  19  35.996   3.495   7.149
  126    HB3  TRP  19           HB3      TRP  19  35.549   5.209   6.979
  127    HD1  TRP  19           HD1      TRP  19  34.396   2.039   8.511
  128    HE1  TRP  19           HE1      TRP  19  32.037   2.336   9.493
  129    HE3  TRP  19           HE3      TRP  19  33.183   6.511   6.357
  130    HZ2  TRP  19           HZ2      TRP  19  29.937   4.222   9.370
  131    HZ3  TRP  19           HZ3      TRP  19  30.982   7.495   6.840
  132    HH2  TRP  19           HH2      TRP  19  29.392   6.372   8.316
  133    H    ALA  20           H        ALA  20  37.245   2.939   4.479
  134    HA   ALA  20           HA       ALA  20  38.752   5.278   3.960
  135    HB1  ALA  20           HB1      ALA  20  40.380   3.768   2.899
  136    HB2  ALA  20           HB2      ALA  20  39.191   2.448   2.989
  137    HB3  ALA  20           HB3      ALA  20  39.837   3.166   4.483
  138    H    SER  21           H        SER  21  36.329   3.683   2.124
  139    HA   SER  21           HA       SER  21  37.158   4.202  -0.499
  140    HB2  SER  21           HB2      SER  21  35.217   2.753   0.194
  141    HB3  SER  21           HB3      SER  21  34.294   4.247   0.476
  142    HG   SER  21           HG       SER  21  34.589   4.764  -1.734
  Start of MODEL   32
    1    H1   ARG   1           H1       ARG   1  32.464   7.814   1.491
    2    H2   ARG   1           H2       ARG   1  32.119   8.736   2.624
    3    H3   ARG   1           H3       ARG   1  32.527   7.320   2.906
    4    HA   ARG   1           HA       ARG   1  29.849   8.208   2.542
    5    HB2  ARG   1           HB2      ARG   1  29.141   6.601   0.761
    6    HB3  ARG   1           HB3      ARG   1  30.119   7.984   0.216
    7    HG2  ARG   1           HG2      ARG   1  32.033   6.639  -0.130
    8    HG3  ARG   1           HG3      ARG   1  31.359   5.293   0.821
    9    HD2  ARG   1           HD2      ARG   1  29.806   4.730  -0.887
   10    HD3  ARG   1           HD3      ARG   1  30.084   6.262  -1.749
   11    HE   ARG   1           HE       ARG   1  31.658   3.855  -1.912
   12   HH11  ARG   1          HH11      ARG   1  31.670   7.329  -2.357
   13   HH12  ARG   1          HH12      ARG   1  32.997   7.298  -3.502
   14   HH21  ARG   1          HH21      ARG   1  33.382   3.810  -3.401
   15   HH22  ARG   1          HH22      ARG   1  33.962   5.313  -4.091
   16    HA   PRO   2           HA       PRO   2  29.768   4.888   5.572
   17    HB2  PRO   2           HB2      PRO   2  26.858   5.478   5.746
   18    HB3  PRO   2           HB3      PRO   2  28.090   5.579   7.011
   19    HG2  PRO   2           HG2      PRO   2  26.989   7.793   5.895
   20    HG3  PRO   2           HG3      PRO   2  28.660   7.771   6.475
   21    HD2  PRO   2           HD2      PRO   2  27.630   7.613   3.631
   22    HD3  PRO   2           HD3      PRO   2  29.073   8.423   4.254
   23    HA   PRO   3           HA       PRO   3  28.453   1.190   3.552
   24    HB2  PRO   3           HB2      PRO   3  26.802   0.545   5.973
   25    HB3  PRO   3           HB3      PRO   3  28.064  -0.419   5.194
   26    HG2  PRO   3           HG2      PRO   3  28.443   0.979   7.528
   27    HG3  PRO   3           HG3      PRO   3  29.752   0.572   6.410
   28    HD2  PRO   3           HD2      PRO   3  28.559   3.219   6.984
   29    HD3  PRO   3           HD3      PRO   3  30.080   2.838   6.167
   30    HA   PRO   4           HA       PRO   4  24.382   2.595   2.194
   31    HB2  PRO   4           HB2      PRO   4  24.437   1.446  -0.272
   32    HB3  PRO   4           HB3      PRO   4  25.375   2.900   0.096
   33    HG2  PRO   4           HG2      PRO   4  26.289   0.019  -0.039
   34    HG3  PRO   4           HG3      PRO   4  27.107   1.479  -0.613
   35    HD2  PRO   4           HD2      PRO   4  27.708   0.215   1.800
   36    HD3  PRO   4           HD3      PRO   4  28.042   1.922   1.483
   37    H    SER   5           H        SER   5  22.384   1.700   2.302
   38    HA   SER   5           HA       SER   5  21.961  -0.795   3.454
   39    HB2  SER   5           HB2      SER   5  20.067   0.957   1.870
   40    HB3  SER   5           HB3      SER   5  19.557  -0.475   2.793
   41    HG   SER   5           HG       SER   5  19.352   1.483   4.007
   42    H    ASP   6           H        ASP   6  21.369   0.136   0.051
   43    HA   ASP   6           HA       ASP   6  20.346  -2.216  -0.911
   44    HB2  ASP   6           HB2      ASP   6  22.196  -0.262  -2.397
   45    HB3  ASP   6           HB3      ASP   6  21.343  -1.694  -3.025
   46    H    AIB   7           H        AIB   7  21.209  -4.042  -2.011
   47   HB11  AIB   7          HB11      AIB   7  24.401  -6.170  -0.290
   48   HB12  AIB   7          HB12      AIB   7  24.284  -4.440   0.112
   49   HB13  AIB   7          HB13      AIB   7  22.964  -5.549   0.553
   50   HB21  AIB   7          HB21      AIB   7  21.777  -6.712  -1.113
   51   HB22  AIB   7          HB22      AIB   7  22.640  -6.895  -2.584
   52   HB23  AIB   7          HB23      AIB   7  21.279  -5.855  -2.511
   53    H    ALA   8           H        ALA   8  22.973  -4.027  -3.919
   54    HA   ALA   8           HA       ALA   8  25.317  -5.117  -5.008
   55    HB1  ALA   8           HB1      ALA   8  25.035  -3.477  -6.821
   56    HB2  ALA   8           HB2      ALA   8  23.806  -2.636  -5.848
   57    HB3  ALA   8           HB3      ALA   8  23.511  -4.299  -6.410
   58    H    ALA   9           H        ALA   9  24.742  -1.774  -3.843
   59    HA   ALA   9           HA       ALA   9  27.386  -0.928  -4.388
   60    HB1  ALA   9           HB1      ALA   9  26.813   1.096  -3.117
   61    HB2  ALA   9           HB2      ALA   9  25.310   0.312  -2.579
   62    HB3  ALA   9           HB3      ALA   9  25.561   0.664  -4.305
   63    H    TYR  10           H        TYR  10  25.912  -2.422  -1.578
   64    HA   TYR  10           HA       TYR  10  27.774  -1.700   0.382
   65    HB2  TYR  10           HB2      TYR  10  25.636  -2.754   0.886
   66    HB3  TYR  10           HB3      TYR  10  26.192  -4.256   0.108
   67    HD1  TYR  10           HD1      TYR  10  26.911  -1.962   2.969
   68    HD2  TYR  10           HD2      TYR  10  27.361  -5.878   1.371
   69    HE1  TYR  10           HE1      TYR  10  27.848  -2.725   5.110
   70    HE2  TYR  10           HE2      TYR  10  28.304  -6.649   3.505
   71    HH   TYR  10           HH       TYR  10  28.683  -4.431   6.256
   72    H    ALA  11           H        ALA  11  27.912  -4.152  -2.132
   73    HA   ALA  11           HA       ALA  11  30.144  -5.586  -1.112
   74    HB1  ALA  11           HB1      ALA  11  30.289  -6.570  -3.363
   75    HB2  ALA  11           HB2      ALA  11  29.091  -5.389  -3.942
   76    HB3  ALA  11           HB3      ALA  11  28.628  -6.602  -2.726
   77    H    GLN  12           H        GLN  12  29.856  -3.156  -3.727
   78    HA   GLN  12           HA       GLN  12  32.602  -2.934  -4.268
   79    HB2  GLN  12           HB2      GLN  12  30.479  -2.004  -5.491
   80    HB3  GLN  12           HB3      GLN  12  30.795  -0.569  -4.489
   81    HG2  GLN  12           HG2      GLN  12  32.123  -0.171  -6.694
   82    HG3  GLN  12           HG3      GLN  12  32.994  -0.609  -5.205
   83   HE21  GLN  12          HE22      GLN  12  34.800  -1.510  -6.107
   84   HE22  GLN  12          HE21      GLN  12  34.778  -2.930  -7.099
   85    H    TRP  13           H        TRP  13  30.548  -1.381  -1.875
   86    HA   TRP  13           HA       TRP  13  32.228   0.654  -0.983
   87    HB2  TRP  13           HB2      TRP  13  29.888   0.451  -0.227
   88    HB3  TRP  13           HB3      TRP  13  30.284  -1.059   0.627
   89    HD1  TRP  13           HD1      TRP  13  30.974   2.734   0.827
   90    HE1  TRP  13           HE1      TRP  13  31.506   3.295   3.283
   91    HE3  TRP  13           HE3      TRP  13  31.034  -1.995   2.742
   92    HZ2  TRP  13           HZ2      TRP  13  31.893   1.912   5.715
   93    HZ3  TRP  13           HZ3      TRP  13  31.499  -2.298   5.141
   94    HH2  TRP  13           HH2      TRP  13  31.921  -0.382   6.594
   95    H    LEU  14           H        LEU  14  32.042  -2.758   0.013
   96    HA   LEU  14           HA       LEU  14  34.067  -2.683   1.977
   97    HB2  LEU  14           HB2      LEU  14  33.045  -4.765   0.181
   98    HB3  LEU  14           HB3      LEU  14  34.213  -5.238   1.436
   99    HG   LEU  14           HG       LEU  14  31.434  -4.090   1.929
  100   HD11  LEU  14          HD11      LEU  14  30.896  -6.315   2.802
  101   HD12  LEU  14          HD12      LEU  14  31.351  -6.375   1.083
  102   HD13  LEU  14          HD13      LEU  14  32.514  -6.886   2.330
  103   HD21  LEU  14          HD21      LEU  14  31.868  -4.600   4.293
  104   HD22  LEU  14          HD22      LEU  14  33.520  -5.118   3.876
  105   HD23  LEU  14          HD23      LEU  14  33.039  -3.418   3.660
  106    H    ALA  15           H        ALA  15  34.134  -3.355  -1.497
  107    HA   ALA  15           HA       ALA  15  36.788  -4.157  -1.768
  108    HB1  ALA  15           HB1      ALA  15  36.563  -3.524  -4.136
  109    HB2  ALA  15           HB2      ALA  15  35.049  -2.675  -3.748
  110    HB3  ALA  15           HB3      ALA  15  35.157  -4.439  -3.544
  111    H    ASP  16           H        ASP  16  35.432  -0.921  -1.486
  112    HA   ASP  16           HA       ASP  16  37.974   0.329  -2.154
  113    HB2  ASP  16           HB2      ASP  16  35.289   1.189  -2.428
  114    HB3  ASP  16           HB3      ASP  16  35.976   1.967  -0.980
  115    H    DAL  17           H        DAL  17  37.406  -1.329   0.411
  116    HA   DAL  17           HA       DAL  17  38.915   0.398   2.164
  117    HB1  DAL  17           HB1      DAL  17  39.020  -1.560   3.650
  118    HB2  DAL  17           HB2      DAL  17  39.533  -1.944   1.991
  119    HB3  DAL  17           HB3      DAL  17  37.918  -2.430   2.558
  120    H    GLY  18           H        GLY  18  35.604  -0.240   1.664
  121    HA2  GLY  18           HA2      GLY  18  33.698   0.379   2.785
  122    HA3  GLY  18           HA3      GLY  18  34.545  -0.140   4.261
  123    H    TRP  19           H        TRP  19  35.182   1.360   5.689
  124    HA   TRP  19           HA       TRP  19  34.227   4.012   5.455
  125    HB2  TRP  19           HB2      TRP  19  36.071   2.677   7.464
  126    HB3  TRP  19           HB3      TRP  19  35.563   4.377   7.603
  127    HD1  TRP  19           HD1      TRP  19  34.567   0.992   8.626
  128    HE1  TRP  19           HE1      TRP  19  32.174   1.003   9.573
  129    HE3  TRP  19           HE3      TRP  19  33.085   5.619   7.033
  130    HZ2  TRP  19           HZ2      TRP  19  29.951   2.744   9.637
  131    HZ3  TRP  19           HZ3      TRP  19  30.811   6.381   7.578
  132    HH2  TRP  19           HH2      TRP  19  29.277   4.972   8.853
  133    H    ALA  20           H        ALA  20  37.317   2.533   4.742
  134    HA   ALA  20           HA       ALA  20  38.620   5.123   4.413
  135    HB1  ALA  20           HB1      ALA  20  40.648   3.807   3.941
  136    HB2  ALA  20           HB2      ALA  20  39.689   2.314   4.061
  137    HB3  ALA  20           HB3      ALA  20  39.900   3.352   5.490
  138    H    SER  21           H        SER  21  36.455   4.762   2.685
  139    HA   SER  21           HA       SER  21  37.593   4.035   0.093
  140    HB2  SER  21           HB2      SER  21  35.430   3.074   0.530
  141    HB3  SER  21           HB3      SER  21  34.762   4.662   0.968
  142    HG   SER  21           HG       SER  21  34.362   3.809  -1.264