NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
25465 | 2k91 | 16027 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 HT1 GLY 1 -11.101 3.737 5.290 2 H2 GLY 1 HT2 GLY 1 -9.942 2.680 4.639 3 H3 GLY 1 HT3 GLY 1 -10.478 4.015 3.736 4 HA2 GLY 1 HA1 GLY 1 -8.778 5.152 4.635 5 HA3 GLY 1 HA2 GLY 1 -9.583 5.055 6.232 6 H ILE 2 H ILE 2 -7.946 3.184 3.513 7 HA ILE 2 HA ILE 2 -5.558 2.726 5.231 8 HB ILE 2 HB ILE 2 -6.543 0.711 4.299 9 HG12 ILE 2 HG12 ILE 2 -3.978 1.102 4.325 10 HG13 ILE 2 HG11 ILE 2 -4.595 -0.251 3.381 11 HG21 ILE 2 HG21 ILE 2 -6.661 2.393 1.869 12 HG22 ILE 2 HG22 ILE 2 -7.741 1.104 2.404 13 HG23 ILE 2 HG23 ILE 2 -6.224 0.706 1.598 14 HD11 ILE 2 HD11 ILE 2 -2.999 1.916 2.470 15 HD12 ILE 2 HD12 ILE 2 -4.587 2.109 1.730 16 HD13 ILE 2 HD13 ILE 2 -3.689 0.608 1.511 17 H VAL 3 H VAL 3 -6.634 4.348 2.341 18 HA VAL 3 HA VAL 3 -3.813 5.039 1.655 19 HB VAL 3 HB VAL 3 -4.730 5.793 -0.499 20 HG11 VAL 3 HG11 VAL 3 -5.911 3.092 0.176 21 HG12 VAL 3 HG12 VAL 3 -4.178 3.350 -0.033 22 HG13 VAL 3 HG13 VAL 3 -5.280 3.639 -1.377 23 HG21 VAL 3 HG21 VAL 3 -7.193 5.712 1.030 24 HG22 VAL 3 HG22 VAL 3 -7.351 4.770 -0.452 25 HG23 VAL 3 HG23 VAL 3 -6.882 6.468 -0.533 26 H GLU 4 H GLU 4 -6.571 6.263 3.206 27 HA GLU 4 HA GLU 4 -6.903 8.898 2.622 28 HB2 GLU 4 HB2 GLU 4 -6.927 9.321 5.165 29 HB3 GLU 4 HB1 GLU 4 -8.029 8.091 4.544 30 HG2 GLU 4 HG2 GLU 4 -6.756 6.331 5.383 31 HG3 GLU 4 HG1 GLU 4 -5.268 7.278 5.394 32 H GLN 5 H GLN 5 -3.956 7.501 3.941 33 HA GLN 5 HA GLN 5 -2.757 10.227 3.999 34 HB2 GLN 5 HB2 GLN 5 -0.833 8.667 5.104 35 HB3 GLN 5 HB1 GLN 5 -2.117 9.423 6.043 36 HG2 GLN 5 HG2 GLN 5 -3.390 7.430 6.128 37 HG3 GLN 5 HG1 GLN 5 -2.491 6.697 4.800 38 HE21 GLN 5 HE21 GLN 5 -2.497 5.023 6.851 39 HE22 GLN 5 HE22 GLN 5 -1.081 5.093 7.783 40 H CYS 6 H CYS 6 -1.739 6.898 3.113 41 HA CYS 6 HA CYS 6 0.510 7.608 1.596 42 HB2 CYS 6 HB2 CYS 6 -1.399 5.385 0.850 43 HB3 CYS 6 HB1 CYS 6 0.340 5.450 0.563 44 H CYS 7 H CYS 7 -2.867 7.971 0.809 45 HA CYS 7 HA CYS 7 -2.282 8.442 -2.039 46 HB2 CYS 7 HB2 CYS 7 -4.673 7.961 -0.428 47 HB3 CYS 7 HB1 CYS 7 -4.888 9.221 -1.636 48 H THR 8 H THR 8 -2.165 10.290 0.787 49 HA THR 8 HA THR 8 -2.631 12.784 -0.803 50 HB THR 8 HB THR 8 -4.265 12.693 0.958 51 HG1 THR 8 HG1 THR 8 -3.819 14.612 1.748 52 HG21 THR 8 HG21 THR 8 -3.039 10.958 2.296 53 HG22 THR 8 HG22 THR 8 -3.700 12.269 3.274 54 HG23 THR 8 HG23 THR 8 -1.978 12.235 2.890 55 H SER 9 H SER 9 -0.670 11.391 1.845 56 HA SER 9 HA SER 9 1.416 13.426 1.186 57 HB2 SER 9 HB2 SER 9 2.334 12.613 3.490 58 HB3 SER 9 HB1 SER 9 0.936 13.684 3.467 59 HG SER 9 HG SER 9 -0.161 12.142 4.358 60 H ILE 10 H ILE 10 2.497 10.769 3.067 61 HA ILE 10 HA ILE 10 3.374 9.239 0.689 62 HB ILE 10 HB ILE 10 5.408 10.077 2.755 63 HG12 ILE 10 HG12 ILE 10 4.324 12.088 1.625 64 HG13 ILE 10 HG11 ILE 10 6.063 11.935 1.377 65 HG21 ILE 10 HG21 ILE 10 5.362 8.694 0.116 66 HG22 ILE 10 HG22 ILE 10 6.386 8.400 1.521 67 HG23 ILE 10 HG23 ILE 10 6.737 9.749 0.440 68 HD11 ILE 10 HD11 ILE 10 5.812 11.670 -0.852 69 HD12 ILE 10 HD12 ILE 10 4.137 12.176 -0.626 70 HD13 ILE 10 HD13 ILE 10 4.547 10.461 -0.632 71 H CYS 11 H CYS 11 4.770 7.270 1.607 72 HA CYS 11 HA CYS 11 3.990 6.435 4.309 73 HB2 CYS 11 HB2 CYS 11 2.741 5.268 1.829 74 HB3 CYS 11 HB1 CYS 11 2.957 4.277 3.271 75 H SER 12 H SER 12 5.264 4.689 5.038 76 HA SER 12 HA SER 12 7.697 4.196 3.491 77 HB2 SER 12 HB2 SER 12 7.808 2.467 5.604 78 HB3 SER 12 HB1 SER 12 8.364 4.136 5.662 79 HG SER 12 HG SER 12 6.656 4.664 6.806 80 H LEU 13 H LEU 13 8.213 2.290 2.416 81 HA LEU 13 HA LEU 13 6.161 0.654 1.380 82 HB2 LEU 13 HB2 LEU 13 8.379 0.817 0.343 83 HB3 LEU 13 HB1 LEU 13 9.107 0.034 1.745 84 HG LEU 13 HG LEU 13 6.904 -1.319 0.203 85 HD11 LEU 13 HD11 LEU 13 8.330 -1.173 -1.592 86 HD12 LEU 13 HD12 LEU 13 9.121 -2.517 -0.769 87 HD13 LEU 13 HD13 LEU 13 9.742 -0.878 -0.576 88 HD21 LEU 13 HD21 LEU 13 7.279 -2.703 1.975 89 HD22 LEU 13 HD22 LEU 13 8.844 -1.972 2.332 90 HD23 LEU 13 HD23 LEU 13 8.711 -3.197 1.070 91 H TYR 14 H TYR 14 8.396 0.020 4.040 92 HA TYR 14 HA TYR 14 7.390 -2.567 4.676 93 HB2 TYR 14 HB2 TYR 14 8.132 -1.672 7.146 94 HB3 TYR 14 HB1 TYR 14 9.242 -2.358 5.968 95 HD1 TYR 14 HD2 TYR 14 10.661 -0.895 4.566 96 HD2 TYR 14 HD1 TYR 14 8.119 0.698 7.644 97 HE1 TYR 14 HE2 TYR 14 11.914 1.244 4.492 98 HE2 TYR 14 HE1 TYR 14 9.377 2.835 7.574 99 HH TYR 14 HH TYR 14 12.305 3.185 5.654 100 H GLN 15 H GLN 15 6.132 0.595 5.313 101 HA GLN 15 HA GLN 15 4.250 -0.271 7.341 102 HB2 GLN 15 HB2 GLN 15 3.667 1.945 7.459 103 HB3 GLN 15 HB1 GLN 15 5.213 2.139 6.651 104 HG2 GLN 15 HG2 GLN 15 3.993 3.333 5.141 105 HG3 GLN 15 HG1 GLN 15 3.573 1.746 4.507 106 HE21 GLN 15 HE21 GLN 15 2.433 3.349 7.522 107 HE22 GLN 15 HE22 GLN 15 0.789 3.299 7.100 108 H LEU 16 H LEU 16 4.373 -0.168 3.879 109 HA LEU 16 HA LEU 16 1.559 -0.389 3.351 110 HB2 LEU 16 HB2 LEU 16 4.088 -0.927 1.840 111 HB3 LEU 16 HB1 LEU 16 2.586 -1.602 1.213 112 HG LEU 16 HG LEU 16 3.273 0.745 0.393 113 HD11 LEU 16 HD11 LEU 16 0.690 1.418 1.136 114 HD12 LEU 16 HD12 LEU 16 0.691 -0.342 1.222 115 HD13 LEU 16 HD13 LEU 16 1.136 0.467 -0.280 116 HD21 LEU 16 HD21 LEU 16 2.444 2.573 1.909 117 HD22 LEU 16 HD22 LEU 16 3.879 1.747 2.513 118 HD23 LEU 16 HD23 LEU 16 2.297 1.373 3.193 119 H GLU 17 H GLU 17 4.047 -2.665 4.281 120 HA GLU 17 HA GLU 17 2.839 -5.105 3.543 121 HB2 GLU 17 HB2 GLU 17 4.937 -5.443 4.466 122 HB3 GLU 17 HB1 GLU 17 4.699 -4.223 5.713 123 HG2 GLU 17 HG2 GLU 17 3.651 -5.692 7.146 124 HG3 GLU 17 HG1 GLU 17 2.981 -6.661 5.834 125 H ASN 18 H ASN 18 1.865 -2.749 5.873 126 HA ASN 18 HA ASN 18 0.326 -4.381 7.638 127 HB2 ASN 18 HB2 ASN 18 0.614 -1.537 7.052 128 HB3 ASN 18 HB1 ASN 18 -1.047 -1.964 7.463 129 HD21 ASN 18 HD21 ASN 18 0.325 -0.394 9.305 130 HD22 ASN 18 HD22 ASN 18 0.735 -1.315 10.671 131 H TYR 19 H TYR 19 -0.206 -3.484 4.365 132 HA TYR 19 HA TYR 19 -3.090 -4.203 4.578 133 HB2 TYR 19 HB2 TYR 19 -1.800 -3.155 2.074 134 HB3 TYR 19 HB1 TYR 19 -3.462 -2.967 2.632 135 HD1 TYR 19 HD2 TYR 19 -3.062 -2.125 5.436 136 HD2 TYR 19 HD1 TYR 19 -0.990 -0.940 1.863 137 HE1 TYR 19 HE2 TYR 19 -2.468 0.035 6.499 138 HE2 TYR 19 HE1 TYR 19 -0.394 1.223 2.926 139 HH TYR 19 HH TYR 19 -0.545 1.786 6.157 140 H CYS 20 H CYS 20 -1.457 -6.376 4.864 141 HA CYS 20 HA CYS 20 -1.732 -7.729 2.228 142 HB2 CYS 20 HB2 CYS 20 0.420 -8.383 4.241 143 HB3 CYS 20 HB1 CYS 20 0.304 -8.931 2.569 144 H ASN 21 H ASN 21 -1.936 -7.937 5.712 145 HA ASN 21 HA ASN 21 -3.373 -10.542 5.394 146 HB2 ASN 21 HB2 ASN 21 -1.342 -9.624 7.369 147 HB3 ASN 21 HB1 ASN 21 -2.673 -10.597 7.997 148 HD21 ASN 21 HD21 ASN 21 0.151 -11.462 7.744 149 HD22 ASN 21 HD22 ASN 21 0.148 -12.798 6.697 150 H1 PHE 1 HT1 PHE 1 11.478 1.767 -3.694 151 H2 PHE 1 HT2 PHE 1 10.410 1.470 -4.982 152 H3 PHE 1 HT3 PHE 1 10.372 0.485 -3.598 153 HA PHE 1 HA PHE 1 8.762 2.617 -4.055 154 HB2 PHE 1 HB2 PHE 1 8.879 0.596 -2.291 155 HB3 PHE 1 HB1 PHE 1 9.406 1.905 -1.233 156 HD1 PHE 1 HD1 PHE 1 6.953 1.789 -4.071 157 HD2 PHE 1 HD2 PHE 1 7.609 2.574 0.104 158 HE1 PHE 1 HE1 PHE 1 4.604 2.557 -3.845 159 HE2 PHE 1 HE2 PHE 1 5.259 3.342 0.329 160 HZ PHE 1 HZ PHE 1 3.757 3.334 -1.646 161 H VAL 2 H VAL 2 8.736 4.786 -3.512 162 HA VAL 2 HA VAL 2 11.080 5.833 -1.984 163 HB VAL 2 HB VAL 2 10.714 7.899 -3.600 164 HG11 VAL 2 HG11 VAL 2 12.795 7.223 -4.121 165 HG12 VAL 2 HG12 VAL 2 12.107 6.064 -5.259 166 HG13 VAL 2 HG13 VAL 2 12.420 5.584 -3.591 167 HG21 VAL 2 HG21 VAL 2 9.840 5.572 -5.338 168 HG22 VAL 2 HG22 VAL 2 9.987 7.262 -5.819 169 HG23 VAL 2 HG23 VAL 2 8.729 6.775 -4.683 170 H ASN 3 H ASN 3 10.457 8.412 -1.678 171 HA ASN 3 HA ASN 3 7.925 8.296 -0.146 172 HB2 ASN 3 HB2 ASN 3 10.276 10.187 -0.196 173 HB3 ASN 3 HB1 ASN 3 8.769 10.627 0.607 174 HD21 ASN 3 HD21 ASN 3 11.342 8.127 0.598 175 HD22 ASN 3 HD22 ASN 3 11.097 7.648 2.209 176 H GLN 4 H GLN 4 6.352 8.494 -1.806 177 HA GLN 4 HA GLN 4 6.021 11.230 -2.828 178 HB2 GLN 4 HB2 GLN 4 5.663 10.395 -5.165 179 HB3 GLN 4 HB1 GLN 4 7.331 10.229 -4.619 180 HG2 GLN 4 HG2 GLN 4 7.232 7.946 -4.578 181 HG3 GLN 4 HG1 GLN 4 5.551 7.927 -4.045 182 HE21 GLN 4 HE21 GLN 4 7.646 7.940 -6.871 183 HE22 GLN 4 HE22 GLN 4 6.409 7.756 -8.019 184 H HIS 5 H HIS 5 3.867 11.127 -4.268 185 HA HIS 5 HA HIS 5 1.859 9.841 -2.525 186 HB2 HIS 5 HB2 HIS 5 1.373 11.627 -4.917 187 HB3 HIS 5 HB1 HIS 5 0.252 11.263 -3.607 188 HD2 HIS 5 HD2 HIS 5 3.678 13.221 -4.044 189 HE1 HIS 5 HE1 HIS 5 1.663 14.654 -0.614 190 HE2 HIS 5 HE2 HIS 5 3.699 14.972 -2.119 191 H LEU 6 H LEU 6 0.462 8.213 -3.232 192 HA LEU 6 HA LEU 6 0.525 7.400 -6.055 193 HB2 LEU 6 HB2 LEU 6 1.112 5.055 -5.513 194 HB3 LEU 6 HB1 LEU 6 2.423 6.166 -5.156 195 HG LEU 6 HG LEU 6 2.223 4.549 -3.352 196 HD11 LEU 6 HD11 LEU 6 2.435 7.196 -2.957 197 HD12 LEU 6 HD12 LEU 6 2.450 6.033 -1.634 198 HD13 LEU 6 HD13 LEU 6 0.963 6.892 -2.032 199 HD21 LEU 6 HD21 LEU 6 -0.463 4.539 -3.891 200 HD22 LEU 6 HD22 LEU 6 -0.404 5.456 -2.385 201 HD23 LEU 6 HD23 LEU 6 0.274 3.833 -2.455 202 H CYS 7 H CYS 7 -1.259 6.055 -6.630 203 HA CYS 7 HA CYS 7 -3.175 5.254 -4.547 204 HB2 CYS 7 HB2 CYS 7 -3.845 7.389 -6.594 205 HB3 CYS 7 HB1 CYS 7 -5.044 6.547 -5.614 206 H GLY 8 H GLY 8 -5.199 4.307 -5.718 207 HA2 GLY 8 HA2 GLY 8 -6.011 2.642 -7.146 208 HA3 GLY 8 HA1 GLY 8 -5.217 3.556 -8.424 209 H SER 9 H SER 9 -4.207 2.022 -9.612 210 HA SER 9 HA SER 9 -3.166 -0.438 -8.706 211 HB2 SER 9 HB2 SER 9 -1.926 1.064 -11.001 212 HB3 SER 9 HB1 SER 9 -2.202 -0.667 -10.838 213 HG SER 9 HG SER 9 -4.526 0.018 -10.749 214 H ASP 10 H ASP 10 -1.930 2.721 -8.239 215 HA ASP 10 HA ASP 10 0.855 1.892 -8.003 216 HB2 ASP 10 HB2 ASP 10 -0.435 4.393 -6.885 217 HB3 ASP 10 HB1 ASP 10 1.279 4.140 -7.209 218 H LEU 11 H LEU 11 -1.889 2.244 -5.858 219 HA LEU 11 HA LEU 11 -0.423 1.987 -3.398 220 HB2 LEU 11 HB2 LEU 11 -3.249 1.043 -3.962 221 HB3 LEU 11 HB1 LEU 11 -2.560 1.415 -2.382 222 HG LEU 11 HG LEU 11 -2.490 3.531 -4.491 223 HD11 LEU 11 HD11 LEU 11 -4.783 2.829 -4.668 224 HD12 LEU 11 HD12 LEU 11 -4.768 4.271 -3.654 225 HD13 LEU 11 HD13 LEU 11 -4.932 2.677 -2.919 226 HD21 LEU 11 HD21 LEU 11 -3.250 3.919 -1.624 227 HD22 LEU 11 HD22 LEU 11 -2.282 4.952 -2.672 228 HD23 LEU 11 HD23 LEU 11 -1.580 3.489 -1.983 229 H VAL 12 H VAL 12 -1.564 -0.257 -5.809 230 HA VAL 12 HA VAL 12 -0.842 -2.561 -4.114 231 HB VAL 12 HB VAL 12 -1.338 -3.870 -6.260 232 HG11 VAL 12 HG11 VAL 12 -3.040 -4.098 -4.745 233 HG12 VAL 12 HG12 VAL 12 -3.907 -3.147 -5.950 234 HG13 VAL 12 HG13 VAL 12 -3.223 -2.358 -4.529 235 HG21 VAL 12 HG21 VAL 12 -2.505 -1.188 -7.057 236 HG22 VAL 12 HG22 VAL 12 -2.710 -2.706 -7.928 237 HG23 VAL 12 HG23 VAL 12 -1.116 -1.967 -7.813 238 H GLU 13 H GLU 13 0.327 -0.962 -7.108 239 HA GLU 13 HA GLU 13 2.449 -2.631 -7.757 240 HB2 GLU 13 HB2 GLU 13 2.163 -0.673 -9.096 241 HB3 GLU 13 HB1 GLU 13 2.292 0.390 -7.695 242 HG2 GLU 13 HG2 GLU 13 4.523 0.515 -7.948 243 HG3 GLU 13 HG1 GLU 13 4.657 -1.242 -7.866 244 H ALA 14 H ALA 14 2.104 -0.380 -5.141 245 HA ALA 14 HA ALA 14 4.759 -0.650 -4.040 246 HB1 ALA 14 HB1 ALA 14 3.840 0.542 -2.137 247 HB2 ALA 14 HB2 ALA 14 2.196 0.152 -2.642 248 HB3 ALA 14 HB3 ALA 14 3.175 1.259 -3.604 249 H LEU 15 H LEU 15 1.605 -2.038 -3.219 250 HA LEU 15 HA LEU 15 2.725 -3.799 -1.190 251 HB2 LEU 15 HB2 LEU 15 0.047 -3.302 -2.395 252 HB3 LEU 15 HB1 LEU 15 0.312 -4.887 -1.670 253 HG LEU 15 HG LEU 15 1.342 -2.719 -0.003 254 HD11 LEU 15 HD11 LEU 15 -1.548 -2.702 0.280 255 HD12 LEU 15 HD12 LEU 15 -1.068 -2.143 -1.322 256 HD13 LEU 15 HD13 LEU 15 -0.438 -1.341 0.117 257 HD21 LEU 15 HD21 LEU 15 1.078 -4.955 0.861 258 HD22 LEU 15 HD22 LEU 15 -0.609 -5.012 0.349 259 HD23 LEU 15 HD23 LEU 15 -0.122 -3.945 1.666 260 H TYR 16 H TYR 16 1.039 -4.452 -4.203 261 HA TYR 16 HA TYR 16 1.266 -7.016 -4.795 262 HB2 TYR 16 HB2 TYR 16 0.598 -5.858 -6.656 263 HB3 TYR 16 HB1 TYR 16 1.805 -4.599 -6.436 264 HD1 TYR 16 HD1 TYR 16 1.670 -8.275 -7.177 265 HD2 TYR 16 HD2 TYR 16 3.525 -4.486 -7.988 266 HE1 TYR 16 HE1 TYR 16 3.101 -9.348 -8.900 267 HE2 TYR 16 HE2 TYR 16 4.958 -5.557 -9.712 268 HH TYR 16 HH TYR 16 5.183 -7.441 -11.003 269 H LEU 17 H LEU 17 4.214 -4.935 -4.821 270 HA LEU 17 HA LEU 17 5.761 -7.434 -5.287 271 HB2 LEU 17 HB2 LEU 17 7.673 -5.488 -5.175 272 HB3 LEU 17 HB1 LEU 17 6.877 -6.033 -6.646 273 HG LEU 17 HG LEU 17 5.121 -4.267 -6.243 274 HD11 LEU 17 HD11 LEU 17 5.896 -2.408 -4.699 275 HD12 LEU 17 HD12 LEU 17 7.130 -3.518 -4.108 276 HD13 LEU 17 HD13 LEU 17 5.427 -3.900 -3.888 277 HD21 LEU 17 HD21 LEU 17 7.332 -4.085 -7.661 278 HD22 LEU 17 HD22 LEU 17 7.819 -2.953 -6.399 279 HD23 LEU 17 HD23 LEU 17 6.371 -2.637 -7.356 280 H VAL 18 H VAL 18 5.041 -5.236 -2.665 281 HA VAL 18 HA VAL 18 7.375 -6.088 -1.118 282 HB VAL 18 HB VAL 18 6.487 -4.819 0.703 283 HG11 VAL 18 HG11 VAL 18 6.288 -3.687 -2.032 284 HG12 VAL 18 HG12 VAL 18 7.296 -3.189 -0.676 285 HG13 VAL 18 HG13 VAL 18 5.597 -2.723 -0.726 286 HG21 VAL 18 HG21 VAL 18 4.130 -3.776 0.347 287 HG22 VAL 18 HG22 VAL 18 4.238 -5.447 0.898 288 HG23 VAL 18 HG23 VAL 18 3.901 -5.097 -0.793 289 H CYS 19 H CYS 19 3.937 -6.860 -1.161 290 HA CYS 19 HA CYS 19 4.481 -9.132 0.691 291 HB2 CYS 19 HB2 CYS 19 1.935 -7.674 -0.052 292 HB3 CYS 19 HB1 CYS 19 1.932 -9.195 0.841 293 H GLY 20 H GLY 20 5.076 -9.033 -2.242 294 HA2 GLY 20 HA2 GLY 20 3.246 -10.394 -3.853 295 HA3 GLY 20 HA1 GLY 20 4.992 -10.613 -3.983 296 H GLU 21 H GLU 21 2.655 -12.561 -4.114 297 HA GLU 21 HA GLU 21 2.188 -14.743 -3.388 298 HB2 GLU 21 HB2 GLU 21 4.708 -14.778 -4.038 299 HB3 GLU 21 HB1 GLU 21 4.993 -14.821 -2.299 300 HG2 GLU 21 HG2 GLU 21 4.317 -16.975 -2.128 301 HG3 GLU 21 HG1 GLU 21 2.926 -16.709 -3.180 302 H ARG 22 H ARG 22 2.108 -12.349 -1.428 303 HA ARG 22 HA ARG 22 2.152 -13.982 1.078 304 HB2 ARG 22 HB2 ARG 22 3.438 -11.567 0.560 305 HB3 ARG 22 HB1 ARG 22 1.993 -11.087 1.452 306 HG2 ARG 22 HG2 ARG 22 3.285 -11.589 3.270 307 HG3 ARG 22 HG1 ARG 22 2.758 -13.236 2.919 308 HD2 ARG 22 HD2 ARG 22 4.782 -13.816 1.919 309 HD3 ARG 22 HD1 ARG 22 5.183 -12.144 1.526 310 HE ARG 22 HE ARG 22 5.474 -11.883 4.088 311 HH11 ARG 22 HH21 ARG 22 7.224 -13.818 2.117 312 HH12 ARG 22 HH22 ARG 22 7.772 -14.927 3.331 313 HH21 ARG 22 HH11 ARG 22 5.608 -13.744 5.768 314 HH22 ARG 22 HH12 ARG 22 6.858 -14.885 5.397 315 H GLY 23 H GLY 23 0.013 -13.476 -1.079 316 HA2 GLY 23 HA2 GLY 23 -2.313 -13.169 -1.107 317 HA3 GLY 23 HA1 GLY 23 -2.257 -13.500 0.624 318 H ALA 24 H ALA 24 -2.688 -11.070 -1.750 319 HA ALA 24 HA ALA 24 -2.629 -8.979 0.389 320 HB1 ALA 24 HB1 ALA 24 -2.347 -7.359 -1.542 321 HB2 ALA 24 HB2 ALA 24 -2.100 -8.759 -2.585 322 HB3 ALA 24 HB3 ALA 24 -0.973 -8.431 -1.268 323 H PHE 25 H PHE 25 -3.993 -8.432 -2.782 324 HA PHE 25 HA PHE 25 -6.155 -7.615 -3.280 325 HB2 PHE 25 HB2 PHE 25 -7.865 -9.518 -2.528 326 HB3 PHE 25 HB1 PHE 25 -6.729 -9.776 -3.850 327 HD1 PHE 25 HD1 PHE 25 -7.511 -10.544 -0.332 328 HD2 PHE 25 HD2 PHE 25 -4.755 -11.187 -3.566 329 HE1 PHE 25 HE1 PHE 25 -6.490 -12.431 0.914 330 HE2 PHE 25 HE2 PHE 25 -3.734 -13.075 -2.321 331 HZ PHE 25 HZ PHE 25 -4.600 -13.697 -0.081 332 H TYR 26 H TYR 26 -5.915 -5.889 -1.567 333 HA TYR 26 HA TYR 26 -7.634 -6.422 0.809 334 HB2 TYR 26 HB2 TYR 26 -6.585 -4.465 1.808 335 HB3 TYR 26 HB1 TYR 26 -5.326 -5.542 1.207 336 HD1 TYR 26 HD2 TYR 26 -4.180 -5.040 -0.963 337 HD2 TYR 26 HD1 TYR 26 -6.921 -2.283 0.868 338 HE1 TYR 26 HE2 TYR 26 -3.311 -3.218 -2.405 339 HE2 TYR 26 HE1 TYR 26 -6.051 -0.461 -0.573 340 HH TYR 26 HH TYR 26 -4.211 0.115 -1.896 341 H THR 27 H THR 27 -7.614 -4.870 -2.227 342 HA THR 27 HA THR 27 -10.202 -3.586 -1.573 343 HB THR 27 HB THR 27 -9.307 -1.545 -2.956 344 HG1 THR 27 HG1 THR 27 -7.320 -2.356 -3.498 345 HG21 THR 27 HG21 THR 27 -9.685 -0.698 -0.905 346 HG22 THR 27 HG22 THR 27 -8.000 -1.058 -0.525 347 HG23 THR 27 HG23 THR 27 -9.263 -2.228 -0.137 348 H LYS 28 H LYS 28 -11.533 -3.304 -3.435 349 HA LYS 28 HA LYS 28 -10.425 -4.302 -6.013 350 HB2 LYS 28 HB2 LYS 28 -12.356 -5.663 -4.310 351 HB3 LYS 28 HB1 LYS 28 -13.030 -5.318 -5.903 352 HG2 LYS 28 HG2 LYS 28 -11.857 -7.039 -6.747 353 HG3 LYS 28 HG1 LYS 28 -10.364 -6.205 -6.313 354 HD2 LYS 28 HD2 LYS 28 -10.446 -7.187 -4.063 355 HD3 LYS 28 HD1 LYS 28 -11.964 -7.995 -4.460 356 HE2 LYS 28 HE2 LYS 28 -9.403 -8.423 -6.018 357 HE3 LYS 28 HE1 LYS 28 -9.900 -9.452 -4.675 358 HZ1 LYS 28 HZ1 LYS 28 -10.622 -9.801 -7.254 359 HZ2 LYS 28 HZ2 LYS 28 -11.974 -8.992 -6.617 360 HZ3 LYS 28 HZ3 LYS 28 -11.443 -10.448 -5.918 361 HA PRO 29 HA PRO 29 -12.905 -0.535 -6.680 362 HB2 PRO 29 HB2 PRO 29 -11.167 0.503 -8.540 363 HB3 PRO 29 HB1 PRO 29 -10.993 0.747 -6.794 364 HG2 PRO 29 HG2 PRO 29 -9.426 -1.028 -8.607 365 HG3 PRO 29 HG1 PRO 29 -8.941 -0.279 -7.077 366 HD2 PRO 29 HD2 PRO 29 -9.720 -2.979 -7.428 367 HD3 PRO 29 HD1 PRO 29 -9.555 -2.133 -5.874 368 H THR 30 H THR 30 -14.046 -2.663 -7.727 369 HA THR 30 HA THR 30 -13.879 -2.407 -10.701 370 HB THR 30 HB THR 30 -14.890 -4.642 -10.793 371 HG1 THR 30 HG1 THR 30 -15.182 -4.121 -8.075 372 HG21 THR 30 HG21 THR 30 -12.785 -5.020 -8.723 373 HG22 THR 30 HG22 THR 30 -12.335 -4.111 -10.166 374 HG23 THR 30 HG23 THR 30 -12.943 -5.760 -10.317 Start of MODEL 2 1 H1 GLY 1 HT1 GLY 1 -10.051 2.793 4.751 2 H2 GLY 1 HT2 GLY 1 -11.121 4.090 4.513 3 H3 GLY 1 HT3 GLY 1 -10.295 3.930 5.989 4 HA2 GLY 1 HA1 GLY 1 -8.958 4.495 3.453 5 HA3 GLY 1 HA2 GLY 1 -9.323 5.755 4.670 6 H ILE 2 H ILE 2 -8.176 2.411 3.641 7 HA ILE 2 HA ILE 2 -5.743 2.343 5.129 8 HB ILE 2 HB ILE 2 -6.632 0.302 4.210 9 HG12 ILE 2 HG12 ILE 2 -4.065 0.760 4.254 10 HG13 ILE 2 HG11 ILE 2 -4.651 -0.651 3.380 11 HG21 ILE 2 HG21 ILE 2 -7.842 0.844 2.305 12 HG22 ILE 2 HG22 ILE 2 -6.411 0.104 1.586 13 HG23 ILE 2 HG23 ILE 2 -6.558 1.860 1.651 14 HD11 ILE 2 HD11 ILE 2 -3.817 0.130 1.440 15 HD12 ILE 2 HD12 ILE 2 -3.054 1.429 2.355 16 HD13 ILE 2 HD13 ILE 2 -4.647 1.671 1.644 17 H VAL 3 H VAL 3 -6.604 3.959 2.176 18 HA VAL 3 HA VAL 3 -3.733 4.552 1.630 19 HB VAL 3 HB VAL 3 -4.503 5.330 -0.564 20 HG11 VAL 3 HG11 VAL 3 -5.882 2.706 0.020 21 HG12 VAL 3 HG12 VAL 3 -4.125 2.851 -0.044 22 HG13 VAL 3 HG13 VAL 3 -5.093 3.211 -1.474 23 HG21 VAL 3 HG21 VAL 3 -6.825 5.956 0.615 24 HG22 VAL 3 HG22 VAL 3 -7.279 4.374 -0.021 25 HG23 VAL 3 HG23 VAL 3 -6.722 5.640 -1.117 26 H GLU 4 H GLU 4 -6.284 5.833 3.312 27 HA GLU 4 HA GLU 4 -6.679 8.465 2.709 28 HB2 GLU 4 HB2 GLU 4 -6.896 8.939 5.061 29 HB3 GLU 4 HB1 GLU 4 -7.426 7.276 4.813 30 HG2 GLU 4 HG2 GLU 4 -5.262 6.428 5.552 31 HG3 GLU 4 HG1 GLU 4 -4.636 8.072 5.690 32 H GLN 5 H GLN 5 -3.612 7.071 3.703 33 HA GLN 5 HA GLN 5 -2.418 9.802 3.692 34 HB2 GLN 5 HB2 GLN 5 -0.380 8.173 4.500 35 HB3 GLN 5 HB1 GLN 5 -1.500 8.969 5.603 36 HG2 GLN 5 HG2 GLN 5 -2.973 6.953 5.500 37 HG3 GLN 5 HG1 GLN 5 -1.757 6.154 4.503 38 HE21 GLN 5 HE21 GLN 5 -1.914 4.646 6.571 39 HE22 GLN 5 HE22 GLN 5 -0.825 5.002 7.822 40 H CYS 6 H CYS 6 -1.127 6.582 2.809 41 HA CYS 6 HA CYS 6 0.793 7.294 0.999 42 HB2 CYS 6 HB2 CYS 6 -1.222 5.072 0.570 43 HB3 CYS 6 HB1 CYS 6 0.355 5.193 -0.211 44 H CYS 7 H CYS 7 -2.697 7.384 0.374 45 HA CYS 7 HA CYS 7 -2.376 7.988 -2.444 46 HB2 CYS 7 HB2 CYS 7 -4.597 7.729 -0.545 47 HB3 CYS 7 HB1 CYS 7 -4.853 8.955 -1.779 48 H THR 8 H THR 8 -3.348 10.002 0.364 49 HA THR 8 HA THR 8 -3.032 12.443 -1.225 50 HB THR 8 HB THR 8 -4.770 12.227 0.554 51 HG1 THR 8 HG1 THR 8 -3.538 14.252 -0.083 52 HG21 THR 8 HG21 THR 8 -2.498 12.483 2.525 53 HG22 THR 8 HG22 THR 8 -3.168 10.915 2.075 54 HG23 THR 8 HG23 THR 8 -4.193 12.121 2.854 55 H SER 9 H SER 9 -1.354 10.985 1.581 56 HA SER 9 HA SER 9 0.922 12.838 1.021 57 HB2 SER 9 HB2 SER 9 1.452 11.753 3.479 58 HB3 SER 9 HB1 SER 9 0.644 13.293 3.221 59 HG SER 9 HG SER 9 -0.566 11.900 4.577 60 H ILE 10 H ILE 10 2.913 11.478 2.378 61 HA ILE 10 HA ILE 10 3.285 9.118 0.603 62 HB ILE 10 HB ILE 10 5.482 10.256 2.292 63 HG12 ILE 10 HG12 ILE 10 4.179 12.180 1.210 64 HG13 ILE 10 HG11 ILE 10 5.886 12.074 0.787 65 HG21 ILE 10 HG21 ILE 10 6.302 8.515 1.017 66 HG22 ILE 10 HG22 ILE 10 6.545 9.840 -0.120 67 HG23 ILE 10 HG23 ILE 10 5.144 8.782 -0.286 68 HD11 ILE 10 HD11 ILE 10 3.829 10.681 -0.910 69 HD12 ILE 10 HD12 ILE 10 5.439 11.241 -1.356 70 HD13 ILE 10 HD13 ILE 10 4.136 12.405 -1.125 71 H CYS 11 H CYS 11 4.657 7.318 1.689 72 HA CYS 11 HA CYS 11 4.347 7.045 4.585 73 HB2 CYS 11 HB2 CYS 11 3.006 4.890 4.316 74 HB3 CYS 11 HB1 CYS 11 2.116 6.385 4.035 75 H SER 12 H SER 12 4.828 4.444 4.989 76 HA SER 12 HA SER 12 7.358 3.974 3.477 77 HB2 SER 12 HB2 SER 12 7.431 2.259 5.598 78 HB3 SER 12 HB1 SER 12 8.124 3.877 5.608 79 HG SER 12 HG SER 12 6.482 4.584 6.777 80 H LEU 13 H LEU 13 7.339 2.301 2.040 81 HA LEU 13 HA LEU 13 5.083 0.676 1.595 82 HB2 LEU 13 HB2 LEU 13 6.440 -0.682 0.129 83 HB3 LEU 13 HB1 LEU 13 6.906 0.997 -0.071 84 HG LEU 13 HG LEU 13 8.905 -0.351 -0.024 85 HD11 LEU 13 HD11 LEU 13 10.130 0.663 1.800 86 HD12 LEU 13 HD12 LEU 13 8.636 0.985 2.674 87 HD13 LEU 13 HD13 LEU 13 8.973 1.832 1.168 88 HD21 LEU 13 HD21 LEU 13 7.500 -2.034 1.640 89 HD22 LEU 13 HD22 LEU 13 8.665 -1.304 2.745 90 HD23 LEU 13 HD23 LEU 13 9.227 -2.153 1.304 91 H TYR 14 H TYR 14 7.568 0.355 3.980 92 HA TYR 14 HA TYR 14 7.096 -2.467 4.464 93 HB2 TYR 14 HB2 TYR 14 8.356 -2.146 6.552 94 HB3 TYR 14 HB1 TYR 14 9.208 -1.422 5.193 95 HD1 TYR 14 HD1 TYR 14 6.611 -0.462 7.752 96 HD2 TYR 14 HD2 TYR 14 10.069 0.709 5.481 97 HE1 TYR 14 HE1 TYR 14 6.653 1.715 8.936 98 HE2 TYR 14 HE2 TYR 14 10.111 2.887 6.668 99 HH TYR 14 HH TYR 14 8.024 4.314 7.965 100 H GLN 15 H GLN 15 5.669 0.523 5.467 101 HA GLN 15 HA GLN 15 4.085 -0.660 7.596 102 HB2 GLN 15 HB2 GLN 15 3.266 1.507 7.909 103 HB3 GLN 15 HB1 GLN 15 4.852 1.823 7.226 104 HG2 GLN 15 HG2 GLN 15 3.769 3.082 5.695 105 HG3 GLN 15 HG1 GLN 15 3.260 1.554 4.985 106 HE21 GLN 15 HE21 GLN 15 1.451 0.754 7.128 107 HE22 GLN 15 HE22 GLN 15 0.124 1.810 7.088 108 H LEU 16 H LEU 16 3.926 -0.332 4.171 109 HA LEU 16 HA LEU 16 1.064 -0.625 3.860 110 HB2 LEU 16 HB2 LEU 16 3.466 -0.879 2.075 111 HB3 LEU 16 HB1 LEU 16 1.922 -1.522 1.520 112 HG LEU 16 HG LEU 16 2.508 0.927 0.918 113 HD11 LEU 16 HD11 LEU 16 -0.002 -0.283 1.872 114 HD12 LEU 16 HD12 LEU 16 0.332 0.579 0.370 115 HD13 LEU 16 HD13 LEU 16 -0.011 1.480 1.847 116 HD21 LEU 16 HD21 LEU 16 1.808 2.549 2.682 117 HD22 LEU 16 HD22 LEU 16 3.260 1.651 3.119 118 HD23 LEU 16 HD23 LEU 16 1.705 1.213 3.827 119 H GLU 17 H GLU 17 3.727 -2.785 4.433 120 HA GLU 17 HA GLU 17 2.691 -5.232 3.486 121 HB2 GLU 17 HB2 GLU 17 4.141 -6.293 5.065 122 HB3 GLU 17 HB1 GLU 17 4.947 -4.796 4.599 123 HG2 GLU 17 HG2 GLU 17 3.754 -3.751 6.642 124 HG3 GLU 17 HG1 GLU 17 3.478 -5.416 7.157 125 H ASN 18 H ASN 18 1.721 -3.222 6.110 126 HA ASN 18 HA ASN 18 0.305 -5.111 7.718 127 HB2 ASN 18 HB2 ASN 18 0.835 -2.456 7.931 128 HB3 ASN 18 HB1 ASN 18 -0.864 -2.400 7.462 129 HD21 ASN 18 HD21 ASN 18 1.307 -4.057 9.818 130 HD22 ASN 18 HD22 ASN 18 0.136 -4.167 11.043 131 H TYR 19 H TYR 19 -0.348 -3.978 4.573 132 HA TYR 19 HA TYR 19 -3.236 -4.653 4.814 133 HB2 TYR 19 HB2 TYR 19 -1.934 -3.508 2.354 134 HB3 TYR 19 HB1 TYR 19 -3.610 -3.371 2.882 135 HD1 TYR 19 HD2 TYR 19 -2.759 -2.846 5.873 136 HD2 TYR 19 HD1 TYR 19 -1.684 -1.070 2.111 137 HE1 TYR 19 HE2 TYR 19 -2.215 -0.721 7.032 138 HE2 TYR 19 HE1 TYR 19 -1.141 1.055 3.269 139 HH TYR 19 HH TYR 19 -0.727 1.977 5.319 140 H CYS 20 H CYS 20 -1.076 -6.670 4.785 141 HA CYS 20 HA CYS 20 -1.725 -8.019 2.207 142 HB2 CYS 20 HB2 CYS 20 0.759 -7.847 3.827 143 HB3 CYS 20 HB1 CYS 20 0.407 -9.416 3.104 144 H ASN 21 H ASN 21 -1.455 -10.559 2.580 145 HA ASN 21 HA ASN 21 -3.363 -11.221 4.727 146 HB2 ASN 21 HB2 ASN 21 -2.349 -12.539 2.262 147 HB3 ASN 21 HB1 ASN 21 -2.814 -13.609 3.587 148 HD21 ASN 21 HD21 ASN 21 -4.647 -14.234 2.045 149 HD22 ASN 21 HD22 ASN 21 -6.036 -13.260 2.022 150 H1 PHE 1 HT1 PHE 1 11.258 1.394 -1.176 151 H2 PHE 1 HT2 PHE 1 12.053 2.133 -2.483 152 H3 PHE 1 HT3 PHE 1 11.203 0.680 -2.713 153 HA PHE 1 HA PHE 1 9.482 1.905 -3.356 154 HB2 PHE 1 HB2 PHE 1 9.196 1.427 -0.744 155 HB3 PHE 1 HB1 PHE 1 9.276 3.187 -0.664 156 HD1 PHE 1 HD1 PHE 1 7.863 0.967 -3.324 157 HD2 PHE 1 HD2 PHE 1 7.065 3.907 -0.293 158 HE1 PHE 1 HE1 PHE 1 5.507 1.109 -4.083 159 HE2 PHE 1 HE2 PHE 1 4.709 4.048 -1.050 160 HZ PHE 1 HZ PHE 1 3.929 2.651 -2.947 161 H VAL 2 H VAL 2 8.455 4.339 -3.009 162 HA VAL 2 HA VAL 2 10.751 6.227 -3.337 163 HB VAL 2 HB VAL 2 9.197 7.428 -4.983 164 HG11 VAL 2 HG11 VAL 2 9.881 5.988 -6.834 165 HG12 VAL 2 HG12 VAL 2 10.132 4.639 -5.725 166 HG13 VAL 2 HG13 VAL 2 11.179 6.056 -5.640 167 HG21 VAL 2 HG21 VAL 2 7.851 4.709 -4.966 168 HG22 VAL 2 HG22 VAL 2 7.432 6.085 -5.987 169 HG23 VAL 2 HG23 VAL 2 7.161 6.164 -4.247 170 H ASN 3 H ASN 3 9.849 8.597 -3.171 171 HA ASN 3 HA ASN 3 8.002 8.660 -0.820 172 HB2 ASN 3 HB2 ASN 3 10.198 10.575 -1.663 173 HB3 ASN 3 HB1 ASN 3 9.091 10.867 -0.321 174 HD21 ASN 3 HD21 ASN 3 11.744 8.769 -1.431 175 HD22 ASN 3 HD22 ASN 3 12.096 8.121 0.097 176 H GLN 4 H GLN 4 6.238 8.607 -2.505 177 HA GLN 4 HA GLN 4 5.504 11.372 -3.219 178 HB2 GLN 4 HB2 GLN 4 4.816 10.391 -5.559 179 HB3 GLN 4 HB1 GLN 4 6.483 10.903 -5.290 180 HG2 GLN 4 HG2 GLN 4 7.080 8.561 -4.698 181 HG3 GLN 4 HG1 GLN 4 5.426 8.070 -5.067 182 HE21 GLN 4 HE21 GLN 4 4.796 9.294 -7.410 183 HE22 GLN 4 HE22 GLN 4 5.907 8.914 -8.636 184 H HIS 5 H HIS 5 3.229 10.968 -4.593 185 HA HIS 5 HA HIS 5 1.588 9.388 -2.680 186 HB2 HIS 5 HB2 HIS 5 0.442 11.205 -4.783 187 HB3 HIS 5 HB1 HIS 5 -0.197 10.807 -3.187 188 HD2 HIS 5 HD2 HIS 5 2.581 13.126 -4.757 189 HE1 HIS 5 HE1 HIS 5 1.937 14.273 -0.740 190 HE2 HIS 5 HE2 HIS 5 3.145 14.866 -2.908 191 H LEU 6 H LEU 6 0.165 7.771 -3.430 192 HA LEU 6 HA LEU 6 0.041 7.220 -6.313 193 HB2 LEU 6 HB2 LEU 6 0.794 4.865 -6.015 194 HB3 LEU 6 HB1 LEU 6 2.067 6.034 -5.710 195 HG LEU 6 HG LEU 6 2.131 4.269 -4.024 196 HD11 LEU 6 HD11 LEU 6 2.529 5.655 -2.261 197 HD12 LEU 6 HD12 LEU 6 0.963 6.454 -2.397 198 HD13 LEU 6 HD13 LEU 6 2.282 6.905 -3.479 199 HD21 LEU 6 HD21 LEU 6 -0.570 4.139 -4.268 200 HD22 LEU 6 HD22 LEU 6 -0.427 5.042 -2.760 201 HD23 LEU 6 HD23 LEU 6 0.324 3.456 -2.911 202 H CYS 7 H CYS 7 -1.667 5.695 -6.847 203 HA CYS 7 HA CYS 7 -3.389 4.748 -4.650 204 HB2 CYS 7 HB2 CYS 7 -4.380 6.748 -6.704 205 HB3 CYS 7 HB1 CYS 7 -5.392 5.906 -5.531 206 H GLY 8 H GLY 8 -5.384 3.624 -5.665 207 HA2 GLY 8 HA2 GLY 8 -6.157 1.878 -7.016 208 HA3 GLY 8 HA1 GLY 8 -5.545 2.843 -8.356 209 H SER 9 H SER 9 -4.499 1.382 -9.612 210 HA SER 9 HA SER 9 -3.182 -0.965 -8.779 211 HB2 SER 9 HB2 SER 9 -3.621 -0.789 -11.093 212 HB3 SER 9 HB1 SER 9 -2.872 0.801 -11.202 213 HG SER 9 HG SER 9 -1.540 -0.905 -12.016 214 H ASP 10 H ASP 10 -2.197 2.302 -8.433 215 HA ASP 10 HA ASP 10 0.656 1.746 -8.360 216 HB2 ASP 10 HB2 ASP 10 -0.720 4.102 -7.063 217 HB3 ASP 10 HB1 ASP 10 0.929 4.018 -7.684 218 H LEU 11 H LEU 11 -1.949 1.885 -6.009 219 HA LEU 11 HA LEU 11 -0.291 1.742 -3.673 220 HB2 LEU 11 HB2 LEU 11 -3.050 0.536 -4.004 221 HB3 LEU 11 HB1 LEU 11 -2.274 1.003 -2.492 222 HG LEU 11 HG LEU 11 -2.568 3.081 -4.621 223 HD11 LEU 11 HD11 LEU 11 -4.833 3.626 -3.590 224 HD12 LEU 11 HD12 LEU 11 -4.797 2.015 -2.872 225 HD13 LEU 11 HD13 LEU 11 -4.797 2.198 -4.626 226 HD21 LEU 11 HD21 LEU 11 -1.476 3.145 -2.182 227 HD22 LEU 11 HD22 LEU 11 -3.146 3.453 -1.713 228 HD23 LEU 11 HD23 LEU 11 -2.335 4.537 -2.840 229 H VAL 12 H VAL 12 -1.448 -0.634 -5.972 230 HA VAL 12 HA VAL 12 -0.439 -2.852 -4.343 231 HB VAL 12 HB VAL 12 -0.745 -4.193 -6.484 232 HG11 VAL 12 HG11 VAL 12 -2.440 -4.575 -4.995 233 HG12 VAL 12 HG12 VAL 12 -3.372 -3.782 -6.265 234 HG13 VAL 12 HG13 VAL 12 -2.846 -2.865 -4.854 235 HG21 VAL 12 HG21 VAL 12 -2.085 -1.619 -7.350 236 HG22 VAL 12 HG22 VAL 12 -2.219 -3.165 -8.184 237 HG23 VAL 12 HG23 VAL 12 -0.658 -2.354 -8.080 238 H GLU 13 H GLU 13 0.617 -1.068 -7.265 239 HA GLU 13 HA GLU 13 2.891 -2.497 -7.952 240 HB2 GLU 13 HB2 GLU 13 2.513 -0.525 -9.208 241 HB3 GLU 13 HB1 GLU 13 2.406 0.477 -7.760 242 HG2 GLU 13 HG2 GLU 13 4.631 0.839 -7.742 243 HG3 GLU 13 HG1 GLU 13 4.977 -0.880 -7.936 244 H ALA 14 H ALA 14 2.256 -0.578 -5.158 245 HA ALA 14 HA ALA 14 4.947 -0.695 -4.048 246 HB1 ALA 14 HB1 ALA 14 2.385 -0.091 -2.569 247 HB2 ALA 14 HB2 ALA 14 3.149 1.098 -3.624 248 HB3 ALA 14 HB3 ALA 14 4.009 0.493 -2.207 249 H LEU 15 H LEU 15 1.828 -1.985 -2.970 250 HA LEU 15 HA LEU 15 2.979 -3.887 -1.137 251 HB2 LEU 15 HB2 LEU 15 0.281 -3.239 -2.202 252 HB3 LEU 15 HB1 LEU 15 0.497 -4.870 -1.571 253 HG LEU 15 HG LEU 15 1.680 -2.825 0.161 254 HD11 LEU 15 HD11 LEU 15 -0.479 -1.948 0.982 255 HD12 LEU 15 HD12 LEU 15 -1.322 -2.822 -0.297 256 HD13 LEU 15 HD13 LEU 15 -0.221 -1.505 -0.706 257 HD21 LEU 15 HD21 LEU 15 1.176 -4.416 1.690 258 HD22 LEU 15 HD22 LEU 15 0.658 -5.419 0.336 259 HD23 LEU 15 HD23 LEU 15 -0.520 -4.437 1.204 260 H TYR 16 H TYR 16 2.950 -3.880 -4.453 261 HA TYR 16 HA TYR 16 2.413 -6.717 -4.898 262 HB2 TYR 16 HB2 TYR 16 1.728 -5.588 -6.774 263 HB3 TYR 16 HB1 TYR 16 2.905 -4.300 -6.555 264 HD1 TYR 16 HD1 TYR 16 2.714 -7.928 -7.462 265 HD2 TYR 16 HD2 TYR 16 4.758 -4.180 -7.937 266 HE1 TYR 16 HE1 TYR 16 4.187 -8.950 -9.183 267 HE2 TYR 16 HE2 TYR 16 6.233 -5.198 -9.657 268 HH TYR 16 HH TYR 16 6.748 -7.039 -10.780 269 H LEU 17 H LEU 17 5.263 -4.562 -4.990 270 HA LEU 17 HA LEU 17 6.964 -6.956 -5.383 271 HB2 LEU 17 HB2 LEU 17 8.729 -4.870 -5.169 272 HB3 LEU 17 HB1 LEU 17 8.058 -5.479 -6.673 273 HG LEU 17 HG LEU 17 6.153 -3.844 -6.389 274 HD11 LEU 17 HD11 LEU 17 7.342 -3.549 -3.844 275 HD12 LEU 17 HD12 LEU 17 5.980 -2.638 -4.498 276 HD13 LEU 17 HD13 LEU 17 7.624 -2.030 -4.693 277 HD21 LEU 17 HD21 LEU 17 8.793 -2.396 -6.435 278 HD22 LEU 17 HD22 LEU 17 7.354 -2.105 -7.414 279 HD23 LEU 17 HD23 LEU 17 8.362 -3.518 -7.726 280 H VAL 18 H VAL 18 5.751 -5.119 -2.830 281 HA VAL 18 HA VAL 18 8.049 -5.622 -1.054 282 HB VAL 18 HB VAL 18 6.839 -4.456 0.633 283 HG11 VAL 18 HG11 VAL 18 6.666 -3.384 -2.126 284 HG12 VAL 18 HG12 VAL 18 7.428 -2.689 -0.695 285 HG13 VAL 18 HG13 VAL 18 5.682 -2.564 -0.915 286 HG21 VAL 18 HG21 VAL 18 4.399 -3.884 0.276 287 HG22 VAL 18 HG22 VAL 18 4.725 -5.598 0.536 288 HG23 VAL 18 HG23 VAL 18 4.416 -4.996 -1.091 289 H CYS 19 H CYS 19 4.743 -6.751 -1.508 290 HA CYS 19 HA CYS 19 5.129 -8.876 0.508 291 HB2 CYS 19 HB2 CYS 19 2.825 -7.671 -0.915 292 HB3 CYS 19 HB1 CYS 19 2.692 -9.396 -0.581 293 H GLY 20 H GLY 20 3.911 -8.848 -2.867 294 HA2 GLY 20 HA2 GLY 20 4.259 -10.384 -4.606 295 HA3 GLY 20 HA1 GLY 20 5.803 -10.754 -3.836 296 H GLU 21 H GLU 21 2.683 -11.935 -4.499 297 HA GLU 21 HA GLU 21 1.615 -13.944 -3.929 298 HB2 GLU 21 HB2 GLU 21 3.965 -14.739 -4.610 299 HB3 GLU 21 HB1 GLU 21 4.290 -14.861 -2.881 300 HG2 GLU 21 HG2 GLU 21 1.776 -16.082 -3.289 301 HG3 GLU 21 HG1 GLU 21 2.827 -16.684 -4.572 302 H ARG 22 H ARG 22 2.325 -11.741 -1.818 303 HA ARG 22 HA ARG 22 2.091 -13.377 0.646 304 HB2 ARG 22 HB2 ARG 22 3.466 -11.055 0.125 305 HB3 ARG 22 HB1 ARG 22 2.004 -10.440 0.895 306 HG2 ARG 22 HG2 ARG 22 3.015 -10.943 2.856 307 HG3 ARG 22 HG1 ARG 22 2.657 -12.625 2.467 308 HD2 ARG 22 HD2 ARG 22 5.162 -11.230 1.501 309 HD3 ARG 22 HD1 ARG 22 5.096 -12.120 3.022 310 HE ARG 22 HE ARG 22 4.704 -13.351 0.328 311 HH11 ARG 22 HH21 ARG 22 7.211 -13.867 1.874 312 HH12 ARG 22 HH22 ARG 22 6.853 -15.368 2.663 313 HH21 ARG 22 HH11 ARG 22 3.434 -15.136 2.132 314 HH22 ARG 22 HH12 ARG 22 4.716 -16.086 2.807 315 H GLY 23 H GLY 23 -0.056 -12.739 -1.533 316 HA2 GLY 23 HA2 GLY 23 -2.385 -12.464 -1.508 317 HA3 GLY 23 HA1 GLY 23 -2.306 -12.737 0.233 318 H ALA 24 H ALA 24 -4.127 -10.941 -0.314 319 HA ALA 24 HA ALA 24 -3.515 -8.611 1.044 320 HB1 ALA 24 HB1 ALA 24 -3.354 -7.047 -1.091 321 HB2 ALA 24 HB2 ALA 24 -2.667 -8.494 -1.828 322 HB3 ALA 24 HB3 ALA 24 -1.904 -7.780 -0.408 323 H PHE 25 H PHE 25 -5.468 -7.664 1.434 324 HA PHE 25 HA PHE 25 -7.514 -7.621 -0.696 325 HB2 PHE 25 HB2 PHE 25 -9.227 -8.581 0.807 326 HB3 PHE 25 HB1 PHE 25 -7.925 -9.733 0.510 327 HD1 PHE 25 HD2 PHE 25 -5.898 -9.596 2.219 328 HD2 PHE 25 HD1 PHE 25 -9.876 -8.176 3.012 329 HE1 PHE 25 HE2 PHE 25 -5.460 -9.734 4.657 330 HE2 PHE 25 HE1 PHE 25 -9.439 -8.315 5.452 331 HZ PHE 25 HZ PHE 25 -7.231 -9.094 6.273 332 H TYR 26 H TYR 26 -7.947 -5.463 -0.750 333 HA TYR 26 HA TYR 26 -8.323 -4.068 1.871 334 HB2 TYR 26 HB2 TYR 26 -7.741 -1.978 0.483 335 HB3 TYR 26 HB1 TYR 26 -6.417 -3.078 0.865 336 HD1 TYR 26 HD1 TYR 26 -8.665 -1.855 -1.784 337 HD2 TYR 26 HD2 TYR 26 -5.415 -4.505 -0.842 338 HE1 TYR 26 HE1 TYR 26 -8.223 -2.174 -4.205 339 HE2 TYR 26 HE2 TYR 26 -4.974 -4.824 -3.264 340 HH TYR 26 HH TYR 26 -6.456 -2.853 -5.677 341 H THR 27 H THR 27 -9.919 -5.247 -0.793 342 HA THR 27 HA THR 27 -11.788 -3.035 -1.193 343 HB THR 27 HB THR 27 -12.976 -4.577 -2.661 344 HG1 THR 27 HG1 THR 27 -12.962 -6.499 -1.721 345 HG21 THR 27 HG21 THR 27 -11.175 -5.118 -4.216 346 HG22 THR 27 HG22 THR 27 -9.984 -4.980 -2.923 347 HG23 THR 27 HG23 THR 27 -10.859 -3.551 -3.474 348 H LYS 28 H LYS 28 -14.035 -3.085 -0.555 349 HA LYS 28 HA LYS 28 -14.596 -4.944 1.721 350 HB2 LYS 28 HB2 LYS 28 -15.684 -2.133 1.522 351 HB3 LYS 28 HB1 LYS 28 -15.633 -3.186 2.935 352 HG2 LYS 28 HG2 LYS 28 -12.966 -3.000 2.134 353 HG3 LYS 28 HG1 LYS 28 -13.596 -1.366 1.921 354 HD2 LYS 28 HD2 LYS 28 -13.895 -3.019 4.446 355 HD3 LYS 28 HD1 LYS 28 -12.710 -1.732 4.216 356 HE2 LYS 28 HE2 LYS 28 -14.271 -0.274 4.933 357 HE3 LYS 28 HE1 LYS 28 -15.168 -0.607 3.451 358 HZ1 LYS 28 HZ1 LYS 28 -16.468 -2.197 4.497 359 HZ2 LYS 28 HZ2 LYS 28 -16.332 -0.984 5.678 360 HZ3 LYS 28 HZ3 LYS 28 -15.387 -2.392 5.790 361 HA PRO 29 HA PRO 29 -17.923 -5.580 -1.316 362 HB2 PRO 29 HB2 PRO 29 -18.147 -8.268 -0.779 363 HB3 PRO 29 HB1 PRO 29 -16.989 -7.595 -1.940 364 HG2 PRO 29 HG2 PRO 29 -16.491 -8.674 0.795 365 HG3 PRO 29 HG1 PRO 29 -15.394 -8.582 -0.592 366 HD2 PRO 29 HD2 PRO 29 -15.400 -6.836 1.637 367 HD3 PRO 29 HD1 PRO 29 -14.539 -6.574 0.106 368 H THR 30 H THR 30 -19.327 -4.333 0.150 369 HA THR 30 HA THR 30 -20.805 -6.071 2.087 370 HB THR 30 HB THR 30 -21.309 -3.935 3.321 371 HG1 THR 30 HG1 THR 30 -20.708 -2.688 1.349 372 HG21 THR 30 HG21 THR 30 -18.417 -4.755 2.957 373 HG22 THR 30 HG22 THR 30 -19.553 -5.367 4.159 374 HG23 THR 30 HG23 THR 30 -18.982 -3.701 4.254 Start of MODEL 3 1 H1 GLY 1 HT1 GLY 1 -8.935 5.436 2.662 2 H2 GLY 1 HT2 GLY 1 -10.599 5.496 2.993 3 H3 GLY 1 HT3 GLY 1 -9.898 4.060 2.416 4 HA2 GLY 1 HA1 GLY 1 -9.216 5.203 5.015 5 HA3 GLY 1 HA2 GLY 1 -10.450 3.919 4.831 6 H ILE 2 H ILE 2 -7.893 3.107 3.018 7 HA ILE 2 HA ILE 2 -5.978 2.699 5.270 8 HB ILE 2 HB ILE 2 -6.851 0.660 4.139 9 HG12 ILE 2 HG12 ILE 2 -4.724 -0.421 3.903 10 HG13 ILE 2 HG11 ILE 2 -3.933 1.090 3.449 11 HG21 ILE 2 HG21 ILE 2 -6.827 2.073 1.865 12 HG22 ILE 2 HG22 ILE 2 -6.693 0.314 1.864 13 HG23 ILE 2 HG23 ILE 2 -5.246 1.309 1.708 14 HD11 ILE 2 HD11 ILE 2 -5.324 1.106 6.067 15 HD12 ILE 2 HD12 ILE 2 -3.775 1.812 5.610 16 HD13 ILE 2 HD13 ILE 2 -3.887 0.090 5.970 17 H VAL 3 H VAL 3 -6.331 4.099 2.083 18 HA VAL 3 HA VAL 3 -3.421 4.683 1.965 19 HB VAL 3 HB VAL 3 -3.767 5.277 -0.320 20 HG11 VAL 3 HG11 VAL 3 -3.822 2.925 -0.195 21 HG12 VAL 3 HG12 VAL 3 -5.266 3.319 -1.127 22 HG13 VAL 3 HG13 VAL 3 -5.404 2.916 0.583 23 HG21 VAL 3 HG21 VAL 3 -6.033 5.529 -1.283 24 HG22 VAL 3 HG22 VAL 3 -5.767 6.684 0.023 25 HG23 VAL 3 HG23 VAL 3 -6.737 5.240 0.307 26 H GLU 4 H GLU 4 -6.044 6.041 3.387 27 HA GLU 4 HA GLU 4 -6.345 8.672 2.705 28 HB2 GLU 4 HB2 GLU 4 -6.328 9.164 5.234 29 HB3 GLU 4 HB1 GLU 4 -7.464 7.941 4.664 30 HG2 GLU 4 HG2 GLU 4 -6.459 6.334 5.882 31 HG3 GLU 4 HG1 GLU 4 -4.873 6.764 5.240 32 H GLN 5 H GLN 5 -3.412 7.226 3.998 33 HA GLN 5 HA GLN 5 -2.147 9.924 3.992 34 HB2 GLN 5 HB2 GLN 5 -0.234 8.480 5.125 35 HB3 GLN 5 HB1 GLN 5 -1.618 9.030 6.069 36 HG2 GLN 5 HG2 GLN 5 -2.743 6.872 5.704 37 HG3 GLN 5 HG1 GLN 5 -1.379 6.318 4.732 38 HE21 GLN 5 HE21 GLN 5 -2.150 4.940 7.125 39 HE22 GLN 5 HE22 GLN 5 -0.916 5.137 8.275 40 H CYS 6 H CYS 6 -1.535 6.565 2.896 41 HA CYS 6 HA CYS 6 0.809 7.168 1.397 42 HB2 CYS 6 HB2 CYS 6 -1.233 5.097 0.586 43 HB3 CYS 6 HB1 CYS 6 0.516 5.047 0.361 44 H CYS 7 H CYS 7 -2.595 7.607 0.704 45 HA CYS 7 HA CYS 7 -2.161 8.158 -2.132 46 HB2 CYS 7 HB2 CYS 7 -4.447 7.958 -0.308 47 HB3 CYS 7 HB1 CYS 7 -4.613 9.228 -1.515 48 H THR 8 H THR 8 -3.395 10.198 0.544 49 HA THR 8 HA THR 8 -2.947 12.655 -0.870 50 HB THR 8 HB THR 8 -4.480 12.331 1.124 51 HG1 THR 8 HG1 THR 8 -2.578 14.373 0.878 52 HG21 THR 8 HG21 THR 8 -1.971 12.705 2.759 53 HG22 THR 8 HG22 THR 8 -2.625 11.103 2.417 54 HG23 THR 8 HG23 THR 8 -3.586 12.276 3.319 55 H SER 9 H SER 9 -0.999 10.871 1.517 56 HA SER 9 HA SER 9 1.263 12.717 0.863 57 HB2 SER 9 HB2 SER 9 2.004 11.491 3.201 58 HB3 SER 9 HB1 SER 9 1.254 13.077 3.097 59 HG SER 9 HG SER 9 0.292 11.213 4.443 60 H ILE 10 H ILE 10 3.313 11.180 1.973 61 HA ILE 10 HA ILE 10 3.495 9.037 -0.055 62 HB ILE 10 HB ILE 10 5.710 9.697 1.858 63 HG12 ILE 10 HG12 ILE 10 4.778 11.889 1.147 64 HG13 ILE 10 HG11 ILE 10 6.370 11.605 0.447 65 HG21 ILE 10 HG21 ILE 10 6.863 8.472 0.363 66 HG22 ILE 10 HG22 ILE 10 6.395 9.575 -0.931 67 HG23 ILE 10 HG23 ILE 10 5.368 8.198 -0.531 68 HD11 ILE 10 HD11 ILE 10 5.381 12.098 -1.534 69 HD12 ILE 10 HD12 ILE 10 3.760 11.851 -0.885 70 HD13 ILE 10 HD13 ILE 10 4.710 10.470 -1.433 71 H CYS 11 H CYS 11 4.696 6.978 0.784 72 HA CYS 11 HA CYS 11 3.977 6.290 3.569 73 HB2 CYS 11 HB2 CYS 11 2.477 5.410 1.221 74 HB3 CYS 11 HB1 CYS 11 3.099 4.054 2.162 75 H SER 12 H SER 12 4.527 3.655 3.632 76 HA SER 12 HA SER 12 7.211 3.391 2.338 77 HB2 SER 12 HB2 SER 12 7.705 2.034 4.528 78 HB3 SER 12 HB1 SER 12 7.809 3.793 4.553 79 HG SER 12 HG SER 12 6.071 3.880 5.760 80 H LEU 13 H LEU 13 7.790 1.227 1.765 81 HA LEU 13 HA LEU 13 5.566 -0.442 1.029 82 HB2 LEU 13 HB2 LEU 13 7.594 -2.177 0.769 83 HB3 LEU 13 HB1 LEU 13 7.283 -0.912 -0.415 84 HG LEU 13 HG LEU 13 8.986 0.502 0.553 85 HD11 LEU 13 HD11 LEU 13 10.365 -0.694 2.481 86 HD12 LEU 13 HD12 LEU 13 8.820 -1.479 2.790 87 HD13 LEU 13 HD13 LEU 13 8.948 0.280 2.861 88 HD21 LEU 13 HD21 LEU 13 9.695 -1.384 -0.947 89 HD22 LEU 13 HD22 LEU 13 10.048 -2.332 0.497 90 HD23 LEU 13 HD23 LEU 13 10.954 -0.855 0.169 91 H TYR 14 H TYR 14 7.549 -0.280 3.879 92 HA TYR 14 HA TYR 14 6.863 -2.972 4.727 93 HB2 TYR 14 HB2 TYR 14 7.828 -2.222 6.949 94 HB3 TYR 14 HB1 TYR 14 8.935 -2.119 5.583 95 HD1 TYR 14 HD1 TYR 14 6.422 -0.058 7.458 96 HD2 TYR 14 HD2 TYR 14 10.050 -0.110 5.155 97 HE1 TYR 14 HE1 TYR 14 6.738 2.363 7.899 98 HE2 TYR 14 HE2 TYR 14 10.367 2.311 5.596 99 HH TYR 14 HH TYR 14 8.272 4.331 6.353 100 H GLN 15 H GLN 15 5.675 0.270 5.290 101 HA GLN 15 HA GLN 15 3.770 -0.520 7.314 102 HB2 GLN 15 HB2 GLN 15 3.217 1.719 7.378 103 HB3 GLN 15 HB1 GLN 15 4.800 1.843 6.631 104 HG2 GLN 15 HG2 GLN 15 3.836 2.051 4.438 105 HG3 GLN 15 HG1 GLN 15 2.226 1.660 5.041 106 HE21 GLN 15 HE21 GLN 15 1.024 3.337 6.117 107 HE22 GLN 15 HE22 GLN 15 1.564 4.945 6.182 108 H LEU 16 H LEU 16 3.741 -0.088 3.831 109 HA LEU 16 HA LEU 16 0.968 -0.411 3.352 110 HB2 LEU 16 HB2 LEU 16 3.483 -0.770 1.785 111 HB3 LEU 16 HB1 LEU 16 2.022 -1.521 1.145 112 HG LEU 16 HG LEU 16 0.861 0.674 1.373 113 HD11 LEU 16 HD11 LEU 16 3.509 2.019 1.630 114 HD12 LEU 16 HD12 LEU 16 2.749 1.395 3.092 115 HD13 LEU 16 HD13 LEU 16 1.911 2.590 2.106 116 HD21 LEU 16 HD21 LEU 16 2.254 1.802 -0.486 117 HD22 LEU 16 HD22 LEU 16 1.647 0.179 -0.812 118 HD23 LEU 16 HD23 LEU 16 3.330 0.413 -0.341 119 H GLU 17 H GLU 17 3.472 -2.720 4.161 120 HA GLU 17 HA GLU 17 2.262 -5.118 3.272 121 HB2 GLU 17 HB2 GLU 17 4.328 -5.591 4.168 122 HB3 GLU 17 HB1 GLU 17 4.187 -4.349 5.409 123 HG2 GLU 17 HG2 GLU 17 2.673 -5.779 6.704 124 HG3 GLU 17 HG1 GLU 17 2.736 -7.012 5.446 125 H ASN 18 H ASN 18 1.346 -2.893 5.742 126 HA ASN 18 HA ASN 18 -0.241 -4.613 7.389 127 HB2 ASN 18 HB2 ASN 18 0.486 -1.973 7.471 128 HB3 ASN 18 HB1 ASN 18 -1.219 -1.853 7.034 129 HD21 ASN 18 HD21 ASN 18 0.917 -3.521 9.412 130 HD22 ASN 18 HD22 ASN 18 -0.227 -3.516 10.665 131 H TYR 19 H TYR 19 -0.752 -3.287 4.249 132 HA TYR 19 HA TYR 19 -3.668 -3.634 4.335 133 HB2 TYR 19 HB2 TYR 19 -2.048 -3.207 1.829 134 HB3 TYR 19 HB1 TYR 19 -3.703 -2.707 2.165 135 HD1 TYR 19 HD2 TYR 19 -2.705 -1.830 5.133 136 HD2 TYR 19 HD1 TYR 19 -1.609 -0.838 1.097 137 HE1 TYR 19 HE2 TYR 19 -1.877 0.380 5.899 138 HE2 TYR 19 HE1 TYR 19 -0.785 1.372 1.865 139 HH TYR 19 HH TYR 19 -1.577 2.827 4.463 140 H CYS 20 H CYS 20 -0.989 -5.638 3.880 141 HA CYS 20 HA CYS 20 -2.117 -7.408 1.872 142 HB2 CYS 20 HB2 CYS 20 0.084 -7.874 3.900 143 HB3 CYS 20 HB1 CYS 20 -0.292 -8.942 2.548 144 H ASN 21 H ASN 21 -3.108 -6.769 4.955 145 HA ASN 21 HA ASN 21 -3.839 -9.594 5.550 146 HB2 ASN 21 HB2 ASN 21 -3.504 -7.118 7.163 147 HB3 ASN 21 HB1 ASN 21 -4.787 -8.218 7.674 148 HD21 ASN 21 HD21 ASN 21 -1.480 -7.620 8.018 149 HD22 ASN 21 HD22 ASN 21 -0.996 -9.159 8.546 150 H1 PHE 1 HT1 PHE 1 11.986 2.457 -0.905 151 H2 PHE 1 HT2 PHE 1 11.004 1.156 -0.422 152 H3 PHE 1 HT3 PHE 1 11.250 2.473 0.623 153 HA PHE 1 HA PHE 1 9.530 2.260 -1.738 154 HB2 PHE 1 HB2 PHE 1 9.009 2.325 0.904 155 HB3 PHE 1 HB1 PHE 1 9.020 4.058 0.580 156 HD1 PHE 1 HD1 PHE 1 7.684 0.878 -0.919 157 HD2 PHE 1 HD2 PHE 1 7.043 5.057 -0.146 158 HE1 PHE 1 HE1 PHE 1 5.421 0.719 -1.922 159 HE2 PHE 1 HE2 PHE 1 4.781 4.896 -1.147 160 HZ PHE 1 HZ PHE 1 3.969 2.726 -2.035 161 H VAL 2 H VAL 2 8.842 4.239 -2.797 162 HA VAL 2 HA VAL 2 11.040 6.206 -2.988 163 HB VAL 2 HB VAL 2 9.520 7.119 -4.866 164 HG11 VAL 2 HG11 VAL 2 11.499 5.244 -4.840 165 HG12 VAL 2 HG12 VAL 2 10.719 5.825 -6.311 166 HG13 VAL 2 HG13 VAL 2 10.183 4.321 -5.563 167 HG21 VAL 2 HG21 VAL 2 7.574 5.688 -3.807 168 HG22 VAL 2 HG22 VAL 2 8.273 4.389 -4.774 169 HG23 VAL 2 HG23 VAL 2 7.686 5.856 -5.559 170 H ASN 3 H ASN 3 10.013 8.577 -3.440 171 HA ASN 3 HA ASN 3 8.196 9.095 -1.118 172 HB2 ASN 3 HB2 ASN 3 10.701 10.373 -2.026 173 HB3 ASN 3 HB1 ASN 3 9.414 11.501 -1.603 174 HD21 ASN 3 HD21 ASN 3 11.302 11.799 0.184 175 HD22 ASN 3 HD22 ASN 3 11.056 10.910 1.609 176 H GLN 4 H GLN 4 6.393 8.785 -2.668 177 HA GLN 4 HA GLN 4 5.650 11.331 -3.899 178 HB2 GLN 4 HB2 GLN 4 5.077 9.929 -6.080 179 HB3 GLN 4 HB1 GLN 4 6.669 10.651 -5.863 180 HG2 GLN 4 HG2 GLN 4 7.631 8.586 -5.176 181 HG3 GLN 4 HG1 GLN 4 6.049 7.844 -4.938 182 HE21 GLN 4 HE21 GLN 4 4.765 7.354 -6.922 183 HE22 GLN 4 HE22 GLN 4 5.555 7.151 -8.411 184 H HIS 5 H HIS 5 3.390 11.436 -4.301 185 HA HIS 5 HA HIS 5 1.780 9.680 -2.668 186 HB2 HIS 5 HB2 HIS 5 0.724 11.512 -4.825 187 HB3 HIS 5 HB1 HIS 5 -0.067 11.025 -3.327 188 HD2 HIS 5 HD2 HIS 5 2.610 13.598 -4.560 189 HE1 HIS 5 HE1 HIS 5 1.932 14.254 -0.438 190 HE2 HIS 5 HE2 HIS 5 3.085 15.153 -2.528 191 H LEU 6 H LEU 6 0.442 7.982 -3.317 192 HA LEU 6 HA LEU 6 0.267 7.362 -6.196 193 HB2 LEU 6 HB2 LEU 6 0.971 5.009 -5.834 194 HB3 LEU 6 HB1 LEU 6 2.270 6.150 -5.532 195 HG LEU 6 HG LEU 6 2.279 4.434 -3.810 196 HD11 LEU 6 HD11 LEU 6 2.646 5.840 -2.060 197 HD12 LEU 6 HD12 LEU 6 1.084 6.638 -2.232 198 HD13 LEU 6 HD13 LEU 6 2.424 7.079 -3.293 199 HD21 LEU 6 HD21 LEU 6 -0.286 5.213 -2.585 200 HD22 LEU 6 HD22 LEU 6 0.441 3.619 -2.770 201 HD23 LEU 6 HD23 LEU 6 -0.433 4.348 -4.116 202 H CYS 7 H CYS 7 -1.512 5.973 -6.704 203 HA CYS 7 HA CYS 7 -3.249 5.061 -4.503 204 HB2 CYS 7 HB2 CYS 7 -4.148 7.170 -6.490 205 HB3 CYS 7 HB1 CYS 7 -5.210 6.330 -5.361 206 H GLY 8 H GLY 8 -5.246 3.965 -5.467 207 HA2 GLY 8 HA2 GLY 8 -6.114 2.298 -6.860 208 HA3 GLY 8 HA1 GLY 8 -5.513 3.286 -8.187 209 H SER 9 H SER 9 -4.517 1.871 -9.517 210 HA SER 9 HA SER 9 -3.274 -0.558 -8.835 211 HB2 SER 9 HB2 SER 9 -3.321 1.226 -11.172 212 HB3 SER 9 HB1 SER 9 -1.851 0.265 -11.042 213 HG SER 9 HG SER 9 -2.995 -1.367 -11.678 214 H ASP 10 H ASP 10 -2.160 2.647 -8.316 215 HA ASP 10 HA ASP 10 0.670 1.931 -8.267 216 HB2 ASP 10 HB2 ASP 10 -0.605 4.355 -6.983 217 HB3 ASP 10 HB1 ASP 10 1.064 4.179 -7.522 218 H LEU 11 H LEU 11 -1.957 2.120 -5.966 219 HA LEU 11 HA LEU 11 -0.359 1.918 -3.589 220 HB2 LEU 11 HB2 LEU 11 -3.144 0.810 -4.040 221 HB3 LEU 11 HB1 LEU 11 -2.402 1.178 -2.483 222 HG LEU 11 HG LEU 11 -2.639 3.320 -4.574 223 HD11 LEU 11 HD11 LEU 11 -4.787 2.378 -2.655 224 HD12 LEU 11 HD12 LEU 11 -4.897 2.473 -4.412 225 HD13 LEU 11 HD13 LEU 11 -4.813 3.951 -3.453 226 HD21 LEU 11 HD21 LEU 11 -2.148 4.728 -2.830 227 HD22 LEU 11 HD22 LEU 11 -1.432 3.267 -2.151 228 HD23 LEU 11 HD23 LEU 11 -3.050 3.765 -1.664 229 H VAL 12 H VAL 12 -1.430 -0.363 -5.991 230 HA VAL 12 HA VAL 12 -0.549 -2.649 -4.357 231 HB VAL 12 HB VAL 12 -0.986 -3.952 -6.498 232 HG11 VAL 12 HG11 VAL 12 -3.184 -2.369 -5.152 233 HG12 VAL 12 HG12 VAL 12 -2.585 -3.964 -4.696 234 HG13 VAL 12 HG13 VAL 12 -3.477 -3.755 -6.202 235 HG21 VAL 12 HG21 VAL 12 -2.234 -1.314 -7.320 236 HG22 VAL 12 HG22 VAL 12 -2.376 -2.840 -8.190 237 HG23 VAL 12 HG23 VAL 12 -0.808 -2.049 -8.054 238 H GLU 13 H GLU 13 0.510 -0.946 -7.338 239 HA GLU 13 HA GLU 13 2.720 -2.482 -8.012 240 HB2 GLU 13 HB2 GLU 13 2.316 -0.529 -9.326 241 HB3 GLU 13 HB1 GLU 13 2.393 0.524 -7.913 242 HG2 GLU 13 HG2 GLU 13 4.633 0.720 -8.077 243 HG3 GLU 13 HG1 GLU 13 4.838 -1.026 -8.219 244 H ALA 14 H ALA 14 2.272 -0.262 -5.386 245 HA ALA 14 HA ALA 14 4.944 -0.430 -4.294 246 HB1 ALA 14 HB1 ALA 14 3.802 1.483 -3.598 247 HB2 ALA 14 HB2 ALA 14 3.581 0.423 -2.205 248 HB3 ALA 14 HB3 ALA 14 2.284 0.611 -3.385 249 H LEU 15 H LEU 15 1.843 -1.950 -3.522 250 HA LEU 15 HA LEU 15 3.014 -3.615 -1.438 251 HB2 LEU 15 HB2 LEU 15 0.324 -3.321 -2.707 252 HB3 LEU 15 HB1 LEU 15 0.676 -4.818 -1.843 253 HG LEU 15 HG LEU 15 1.479 -2.347 -0.433 254 HD11 LEU 15 HD11 LEU 15 -1.189 -2.518 0.272 255 HD12 LEU 15 HD12 LEU 15 -1.239 -2.719 -1.479 256 HD13 LEU 15 HD13 LEU 15 -0.492 -1.283 -0.777 257 HD21 LEU 15 HD21 LEU 15 0.441 -5.068 0.118 258 HD22 LEU 15 HD22 LEU 15 -0.063 -3.819 1.256 259 HD23 LEU 15 HD23 LEU 15 1.653 -4.130 0.990 260 H TYR 16 H TYR 16 1.393 -4.390 -4.458 261 HA TYR 16 HA TYR 16 1.745 -6.954 -5.000 262 HB2 TYR 16 HB2 TYR 16 1.050 -5.875 -6.896 263 HB3 TYR 16 HB1 TYR 16 2.167 -4.536 -6.670 264 HD1 TYR 16 HD1 TYR 16 2.652 -8.239 -7.036 265 HD2 TYR 16 HD2 TYR 16 3.544 -4.310 -8.528 266 HE1 TYR 16 HE1 TYR 16 4.182 -9.229 -8.723 267 HE2 TYR 16 HE2 TYR 16 5.075 -5.298 -10.215 268 HH TYR 16 HH TYR 16 6.352 -8.210 -10.056 269 H LEU 17 H LEU 17 4.576 -4.720 -5.022 270 HA LEU 17 HA LEU 17 6.269 -7.130 -5.444 271 HB2 LEU 17 HB2 LEU 17 8.066 -5.078 -5.306 272 HB3 LEU 17 HB1 LEU 17 7.326 -5.670 -6.787 273 HG LEU 17 HG LEU 17 5.468 -4.009 -6.424 274 HD11 LEU 17 HD11 LEU 17 5.713 -3.629 -4.058 275 HD12 LEU 17 HD12 LEU 17 6.083 -2.109 -4.867 276 HD13 LEU 17 HD13 LEU 17 7.387 -3.124 -4.257 277 HD21 LEU 17 HD21 LEU 17 8.281 -3.445 -7.108 278 HD22 LEU 17 HD22 LEU 17 7.327 -2.015 -6.716 279 HD23 LEU 17 HD23 LEU 17 6.810 -3.090 -8.014 280 H VAL 18 H VAL 18 5.376 -4.980 -2.838 281 HA VAL 18 HA VAL 18 7.733 -5.713 -1.253 282 HB VAL 18 HB VAL 18 6.766 -4.456 0.540 283 HG11 VAL 18 HG11 VAL 18 6.522 -3.347 -2.217 284 HG12 VAL 18 HG12 VAL 18 7.610 -2.877 -0.916 285 HG13 VAL 18 HG13 VAL 18 5.919 -2.375 -0.875 286 HG21 VAL 18 HG21 VAL 18 4.381 -3.462 0.026 287 HG22 VAL 18 HG22 VAL 18 4.535 -5.069 0.735 288 HG23 VAL 18 HG23 VAL 18 4.235 -4.891 -0.990 289 H CYS 19 H CYS 19 4.348 -6.657 -1.400 290 HA CYS 19 HA CYS 19 4.770 -8.678 0.717 291 HB2 CYS 19 HB2 CYS 19 2.438 -7.408 -0.579 292 HB3 CYS 19 HB1 CYS 19 2.236 -9.123 -0.227 293 H GLY 20 H GLY 20 4.124 -8.481 -2.764 294 HA2 GLY 20 HA2 GLY 20 4.324 -10.107 -4.443 295 HA3 GLY 20 HA1 GLY 20 5.495 -10.888 -3.379 296 H GLU 21 H GLU 21 4.922 -12.863 -2.603 297 HA GLU 21 HA GLU 21 2.150 -13.788 -3.040 298 HB2 GLU 21 HB2 GLU 21 4.496 -15.067 -3.401 299 HB3 GLU 21 HB1 GLU 21 4.159 -15.557 -1.740 300 HG2 GLU 21 HG2 GLU 21 2.278 -16.752 -2.326 301 HG3 GLU 21 HG1 GLU 21 1.914 -15.707 -3.699 302 H ARG 22 H ARG 22 2.950 -11.824 -0.876 303 HA ARG 22 HA ARG 22 2.502 -13.352 1.603 304 HB2 ARG 22 HB2 ARG 22 3.957 -11.166 1.212 305 HB3 ARG 22 HB1 ARG 22 2.413 -10.359 1.496 306 HG2 ARG 22 HG2 ARG 22 2.351 -10.960 3.700 307 HG3 ARG 22 HG1 ARG 22 3.097 -12.530 3.397 308 HD2 ARG 22 HD2 ARG 22 4.774 -10.089 2.999 309 HD3 ARG 22 HD1 ARG 22 4.426 -10.588 4.653 310 HE ARG 22 HE ARG 22 5.263 -12.920 3.388 311 HH11 ARG 22 HH21 ARG 22 6.633 -10.890 5.443 312 HH12 ARG 22 HH22 ARG 22 8.223 -10.865 4.757 313 HH21 ARG 22 HH11 ARG 22 7.257 -12.402 1.801 314 HH22 ARG 22 HH12 ARG 22 8.576 -11.720 2.693 315 H GLY 23 H GLY 23 0.604 -11.898 -0.813 316 HA2 GLY 23 HA2 GLY 23 -1.846 -12.397 -0.630 317 HA3 GLY 23 HA1 GLY 23 -1.740 -11.857 1.047 318 H ALA 24 H ALA 24 -3.591 -10.643 -0.599 319 HA ALA 24 HA ALA 24 -2.924 -7.878 -0.345 320 HB1 ALA 24 HB1 ALA 24 -1.621 -7.689 -2.206 321 HB2 ALA 24 HB2 ALA 24 -3.167 -7.687 -3.056 322 HB3 ALA 24 HB3 ALA 24 -2.241 -9.182 -2.910 323 H PHE 25 H PHE 25 -5.121 -9.637 0.242 324 HA PHE 25 HA PHE 25 -7.235 -8.759 -1.639 325 HB2 PHE 25 HB2 PHE 25 -8.673 -10.328 -0.242 326 HB3 PHE 25 HB1 PHE 25 -7.365 -11.102 -1.136 327 HD1 PHE 25 HD2 PHE 25 -5.377 -11.955 0.008 328 HD2 PHE 25 HD1 PHE 25 -8.564 -10.070 2.191 329 HE1 PHE 25 HE2 PHE 25 -4.441 -12.832 2.132 330 HE2 PHE 25 HE1 PHE 25 -7.628 -10.947 4.314 331 HZ PHE 25 HZ PHE 25 -5.567 -12.328 4.286 332 H TYR 26 H TYR 26 -6.272 -6.629 -0.259 333 HA TYR 26 HA TYR 26 -7.455 -6.134 2.293 334 HB2 TYR 26 HB2 TYR 26 -6.924 -3.816 1.913 335 HB3 TYR 26 HB1 TYR 26 -5.627 -4.772 1.199 336 HD1 TYR 26 HD2 TYR 26 -5.543 -5.132 -1.271 337 HD2 TYR 26 HD1 TYR 26 -8.401 -2.492 0.554 338 HE1 TYR 26 HE2 TYR 26 -5.990 -4.088 -3.478 339 HE2 TYR 26 HE1 TYR 26 -8.847 -1.448 -1.651 340 HH TYR 26 HH TYR 26 -8.414 -2.602 -4.351 341 H THR 27 H THR 27 -8.870 -6.417 -0.791 342 HA THR 27 HA THR 27 -11.270 -4.872 0.092 343 HB THR 27 HB THR 27 -10.411 -4.129 -2.058 344 HG1 THR 27 HG1 THR 27 -12.686 -4.344 -1.820 345 HG21 THR 27 HG21 THR 27 -9.978 -6.987 -2.407 346 HG22 THR 27 HG22 THR 27 -9.249 -5.632 -3.270 347 HG23 THR 27 HG23 THR 27 -10.802 -6.279 -3.796 348 H LYS 28 H LYS 28 -12.109 -6.571 1.434 349 HA LYS 28 HA LYS 28 -12.473 -9.264 0.493 350 HB2 LYS 28 HB2 LYS 28 -13.127 -7.722 2.863 351 HB3 LYS 28 HB1 LYS 28 -14.474 -8.763 2.398 352 HG2 LYS 28 HG2 LYS 28 -13.233 -10.717 2.652 353 HG3 LYS 28 HG1 LYS 28 -11.693 -9.891 2.403 354 HD2 LYS 28 HD2 LYS 28 -11.509 -9.300 4.596 355 HD3 LYS 28 HD1 LYS 28 -13.235 -8.972 4.753 356 HE2 LYS 28 HE2 LYS 28 -13.701 -11.386 4.852 357 HE3 LYS 28 HE1 LYS 28 -11.982 -11.732 4.664 358 HZ1 LYS 28 HZ1 LYS 28 -13.247 -10.260 6.910 359 HZ2 LYS 28 HZ2 LYS 28 -11.574 -10.474 6.714 360 HZ3 LYS 28 HZ3 LYS 28 -12.580 -11.817 6.977 361 HA PRO 29 HA PRO 29 -16.914 -7.863 -0.564 362 HB2 PRO 29 HB2 PRO 29 -17.496 -5.187 -0.324 363 HB3 PRO 29 HB1 PRO 29 -17.710 -6.357 0.989 364 HG2 PRO 29 HG2 PRO 29 -15.603 -4.275 0.658 365 HG3 PRO 29 HG1 PRO 29 -16.228 -5.015 2.142 366 HD2 PRO 29 HD2 PRO 29 -13.786 -5.662 0.858 367 HD3 PRO 29 HD1 PRO 29 -14.567 -6.593 2.152 368 H THR 30 H THR 30 -16.006 -8.290 -2.694 369 HA THR 30 HA THR 30 -15.412 -5.833 -4.293 370 HB THR 30 HB THR 30 -14.057 -7.185 -5.734 371 HG1 THR 30 HG1 THR 30 -13.955 -9.519 -5.133 372 HG21 THR 30 HG21 THR 30 -12.641 -8.478 -3.911 373 HG22 THR 30 HG22 THR 30 -13.701 -7.619 -2.794 374 HG23 THR 30 HG23 THR 30 -12.690 -6.715 -3.922 Start of MODEL 4 1 H1 GLY 1 HT1 GLY 1 -10.373 3.016 2.146 2 H2 GLY 1 HT2 GLY 1 -9.107 3.707 1.250 3 H3 GLY 1 HT3 GLY 1 -10.546 4.575 1.496 4 HA2 GLY 1 HA1 GLY 1 -8.715 5.258 3.010 5 HA3 GLY 1 HA2 GLY 1 -10.202 4.784 3.885 6 H ILE 2 H ILE 2 -8.086 2.394 2.512 7 HA ILE 2 HA ILE 2 -6.463 2.088 4.886 8 HB ILE 2 HB ILE 2 -7.088 0.158 3.498 9 HG12 ILE 2 HG12 ILE 2 -4.978 -0.951 3.526 10 HG13 ILE 2 HG11 ILE 2 -4.101 0.550 3.233 11 HG21 ILE 2 HG21 ILE 2 -7.176 0.847 1.285 12 HG22 ILE 2 HG22 ILE 2 -5.614 0.027 1.294 13 HG23 ILE 2 HG23 ILE 2 -5.689 1.785 1.408 14 HD11 ILE 2 HD11 ILE 2 -4.238 1.222 5.426 15 HD12 ILE 2 HD12 ILE 2 -4.343 -0.517 5.693 16 HD13 ILE 2 HD13 ILE 2 -5.810 0.460 5.668 17 H VAL 3 H VAL 3 -6.035 3.691 1.802 18 HA VAL 3 HA VAL 3 -3.182 4.239 2.464 19 HB VAL 3 HB VAL 3 -3.047 5.089 0.132 20 HG11 VAL 3 HG11 VAL 3 -2.478 2.959 -0.280 21 HG12 VAL 3 HG12 VAL 3 -4.172 2.604 -0.621 22 HG13 VAL 3 HG13 VAL 3 -3.538 2.400 1.012 23 HG21 VAL 3 HG21 VAL 3 -5.941 4.172 0.019 24 HG22 VAL 3 HG22 VAL 3 -4.983 4.685 -1.369 25 HG23 VAL 3 HG23 VAL 3 -5.383 5.840 -0.097 26 H GLU 4 H GLU 4 -5.773 5.468 3.564 27 HA GLU 4 HA GLU 4 -6.308 8.051 2.823 28 HB2 GLU 4 HB2 GLU 4 -6.735 8.583 5.157 29 HB3 GLU 4 HB1 GLU 4 -7.226 6.917 4.857 30 HG2 GLU 4 HG2 GLU 4 -5.163 6.075 5.824 31 HG3 GLU 4 HG1 GLU 4 -4.529 7.713 5.989 32 H GLN 5 H GLN 5 -3.235 6.904 4.062 33 HA GLN 5 HA GLN 5 -2.291 9.708 4.295 34 HB2 GLN 5 HB2 GLN 5 -0.144 8.015 4.922 35 HB3 GLN 5 HB1 GLN 5 -1.164 8.884 6.064 36 HG2 GLN 5 HG2 GLN 5 -2.784 6.895 5.878 37 HG3 GLN 5 HG1 GLN 5 -1.457 6.037 5.095 38 HE21 GLN 5 HE21 GLN 5 -0.148 4.894 6.523 39 HE22 GLN 5 HE22 GLN 5 0.068 5.270 8.164 40 H CYS 6 H CYS 6 -0.472 6.832 3.205 41 HA CYS 6 HA CYS 6 1.280 8.038 1.489 42 HB2 CYS 6 HB2 CYS 6 -0.001 5.388 1.509 43 HB3 CYS 6 HB1 CYS 6 0.633 5.884 -0.058 44 H CYS 7 H CYS 7 -2.097 7.261 0.633 45 HA CYS 7 HA CYS 7 -1.920 8.152 -2.063 46 HB2 CYS 7 HB2 CYS 7 -4.045 7.469 -0.192 47 HB3 CYS 7 HB1 CYS 7 -4.500 8.752 -1.300 48 H THR 8 H THR 8 -2.446 9.928 0.953 49 HA THR 8 HA THR 8 -2.751 12.441 -0.616 50 HB THR 8 HB THR 8 -4.352 11.860 1.276 51 HG1 THR 8 HG1 THR 8 -2.807 14.209 1.175 52 HG21 THR 8 HG21 THR 8 -2.685 10.920 2.817 53 HG22 THR 8 HG22 THR 8 -3.518 12.284 3.564 54 HG23 THR 8 HG23 THR 8 -1.888 12.490 2.925 55 H SER 9 H SER 9 -0.547 10.758 1.518 56 HA SER 9 HA SER 9 1.430 12.933 1.062 57 HB2 SER 9 HB2 SER 9 2.050 12.143 3.612 58 HB3 SER 9 HB1 SER 9 1.135 13.588 3.209 59 HG SER 9 HG SER 9 -0.136 11.083 3.436 60 H ILE 10 H ILE 10 3.511 11.820 2.565 61 HA ILE 10 HA ILE 10 4.031 9.346 0.992 62 HB ILE 10 HB ILE 10 6.176 10.725 2.555 63 HG12 ILE 10 HG12 ILE 10 4.781 12.524 1.416 64 HG13 ILE 10 HG11 ILE 10 6.463 12.451 0.899 65 HG21 ILE 10 HG21 ILE 10 7.048 8.943 1.360 66 HG22 ILE 10 HG22 ILE 10 7.233 10.227 0.166 67 HG23 ILE 10 HG23 ILE 10 5.874 9.108 0.055 68 HD11 ILE 10 HD11 ILE 10 4.946 12.651 -1.041 69 HD12 ILE 10 HD12 ILE 10 4.131 11.167 -0.550 70 HD13 ILE 10 HD13 ILE 10 5.816 11.117 -1.067 71 H CYS 11 H CYS 11 2.835 7.961 2.479 72 HA CYS 11 HA CYS 11 3.614 7.844 5.280 73 HB2 CYS 11 HB2 CYS 11 1.973 6.195 5.523 74 HB3 CYS 11 HB1 CYS 11 1.347 7.138 4.176 75 H SER 12 H SER 12 3.942 5.141 5.798 76 HA SER 12 HA SER 12 6.662 4.713 4.700 77 HB2 SER 12 HB2 SER 12 6.240 2.686 6.483 78 HB3 SER 12 HB1 SER 12 6.928 4.250 6.907 79 HG SER 12 HG SER 12 5.161 3.768 8.240 80 H LEU 13 H LEU 13 6.911 3.353 2.990 81 HA LEU 13 HA LEU 13 4.782 1.827 1.889 82 HB2 LEU 13 HB2 LEU 13 6.532 0.721 0.512 83 HB3 LEU 13 HB1 LEU 13 6.695 2.476 0.520 84 HG LEU 13 HG LEU 13 8.174 0.972 2.625 85 HD11 LEU 13 HD11 LEU 13 10.016 0.464 1.085 86 HD12 LEU 13 HD12 LEU 13 9.076 1.090 -0.269 87 HD13 LEU 13 HD13 LEU 13 8.550 -0.370 0.569 88 HD21 LEU 13 HD21 LEU 13 8.111 3.585 1.475 89 HD22 LEU 13 HD22 LEU 13 9.698 2.889 1.136 90 HD23 LEU 13 HD23 LEU 13 9.124 3.008 2.800 91 H TYR 14 H TYR 14 7.264 0.981 4.231 92 HA TYR 14 HA TYR 14 6.723 -1.847 4.184 93 HB2 TYR 14 HB2 TYR 14 7.636 -1.660 6.649 94 HB3 TYR 14 HB1 TYR 14 8.730 -1.420 5.290 95 HD1 TYR 14 HD2 TYR 14 9.551 0.815 4.705 96 HD2 TYR 14 HD1 TYR 14 6.901 0.211 8.036 97 HE1 TYR 14 HE2 TYR 14 10.102 3.080 5.556 98 HE2 TYR 14 HE1 TYR 14 7.459 2.473 8.889 99 HH TYR 14 HH TYR 14 9.654 4.627 7.085 100 H GLN 15 H GLN 15 5.139 0.900 5.508 101 HA GLN 15 HA GLN 15 3.511 -0.563 7.414 102 HB2 GLN 15 HB2 GLN 15 2.738 1.508 8.005 103 HB3 GLN 15 HB1 GLN 15 4.132 2.062 7.096 104 HG2 GLN 15 HG2 GLN 15 2.489 3.328 6.078 105 HG3 GLN 15 HG1 GLN 15 2.422 1.889 5.059 106 HE21 GLN 15 HE21 GLN 15 0.769 3.595 7.705 107 HE22 GLN 15 HE22 GLN 15 -0.677 2.712 7.598 108 H LEU 16 H LEU 16 3.453 0.132 4.028 109 HA LEU 16 HA LEU 16 0.643 -0.349 3.582 110 HB2 LEU 16 HB2 LEU 16 3.089 -0.273 1.833 111 HB3 LEU 16 HB1 LEU 16 1.569 -0.896 1.185 112 HG LEU 16 HG LEU 16 0.478 1.236 2.027 113 HD11 LEU 16 HD11 LEU 16 2.629 2.985 1.992 114 HD12 LEU 16 HD12 LEU 16 3.221 1.620 2.937 115 HD13 LEU 16 HD13 LEU 16 1.750 2.459 3.427 116 HD21 LEU 16 HD21 LEU 16 2.309 0.869 -0.242 117 HD22 LEU 16 HD22 LEU 16 2.047 2.562 0.178 118 HD23 LEU 16 HD23 LEU 16 0.674 1.529 -0.217 119 H GLU 17 H GLU 17 3.483 -2.376 3.896 120 HA GLU 17 HA GLU 17 2.491 -4.773 2.752 121 HB2 GLU 17 HB2 GLU 17 4.165 -5.880 3.978 122 HB3 GLU 17 HB1 GLU 17 4.803 -4.243 3.855 123 HG2 GLU 17 HG2 GLU 17 3.656 -3.797 6.107 124 HG3 GLU 17 HG1 GLU 17 3.462 -5.546 6.227 125 H ASN 18 H ASN 18 1.632 -3.034 5.581 126 HA ASN 18 HA ASN 18 0.389 -5.048 7.158 127 HB2 ASN 18 HB2 ASN 18 0.820 -2.723 7.931 128 HB3 ASN 18 HB1 ASN 18 -0.439 -2.146 6.839 129 HD21 ASN 18 HD21 ASN 18 -0.486 -5.122 8.847 130 HD22 ASN 18 HD22 ASN 18 -1.845 -4.670 9.759 131 H TYR 19 H TYR 19 -0.494 -3.800 4.108 132 HA TYR 19 HA TYR 19 -3.361 -4.368 4.424 133 HB2 TYR 19 HB2 TYR 19 -1.937 -3.796 1.825 134 HB3 TYR 19 HB1 TYR 19 -3.626 -3.501 2.231 135 HD1 TYR 19 HD2 TYR 19 -2.544 -2.522 5.167 136 HD2 TYR 19 HD1 TYR 19 -1.899 -1.369 1.076 137 HE1 TYR 19 HE2 TYR 19 -1.965 -0.225 5.906 138 HE2 TYR 19 HE1 TYR 19 -1.326 0.927 1.817 139 HH TYR 19 HH TYR 19 -1.402 1.822 5.270 140 H CYS 20 H CYS 20 -0.533 -6.098 3.647 141 HA CYS 20 HA CYS 20 -1.599 -7.977 1.752 142 HB2 CYS 20 HB2 CYS 20 0.579 -8.438 3.807 143 HB3 CYS 20 HB1 CYS 20 0.315 -9.367 2.334 144 H ASN 21 H ASN 21 -2.241 -7.465 5.052 145 HA ASN 21 HA ASN 21 -2.899 -10.240 5.702 146 HB2 ASN 21 HB2 ASN 21 -3.546 -7.645 7.127 147 HB3 ASN 21 HB1 ASN 21 -3.839 -9.255 7.782 148 HD21 ASN 21 HD21 ASN 21 -2.280 -8.763 9.547 149 HD22 ASN 21 HD22 ASN 21 -0.611 -8.813 9.245 150 H1 PHE 1 HT1 PHE 1 10.239 0.559 -5.210 151 H2 PHE 1 HT2 PHE 1 11.316 0.785 -3.915 152 H3 PHE 1 HT3 PHE 1 11.305 1.878 -5.216 153 HA PHE 1 HA PHE 1 8.813 2.177 -4.529 154 HB2 PHE 1 HB2 PHE 1 9.513 0.367 -2.650 155 HB3 PHE 1 HB1 PHE 1 9.929 1.852 -1.792 156 HD1 PHE 1 HD2 PHE 1 7.980 3.794 -2.642 157 HD2 PHE 1 HD1 PHE 1 7.443 -0.400 -1.875 158 HE1 PHE 1 HE2 PHE 1 5.581 4.191 -2.156 159 HE2 PHE 1 HE1 PHE 1 5.042 -0.003 -1.389 160 HZ PHE 1 HZ PHE 1 4.111 2.292 -1.529 161 H VAL 2 H VAL 2 8.978 4.336 -4.898 162 HA VAL 2 HA VAL 2 11.244 5.830 -3.692 163 HB VAL 2 HB VAL 2 10.301 7.700 -5.185 164 HG11 VAL 2 HG11 VAL 2 11.005 5.451 -6.978 165 HG12 VAL 2 HG12 VAL 2 12.128 5.729 -5.647 166 HG13 VAL 2 HG13 VAL 2 11.778 7.025 -6.791 167 HG21 VAL 2 HG21 VAL 2 8.719 7.122 -6.852 168 HG22 VAL 2 HG22 VAL 2 8.072 6.400 -5.378 169 HG23 VAL 2 HG23 VAL 2 8.915 5.394 -6.558 170 H ASN 3 H ASN 3 10.576 8.147 -2.947 171 HA ASN 3 HA ASN 3 8.295 7.813 -1.071 172 HB2 ASN 3 HB2 ASN 3 10.602 9.772 -1.180 173 HB3 ASN 3 HB1 ASN 3 9.275 9.911 -0.027 174 HD21 ASN 3 HD21 ASN 3 12.319 8.440 -0.545 175 HD22 ASN 3 HD22 ASN 3 12.247 7.304 0.714 176 H GLN 4 H GLN 4 6.504 8.288 -2.407 177 HA GLN 4 HA GLN 4 6.065 11.125 -2.932 178 HB2 GLN 4 HB2 GLN 4 5.461 10.612 -5.378 179 HB3 GLN 4 HB1 GLN 4 7.181 10.694 -4.992 180 HG2 GLN 4 HG2 GLN 4 7.501 8.462 -5.344 181 HG3 GLN 4 HG1 GLN 4 5.936 8.029 -4.653 182 HE21 GLN 4 HE21 GLN 4 4.114 9.367 -6.232 183 HE22 GLN 4 HE22 GLN 4 4.260 8.891 -7.855 184 H HIS 5 H HIS 5 3.796 11.277 -4.109 185 HA HIS 5 HA HIS 5 1.950 9.682 -2.499 186 HB2 HIS 5 HB2 HIS 5 1.154 11.532 -4.744 187 HB3 HIS 5 HB1 HIS 5 0.259 11.140 -3.276 188 HD2 HIS 5 HD2 HIS 5 3.186 13.481 -4.422 189 HE1 HIS 5 HE1 HIS 5 2.267 14.358 -0.389 190 HE2 HIS 5 HE2 HIS 5 3.624 15.087 -2.422 191 H LEU 6 H LEU 6 0.673 7.991 -3.233 192 HA LEU 6 HA LEU 6 0.589 7.414 -6.119 193 HB2 LEU 6 HB2 LEU 6 1.307 5.057 -5.776 194 HB3 LEU 6 HB1 LEU 6 2.588 6.214 -5.450 195 HG LEU 6 HG LEU 6 2.596 4.474 -3.749 196 HD11 LEU 6 HD11 LEU 6 2.730 7.110 -3.204 197 HD12 LEU 6 HD12 LEU 6 2.939 5.861 -1.977 198 HD13 LEU 6 HD13 LEU 6 1.378 6.660 -2.162 199 HD21 LEU 6 HD21 LEU 6 0.761 3.639 -2.723 200 HD22 LEU 6 HD22 LEU 6 -0.111 4.372 -4.068 201 HD23 LEU 6 HD23 LEU 6 0.023 5.227 -2.529 202 H CYS 7 H CYS 7 -1.170 6.041 -6.703 203 HA CYS 7 HA CYS 7 -2.929 4.981 -4.597 204 HB2 CYS 7 HB2 CYS 7 -3.851 7.214 -6.428 205 HB3 CYS 7 HB1 CYS 7 -4.905 6.270 -5.379 206 H GLY 8 H GLY 8 -4.910 3.944 -5.648 207 HA2 GLY 8 HA2 GLY 8 -5.818 2.460 -7.213 208 HA3 GLY 8 HA1 GLY 8 -5.070 3.467 -8.447 209 H SER 9 H SER 9 -4.116 1.995 -9.776 210 HA SER 9 HA SER 9 -3.032 -0.503 -9.096 211 HB2 SER 9 HB2 SER 9 -1.843 -0.407 -11.220 212 HB3 SER 9 HB1 SER 9 -3.439 0.308 -11.426 213 HG SER 9 HG SER 9 -1.144 1.413 -11.965 214 H ASP 10 H ASP 10 -1.788 2.643 -8.473 215 HA ASP 10 HA ASP 10 0.989 1.803 -8.219 216 HB2 ASP 10 HB2 ASP 10 -0.322 4.247 -7.003 217 HB3 ASP 10 HB1 ASP 10 1.396 4.013 -7.323 218 H LEU 11 H LEU 11 -1.808 1.964 -6.142 219 HA LEU 11 HA LEU 11 -0.394 1.672 -3.651 220 HB2 LEU 11 HB2 LEU 11 -3.189 0.715 -4.341 221 HB3 LEU 11 HB1 LEU 11 -2.547 0.976 -2.719 222 HG LEU 11 HG LEU 11 -2.711 3.155 -4.815 223 HD11 LEU 11 HD11 LEU 11 -4.717 3.931 -3.779 224 HD12 LEU 11 HD12 LEU 11 -4.549 2.793 -2.442 225 HD13 LEU 11 HD13 LEU 11 -4.961 2.206 -4.053 226 HD21 LEU 11 HD21 LEU 11 -1.782 4.510 -3.245 227 HD22 LEU 11 HD22 LEU 11 -1.218 3.011 -2.515 228 HD23 LEU 11 HD23 LEU 11 -2.697 3.777 -1.934 229 H VAL 12 H VAL 12 -1.347 -0.506 -6.192 230 HA VAL 12 HA VAL 12 -0.603 -2.852 -4.558 231 HB VAL 12 HB VAL 12 -0.959 -4.103 -6.756 232 HG11 VAL 12 HG11 VAL 12 -2.620 -4.142 -5.001 233 HG12 VAL 12 HG12 VAL 12 -3.448 -3.929 -6.543 234 HG13 VAL 12 HG13 VAL 12 -3.215 -2.550 -5.470 235 HG21 VAL 12 HG21 VAL 12 -2.290 -2.932 -8.461 236 HG22 VAL 12 HG22 VAL 12 -0.718 -2.166 -8.253 237 HG23 VAL 12 HG23 VAL 12 -2.157 -1.432 -7.545 238 H GLU 13 H GLU 13 0.573 -1.082 -7.449 239 HA GLU 13 HA GLU 13 2.810 -2.571 -8.108 240 HB2 GLU 13 HB2 GLU 13 2.464 -0.542 -9.324 241 HB3 GLU 13 HB1 GLU 13 2.489 0.426 -7.849 242 HG2 GLU 13 HG2 GLU 13 4.725 0.650 -7.959 243 HG3 GLU 13 HG1 GLU 13 4.939 -1.096 -8.095 244 H ALA 14 H ALA 14 2.255 -0.522 -5.367 245 HA ALA 14 HA ALA 14 4.873 -0.750 -4.173 246 HB1 ALA 14 HB1 ALA 14 2.177 0.251 -3.387 247 HB2 ALA 14 HB2 ALA 14 3.742 1.054 -3.271 248 HB3 ALA 14 HB3 ALA 14 3.287 -0.167 -2.082 249 H LEU 15 H LEU 15 1.744 -2.085 -3.177 250 HA LEU 15 HA LEU 15 2.767 -4.051 -1.398 251 HB2 LEU 15 HB2 LEU 15 0.201 -3.655 -2.881 252 HB3 LEU 15 HB1 LEU 15 0.495 -5.230 -2.143 253 HG LEU 15 HG LEU 15 1.075 -2.850 -0.456 254 HD11 LEU 15 HD11 LEU 15 -0.957 -1.920 -0.828 255 HD12 LEU 15 HD12 LEU 15 -1.613 -3.308 0.043 256 HD13 LEU 15 HD13 LEU 15 -1.529 -3.332 -1.719 257 HD21 LEU 15 HD21 LEU 15 -0.214 -5.568 -0.067 258 HD22 LEU 15 HD22 LEU 15 -0.052 -4.376 1.222 259 HD23 LEU 15 HD23 LEU 15 1.388 -5.061 0.468 260 H TYR 16 H TYR 16 1.414 -4.575 -4.588 261 HA TYR 16 HA TYR 16 1.820 -7.063 -5.334 262 HB2 TYR 16 HB2 TYR 16 1.261 -5.726 -7.129 263 HB3 TYR 16 HB1 TYR 16 2.497 -4.531 -6.762 264 HD1 TYR 16 HD1 TYR 16 2.411 -8.193 -7.564 265 HD2 TYR 16 HD2 TYR 16 4.186 -4.356 -8.328 266 HE1 TYR 16 HE1 TYR 16 3.916 -9.228 -9.249 267 HE2 TYR 16 HE2 TYR 16 5.692 -5.389 -10.014 268 HH TYR 16 HH TYR 16 6.567 -8.159 -10.245 269 H LEU 17 H LEU 17 4.682 -4.878 -4.979 270 HA LEU 17 HA LEU 17 6.337 -7.333 -5.346 271 HB2 LEU 17 HB2 LEU 17 8.181 -5.343 -5.298 272 HB3 LEU 17 HB1 LEU 17 7.394 -5.926 -6.758 273 HG LEU 17 HG LEU 17 5.601 -4.175 -6.363 274 HD11 LEU 17 HD11 LEU 17 7.660 -2.933 -4.541 275 HD12 LEU 17 HD12 LEU 17 6.355 -3.933 -3.911 276 HD13 LEU 17 HD13 LEU 17 5.984 -2.447 -4.777 277 HD21 LEU 17 HD21 LEU 17 8.120 -4.001 -7.564 278 HD22 LEU 17 HD22 LEU 17 7.983 -2.517 -6.621 279 HD23 LEU 17 HD23 LEU 17 6.761 -2.910 -7.831 280 H VAL 18 H VAL 18 5.385 -5.122 -2.846 281 HA VAL 18 HA VAL 18 7.727 -5.582 -1.185 282 HB VAL 18 HB VAL 18 6.528 -4.513 0.591 283 HG11 VAL 18 HG11 VAL 18 5.215 -2.735 -1.113 284 HG12 VAL 18 HG12 VAL 18 6.506 -3.418 -2.103 285 HG13 VAL 18 HG13 VAL 18 6.891 -2.622 -0.576 286 HG21 VAL 18 HG21 VAL 18 4.109 -5.250 -1.036 287 HG22 VAL 18 HG22 VAL 18 4.035 -3.969 0.169 288 HG23 VAL 18 HG23 VAL 18 4.446 -5.614 0.653 289 H CYS 19 H CYS 19 4.517 -7.005 -1.401 290 HA CYS 19 HA CYS 19 5.288 -9.054 0.608 291 HB2 CYS 19 HB2 CYS 19 2.692 -8.096 -0.551 292 HB3 CYS 19 HB1 CYS 19 2.781 -9.731 0.105 293 H GLY 20 H GLY 20 3.698 -8.981 -2.605 294 HA2 GLY 20 HA2 GLY 20 3.832 -10.493 -4.391 295 HA3 GLY 20 HA1 GLY 20 5.442 -10.895 -3.792 296 H GLU 21 H GLU 21 2.279 -12.044 -4.190 297 HA GLU 21 HA GLU 21 1.229 -14.040 -3.552 298 HB2 GLU 21 HB2 GLU 21 3.487 -14.839 -4.501 299 HB3 GLU 21 HB1 GLU 21 3.977 -15.045 -2.820 300 HG2 GLU 21 HG2 GLU 21 2.410 -16.732 -2.428 301 HG3 GLU 21 HG1 GLU 21 1.370 -16.210 -3.754 302 H ARG 22 H ARG 22 2.170 -11.928 -1.444 303 HA ARG 22 HA ARG 22 1.939 -13.712 0.943 304 HB2 ARG 22 HB2 ARG 22 3.718 -11.616 0.411 305 HB3 ARG 22 HB1 ARG 22 2.539 -10.921 1.525 306 HG2 ARG 22 HG2 ARG 22 3.658 -11.948 3.191 307 HG3 ARG 22 HG1 ARG 22 3.045 -13.474 2.551 308 HD2 ARG 22 HD2 ARG 22 5.172 -14.061 2.108 309 HD3 ARG 22 HD1 ARG 22 5.209 -12.786 0.890 310 HE ARG 22 HE ARG 22 5.820 -11.327 3.043 311 HH11 ARG 22 HH21 ARG 22 6.290 -14.184 4.268 312 HH12 ARG 22 HH22 ARG 22 8.019 -14.249 4.183 313 HH21 ARG 22 HH11 ARG 22 8.279 -11.545 2.029 314 HH22 ARG 22 HH12 ARG 22 9.144 -12.754 2.917 315 H GLY 23 H GLY 23 -0.275 -12.812 -0.818 316 HA2 GLY 23 HA2 GLY 23 -2.551 -12.402 -0.183 317 HA3 GLY 23 HA1 GLY 23 -1.975 -11.675 1.319 318 H ALA 24 H ALA 24 -3.776 -10.127 0.260 319 HA ALA 24 HA ALA 24 -2.508 -7.676 -0.344 320 HB1 ALA 24 HB1 ALA 24 -2.051 -7.780 -2.546 321 HB2 ALA 24 HB2 ALA 24 -3.758 -8.073 -2.875 322 HB3 ALA 24 HB3 ALA 24 -2.666 -9.431 -2.607 323 H PHE 25 H PHE 25 -5.384 -9.590 -1.267 324 HA PHE 25 HA PHE 25 -7.284 -7.578 -1.485 325 HB2 PHE 25 HB2 PHE 25 -8.930 -9.239 -0.540 326 HB3 PHE 25 HB1 PHE 25 -7.919 -9.889 -1.829 327 HD1 PHE 25 HD2 PHE 25 -5.959 -11.353 -1.269 328 HD2 PHE 25 HD1 PHE 25 -8.797 -10.088 1.701 329 HE1 PHE 25 HE2 PHE 25 -5.156 -13.134 0.259 330 HE2 PHE 25 HE1 PHE 25 -7.994 -11.868 3.228 331 HZ PHE 25 HZ PHE 25 -6.173 -13.393 2.508 332 H TYR 26 H TYR 26 -6.970 -5.814 -0.101 333 HA TYR 26 HA TYR 26 -7.127 -6.367 2.827 334 HB2 TYR 26 HB2 TYR 26 -6.329 -3.996 3.053 335 HB3 TYR 26 HB1 TYR 26 -5.190 -5.044 2.208 336 HD1 TYR 26 HD1 TYR 26 -8.010 -2.662 1.587 337 HD2 TYR 26 HD2 TYR 26 -4.423 -4.471 0.062 338 HE1 TYR 26 HE1 TYR 26 -8.095 -1.163 -0.388 339 HE2 TYR 26 HE2 TYR 26 -4.507 -2.971 -1.913 340 HH TYR 26 HH TYR 26 -6.706 -0.289 -2.091 341 H THR 27 H THR 27 -9.014 -5.354 0.214 342 HA THR 27 HA THR 27 -10.862 -3.877 2.046 343 HB THR 27 HB THR 27 -10.206 -2.441 0.233 344 HG1 THR 27 HG1 THR 27 -12.206 -1.928 -0.029 345 HG21 THR 27 HG21 THR 27 -9.303 -3.634 -1.497 346 HG22 THR 27 HG22 THR 27 -10.932 -3.480 -2.153 347 HG23 THR 27 HG23 THR 27 -10.453 -4.958 -1.319 348 H LYS 28 H LYS 28 -12.885 -4.722 2.355 349 HA LYS 28 HA LYS 28 -13.430 -7.391 1.332 350 HB2 LYS 28 HB2 LYS 28 -15.476 -5.720 2.767 351 HB3 LYS 28 HB1 LYS 28 -15.208 -7.459 2.845 352 HG2 LYS 28 HG2 LYS 28 -13.465 -5.286 4.035 353 HG3 LYS 28 HG1 LYS 28 -14.373 -6.525 4.902 354 HD2 LYS 28 HD2 LYS 28 -12.968 -8.279 3.995 355 HD3 LYS 28 HD1 LYS 28 -12.141 -7.130 2.942 356 HE2 LYS 28 HE2 LYS 28 -10.762 -6.451 4.600 357 HE3 LYS 28 HE1 LYS 28 -12.091 -6.313 5.752 358 HZ1 LYS 28 HZ1 LYS 28 -10.447 -8.668 5.093 359 HZ2 LYS 28 HZ2 LYS 28 -12.010 -8.870 5.728 360 HZ3 LYS 28 HZ3 LYS 28 -10.831 -8.026 6.615 361 HA PRO 29 HA PRO 29 -16.847 -5.068 -1.066 362 HB2 PRO 29 HB2 PRO 29 -16.670 -2.329 -1.185 363 HB3 PRO 29 HB1 PRO 29 -17.581 -3.197 0.063 364 HG2 PRO 29 HG2 PRO 29 -14.964 -1.792 0.288 365 HG3 PRO 29 HG1 PRO 29 -16.166 -2.134 1.544 366 HD2 PRO 29 HD2 PRO 29 -13.748 -3.552 1.104 367 HD3 PRO 29 HD1 PRO 29 -15.079 -4.051 2.167 368 H THR 30 H THR 30 -15.365 -6.071 -2.666 369 HA THR 30 HA THR 30 -14.318 -4.053 -4.557 370 HB THR 30 HB THR 30 -12.265 -4.429 -3.511 371 HG1 THR 30 HG1 THR 30 -11.807 -4.975 -5.547 372 HG21 THR 30 HG21 THR 30 -13.208 -7.278 -3.106 373 HG22 THR 30 HG22 THR 30 -12.985 -6.045 -1.865 374 HG23 THR 30 HG23 THR 30 -11.586 -6.716 -2.704 Start of MODEL 5 1 H1 GLY 1 HT1 GLY 1 -10.466 2.411 3.650 2 H2 GLY 1 HT2 GLY 1 -10.194 3.185 2.163 3 H3 GLY 1 HT3 GLY 1 -11.386 3.771 3.221 4 HA2 GLY 1 HA1 GLY 1 -8.874 4.707 3.160 5 HA3 GLY 1 HA2 GLY 1 -9.997 4.960 4.531 6 H ILE 2 H ILE 2 -8.119 2.342 2.766 7 HA ILE 2 HA ILE 2 -6.241 2.013 4.989 8 HB ILE 2 HB ILE 2 -6.907 0.005 3.883 9 HG12 ILE 2 HG12 ILE 2 -4.383 0.439 4.397 10 HG13 ILE 2 HG11 ILE 2 -4.818 -0.963 3.424 11 HG21 ILE 2 HG21 ILE 2 -6.134 -0.093 1.316 12 HG22 ILE 2 HG22 ILE 2 -6.451 1.638 1.433 13 HG23 ILE 2 HG23 ILE 2 -7.731 0.480 1.794 14 HD11 ILE 2 HD11 ILE 2 -3.679 -0.174 1.646 15 HD12 ILE 2 HD12 ILE 2 -3.027 1.071 2.710 16 HD13 ILE 2 HD13 ILE 2 -4.475 1.394 1.758 17 H VAL 3 H VAL 3 -6.238 3.474 1.782 18 HA VAL 3 HA VAL 3 -3.361 4.188 2.143 19 HB VAL 3 HB VAL 3 -3.550 4.908 -0.278 20 HG11 VAL 3 HG11 VAL 3 -4.361 2.112 -0.412 21 HG12 VAL 3 HG12 VAL 3 -3.204 2.411 0.886 22 HG13 VAL 3 HG13 VAL 3 -2.797 2.843 -0.771 23 HG21 VAL 3 HG21 VAL 3 -5.969 3.230 -0.586 24 HG22 VAL 3 HG22 VAL 3 -5.514 4.712 -1.428 25 HG23 VAL 3 HG23 VAL 3 -6.241 4.796 0.178 26 H GLU 4 H GLU 4 -6.053 5.401 3.200 27 HA GLU 4 HA GLU 4 -6.622 7.913 2.231 28 HB2 GLU 4 HB2 GLU 4 -7.099 8.618 4.527 29 HB3 GLU 4 HB1 GLU 4 -7.613 6.945 4.302 30 HG2 GLU 4 HG2 GLU 4 -5.679 6.101 5.433 31 HG3 GLU 4 HG1 GLU 4 -4.899 7.684 5.418 32 H GLN 5 H GLN 5 -3.622 6.879 3.712 33 HA GLN 5 HA GLN 5 -2.620 9.681 3.593 34 HB2 GLN 5 HB2 GLN 5 -0.604 8.462 4.819 35 HB3 GLN 5 HB1 GLN 5 -2.048 8.932 5.715 36 HG2 GLN 5 HG2 GLN 5 -2.938 6.718 5.637 37 HG3 GLN 5 HG1 GLN 5 -1.761 6.213 4.426 38 HE21 GLN 5 HE21 GLN 5 -1.481 4.495 6.323 39 HE22 GLN 5 HE22 GLN 5 -0.290 4.872 7.473 40 H CYS 6 H CYS 6 -1.772 6.353 2.576 41 HA CYS 6 HA CYS 6 0.568 7.129 1.106 42 HB2 CYS 6 HB2 CYS 6 -1.226 4.833 0.330 43 HB3 CYS 6 HB1 CYS 6 0.528 4.942 0.195 44 H CYS 7 H CYS 7 -2.814 7.395 0.531 45 HA CYS 7 HA CYS 7 -2.413 7.951 -2.351 46 HB2 CYS 7 HB2 CYS 7 -4.645 7.076 -0.678 47 HB3 CYS 7 HB1 CYS 7 -5.084 8.347 -1.812 48 H THR 8 H THR 8 -2.667 9.623 0.637 49 HA THR 8 HA THR 8 -3.673 12.085 -0.675 50 HB THR 8 HB THR 8 -4.421 11.290 1.659 51 HG1 THR 8 HG1 THR 8 -3.475 13.853 1.000 52 HG21 THR 8 HG21 THR 8 -3.003 11.568 3.489 53 HG22 THR 8 HG22 THR 8 -1.945 12.685 2.625 54 HG23 THR 8 HG23 THR 8 -1.888 10.960 2.267 55 H SER 9 H SER 9 -0.722 10.780 0.779 56 HA SER 9 HA SER 9 0.763 13.019 -0.488 57 HB2 SER 9 HB2 SER 9 2.177 12.792 1.811 58 HB3 SER 9 HB1 SER 9 0.894 13.976 1.583 59 HG SER 9 HG SER 9 0.397 11.351 2.518 60 H ILE 10 H ILE 10 2.228 10.885 1.864 61 HA ILE 10 HA ILE 10 3.310 9.202 -0.351 62 HB ILE 10 HB ILE 10 5.090 10.046 1.916 63 HG12 ILE 10 HG12 ILE 10 4.062 12.118 0.914 64 HG13 ILE 10 HG11 ILE 10 5.807 12.011 0.683 65 HG21 ILE 10 HG21 ILE 10 6.399 8.662 0.692 66 HG22 ILE 10 HG22 ILE 10 6.490 9.981 -0.475 67 HG23 ILE 10 HG23 ILE 10 5.292 8.703 -0.682 68 HD11 ILE 10 HD11 ILE 10 4.520 10.651 -1.487 69 HD12 ILE 10 HD12 ILE 10 5.535 12.091 -1.547 70 HD13 ILE 10 HD13 ILE 10 3.793 12.249 -1.318 71 H CYS 11 H CYS 11 4.806 7.421 0.975 72 HA CYS 11 HA CYS 11 3.694 6.582 3.514 73 HB2 CYS 11 HB2 CYS 11 2.313 5.782 1.108 74 HB3 CYS 11 HB1 CYS 11 3.003 4.365 1.900 75 H SER 12 H SER 12 4.585 4.395 4.130 76 HA SER 12 HA SER 12 7.249 4.015 2.843 77 HB2 SER 12 HB2 SER 12 7.374 2.535 5.107 78 HB3 SER 12 HB1 SER 12 7.794 4.243 5.053 79 HG SER 12 HG SER 12 6.316 4.044 6.663 80 H LEU 13 H LEU 13 7.744 2.021 1.912 81 HA LEU 13 HA LEU 13 5.578 0.288 1.235 82 HB2 LEU 13 HB2 LEU 13 7.084 -0.792 -0.120 83 HB3 LEU 13 HB1 LEU 13 8.028 0.663 0.187 84 HG LEU 13 HG LEU 13 8.239 -1.915 1.769 85 HD11 LEU 13 HD11 LEU 13 10.021 -2.524 0.458 86 HD12 LEU 13 HD12 LEU 13 10.487 -0.854 0.134 87 HD13 LEU 13 HD13 LEU 13 9.145 -1.582 -0.748 88 HD21 LEU 13 HD21 LEU 13 9.549 -0.786 3.228 89 HD22 LEU 13 HD22 LEU 13 8.903 0.689 2.508 90 HD23 LEU 13 HD23 LEU 13 10.427 0.018 1.926 91 H TYR 14 H TYR 14 7.794 0.281 3.937 92 HA TYR 14 HA TYR 14 7.218 -2.464 4.684 93 HB2 TYR 14 HB2 TYR 14 8.136 -1.648 6.976 94 HB3 TYR 14 HB1 TYR 14 9.242 -1.726 5.608 95 HD1 TYR 14 HD1 TYR 14 7.207 0.535 7.723 96 HD2 TYR 14 HD2 TYR 14 10.184 0.264 4.635 97 HE1 TYR 14 HE1 TYR 14 7.717 2.947 8.002 98 HE2 TYR 14 HE2 TYR 14 10.690 2.677 4.911 99 HH TYR 14 HH TYR 14 10.437 4.390 6.903 100 H GLN 15 H GLN 15 5.808 0.654 5.302 101 HA GLN 15 HA GLN 15 4.053 -0.301 7.406 102 HB2 GLN 15 HB2 GLN 15 3.443 1.892 7.595 103 HB3 GLN 15 HB1 GLN 15 4.871 2.167 6.616 104 HG2 GLN 15 HG2 GLN 15 3.569 2.331 4.609 105 HG3 GLN 15 HG1 GLN 15 2.121 1.743 5.420 106 HE21 GLN 15 HE21 GLN 15 4.453 4.175 6.650 107 HE22 GLN 15 HE22 GLN 15 3.324 5.440 6.733 108 H LEU 16 H LEU 16 4.098 -0.262 3.953 109 HA LEU 16 HA LEU 16 1.284 -0.595 3.471 110 HB2 LEU 16 HB2 LEU 16 3.815 -1.001 1.943 111 HB3 LEU 16 HB1 LEU 16 2.381 -1.840 1.358 112 HG LEU 16 HG LEU 16 2.839 0.517 0.432 113 HD11 LEU 16 HD11 LEU 16 0.166 0.870 1.358 114 HD12 LEU 16 HD12 LEU 16 0.434 -0.860 1.141 115 HD13 LEU 16 HD13 LEU 16 0.700 0.249 -0.203 116 HD21 LEU 16 HD21 LEU 16 3.066 1.214 3.048 117 HD22 LEU 16 HD22 LEU 16 1.376 1.614 2.759 118 HD23 LEU 16 HD23 LEU 16 2.640 2.351 1.773 119 H GLU 17 H GLU 17 3.905 -2.769 4.322 120 HA GLU 17 HA GLU 17 2.781 -5.259 3.674 121 HB2 GLU 17 HB2 GLU 17 4.812 -5.688 4.612 122 HB3 GLU 17 HB1 GLU 17 4.758 -4.231 5.596 123 HG2 GLU 17 HG2 GLU 17 4.795 -6.129 7.089 124 HG3 GLU 17 HG1 GLU 17 3.176 -5.434 7.152 125 H ASN 18 H ASN 18 1.798 -2.916 6.016 126 HA ASN 18 HA ASN 18 0.330 -4.511 7.839 127 HB2 ASN 18 HB2 ASN 18 0.100 -1.678 6.883 128 HB3 ASN 18 HB1 ASN 18 -1.171 -2.346 7.907 129 HD21 ASN 18 HD21 ASN 18 -0.492 -3.177 10.079 130 HD22 ASN 18 HD22 ASN 18 0.914 -2.564 10.806 131 H TYR 19 H TYR 19 -0.391 -3.579 4.571 132 HA TYR 19 HA TYR 19 -3.160 -4.635 4.829 133 HB2 TYR 19 HB2 TYR 19 -2.116 -3.486 2.270 134 HB3 TYR 19 HB1 TYR 19 -3.728 -3.368 2.977 135 HD1 TYR 19 HD2 TYR 19 -3.499 -2.291 5.557 136 HD2 TYR 19 HD1 TYR 19 -1.046 -1.423 2.137 137 HE1 TYR 19 HE2 TYR 19 -2.904 -0.094 6.543 138 HE2 TYR 19 HE1 TYR 19 -0.449 0.774 3.123 139 HH TYR 19 HH TYR 19 -1.462 2.380 4.781 140 H CYS 20 H CYS 20 -1.431 -6.678 5.065 141 HA CYS 20 HA CYS 20 -1.468 -7.945 2.370 142 HB2 CYS 20 HB2 CYS 20 0.649 -7.967 4.497 143 HB3 CYS 20 HB1 CYS 20 0.502 -9.333 3.390 144 H ASN 21 H ASN 21 -2.091 -8.248 5.780 145 HA ASN 21 HA ASN 21 -2.730 -11.112 5.579 146 HB2 ASN 21 HB2 ASN 21 -3.414 -9.323 7.907 147 HB3 ASN 21 HB1 ASN 21 -3.063 -11.052 7.916 148 HD21 ASN 21 HD21 ASN 21 -0.683 -11.358 6.674 149 HD22 ASN 21 HD22 ASN 21 0.531 -10.404 7.377 150 H1 PHE 1 HT1 PHE 1 10.267 0.701 -1.904 151 H2 PHE 1 HT2 PHE 1 8.760 0.109 -2.417 152 H3 PHE 1 HT3 PHE 1 8.839 1.415 -1.334 153 HA PHE 1 HA PHE 1 9.964 1.534 -4.071 154 HB2 PHE 1 HB2 PHE 1 7.794 3.030 -4.334 155 HB3 PHE 1 HB1 PHE 1 7.713 1.287 -4.595 156 HD1 PHE 1 HD2 PHE 1 6.866 -0.215 -2.785 157 HD2 PHE 1 HD1 PHE 1 6.696 4.069 -2.467 158 HE1 PHE 1 HE2 PHE 1 5.216 -0.416 -0.942 159 HE2 PHE 1 HE1 PHE 1 5.046 3.866 -0.625 160 HZ PHE 1 HZ PHE 1 4.307 1.624 0.138 161 H VAL 2 H VAL 2 9.480 4.099 -4.605 162 HA VAL 2 HA VAL 2 11.156 5.511 -2.669 163 HB VAL 2 HB VAL 2 10.748 7.454 -4.287 164 HG11 VAL 2 HG11 VAL 2 12.009 4.823 -5.016 165 HG12 VAL 2 HG12 VAL 2 12.789 6.347 -4.594 166 HG13 VAL 2 HG13 VAL 2 12.023 6.155 -6.171 167 HG21 VAL 2 HG21 VAL 2 9.823 5.495 -6.303 168 HG22 VAL 2 HG22 VAL 2 9.380 7.189 -6.094 169 HG23 VAL 2 HG23 VAL 2 8.623 5.950 -5.094 170 H ASN 3 H ASN 3 10.247 8.009 -2.432 171 HA ASN 3 HA ASN 3 7.667 7.652 -0.986 172 HB2 ASN 3 HB2 ASN 3 10.035 9.442 -0.660 173 HB3 ASN 3 HB1 ASN 3 8.461 10.072 -0.174 174 HD21 ASN 3 HD21 ASN 3 10.805 7.461 0.454 175 HD22 ASN 3 HD22 ASN 3 10.160 7.020 1.962 176 H GLN 4 H GLN 4 6.004 8.112 -2.384 177 HA GLN 4 HA GLN 4 5.798 10.832 -3.423 178 HB2 GLN 4 HB2 GLN 4 5.286 9.836 -5.784 179 HB3 GLN 4 HB1 GLN 4 6.969 10.075 -5.314 180 HG2 GLN 4 HG2 GLN 4 7.395 7.860 -5.381 181 HG3 GLN 4 HG1 GLN 4 5.959 7.488 -4.426 182 HE21 GLN 4 HE21 GLN 4 7.278 6.812 -7.368 183 HE22 GLN 4 HE22 GLN 4 5.866 6.614 -8.288 184 H HIS 5 H HIS 5 3.651 10.779 -4.921 185 HA HIS 5 HA HIS 5 1.591 9.579 -3.180 186 HB2 HIS 5 HB2 HIS 5 0.997 11.178 -5.656 187 HB3 HIS 5 HB1 HIS 5 0.089 11.092 -4.147 188 HD2 HIS 5 HD2 HIS 5 3.400 12.782 -5.494 189 HE1 HIS 5 HE1 HIS 5 2.244 14.669 -1.892 190 HE2 HIS 5 HE2 HIS 5 3.892 14.728 -3.838 191 H LEU 6 H LEU 6 0.318 7.852 -3.789 192 HA LEU 6 HA LEU 6 0.263 7.019 -6.607 193 HB2 LEU 6 HB2 LEU 6 0.945 4.695 -6.067 194 HB3 LEU 6 HB1 LEU 6 2.238 5.852 -5.810 195 HG LEU 6 HG LEU 6 2.198 4.257 -3.978 196 HD11 LEU 6 HD11 LEU 6 2.493 5.768 -2.297 197 HD12 LEU 6 HD12 LEU 6 0.957 6.575 -2.608 198 HD13 LEU 6 HD13 LEU 6 2.353 6.915 -3.629 199 HD21 LEU 6 HD21 LEU 6 -0.392 5.109 -2.870 200 HD22 LEU 6 HD22 LEU 6 0.336 3.505 -2.942 201 HD23 LEU 6 HD23 LEU 6 -0.506 4.152 -4.348 202 H CYS 7 H CYS 7 -1.511 5.616 -7.083 203 HA CYS 7 HA CYS 7 -3.303 4.791 -4.900 204 HB2 CYS 7 HB2 CYS 7 -4.065 6.930 -6.898 205 HB3 CYS 7 HB1 CYS 7 -5.250 6.019 -5.961 206 H GLY 8 H GLY 8 -5.234 3.611 -5.811 207 HA2 GLY 8 HA2 GLY 8 -6.112 1.939 -7.192 208 HA3 GLY 8 HA1 GLY 8 -5.472 2.877 -8.539 209 H SER 9 H SER 9 -4.416 1.429 -9.794 210 HA SER 9 HA SER 9 -3.211 -0.981 -8.991 211 HB2 SER 9 HB2 SER 9 -1.768 0.299 -11.182 212 HB3 SER 9 HB1 SER 9 -2.736 -1.172 -11.192 213 HG SER 9 HG SER 9 -3.401 0.993 -12.329 214 H ASP 10 H ASP 10 -2.120 2.248 -8.537 215 HA ASP 10 HA ASP 10 0.693 1.528 -8.252 216 HB2 ASP 10 HB2 ASP 10 -0.592 4.011 -7.127 217 HB3 ASP 10 HB1 ASP 10 1.064 3.801 -7.696 218 H LEU 11 H LEU 11 -2.115 1.713 -6.197 219 HA LEU 11 HA LEU 11 -0.709 1.712 -3.684 220 HB2 LEU 11 HB2 LEU 11 -3.432 0.521 -4.297 221 HB3 LEU 11 HB1 LEU 11 -2.820 0.961 -2.703 222 HG LEU 11 HG LEU 11 -3.089 2.954 -4.964 223 HD11 LEU 11 HD11 LEU 11 -5.318 2.087 -4.422 224 HD12 LEU 11 HD12 LEU 11 -5.140 3.725 -3.793 225 HD13 LEU 11 HD13 LEU 11 -5.017 2.344 -2.704 226 HD21 LEU 11 HD21 LEU 11 -1.775 3.031 -2.492 227 HD22 LEU 11 HD22 LEU 11 -3.285 3.900 -2.219 228 HD23 LEU 11 HD23 LEU 11 -2.191 4.416 -3.496 229 H VAL 12 H VAL 12 -1.568 -0.767 -6.007 230 HA VAL 12 HA VAL 12 -0.682 -2.884 -4.160 231 HB VAL 12 HB VAL 12 -0.794 -4.316 -6.306 232 HG11 VAL 12 HG11 VAL 12 -3.488 -3.225 -5.677 233 HG12 VAL 12 HG12 VAL 12 -2.535 -3.852 -4.331 234 HG13 VAL 12 HG13 VAL 12 -2.923 -4.896 -5.698 235 HG21 VAL 12 HG21 VAL 12 -0.802 -2.402 -7.869 236 HG22 VAL 12 HG22 VAL 12 -2.362 -1.892 -7.224 237 HG23 VAL 12 HG23 VAL 12 -2.218 -3.427 -8.079 238 H GLU 13 H GLU 13 0.514 -1.211 -7.081 239 HA GLU 13 HA GLU 13 2.856 -2.597 -7.589 240 HB2 GLU 13 HB2 GLU 13 2.518 -0.680 -8.929 241 HB3 GLU 13 HB1 GLU 13 2.267 0.361 -7.528 242 HG2 GLU 13 HG2 GLU 13 4.509 0.657 -7.173 243 HG3 GLU 13 HG1 GLU 13 4.914 -0.976 -7.706 244 H ALA 14 H ALA 14 2.009 -0.632 -4.887 245 HA ALA 14 HA ALA 14 4.629 -0.607 -3.631 246 HB1 ALA 14 HB1 ALA 14 3.214 0.212 -1.655 247 HB2 ALA 14 HB2 ALA 14 1.829 0.107 -2.743 248 HB3 ALA 14 HB3 ALA 14 3.156 1.208 -3.109 249 H LEU 15 H LEU 15 1.535 -2.156 -2.862 250 HA LEU 15 HA LEU 15 2.719 -3.963 -0.909 251 HB2 LEU 15 HB2 LEU 15 -0.006 -3.634 -2.147 252 HB3 LEU 15 HB1 LEU 15 0.356 -5.031 -1.135 253 HG LEU 15 HG LEU 15 1.239 -2.481 0.028 254 HD11 LEU 15 HD11 LEU 15 -1.420 -2.678 -1.122 255 HD12 LEU 15 HD12 LEU 15 -0.646 -1.299 -0.341 256 HD13 LEU 15 HD13 LEU 15 -1.505 -2.493 0.629 257 HD21 LEU 15 HD21 LEU 15 -0.207 -4.982 0.853 258 HD22 LEU 15 HD22 LEU 15 -0.268 -3.566 1.902 259 HD23 LEU 15 HD23 LEU 15 1.285 -4.297 1.497 260 H TYR 16 H TYR 16 2.832 -3.940 -4.196 261 HA TYR 16 HA TYR 16 2.380 -6.799 -4.668 262 HB2 TYR 16 HB2 TYR 16 1.709 -5.752 -6.583 263 HB3 TYR 16 HB1 TYR 16 2.715 -4.345 -6.281 264 HD1 TYR 16 HD1 TYR 16 2.835 -7.883 -7.445 265 HD2 TYR 16 HD2 TYR 16 4.748 -4.038 -7.405 266 HE1 TYR 16 HE1 TYR 16 4.487 -8.689 -9.118 267 HE2 TYR 16 HE2 TYR 16 6.402 -4.839 -9.078 268 HH TYR 16 HH TYR 16 7.088 -6.551 -10.308 269 H LEU 17 H LEU 17 5.085 -4.525 -4.492 270 HA LEU 17 HA LEU 17 6.964 -6.769 -4.968 271 HB2 LEU 17 HB2 LEU 17 8.557 -4.575 -4.542 272 HB3 LEU 17 HB1 LEU 17 8.012 -5.139 -6.115 273 HG LEU 17 HG LEU 17 5.973 -3.677 -5.837 274 HD11 LEU 17 HD11 LEU 17 6.149 -3.491 -3.359 275 HD12 LEU 17 HD12 LEU 17 6.054 -1.916 -4.148 276 HD13 LEU 17 HD13 LEU 17 7.605 -2.517 -3.562 277 HD21 LEU 17 HD21 LEU 17 8.781 -2.649 -6.042 278 HD22 LEU 17 HD22 LEU 17 7.442 -1.501 -6.053 279 HD23 LEU 17 HD23 LEU 17 7.537 -2.757 -7.287 280 H VAL 18 H VAL 18 5.534 -5.083 -2.388 281 HA VAL 18 HA VAL 18 7.754 -5.610 -0.522 282 HB VAL 18 HB VAL 18 6.415 -4.575 1.158 283 HG11 VAL 18 HG11 VAL 18 7.043 -2.714 -0.001 284 HG12 VAL 18 HG12 VAL 18 5.323 -2.620 -0.382 285 HG13 VAL 18 HG13 VAL 18 6.443 -3.348 -1.533 286 HG21 VAL 18 HG21 VAL 18 4.330 -5.703 0.906 287 HG22 VAL 18 HG22 VAL 18 4.131 -5.107 -0.741 288 HG23 VAL 18 HG23 VAL 18 3.986 -3.997 0.621 289 H CYS 19 H CYS 19 4.521 -6.827 -1.214 290 HA CYS 19 HA CYS 19 5.038 -9.125 0.614 291 HB2 CYS 19 HB2 CYS 19 2.591 -7.713 -0.314 292 HB3 CYS 19 HB1 CYS 19 2.456 -9.460 -0.106 293 H GLY 20 H GLY 20 3.248 -8.690 -2.461 294 HA2 GLY 20 HA2 GLY 20 3.966 -9.801 -4.529 295 HA3 GLY 20 HA1 GLY 20 4.759 -11.028 -3.540 296 H GLU 21 H GLU 21 3.656 -12.908 -3.315 297 HA GLU 21 HA GLU 21 0.798 -12.960 -4.107 298 HB2 GLU 21 HB2 GLU 21 2.610 -14.606 -4.963 299 HB3 GLU 21 HB1 GLU 21 2.461 -15.366 -3.379 300 HG2 GLU 21 HG2 GLU 21 -0.165 -14.850 -4.450 301 HG3 GLU 21 HG1 GLU 21 0.789 -15.754 -5.628 302 H ARG 22 H ARG 22 2.320 -12.299 -1.336 303 HA ARG 22 HA ARG 22 1.157 -14.147 0.540 304 HB2 ARG 22 HB2 ARG 22 1.835 -11.264 1.144 305 HB3 ARG 22 HB1 ARG 22 1.902 -12.652 2.232 306 HG2 ARG 22 HG2 ARG 22 3.657 -13.609 0.591 307 HG3 ARG 22 HG1 ARG 22 3.758 -11.967 -0.046 308 HD2 ARG 22 HD2 ARG 22 5.156 -11.443 1.637 309 HD3 ARG 22 HD1 ARG 22 3.840 -11.734 2.774 310 HE ARG 22 HE ARG 22 4.838 -14.268 2.224 311 HH11 ARG 22 HH21 ARG 22 5.042 -12.806 4.894 312 HH12 ARG 22 HH22 ARG 22 6.754 -12.839 5.161 313 HH21 ARG 22 HH11 ARG 22 7.518 -13.650 1.878 314 HH22 ARG 22 HH12 ARG 22 8.155 -13.314 3.453 315 H GLY 23 H GLY 23 -0.256 -11.798 -1.423 316 HA2 GLY 23 HA2 GLY 23 -2.857 -12.070 -1.031 317 HA3 GLY 23 HA1 GLY 23 -2.468 -11.262 0.489 318 H ALA 24 H ALA 24 -1.789 -9.056 0.428 319 HA ALA 24 HA ALA 24 -1.644 -6.883 -0.463 320 HB1 ALA 24 HB1 ALA 24 -1.790 -7.318 -3.265 321 HB2 ALA 24 HB2 ALA 24 -0.799 -8.615 -2.597 322 HB3 ALA 24 HB3 ALA 24 -0.360 -6.931 -2.310 323 H PHE 25 H PHE 25 -4.145 -7.928 0.230 324 HA PHE 25 HA PHE 25 -5.872 -6.441 -1.662 325 HB2 PHE 25 HB2 PHE 25 -7.546 -8.221 -1.692 326 HB3 PHE 25 HB1 PHE 25 -6.006 -8.858 -2.271 327 HD1 PHE 25 HD2 PHE 25 -4.410 -9.765 -0.311 328 HD2 PHE 25 HD1 PHE 25 -8.692 -9.471 -0.094 329 HE1 PHE 25 HE2 PHE 25 -4.436 -11.475 1.487 330 HE2 PHE 25 HE1 PHE 25 -8.718 -11.181 1.705 331 HZ PHE 25 HZ PHE 25 -6.589 -12.183 2.496 332 H TYR 26 H TYR 26 -6.671 -4.871 -0.342 333 HA TYR 26 HA TYR 26 -7.407 -5.621 2.452 334 HB2 TYR 26 HB2 TYR 26 -7.528 -3.053 2.700 335 HB3 TYR 26 HB1 TYR 26 -5.927 -3.769 2.509 336 HD1 TYR 26 HD1 TYR 26 -8.715 -2.162 0.616 337 HD2 TYR 26 HD2 TYR 26 -4.539 -3.175 0.686 338 HE1 TYR 26 HE1 TYR 26 -8.351 -0.801 -1.426 339 HE2 TYR 26 HE2 TYR 26 -4.174 -1.813 -1.356 340 HH TYR 26 HH TYR 26 -6.112 0.463 -2.416 341 H THR 27 H THR 27 -8.746 -4.997 -0.598 342 HA THR 27 HA THR 27 -11.240 -3.799 0.366 343 HB THR 27 HB THR 27 -11.969 -3.938 -1.938 344 HG1 THR 27 HG1 THR 27 -9.726 -5.646 -2.226 345 HG21 THR 27 HG21 THR 27 -8.996 -3.348 -1.857 346 HG22 THR 27 HG22 THR 27 -10.266 -2.217 -1.388 347 HG23 THR 27 HG23 THR 27 -10.142 -2.758 -3.062 348 H LYS 28 H LYS 28 -13.351 -4.945 -0.031 349 HA LYS 28 HA LYS 28 -13.240 -7.883 -0.124 350 HB2 LYS 28 HB2 LYS 28 -13.156 -6.593 2.371 351 HB3 LYS 28 HB1 LYS 28 -14.831 -7.111 2.178 352 HG2 LYS 28 HG2 LYS 28 -14.085 -9.128 2.903 353 HG3 LYS 28 HG1 LYS 28 -13.453 -9.308 1.266 354 HD2 LYS 28 HD2 LYS 28 -11.388 -9.442 2.153 355 HD3 LYS 28 HD1 LYS 28 -11.548 -7.751 2.631 356 HE2 LYS 28 HE2 LYS 28 -12.944 -9.642 4.409 357 HE3 LYS 28 HE1 LYS 28 -11.190 -9.834 4.384 358 HZ1 LYS 28 HZ1 LYS 28 -12.333 -7.137 4.594 359 HZ2 LYS 28 HZ2 LYS 28 -10.851 -7.730 5.178 360 HZ3 LYS 28 HZ3 LYS 28 -12.299 -8.122 5.974 361 HA PRO 29 HA PRO 29 -17.019 -5.995 -1.936 362 HB2 PRO 29 HB2 PRO 29 -16.769 -7.288 -4.349 363 HB3 PRO 29 HB1 PRO 29 -16.024 -5.720 -3.996 364 HG2 PRO 29 HG2 PRO 29 -14.743 -8.406 -4.186 365 HG3 PRO 29 HG1 PRO 29 -14.038 -6.805 -4.464 366 HD2 PRO 29 HD2 PRO 29 -13.709 -8.378 -2.133 367 HD3 PRO 29 HD1 PRO 29 -13.296 -6.657 -2.300 368 H THR 30 H THR 30 -18.158 -7.387 -0.373 369 HA THR 30 HA THR 30 -19.173 -9.871 -1.653 370 HB THR 30 HB THR 30 -18.922 -11.154 0.390 371 HG1 THR 30 HG1 THR 30 -18.298 -8.634 1.394 372 HG21 THR 30 HG21 THR 30 -16.347 -9.666 -0.189 373 HG22 THR 30 HG22 THR 30 -16.963 -11.019 -1.137 374 HG23 THR 30 HG23 THR 30 -16.486 -11.263 0.543 Start of MODEL 6 1 H1 GLY 1 HT1 GLY 1 -10.864 4.387 5.482 2 H2 GLY 1 HT2 GLY 1 -11.227 5.144 4.006 3 H3 GLY 1 HT3 GLY 1 -9.831 5.585 4.867 4 HA2 GLY 1 HA1 GLY 1 -9.926 2.829 4.151 5 HA3 GLY 1 HA2 GLY 1 -9.825 3.914 2.730 6 H ILE 2 H ILE 2 -7.871 2.395 2.687 7 HA ILE 2 HA ILE 2 -6.183 2.188 5.122 8 HB ILE 2 HB ILE 2 -6.883 0.230 3.462 9 HG12 ILE 2 HG12 ILE 2 -5.586 -0.406 5.298 10 HG13 ILE 2 HG11 ILE 2 -4.526 -0.805 3.949 11 HG21 ILE 2 HG21 ILE 2 -5.048 -0.203 1.822 12 HG22 ILE 2 HG22 ILE 2 -4.417 1.409 2.154 13 HG23 ILE 2 HG23 ILE 2 -6.013 1.219 1.425 14 HD11 ILE 2 HD11 ILE 2 -3.280 1.259 4.247 15 HD12 ILE 2 HD12 ILE 2 -3.363 0.425 5.798 16 HD13 ILE 2 HD13 ILE 2 -4.409 1.806 5.486 17 H VAL 3 H VAL 3 -6.335 3.739 2.014 18 HA VAL 3 HA VAL 3 -3.496 4.612 2.270 19 HB VAL 3 HB VAL 3 -3.562 5.135 -0.049 20 HG11 VAL 3 HG11 VAL 3 -3.435 2.756 0.298 21 HG12 VAL 3 HG12 VAL 3 -4.530 3.033 -1.057 22 HG13 VAL 3 HG13 VAL 3 -5.179 2.645 0.535 23 HG21 VAL 3 HG21 VAL 3 -5.623 6.343 -0.236 24 HG22 VAL 3 HG22 VAL 3 -6.566 4.946 0.281 25 HG23 VAL 3 HG23 VAL 3 -5.787 4.947 -1.301 26 H GLU 4 H GLU 4 -6.267 5.651 3.489 27 HA GLU 4 HA GLU 4 -6.903 8.199 2.657 28 HB2 GLU 4 HB2 GLU 4 -6.966 8.733 5.240 29 HB3 GLU 4 HB1 GLU 4 -8.073 7.538 4.563 30 HG2 GLU 4 HG2 GLU 4 -6.774 5.722 5.344 31 HG3 GLU 4 HG1 GLU 4 -5.360 6.741 5.617 32 H GLN 5 H GLN 5 -3.910 7.170 4.169 33 HA GLN 5 HA GLN 5 -2.956 9.996 4.122 34 HB2 GLN 5 HB2 GLN 5 -0.956 8.683 5.392 35 HB3 GLN 5 HB1 GLN 5 -2.350 9.358 6.234 36 HG2 GLN 5 HG2 GLN 5 -3.507 7.148 5.983 37 HG3 GLN 5 HG1 GLN 5 -2.022 6.493 5.292 38 HE21 GLN 5 HE21 GLN 5 -2.334 5.049 7.368 39 HE22 GLN 5 HE22 GLN 5 -1.592 5.615 8.786 40 H CYS 6 H CYS 6 -1.599 6.729 3.491 41 HA CYS 6 HA CYS 6 0.669 7.434 2.076 42 HB2 CYS 6 HB2 CYS 6 -1.219 5.225 1.229 43 HB3 CYS 6 HB1 CYS 6 0.517 5.303 0.935 44 H CYS 7 H CYS 7 -2.657 7.357 0.811 45 HA CYS 7 HA CYS 7 -1.896 7.979 -1.896 46 HB2 CYS 7 HB2 CYS 7 -4.386 7.740 -0.355 47 HB3 CYS 7 HB1 CYS 7 -4.454 8.934 -1.645 48 H THR 8 H THR 8 -3.151 10.016 0.767 49 HA THR 8 HA THR 8 -2.824 12.459 -0.781 50 HB THR 8 HB THR 8 -4.502 12.308 1.015 51 HG1 THR 8 HG1 THR 8 -3.580 14.336 0.549 52 HG21 THR 8 HG21 THR 8 -3.002 10.802 2.444 53 HG22 THR 8 HG22 THR 8 -3.918 12.038 3.305 54 HG23 THR 8 HG23 THR 8 -2.203 12.282 2.973 55 H SER 9 H SER 9 -1.045 10.989 1.952 56 HA SER 9 HA SER 9 1.207 12.858 1.352 57 HB2 SER 9 HB2 SER 9 1.864 11.644 3.718 58 HB3 SER 9 HB1 SER 9 1.038 13.191 3.587 59 HG SER 9 HG SER 9 -0.486 12.179 4.634 60 H ILE 10 H ILE 10 3.265 11.412 2.551 61 HA ILE 10 HA ILE 10 3.680 9.311 0.522 62 HB ILE 10 HB ILE 10 5.650 10.064 2.674 63 HG12 ILE 10 HG12 ILE 10 4.615 12.126 1.528 64 HG13 ILE 10 HG11 ILE 10 6.369 11.976 1.450 65 HG21 ILE 10 HG21 ILE 10 7.001 9.791 0.321 66 HG22 ILE 10 HG22 ILE 10 5.648 8.690 0.053 67 HG23 ILE 10 HG23 ILE 10 6.707 8.462 1.443 68 HD11 ILE 10 HD11 ILE 10 4.564 10.917 -0.733 69 HD12 ILE 10 HD12 ILE 10 6.303 11.199 -0.804 70 HD13 ILE 10 HD13 ILE 10 5.190 12.567 -0.745 71 H CYS 11 H CYS 11 5.032 7.335 1.550 72 HA CYS 11 HA CYS 11 4.127 6.518 4.203 73 HB2 CYS 11 HB2 CYS 11 2.644 5.733 1.791 74 HB3 CYS 11 HB1 CYS 11 3.162 4.364 2.774 75 H SER 12 H SER 12 5.098 4.455 4.830 76 HA SER 12 HA SER 12 7.634 3.975 3.403 77 HB2 SER 12 HB2 SER 12 7.576 2.165 5.450 78 HB3 SER 12 HB1 SER 12 8.199 3.806 5.596 79 HG SER 12 HG SER 12 6.542 4.295 6.793 80 H LEU 13 H LEU 13 7.902 2.300 1.996 81 HA LEU 13 HA LEU 13 5.781 0.701 1.072 82 HB2 LEU 13 HB2 LEU 13 7.550 -0.738 0.058 83 HB3 LEU 13 HB1 LEU 13 7.827 0.980 -0.226 84 HG LEU 13 HG LEU 13 9.027 -0.161 2.244 85 HD11 LEU 13 HD11 LEU 13 10.342 -1.689 1.253 86 HD12 LEU 13 HD12 LEU 13 10.840 -0.524 0.025 87 HD13 LEU 13 HD13 LEU 13 9.385 -1.492 -0.215 88 HD21 LEU 13 HD21 LEU 13 10.122 1.800 2.096 89 HD22 LEU 13 HD22 LEU 13 9.251 2.160 0.605 90 HD23 LEU 13 HD23 LEU 13 10.799 1.317 0.541 91 H TYR 14 H TYR 14 7.989 0.165 3.735 92 HA TYR 14 HA TYR 14 7.264 -2.616 4.090 93 HB2 TYR 14 HB2 TYR 14 8.385 -2.419 6.283 94 HB3 TYR 14 HB1 TYR 14 9.383 -1.762 4.988 95 HD1 TYR 14 HD1 TYR 14 6.810 -0.712 7.506 96 HD2 TYR 14 HD2 TYR 14 10.249 0.400 5.182 97 HE1 TYR 14 HE1 TYR 14 6.909 1.464 8.693 98 HE2 TYR 14 HE2 TYR 14 10.349 2.576 6.367 99 HH TYR 14 HH TYR 14 8.041 3.353 8.976 100 H GLN 15 H GLN 15 6.020 0.439 5.233 101 HA GLN 15 HA GLN 15 4.248 -0.745 7.188 102 HB2 GLN 15 HB2 GLN 15 3.778 1.412 7.738 103 HB3 GLN 15 HB1 GLN 15 5.160 1.780 6.722 104 HG2 GLN 15 HG2 GLN 15 3.613 3.181 5.746 105 HG3 GLN 15 HG1 GLN 15 3.287 1.723 4.811 106 HE21 GLN 15 HE21 GLN 15 1.461 4.022 5.827 107 HE22 GLN 15 HE22 GLN 15 0.175 3.205 6.576 108 H LEU 16 H LEU 16 4.123 0.007 3.784 109 HA LEU 16 HA LEU 16 1.313 -0.209 3.373 110 HB2 LEU 16 HB2 LEU 16 3.762 -0.428 1.685 111 HB3 LEU 16 HB1 LEU 16 2.276 -1.126 1.035 112 HG LEU 16 HG LEU 16 1.139 1.058 1.591 113 HD11 LEU 16 HD11 LEU 16 3.666 2.530 1.538 114 HD12 LEU 16 HD12 LEU 16 3.456 1.549 2.986 115 HD13 LEU 16 HD13 LEU 16 2.250 2.759 2.563 116 HD21 LEU 16 HD21 LEU 16 1.585 0.812 -0.693 117 HD22 LEU 16 HD22 LEU 16 3.331 0.769 -0.442 118 HD23 LEU 16 HD23 LEU 16 2.460 2.297 -0.318 119 H GLU 17 H GLU 17 3.881 -2.610 3.645 120 HA GLU 17 HA GLU 17 2.468 -4.886 2.724 121 HB2 GLU 17 HB2 GLU 17 4.670 -5.419 3.195 122 HB3 GLU 17 HB1 GLU 17 4.724 -4.384 4.619 123 HG2 GLU 17 HG2 GLU 17 3.878 -6.014 6.010 124 HG3 GLU 17 HG1 GLU 17 2.945 -6.778 4.723 125 H ASN 18 H ASN 18 2.003 -2.892 5.483 126 HA ASN 18 HA ASN 18 0.706 -4.737 7.242 127 HB2 ASN 18 HB2 ASN 18 1.534 -2.308 7.675 128 HB3 ASN 18 HB1 ASN 18 -0.045 -1.826 7.052 129 HD21 ASN 18 HD21 ASN 18 0.731 -1.399 9.805 130 HD22 ASN 18 HD22 ASN 18 -0.267 -2.363 10.781 131 H TYR 19 H TYR 19 -0.335 -3.264 4.304 132 HA TYR 19 HA TYR 19 -3.190 -3.493 4.886 133 HB2 TYR 19 HB2 TYR 19 -1.987 -3.235 2.134 134 HB3 TYR 19 HB1 TYR 19 -3.559 -2.677 2.696 135 HD1 TYR 19 HD2 TYR 19 -2.059 -1.754 5.446 136 HD2 TYR 19 HD1 TYR 19 -1.656 -0.884 1.256 137 HE1 TYR 19 HE2 TYR 19 -1.074 0.454 5.999 138 HE2 TYR 19 HE1 TYR 19 -0.677 1.326 1.810 139 HH TYR 19 HH TYR 19 -0.885 2.730 4.810 140 H CYS 20 H CYS 20 -0.877 -5.774 4.384 141 HA CYS 20 HA CYS 20 -2.355 -7.505 2.546 142 HB2 CYS 20 HB2 CYS 20 -0.052 -8.251 4.361 143 HB3 CYS 20 HB1 CYS 20 -0.580 -9.093 2.905 144 H ASN 21 H ASN 21 -2.198 -9.991 3.769 145 HA ASN 21 HA ASN 21 -4.539 -10.022 5.395 146 HB2 ASN 21 HB2 ASN 21 -2.365 -12.128 5.294 147 HB3 ASN 21 HB1 ASN 21 -4.048 -12.369 5.766 148 HD21 ASN 21 HD21 ASN 21 -5.621 -12.597 4.089 149 HD22 ASN 21 HD22 ASN 21 -5.220 -12.602 2.438 150 H1 PHE 1 HT1 PHE 1 9.037 -0.496 -2.862 151 H2 PHE 1 HT2 PHE 1 9.010 0.684 -1.640 152 H3 PHE 1 HT3 PHE 1 10.491 0.045 -2.176 153 HA PHE 1 HA PHE 1 10.314 1.100 -4.269 154 HB2 PHE 1 HB2 PHE 1 8.260 2.528 -4.715 155 HB3 PHE 1 HB1 PHE 1 7.977 0.787 -4.733 156 HD1 PHE 1 HD2 PHE 1 7.035 -0.335 -2.665 157 HD2 PHE 1 HD1 PHE 1 7.181 3.935 -3.128 158 HE1 PHE 1 HE2 PHE 1 5.355 -0.081 -0.856 159 HE2 PHE 1 HE1 PHE 1 5.502 4.189 -1.320 160 HZ PHE 1 HZ PHE 1 4.589 2.181 -0.184 161 H VAL 2 H VAL 2 9.787 3.742 -4.497 162 HA VAL 2 HA VAL 2 11.442 4.888 -2.377 163 HB VAL 2 HB VAL 2 11.430 6.898 -3.708 164 HG11 VAL 2 HG11 VAL 2 11.831 5.814 -6.061 165 HG12 VAL 2 HG12 VAL 2 11.592 4.292 -5.202 166 HG13 VAL 2 HG13 VAL 2 12.896 5.381 -4.724 167 HG21 VAL 2 HG21 VAL 2 9.186 5.583 -5.271 168 HG22 VAL 2 HG22 VAL 2 9.927 7.138 -5.649 169 HG23 VAL 2 HG23 VAL 2 9.000 6.941 -4.162 170 H ASN 3 H ASN 3 10.482 7.369 -1.897 171 HA ASN 3 HA ASN 3 7.914 6.798 -0.489 172 HB2 ASN 3 HB2 ASN 3 8.650 9.000 0.742 173 HB3 ASN 3 HB1 ASN 3 9.440 7.476 1.146 174 HD21 ASN 3 HD21 ASN 3 10.061 10.678 0.202 175 HD22 ASN 3 HD22 ASN 3 11.659 10.471 -0.330 176 H GLN 4 H GLN 4 6.228 7.487 -1.749 177 HA GLN 4 HA GLN 4 6.067 10.320 -2.441 178 HB2 GLN 4 HB2 GLN 4 5.514 9.706 -4.886 179 HB3 GLN 4 HB1 GLN 4 7.216 9.707 -4.425 180 HG2 GLN 4 HG2 GLN 4 7.157 7.278 -4.100 181 HG3 GLN 4 HG1 GLN 4 5.436 7.252 -4.483 182 HE21 GLN 4 HE21 GLN 4 4.986 6.773 -6.635 183 HE22 GLN 4 HE22 GLN 4 6.043 7.038 -7.936 184 H HIS 5 H HIS 5 3.893 10.427 -3.970 185 HA HIS 5 HA HIS 5 1.825 9.151 -2.294 186 HB2 HIS 5 HB2 HIS 5 1.254 10.916 -4.664 187 HB3 HIS 5 HB1 HIS 5 0.331 10.731 -3.173 188 HD2 HIS 5 HD2 HIS 5 3.445 12.697 -4.503 189 HE1 HIS 5 HE1 HIS 5 2.650 13.969 -0.550 190 HE2 HIS 5 HE2 HIS 5 4.043 14.413 -2.641 191 H LEU 6 H LEU 6 0.513 7.485 -3.011 192 HA LEU 6 HA LEU 6 0.524 6.817 -5.882 193 HB2 LEU 6 HB2 LEU 6 1.050 4.429 -5.419 194 HB3 LEU 6 HB1 LEU 6 2.392 5.507 -5.073 195 HG LEU 6 HG LEU 6 2.188 3.835 -3.313 196 HD11 LEU 6 HD11 LEU 6 2.495 6.484 -2.872 197 HD12 LEU 6 HD12 LEU 6 2.588 5.271 -1.598 198 HD13 LEU 6 HD13 LEU 6 1.090 6.165 -1.854 199 HD21 LEU 6 HD21 LEU 6 -0.366 4.841 -2.242 200 HD22 LEU 6 HD22 LEU 6 0.253 3.195 -2.332 201 HD23 LEU 6 HD23 LEU 6 -0.503 3.926 -3.745 202 H CYS 7 H CYS 7 -1.280 5.577 -6.530 203 HA CYS 7 HA CYS 7 -3.227 4.681 -4.516 204 HB2 CYS 7 HB2 CYS 7 -3.954 6.861 -6.497 205 HB3 CYS 7 HB1 CYS 7 -5.053 6.085 -5.360 206 H GLY 8 H GLY 8 -5.212 3.762 -5.711 207 HA2 GLY 8 HA2 GLY 8 -6.034 2.205 -7.250 208 HA3 GLY 8 HA1 GLY 8 -5.264 3.213 -8.470 209 H SER 9 H SER 9 -4.391 1.649 -9.769 210 HA SER 9 HA SER 9 -3.256 -0.806 -9.020 211 HB2 SER 9 HB2 SER 9 -3.218 0.911 -11.386 212 HB3 SER 9 HB1 SER 9 -1.730 -0.012 -11.199 213 HG SER 9 HG SER 9 -2.962 -1.890 -11.090 214 H ASP 10 H ASP 10 -2.012 2.372 -8.590 215 HA ASP 10 HA ASP 10 0.777 1.552 -8.402 216 HB2 ASP 10 HB2 ASP 10 -0.593 4.048 -7.360 217 HB3 ASP 10 HB1 ASP 10 1.149 3.814 -7.479 218 H LEU 11 H LEU 11 -1.948 1.749 -6.247 219 HA LEU 11 HA LEU 11 -0.489 1.610 -3.780 220 HB2 LEU 11 HB2 LEU 11 -3.280 0.875 -4.617 221 HB3 LEU 11 HB1 LEU 11 -2.691 0.386 -3.030 222 HG LEU 11 HG LEU 11 -2.282 3.221 -3.888 223 HD11 LEU 11 HD11 LEU 11 -4.681 2.605 -4.378 224 HD12 LEU 11 HD12 LEU 11 -4.495 3.855 -3.146 225 HD13 LEU 11 HD13 LEU 11 -4.862 2.195 -2.675 226 HD21 LEU 11 HD21 LEU 11 -2.560 3.570 -1.453 227 HD22 LEU 11 HD22 LEU 11 -1.316 2.365 -1.787 228 HD23 LEU 11 HD23 LEU 11 -2.916 1.854 -1.255 229 H VAL 12 H VAL 12 -1.582 -0.775 -6.112 230 HA VAL 12 HA VAL 12 -0.693 -3.006 -4.458 231 HB VAL 12 HB VAL 12 -0.910 -4.327 -6.614 232 HG11 VAL 12 HG11 VAL 12 -3.557 -3.486 -6.584 233 HG12 VAL 12 HG12 VAL 12 -2.960 -3.042 -4.985 234 HG13 VAL 12 HG13 VAL 12 -2.849 -4.714 -5.535 235 HG21 VAL 12 HG21 VAL 12 -2.121 -3.252 -8.456 236 HG22 VAL 12 HG22 VAL 12 -0.587 -2.437 -8.163 237 HG23 VAL 12 HG23 VAL 12 -2.093 -1.715 -7.594 238 H GLU 13 H GLU 13 0.601 -1.287 -7.335 239 HA GLU 13 HA GLU 13 2.889 -2.754 -7.835 240 HB2 GLU 13 HB2 GLU 13 2.576 -0.762 -9.119 241 HB3 GLU 13 HB1 GLU 13 2.523 0.245 -7.671 242 HG2 GLU 13 HG2 GLU 13 4.781 0.393 -7.553 243 HG3 GLU 13 HG1 GLU 13 4.997 -1.321 -7.913 244 H ALA 14 H ALA 14 2.192 -0.621 -5.193 245 HA ALA 14 HA ALA 14 4.759 -0.826 -3.872 246 HB1 ALA 14 HB1 ALA 14 2.314 0.610 -3.552 247 HB2 ALA 14 HB2 ALA 14 3.838 0.871 -2.705 248 HB3 ALA 14 HB3 ALA 14 2.641 -0.239 -2.041 249 H LEU 15 H LEU 15 1.550 -2.089 -3.030 250 HA LEU 15 HA LEU 15 2.456 -3.919 -1.044 251 HB2 LEU 15 HB2 LEU 15 -0.031 -3.555 -2.644 252 HB3 LEU 15 HB1 LEU 15 0.202 -5.124 -1.873 253 HG LEU 15 HG LEU 15 0.869 -2.931 -0.072 254 HD11 LEU 15 HD11 LEU 15 -1.745 -2.902 -1.534 255 HD12 LEU 15 HD12 LEU 15 -0.788 -1.551 -0.927 256 HD13 LEU 15 HD13 LEU 15 -1.749 -2.522 0.188 257 HD21 LEU 15 HD21 LEU 15 -0.088 -4.348 1.464 258 HD22 LEU 15 HD22 LEU 15 0.153 -5.523 0.170 259 HD23 LEU 15 HD23 LEU 15 -1.427 -4.769 0.395 260 H TYR 16 H TYR 16 1.310 -4.635 -4.293 261 HA TYR 16 HA TYR 16 1.757 -7.203 -4.778 262 HB2 TYR 16 HB2 TYR 16 1.281 -6.146 -6.749 263 HB3 TYR 16 HB1 TYR 16 2.340 -4.789 -6.401 264 HD1 TYR 16 HD1 TYR 16 2.469 -8.430 -7.238 265 HD2 TYR 16 HD2 TYR 16 4.384 -4.595 -7.503 266 HE1 TYR 16 HE1 TYR 16 4.213 -9.407 -8.714 267 HE2 TYR 16 HE2 TYR 16 6.130 -5.568 -8.979 268 HH TYR 16 HH TYR 16 6.888 -7.400 -9.968 269 H LEU 17 H LEU 17 4.569 -4.939 -4.489 270 HA LEU 17 HA LEU 17 6.282 -7.372 -4.620 271 HB2 LEU 17 HB2 LEU 17 8.079 -5.332 -4.452 272 HB3 LEU 17 HB1 LEU 17 7.464 -6.001 -5.958 273 HG LEU 17 HG LEU 17 5.585 -4.286 -5.803 274 HD11 LEU 17 HD11 LEU 17 5.729 -2.534 -4.248 275 HD12 LEU 17 HD12 LEU 17 7.445 -2.804 -3.966 276 HD13 LEU 17 HD13 LEU 17 6.257 -3.913 -3.293 277 HD21 LEU 17 HD21 LEU 17 7.034 -3.575 -7.416 278 HD22 LEU 17 HD22 LEU 17 8.449 -3.844 -6.398 279 HD23 LEU 17 HD23 LEU 17 7.491 -2.375 -6.207 280 H VAL 18 H VAL 18 5.187 -5.030 -2.265 281 HA VAL 18 HA VAL 18 7.373 -5.533 -0.414 282 HB VAL 18 HB VAL 18 6.102 -4.333 1.217 283 HG11 VAL 18 HG11 VAL 18 6.630 -2.516 -0.008 284 HG12 VAL 18 HG12 VAL 18 4.987 -2.581 -0.648 285 HG13 VAL 18 HG13 VAL 18 6.304 -3.365 -1.519 286 HG21 VAL 18 HG21 VAL 18 3.775 -5.066 -0.536 287 HG22 VAL 18 HG22 VAL 18 3.668 -3.705 0.573 288 HG23 VAL 18 HG23 VAL 18 3.974 -5.327 1.193 289 H CYS 19 H CYS 19 4.141 -6.826 -0.861 290 HA CYS 19 HA CYS 19 4.640 -8.837 1.270 291 HB2 CYS 19 HB2 CYS 19 2.234 -7.661 -0.003 292 HB3 CYS 19 HB1 CYS 19 2.127 -9.381 0.375 293 H GLY 20 H GLY 20 4.332 -8.467 -2.189 294 HA2 GLY 20 HA2 GLY 20 4.937 -9.980 -3.888 295 HA3 GLY 20 HA1 GLY 20 5.447 -11.111 -2.635 296 H GLU 21 H GLU 21 4.274 -12.955 -2.636 297 HA GLU 21 HA GLU 21 1.518 -12.881 -3.756 298 HB2 GLU 21 HB2 GLU 21 3.586 -14.596 -4.261 299 HB3 GLU 21 HB1 GLU 21 2.699 -15.486 -3.024 300 HG2 GLU 21 HG2 GLU 21 0.806 -14.361 -4.856 301 HG3 GLU 21 HG1 GLU 21 2.043 -15.209 -5.783 302 H ARG 22 H ARG 22 2.159 -11.933 -1.032 303 HA ARG 22 HA ARG 22 1.053 -14.048 0.712 304 HB2 ARG 22 HB2 ARG 22 2.916 -12.177 1.227 305 HB3 ARG 22 HB1 ARG 22 1.481 -11.283 1.731 306 HG2 ARG 22 HG2 ARG 22 0.823 -13.258 3.138 307 HG3 ARG 22 HG1 ARG 22 2.369 -14.002 2.733 308 HD2 ARG 22 HD2 ARG 22 3.581 -12.516 4.015 309 HD3 ARG 22 HD1 ARG 22 2.419 -11.209 3.784 310 HE ARG 22 HE ARG 22 1.554 -11.880 5.861 311 HH11 ARG 22 HH21 ARG 22 3.533 -14.393 4.838 312 HH12 ARG 22 HH22 ARG 22 2.660 -15.646 5.654 313 HH21 ARG 22 HH11 ARG 22 0.040 -13.578 6.588 314 HH22 ARG 22 HH12 ARG 22 0.684 -15.185 6.647 315 H GLY 23 H GLY 23 -0.347 -12.155 -1.458 316 HA2 GLY 23 HA2 GLY 23 -2.874 -12.191 -1.313 317 HA3 GLY 23 HA1 GLY 23 -2.680 -11.518 0.306 318 H ALA 24 H ALA 24 -1.799 -9.329 0.484 319 HA ALA 24 HA ALA 24 -1.643 -7.083 -0.182 320 HB1 ALA 24 HB1 ALA 24 -1.373 -8.205 -2.986 321 HB2 ALA 24 HB2 ALA 24 -0.028 -8.065 -1.854 322 HB3 ALA 24 HB3 ALA 24 -0.856 -6.616 -2.423 323 H PHE 25 H PHE 25 -4.179 -8.943 -0.582 324 HA PHE 25 HA PHE 25 -5.706 -6.983 -2.224 325 HB2 PHE 25 HB2 PHE 25 -7.295 -8.746 -2.681 326 HB3 PHE 25 HB1 PHE 25 -5.681 -9.374 -3.013 327 HD1 PHE 25 HD2 PHE 25 -4.550 -10.866 -1.350 328 HD2 PHE 25 HD1 PHE 25 -8.642 -9.631 -0.902 329 HE1 PHE 25 HE2 PHE 25 -4.916 -12.679 0.304 330 HE2 PHE 25 HE1 PHE 25 -9.007 -11.443 0.753 331 HZ PHE 25 HZ PHE 25 -7.144 -12.967 1.355 332 H TYR 26 H TYR 26 -6.851 -5.590 -0.972 333 HA TYR 26 HA TYR 26 -8.011 -6.651 1.576 334 HB2 TYR 26 HB2 TYR 26 -7.918 -4.103 2.208 335 HB3 TYR 26 HB1 TYR 26 -6.457 -5.081 2.342 336 HD1 TYR 26 HD2 TYR 26 -4.864 -5.142 0.313 337 HD2 TYR 26 HD1 TYR 26 -7.960 -2.203 0.812 338 HE1 TYR 26 HE2 TYR 26 -3.718 -3.659 -1.312 339 HE2 TYR 26 HE1 TYR 26 -6.814 -0.720 -0.813 340 HH TYR 26 HH TYR 26 -4.027 -0.636 -1.577 341 H THR 27 H THR 27 -8.638 -5.331 -1.480 342 HA THR 27 HA THR 27 -11.126 -3.966 -0.759 343 HB THR 27 HB THR 27 -9.913 -3.174 -2.709 344 HG1 THR 27 HG1 THR 27 -12.080 -4.597 -3.794 345 HG21 THR 27 HG21 THR 27 -8.671 -4.829 -3.676 346 HG22 THR 27 HG22 THR 27 -10.092 -4.992 -4.709 347 HG23 THR 27 HG23 THR 27 -9.874 -6.072 -3.331 348 H LYS 28 H LYS 28 -13.225 -4.721 -1.792 349 HA LYS 28 HA LYS 28 -13.503 -7.500 -2.544 350 HB2 LYS 28 HB2 LYS 28 -14.979 -8.009 -0.475 351 HB3 LYS 28 HB1 LYS 28 -13.227 -8.079 -0.273 352 HG2 LYS 28 HG2 LYS 28 -13.175 -5.891 0.725 353 HG3 LYS 28 HG1 LYS 28 -14.864 -5.600 0.310 354 HD2 LYS 28 HD2 LYS 28 -14.982 -6.214 2.576 355 HD3 LYS 28 HD1 LYS 28 -15.341 -7.725 1.738 356 HE2 LYS 28 HE2 LYS 28 -13.649 -7.951 3.599 357 HE3 LYS 28 HE1 LYS 28 -13.077 -8.507 2.026 358 HZ1 LYS 28 HZ1 LYS 28 -11.705 -6.834 3.537 359 HZ2 LYS 28 HZ2 LYS 28 -12.627 -5.703 2.669 360 HZ3 LYS 28 HZ3 LYS 28 -11.631 -6.803 1.843 361 HA PRO 29 HA PRO 29 -17.035 -5.135 -4.001 362 HB2 PRO 29 HB2 PRO 29 -17.677 -6.914 -5.996 363 HB3 PRO 29 HB1 PRO 29 -16.415 -5.681 -6.151 364 HG2 PRO 29 HG2 PRO 29 -16.125 -8.622 -5.752 365 HG3 PRO 29 HG1 PRO 29 -15.010 -7.478 -6.518 366 HD2 PRO 29 HD2 PRO 29 -14.763 -8.527 -3.902 367 HD3 PRO 29 HD1 PRO 29 -13.867 -7.143 -4.560 368 H THR 30 H THR 30 -18.461 -5.490 -2.224 369 HA THR 30 HA THR 30 -20.630 -7.295 -2.628 370 HB THR 30 HB THR 30 -19.161 -9.096 -2.024 371 HG1 THR 30 HG1 THR 30 -20.288 -9.858 -0.344 372 HG21 THR 30 HG21 THR 30 -18.334 -8.387 0.616 373 HG22 THR 30 HG22 THR 30 -17.890 -7.069 -0.469 374 HG23 THR 30 HG23 THR 30 -17.324 -8.708 -0.794 Start of MODEL 7 1 H1 GLY 1 HT1 GLY 1 -10.579 5.987 3.349 2 H2 GLY 1 HT2 GLY 1 -9.462 6.075 4.624 3 H3 GLY 1 HT3 GLY 1 -10.915 5.218 4.824 4 HA2 GLY 1 HA1 GLY 1 -9.769 3.419 4.153 5 HA3 GLY 1 HA2 GLY 1 -9.727 4.114 2.506 6 H ILE 2 H ILE 2 -8.149 2.103 3.191 7 HA ILE 2 HA ILE 2 -6.265 2.299 5.342 8 HB ILE 2 HB ILE 2 -6.620 0.149 4.339 9 HG12 ILE 2 HG12 ILE 2 -4.339 -0.513 3.713 10 HG13 ILE 2 HG11 ILE 2 -3.912 1.175 3.427 11 HG21 ILE 2 HG21 ILE 2 -7.117 0.009 2.150 12 HG22 ILE 2 HG22 ILE 2 -5.444 0.407 1.758 13 HG23 ILE 2 HG23 ILE 2 -6.642 1.691 1.919 14 HD11 ILE 2 HD11 ILE 2 -5.043 1.068 6.020 15 HD12 ILE 2 HD12 ILE 2 -3.357 1.359 5.600 16 HD13 ILE 2 HD13 ILE 2 -3.917 -0.283 5.914 17 H VAL 3 H VAL 3 -6.375 3.708 2.156 18 HA VAL 3 HA VAL 3 -3.545 4.602 2.403 19 HB VAL 3 HB VAL 3 -3.669 5.167 0.067 20 HG11 VAL 3 HG11 VAL 3 -5.085 2.566 0.698 21 HG12 VAL 3 HG12 VAL 3 -3.362 2.805 0.407 22 HG13 VAL 3 HG13 VAL 3 -4.514 2.993 -0.915 23 HG21 VAL 3 HG21 VAL 3 -6.645 4.716 0.419 24 HG22 VAL 3 HG22 VAL 3 -5.866 4.871 -1.156 25 HG23 VAL 3 HG23 VAL 3 -5.838 6.220 -0.022 26 H GLU 4 H GLU 4 -6.289 5.623 3.645 27 HA GLU 4 HA GLU 4 -7.013 8.138 2.821 28 HB2 GLU 4 HB2 GLU 4 -7.427 8.712 5.171 29 HB3 GLU 4 HB1 GLU 4 -7.878 7.033 4.871 30 HG2 GLU 4 HG2 GLU 4 -5.244 6.756 5.547 31 HG3 GLU 4 HG1 GLU 4 -5.713 8.126 6.554 32 H GLN 5 H GLN 5 -3.915 7.246 4.225 33 HA GLN 5 HA GLN 5 -3.104 10.114 4.124 34 HB2 GLN 5 HB2 GLN 5 -1.007 8.952 5.351 35 HB3 GLN 5 HB1 GLN 5 -2.432 9.500 6.231 36 HG2 GLN 5 HG2 GLN 5 -3.408 7.224 6.030 37 HG3 GLN 5 HG1 GLN 5 -1.942 6.685 5.212 38 HE21 GLN 5 HE21 GLN 5 -1.657 5.158 7.085 39 HE22 GLN 5 HE22 GLN 5 -0.990 5.743 8.533 40 H CYS 6 H CYS 6 -1.727 6.888 3.371 41 HA CYS 6 HA CYS 6 0.512 7.736 1.924 42 HB2 CYS 6 HB2 CYS 6 -1.214 5.397 1.102 43 HB3 CYS 6 HB1 CYS 6 0.529 5.570 0.900 44 H CYS 7 H CYS 7 -2.854 7.577 0.882 45 HA CYS 7 HA CYS 7 -2.261 8.068 -1.910 46 HB2 CYS 7 HB2 CYS 7 -4.644 7.748 -0.230 47 HB3 CYS 7 HB1 CYS 7 -4.855 8.893 -1.548 48 H THR 8 H THR 8 -2.913 10.150 0.876 49 HA THR 8 HA THR 8 -2.884 12.506 -0.955 50 HB THR 8 HB THR 8 -4.698 12.854 0.440 51 HG1 THR 8 HG1 THR 8 -3.853 14.173 2.266 52 HG21 THR 8 HG21 THR 8 -3.089 11.555 2.654 53 HG22 THR 8 HG22 THR 8 -4.422 10.823 1.761 54 HG23 THR 8 HG23 THR 8 -4.726 12.188 2.835 55 H SER 9 H SER 9 -0.911 10.793 1.268 56 HA SER 9 HA SER 9 1.063 13.023 1.136 57 HB2 SER 9 HB2 SER 9 1.644 11.851 3.543 58 HB3 SER 9 HB1 SER 9 0.716 13.332 3.350 59 HG SER 9 HG SER 9 -0.551 11.976 4.530 60 H ILE 10 H ILE 10 3.134 11.773 2.470 61 HA ILE 10 HA ILE 10 3.849 9.668 0.519 62 HB ILE 10 HB ILE 10 5.719 10.642 2.649 63 HG12 ILE 10 HG12 ILE 10 4.573 12.687 1.827 64 HG13 ILE 10 HG11 ILE 10 6.250 12.633 1.291 65 HG21 ILE 10 HG21 ILE 10 6.846 10.676 0.069 66 HG22 ILE 10 HG22 ILE 10 5.818 9.245 0.115 67 HG23 ILE 10 HG23 ILE 10 7.093 9.455 1.316 68 HD11 ILE 10 HD11 ILE 10 4.950 13.256 -0.626 69 HD12 ILE 10 HD12 ILE 10 3.778 11.973 -0.323 70 HD13 ILE 10 HD13 ILE 10 5.407 11.568 -0.861 71 H CYS 11 H CYS 11 4.466 7.554 1.183 72 HA CYS 11 HA CYS 11 3.986 6.921 4.062 73 HB2 CYS 11 HB2 CYS 11 2.502 5.988 1.716 74 HB3 CYS 11 HB1 CYS 11 3.116 4.667 2.710 75 H SER 12 H SER 12 4.722 4.539 4.455 76 HA SER 12 HA SER 12 7.391 4.213 3.159 77 HB2 SER 12 HB2 SER 12 7.408 2.554 5.321 78 HB3 SER 12 HB1 SER 12 7.989 4.216 5.348 79 HG SER 12 HG SER 12 6.416 4.626 6.667 80 H LEU 13 H LEU 13 7.494 2.553 1.704 81 HA LEU 13 HA LEU 13 5.399 0.789 1.154 82 HB2 LEU 13 HB2 LEU 13 6.947 -0.560 -0.131 83 HB3 LEU 13 HB1 LEU 13 7.324 1.136 -0.370 84 HG LEU 13 HG LEU 13 9.392 -0.062 -0.102 85 HD11 LEU 13 HD11 LEU 13 9.183 2.157 1.037 86 HD12 LEU 13 HD12 LEU 13 10.396 1.099 1.755 87 HD13 LEU 13 HD13 LEU 13 8.832 1.302 2.537 88 HD21 LEU 13 HD21 LEU 13 9.733 -1.787 1.332 89 HD22 LEU 13 HD22 LEU 13 7.974 -1.805 1.468 90 HD23 LEU 13 HD23 LEU 13 8.943 -0.954 2.671 91 H TYR 14 H TYR 14 7.637 0.674 3.769 92 HA TYR 14 HA TYR 14 7.244 -2.166 4.283 93 HB2 TYR 14 HB2 TYR 14 8.328 -1.758 6.452 94 HB3 TYR 14 HB1 TYR 14 9.262 -1.041 5.145 95 HD1 TYR 14 HD1 TYR 14 6.440 -0.089 7.459 96 HD2 TYR 14 HD2 TYR 14 10.056 1.111 5.469 97 HE1 TYR 14 HE1 TYR 14 6.339 2.110 8.597 98 HE2 TYR 14 HE2 TYR 14 9.954 3.311 6.609 99 HH TYR 14 HH TYR 14 7.258 4.118 8.804 100 H GLN 15 H GLN 15 5.684 0.813 5.163 101 HA GLN 15 HA GLN 15 3.976 -0.388 7.175 102 HB2 GLN 15 HB2 GLN 15 3.210 1.752 7.500 103 HB3 GLN 15 HB1 GLN 15 4.690 2.154 6.646 104 HG2 GLN 15 HG2 GLN 15 3.494 2.383 4.551 105 HG3 GLN 15 HG1 GLN 15 2.007 1.779 5.282 106 HE21 GLN 15 HE21 GLN 15 4.420 4.282 6.282 107 HE22 GLN 15 HE22 GLN 15 3.261 5.492 6.554 108 H LEU 16 H LEU 16 4.030 -0.163 3.742 109 HA LEU 16 HA LEU 16 1.186 -0.575 3.311 110 HB2 LEU 16 HB2 LEU 16 3.656 -0.706 1.595 111 HB3 LEU 16 HB1 LEU 16 2.120 -1.314 0.979 112 HG LEU 16 HG LEU 16 2.684 1.148 0.489 113 HD11 LEU 16 HD11 LEU 16 0.173 -0.029 1.541 114 HD12 LEU 16 HD12 LEU 16 0.486 0.757 -0.007 115 HD13 LEU 16 HD13 LEU 16 0.214 1.731 1.438 116 HD21 LEU 16 HD21 LEU 16 2.042 2.701 2.346 117 HD22 LEU 16 HD22 LEU 16 3.503 1.778 2.695 118 HD23 LEU 16 HD23 LEU 16 1.970 1.313 3.433 119 H GLU 17 H GLU 17 3.990 -2.624 3.794 120 HA GLU 17 HA GLU 17 2.882 -5.084 2.847 121 HB2 GLU 17 HB2 GLU 17 4.517 -5.155 5.345 122 HB3 GLU 17 HB1 GLU 17 4.665 -6.127 3.882 123 HG2 GLU 17 HG2 GLU 17 5.247 -3.647 2.917 124 HG3 GLU 17 HG1 GLU 17 5.895 -3.531 4.552 125 H ASN 18 H ASN 18 2.174 -3.072 5.518 126 HA ASN 18 HA ASN 18 1.013 -4.977 7.317 127 HB2 ASN 18 HB2 ASN 18 1.446 -2.247 7.337 128 HB3 ASN 18 HB1 ASN 18 -0.312 -2.359 7.239 129 HD21 ASN 18 HD21 ASN 18 1.642 -1.707 9.574 130 HD22 ASN 18 HD22 ASN 18 1.109 -2.722 10.827 131 H TYR 19 H TYR 19 -0.037 -3.751 4.285 132 HA TYR 19 HA TYR 19 -2.862 -4.472 4.813 133 HB2 TYR 19 HB2 TYR 19 -1.773 -3.526 2.167 134 HB3 TYR 19 HB1 TYR 19 -3.404 -3.353 2.810 135 HD1 TYR 19 HD2 TYR 19 -2.211 -2.623 5.685 136 HD2 TYR 19 HD1 TYR 19 -1.677 -1.086 1.708 137 HE1 TYR 19 HE2 TYR 19 -1.604 -0.407 6.622 138 HE2 TYR 19 HE1 TYR 19 -1.071 1.129 2.645 139 HH TYR 19 HH TYR 19 -1.715 2.322 5.105 140 H CYS 20 H CYS 20 -0.479 -6.395 4.524 141 HA CYS 20 HA CYS 20 -1.327 -7.927 2.145 142 HB2 CYS 20 HB2 CYS 20 0.892 -8.515 4.113 143 HB3 CYS 20 HB1 CYS 20 0.632 -9.310 2.562 144 H ASN 21 H ASN 21 -0.389 -9.008 5.379 145 HA ASN 21 HA ASN 21 -2.185 -11.258 5.316 146 HB2 ASN 21 HB2 ASN 21 -0.565 -9.929 7.484 147 HB3 ASN 21 HB1 ASN 21 -1.661 -11.261 7.853 148 HD21 ASN 21 HD21 ASN 21 0.653 -12.213 8.423 149 HD22 ASN 21 HD22 ASN 21 1.430 -13.048 7.167 150 H1 PHE 1 HT1 PHE 1 12.450 2.886 -1.548 151 H2 PHE 1 HT2 PHE 1 12.158 1.541 -2.544 152 H3 PHE 1 HT3 PHE 1 11.530 1.585 -0.966 153 HA PHE 1 HA PHE 1 10.243 2.357 -3.262 154 HB2 PHE 1 HB2 PHE 1 9.538 1.680 -0.774 155 HB3 PHE 1 HB1 PHE 1 9.374 3.428 -0.612 156 HD1 PHE 1 HD1 PHE 1 8.637 0.889 -3.287 157 HD2 PHE 1 HD2 PHE 1 7.200 4.196 -0.947 158 HE1 PHE 1 HE1 PHE 1 6.471 0.793 -4.483 159 HE2 PHE 1 HE2 PHE 1 5.035 4.098 -2.143 160 HZ PHE 1 HZ PHE 1 4.666 2.399 -3.914 161 H VAL 2 H VAL 2 8.997 4.558 -3.375 162 HA VAL 2 HA VAL 2 11.048 6.712 -3.179 163 HB VAL 2 HB VAL 2 9.513 7.901 -4.812 164 HG11 VAL 2 HG11 VAL 2 10.114 6.265 -6.713 165 HG12 VAL 2 HG12 VAL 2 10.827 5.258 -5.454 166 HG13 VAL 2 HG13 VAL 2 11.447 6.883 -5.738 167 HG21 VAL 2 HG21 VAL 2 8.292 5.230 -5.384 168 HG22 VAL 2 HG22 VAL 2 7.647 6.845 -5.687 169 HG23 VAL 2 HG23 VAL 2 7.626 6.179 -4.054 170 H ASN 3 H ASN 3 9.648 8.981 -3.086 171 HA ASN 3 HA ASN 3 7.776 8.661 -0.775 172 HB2 ASN 3 HB2 ASN 3 8.705 10.861 0.054 173 HB3 ASN 3 HB1 ASN 3 9.853 9.523 0.107 174 HD21 ASN 3 HD21 ASN 3 11.545 9.463 -1.592 175 HD22 ASN 3 HD22 ASN 3 11.962 10.878 -2.433 176 H GLN 4 H GLN 4 5.980 8.847 -2.249 177 HA GLN 4 HA GLN 4 5.257 11.611 -2.827 178 HB2 GLN 4 HB2 GLN 4 4.748 10.992 -5.277 179 HB3 GLN 4 HB1 GLN 4 6.435 11.299 -4.865 180 HG2 GLN 4 HG2 GLN 4 6.991 9.015 -4.899 181 HG3 GLN 4 HG1 GLN 4 5.312 8.509 -4.709 182 HE21 GLN 4 HE21 GLN 4 7.777 9.035 -7.022 183 HE22 GLN 4 HE22 GLN 4 6.806 8.988 -8.414 184 H HIS 5 H HIS 5 2.989 11.628 -3.818 185 HA HIS 5 HA HIS 5 1.299 9.834 -2.297 186 HB2 HIS 5 HB2 HIS 5 0.365 11.558 -4.592 187 HB3 HIS 5 HB1 HIS 5 -0.525 11.086 -3.145 188 HD2 HIS 5 HD2 HIS 5 2.402 13.558 -4.125 189 HE1 HIS 5 HE1 HIS 5 0.860 14.660 -0.346 190 HE2 HIS 5 HE2 HIS 5 2.476 15.315 -2.207 191 H LEU 6 H LEU 6 0.187 8.015 -3.021 192 HA LEU 6 HA LEU 6 0.221 7.377 -5.894 193 HB2 LEU 6 HB2 LEU 6 1.168 5.118 -5.503 194 HB3 LEU 6 HB1 LEU 6 2.316 6.399 -5.161 195 HG LEU 6 HG LEU 6 2.463 4.693 -3.438 196 HD11 LEU 6 HD11 LEU 6 2.301 7.330 -2.916 197 HD12 LEU 6 HD12 LEU 6 2.595 6.121 -1.666 198 HD13 LEU 6 HD13 LEU 6 0.967 6.752 -1.916 199 HD21 LEU 6 HD21 LEU 6 0.705 3.662 -2.469 200 HD22 LEU 6 HD22 LEU 6 -0.217 4.310 -3.823 201 HD23 LEU 6 HD23 LEU 6 -0.197 5.163 -2.278 202 H CYS 7 H CYS 7 -1.389 5.873 -6.492 203 HA CYS 7 HA CYS 7 -3.072 4.642 -4.413 204 HB2 CYS 7 HB2 CYS 7 -4.252 6.677 -6.325 205 HB3 CYS 7 HB1 CYS 7 -5.129 5.753 -5.108 206 H GLY 8 H GLY 8 -5.040 3.570 -5.600 207 HA2 GLY 8 HA2 GLY 8 -5.765 1.994 -7.163 208 HA3 GLY 8 HA1 GLY 8 -5.003 3.022 -8.372 209 H SER 9 H SER 9 -4.037 1.487 -9.624 210 HA SER 9 HA SER 9 -2.812 -0.906 -8.804 211 HB2 SER 9 HB2 SER 9 -3.332 0.012 -11.196 212 HB3 SER 9 HB1 SER 9 -1.709 0.689 -11.101 213 HG SER 9 HG SER 9 -1.218 -1.260 -11.783 214 H ASP 10 H ASP 10 -1.728 2.322 -8.373 215 HA ASP 10 HA ASP 10 1.102 1.647 -8.231 216 HB2 ASP 10 HB2 ASP 10 -0.530 4.074 -7.520 217 HB3 ASP 10 HB1 ASP 10 1.152 3.955 -7.003 218 H LEU 11 H LEU 11 -1.586 1.708 -6.008 219 HA LEU 11 HA LEU 11 0.019 1.580 -3.604 220 HB2 LEU 11 HB2 LEU 11 -2.810 0.633 -4.156 221 HB3 LEU 11 HB1 LEU 11 -2.065 0.644 -2.558 222 HG LEU 11 HG LEU 11 -2.035 3.158 -4.183 223 HD11 LEU 11 HD11 LEU 11 -4.385 2.126 -2.563 224 HD12 LEU 11 HD12 LEU 11 -4.370 2.425 -4.300 225 HD13 LEU 11 HD13 LEU 11 -4.231 3.774 -3.172 226 HD21 LEU 11 HD21 LEU 11 -2.451 2.712 -1.219 227 HD22 LEU 11 HD22 LEU 11 -1.926 4.189 -2.025 228 HD23 LEU 11 HD23 LEU 11 -0.848 2.797 -1.946 229 H VAL 12 H VAL 12 -1.081 -0.672 -6.009 230 HA VAL 12 HA VAL 12 -0.180 -2.980 -4.423 231 HB VAL 12 HB VAL 12 -0.654 -4.271 -6.543 232 HG11 VAL 12 HG11 VAL 12 -3.101 -4.109 -6.264 233 HG12 VAL 12 HG12 VAL 12 -2.892 -2.599 -5.375 234 HG13 VAL 12 HG13 VAL 12 -2.271 -4.109 -4.708 235 HG21 VAL 12 HG21 VAL 12 -2.015 -3.119 -8.258 236 HG22 VAL 12 HG22 VAL 12 -0.394 -2.441 -8.146 237 HG23 VAL 12 HG23 VAL 12 -1.757 -1.589 -7.424 238 H GLU 13 H GLU 13 0.838 -1.275 -7.427 239 HA GLU 13 HA GLU 13 3.047 -2.793 -8.111 240 HB2 GLU 13 HB2 GLU 13 3.810 -0.951 -9.288 241 HB3 GLU 13 HB1 GLU 13 2.168 -0.405 -8.961 242 HG2 GLU 13 HG2 GLU 13 3.042 0.729 -6.887 243 HG3 GLU 13 HG1 GLU 13 4.672 0.318 -7.415 244 H ALA 14 H ALA 14 2.607 -0.617 -5.455 245 HA ALA 14 HA ALA 14 5.293 -0.810 -4.378 246 HB1 ALA 14 HB1 ALA 14 4.472 0.541 -2.638 247 HB2 ALA 14 HB2 ALA 14 2.847 -0.133 -2.767 248 HB3 ALA 14 HB3 ALA 14 3.432 0.997 -3.988 249 H LEU 15 H LEU 15 2.169 -1.981 -3.167 250 HA LEU 15 HA LEU 15 3.226 -3.799 -1.260 251 HB2 LEU 15 HB2 LEU 15 0.615 -3.296 -2.532 252 HB3 LEU 15 HB1 LEU 15 0.851 -4.964 -2.008 253 HG LEU 15 HG LEU 15 1.784 -3.019 -0.026 254 HD11 LEU 15 HD11 LEU 15 -1.202 -3.162 -0.294 255 HD12 LEU 15 HD12 LEU 15 -0.318 -1.975 -1.253 256 HD13 LEU 15 HD13 LEU 15 -0.210 -1.943 0.507 257 HD21 LEU 15 HD21 LEU 15 1.468 -5.442 0.375 258 HD22 LEU 15 HD22 LEU 15 -0.256 -5.267 0.046 259 HD23 LEU 15 HD23 LEU 15 0.457 -4.480 1.453 260 H TYR 16 H TYR 16 1.793 -4.547 -4.384 261 HA TYR 16 HA TYR 16 2.148 -7.136 -4.857 262 HB2 TYR 16 HB2 TYR 16 1.506 -6.048 -6.779 263 HB3 TYR 16 HB1 TYR 16 2.695 -4.770 -6.584 264 HD1 TYR 16 HD1 TYR 16 2.607 -8.472 -7.143 265 HD2 TYR 16 HD2 TYR 16 4.479 -4.717 -8.059 266 HE1 TYR 16 HE1 TYR 16 4.111 -9.621 -8.752 267 HE2 TYR 16 HE2 TYR 16 5.985 -5.862 -9.671 268 HH TYR 16 HH TYR 16 5.450 -8.764 -10.948 269 H LEU 17 H LEU 17 5.008 -4.908 -4.937 270 HA LEU 17 HA LEU 17 6.671 -7.368 -5.138 271 HB2 LEU 17 HB2 LEU 17 8.501 -5.359 -5.218 272 HB3 LEU 17 HB1 LEU 17 7.719 -6.051 -6.632 273 HG LEU 17 HG LEU 17 5.905 -4.294 -6.349 274 HD11 LEU 17 HD11 LEU 17 6.828 -3.897 -3.911 275 HD12 LEU 17 HD12 LEU 17 6.190 -2.540 -4.827 276 HD13 LEU 17 HD13 LEU 17 7.929 -2.790 -4.721 277 HD21 LEU 17 HD21 LEU 17 7.060 -3.225 -7.961 278 HD22 LEU 17 HD22 LEU 17 8.488 -4.154 -7.505 279 HD23 LEU 17 HD23 LEU 17 8.187 -2.581 -6.768 280 H VAL 18 H VAL 18 5.823 -4.959 -2.757 281 HA VAL 18 HA VAL 18 8.181 -5.434 -1.116 282 HB VAL 18 HB VAL 18 7.099 -4.166 0.593 283 HG11 VAL 18 HG11 VAL 18 7.041 -3.276 -2.171 284 HG12 VAL 18 HG12 VAL 18 7.500 -2.382 -0.722 285 HG13 VAL 18 HG13 VAL 18 5.807 -2.464 -1.210 286 HG21 VAL 18 HG21 VAL 18 4.968 -5.100 0.840 287 HG22 VAL 18 HG22 VAL 18 4.599 -4.935 -0.873 288 HG23 VAL 18 HG23 VAL 18 4.617 -3.511 0.160 289 H CYS 19 H CYS 19 4.918 -6.703 -1.238 290 HA CYS 19 HA CYS 19 5.556 -8.637 0.925 291 HB2 CYS 19 HB2 CYS 19 3.086 -7.484 -0.217 292 HB3 CYS 19 HB1 CYS 19 2.987 -9.201 0.173 293 H GLY 20 H GLY 20 3.593 -9.031 -2.027 294 HA2 GLY 20 HA2 GLY 20 4.009 -10.493 -3.868 295 HA3 GLY 20 HA1 GLY 20 5.447 -11.089 -3.039 296 H GLU 21 H GLU 21 2.513 -12.075 -4.062 297 HA GLU 21 HA GLU 21 0.977 -13.730 -3.370 298 HB2 GLU 21 HB2 GLU 21 3.374 -14.798 -3.838 299 HB3 GLU 21 HB1 GLU 21 3.267 -15.179 -2.120 300 HG2 GLU 21 HG2 GLU 21 1.459 -16.598 -2.403 301 HG3 GLU 21 HG1 GLU 21 0.888 -15.751 -3.842 302 H ARG 22 H ARG 22 1.590 -11.590 -1.352 303 HA ARG 22 HA ARG 22 1.150 -13.157 1.153 304 HB2 ARG 22 HB2 ARG 22 2.995 -11.248 0.780 305 HB3 ARG 22 HB1 ARG 22 1.638 -10.214 1.231 306 HG2 ARG 22 HG2 ARG 22 2.007 -10.732 3.387 307 HG3 ARG 22 HG1 ARG 22 1.606 -12.410 3.022 308 HD2 ARG 22 HD2 ARG 22 3.886 -12.956 2.562 309 HD3 ARG 22 HD1 ARG 22 4.358 -11.257 2.532 310 HE ARG 22 HE ARG 22 3.243 -11.983 5.100 311 HH11 ARG 22 HH21 ARG 22 5.778 -13.364 3.404 312 HH12 ARG 22 HH22 ARG 22 7.006 -12.969 4.559 313 HH21 ARG 22 HH11 ARG 22 4.931 -10.949 6.468 314 HH22 ARG 22 HH12 ARG 22 6.526 -11.603 6.295 315 H GLY 23 H GLY 23 -0.896 -12.535 -0.937 316 HA2 GLY 23 HA2 GLY 23 -3.203 -12.053 -0.825 317 HA3 GLY 23 HA1 GLY 23 -2.986 -11.629 0.874 318 H ALA 24 H ALA 24 -4.412 -10.189 -1.359 319 HA ALA 24 HA ALA 24 -3.390 -7.523 -0.704 320 HB1 ALA 24 HB1 ALA 24 -3.548 -8.204 -3.637 321 HB2 ALA 24 HB2 ALA 24 -2.052 -8.447 -2.734 322 HB3 ALA 24 HB3 ALA 24 -2.750 -6.833 -2.866 323 H PHE 25 H PHE 25 -5.890 -9.219 -0.563 324 HA PHE 25 HA PHE 25 -7.704 -7.441 -2.121 325 HB2 PHE 25 HB2 PHE 25 -9.369 -9.395 -1.440 326 HB3 PHE 25 HB1 PHE 25 -8.300 -9.565 -2.831 327 HD1 PHE 25 HD1 PHE 25 -8.752 -10.438 0.749 328 HD2 PHE 25 HD2 PHE 25 -6.476 -11.126 -2.831 329 HE1 PHE 25 HE1 PHE 25 -7.673 -12.402 1.813 330 HE2 PHE 25 HE2 PHE 25 -5.396 -13.090 -1.767 331 HZ PHE 25 HZ PHE 25 -5.995 -13.728 0.555 332 H TYR 26 H TYR 26 -7.209 -5.930 -0.209 333 HA TYR 26 HA TYR 26 -8.555 -6.666 2.309 334 HB2 TYR 26 HB2 TYR 26 -7.803 -4.413 3.059 335 HB3 TYR 26 HB1 TYR 26 -6.470 -5.387 2.438 336 HD1 TYR 26 HD1 TYR 26 -8.758 -2.572 1.698 337 HD2 TYR 26 HD2 TYR 26 -5.337 -4.816 0.380 338 HE1 TYR 26 HE1 TYR 26 -8.260 -0.823 0.010 339 HE2 TYR 26 HE2 TYR 26 -4.840 -3.068 -1.307 340 HH TYR 26 HH TYR 26 -5.288 -0.762 -1.752 341 H THR 27 H THR 27 -9.456 -5.338 -0.660 342 HA THR 27 HA THR 27 -11.492 -3.508 0.396 343 HB THR 27 HB THR 27 -10.398 -3.069 -1.784 344 HG1 THR 27 HG1 THR 27 -12.702 -2.573 -1.270 345 HG21 THR 27 HG21 THR 27 -10.474 -4.534 -3.574 346 HG22 THR 27 HG22 THR 27 -11.960 -5.302 -3.016 347 HG23 THR 27 HG23 THR 27 -10.424 -5.680 -2.235 348 H LYS 28 H LYS 28 -12.853 -4.829 1.671 349 HA LYS 28 HA LYS 28 -13.954 -7.319 0.688 350 HB2 LYS 28 HB2 LYS 28 -13.927 -5.906 3.140 351 HB3 LYS 28 HB1 LYS 28 -15.623 -6.097 2.695 352 HG2 LYS 28 HG2 LYS 28 -15.564 -8.283 3.220 353 HG3 LYS 28 HG1 LYS 28 -14.194 -8.539 2.139 354 HD2 LYS 28 HD2 LYS 28 -13.923 -7.390 4.928 355 HD3 LYS 28 HD1 LYS 28 -13.736 -9.106 4.562 356 HE2 LYS 28 HE2 LYS 28 -11.596 -8.719 3.986 357 HE3 LYS 28 HE1 LYS 28 -12.162 -7.690 2.671 358 HZ1 LYS 28 HZ1 LYS 28 -11.475 -6.902 5.440 359 HZ2 LYS 28 HZ2 LYS 28 -12.373 -5.894 4.407 360 HZ3 LYS 28 HZ3 LYS 28 -10.788 -6.346 3.992 361 HA PRO 29 HA PRO 29 -17.826 -4.662 -0.182 362 HB2 PRO 29 HB2 PRO 29 -17.595 -1.940 0.123 363 HB3 PRO 29 HB1 PRO 29 -18.104 -3.032 1.423 364 HG2 PRO 29 HG2 PRO 29 -15.490 -1.647 1.050 365 HG3 PRO 29 HG1 PRO 29 -16.260 -2.207 2.544 366 HD2 PRO 29 HD2 PRO 29 -14.153 -3.507 1.170 367 HD3 PRO 29 HD1 PRO 29 -15.140 -4.205 2.472 368 H THR 30 H THR 30 -17.632 -5.018 -2.397 369 HA THR 30 HA THR 30 -16.900 -2.799 -4.103 370 HB THR 30 HB THR 30 -14.641 -3.320 -3.929 371 HG1 THR 30 HG1 THR 30 -14.191 -4.795 -5.742 372 HG21 THR 30 HG21 THR 30 -14.881 -5.186 -2.385 373 HG22 THR 30 HG22 THR 30 -13.809 -5.664 -3.702 374 HG23 THR 30 HG23 THR 30 -15.482 -6.219 -3.682 Start of MODEL 8 1 H1 GLY 1 HT1 GLY 1 -10.103 6.712 2.713 2 H2 GLY 1 HT2 GLY 1 -10.028 5.610 1.422 3 H3 GLY 1 HT3 GLY 1 -8.598 6.250 2.078 4 HA2 GLY 1 HA1 GLY 1 -9.674 5.070 4.201 5 HA3 GLY 1 HA2 GLY 1 -10.263 3.964 2.922 6 H ILE 2 H ILE 2 -8.254 2.599 2.930 7 HA ILE 2 HA ILE 2 -6.412 2.805 5.128 8 HB ILE 2 HB ILE 2 -6.886 0.621 4.251 9 HG12 ILE 2 HG12 ILE 2 -4.625 -0.205 3.706 10 HG13 ILE 2 HG11 ILE 2 -4.097 1.448 3.383 11 HG21 ILE 2 HG21 ILE 2 -5.813 0.330 1.771 12 HG22 ILE 2 HG22 ILE 2 -6.389 1.993 1.672 13 HG23 ILE 2 HG23 ILE 2 -7.515 0.692 2.057 14 HD11 ILE 2 HD11 ILE 2 -3.584 1.638 5.568 15 HD12 ILE 2 HD12 ILE 2 -4.315 0.072 5.921 16 HD13 ILE 2 HD13 ILE 2 -5.308 1.528 5.925 17 H VAL 3 H VAL 3 -6.413 4.109 1.915 18 HA VAL 3 HA VAL 3 -3.517 4.774 2.138 19 HB VAL 3 HB VAL 3 -3.592 5.264 -0.223 20 HG11 VAL 3 HG11 VAL 3 -4.893 2.743 0.726 21 HG12 VAL 3 HG12 VAL 3 -3.329 2.969 -0.059 22 HG13 VAL 3 HG13 VAL 3 -4.813 3.049 -1.008 23 HG21 VAL 3 HG21 VAL 3 -6.590 4.904 0.073 24 HG22 VAL 3 HG22 VAL 3 -5.756 5.068 -1.471 25 HG23 VAL 3 HG23 VAL 3 -5.748 6.403 -0.319 26 H GLU 4 H GLU 4 -6.105 6.064 3.377 27 HA GLU 4 HA GLU 4 -6.659 8.586 2.417 28 HB2 GLU 4 HB2 GLU 4 -6.957 9.319 4.748 29 HB3 GLU 4 HB1 GLU 4 -7.585 7.685 4.529 30 HG2 GLU 4 HG2 GLU 4 -4.808 7.488 5.184 31 HG3 GLU 4 HG1 GLU 4 -5.575 8.561 6.355 32 H GLN 5 H GLN 5 -3.606 7.479 3.723 33 HA GLN 5 HA GLN 5 -2.551 10.261 3.550 34 HB2 GLN 5 HB2 GLN 5 -0.488 8.835 4.613 35 HB3 GLN 5 HB1 GLN 5 -1.725 9.640 5.577 36 HG2 GLN 5 HG2 GLN 5 -3.003 7.600 5.770 37 HG3 GLN 5 HG1 GLN 5 -1.956 6.775 4.615 38 HE21 GLN 5 HE21 GLN 5 0.397 6.523 5.316 39 HE22 GLN 5 HE22 GLN 5 0.726 6.350 6.972 40 H CYS 6 H CYS 6 -1.199 6.990 2.925 41 HA CYS 6 HA CYS 6 0.861 7.642 1.226 42 HB2 CYS 6 HB2 CYS 6 -1.104 5.391 0.725 43 HB3 CYS 6 HB1 CYS 6 0.550 5.480 0.122 44 H CYS 7 H CYS 7 -2.572 7.449 0.301 45 HA CYS 7 HA CYS 7 -2.115 8.006 -2.477 46 HB2 CYS 7 HB2 CYS 7 -4.419 7.772 -0.690 47 HB3 CYS 7 HB1 CYS 7 -4.642 8.965 -1.965 48 H THR 8 H THR 8 -3.000 10.132 0.267 49 HA THR 8 HA THR 8 -2.868 12.503 -1.454 50 HB THR 8 HB THR 8 -4.435 12.277 0.516 51 HG1 THR 8 HG1 THR 8 -2.666 14.375 0.061 52 HG21 THR 8 HG21 THR 8 -1.965 12.858 2.158 53 HG22 THR 8 HG22 THR 8 -2.626 11.235 1.974 54 HG23 THR 8 HG23 THR 8 -3.590 12.496 2.740 55 H SER 9 H SER 9 -0.913 11.174 1.233 56 HA SER 9 HA SER 9 1.298 12.960 0.300 57 HB2 SER 9 HB2 SER 9 1.959 12.356 2.888 58 HB3 SER 9 HB1 SER 9 1.147 13.831 2.384 59 HG SER 9 HG SER 9 0.225 12.129 4.053 60 H ILE 10 H ILE 10 3.343 11.816 1.825 61 HA ILE 10 HA ILE 10 3.598 9.182 0.465 62 HB ILE 10 HB ILE 10 5.889 10.522 1.851 63 HG12 ILE 10 HG12 ILE 10 4.589 12.281 0.525 64 HG13 ILE 10 HG11 ILE 10 6.266 12.048 0.037 65 HG21 ILE 10 HG21 ILE 10 6.855 9.682 -0.477 66 HG22 ILE 10 HG22 ILE 10 5.406 8.679 -0.459 67 HG23 ILE 10 HG23 ILE 10 6.583 8.551 0.848 68 HD11 ILE 10 HD11 ILE 10 5.689 11.198 -1.990 69 HD12 ILE 10 HD12 ILE 10 4.141 11.986 -1.687 70 HD13 ILE 10 HD13 ILE 10 4.343 10.272 -1.324 71 H CYS 11 H CYS 11 4.277 7.336 1.659 72 HA CYS 11 HA CYS 11 4.317 7.633 4.624 73 HB2 CYS 11 HB2 CYS 11 2.947 5.509 4.749 74 HB3 CYS 11 HB1 CYS 11 2.066 6.911 4.145 75 H SER 12 H SER 12 4.651 4.938 5.257 76 HA SER 12 HA SER 12 7.332 4.448 4.069 77 HB2 SER 12 HB2 SER 12 7.119 2.626 6.066 78 HB3 SER 12 HB1 SER 12 7.709 4.267 6.311 79 HG SER 12 HG SER 12 6.071 3.914 7.771 80 H LEU 13 H LEU 13 7.583 2.826 2.606 81 HA LEU 13 HA LEU 13 5.410 1.268 1.650 82 HB2 LEU 13 HB2 LEU 13 7.149 -0.078 0.486 83 HB3 LEU 13 HB1 LEU 13 7.407 1.656 0.290 84 HG LEU 13 HG LEU 13 8.705 0.476 2.666 85 HD11 LEU 13 HD11 LEU 13 8.877 -1.009 0.329 86 HD12 LEU 13 HD12 LEU 13 10.028 -1.054 1.665 87 HD13 LEU 13 HD13 LEU 13 10.323 0.000 0.282 88 HD21 LEU 13 HD21 LEU 13 10.255 1.926 0.622 89 HD22 LEU 13 HD22 LEU 13 10.108 2.238 2.351 90 HD23 LEU 13 HD23 LEU 13 8.864 2.817 1.243 91 H TYR 14 H TYR 14 7.734 0.652 4.206 92 HA TYR 14 HA TYR 14 7.103 -2.152 4.458 93 HB2 TYR 14 HB2 TYR 14 8.207 -1.991 6.674 94 HB3 TYR 14 HB1 TYR 14 9.187 -1.268 5.400 95 HD1 TYR 14 HD1 TYR 14 6.616 -0.393 7.979 96 HD2 TYR 14 HD2 TYR 14 9.946 0.936 5.613 97 HE1 TYR 14 HE1 TYR 14 6.640 1.754 9.220 98 HE2 TYR 14 HE2 TYR 14 9.972 3.083 6.851 99 HH TYR 14 HH TYR 14 8.902 4.359 8.342 100 H GLN 15 H GLN 15 5.671 0.798 5.557 101 HA GLN 15 HA GLN 15 3.984 -0.425 7.565 102 HB2 GLN 15 HB2 GLN 15 3.233 1.721 7.944 103 HB3 GLN 15 HB1 GLN 15 4.736 2.105 7.123 104 HG2 GLN 15 HG2 GLN 15 3.353 3.382 5.821 105 HG3 GLN 15 HG1 GLN 15 3.114 1.851 4.983 106 HE21 GLN 15 HE21 GLN 15 1.235 4.263 5.643 107 HE22 GLN 15 HE22 GLN 15 -0.149 3.511 6.277 108 H LEU 16 H LEU 16 3.891 0.081 4.131 109 HA LEU 16 HA LEU 16 1.069 -0.319 3.728 110 HB2 LEU 16 HB2 LEU 16 3.532 -0.455 2.021 111 HB3 LEU 16 HB1 LEU 16 2.040 -1.157 1.399 112 HG LEU 16 HG LEU 16 2.484 1.303 0.833 113 HD11 LEU 16 HD11 LEU 16 -0.012 1.819 1.727 114 HD12 LEU 16 HD12 LEU 16 0.017 0.068 1.936 115 HD13 LEU 16 HD13 LEU 16 0.308 0.771 0.345 116 HD21 LEU 16 HD21 LEU 16 1.792 2.899 2.612 117 HD22 LEU 16 HD22 LEU 16 3.259 2.022 3.037 118 HD23 LEU 16 HD23 LEU 16 1.716 1.558 3.754 119 H GLU 17 H GLU 17 3.834 -2.465 4.085 120 HA GLU 17 HA GLU 17 2.744 -4.884 3.157 121 HB2 GLU 17 HB2 GLU 17 4.951 -5.122 3.845 122 HB3 GLU 17 HB1 GLU 17 4.717 -4.138 5.285 123 HG2 GLU 17 HG2 GLU 17 3.998 -5.908 6.547 124 HG3 GLU 17 HG1 GLU 17 3.198 -6.688 5.183 125 H ASN 18 H ASN 18 1.864 -2.943 5.879 126 HA ASN 18 HA ASN 18 0.619 -4.862 7.554 127 HB2 ASN 18 HB2 ASN 18 0.255 -1.930 7.073 128 HB3 ASN 18 HB1 ASN 18 -0.950 -2.781 8.040 129 HD21 ASN 18 HD21 ASN 18 0.131 -1.181 9.725 130 HD22 ASN 18 HD22 ASN 18 1.447 -1.809 10.594 131 H TYR 19 H TYR 19 -0.412 -3.459 4.543 132 HA TYR 19 HA TYR 19 -3.136 -4.583 4.848 133 HB2 TYR 19 HB2 TYR 19 -2.218 -3.278 2.316 134 HB3 TYR 19 HB1 TYR 19 -3.788 -3.192 3.115 135 HD1 TYR 19 HD2 TYR 19 -2.803 -2.558 5.918 136 HD2 TYR 19 HD1 TYR 19 -1.737 -0.943 2.079 137 HE1 TYR 19 HE2 TYR 19 -2.133 -0.427 6.999 138 HE2 TYR 19 HE1 TYR 19 -1.069 1.188 3.162 139 HH TYR 19 HH TYR 19 -1.544 1.708 6.644 140 H CYS 20 H CYS 20 -1.438 -6.656 4.856 141 HA CYS 20 HA CYS 20 -1.537 -7.708 2.068 142 HB2 CYS 20 HB2 CYS 20 0.551 -7.876 4.184 143 HB3 CYS 20 HB1 CYS 20 0.293 -9.319 3.202 144 H ASN 21 H ASN 21 -3.757 -7.880 3.809 145 HA ASN 21 HA ASN 21 -3.698 -10.570 5.015 146 HB2 ASN 21 HB2 ASN 21 -5.676 -8.309 4.926 147 HB3 ASN 21 HB1 ASN 21 -6.222 -9.928 5.365 148 HD21 ASN 21 HD21 ASN 21 -6.517 -8.312 7.450 149 HD22 ASN 21 HD22 ASN 21 -5.253 -8.435 8.577 150 H1 PHE 1 HT1 PHE 1 9.764 0.098 -2.149 151 H2 PHE 1 HT2 PHE 1 8.135 -0.311 -2.406 152 H3 PHE 1 HT3 PHE 1 8.535 1.037 -1.453 153 HA PHE 1 HA PHE 1 9.315 0.854 -4.299 154 HB2 PHE 1 HB2 PHE 1 7.291 2.370 -4.655 155 HB3 PHE 1 HB1 PHE 1 6.930 0.670 -4.358 156 HD1 PHE 1 HD2 PHE 1 6.234 -0.074 -2.056 157 HD2 PHE 1 HD1 PHE 1 6.594 4.072 -3.131 158 HE1 PHE 1 HE2 PHE 1 4.875 0.557 -0.078 159 HE2 PHE 1 HE1 PHE 1 5.237 4.703 -1.152 160 HZ PHE 1 HZ PHE 1 4.376 2.945 0.374 161 H VAL 2 H VAL 2 8.833 3.466 -4.902 162 HA VAL 2 HA VAL 2 10.929 4.825 -3.385 163 HB VAL 2 HB VAL 2 10.360 6.733 -4.972 164 HG11 VAL 2 HG11 VAL 2 10.920 5.021 -7.026 165 HG12 VAL 2 HG12 VAL 2 11.379 4.039 -5.635 166 HG13 VAL 2 HG13 VAL 2 12.125 5.617 -5.885 167 HG21 VAL 2 HG21 VAL 2 8.826 4.809 -6.631 168 HG22 VAL 2 HG22 VAL 2 8.629 6.552 -6.458 169 HG23 VAL 2 HG23 VAL 2 7.977 5.465 -5.233 170 H ASN 3 H ASN 3 10.173 7.413 -3.161 171 HA ASN 3 HA ASN 3 7.857 7.269 -1.276 172 HB2 ASN 3 HB2 ASN 3 10.311 9.043 -1.305 173 HB3 ASN 3 HB1 ASN 3 8.922 9.336 -0.255 174 HD21 ASN 3 HD21 ASN 3 11.101 6.588 -1.145 175 HD22 ASN 3 HD22 ASN 3 11.183 5.958 0.430 176 H GLN 4 H GLN 4 6.349 7.685 -3.040 177 HA GLN 4 HA GLN 4 6.172 10.573 -3.671 178 HB2 GLN 4 HB2 GLN 4 5.766 10.141 -6.040 179 HB3 GLN 4 HB1 GLN 4 7.339 9.485 -5.591 180 HG2 GLN 4 HG2 GLN 4 6.455 7.248 -5.461 181 HG3 GLN 4 HG1 GLN 4 4.801 7.834 -5.632 182 HE21 GLN 4 HE21 GLN 4 4.741 6.335 -7.584 183 HE22 GLN 4 HE22 GLN 4 5.371 6.900 -9.054 184 H HIS 5 H HIS 5 3.957 10.585 -5.232 185 HA HIS 5 HA HIS 5 1.898 9.555 -3.384 186 HB2 HIS 5 HB2 HIS 5 1.615 11.244 -5.886 187 HB3 HIS 5 HB1 HIS 5 0.342 10.913 -4.713 188 HD2 HIS 5 HD2 HIS 5 3.700 12.971 -4.924 189 HE1 HIS 5 HE1 HIS 5 1.560 14.181 -1.484 190 HE2 HIS 5 HE2 HIS 5 3.601 14.652 -2.939 191 H LEU 6 H LEU 6 0.428 7.935 -3.935 192 HA LEU 6 HA LEU 6 0.321 6.919 -6.675 193 HB2 LEU 6 HB2 LEU 6 1.030 4.644 -6.087 194 HB3 LEU 6 HB1 LEU 6 2.326 5.793 -5.808 195 HG LEU 6 HG LEU 6 2.270 4.264 -3.946 196 HD11 LEU 6 HD11 LEU 6 2.357 6.884 -3.580 197 HD12 LEU 6 HD12 LEU 6 2.314 5.777 -2.209 198 HD13 LEU 6 HD13 LEU 6 0.838 6.587 -2.732 199 HD21 LEU 6 HD21 LEU 6 -0.441 4.087 -4.441 200 HD22 LEU 6 HD22 LEU 6 -0.375 4.959 -2.908 201 HD23 LEU 6 HD23 LEU 6 0.395 3.381 -3.058 202 H CYS 7 H CYS 7 -1.488 5.531 -7.019 203 HA CYS 7 HA CYS 7 -3.196 4.821 -4.729 204 HB2 CYS 7 HB2 CYS 7 -4.084 6.805 -6.841 205 HB3 CYS 7 HB1 CYS 7 -5.177 6.009 -5.709 206 H GLY 8 H GLY 8 -5.248 3.712 -5.594 207 HA2 GLY 8 HA2 GLY 8 -6.138 1.927 -6.816 208 HA3 GLY 8 HA1 GLY 8 -5.550 2.795 -8.231 209 H SER 9 H SER 9 -4.548 1.294 -9.454 210 HA SER 9 HA SER 9 -3.331 -1.090 -8.597 211 HB2 SER 9 HB2 SER 9 -3.803 -0.810 -10.931 212 HB3 SER 9 HB1 SER 9 -2.810 0.641 -11.023 213 HG SER 9 HG SER 9 -2.069 -1.831 -11.465 214 H ASP 10 H ASP 10 -2.186 2.142 -8.325 215 HA ASP 10 HA ASP 10 0.632 1.411 -8.170 216 HB2 ASP 10 HB2 ASP 10 -0.575 3.922 -7.026 217 HB3 ASP 10 HB1 ASP 10 1.042 3.693 -7.693 218 H LEU 11 H LEU 11 -2.045 1.705 -5.953 219 HA LEU 11 HA LEU 11 -0.482 1.720 -3.535 220 HB2 LEU 11 HB2 LEU 11 -3.257 0.559 -3.921 221 HB3 LEU 11 HB1 LEU 11 -2.538 1.090 -2.400 222 HG LEU 11 HG LEU 11 -2.823 2.988 -4.726 223 HD11 LEU 11 HD11 LEU 11 -4.880 2.201 -2.656 224 HD12 LEU 11 HD12 LEU 11 -5.075 2.294 -4.405 225 HD13 LEU 11 HD13 LEU 11 -4.916 3.772 -3.455 226 HD21 LEU 11 HD21 LEU 11 -1.544 3.179 -2.304 227 HD22 LEU 11 HD22 LEU 11 -3.122 3.870 -1.927 228 HD23 LEU 11 HD23 LEU 11 -2.147 4.557 -3.222 229 H VAL 12 H VAL 12 -1.583 -0.797 -5.720 230 HA VAL 12 HA VAL 12 -0.650 -2.894 -3.885 231 HB VAL 12 HB VAL 12 -0.879 -4.361 -6.001 232 HG11 VAL 12 HG11 VAL 12 -3.201 -4.700 -5.528 233 HG12 VAL 12 HG12 VAL 12 -3.382 -3.047 -4.940 234 HG13 VAL 12 HG13 VAL 12 -2.432 -4.211 -4.018 235 HG21 VAL 12 HG21 VAL 12 -0.936 -2.506 -7.612 236 HG22 VAL 12 HG22 VAL 12 -2.428 -1.913 -6.883 237 HG23 VAL 12 HG23 VAL 12 -2.405 -3.474 -7.701 238 H GLU 13 H GLU 13 0.484 -1.289 -6.866 239 HA GLU 13 HA GLU 13 2.761 -2.756 -7.448 240 HB2 GLU 13 HB2 GLU 13 2.453 -0.848 -8.801 241 HB3 GLU 13 HB1 GLU 13 2.259 0.216 -7.409 242 HG2 GLU 13 HG2 GLU 13 4.501 0.524 -7.172 243 HG3 GLU 13 HG1 GLU 13 4.866 -1.162 -7.541 244 H ALA 14 H ALA 14 2.068 -0.762 -4.723 245 HA ALA 14 HA ALA 14 4.735 -0.789 -3.574 246 HB1 ALA 14 HB1 ALA 14 3.445 1.046 -2.878 247 HB2 ALA 14 HB2 ALA 14 3.279 -0.055 -1.509 248 HB3 ALA 14 HB3 ALA 14 1.988 0.067 -2.704 249 H LEU 15 H LEU 15 1.650 -2.286 -2.675 250 HA LEU 15 HA LEU 15 2.897 -4.130 -0.796 251 HB2 LEU 15 HB2 LEU 15 0.118 -3.701 -1.864 252 HB3 LEU 15 HB1 LEU 15 0.490 -5.136 -0.908 253 HG LEU 15 HG LEU 15 1.602 -2.775 0.350 254 HD11 LEU 15 HD11 LEU 15 -0.304 -1.689 -0.883 255 HD12 LEU 15 HD12 LEU 15 -0.454 -1.596 0.872 256 HD13 LEU 15 HD13 LEU 15 -1.407 -2.773 -0.032 257 HD21 LEU 15 HD21 LEU 15 1.229 -4.301 1.980 258 HD22 LEU 15 HD22 LEU 15 0.081 -5.190 0.978 259 HD23 LEU 15 HD23 LEU 15 -0.462 -3.803 1.923 260 H TYR 16 H TYR 16 2.837 -4.094 -4.082 261 HA TYR 16 HA TYR 16 2.287 -6.940 -4.543 262 HB2 TYR 16 HB2 TYR 16 1.550 -5.878 -6.423 263 HB3 TYR 16 HB1 TYR 16 2.593 -4.487 -6.159 264 HD1 TYR 16 HD1 TYR 16 2.806 -8.100 -7.137 265 HD2 TYR 16 HD2 TYR 16 4.373 -4.127 -7.595 266 HE1 TYR 16 HE1 TYR 16 4.360 -8.917 -8.896 267 HE2 TYR 16 HE2 TYR 16 5.927 -4.941 -9.355 268 HH TYR 16 HH TYR 16 5.714 -7.237 -11.073 269 H LEU 17 H LEU 17 5.057 -4.740 -4.506 270 HA LEU 17 HA LEU 17 6.849 -7.029 -5.096 271 HB2 LEU 17 HB2 LEU 17 8.521 -4.884 -4.726 272 HB3 LEU 17 HB1 LEU 17 7.883 -5.413 -6.276 273 HG LEU 17 HG LEU 17 5.898 -3.900 -5.872 274 HD11 LEU 17 HD11 LEU 17 7.690 -2.856 -3.660 275 HD12 LEU 17 HD12 LEU 17 6.175 -3.725 -3.421 276 HD13 LEU 17 HD13 LEU 17 6.167 -2.135 -4.181 277 HD21 LEU 17 HD21 LEU 17 7.209 -1.808 -6.365 278 HD22 LEU 17 HD22 LEU 17 7.640 -3.185 -7.377 279 HD23 LEU 17 HD23 LEU 17 8.682 -2.720 -6.031 280 H VAL 18 H VAL 18 5.617 -5.300 -2.432 281 HA VAL 18 HA VAL 18 7.906 -5.914 -0.687 282 HB VAL 18 HB VAL 18 6.669 -4.865 1.065 283 HG11 VAL 18 HG11 VAL 18 7.308 -3.024 -0.130 284 HG12 VAL 18 HG12 VAL 18 5.571 -2.865 -0.395 285 HG13 VAL 18 HG13 VAL 18 6.585 -3.623 -1.622 286 HG21 VAL 18 HG21 VAL 18 4.291 -5.314 -0.740 287 HG22 VAL 18 HG22 VAL 18 4.236 -4.231 0.651 288 HG23 VAL 18 HG23 VAL 18 4.548 -5.951 0.884 289 H CYS 19 H CYS 19 4.620 -7.051 -1.240 290 HA CYS 19 HA CYS 19 5.064 -9.308 0.636 291 HB2 CYS 19 HB2 CYS 19 2.696 -7.955 -0.528 292 HB3 CYS 19 HB1 CYS 19 2.552 -9.701 -0.322 293 H GLY 20 H GLY 20 3.665 -8.953 -2.648 294 HA2 GLY 20 HA2 GLY 20 4.611 -10.180 -4.556 295 HA3 GLY 20 HA1 GLY 20 5.173 -11.410 -3.422 296 H GLU 21 H GLU 21 4.030 -13.247 -3.794 297 HA GLU 21 HA GLU 21 1.163 -13.026 -4.546 298 HB2 GLU 21 HB2 GLU 21 3.085 -14.582 -5.621 299 HB3 GLU 21 HB1 GLU 21 2.503 -15.679 -4.368 300 HG2 GLU 21 HG2 GLU 21 0.140 -15.134 -5.227 301 HG3 GLU 21 HG1 GLU 21 0.940 -14.441 -6.638 302 H ARG 22 H ARG 22 2.381 -12.679 -1.756 303 HA ARG 22 HA ARG 22 1.185 -14.970 -0.316 304 HB2 ARG 22 HB2 ARG 22 3.385 -13.482 0.232 305 HB3 ARG 22 HB1 ARG 22 2.184 -12.615 1.190 306 HG2 ARG 22 HG2 ARG 22 3.193 -14.377 2.552 307 HG3 ARG 22 HG1 ARG 22 1.503 -14.772 2.235 308 HD2 ARG 22 HD2 ARG 22 2.153 -16.724 1.327 309 HD3 ARG 22 HD1 ARG 22 3.026 -15.831 0.080 310 HE ARG 22 HE ARG 22 5.010 -15.877 1.604 311 HH11 ARG 22 HH21 ARG 22 3.376 -16.741 4.041 312 HH12 ARG 22 HH22 ARG 22 3.830 -18.408 4.166 313 HH21 ARG 22 HH11 ARG 22 5.159 -18.562 0.968 314 HH22 ARG 22 HH12 ARG 22 4.839 -19.438 2.427 315 H GLY 23 H GLY 23 0.098 -12.092 -1.609 316 HA2 GLY 23 HA2 GLY 23 -2.489 -12.053 -0.975 317 HA3 GLY 23 HA1 GLY 23 -1.825 -11.537 0.577 318 H ALA 24 H ALA 24 -3.513 -9.838 -0.866 319 HA ALA 24 HA ALA 24 -2.095 -7.408 -0.898 320 HB1 ALA 24 HB1 ALA 24 -1.866 -8.975 -3.387 321 HB2 ALA 24 HB2 ALA 24 -0.867 -7.646 -2.798 322 HB3 ALA 24 HB3 ALA 24 -2.390 -7.309 -3.622 323 H PHE 25 H PHE 25 -4.649 -8.376 -0.122 324 HA PHE 25 HA PHE 25 -6.344 -6.445 -1.580 325 HB2 PHE 25 HB2 PHE 25 -8.193 -8.100 -1.747 326 HB3 PHE 25 HB1 PHE 25 -6.790 -8.576 -2.703 327 HD1 PHE 25 HD1 PHE 25 -8.327 -9.031 0.684 328 HD2 PHE 25 HD2 PHE 25 -5.808 -10.682 -2.382 329 HE1 PHE 25 HE1 PHE 25 -8.184 -11.160 1.949 330 HE2 PHE 25 HE2 PHE 25 -5.664 -12.812 -1.116 331 HZ PHE 25 HZ PHE 25 -6.851 -13.051 1.049 332 H TYR 26 H TYR 26 -8.199 -5.770 -0.310 333 HA TYR 26 HA TYR 26 -8.232 -6.713 2.505 334 HB2 TYR 26 HB2 TYR 26 -8.665 -4.054 2.876 335 HB3 TYR 26 HB1 TYR 26 -7.093 -4.822 3.075 336 HD1 TYR 26 HD2 TYR 26 -5.439 -4.794 1.189 337 HD2 TYR 26 HD1 TYR 26 -9.101 -2.552 1.058 338 HE1 TYR 26 HE2 TYR 26 -4.528 -3.417 -0.664 339 HE2 TYR 26 HE1 TYR 26 -8.194 -1.175 -0.795 340 HH TYR 26 HH TYR 26 -6.478 -0.821 -2.151 341 H THR 27 H THR 27 -9.785 -4.414 0.291 342 HA THR 27 HA THR 27 -12.384 -5.705 0.794 343 HB THR 27 HB THR 27 -12.019 -3.927 2.599 344 HG1 THR 27 HG1 THR 27 -14.168 -3.443 0.822 345 HG21 THR 27 HG21 THR 27 -12.239 -2.166 0.145 346 HG22 THR 27 HG22 THR 27 -10.911 -2.221 1.303 347 HG23 THR 27 HG23 THR 27 -12.479 -1.582 1.791 348 H LYS 28 H LYS 28 -14.050 -4.882 -0.719 349 HA LYS 28 HA LYS 28 -12.921 -3.366 -3.025 350 HB2 LYS 28 HB2 LYS 28 -13.946 -6.144 -2.979 351 HB3 LYS 28 HB1 LYS 28 -14.547 -5.136 -4.296 352 HG2 LYS 28 HG2 LYS 28 -12.228 -4.545 -4.904 353 HG3 LYS 28 HG1 LYS 28 -11.627 -5.561 -3.592 354 HD2 LYS 28 HD2 LYS 28 -12.425 -7.550 -4.628 355 HD3 LYS 28 HD1 LYS 28 -13.424 -6.647 -5.766 356 HE2 LYS 28 HE2 LYS 28 -11.695 -6.328 -7.192 357 HE3 LYS 28 HE1 LYS 28 -10.593 -5.896 -5.886 358 HZ1 LYS 28 HZ1 LYS 28 -11.234 -8.554 -6.968 359 HZ2 LYS 28 HZ2 LYS 28 -10.707 -8.407 -5.360 360 HZ3 LYS 28 HZ3 LYS 28 -9.718 -7.869 -6.634 361 HA PRO 29 HA PRO 29 -16.931 -1.535 -1.979 362 HB2 PRO 29 HB2 PRO 29 -16.242 0.962 -2.900 363 HB3 PRO 29 HB1 PRO 29 -15.850 0.375 -1.275 364 HG2 PRO 29 HG2 PRO 29 -14.055 0.706 -3.636 365 HG3 PRO 29 HG1 PRO 29 -13.659 0.755 -1.909 366 HD2 PRO 29 HD2 PRO 29 -13.203 -1.429 -3.646 367 HD3 PRO 29 HD1 PRO 29 -13.143 -1.479 -1.872 368 H THR 30 H THR 30 -18.321 -2.385 -3.540 369 HA THR 30 HA THR 30 -18.413 -0.978 -6.138 370 HB THR 30 HB THR 30 -18.352 -2.972 -7.471 371 HG1 THR 30 HG1 THR 30 -18.720 -4.163 -4.988 372 HG21 THR 30 HG21 THR 30 -16.182 -3.319 -5.390 373 HG22 THR 30 HG22 THR 30 -16.154 -2.053 -6.617 374 HG23 THR 30 HG23 THR 30 -16.107 -3.749 -7.099 Start of MODEL 9 1 H1 GLY 1 HT1 GLY 1 -10.943 4.891 6.118 2 H2 GLY 1 HT2 GLY 1 -11.183 5.933 4.798 3 H3 GLY 1 HT3 GLY 1 -9.746 6.018 5.699 4 HA2 GLY 1 HA1 GLY 1 -10.075 3.442 4.657 5 HA3 GLY 1 HA2 GLY 1 -10.170 4.618 3.312 6 H ILE 2 H ILE 2 -8.311 3.000 2.899 7 HA ILE 2 HA ILE 2 -6.240 2.712 5.013 8 HB ILE 2 HB ILE 2 -7.244 0.743 3.610 9 HG12 ILE 2 HG12 ILE 2 -5.429 0.357 5.126 10 HG13 ILE 2 HG11 ILE 2 -4.945 -0.350 3.585 11 HG21 ILE 2 HG21 ILE 2 -5.171 1.849 1.691 12 HG22 ILE 2 HG22 ILE 2 -6.911 1.802 1.407 13 HG23 ILE 2 HG23 ILE 2 -5.996 0.299 1.528 14 HD11 ILE 2 HD11 ILE 2 -3.839 1.936 3.104 15 HD12 ILE 2 HD12 ILE 2 -3.048 0.878 4.271 16 HD13 ILE 2 HD13 ILE 2 -4.021 2.235 4.832 17 H VAL 3 H VAL 3 -6.636 3.754 1.632 18 HA VAL 3 HA VAL 3 -3.864 4.614 1.401 19 HB VAL 3 HB VAL 3 -4.494 5.468 -0.753 20 HG11 VAL 3 HG11 VAL 3 -4.451 3.026 -0.612 21 HG12 VAL 3 HG12 VAL 3 -5.732 3.535 -1.713 22 HG13 VAL 3 HG13 VAL 3 -6.131 3.007 -0.078 23 HG21 VAL 3 HG21 VAL 3 -6.449 6.753 -0.196 24 HG22 VAL 3 HG22 VAL 3 -7.314 5.314 0.341 25 HG23 VAL 3 HG23 VAL 3 -6.958 5.540 -1.371 26 H GLU 4 H GLU 4 -6.376 5.830 3.171 27 HA GLU 4 HA GLU 4 -6.716 8.503 2.789 28 HB2 GLU 4 HB2 GLU 4 -6.850 8.806 5.184 29 HB3 GLU 4 HB1 GLU 4 -7.462 7.195 4.808 30 HG2 GLU 4 HG2 GLU 4 -5.175 6.280 5.305 31 HG3 GLU 4 HG1 GLU 4 -4.704 7.892 5.847 32 H GLN 5 H GLN 5 -3.662 6.981 3.652 33 HA GLN 5 HA GLN 5 -2.418 9.686 3.775 34 HB2 GLN 5 HB2 GLN 5 -0.405 8.016 4.516 35 HB3 GLN 5 HB1 GLN 5 -1.544 8.730 5.656 36 HG2 GLN 5 HG2 GLN 5 -2.876 6.759 5.722 37 HG3 GLN 5 HG1 GLN 5 -2.096 6.090 4.289 38 HE21 GLN 5 HE21 GLN 5 -0.958 7.386 7.473 39 HE22 GLN 5 HE22 GLN 5 0.108 6.100 7.773 40 H CYS 6 H CYS 6 -1.134 6.506 2.754 41 HA CYS 6 HA CYS 6 0.781 7.286 0.974 42 HB2 CYS 6 HB2 CYS 6 -1.245 5.076 0.546 43 HB3 CYS 6 HB1 CYS 6 0.234 5.260 -0.396 44 H CYS 7 H CYS 7 -2.709 7.342 0.308 45 HA CYS 7 HA CYS 7 -2.370 8.131 -2.455 46 HB2 CYS 7 HB2 CYS 7 -4.599 7.721 -0.599 47 HB3 CYS 7 HB1 CYS 7 -4.868 9.021 -1.750 48 H THR 8 H THR 8 -3.085 9.935 0.551 49 HA THR 8 HA THR 8 -2.956 12.480 -0.935 50 HB THR 8 HB THR 8 -4.606 12.104 0.923 51 HG1 THR 8 HG1 THR 8 -4.443 14.184 0.893 52 HG21 THR 8 HG21 THR 8 -3.852 12.052 3.205 53 HG22 THR 8 HG22 THR 8 -2.182 12.345 2.719 54 HG23 THR 8 HG23 THR 8 -2.955 10.806 2.337 55 H SER 9 H SER 9 -1.131 10.885 1.701 56 HA SER 9 HA SER 9 1.102 12.781 1.107 57 HB2 SER 9 HB2 SER 9 1.729 11.675 3.533 58 HB3 SER 9 HB1 SER 9 0.910 13.216 3.319 59 HG SER 9 HG SER 9 -0.290 11.884 4.691 60 H ILE 10 H ILE 10 3.146 11.415 2.376 61 HA ILE 10 HA ILE 10 3.495 9.120 0.525 62 HB ILE 10 HB ILE 10 5.667 10.198 2.296 63 HG12 ILE 10 HG12 ILE 10 4.400 12.132 1.208 64 HG13 ILE 10 HG11 ILE 10 6.110 12.022 0.800 65 HG21 ILE 10 HG21 ILE 10 6.794 9.802 -0.088 66 HG22 ILE 10 HG22 ILE 10 5.394 8.751 -0.307 67 HG23 ILE 10 HG23 ILE 10 6.514 8.463 1.026 68 HD11 ILE 10 HD11 ILE 10 5.480 10.757 -1.271 69 HD12 ILE 10 HD12 ILE 10 4.856 12.406 -1.244 70 HD13 ILE 10 HD13 ILE 10 3.785 11.053 -0.884 71 H CYS 11 H CYS 11 4.882 7.281 1.541 72 HA CYS 11 HA CYS 11 4.538 6.846 4.406 73 HB2 CYS 11 HB2 CYS 11 3.230 4.645 3.887 74 HB3 CYS 11 HB1 CYS 11 2.338 6.165 3.947 75 H SER 12 H SER 12 5.589 4.819 5.077 76 HA SER 12 HA SER 12 7.886 4.207 3.376 77 HB2 SER 12 HB2 SER 12 7.996 2.406 5.425 78 HB3 SER 12 HB1 SER 12 8.654 4.038 5.506 79 HG SER 12 HG SER 12 6.856 4.709 6.560 80 H LEU 13 H LEU 13 8.013 2.518 1.970 81 HA LEU 13 HA LEU 13 5.812 0.936 1.241 82 HB2 LEU 13 HB2 LEU 13 7.441 -0.518 0.086 83 HB3 LEU 13 HB1 LEU 13 7.827 1.186 -0.162 84 HG LEU 13 HG LEU 13 9.055 -0.123 2.210 85 HD11 LEU 13 HD11 LEU 13 9.187 -1.436 -0.249 86 HD12 LEU 13 HD12 LEU 13 10.296 -1.649 1.107 87 HD13 LEU 13 HD13 LEU 13 10.682 -0.504 -0.178 88 HD21 LEU 13 HD21 LEU 13 10.992 1.236 0.834 89 HD22 LEU 13 HD22 LEU 13 9.938 1.973 2.041 90 HD23 LEU 13 HD23 LEU 13 9.543 2.104 0.327 91 H TYR 14 H TYR 14 8.104 0.484 3.832 92 HA TYR 14 HA TYR 14 7.357 -2.300 4.267 93 HB2 TYR 14 HB2 TYR 14 8.600 -2.081 6.417 94 HB3 TYR 14 HB1 TYR 14 9.557 -1.590 5.024 95 HD1 TYR 14 HD1 TYR 14 7.403 -0.263 7.773 96 HD2 TYR 14 HD2 TYR 14 10.484 0.576 4.896 97 HE1 TYR 14 HE1 TYR 14 7.788 1.948 8.828 98 HE2 TYR 14 HE2 TYR 14 10.867 2.789 5.948 99 HH TYR 14 HH TYR 14 9.191 3.720 8.929 100 H GLN 15 H GLN 15 6.148 0.795 5.206 101 HA GLN 15 HA GLN 15 4.537 -0.206 7.406 102 HB2 GLN 15 HB2 GLN 15 3.993 1.993 7.726 103 HB3 GLN 15 HB1 GLN 15 5.368 2.271 6.674 104 HG2 GLN 15 HG2 GLN 15 3.945 2.539 4.750 105 HG3 GLN 15 HG1 GLN 15 2.531 1.993 5.648 106 HE21 GLN 15 HE21 GLN 15 1.457 4.086 5.208 107 HE22 GLN 15 HE22 GLN 15 1.911 5.479 6.066 108 H LEU 16 H LEU 16 4.330 -0.008 3.971 109 HA LEU 16 HA LEU 16 1.451 -0.300 3.749 110 HB2 LEU 16 HB2 LEU 16 3.786 -0.610 1.869 111 HB3 LEU 16 HB1 LEU 16 2.179 -1.141 1.379 112 HG LEU 16 HG LEU 16 2.878 1.277 0.787 113 HD11 LEU 16 HD11 LEU 16 0.457 1.944 1.938 114 HD12 LEU 16 HD12 LEU 16 0.364 0.187 1.828 115 HD13 LEU 16 HD13 LEU 16 0.658 1.147 0.377 116 HD21 LEU 16 HD21 LEU 16 2.305 1.541 3.754 117 HD22 LEU 16 HD22 LEU 16 2.374 2.901 2.634 118 HD23 LEU 16 HD23 LEU 16 3.814 1.931 2.930 119 H GLU 17 H GLU 17 4.189 -2.453 4.105 120 HA GLU 17 HA GLU 17 3.057 -4.896 3.267 121 HB2 GLU 17 HB2 GLU 17 5.260 -5.196 3.878 122 HB3 GLU 17 HB1 GLU 17 5.148 -4.069 5.227 123 HG2 GLU 17 HG2 GLU 17 4.160 -5.689 6.644 124 HG3 GLU 17 HG1 GLU 17 3.757 -6.748 5.292 125 H ASN 18 H ASN 18 2.247 -2.863 5.933 126 HA ASN 18 HA ASN 18 1.062 -4.758 7.698 127 HB2 ASN 18 HB2 ASN 18 1.454 -2.068 7.775 128 HB3 ASN 18 HB1 ASN 18 -0.279 -2.131 7.456 129 HD21 ASN 18 HD21 ASN 18 -0.634 -4.725 8.890 130 HD22 ASN 18 HD22 ASN 18 -0.500 -4.363 10.543 131 H TYR 19 H TYR 19 -0.011 -3.473 4.665 132 HA TYR 19 HA TYR 19 -2.732 -4.607 5.112 133 HB2 TYR 19 HB2 TYR 19 -2.136 -3.137 2.599 134 HB3 TYR 19 HB1 TYR 19 -3.559 -3.060 3.636 135 HD1 TYR 19 HD2 TYR 19 -2.606 -2.351 6.239 136 HD2 TYR 19 HD1 TYR 19 -1.177 -1.017 2.412 137 HE1 TYR 19 HE2 TYR 19 -1.729 -0.282 7.288 138 HE2 TYR 19 HE1 TYR 19 -0.300 1.052 3.462 139 HH TYR 19 HH TYR 19 0.080 2.121 5.380 140 H CYS 20 H CYS 20 -0.253 -6.171 4.554 141 HA CYS 20 HA CYS 20 -0.221 -7.058 1.837 142 HB2 CYS 20 HB2 CYS 20 0.618 -8.353 4.433 143 HB3 CYS 20 HB1 CYS 20 0.803 -9.169 2.881 144 H ASN 21 H ASN 21 -2.557 -7.468 4.272 145 HA ASN 21 HA ASN 21 -3.582 -10.000 3.120 146 HB2 ASN 21 HB2 ASN 21 -4.354 -8.349 5.531 147 HB3 ASN 21 HB1 ASN 21 -5.318 -9.717 4.976 148 HD21 ASN 21 HD21 ASN 21 -2.957 -8.976 7.180 149 HD22 ASN 21 HD22 ASN 21 -2.178 -10.480 7.283 150 H1 PHE 1 HT1 PHE 1 8.930 -0.598 -2.747 151 H2 PHE 1 HT2 PHE 1 8.881 0.678 -1.627 152 H3 PHE 1 HT3 PHE 1 10.374 0.045 -2.136 153 HA PHE 1 HA PHE 1 10.105 0.904 -4.320 154 HB2 PHE 1 HB2 PHE 1 7.993 2.307 -4.740 155 HB3 PHE 1 HB1 PHE 1 7.789 0.555 -4.734 156 HD1 PHE 1 HD2 PHE 1 6.974 -0.583 -2.612 157 HD2 PHE 1 HD1 PHE 1 6.872 3.680 -3.157 158 HE1 PHE 1 HE2 PHE 1 5.327 -0.386 -0.767 159 HE2 PHE 1 HE1 PHE 1 5.226 3.876 -1.310 160 HZ PHE 1 HZ PHE 1 4.454 1.844 -0.115 161 H VAL 2 H VAL 2 9.461 3.515 -4.727 162 HA VAL 2 HA VAL 2 11.211 4.871 -2.818 163 HB VAL 2 HB VAL 2 10.970 6.799 -4.278 164 HG11 VAL 2 HG11 VAL 2 11.029 4.296 -5.987 165 HG12 VAL 2 HG12 VAL 2 12.388 4.835 -4.999 166 HG13 VAL 2 HG13 VAL 2 11.812 5.839 -6.330 167 HG21 VAL 2 HG21 VAL 2 9.408 6.612 -6.253 168 HG22 VAL 2 HG22 VAL 2 8.589 6.731 -4.695 169 HG23 VAL 2 HG23 VAL 2 8.727 5.169 -5.501 170 H ASN 3 H ASN 3 10.177 7.348 -2.445 171 HA ASN 3 HA ASN 3 7.630 6.797 -0.976 172 HB2 ASN 3 HB2 ASN 3 9.941 8.638 -0.319 173 HB3 ASN 3 HB1 ASN 3 8.385 8.717 0.508 174 HD21 ASN 3 HD21 ASN 3 10.038 8.102 2.377 175 HD22 ASN 3 HD22 ASN 3 10.230 6.439 2.661 176 H GLN 4 H GLN 4 6.222 7.495 -2.647 177 HA GLN 4 HA GLN 4 6.154 10.428 -3.008 178 HB2 GLN 4 HB2 GLN 4 6.113 10.362 -5.359 179 HB3 GLN 4 HB1 GLN 4 7.376 9.203 -4.954 180 HG2 GLN 4 HG2 GLN 4 4.488 8.536 -5.609 181 HG3 GLN 4 HG1 GLN 4 5.881 8.256 -6.653 182 HE21 GLN 4 HE21 GLN 4 6.911 6.255 -6.423 183 HE22 GLN 4 HE22 GLN 4 6.682 5.197 -5.116 184 H HIS 5 H HIS 5 3.998 10.686 -4.614 185 HA HIS 5 HA HIS 5 1.840 9.593 -2.943 186 HB2 HIS 5 HB2 HIS 5 1.753 11.414 -5.364 187 HB3 HIS 5 HB1 HIS 5 0.368 11.007 -4.354 188 HD2 HIS 5 HD2 HIS 5 3.869 12.823 -3.853 189 HE1 HIS 5 HE1 HIS 5 1.116 14.227 -0.966 190 HE2 HIS 5 HE2 HIS 5 3.477 14.494 -1.897 191 H LEU 6 H LEU 6 0.451 7.955 -3.567 192 HA LEU 6 HA LEU 6 0.392 7.091 -6.368 193 HB2 LEU 6 HB2 LEU 6 1.008 4.756 -5.820 194 HB3 LEU 6 HB1 LEU 6 2.332 5.872 -5.546 195 HG LEU 6 HG LEU 6 2.222 4.278 -3.711 196 HD11 LEU 6 HD11 LEU 6 2.461 6.928 -3.363 197 HD12 LEU 6 HD12 LEU 6 2.521 5.787 -2.020 198 HD13 LEU 6 HD13 LEU 6 1.026 6.649 -2.376 199 HD21 LEU 6 HD21 LEU 6 -0.368 5.218 -2.661 200 HD22 LEU 6 HD22 LEU 6 0.314 3.594 -2.694 201 HD23 LEU 6 HD23 LEU 6 -0.475 4.245 -4.129 202 H CYS 7 H CYS 7 -1.396 5.658 -6.817 203 HA CYS 7 HA CYS 7 -3.229 4.996 -4.608 204 HB2 CYS 7 HB2 CYS 7 -3.938 6.991 -6.773 205 HB3 CYS 7 HB1 CYS 7 -5.138 6.187 -5.763 206 H GLY 8 H GLY 8 -5.307 3.987 -5.646 207 HA2 GLY 8 HA2 GLY 8 -6.149 2.180 -6.874 208 HA3 GLY 8 HA1 GLY 8 -5.421 2.988 -8.259 209 H SER 9 H SER 9 -4.428 1.368 -9.353 210 HA SER 9 HA SER 9 -3.313 -0.989 -8.279 211 HB2 SER 9 HB2 SER 9 -3.761 -0.274 -10.764 212 HB3 SER 9 HB1 SER 9 -2.102 0.315 -10.700 213 HG SER 9 HG SER 9 -3.010 -2.312 -10.102 214 H ASP 10 H ASP 10 -2.131 2.225 -8.128 215 HA ASP 10 HA ASP 10 0.671 1.514 -7.900 216 HB2 ASP 10 HB2 ASP 10 -0.571 4.009 -6.766 217 HB3 ASP 10 HB1 ASP 10 1.055 3.796 -7.412 218 H LEU 11 H LEU 11 -1.995 1.992 -5.648 219 HA LEU 11 HA LEU 11 -0.441 1.895 -3.246 220 HB2 LEU 11 HB2 LEU 11 -3.227 0.759 -3.611 221 HB3 LEU 11 HB1 LEU 11 -2.494 1.297 -2.103 222 HG LEU 11 HG LEU 11 -2.520 3.322 -4.250 223 HD11 LEU 11 HD11 LEU 11 -4.934 3.845 -3.825 224 HD12 LEU 11 HD12 LEU 11 -5.071 2.317 -2.955 225 HD13 LEU 11 HD13 LEU 11 -4.699 2.319 -4.677 226 HD21 LEU 11 HD21 LEU 11 -1.959 4.339 -2.284 227 HD22 LEU 11 HD22 LEU 11 -2.729 3.091 -1.309 228 HD23 LEU 11 HD23 LEU 11 -3.699 4.380 -2.021 229 H VAL 12 H VAL 12 -1.657 -0.564 -5.421 230 HA VAL 12 HA VAL 12 -0.745 -2.720 -3.648 231 HB VAL 12 HB VAL 12 -1.192 -4.181 -5.697 232 HG11 VAL 12 HG11 VAL 12 -3.696 -3.939 -5.385 233 HG12 VAL 12 HG12 VAL 12 -3.351 -2.539 -4.368 234 HG13 VAL 12 HG13 VAL 12 -2.766 -4.135 -3.900 235 HG21 VAL 12 HG21 VAL 12 -2.424 -1.589 -6.673 236 HG22 VAL 12 HG22 VAL 12 -2.681 -3.172 -7.402 237 HG23 VAL 12 HG23 VAL 12 -1.074 -2.452 -7.411 238 H GLU 13 H GLU 13 0.315 -1.222 -6.720 239 HA GLU 13 HA GLU 13 2.502 -2.802 -7.344 240 HB2 GLU 13 HB2 GLU 13 2.131 -0.899 -8.732 241 HB3 GLU 13 HB1 GLU 13 2.212 0.208 -7.360 242 HG2 GLU 13 HG2 GLU 13 4.440 0.414 -7.587 243 HG3 GLU 13 HG1 GLU 13 4.647 -1.336 -7.525 244 H ALA 14 H ALA 14 2.092 -0.517 -4.766 245 HA ALA 14 HA ALA 14 4.766 -0.650 -3.692 246 HB1 ALA 14 HB1 ALA 14 3.235 0.089 -1.577 247 HB2 ALA 14 HB2 ALA 14 2.132 0.463 -2.902 248 HB3 ALA 14 HB3 ALA 14 3.726 1.213 -2.845 249 H LEU 15 H LEU 15 1.680 -2.079 -2.676 250 HA LEU 15 HA LEU 15 2.893 -3.809 -0.700 251 HB2 LEU 15 HB2 LEU 15 0.187 -3.426 -1.882 252 HB3 LEU 15 HB1 LEU 15 0.519 -5.010 -1.179 253 HG LEU 15 HG LEU 15 1.545 -3.002 0.593 254 HD11 LEU 15 HD11 LEU 15 -0.957 -2.294 -0.763 255 HD12 LEU 15 HD12 LEU 15 0.081 -1.304 0.262 256 HD13 LEU 15 HD13 LEU 15 -1.123 -2.366 0.991 257 HD21 LEU 15 HD21 LEU 15 -0.715 -4.110 1.760 258 HD22 LEU 15 HD22 LEU 15 0.907 -4.801 1.814 259 HD23 LEU 15 HD23 LEU 15 -0.236 -5.331 0.581 260 H TYR 16 H TYR 16 1.262 -4.556 -3.724 261 HA TYR 16 HA TYR 16 1.595 -7.108 -4.303 262 HB2 TYR 16 HB2 TYR 16 0.923 -5.975 -6.178 263 HB3 TYR 16 HB1 TYR 16 2.093 -4.682 -5.947 264 HD1 TYR 16 HD1 TYR 16 2.024 -8.357 -6.705 265 HD2 TYR 16 HD2 TYR 16 3.882 -4.552 -7.428 266 HE1 TYR 16 HE1 TYR 16 3.503 -9.405 -8.401 267 HE2 TYR 16 HE2 TYR 16 5.362 -5.598 -9.126 268 HH TYR 16 HH TYR 16 6.007 -8.680 -9.353 269 H LEU 17 H LEU 17 4.478 -4.927 -4.320 270 HA LEU 17 HA LEU 17 6.119 -7.370 -4.734 271 HB2 LEU 17 HB2 LEU 17 7.958 -5.357 -4.595 272 HB3 LEU 17 HB1 LEU 17 7.213 -5.940 -6.076 273 HG LEU 17 HG LEU 17 5.384 -4.230 -5.708 274 HD11 LEU 17 HD11 LEU 17 5.775 -2.459 -4.123 275 HD12 LEU 17 HD12 LEU 17 7.392 -3.062 -3.770 276 HD13 LEU 17 HD13 LEU 17 5.980 -3.976 -3.255 277 HD21 LEU 17 HD21 LEU 17 7.034 -3.737 -7.360 278 HD22 LEU 17 HD22 LEU 17 8.266 -3.419 -6.139 279 HD23 LEU 17 HD23 LEU 17 6.928 -2.291 -6.357 280 H VAL 18 H VAL 18 5.253 -5.218 -2.132 281 HA VAL 18 HA VAL 18 7.596 -5.919 -0.530 282 HB VAL 18 HB VAL 18 6.580 -4.746 1.270 283 HG11 VAL 18 HG11 VAL 18 6.361 -3.628 -1.439 284 HG12 VAL 18 HG12 VAL 18 7.092 -2.936 0.009 285 HG13 VAL 18 HG13 VAL 18 5.352 -2.811 -0.247 286 HG21 VAL 18 HG21 VAL 18 4.421 -5.750 1.386 287 HG22 VAL 18 HG22 VAL 18 4.003 -5.200 -0.231 288 HG23 VAL 18 HG23 VAL 18 4.136 -4.037 1.083 289 H CYS 19 H CYS 19 4.248 -6.955 -0.739 290 HA CYS 19 HA CYS 19 4.674 -9.098 1.242 291 HB2 CYS 19 HB2 CYS 19 2.238 -8.872 -0.511 292 HB3 CYS 19 HB1 CYS 19 2.358 -9.453 1.148 293 H GLY 20 H GLY 20 3.842 -8.835 -2.223 294 HA2 GLY 20 HA2 GLY 20 4.679 -10.207 -3.976 295 HA3 GLY 20 HA1 GLY 20 5.419 -11.257 -2.768 296 H GLU 21 H GLU 21 4.517 -13.242 -2.769 297 HA GLU 21 HA GLU 21 2.068 -13.890 -4.071 298 HB2 GLU 21 HB2 GLU 21 4.153 -15.339 -3.080 299 HB3 GLU 21 HB1 GLU 21 2.911 -15.679 -1.873 300 HG2 GLU 21 HG2 GLU 21 1.515 -15.880 -4.251 301 HG3 GLU 21 HG1 GLU 21 3.088 -16.564 -4.664 302 H ARG 22 H ARG 22 2.594 -12.425 -1.037 303 HA ARG 22 HA ARG 22 0.515 -13.480 0.553 304 HB2 ARG 22 HB2 ARG 22 2.293 -11.390 0.804 305 HB3 ARG 22 HB1 ARG 22 0.746 -10.551 0.687 306 HG2 ARG 22 HG2 ARG 22 0.473 -11.017 2.881 307 HG3 ARG 22 HG1 ARG 22 0.206 -12.690 2.385 308 HD2 ARG 22 HD2 ARG 22 2.585 -13.183 2.627 309 HD3 ARG 22 HD1 ARG 22 2.922 -11.495 3.014 310 HE ARG 22 HE ARG 22 1.009 -12.362 4.887 311 HH11 ARG 22 HH21 ARG 22 3.726 -11.302 5.612 312 HH12 ARG 22 HH22 ARG 22 4.443 -12.666 6.402 313 HH21 ARG 22 HH11 ARG 22 2.135 -14.934 5.161 314 HH22 ARG 22 HH12 ARG 22 3.542 -14.721 6.147 315 H GLY 23 H GLY 23 0.338 -11.684 -2.366 316 HA2 GLY 23 HA2 GLY 23 -1.483 -10.811 -3.563 317 HA3 GLY 23 HA1 GLY 23 -2.421 -12.066 -2.752 318 H ALA 24 H ALA 24 -1.774 -8.699 -2.912 319 HA ALA 24 HA ALA 24 -2.909 -8.062 -0.290 320 HB1 ALA 24 HB1 ALA 24 -2.617 -5.767 -0.920 321 HB2 ALA 24 HB2 ALA 24 -2.517 -6.185 -2.631 322 HB3 ALA 24 HB3 ALA 24 -1.210 -6.634 -1.536 323 H PHE 25 H PHE 25 -4.923 -9.339 -0.686 324 HA PHE 25 HA PHE 25 -6.815 -8.137 -2.606 325 HB2 PHE 25 HB2 PHE 25 -8.333 -9.997 -1.668 326 HB3 PHE 25 HB1 PHE 25 -6.924 -10.511 -2.596 327 HD1 PHE 25 HD1 PHE 25 -8.319 -10.122 0.813 328 HD2 PHE 25 HD2 PHE 25 -5.066 -11.642 -1.550 329 HE1 PHE 25 HE1 PHE 25 -7.485 -11.390 2.775 330 HE2 PHE 25 HE2 PHE 25 -4.233 -12.910 0.413 331 HZ PHE 25 HZ PHE 25 -5.443 -12.785 2.576 332 H TYR 26 H TYR 26 -6.176 -6.294 -0.702 333 HA TYR 26 HA TYR 26 -7.961 -6.399 1.586 334 HB2 TYR 26 HB2 TYR 26 -7.213 -4.154 2.044 335 HB3 TYR 26 HB1 TYR 26 -5.815 -5.068 1.478 336 HD1 TYR 26 HD2 TYR 26 -5.037 -4.822 -0.896 337 HD2 TYR 26 HD1 TYR 26 -8.090 -2.311 0.790 338 HE1 TYR 26 HE2 TYR 26 -4.728 -3.202 -2.749 339 HE2 TYR 26 HE1 TYR 26 -7.782 -0.692 -1.063 340 HH TYR 26 HH TYR 26 -5.147 -0.983 -3.339 341 H THR 27 H THR 27 -8.537 -5.950 -1.669 342 HA THR 27 HA THR 27 -10.798 -4.067 -1.212 343 HB THR 27 HB THR 27 -10.920 -4.154 -3.766 344 HG1 THR 27 HG1 THR 27 -9.798 -5.875 -4.361 345 HG21 THR 27 HG21 THR 27 -9.927 -2.191 -3.147 346 HG22 THR 27 HG22 THR 27 -8.491 -2.964 -3.819 347 HG23 THR 27 HG23 THR 27 -8.776 -2.992 -2.078 348 H LYS 28 H LYS 28 -12.806 -4.919 -0.983 349 HA LYS 28 HA LYS 28 -13.541 -7.362 -2.470 350 HB2 LYS 28 HB2 LYS 28 -14.477 -8.374 -0.330 351 HB3 LYS 28 HB1 LYS 28 -12.717 -8.373 -0.455 352 HG2 LYS 28 HG2 LYS 28 -13.026 -5.989 0.727 353 HG3 LYS 28 HG1 LYS 28 -14.492 -6.768 1.324 354 HD2 LYS 28 HD2 LYS 28 -11.655 -7.795 1.615 355 HD3 LYS 28 HD1 LYS 28 -12.692 -7.187 2.906 356 HE2 LYS 28 HE2 LYS 28 -14.005 -9.291 1.377 357 HE3 LYS 28 HE1 LYS 28 -12.482 -9.847 2.074 358 HZ1 LYS 28 HZ1 LYS 28 -13.968 -10.198 3.777 359 HZ2 LYS 28 HZ2 LYS 28 -14.874 -8.803 3.434 360 HZ3 LYS 28 HZ3 LYS 28 -13.353 -8.670 4.180 361 HA PRO 29 HA PRO 29 -16.903 -4.255 -2.126 362 HB2 PRO 29 HB2 PRO 29 -17.442 -4.228 -4.821 363 HB3 PRO 29 HB1 PRO 29 -16.238 -3.179 -4.053 364 HG2 PRO 29 HG2 PRO 29 -15.813 -5.600 -5.742 365 HG3 PRO 29 HG1 PRO 29 -14.745 -4.211 -5.483 366 HD2 PRO 29 HD2 PRO 29 -14.485 -6.754 -4.264 367 HD3 PRO 29 HD1 PRO 29 -13.634 -5.272 -3.781 368 H THR 30 H THR 30 -17.619 -6.560 -1.156 369 HA THR 30 HA THR 30 -20.135 -7.222 -2.382 370 HB THR 30 HB THR 30 -18.820 -8.452 -3.996 371 HG1 THR 30 HG1 THR 30 -19.604 -10.512 -3.576 372 HG21 THR 30 HG21 THR 30 -16.977 -9.761 -3.494 373 HG22 THR 30 HG22 THR 30 -17.548 -10.124 -1.865 374 HG23 THR 30 HG23 THR 30 -16.852 -8.544 -2.224 Start of MODEL 10 1 H1 GLY 1 HT1 GLY 1 -11.165 3.832 5.225 2 H2 GLY 1 HT2 GLY 1 -10.094 2.633 5.771 3 H3 GLY 1 HT3 GLY 1 -10.358 2.843 4.107 4 HA2 GLY 1 HA1 GLY 1 -8.904 4.570 4.046 5 HA3 GLY 1 HA2 GLY 1 -9.443 5.253 5.611 6 H ILE 2 H ILE 2 -7.995 2.718 3.383 7 HA ILE 2 HA ILE 2 -5.589 2.408 5.067 8 HB ILE 2 HB ILE 2 -6.444 0.372 4.129 9 HG12 ILE 2 HG12 ILE 2 -3.896 0.917 4.002 10 HG13 ILE 2 HG11 ILE 2 -4.500 -0.484 3.123 11 HG21 ILE 2 HG21 ILE 2 -7.753 0.684 2.303 12 HG22 ILE 2 HG22 ILE 2 -6.258 0.445 1.400 13 HG23 ILE 2 HG23 ILE 2 -6.821 2.078 1.754 14 HD11 ILE 2 HD11 ILE 2 -3.048 1.678 2.059 15 HD12 ILE 2 HD12 ILE 2 -4.699 1.901 1.485 16 HD13 ILE 2 HD13 ILE 2 -3.849 0.394 1.154 17 H VAL 3 H VAL 3 -6.594 3.980 2.102 18 HA VAL 3 HA VAL 3 -3.769 4.783 1.574 19 HB VAL 3 HB VAL 3 -4.556 5.429 -0.651 20 HG11 VAL 3 HG11 VAL 3 -4.848 3.268 -1.493 21 HG12 VAL 3 HG12 VAL 3 -5.848 2.766 -0.131 22 HG13 VAL 3 HG13 VAL 3 -4.107 2.955 0.074 23 HG21 VAL 3 HG21 VAL 3 -6.706 6.114 -0.798 24 HG22 VAL 3 HG22 VAL 3 -7.136 5.304 0.709 25 HG23 VAL 3 HG23 VAL 3 -7.149 4.408 -0.810 26 H GLU 4 H GLU 4 -6.692 5.909 2.894 27 HA GLU 4 HA GLU 4 -7.089 8.518 2.257 28 HB2 GLU 4 HB2 GLU 4 -7.467 8.992 4.695 29 HB3 GLU 4 HB1 GLU 4 -8.261 7.522 4.128 30 HG2 GLU 4 HG2 GLU 4 -6.246 6.227 4.935 31 HG3 GLU 4 HG1 GLU 4 -5.669 7.718 5.682 32 H GLN 5 H GLN 5 -4.185 7.290 3.843 33 HA GLN 5 HA GLN 5 -3.137 10.081 3.927 34 HB2 GLN 5 HB2 GLN 5 -1.237 8.742 5.249 35 HB3 GLN 5 HB1 GLN 5 -2.708 9.290 6.051 36 HG2 GLN 5 HG2 GLN 5 -3.748 7.084 5.646 37 HG3 GLN 5 HG1 GLN 5 -2.266 6.534 4.865 38 HE21 GLN 5 HE21 GLN 5 -3.857 6.759 7.883 39 HE22 GLN 5 HE22 GLN 5 -2.526 6.412 8.877 40 H CYS 6 H CYS 6 -2.089 6.773 3.018 41 HA CYS 6 HA CYS 6 0.324 7.548 1.742 42 HB2 CYS 6 HB2 CYS 6 -1.448 5.302 0.777 43 HB3 CYS 6 HB1 CYS 6 0.312 5.395 0.722 44 H CYS 7 H CYS 7 -3.007 7.698 0.672 45 HA CYS 7 HA CYS 7 -2.319 8.196 -2.119 46 HB2 CYS 7 HB2 CYS 7 -4.766 7.908 -0.525 47 HB3 CYS 7 HB1 CYS 7 -4.885 9.110 -1.805 48 H THR 8 H THR 8 -3.541 10.204 0.580 49 HA THR 8 HA THR 8 -3.497 12.654 -0.922 50 HB THR 8 HB THR 8 -4.818 12.439 1.131 51 HG1 THR 8 HG1 THR 8 -4.490 14.479 1.389 52 HG21 THR 8 HG21 THR 8 -3.799 12.190 3.295 53 HG22 THR 8 HG22 THR 8 -2.182 12.361 2.614 54 HG23 THR 8 HG23 THR 8 -3.139 10.922 2.262 55 H SER 9 H SER 9 -1.168 11.259 1.412 56 HA SER 9 HA SER 9 0.835 13.203 0.340 57 HB2 SER 9 HB2 SER 9 2.023 12.765 2.554 58 HB3 SER 9 HB1 SER 9 0.511 13.660 2.661 59 HG SER 9 HG SER 9 -0.520 11.693 3.186 60 H ILE 10 H ILE 10 2.367 10.949 2.290 61 HA ILE 10 HA ILE 10 2.915 9.159 -0.036 62 HB ILE 10 HB ILE 10 5.086 9.749 1.933 63 HG12 ILE 10 HG12 ILE 10 4.053 11.969 1.250 64 HG13 ILE 10 HG11 ILE 10 5.747 11.774 0.802 65 HG21 ILE 10 HG21 ILE 10 4.736 8.653 -0.769 66 HG22 ILE 10 HG22 ILE 10 6.030 8.376 0.397 67 HG23 ILE 10 HG23 ILE 10 6.075 9.794 -0.650 68 HD11 ILE 10 HD11 ILE 10 5.228 11.382 -1.467 69 HD12 ILE 10 HD12 ILE 10 4.120 12.674 -1.004 70 HD13 ILE 10 HD13 ILE 10 3.542 11.011 -1.107 71 H CYS 11 H CYS 11 4.552 7.333 1.165 72 HA CYS 11 HA CYS 11 3.640 6.528 3.788 73 HB2 CYS 11 HB2 CYS 11 2.057 5.729 1.485 74 HB3 CYS 11 HB1 CYS 11 2.711 4.324 2.328 75 H SER 12 H SER 12 4.544 4.380 4.382 76 HA SER 12 HA SER 12 7.094 3.905 2.931 77 HB2 SER 12 HB2 SER 12 7.149 2.295 5.142 78 HB3 SER 12 HB1 SER 12 7.761 3.946 5.104 79 HG SER 12 HG SER 12 6.106 3.314 6.768 80 H LEU 13 H LEU 13 7.142 2.212 1.503 81 HA LEU 13 HA LEU 13 4.993 0.444 1.103 82 HB2 LEU 13 HB2 LEU 13 6.433 -0.884 -0.305 83 HB3 LEU 13 HB1 LEU 13 6.836 0.806 -0.548 84 HG LEU 13 HG LEU 13 8.884 -0.472 -0.421 85 HD11 LEU 13 HD11 LEU 13 8.768 1.774 0.708 86 HD12 LEU 13 HD12 LEU 13 10.042 0.713 1.306 87 HD13 LEU 13 HD13 LEU 13 8.561 0.923 2.236 88 HD21 LEU 13 HD21 LEU 13 7.532 -2.149 1.277 89 HD22 LEU 13 HD22 LEU 13 8.622 -1.314 2.383 90 HD23 LEU 13 HD23 LEU 13 9.272 -2.189 0.998 91 H TYR 14 H TYR 14 7.420 0.378 3.545 92 HA TYR 14 HA TYR 14 7.073 -2.460 4.129 93 HB2 TYR 14 HB2 TYR 14 8.395 -2.020 6.151 94 HB3 TYR 14 HB1 TYR 14 9.177 -1.307 4.744 95 HD1 TYR 14 HD1 TYR 14 6.683 -0.416 7.410 96 HD2 TYR 14 HD2 TYR 14 9.886 0.906 4.867 97 HE1 TYR 14 HE1 TYR 14 6.659 1.798 8.528 98 HE2 TYR 14 HE2 TYR 14 9.860 3.122 5.985 99 HH TYR 14 HH TYR 14 9.133 4.197 7.912 100 H GLN 15 H GLN 15 5.652 0.557 5.098 101 HA GLN 15 HA GLN 15 4.135 -0.584 7.290 102 HB2 GLN 15 HB2 GLN 15 3.339 1.579 7.597 103 HB3 GLN 15 HB1 GLN 15 4.861 1.905 6.786 104 HG2 GLN 15 HG2 GLN 15 3.570 3.141 5.379 105 HG3 GLN 15 HG1 GLN 15 3.208 1.579 4.650 106 HE21 GLN 15 HE21 GLN 15 1.793 4.292 6.190 107 HE22 GLN 15 HE22 GLN 15 0.256 3.625 6.465 108 H LEU 16 H LEU 16 3.830 -0.272 3.857 109 HA LEU 16 HA LEU 16 0.970 -0.673 3.679 110 HB2 LEU 16 HB2 LEU 16 3.294 -0.801 1.788 111 HB3 LEU 16 HB1 LEU 16 1.768 -1.529 1.295 112 HG LEU 16 HG LEU 16 2.153 0.929 0.663 113 HD11 LEU 16 HD11 LEU 16 -0.046 0.425 0.310 114 HD12 LEU 16 HD12 LEU 16 -0.297 1.404 1.755 115 HD13 LEU 16 HD13 LEU 16 -0.219 -0.353 1.883 116 HD21 LEU 16 HD21 LEU 16 3.057 1.725 2.770 117 HD22 LEU 16 HD22 LEU 16 1.610 1.197 3.630 118 HD23 LEU 16 HD23 LEU 16 1.515 2.530 2.480 119 H GLU 17 H GLU 17 3.779 -2.776 3.882 120 HA GLU 17 HA GLU 17 2.548 -5.212 3.068 121 HB2 GLU 17 HB2 GLU 17 4.405 -5.317 5.402 122 HB3 GLU 17 HB1 GLU 17 4.400 -6.287 3.928 123 HG2 GLU 17 HG2 GLU 17 4.937 -3.832 2.902 124 HG3 GLU 17 HG1 GLU 17 5.710 -3.698 4.481 125 H ASN 18 H ASN 18 2.111 -3.204 5.801 126 HA ASN 18 HA ASN 18 1.135 -5.053 7.727 127 HB2 ASN 18 HB2 ASN 18 1.556 -2.490 7.930 128 HB3 ASN 18 HB1 ASN 18 -0.099 -2.330 7.339 129 HD21 ASN 18 HD21 ASN 18 -0.313 -1.374 9.676 130 HD22 ASN 18 HD22 ASN 18 -0.691 -2.477 10.909 131 H TYR 19 H TYR 19 -0.180 -4.057 4.716 132 HA TYR 19 HA TYR 19 -2.898 -5.007 5.460 133 HB2 TYR 19 HB2 TYR 19 -2.126 -3.934 2.755 134 HB3 TYR 19 HB1 TYR 19 -3.698 -3.893 3.554 135 HD1 TYR 19 HD2 TYR 19 -2.901 -2.970 6.275 136 HD2 TYR 19 HD1 TYR 19 -1.649 -1.640 2.384 137 HE1 TYR 19 HE2 TYR 19 -2.369 -0.735 7.211 138 HE2 TYR 19 HE1 TYR 19 -1.118 0.596 3.320 139 HH TYR 19 HH TYR 19 -1.839 1.981 5.298 140 H CYS 20 H CYS 20 -0.179 -6.495 4.659 141 HA CYS 20 HA CYS 20 -1.050 -8.091 2.378 142 HB2 CYS 20 HB2 CYS 20 1.266 -8.323 4.302 143 HB3 CYS 20 HB1 CYS 20 0.979 -9.490 3.011 144 H ASN 21 H ASN 21 0.225 -9.715 5.183 145 HA ASN 21 HA ASN 21 -1.949 -11.648 5.111 146 HB2 ASN 21 HB2 ASN 21 0.614 -11.323 6.579 147 HB3 ASN 21 HB1 ASN 21 -0.639 -12.255 7.400 148 HD21 ASN 21 HD21 ASN 21 -1.729 -13.986 5.886 149 HD22 ASN 21 HD22 ASN 21 -0.687 -14.827 4.843 150 H1 PHE 1 HT1 PHE 1 11.410 1.386 -1.653 151 H2 PHE 1 HT2 PHE 1 12.085 2.184 -2.993 152 H3 PHE 1 HT3 PHE 1 11.154 0.779 -3.216 153 HA PHE 1 HA PHE 1 9.621 2.366 -3.761 154 HB2 PHE 1 HB2 PHE 1 9.236 1.021 -1.419 155 HB3 PHE 1 HB1 PHE 1 9.033 2.688 -0.888 156 HD1 PHE 1 HD1 PHE 1 7.937 0.284 -3.545 157 HD2 PHE 1 HD2 PHE 1 7.019 3.825 -1.288 158 HE1 PHE 1 HE1 PHE 1 5.674 0.349 -4.562 159 HE2 PHE 1 HE2 PHE 1 4.758 3.888 -2.305 160 HZ PHE 1 HZ PHE 1 4.085 2.151 -3.942 161 H VAL 2 H VAL 2 9.772 4.472 -4.343 162 HA VAL 2 HA VAL 2 11.398 6.334 -2.773 163 HB VAL 2 HB VAL 2 10.581 7.969 -4.579 164 HG11 VAL 2 HG11 VAL 2 12.580 7.379 -5.428 165 HG12 VAL 2 HG12 VAL 2 11.797 6.045 -6.274 166 HG13 VAL 2 HG13 VAL 2 12.466 5.794 -4.662 167 HG21 VAL 2 HG21 VAL 2 9.253 7.207 -6.312 168 HG22 VAL 2 HG22 VAL 2 8.614 6.213 -5.003 169 HG23 VAL 2 HG23 VAL 2 9.792 5.538 -6.129 170 H ASN 3 H ASN 3 10.341 8.627 -2.447 171 HA ASN 3 HA ASN 3 7.794 8.159 -0.980 172 HB2 ASN 3 HB2 ASN 3 9.818 10.415 -0.851 173 HB3 ASN 3 HB1 ASN 3 8.326 10.368 0.088 174 HD21 ASN 3 HD21 ASN 3 8.116 7.901 1.121 175 HD22 ASN 3 HD22 ASN 3 9.501 7.436 1.985 176 H GLN 4 H GLN 4 6.108 8.476 -2.402 177 HA GLN 4 HA GLN 4 5.717 11.165 -3.470 178 HB2 GLN 4 HB2 GLN 4 5.303 10.181 -5.821 179 HB3 GLN 4 HB1 GLN 4 6.980 10.412 -5.327 180 HG2 GLN 4 HG2 GLN 4 7.132 8.051 -4.666 181 HG3 GLN 4 HG1 GLN 4 5.441 7.808 -5.108 182 HE21 GLN 4 HE21 GLN 4 6.676 6.128 -6.594 183 HE22 GLN 4 HE22 GLN 4 7.124 6.696 -8.129 184 H HIS 5 H HIS 5 3.524 11.387 -4.368 185 HA HIS 5 HA HIS 5 1.575 9.918 -2.849 186 HB2 HIS 5 HB2 HIS 5 0.964 11.488 -5.353 187 HB3 HIS 5 HB1 HIS 5 -0.051 11.266 -3.928 188 HD2 HIS 5 HD2 HIS 5 3.049 13.407 -5.050 189 HE1 HIS 5 HE1 HIS 5 1.708 14.828 -1.302 190 HE2 HIS 5 HE2 HIS 5 3.312 15.255 -3.238 191 H LEU 6 H LEU 6 0.343 8.144 -3.434 192 HA LEU 6 HA LEU 6 0.384 7.216 -6.225 193 HB2 LEU 6 HB2 LEU 6 1.130 4.946 -5.616 194 HB3 LEU 6 HB1 LEU 6 2.375 6.139 -5.290 195 HG LEU 6 HG LEU 6 2.285 4.581 -3.442 196 HD11 LEU 6 HD11 LEU 6 0.808 6.849 -2.209 197 HD12 LEU 6 HD12 LEU 6 2.285 7.231 -3.093 198 HD13 LEU 6 HD13 LEU 6 2.336 6.106 -1.738 199 HD21 LEU 6 HD21 LEU 6 0.394 3.696 -2.582 200 HD22 LEU 6 HD22 LEU 6 -0.396 4.354 -4.012 201 HD23 LEU 6 HD23 LEU 6 -0.409 5.261 -2.498 202 H CYS 7 H CYS 7 -1.353 5.767 -6.697 203 HA CYS 7 HA CYS 7 -3.159 4.971 -4.513 204 HB2 CYS 7 HB2 CYS 7 -4.002 6.962 -6.640 205 HB3 CYS 7 HB1 CYS 7 -5.119 6.125 -5.565 206 H GLY 8 H GLY 8 -5.255 4.021 -5.648 207 HA2 GLY 8 HA2 GLY 8 -6.028 2.193 -6.895 208 HA3 GLY 8 HA1 GLY 8 -5.366 3.090 -8.257 209 H SER 9 H SER 9 -4.283 1.637 -9.459 210 HA SER 9 HA SER 9 -3.121 -0.773 -8.579 211 HB2 SER 9 HB2 SER 9 -1.943 0.755 -10.882 212 HB3 SER 9 HB1 SER 9 -2.227 -0.978 -10.729 213 HG SER 9 HG SER 9 -4.395 -0.632 -11.003 214 H ASP 10 H ASP 10 -2.007 2.441 -8.148 215 HA ASP 10 HA ASP 10 0.812 1.831 -8.017 216 HB2 ASP 10 HB2 ASP 10 -0.526 4.094 -6.548 217 HB3 ASP 10 HB1 ASP 10 1.102 4.044 -7.228 218 H LEU 11 H LEU 11 -1.725 2.141 -5.557 219 HA LEU 11 HA LEU 11 -0.050 1.641 -3.306 220 HB2 LEU 11 HB2 LEU 11 -2.907 0.680 -3.598 221 HB3 LEU 11 HB1 LEU 11 -2.057 1.056 -2.101 222 HG LEU 11 HG LEU 11 -2.003 3.306 -3.945 223 HD11 LEU 11 HD11 LEU 11 -4.700 2.249 -3.041 224 HD12 LEU 11 HD12 LEU 11 -4.148 2.393 -4.708 225 HD13 LEU 11 HD13 LEU 11 -4.425 3.843 -3.743 226 HD21 LEU 11 HD21 LEU 11 -2.702 2.696 -1.099 227 HD22 LEU 11 HD22 LEU 11 -3.268 4.219 -1.783 228 HD23 LEU 11 HD23 LEU 11 -1.543 3.858 -1.738 229 H VAL 12 H VAL 12 -1.525 -0.505 -5.668 230 HA VAL 12 HA VAL 12 -0.654 -2.878 -4.182 231 HB VAL 12 HB VAL 12 -1.174 -4.105 -6.304 232 HG11 VAL 12 HG11 VAL 12 -3.606 -2.518 -5.709 233 HG12 VAL 12 HG12 VAL 12 -2.800 -3.262 -4.327 234 HG13 VAL 12 HG13 VAL 12 -3.360 -4.264 -5.667 235 HG21 VAL 12 HG21 VAL 12 -2.073 -1.360 -7.181 236 HG22 VAL 12 HG22 VAL 12 -2.459 -2.858 -8.024 237 HG23 VAL 12 HG23 VAL 12 -0.783 -2.324 -7.896 238 H GLU 13 H GLU 13 0.470 -0.978 -6.971 239 HA GLU 13 HA GLU 13 2.569 -2.551 -7.871 240 HB2 GLU 13 HB2 GLU 13 2.377 -0.454 -8.947 241 HB3 GLU 13 HB1 GLU 13 2.362 0.425 -7.419 242 HG2 GLU 13 HG2 GLU 13 4.624 0.529 -7.327 243 HG3 GLU 13 HG1 GLU 13 4.806 -1.150 -7.839 244 H ALA 14 H ALA 14 2.187 -0.858 -4.881 245 HA ALA 14 HA ALA 14 4.889 -1.370 -3.895 246 HB1 ALA 14 HB1 ALA 14 4.305 0.218 -2.397 247 HB2 ALA 14 HB2 ALA 14 2.901 -0.715 -1.885 248 HB3 ALA 14 HB3 ALA 14 2.780 0.373 -3.267 249 H LEU 15 H LEU 15 1.806 -2.118 -2.364 250 HA LEU 15 HA LEU 15 2.575 -4.276 -0.792 251 HB2 LEU 15 HB2 LEU 15 0.049 -3.392 -2.052 252 HB3 LEU 15 HB1 LEU 15 0.096 -5.114 -1.669 253 HG LEU 15 HG LEU 15 1.157 -3.369 0.461 254 HD11 LEU 15 HD11 LEU 15 -1.385 -2.752 -0.799 255 HD12 LEU 15 HD12 LEU 15 -0.555 -1.902 0.504 256 HD13 LEU 15 HD13 LEU 15 -1.620 -3.258 0.875 257 HD21 LEU 15 HD21 LEU 15 -1.098 -5.336 0.714 258 HD22 LEU 15 HD22 LEU 15 0.224 -5.006 1.835 259 HD23 LEU 15 HD23 LEU 15 0.524 -5.935 0.366 260 H TYR 16 H TYR 16 2.071 -4.119 -4.163 261 HA TYR 16 HA TYR 16 1.771 -6.727 -5.048 262 HB2 TYR 16 HB2 TYR 16 1.691 -5.042 -6.695 263 HB3 TYR 16 HB1 TYR 16 3.200 -4.316 -6.155 264 HD1 TYR 16 HD1 TYR 16 2.189 -7.789 -7.154 265 HD2 TYR 16 HD2 TYR 16 4.838 -4.466 -7.756 266 HE1 TYR 16 HE1 TYR 16 3.456 -9.107 -8.838 267 HE2 TYR 16 HE2 TYR 16 6.109 -5.775 -9.440 268 HH TYR 16 HH TYR 16 4.994 -8.955 -10.512 269 H LEU 17 H LEU 17 4.910 -5.164 -5.394 270 HA LEU 17 HA LEU 17 6.199 -7.769 -5.087 271 HB2 LEU 17 HB2 LEU 17 8.085 -6.823 -6.071 272 HB3 LEU 17 HB1 LEU 17 6.733 -6.013 -6.856 273 HG LEU 17 HG LEU 17 8.349 -4.946 -4.550 274 HD11 LEU 17 HD11 LEU 17 8.047 -3.829 -7.338 275 HD12 LEU 17 HD12 LEU 17 9.320 -4.982 -6.934 276 HD13 LEU 17 HD13 LEU 17 9.265 -3.411 -6.133 277 HD21 LEU 17 HD21 LEU 17 7.031 -2.847 -5.016 278 HD22 LEU 17 HD22 LEU 17 6.077 -4.167 -4.335 279 HD23 LEU 17 HD23 LEU 17 6.000 -3.819 -6.062 280 H VAL 18 H VAL 18 5.492 -5.233 -2.916 281 HA VAL 18 HA VAL 18 7.878 -5.431 -1.294 282 HB VAL 18 HB VAL 18 6.642 -4.321 0.435 283 HG11 VAL 18 HG11 VAL 18 6.266 -3.481 -2.358 284 HG12 VAL 18 HG12 VAL 18 6.849 -2.560 -0.974 285 HG13 VAL 18 HG13 VAL 18 5.116 -2.765 -1.228 286 HG21 VAL 18 HG21 VAL 18 4.153 -4.102 0.275 287 HG22 VAL 18 HG22 VAL 18 4.695 -5.764 0.515 288 HG23 VAL 18 HG23 VAL 18 4.185 -5.225 -1.085 289 H CYS 19 H CYS 19 4.755 -7.037 -1.307 290 HA CYS 19 HA CYS 19 5.721 -8.998 0.712 291 HB2 CYS 19 HB2 CYS 19 3.021 -8.188 -0.329 292 HB3 CYS 19 HB1 CYS 19 3.226 -9.787 0.383 293 H GLY 20 H GLY 20 3.894 -9.048 -2.368 294 HA2 GLY 20 HA2 GLY 20 4.295 -10.396 -4.274 295 HA3 GLY 20 HA1 GLY 20 5.660 -11.129 -3.434 296 H GLU 21 H GLU 21 2.426 -11.561 -4.381 297 HA GLU 21 HA GLU 21 0.799 -13.181 -3.829 298 HB2 GLU 21 HB2 GLU 21 2.911 -14.303 -4.997 299 HB3 GLU 21 HB1 GLU 21 3.037 -15.117 -3.440 300 HG2 GLU 21 HG2 GLU 21 1.457 -16.556 -4.155 301 HG3 GLU 21 HG1 GLU 21 0.309 -15.218 -4.086 302 H ARG 22 H ARG 22 2.020 -11.737 -1.486 303 HA ARG 22 HA ARG 22 1.867 -13.874 0.582 304 HB2 ARG 22 HB2 ARG 22 3.619 -11.794 0.367 305 HB3 ARG 22 HB1 ARG 22 2.395 -11.086 1.423 306 HG2 ARG 22 HG2 ARG 22 2.738 -12.657 3.108 307 HG3 ARG 22 HG1 ARG 22 3.386 -13.861 1.992 308 HD2 ARG 22 HD2 ARG 22 5.420 -13.204 2.746 309 HD3 ARG 22 HD1 ARG 22 5.183 -11.785 1.725 310 HE ARG 22 HE ARG 22 4.069 -10.802 3.880 311 HH11 ARG 22 HH21 ARG 22 7.171 -10.927 3.542 312 HH12 ARG 22 HH22 ARG 22 7.623 -11.393 5.147 313 HH21 ARG 22 HH11 ARG 22 4.416 -12.341 6.064 314 HH22 ARG 22 HH12 ARG 22 6.065 -12.195 6.574 315 H GLY 23 H GLY 23 -0.450 -12.682 -0.956 316 HA2 GLY 23 HA2 GLY 23 -2.710 -12.360 -0.326 317 HA3 GLY 23 HA1 GLY 23 -2.200 -12.314 1.362 318 H ALA 24 H ALA 24 -2.746 -10.400 -1.513 319 HA ALA 24 HA ALA 24 -2.556 -7.956 0.187 320 HB1 ALA 24 HB1 ALA 24 -1.046 -8.593 -2.279 321 HB2 ALA 24 HB2 ALA 24 -0.650 -7.474 -0.975 322 HB3 ALA 24 HB3 ALA 24 -1.780 -6.990 -2.241 323 H PHE 25 H PHE 25 -4.720 -7.446 0.266 324 HA PHE 25 HA PHE 25 -6.017 -6.659 -2.241 325 HB2 PHE 25 HB2 PHE 25 -7.996 -8.078 -1.917 326 HB3 PHE 25 HB1 PHE 25 -6.553 -9.077 -2.094 327 HD1 PHE 25 HD2 PHE 25 -5.311 -9.711 0.130 328 HD2 PHE 25 HD1 PHE 25 -9.400 -8.403 -0.071 329 HE1 PHE 25 HE2 PHE 25 -5.750 -10.740 2.345 330 HE2 PHE 25 HE1 PHE 25 -9.838 -9.433 2.144 331 HZ PHE 25 HZ PHE 25 -8.013 -10.601 3.352 332 H TYR 26 H TYR 26 -6.314 -4.583 -1.447 333 HA TYR 26 HA TYR 26 -7.431 -4.191 1.253 334 HB2 TYR 26 HB2 TYR 26 -7.302 -1.743 0.576 335 HB3 TYR 26 HB1 TYR 26 -5.759 -2.596 0.594 336 HD1 TYR 26 HD1 TYR 26 -8.615 -1.899 -1.745 337 HD2 TYR 26 HD2 TYR 26 -4.374 -2.410 -1.271 338 HE1 TYR 26 HE1 TYR 26 -8.280 -1.354 -4.143 339 HE2 TYR 26 HE2 TYR 26 -4.040 -1.864 -3.668 340 HH TYR 26 HH TYR 26 -6.730 -0.799 -5.702 341 H THR 27 H THR 27 -8.657 -4.800 -1.822 342 HA THR 27 HA THR 27 -11.096 -3.169 -1.451 343 HB THR 27 HB THR 27 -10.174 -3.340 -3.715 344 HG1 THR 27 HG1 THR 27 -12.422 -3.242 -3.536 345 HG21 THR 27 HG21 THR 27 -10.861 -6.135 -4.173 346 HG22 THR 27 HG22 THR 27 -9.594 -5.960 -2.959 347 HG23 THR 27 HG23 THR 27 -9.376 -5.269 -4.568 348 H LYS 28 H LYS 28 -11.610 -4.414 0.583 349 HA LYS 28 HA LYS 28 -12.459 -7.190 0.187 350 HB2 LYS 28 HB2 LYS 28 -12.798 -7.299 2.527 351 HB3 LYS 28 HB1 LYS 28 -11.366 -6.299 2.313 352 HG2 LYS 28 HG2 LYS 28 -12.486 -4.335 2.888 353 HG3 LYS 28 HG1 LYS 28 -14.067 -4.990 2.468 354 HD2 LYS 28 HD2 LYS 28 -12.974 -6.644 4.513 355 HD3 LYS 28 HD1 LYS 28 -12.787 -4.967 5.026 356 HE2 LYS 28 HE2 LYS 28 -15.394 -5.950 3.876 357 HE3 LYS 28 HE1 LYS 28 -15.020 -6.161 5.587 358 HZ1 LYS 28 HZ1 LYS 28 -14.478 -3.517 4.587 359 HZ2 LYS 28 HZ2 LYS 28 -15.301 -4.000 5.992 360 HZ3 LYS 28 HZ3 LYS 28 -16.115 -3.949 4.502 361 HA PRO 29 HA PRO 29 -16.714 -5.079 0.747 362 HB2 PRO 29 HB2 PRO 29 -16.905 -2.475 -0.111 363 HB3 PRO 29 HB1 PRO 29 -16.555 -2.930 1.566 364 HG2 PRO 29 HG2 PRO 29 -14.719 -1.821 -0.496 365 HG3 PRO 29 HG1 PRO 29 -14.599 -1.747 1.268 366 HD2 PRO 29 HD2 PRO 29 -13.163 -3.497 -0.451 367 HD3 PRO 29 HD1 PRO 29 -13.230 -3.579 1.320 368 H THR 30 H THR 30 -18.264 -3.833 -1.074 369 HA THR 30 HA THR 30 -19.089 -4.018 -3.263 370 HB THR 30 HB THR 30 -17.665 -3.271 -4.949 371 HG1 THR 30 HG1 THR 30 -15.249 -3.722 -4.443 372 HG21 THR 30 HG21 THR 30 -16.182 -2.552 -2.405 373 HG22 THR 30 HG22 THR 30 -17.590 -1.702 -3.043 374 HG23 THR 30 HG23 THR 30 -16.071 -1.691 -3.940 Start of MODEL 11 1 H1 GLY 1 HT1 GLY 1 -9.871 5.826 5.400 2 H2 GLY 1 HT2 GLY 1 -10.928 4.497 5.466 3 H3 GLY 1 HT3 GLY 1 -11.137 5.691 4.276 4 HA2 GLY 1 HA1 GLY 1 -9.822 3.463 3.780 5 HA3 GLY 1 HA2 GLY 1 -9.478 4.977 2.888 6 H ILE 2 H ILE 2 -7.885 2.869 2.699 7 HA ILE 2 HA ILE 2 -6.374 2.269 5.191 8 HB ILE 2 HB ILE 2 -6.989 0.275 4.064 9 HG12 ILE 2 HG12 ILE 2 -4.480 0.637 4.672 10 HG13 ILE 2 HG11 ILE 2 -4.908 -0.743 3.665 11 HG21 ILE 2 HG21 ILE 2 -6.366 1.875 1.621 12 HG22 ILE 2 HG22 ILE 2 -7.731 0.808 1.948 13 HG23 ILE 2 HG23 ILE 2 -6.158 0.126 1.536 14 HD11 ILE 2 HD11 ILE 2 -3.654 0.034 1.961 15 HD12 ILE 2 HD12 ILE 2 -3.058 1.285 3.051 16 HD13 ILE 2 HD13 ILE 2 -4.453 1.606 2.025 17 H VAL 3 H VAL 3 -6.066 3.784 2.041 18 HA VAL 3 HA VAL 3 -3.186 4.343 2.605 19 HB VAL 3 HB VAL 3 -3.135 5.096 0.206 20 HG11 VAL 3 HG11 VAL 3 -2.570 2.985 -0.349 21 HG12 VAL 3 HG12 VAL 3 -4.193 2.374 -0.022 22 HG13 VAL 3 HG13 VAL 3 -3.039 2.572 1.299 23 HG21 VAL 3 HG21 VAL 3 -5.934 3.919 0.218 24 HG22 VAL 3 HG22 VAL 3 -5.046 4.421 -1.217 25 HG23 VAL 3 HG23 VAL 3 -5.533 5.620 -0.020 26 H GLU 4 H GLU 4 -5.641 5.633 3.757 27 HA GLU 4 HA GLU 4 -6.297 8.141 2.843 28 HB2 GLU 4 HB2 GLU 4 -6.519 8.860 5.170 29 HB3 GLU 4 HB1 GLU 4 -7.052 7.186 5.019 30 HG2 GLU 4 HG2 GLU 4 -4.437 6.767 5.538 31 HG3 GLU 4 HG1 GLU 4 -4.660 8.292 6.393 32 H GLN 5 H GLN 5 -3.145 7.116 3.990 33 HA GLN 5 HA GLN 5 -2.184 9.924 3.758 34 HB2 GLN 5 HB2 GLN 5 -0.160 9.121 4.950 35 HB3 GLN 5 HB1 GLN 5 -1.630 8.833 5.881 36 HG2 GLN 5 HG2 GLN 5 -1.672 6.495 4.896 37 HG3 GLN 5 HG1 GLN 5 -0.064 6.820 4.248 38 HE21 GLN 5 HE21 GLN 5 -1.771 5.791 7.053 39 HE22 GLN 5 HE22 GLN 5 -0.462 5.821 8.134 40 H CYS 6 H CYS 6 -1.183 6.603 2.790 41 HA CYS 6 HA CYS 6 0.911 7.406 1.060 42 HB2 CYS 6 HB2 CYS 6 -0.995 5.068 0.718 43 HB3 CYS 6 HB1 CYS 6 0.560 5.249 -0.093 44 H CYS 7 H CYS 7 -2.567 7.276 0.588 45 HA CYS 7 HA CYS 7 -2.400 7.962 -2.247 46 HB2 CYS 7 HB2 CYS 7 -4.489 7.254 -0.319 47 HB3 CYS 7 HB1 CYS 7 -4.979 8.500 -1.460 48 H THR 8 H THR 8 -1.686 9.725 0.406 49 HA THR 8 HA THR 8 -2.860 12.226 -0.744 50 HB THR 8 HB THR 8 -2.547 13.191 1.549 51 HG1 THR 8 HG1 THR 8 -1.691 12.015 3.076 52 HG21 THR 8 HG21 THR 8 -4.252 10.702 1.281 53 HG22 THR 8 HG22 THR 8 -4.738 12.363 0.940 54 HG23 THR 8 HG23 THR 8 -4.406 11.864 2.598 55 H SER 9 H SER 9 -0.126 11.549 1.467 56 HA SER 9 HA SER 9 1.549 13.250 -0.329 57 HB2 SER 9 HB2 SER 9 3.023 13.396 1.781 58 HB3 SER 9 HB1 SER 9 1.491 14.265 1.810 59 HG SER 9 HG SER 9 0.624 12.690 3.069 60 H ILE 10 H ILE 10 3.192 11.385 2.068 61 HA ILE 10 HA ILE 10 3.762 9.194 0.155 62 HB ILE 10 HB ILE 10 6.096 10.550 1.466 63 HG12 ILE 10 HG12 ILE 10 4.677 12.283 0.229 64 HG13 ILE 10 HG11 ILE 10 6.342 12.115 -0.329 65 HG21 ILE 10 HG21 ILE 10 5.568 8.542 -0.604 66 HG22 ILE 10 HG22 ILE 10 7.024 8.813 0.353 67 HG23 ILE 10 HG23 ILE 10 6.741 9.759 -1.107 68 HD11 ILE 10 HD11 ILE 10 4.063 11.933 -1.919 69 HD12 ILE 10 HD12 ILE 10 4.544 10.254 -1.679 70 HD13 ILE 10 HD13 ILE 10 5.685 11.407 -2.370 71 H CYS 11 H CYS 11 4.478 7.289 1.207 72 HA CYS 11 HA CYS 11 4.744 7.444 4.175 73 HB2 CYS 11 HB2 CYS 11 3.400 5.299 4.282 74 HB3 CYS 11 HB1 CYS 11 2.471 6.726 3.824 75 H SER 12 H SER 12 5.211 4.827 4.749 76 HA SER 12 HA SER 12 7.726 4.311 3.246 77 HB2 SER 12 HB2 SER 12 7.806 2.564 5.309 78 HB3 SER 12 HB1 SER 12 8.382 4.224 5.434 79 HG SER 12 HG SER 12 6.909 3.698 7.104 80 H LEU 13 H LEU 13 8.062 2.344 2.184 81 HA LEU 13 HA LEU 13 5.744 0.925 1.291 82 HB2 LEU 13 HB2 LEU 13 7.234 -0.461 0.050 83 HB3 LEU 13 HB1 LEU 13 7.972 1.137 0.074 84 HG LEU 13 HG LEU 13 8.668 -0.981 2.116 85 HD11 LEU 13 HD11 LEU 13 9.088 -1.616 -0.365 86 HD12 LEU 13 HD12 LEU 13 10.438 -1.743 0.762 87 HD13 LEU 13 HD13 LEU 13 10.323 -0.357 -0.323 88 HD21 LEU 13 HD21 LEU 13 9.639 1.733 1.337 89 HD22 LEU 13 HD22 LEU 13 10.851 0.556 1.840 90 HD23 LEU 13 HD23 LEU 13 9.542 0.995 2.935 91 H TYR 14 H TYR 14 8.110 0.208 3.817 92 HA TYR 14 HA TYR 14 7.175 -2.453 4.308 93 HB2 TYR 14 HB2 TYR 14 8.158 -2.082 6.639 94 HB3 TYR 14 HB1 TYR 14 9.272 -1.909 5.288 95 HD1 TYR 14 HD1 TYR 14 7.186 -0.032 7.729 96 HD2 TYR 14 HD2 TYR 14 10.329 0.178 4.804 97 HE1 TYR 14 HE1 TYR 14 7.735 2.267 8.483 98 HE2 TYR 14 HE2 TYR 14 10.876 2.477 5.557 99 HH TYR 14 HH TYR 14 10.327 4.148 6.907 100 H GLN 15 H GLN 15 5.965 0.675 5.130 101 HA GLN 15 HA GLN 15 4.163 -0.242 7.201 102 HB2 GLN 15 HB2 GLN 15 3.595 1.974 7.398 103 HB3 GLN 15 HB1 GLN 15 5.105 2.186 6.528 104 HG2 GLN 15 HG2 GLN 15 3.777 3.441 5.145 105 HG3 GLN 15 HG1 GLN 15 3.434 1.865 4.433 106 HE21 GLN 15 HE21 GLN 15 1.898 1.082 6.965 107 HE22 GLN 15 HE22 GLN 15 0.404 1.874 6.811 108 H LEU 16 H LEU 16 4.136 -0.019 3.732 109 HA LEU 16 HA LEU 16 1.308 -0.232 3.308 110 HB2 LEU 16 HB2 LEU 16 3.771 -0.735 1.686 111 HB3 LEU 16 HB1 LEU 16 2.253 -1.416 1.109 112 HG LEU 16 HG LEU 16 2.900 0.952 0.301 113 HD11 LEU 16 HD11 LEU 16 0.299 -0.053 1.327 114 HD12 LEU 16 HD12 LEU 16 0.743 0.463 -0.300 115 HD13 LEU 16 HD13 LEU 16 0.375 1.666 0.936 116 HD21 LEU 16 HD21 LEU 16 1.822 1.638 3.050 117 HD22 LEU 16 HD22 LEU 16 2.312 2.777 1.796 118 HD23 LEU 16 HD23 LEU 16 3.517 1.762 2.583 119 H GLU 17 H GLU 17 3.846 -2.568 3.970 120 HA GLU 17 HA GLU 17 2.561 -4.964 3.260 121 HB2 GLU 17 HB2 GLU 17 4.705 -5.364 4.024 122 HB3 GLU 17 HB1 GLU 17 4.582 -4.168 5.312 123 HG2 GLU 17 HG2 GLU 17 3.510 -5.642 6.765 124 HG3 GLU 17 HG1 GLU 17 2.902 -6.652 5.453 125 H ASN 18 H ASN 18 1.762 -2.683 5.727 126 HA ASN 18 HA ASN 18 0.353 -4.340 7.555 127 HB2 ASN 18 HB2 ASN 18 0.876 -1.656 7.376 128 HB3 ASN 18 HB1 ASN 18 -0.858 -1.702 7.058 129 HD21 ASN 18 HD21 ASN 18 -1.059 -0.631 9.258 130 HD22 ASN 18 HD22 ASN 18 -1.012 -1.608 10.645 131 H TYR 19 H TYR 19 -0.479 -3.304 4.356 132 HA TYR 19 HA TYR 19 -3.296 -4.179 4.762 133 HB2 TYR 19 HB2 TYR 19 -2.371 -3.109 2.134 134 HB3 TYR 19 HB1 TYR 19 -3.897 -2.856 2.975 135 HD1 TYR 19 HD2 TYR 19 -3.441 -1.729 5.466 136 HD2 TYR 19 HD1 TYR 19 -1.079 -1.186 1.916 137 HE1 TYR 19 HE2 TYR 19 -2.602 0.432 6.352 138 HE2 TYR 19 HE1 TYR 19 -0.241 0.974 2.805 139 HH TYR 19 HH TYR 19 -1.337 2.211 5.967 140 H CYS 20 H CYS 20 -1.880 -6.365 4.935 141 HA CYS 20 HA CYS 20 -2.057 -7.607 2.240 142 HB2 CYS 20 HB2 CYS 20 0.206 -7.580 4.155 143 HB3 CYS 20 HB1 CYS 20 -0.143 -9.129 3.386 144 H ASN 21 H ASN 21 -2.041 -8.145 5.728 145 HA ASN 21 HA ASN 21 -4.110 -10.236 5.352 146 HB2 ASN 21 HB2 ASN 21 -1.365 -10.636 6.473 147 HB3 ASN 21 HB1 ASN 21 -2.704 -11.490 7.241 148 HD21 ASN 21 HD21 ASN 21 -0.604 -12.816 5.709 149 HD22 ASN 21 HD22 ASN 21 -1.339 -13.526 4.353 150 H1 PHE 1 HT1 PHE 1 8.777 1.444 -1.762 151 H2 PHE 1 HT2 PHE 1 10.248 0.804 -2.321 152 H3 PHE 1 HT3 PHE 1 8.779 0.066 -2.749 153 HA PHE 1 HA PHE 1 9.733 1.389 -4.571 154 HB2 PHE 1 HB2 PHE 1 7.579 2.921 -4.726 155 HB3 PHE 1 HB1 PHE 1 7.438 1.167 -4.849 156 HD1 PHE 1 HD2 PHE 1 6.592 -0.171 -2.967 157 HD2 PHE 1 HD1 PHE 1 6.846 4.112 -2.734 158 HE1 PHE 1 HE2 PHE 1 5.122 -0.193 -0.969 159 HE2 PHE 1 HE1 PHE 1 5.376 4.091 -0.735 160 HZ PHE 1 HZ PHE 1 4.513 1.938 0.147 161 H VAL 2 H VAL 2 9.152 3.954 -5.196 162 HA VAL 2 HA VAL 2 11.095 5.437 -3.578 163 HB VAL 2 HB VAL 2 10.640 7.255 -5.267 164 HG11 VAL 2 HG11 VAL 2 12.413 6.164 -6.155 165 HG12 VAL 2 HG12 VAL 2 11.248 5.377 -7.220 166 HG13 VAL 2 HG13 VAL 2 11.751 4.586 -5.726 167 HG21 VAL 2 HG21 VAL 2 8.869 7.116 -6.663 168 HG22 VAL 2 HG22 VAL 2 8.302 5.775 -5.666 169 HG23 VAL 2 HG23 VAL 2 9.270 5.456 -7.106 170 H ASN 3 H ASN 3 10.203 7.998 -3.523 171 HA ASN 3 HA ASN 3 7.817 7.805 -1.739 172 HB2 ASN 3 HB2 ASN 3 10.126 9.752 -1.869 173 HB3 ASN 3 HB1 ASN 3 8.661 10.098 -0.950 174 HD21 ASN 3 HD21 ASN 3 11.361 9.637 0.182 175 HD22 ASN 3 HD22 ASN 3 11.230 8.277 1.188 176 H GLN 4 H GLN 4 6.085 8.143 -3.117 177 HA GLN 4 HA GLN 4 5.748 10.834 -4.185 178 HB2 GLN 4 HB2 GLN 4 5.130 9.761 -6.503 179 HB3 GLN 4 HB1 GLN 4 6.817 10.119 -6.139 180 HG2 GLN 4 HG2 GLN 4 6.926 7.915 -6.937 181 HG3 GLN 4 HG1 GLN 4 6.877 7.681 -5.192 182 HE21 GLN 4 HE21 GLN 4 5.998 5.498 -6.494 183 HE22 GLN 4 HE22 GLN 4 4.304 5.395 -6.512 184 H HIS 5 H HIS 5 3.506 11.033 -5.150 185 HA HIS 5 HA HIS 5 1.585 9.745 -3.423 186 HB2 HIS 5 HB2 HIS 5 0.980 11.235 -5.984 187 HB3 HIS 5 HB1 HIS 5 -0.067 11.041 -4.577 188 HD2 HIS 5 HD2 HIS 5 3.232 13.003 -5.538 189 HE1 HIS 5 HE1 HIS 5 1.572 14.702 -2.040 190 HE2 HIS 5 HE2 HIS 5 3.407 14.930 -3.797 191 H LEU 6 H LEU 6 0.255 7.988 -3.847 192 HA LEU 6 HA LEU 6 0.107 6.899 -6.569 193 HB2 LEU 6 HB2 LEU 6 0.906 4.669 -5.909 194 HB3 LEU 6 HB1 LEU 6 2.166 5.875 -5.727 195 HG LEU 6 HG LEU 6 2.221 4.413 -3.807 196 HD11 LEU 6 HD11 LEU 6 2.229 7.064 -3.569 197 HD12 LEU 6 HD12 LEU 6 2.340 6.007 -2.163 198 HD13 LEU 6 HD13 LEU 6 0.793 6.732 -2.601 199 HD21 LEU 6 HD21 LEU 6 -0.494 4.145 -4.185 200 HD22 LEU 6 HD22 LEU 6 -0.404 5.099 -2.702 201 HD23 LEU 6 HD23 LEU 6 0.407 3.538 -2.798 202 H CYS 7 H CYS 7 -1.663 5.457 -6.844 203 HA CYS 7 HA CYS 7 -3.295 4.698 -4.520 204 HB2 CYS 7 HB2 CYS 7 -4.251 6.736 -6.547 205 HB3 CYS 7 HB1 CYS 7 -5.338 5.849 -5.481 206 H GLY 8 H GLY 8 -5.374 3.592 -5.351 207 HA2 GLY 8 HA2 GLY 8 -6.268 1.793 -6.556 208 HA3 GLY 8 HA1 GLY 8 -5.803 2.728 -7.972 209 H SER 9 H SER 9 -4.781 1.375 -9.336 210 HA SER 9 HA SER 9 -3.534 -1.055 -8.729 211 HB2 SER 9 HB2 SER 9 -3.739 0.669 -11.022 212 HB3 SER 9 HB1 SER 9 -2.087 0.074 -10.893 213 HG SER 9 HG SER 9 -3.560 -1.328 -12.050 214 H ASP 10 H ASP 10 -2.387 2.150 -8.203 215 HA ASP 10 HA ASP 10 0.423 1.396 -8.041 216 HB2 ASP 10 HB2 ASP 10 -0.783 3.819 -6.723 217 HB3 ASP 10 HB1 ASP 10 0.831 3.630 -7.412 218 H LEU 11 H LEU 11 -2.308 1.572 -5.874 219 HA LEU 11 HA LEU 11 -0.918 1.404 -3.392 220 HB2 LEU 11 HB2 LEU 11 -3.655 0.804 -4.349 221 HB3 LEU 11 HB1 LEU 11 -3.144 -0.129 -2.951 222 HG LEU 11 HG LEU 11 -3.093 1.698 -1.569 223 HD11 LEU 11 HD11 LEU 11 -2.011 3.079 -3.965 224 HD12 LEU 11 HD12 LEU 11 -1.481 3.149 -2.284 225 HD13 LEU 11 HD13 LEU 11 -2.875 4.091 -2.807 226 HD21 LEU 11 HD21 LEU 11 -4.733 3.414 -3.223 227 HD22 LEU 11 HD22 LEU 11 -5.190 2.476 -1.801 228 HD23 LEU 11 HD23 LEU 11 -5.231 1.732 -3.399 229 H VAL 12 H VAL 12 -1.753 -1.020 -5.805 230 HA VAL 12 HA VAL 12 -0.707 -3.168 -4.102 231 HB VAL 12 HB VAL 12 -0.828 -4.530 -6.257 232 HG11 VAL 12 HG11 VAL 12 -2.640 -4.000 -4.319 233 HG12 VAL 12 HG12 VAL 12 -2.930 -5.132 -5.639 234 HG13 VAL 12 HG13 VAL 12 -3.544 -3.482 -5.741 235 HG21 VAL 12 HG21 VAL 12 -2.366 -2.090 -7.179 236 HG22 VAL 12 HG22 VAL 12 -2.191 -3.610 -8.056 237 HG23 VAL 12 HG23 VAL 12 -0.786 -2.581 -7.787 238 H GLU 13 H GLU 13 0.400 -1.376 -7.004 239 HA GLU 13 HA GLU 13 2.787 -2.679 -7.533 240 HB2 GLU 13 HB2 GLU 13 2.363 -0.761 -8.858 241 HB3 GLU 13 HB1 GLU 13 2.128 0.265 -7.444 242 HG2 GLU 13 HG2 GLU 13 4.334 0.725 -7.289 243 HG3 GLU 13 HG1 GLU 13 4.776 -0.971 -7.490 244 H ALA 14 H ALA 14 1.896 -0.731 -4.831 245 HA ALA 14 HA ALA 14 4.530 -0.673 -3.586 246 HB1 ALA 14 HB1 ALA 14 1.833 0.387 -3.078 247 HB2 ALA 14 HB2 ALA 14 3.401 1.097 -2.696 248 HB3 ALA 14 HB3 ALA 14 2.687 -0.100 -1.615 249 H LEU 15 H LEU 15 1.429 -2.168 -2.751 250 HA LEU 15 HA LEU 15 2.581 -3.953 -0.777 251 HB2 LEU 15 HB2 LEU 15 -0.109 -3.704 -2.119 252 HB3 LEU 15 HB1 LEU 15 0.243 -5.040 -1.023 253 HG LEU 15 HG LEU 15 1.100 -2.505 0.112 254 HD11 LEU 15 HD11 LEU 15 -1.846 -2.578 0.115 255 HD12 LEU 15 HD12 LEU 15 -1.145 -2.186 -1.456 256 HD13 LEU 15 HD13 LEU 15 -0.755 -1.200 -0.045 257 HD21 LEU 15 HD21 LEU 15 -0.756 -4.769 0.862 258 HD22 LEU 15 HD22 LEU 15 -0.555 -3.358 1.899 259 HD23 LEU 15 HD23 LEU 15 0.829 -4.387 1.535 260 H TYR 16 H TYR 16 2.801 -3.987 -4.059 261 HA TYR 16 HA TYR 16 2.385 -6.857 -4.494 262 HB2 TYR 16 HB2 TYR 16 1.738 -5.806 -6.425 263 HB3 TYR 16 HB1 TYR 16 2.802 -4.434 -6.155 264 HD1 TYR 16 HD1 TYR 16 2.971 -8.084 -6.978 265 HD2 TYR 16 HD2 TYR 16 4.664 -4.172 -7.499 266 HE1 TYR 16 HE1 TYR 16 4.606 -9.010 -8.605 267 HE2 TYR 16 HE2 TYR 16 6.301 -5.092 -9.126 268 HH TYR 16 HH TYR 16 6.317 -7.199 -10.723 269 H LEU 17 H LEU 17 5.101 -4.550 -4.458 270 HA LEU 17 HA LEU 17 6.968 -6.826 -4.760 271 HB2 LEU 17 HB2 LEU 17 8.576 -4.630 -4.415 272 HB3 LEU 17 HB1 LEU 17 8.051 -5.274 -5.961 273 HG LEU 17 HG LEU 17 6.021 -3.772 -5.795 274 HD11 LEU 17 HD11 LEU 17 5.656 -2.612 -3.905 275 HD12 LEU 17 HD12 LEU 17 7.235 -1.840 -4.049 276 HD13 LEU 17 HD13 LEU 17 7.078 -3.372 -3.190 277 HD21 LEU 17 HD21 LEU 17 7.156 -2.220 -7.002 278 HD22 LEU 17 HD22 LEU 17 8.534 -3.295 -6.766 279 HD23 LEU 17 HD23 LEU 17 8.304 -1.908 -5.701 280 H VAL 18 H VAL 18 5.457 -5.162 -2.275 281 HA VAL 18 HA VAL 18 7.673 -5.555 -0.358 282 HB VAL 18 HB VAL 18 6.317 -4.445 1.256 283 HG11 VAL 18 HG11 VAL 18 6.266 -3.349 -1.509 284 HG12 VAL 18 HG12 VAL 18 6.986 -2.676 -0.047 285 HG13 VAL 18 HG13 VAL 18 5.247 -2.547 -0.314 286 HG21 VAL 18 HG21 VAL 18 4.244 -5.632 1.009 287 HG22 VAL 18 HG22 VAL 18 4.038 -5.038 -0.638 288 HG23 VAL 18 HG23 VAL 18 3.895 -3.926 0.723 289 H CYS 19 H CYS 19 4.431 -6.786 -1.011 290 HA CYS 19 HA CYS 19 4.799 -8.922 1.006 291 HB2 CYS 19 HB2 CYS 19 2.511 -7.734 -0.449 292 HB3 CYS 19 HB1 CYS 19 2.409 -9.475 -0.188 293 H GLY 20 H GLY 20 4.089 -8.647 -2.492 294 HA2 GLY 20 HA2 GLY 20 4.567 -10.127 -4.247 295 HA3 GLY 20 HA1 GLY 20 5.884 -10.729 -3.240 296 H GLU 21 H GLU 21 2.820 -11.455 -4.533 297 HA GLU 21 HA GLU 21 1.313 -13.229 -4.154 298 HB2 GLU 21 HB2 GLU 21 3.644 -14.200 -4.955 299 HB3 GLU 21 HB1 GLU 21 3.666 -14.883 -3.330 300 HG2 GLU 21 HG2 GLU 21 1.737 -16.166 -3.701 301 HG3 GLU 21 HG1 GLU 21 1.216 -15.162 -5.054 302 H ARG 22 H ARG 22 2.082 -11.552 -1.759 303 HA ARG 22 HA ARG 22 1.841 -13.566 0.413 304 HB2 ARG 22 HB2 ARG 22 3.284 -11.212 0.243 305 HB3 ARG 22 HB1 ARG 22 1.877 -10.737 1.196 306 HG2 ARG 22 HG2 ARG 22 2.362 -12.232 2.913 307 HG3 ARG 22 HG1 ARG 22 3.285 -13.303 1.856 308 HD2 ARG 22 HD2 ARG 22 4.525 -10.705 1.894 309 HD3 ARG 22 HD1 ARG 22 4.293 -11.265 3.549 310 HE ARG 22 HE ARG 22 6.320 -12.225 1.885 311 HH11 ARG 22 HH21 ARG 22 4.879 -13.102 4.675 312 HH12 ARG 22 HH22 ARG 22 5.035 -14.815 4.479 313 HH21 ARG 22 HH11 ARG 22 5.984 -14.614 1.150 314 HH22 ARG 22 HH12 ARG 22 5.664 -15.671 2.485 315 H GLY 23 H GLY 23 -0.344 -12.690 -1.536 316 HA2 GLY 23 HA2 GLY 23 -2.692 -12.594 -1.279 317 HA3 GLY 23 HA1 GLY 23 -2.461 -12.525 0.468 318 H ALA 24 H ALA 24 -3.749 -10.781 -1.929 319 HA ALA 24 HA ALA 24 -2.872 -8.170 -0.760 320 HB1 ALA 24 HB1 ALA 24 -4.117 -7.476 -3.083 321 HB2 ALA 24 HB2 ALA 24 -3.452 -9.048 -3.529 322 HB3 ALA 24 HB3 ALA 24 -2.383 -7.768 -2.955 323 H PHE 25 H PHE 25 -5.678 -8.684 -2.816 324 HA PHE 25 HA PHE 25 -7.895 -7.964 -2.425 325 HB2 PHE 25 HB2 PHE 25 -8.812 -9.271 -0.342 326 HB3 PHE 25 HB1 PHE 25 -8.287 -10.167 -1.765 327 HD1 PHE 25 HD1 PHE 25 -7.466 -9.234 1.704 328 HD2 PHE 25 HD2 PHE 25 -6.190 -11.426 -1.767 329 HE1 PHE 25 HE1 PHE 25 -5.778 -10.429 3.077 330 HE2 PHE 25 HE2 PHE 25 -4.503 -12.620 -0.394 331 HZ PHE 25 HZ PHE 25 -4.298 -12.121 2.029 332 H TYR 26 H TYR 26 -6.465 -5.858 -1.674 333 HA TYR 26 HA TYR 26 -6.748 -5.190 1.144 334 HB2 TYR 26 HB2 TYR 26 -5.933 -2.998 0.504 335 HB3 TYR 26 HB1 TYR 26 -4.998 -4.210 -0.371 336 HD1 TYR 26 HD2 TYR 26 -5.492 -4.687 -2.773 337 HD2 TYR 26 HD1 TYR 26 -7.396 -1.475 -0.646 338 HE1 TYR 26 HE2 TYR 26 -6.194 -3.677 -4.928 339 HE2 TYR 26 HE1 TYR 26 -8.099 -0.465 -2.801 340 HH TYR 26 HH TYR 26 -7.132 -0.601 -5.296 341 H THR 27 H THR 27 -8.997 -5.484 -1.283 342 HA THR 27 HA THR 27 -10.652 -3.190 -0.385 343 HB THR 27 HB THR 27 -10.434 -3.734 -2.831 344 HG1 THR 27 HG1 THR 27 -12.239 -2.625 -2.236 345 HG21 THR 27 HG21 THR 27 -12.336 -5.984 -2.554 346 HG22 THR 27 HG22 THR 27 -10.681 -6.324 -2.047 347 HG23 THR 27 HG23 THR 27 -11.004 -5.767 -3.689 348 H LYS 28 H LYS 28 -11.898 -3.564 1.382 349 HA LYS 28 HA LYS 28 -13.505 -6.044 1.487 350 HB2 LYS 28 HB2 LYS 28 -12.852 -6.404 3.889 351 HB3 LYS 28 HB1 LYS 28 -11.539 -6.697 2.750 352 HG2 LYS 28 HG2 LYS 28 -11.318 -3.983 3.291 353 HG3 LYS 28 HG1 LYS 28 -11.753 -4.675 4.853 354 HD2 LYS 28 HD2 LYS 28 -9.934 -6.405 4.468 355 HD3 LYS 28 HD1 LYS 28 -9.414 -5.435 3.089 356 HE2 LYS 28 HE2 LYS 28 -8.073 -4.696 4.915 357 HE3 LYS 28 HE1 LYS 28 -9.311 -3.455 4.714 358 HZ1 LYS 28 HZ1 LYS 28 -10.604 -4.898 6.401 359 HZ2 LYS 28 HZ2 LYS 28 -9.381 -3.859 6.960 360 HZ3 LYS 28 HZ3 LYS 28 -9.076 -5.522 6.794 361 HA PRO 29 HA PRO 29 -15.656 -2.201 2.895 362 HB2 PRO 29 HB2 PRO 29 -17.691 -2.376 1.053 363 HB3 PRO 29 HB1 PRO 29 -16.171 -1.513 0.757 364 HG2 PRO 29 HG2 PRO 29 -17.072 -4.147 -0.311 365 HG3 PRO 29 HG1 PRO 29 -15.931 -2.985 -1.007 366 HD2 PRO 29 HD2 PRO 29 -15.244 -5.371 0.353 367 HD3 PRO 29 HD1 PRO 29 -14.135 -4.045 -0.057 368 H THR 30 H THR 30 -18.308 -2.182 3.165 369 HA THR 30 HA THR 30 -20.130 -3.141 4.290 370 HB THR 30 HB THR 30 -20.772 -5.277 3.645 371 HG1 THR 30 HG1 THR 30 -18.128 -6.137 3.260 372 HG21 THR 30 HG21 THR 30 -18.571 -4.929 1.614 373 HG22 THR 30 HG22 THR 30 -19.945 -3.823 1.668 374 HG23 THR 30 HG23 THR 30 -20.207 -5.541 1.371 Start of MODEL 12 1 H1 GLY 1 HT1 GLY 1 -11.191 4.950 5.665 2 H2 GLY 1 HT2 GLY 1 -11.380 5.725 4.166 3 H3 GLY 1 HT3 GLY 1 -9.957 5.950 5.065 4 HA2 GLY 1 HA1 GLY 1 -10.411 3.228 4.461 5 HA3 GLY 1 HA2 GLY 1 -10.267 4.196 2.963 6 H ILE 2 H ILE 2 -8.348 2.731 2.824 7 HA ILE 2 HA ILE 2 -6.643 2.329 5.237 8 HB ILE 2 HB ILE 2 -7.183 0.241 4.249 9 HG12 ILE 2 HG12 ILE 2 -4.667 0.829 4.643 10 HG13 ILE 2 HG11 ILE 2 -5.063 -0.639 3.755 11 HG21 ILE 2 HG21 ILE 2 -6.400 0.175 1.624 12 HG22 ILE 2 HG22 ILE 2 -7.047 1.810 1.759 13 HG23 ILE 2 HG23 ILE 2 -8.059 0.425 2.166 14 HD11 ILE 2 HD11 ILE 2 -3.404 1.441 2.878 15 HD12 ILE 2 HD12 ILE 2 -4.899 1.657 1.972 16 HD13 ILE 2 HD13 ILE 2 -4.037 0.122 1.895 17 H VAL 3 H VAL 3 -6.681 3.685 1.997 18 HA VAL 3 HA VAL 3 -3.797 4.365 2.198 19 HB VAL 3 HB VAL 3 -4.047 5.131 -0.131 20 HG11 VAL 3 HG11 VAL 3 -4.524 2.955 -1.124 21 HG12 VAL 3 HG12 VAL 3 -5.358 2.440 0.339 22 HG13 VAL 3 HG13 VAL 3 -3.619 2.731 0.371 23 HG21 VAL 3 HG21 VAL 3 -6.111 5.897 -0.676 24 HG22 VAL 3 HG22 VAL 3 -6.876 4.989 0.628 25 HG23 VAL 3 HG23 VAL 3 -6.539 4.202 -0.915 26 H GLU 4 H GLU 4 -6.466 5.631 3.463 27 HA GLU 4 HA GLU 4 -6.917 8.221 2.714 28 HB2 GLU 4 HB2 GLU 4 -7.306 8.784 5.047 29 HB3 GLU 4 HB1 GLU 4 -7.851 7.131 4.765 30 HG2 GLU 4 HG2 GLU 4 -5.570 6.358 5.568 31 HG3 GLU 4 HG1 GLU 4 -5.273 8.020 6.079 32 H GLN 5 H GLN 5 -3.895 6.985 4.011 33 HA GLN 5 HA GLN 5 -2.813 9.761 4.007 34 HB2 GLN 5 HB2 GLN 5 -0.789 8.289 5.058 35 HB3 GLN 5 HB1 GLN 5 -2.069 9.005 6.032 36 HG2 GLN 5 HG2 GLN 5 -3.367 6.891 5.839 37 HG3 GLN 5 HG1 GLN 5 -2.030 6.176 4.937 38 HE21 GLN 5 HE21 GLN 5 -0.910 4.801 6.328 39 HE22 GLN 5 HE22 GLN 5 -0.498 5.167 7.934 40 H CYS 6 H CYS 6 -1.573 6.488 3.167 41 HA CYS 6 HA CYS 6 0.563 7.279 1.569 42 HB2 CYS 6 HB2 CYS 6 -1.292 5.000 0.861 43 HB3 CYS 6 HB1 CYS 6 0.428 5.129 0.502 44 H CYS 7 H CYS 7 -2.850 7.465 0.851 45 HA CYS 7 HA CYS 7 -2.338 8.045 -1.994 46 HB2 CYS 7 HB2 CYS 7 -4.675 7.383 -0.344 47 HB3 CYS 7 HB1 CYS 7 -4.984 8.620 -1.555 48 H THR 8 H THR 8 -1.980 9.804 0.752 49 HA THR 8 HA THR 8 -3.117 12.295 -0.433 50 HB THR 8 HB THR 8 -2.699 13.266 1.843 51 HG1 THR 8 HG1 THR 8 -2.176 11.785 3.482 52 HG21 THR 8 HG21 THR 8 -4.445 11.780 2.995 53 HG22 THR 8 HG22 THR 8 -4.421 10.807 1.524 54 HG23 THR 8 HG23 THR 8 -4.912 12.501 1.456 55 H SER 9 H SER 9 -0.262 11.674 1.635 56 HA SER 9 HA SER 9 1.272 13.464 -0.196 57 HB2 SER 9 HB2 SER 9 2.871 13.268 1.965 58 HB3 SER 9 HB1 SER 9 1.580 14.461 1.846 59 HG SER 9 HG SER 9 1.277 13.396 3.754 60 H ILE 10 H ILE 10 2.861 11.344 2.081 61 HA ILE 10 HA ILE 10 3.738 9.617 -0.196 62 HB ILE 10 HB ILE 10 5.557 10.428 2.077 63 HG12 ILE 10 HG12 ILE 10 4.875 12.498 0.976 64 HG13 ILE 10 HG11 ILE 10 6.518 12.097 0.474 65 HG21 ILE 10 HG21 ILE 10 7.191 9.955 0.061 66 HG22 ILE 10 HG22 ILE 10 5.816 9.058 -0.581 67 HG23 ILE 10 HG23 ILE 10 6.512 8.610 0.976 68 HD11 ILE 10 HD11 ILE 10 4.744 10.776 -1.317 69 HD12 ILE 10 HD12 ILE 10 5.850 12.103 -1.673 70 HD13 ILE 10 HD13 ILE 10 4.195 12.445 -1.170 71 H CYS 11 H CYS 11 4.911 7.580 0.806 72 HA CYS 11 HA CYS 11 3.979 6.759 3.443 73 HB2 CYS 11 HB2 CYS 11 2.222 6.358 1.264 74 HB3 CYS 11 HB1 CYS 11 2.928 4.781 1.623 75 H SER 12 H SER 12 4.991 4.795 4.109 76 HA SER 12 HA SER 12 7.313 4.046 2.422 77 HB2 SER 12 HB2 SER 12 7.573 2.608 4.720 78 HB3 SER 12 HB1 SER 12 8.220 4.231 4.497 79 HG SER 12 HG SER 12 6.746 3.745 6.379 80 H LEU 13 H LEU 13 7.368 2.118 1.339 81 HA LEU 13 HA LEU 13 5.069 0.489 1.124 82 HB2 LEU 13 HB2 LEU 13 6.391 -1.067 -0.159 83 HB3 LEU 13 HB1 LEU 13 6.884 0.561 -0.582 84 HG LEU 13 HG LEU 13 8.863 -0.793 -0.369 85 HD11 LEU 13 HD11 LEU 13 10.109 0.408 1.327 86 HD12 LEU 13 HD12 LEU 13 8.620 0.860 2.151 87 HD13 LEU 13 HD13 LEU 13 8.973 1.513 0.554 88 HD21 LEU 13 HD21 LEU 13 8.609 -1.405 2.495 89 HD22 LEU 13 HD22 LEU 13 9.163 -2.428 1.169 90 HD23 LEU 13 HD23 LEU 13 7.437 -2.245 1.481 91 H TYR 14 H TYR 14 7.543 0.456 3.540 92 HA TYR 14 HA TYR 14 6.993 -2.286 4.350 93 HB2 TYR 14 HB2 TYR 14 8.086 -1.313 6.597 94 HB3 TYR 14 HB1 TYR 14 9.058 -1.808 5.217 95 HD1 TYR 14 HD2 TYR 14 9.873 -0.061 3.584 96 HD2 TYR 14 HD1 TYR 14 7.991 0.955 7.312 97 HE1 TYR 14 HE2 TYR 14 10.824 2.226 3.441 98 HE2 TYR 14 HE1 TYR 14 8.951 3.239 7.174 99 HH TYR 14 HH TYR 14 9.842 4.762 5.598 100 H GLN 15 H GLN 15 5.725 0.858 5.035 101 HA GLN 15 HA GLN 15 4.148 -0.018 7.312 102 HB2 GLN 15 HB2 GLN 15 3.332 2.207 7.327 103 HB3 GLN 15 HB1 GLN 15 4.997 2.350 6.791 104 HG2 GLN 15 HG2 GLN 15 4.361 3.226 4.825 105 HG3 GLN 15 HG1 GLN 15 3.220 1.921 4.537 106 HE21 GLN 15 HE21 GLN 15 3.487 4.817 6.685 107 HE22 GLN 15 HE22 GLN 15 1.855 5.258 6.532 108 H LEU 16 H LEU 16 3.920 -0.060 3.880 109 HA LEU 16 HA LEU 16 1.034 -0.261 3.674 110 HB2 LEU 16 HB2 LEU 16 3.379 -0.731 1.862 111 HB3 LEU 16 HB1 LEU 16 1.821 -1.416 1.410 112 HG LEU 16 HG LEU 16 2.431 0.970 0.569 113 HD11 LEU 16 HD11 LEU 16 -0.106 -0.101 1.665 114 HD12 LEU 16 HD12 LEU 16 0.268 0.461 0.037 115 HD13 LEU 16 HD13 LEU 16 -0.085 1.625 1.313 116 HD21 LEU 16 HD21 LEU 16 1.609 1.514 3.435 117 HD22 LEU 16 HD22 LEU 16 1.657 2.743 2.172 118 HD23 LEU 16 HD23 LEU 16 3.143 1.936 2.675 119 H GLU 17 H GLU 17 3.654 -2.451 4.365 120 HA GLU 17 HA GLU 17 2.502 -4.933 3.684 121 HB2 GLU 17 HB2 GLU 17 4.678 -5.160 4.473 122 HB3 GLU 17 HB1 GLU 17 4.435 -4.003 5.779 123 HG2 GLU 17 HG2 GLU 17 3.626 -5.588 7.215 124 HG3 GLU 17 HG1 GLU 17 2.810 -6.482 5.930 125 H ASN 18 H ASN 18 1.626 -2.645 6.128 126 HA ASN 18 HA ASN 18 0.244 -4.309 7.968 127 HB2 ASN 18 HB2 ASN 18 0.287 -1.453 7.268 128 HB3 ASN 18 HB1 ASN 18 -1.268 -2.001 7.897 129 HD21 ASN 18 HD21 ASN 18 1.137 -0.396 9.124 130 HD22 ASN 18 HD22 ASN 18 1.387 -1.170 10.614 131 H TYR 19 H TYR 19 -0.491 -3.486 4.719 132 HA TYR 19 HA TYR 19 -3.319 -4.354 5.054 133 HB2 TYR 19 HB2 TYR 19 -2.235 -3.350 2.450 134 HB3 TYR 19 HB1 TYR 19 -3.842 -3.146 3.146 135 HD1 TYR 19 HD2 TYR 19 -2.996 -2.260 5.923 136 HD2 TYR 19 HD1 TYR 19 -1.671 -1.063 2.014 137 HE1 TYR 19 HE2 TYR 19 -2.316 -0.053 6.829 138 HE2 TYR 19 HE1 TYR 19 -0.992 1.145 2.921 139 HH TYR 19 HH TYR 19 -1.712 2.594 4.954 140 H CYS 20 H CYS 20 -1.086 -6.242 5.155 141 HA CYS 20 HA CYS 20 -1.597 -7.756 2.642 142 HB2 CYS 20 HB2 CYS 20 0.828 -7.457 4.362 143 HB3 CYS 20 HB1 CYS 20 0.575 -8.997 3.538 144 H ASN 21 H ASN 21 -1.577 -7.844 6.126 145 HA ASN 21 HA ASN 21 -2.696 -10.613 6.008 146 HB2 ASN 21 HB2 ASN 21 -1.152 -9.247 8.227 147 HB3 ASN 21 HB1 ASN 21 -1.884 -10.845 8.351 148 HD21 ASN 21 HD21 ASN 21 0.891 -9.106 7.200 149 HD22 ASN 21 HD22 ASN 21 1.668 -10.421 6.458 150 H1 PHE 1 HT1 PHE 1 11.846 1.029 -3.737 151 H2 PHE 1 HT2 PHE 1 10.922 -0.017 -2.768 152 H3 PHE 1 HT3 PHE 1 11.795 1.257 -2.058 153 HA PHE 1 HA PHE 1 9.502 1.563 -3.920 154 HB2 PHE 1 HB2 PHE 1 9.284 0.775 -1.370 155 HB3 PHE 1 HB1 PHE 1 9.478 2.505 -1.088 156 HD1 PHE 1 HD1 PHE 1 7.738 0.463 -3.723 157 HD2 PHE 1 HD2 PHE 1 7.424 3.550 -0.747 158 HE1 PHE 1 HE1 PHE 1 5.368 0.825 -4.348 159 HE2 PHE 1 HE2 PHE 1 5.054 3.912 -1.374 160 HZ PHE 1 HZ PHE 1 4.024 2.550 -3.176 161 H VAL 2 H VAL 2 8.691 3.949 -3.534 162 HA VAL 2 HA VAL 2 11.065 5.755 -3.362 163 HB VAL 2 HB VAL 2 9.816 7.131 -5.154 164 HG11 VAL 2 HG11 VAL 2 11.876 6.050 -5.729 165 HG12 VAL 2 HG12 VAL 2 10.722 5.606 -6.986 166 HG13 VAL 2 HG13 VAL 2 11.121 4.456 -5.710 167 HG21 VAL 2 HG21 VAL 2 7.830 5.343 -4.758 168 HG22 VAL 2 HG22 VAL 2 8.670 4.550 -6.091 169 HG23 VAL 2 HG23 VAL 2 8.054 6.192 -6.287 170 H ASN 3 H ASN 3 10.292 8.106 -3.057 171 HA ASN 3 HA ASN 3 8.072 8.076 -1.068 172 HB2 ASN 3 HB2 ASN 3 10.358 10.010 -1.537 173 HB3 ASN 3 HB1 ASN 3 9.056 10.305 -0.386 174 HD21 ASN 3 HD21 ASN 3 9.695 9.747 1.692 175 HD22 ASN 3 HD22 ASN 3 10.694 8.433 2.090 176 H GLN 4 H GLN 4 6.282 8.296 -2.488 177 HA GLN 4 HA GLN 4 5.830 11.011 -3.466 178 HB2 GLN 4 HB2 GLN 4 5.232 10.094 -5.796 179 HB3 GLN 4 HB1 GLN 4 6.948 10.262 -5.425 180 HG2 GLN 4 HG2 GLN 4 7.294 7.997 -5.344 181 HG3 GLN 4 HG1 GLN 4 5.689 7.674 -4.686 182 HE21 GLN 4 HE21 GLN 4 7.397 8.484 -7.729 183 HE22 GLN 4 HE22 GLN 4 6.195 7.863 -8.754 184 H HIS 5 H HIS 5 3.583 10.935 -4.703 185 HA HIS 5 HA HIS 5 1.710 9.636 -2.866 186 HB2 HIS 5 HB2 HIS 5 1.155 11.247 -5.373 187 HB3 HIS 5 HB1 HIS 5 -0.015 10.830 -4.123 188 HD2 HIS 5 HD2 HIS 5 3.591 12.245 -3.316 189 HE1 HIS 5 HE1 HIS 5 0.683 15.010 -1.986 190 HE2 HIS 5 HE2 HIS 5 3.176 14.465 -2.029 191 H LEU 6 H LEU 6 0.435 7.842 -3.351 192 HA LEU 6 HA LEU 6 0.446 6.827 -6.118 193 HB2 LEU 6 HB2 LEU 6 1.108 4.550 -5.403 194 HB3 LEU 6 HB1 LEU 6 2.391 5.723 -5.166 195 HG LEU 6 HG LEU 6 2.279 4.256 -3.244 196 HD11 LEU 6 HD11 LEU 6 2.498 5.869 -1.650 197 HD12 LEU 6 HD12 LEU 6 0.968 6.639 -2.063 198 HD13 LEU 6 HD13 LEU 6 2.400 6.933 -3.052 199 HD21 LEU 6 HD21 LEU 6 -0.347 5.133 -2.268 200 HD22 LEU 6 HD22 LEU 6 0.386 3.531 -2.265 201 HD23 LEU 6 HD23 LEU 6 -0.418 4.124 -3.715 202 H CYS 7 H CYS 7 -1.323 5.508 -6.598 203 HA CYS 7 HA CYS 7 -3.193 4.695 -4.482 204 HB2 CYS 7 HB2 CYS 7 -3.929 6.821 -6.520 205 HB3 CYS 7 HB1 CYS 7 -5.097 5.968 -5.514 206 H GLY 8 H GLY 8 -5.157 3.618 -5.527 207 HA2 GLY 8 HA2 GLY 8 -5.998 1.968 -6.954 208 HA3 GLY 8 HA1 GLY 8 -5.294 2.921 -8.256 209 H SER 9 H SER 9 -4.382 1.349 -9.499 210 HA SER 9 HA SER 9 -3.190 -1.052 -8.673 211 HB2 SER 9 HB2 SER 9 -1.952 0.363 -10.983 212 HB3 SER 9 HB1 SER 9 -2.530 -1.295 -10.863 213 HG SER 9 HG SER 9 -4.681 -0.364 -10.809 214 H ASP 10 H ASP 10 -2.006 2.164 -8.369 215 HA ASP 10 HA ASP 10 0.801 1.464 -8.236 216 HB2 ASP 10 HB2 ASP 10 -0.752 3.872 -7.278 217 HB3 ASP 10 HB1 ASP 10 0.996 3.730 -7.093 218 H LEU 11 H LEU 11 -1.825 1.664 -5.922 219 HA LEU 11 HA LEU 11 -0.220 1.425 -3.558 220 HB2 LEU 11 HB2 LEU 11 -3.053 0.512 -4.126 221 HB3 LEU 11 HB1 LEU 11 -2.309 0.463 -2.530 222 HG LEU 11 HG LEU 11 -2.112 3.050 -3.963 223 HD11 LEU 11 HD11 LEU 11 -4.432 2.267 -4.478 224 HD12 LEU 11 HD12 LEU 11 -4.406 3.693 -3.441 225 HD13 LEU 11 HD13 LEU 11 -4.726 2.102 -2.749 226 HD21 LEU 11 HD21 LEU 11 -2.728 3.811 -1.617 227 HD22 LEU 11 HD22 LEU 11 -1.245 2.866 -1.722 228 HD23 LEU 11 HD23 LEU 11 -2.729 2.111 -1.149 229 H VAL 12 H VAL 12 -1.480 -0.882 -5.881 230 HA VAL 12 HA VAL 12 -0.501 -3.147 -4.303 231 HB VAL 12 HB VAL 12 -0.941 -4.464 -6.414 232 HG11 VAL 12 HG11 VAL 12 -2.863 -3.071 -4.668 233 HG12 VAL 12 HG12 VAL 12 -2.693 -4.791 -5.015 234 HG13 VAL 12 HG13 VAL 12 -3.556 -3.746 -6.142 235 HG21 VAL 12 HG21 VAL 12 -0.753 -2.630 -8.014 236 HG22 VAL 12 HG22 VAL 12 -2.148 -1.830 -7.288 237 HG23 VAL 12 HG23 VAL 12 -2.348 -3.371 -8.117 238 H GLU 13 H GLU 13 0.540 -1.357 -7.222 239 HA GLU 13 HA GLU 13 2.733 -2.897 -7.968 240 HB2 GLU 13 HB2 GLU 13 2.365 -0.913 -9.231 241 HB3 GLU 13 HB1 GLU 13 2.404 0.103 -7.791 242 HG2 GLU 13 HG2 GLU 13 4.638 0.344 -7.936 243 HG3 GLU 13 HG1 GLU 13 4.871 -1.400 -8.056 244 H ALA 14 H ALA 14 2.284 -0.827 -5.226 245 HA ALA 14 HA ALA 14 4.985 -1.083 -4.177 246 HB1 ALA 14 HB1 ALA 14 2.455 -0.228 -2.750 247 HB2 ALA 14 HB2 ALA 14 3.424 0.860 -3.744 248 HB3 ALA 14 HB3 ALA 14 4.114 0.150 -2.284 249 H LEU 15 H LEU 15 1.830 -2.145 -2.968 250 HA LEU 15 HA LEU 15 2.888 -4.038 -1.081 251 HB2 LEU 15 HB2 LEU 15 0.200 -3.410 -2.243 252 HB3 LEU 15 HB1 LEU 15 0.397 -4.930 -1.370 253 HG LEU 15 HG LEU 15 1.504 -2.473 -0.093 254 HD11 LEU 15 HD11 LEU 15 -0.505 -1.498 0.445 255 HD12 LEU 15 HD12 LEU 15 -1.370 -3.035 0.429 256 HD13 LEU 15 HD13 LEU 15 -0.996 -2.218 -1.089 257 HD21 LEU 15 HD21 LEU 15 0.409 -5.139 0.665 258 HD22 LEU 15 HD22 LEU 15 0.173 -3.825 1.818 259 HD23 LEU 15 HD23 LEU 15 1.802 -4.272 1.311 260 H TYR 16 H TYR 16 2.815 -4.157 -4.403 261 HA TYR 16 HA TYR 16 2.161 -6.970 -4.771 262 HB2 TYR 16 HB2 TYR 16 1.573 -5.777 -6.662 263 HB3 TYR 16 HB1 TYR 16 2.909 -4.646 -6.491 264 HD1 TYR 16 HD1 TYR 16 2.726 -8.379 -6.788 265 HD2 TYR 16 HD2 TYR 16 4.269 -4.686 -8.342 266 HE1 TYR 16 HE1 TYR 16 4.058 -9.642 -8.464 267 HE2 TYR 16 HE2 TYR 16 5.603 -5.942 -10.018 268 HH TYR 16 HH TYR 16 5.412 -9.504 -10.219 269 H LEU 17 H LEU 17 5.139 -4.994 -4.931 270 HA LEU 17 HA LEU 17 6.686 -7.511 -5.170 271 HB2 LEU 17 HB2 LEU 17 8.576 -5.524 -5.102 272 HB3 LEU 17 HB1 LEU 17 7.865 -6.202 -6.558 273 HG LEU 17 HG LEU 17 6.055 -4.444 -6.382 274 HD11 LEU 17 HD11 LEU 17 7.995 -3.224 -4.396 275 HD12 LEU 17 HD12 LEU 17 6.451 -3.958 -3.963 276 HD13 LEU 17 HD13 LEU 17 6.487 -2.508 -4.966 277 HD21 LEU 17 HD21 LEU 17 8.502 -2.842 -6.591 278 HD22 LEU 17 HD22 LEU 17 7.285 -3.203 -7.817 279 HD23 LEU 17 HD23 LEU 17 8.582 -4.354 -7.494 280 H VAL 18 H VAL 18 5.602 -5.456 -2.735 281 HA VAL 18 HA VAL 18 7.891 -5.942 -0.950 282 HB VAL 18 HB VAL 18 6.730 -4.655 0.683 283 HG11 VAL 18 HG11 VAL 18 5.593 -2.845 -1.024 284 HG12 VAL 18 HG12 VAL 18 6.657 -3.731 -2.117 285 HG13 VAL 18 HG13 VAL 18 7.321 -2.940 -0.688 286 HG21 VAL 18 HG21 VAL 18 4.305 -4.028 0.308 287 HG22 VAL 18 HG22 VAL 18 4.582 -5.735 0.658 288 HG23 VAL 18 HG23 VAL 18 4.279 -5.213 -0.998 289 H CYS 19 H CYS 19 4.544 -6.998 -1.298 290 HA CYS 19 HA CYS 19 4.991 -9.089 0.764 291 HB2 CYS 19 HB2 CYS 19 2.566 -7.873 -0.522 292 HB3 CYS 19 HB1 CYS 19 2.447 -9.489 0.176 293 H GLY 20 H GLY 20 4.563 -8.657 -2.678 294 HA2 GLY 20 HA2 GLY 20 5.049 -10.217 -4.390 295 HA3 GLY 20 HA1 GLY 20 5.385 -11.422 -3.145 296 H GLU 21 H GLU 21 4.052 -13.123 -3.597 297 HA GLU 21 HA GLU 21 1.212 -12.526 -4.296 298 HB2 GLU 21 HB2 GLU 21 2.941 -14.144 -5.604 299 HB3 GLU 21 HB1 GLU 21 2.243 -15.305 -4.474 300 HG2 GLU 21 HG2 GLU 21 0.139 -13.665 -5.540 301 HG3 GLU 21 HG1 GLU 21 1.092 -14.314 -6.877 302 H ARG 22 H ARG 22 2.367 -12.466 -1.552 303 HA ARG 22 HA ARG 22 1.279 -14.877 -0.258 304 HB2 ARG 22 HB2 ARG 22 3.088 -12.740 0.464 305 HB3 ARG 22 HB1 ARG 22 1.827 -12.905 1.687 306 HG2 ARG 22 HG2 ARG 22 2.556 -15.538 1.015 307 HG3 ARG 22 HG1 ARG 22 4.076 -14.650 1.143 308 HD2 ARG 22 HD2 ARG 22 3.898 -14.530 3.387 309 HD3 ARG 22 HD1 ARG 22 2.255 -13.899 3.277 310 HE ARG 22 HE ARG 22 1.545 -16.050 3.888 311 HH11 ARG 22 HH21 ARG 22 4.759 -16.462 3.909 312 HH12 ARG 22 HH22 ARG 22 4.795 -18.051 3.222 313 HH21 ARG 22 HH11 ARG 22 1.469 -17.992 2.243 314 HH22 ARG 22 HH12 ARG 22 2.933 -18.918 2.279 315 H GLY 23 H GLY 23 -0.294 -12.547 -1.710 316 HA2 GLY 23 HA2 GLY 23 -2.632 -12.082 -1.439 317 HA3 GLY 23 HA1 GLY 23 -2.512 -12.591 0.246 318 H ALA 24 H ALA 24 -3.246 -9.959 -1.405 319 HA ALA 24 HA ALA 24 -2.360 -8.168 0.741 320 HB1 ALA 24 HB1 ALA 24 -1.268 -6.566 -0.812 321 HB2 ALA 24 HB2 ALA 24 -1.444 -7.738 -2.117 322 HB3 ALA 24 HB3 ALA 24 -0.407 -8.104 -0.738 323 H PHE 25 H PHE 25 -4.791 -8.309 0.795 324 HA PHE 25 HA PHE 25 -6.206 -6.904 -1.367 325 HB2 PHE 25 HB2 PHE 25 -8.230 -7.394 -0.062 326 HB3 PHE 25 HB1 PHE 25 -7.255 -8.853 -0.242 327 HD1 PHE 25 HD2 PHE 25 -5.918 -9.723 1.648 328 HD2 PHE 25 HD1 PHE 25 -8.495 -6.312 2.089 329 HE1 PHE 25 HE2 PHE 25 -5.779 -9.937 4.116 330 HE2 PHE 25 HE1 PHE 25 -8.357 -6.527 4.558 331 HZ PHE 25 HZ PHE 25 -6.998 -8.340 5.571 332 H TYR 26 H TYR 26 -7.096 -4.821 -1.161 333 HA TYR 26 HA TYR 26 -6.367 -3.358 1.343 334 HB2 TYR 26 HB2 TYR 26 -6.336 -1.339 -0.396 335 HB3 TYR 26 HB1 TYR 26 -4.908 -2.341 -0.133 336 HD1 TYR 26 HD2 TYR 26 -4.505 -4.326 -1.679 337 HD2 TYR 26 HD1 TYR 26 -7.406 -1.267 -2.512 338 HE1 TYR 26 HE2 TYR 26 -4.545 -5.014 -4.063 339 HE2 TYR 26 HE1 TYR 26 -7.446 -1.955 -4.896 340 HH TYR 26 HH TYR 26 -5.510 -4.721 -6.043 341 H THR 27 H THR 27 -8.746 -3.949 -1.130 342 HA THR 27 HA THR 27 -10.755 -2.573 0.548 343 HB THR 27 HB THR 27 -11.677 -1.357 -1.427 344 HG1 THR 27 HG1 THR 27 -10.860 -1.730 -3.309 345 HG21 THR 27 HG21 THR 27 -9.779 0.324 -1.570 346 HG22 THR 27 HG22 THR 27 -8.824 -0.792 -0.594 347 HG23 THR 27 HG23 THR 27 -10.298 -0.084 0.065 348 H LYS 28 H LYS 28 -12.959 -3.205 -0.030 349 HA LYS 28 HA LYS 28 -13.088 -5.973 -0.928 350 HB2 LYS 28 HB2 LYS 28 -14.755 -4.160 0.548 351 HB3 LYS 28 HB1 LYS 28 -15.697 -4.855 -0.772 352 HG2 LYS 28 HG2 LYS 28 -14.614 -7.115 -0.008 353 HG3 LYS 28 HG1 LYS 28 -14.317 -6.256 1.504 354 HD2 LYS 28 HD2 LYS 28 -16.431 -6.803 2.082 355 HD3 LYS 28 HD1 LYS 28 -16.955 -5.612 0.891 356 HE2 LYS 28 HE2 LYS 28 -18.009 -7.364 -0.098 357 HE3 LYS 28 HE1 LYS 28 -16.404 -7.780 -0.700 358 HZ1 LYS 28 HZ1 LYS 28 -16.186 -9.460 0.769 359 HZ2 LYS 28 HZ2 LYS 28 -17.884 -9.448 0.715 360 HZ3 LYS 28 HZ3 LYS 28 -17.066 -8.678 1.989 361 HA PRO 29 HA PRO 29 -15.469 -4.025 -4.582 362 HB2 PRO 29 HB2 PRO 29 -15.536 -1.281 -4.739 363 HB3 PRO 29 HB1 PRO 29 -16.758 -2.243 -3.889 364 HG2 PRO 29 HG2 PRO 29 -14.564 -0.572 -2.757 365 HG3 PRO 29 HG1 PRO 29 -16.118 -1.024 -2.034 366 HD2 PRO 29 HD2 PRO 29 -13.607 -2.193 -1.447 367 HD3 PRO 29 HD1 PRO 29 -15.196 -2.835 -0.977 368 H THR 30 H THR 30 -13.829 -4.675 -5.991 369 HA THR 30 HA THR 30 -11.819 -2.587 -6.719 370 HB THR 30 HB THR 30 -10.074 -4.207 -6.842 371 HG1 THR 30 HG1 THR 30 -10.469 -6.254 -7.136 372 HG21 THR 30 HG21 THR 30 -11.245 -3.579 -4.479 373 HG22 THR 30 HG22 THR 30 -9.787 -4.563 -4.605 374 HG23 THR 30 HG23 THR 30 -11.361 -5.338 -4.424 Start of MODEL 13 1 H1 GLY 1 HT1 GLY 1 -9.319 3.368 2.569 2 H2 GLY 1 HT2 GLY 1 -10.555 4.486 2.895 3 H3 GLY 1 HT3 GLY 1 -10.349 3.132 3.897 4 HA2 GLY 1 HA1 GLY 1 -8.371 5.269 3.678 5 HA3 GLY 1 HA2 GLY 1 -9.553 5.172 5.018 6 H ILE 2 H ILE 2 -7.999 2.347 3.659 7 HA ILE 2 HA ILE 2 -5.888 2.158 5.556 8 HB ILE 2 HB ILE 2 -6.810 0.236 4.246 9 HG12 ILE 2 HG12 ILE 2 -4.741 -0.946 4.090 10 HG13 ILE 2 HG11 ILE 2 -3.840 0.528 3.738 11 HG21 ILE 2 HG21 ILE 2 -5.034 0.783 1.955 12 HG22 ILE 2 HG22 ILE 2 -6.417 1.870 2.079 13 HG23 ILE 2 HG23 ILE 2 -6.671 0.127 1.978 14 HD11 ILE 2 HD11 ILE 2 -4.019 1.311 5.960 15 HD12 ILE 2 HD12 ILE 2 -3.705 -0.415 6.146 16 HD13 ILE 2 HD13 ILE 2 -5.345 0.209 6.332 17 H VAL 3 H VAL 3 -6.076 3.746 2.448 18 HA VAL 3 HA VAL 3 -3.150 4.315 2.551 19 HB VAL 3 HB VAL 3 -3.372 4.983 0.217 20 HG11 VAL 3 HG11 VAL 3 -3.038 2.760 -0.012 21 HG12 VAL 3 HG12 VAL 3 -4.748 2.693 -0.434 22 HG13 VAL 3 HG13 VAL 3 -4.232 2.363 1.219 23 HG21 VAL 3 HG21 VAL 3 -5.636 4.657 -0.878 24 HG22 VAL 3 HG22 VAL 3 -5.542 6.023 0.234 25 HG23 VAL 3 HG23 VAL 3 -6.317 4.525 0.744 26 H GLU 4 H GLU 4 -5.591 5.598 4.005 27 HA GLU 4 HA GLU 4 -6.229 8.143 3.232 28 HB2 GLU 4 HB2 GLU 4 -5.860 8.791 5.728 29 HB3 GLU 4 HB1 GLU 4 -7.035 7.532 5.350 30 HG2 GLU 4 HG2 GLU 4 -5.897 6.139 6.701 31 HG3 GLU 4 HG1 GLU 4 -4.542 6.220 5.577 32 H GLN 5 H GLN 5 -3.013 7.043 4.059 33 HA GLN 5 HA GLN 5 -2.021 9.836 3.971 34 HB2 GLN 5 HB2 GLN 5 0.207 8.561 4.562 35 HB3 GLN 5 HB1 GLN 5 -1.015 8.816 5.806 36 HG2 GLN 5 HG2 GLN 5 -1.386 6.359 4.197 37 HG3 GLN 5 HG1 GLN 5 0.061 6.377 5.198 38 HE21 GLN 5 HE21 GLN 5 -0.824 7.837 7.441 39 HE22 GLN 5 HE22 GLN 5 -2.071 6.982 8.212 40 H CYS 6 H CYS 6 -0.213 6.974 2.893 41 HA CYS 6 HA CYS 6 1.223 8.009 0.854 42 HB2 CYS 6 HB2 CYS 6 0.018 5.363 1.298 43 HB3 CYS 6 HB1 CYS 6 0.430 5.702 -0.382 44 H CYS 7 H CYS 7 -2.257 7.353 0.621 45 HA CYS 7 HA CYS 7 -2.378 7.941 -2.209 46 HB2 CYS 7 HB2 CYS 7 -4.281 7.334 -0.074 47 HB3 CYS 7 HB1 CYS 7 -4.892 8.494 -1.243 48 H THR 8 H THR 8 -3.432 9.817 0.665 49 HA THR 8 HA THR 8 -3.871 12.238 -0.838 50 HB THR 8 HB THR 8 -4.909 11.809 1.382 51 HG1 THR 8 HG1 THR 8 -4.077 14.005 0.464 52 HG21 THR 8 HG21 THR 8 -2.841 10.729 2.346 53 HG22 THR 8 HG22 THR 8 -3.600 11.920 3.403 54 HG23 THR 8 HG23 THR 8 -2.146 12.341 2.498 55 H SER 9 H SER 9 -1.173 11.134 1.225 56 HA SER 9 HA SER 9 0.547 13.104 -0.212 57 HB2 SER 9 HB2 SER 9 1.793 13.185 2.100 58 HB3 SER 9 HB1 SER 9 0.361 14.178 1.850 59 HG SER 9 HG SER 9 -0.590 13.066 3.349 60 H ILE 10 H ILE 10 1.986 11.307 2.355 61 HA ILE 10 HA ILE 10 2.778 9.097 0.549 62 HB ILE 10 HB ILE 10 4.950 10.531 2.042 63 HG12 ILE 10 HG12 ILE 10 3.615 12.205 0.638 64 HG13 ILE 10 HG11 ILE 10 5.328 12.068 0.246 65 HG21 ILE 10 HG21 ILE 10 6.055 8.837 1.040 66 HG22 ILE 10 HG22 ILE 10 5.799 9.693 -0.480 67 HG23 ILE 10 HG23 ILE 10 4.665 8.442 0.028 68 HD11 ILE 10 HD11 ILE 10 3.730 10.131 -1.232 69 HD12 ILE 10 HD12 ILE 10 4.882 11.323 -1.835 70 HD13 ILE 10 HD13 ILE 10 3.205 11.785 -1.544 71 H CYS 11 H CYS 11 4.025 7.407 1.806 72 HA CYS 11 HA CYS 11 3.797 7.565 4.736 73 HB2 CYS 11 HB2 CYS 11 2.323 5.705 5.010 74 HB3 CYS 11 HB1 CYS 11 1.544 6.762 3.836 75 H SER 12 H SER 12 4.385 5.065 5.498 76 HA SER 12 HA SER 12 7.021 4.624 4.237 77 HB2 SER 12 HB2 SER 12 6.826 2.757 6.226 78 HB3 SER 12 HB1 SER 12 7.462 4.384 6.445 79 HG SER 12 HG SER 12 4.717 3.708 6.677 80 H LEU 13 H LEU 13 7.462 2.924 2.900 81 HA LEU 13 HA LEU 13 5.361 1.366 1.785 82 HB2 LEU 13 HB2 LEU 13 7.177 0.038 0.727 83 HB3 LEU 13 HB1 LEU 13 7.430 1.775 0.556 84 HG LEU 13 HG LEU 13 8.598 0.525 2.982 85 HD11 LEU 13 HD11 LEU 13 10.218 0.264 0.496 86 HD12 LEU 13 HD12 LEU 13 8.955 -0.940 0.756 87 HD13 LEU 13 HD13 LEU 13 10.230 -0.725 1.956 88 HD21 LEU 13 HD21 LEU 13 9.797 2.437 2.917 89 HD22 LEU 13 HD22 LEU 13 8.790 2.938 1.560 90 HD23 LEU 13 HD23 LEU 13 10.322 2.114 1.265 91 H TYR 14 H TYR 14 7.532 0.713 4.478 92 HA TYR 14 HA TYR 14 6.871 -2.088 4.637 93 HB2 TYR 14 HB2 TYR 14 7.662 -1.830 7.069 94 HB3 TYR 14 HB1 TYR 14 8.840 -1.504 5.803 95 HD1 TYR 14 HD1 TYR 14 6.553 0.056 8.274 96 HD2 TYR 14 HD2 TYR 14 9.745 0.691 5.467 97 HE1 TYR 14 HE1 TYR 14 6.921 2.326 9.207 98 HE2 TYR 14 HE2 TYR 14 10.111 2.962 6.398 99 HH TYR 14 HH TYR 14 9.617 4.066 8.790 100 H GLN 15 H GLN 15 5.301 0.819 5.637 101 HA GLN 15 HA GLN 15 3.506 -0.454 7.518 102 HB2 GLN 15 HB2 GLN 15 2.571 1.667 7.752 103 HB3 GLN 15 HB1 GLN 15 4.199 2.060 7.238 104 HG2 GLN 15 HG2 GLN 15 3.276 3.254 5.568 105 HG3 GLN 15 HG1 GLN 15 2.774 1.727 4.851 106 HE21 GLN 15 HE21 GLN 15 0.702 0.854 6.425 107 HE22 GLN 15 HE22 GLN 15 -0.544 2.004 6.493 108 H LEU 16 H LEU 16 3.701 -0.083 4.090 109 HA LEU 16 HA LEU 16 0.901 -0.543 3.509 110 HB2 LEU 16 HB2 LEU 16 3.453 -0.677 1.913 111 HB3 LEU 16 HB1 LEU 16 1.951 -1.304 1.231 112 HG LEU 16 HG LEU 16 0.888 0.921 1.798 113 HD11 LEU 16 HD11 LEU 16 2.094 2.217 3.194 114 HD12 LEU 16 HD12 LEU 16 3.094 2.597 1.793 115 HD13 LEU 16 HD13 LEU 16 3.566 1.299 2.885 116 HD21 LEU 16 HD21 LEU 16 1.264 1.213 -0.408 117 HD22 LEU 16 HD22 LEU 16 2.720 0.221 -0.323 118 HD23 LEU 16 HD23 LEU 16 2.813 1.953 -0.003 119 H GLU 17 H GLU 17 3.759 -2.570 3.937 120 HA GLU 17 HA GLU 17 2.793 -5.047 3.054 121 HB2 GLU 17 HB2 GLU 17 4.982 -5.176 3.844 122 HB3 GLU 17 HB1 GLU 17 4.636 -4.192 5.265 123 HG2 GLU 17 HG2 GLU 17 3.838 -5.981 6.484 124 HG3 GLU 17 HG1 GLU 17 3.278 -6.844 5.050 125 H ASN 18 H ASN 18 1.785 -3.086 5.729 126 HA ASN 18 HA ASN 18 0.478 -5.037 7.333 127 HB2 ASN 18 HB2 ASN 18 0.880 -2.374 7.573 128 HB3 ASN 18 HB1 ASN 18 -0.810 -2.375 7.064 129 HD21 ASN 18 HD21 ASN 18 -1.085 -1.547 9.421 130 HD22 ASN 18 HD22 ASN 18 -1.250 -2.720 10.637 131 H TYR 19 H TYR 19 -0.583 -3.257 4.490 132 HA TYR 19 HA TYR 19 -3.323 -4.028 4.543 133 HB2 TYR 19 HB2 TYR 19 -1.732 -3.693 1.999 134 HB3 TYR 19 HB1 TYR 19 -3.431 -3.323 2.276 135 HD1 TYR 19 HD2 TYR 19 -2.488 -2.155 5.191 136 HD2 TYR 19 HD1 TYR 19 -1.578 -1.332 1.071 137 HE1 TYR 19 HE2 TYR 19 -1.876 0.173 5.790 138 HE2 TYR 19 HE1 TYR 19 -0.968 0.997 1.672 139 HH TYR 19 HH TYR 19 -1.672 2.342 4.760 140 H CYS 20 H CYS 20 -0.496 -5.867 4.014 141 HA CYS 20 HA CYS 20 -1.658 -7.904 2.300 142 HB2 CYS 20 HB2 CYS 20 0.740 -8.072 4.146 143 HB3 CYS 20 HB1 CYS 20 0.351 -9.201 2.850 144 H ASN 21 H ASN 21 -0.895 -10.255 3.771 145 HA ASN 21 HA ASN 21 -3.284 -10.529 5.436 146 HB2 ASN 21 HB2 ASN 21 -1.035 -12.445 4.766 147 HB3 ASN 21 HB1 ASN 21 -2.437 -12.880 5.743 148 HD21 ASN 21 HD21 ASN 21 -4.456 -11.442 4.304 149 HD22 ASN 21 HD22 ASN 21 -4.614 -12.139 2.764 150 H1 PHE 1 HT1 PHE 1 10.457 1.246 -1.467 151 H2 PHE 1 HT2 PHE 1 8.949 0.582 -1.881 152 H3 PHE 1 HT3 PHE 1 9.031 1.982 -0.920 153 HA PHE 1 HA PHE 1 10.095 1.892 -3.679 154 HB2 PHE 1 HB2 PHE 1 7.894 3.212 -4.130 155 HB3 PHE 1 HB1 PHE 1 7.813 1.451 -4.052 156 HD1 PHE 1 HD1 PHE 1 7.636 4.434 -1.777 157 HD2 PHE 1 HD2 PHE 1 6.212 0.477 -2.662 158 HE1 PHE 1 HE1 PHE 1 6.031 4.590 0.108 159 HE2 PHE 1 HE2 PHE 1 4.608 0.633 -0.777 160 HZ PHE 1 HZ PHE 1 4.518 2.690 0.608 161 H VAL 2 H VAL 2 9.394 4.408 -4.390 162 HA VAL 2 HA VAL 2 11.026 6.035 -2.552 163 HB VAL 2 HB VAL 2 10.659 7.785 -4.405 164 HG11 VAL 2 HG11 VAL 2 12.765 6.879 -4.561 165 HG12 VAL 2 HG12 VAL 2 12.082 6.175 -6.027 166 HG13 VAL 2 HG13 VAL 2 12.166 5.220 -4.546 167 HG21 VAL 2 HG21 VAL 2 9.420 7.252 -6.235 168 HG22 VAL 2 HG22 VAL 2 8.701 6.025 -5.193 169 HG23 VAL 2 HG23 VAL 2 10.026 5.597 -6.274 170 H ASN 3 H ASN 3 10.206 8.365 -2.182 171 HA ASN 3 HA ASN 3 7.592 8.194 -0.902 172 HB2 ASN 3 HB2 ASN 3 9.786 10.209 -1.086 173 HB3 ASN 3 HB1 ASN 3 8.173 10.804 -0.695 174 HD21 ASN 3 HD21 ASN 3 10.932 9.095 0.563 175 HD22 ASN 3 HD22 ASN 3 10.284 8.758 2.095 176 H GLN 4 H GLN 4 5.829 8.218 -2.247 177 HA GLN 4 HA GLN 4 5.357 10.588 -3.884 178 HB2 GLN 4 HB2 GLN 4 4.847 9.077 -5.925 179 HB3 GLN 4 HB1 GLN 4 6.536 9.457 -5.591 180 HG2 GLN 4 HG2 GLN 4 7.038 7.298 -5.145 181 HG3 GLN 4 HG1 GLN 4 5.606 7.095 -4.133 182 HE21 GLN 4 HE21 GLN 4 6.946 6.442 -7.265 183 HE22 GLN 4 HE22 GLN 4 5.550 5.768 -7.956 184 H HIS 5 H HIS 5 3.126 10.609 -4.694 185 HA HIS 5 HA HIS 5 1.316 9.203 -2.852 186 HB2 HIS 5 HB2 HIS 5 0.341 10.892 -5.130 187 HB3 HIS 5 HB1 HIS 5 -0.306 10.742 -3.497 188 HD2 HIS 5 HD2 HIS 5 2.662 12.585 -5.338 189 HE1 HIS 5 HE1 HIS 5 2.143 14.291 -1.505 190 HE2 HIS 5 HE2 HIS 5 3.399 14.483 -3.717 191 H LEU 6 H LEU 6 0.099 7.423 -3.401 192 HA LEU 6 HA LEU 6 -0.258 6.788 -6.262 193 HB2 LEU 6 HB2 LEU 6 0.448 4.412 -5.872 194 HB3 LEU 6 HB1 LEU 6 1.761 5.574 -5.779 195 HG LEU 6 HG LEU 6 1.937 3.912 -3.985 196 HD11 LEU 6 HD11 LEU 6 1.080 6.229 -2.379 197 HD12 LEU 6 HD12 LEU 6 2.200 6.604 -3.690 198 HD13 LEU 6 HD13 LEU 6 2.647 5.425 -2.459 199 HD21 LEU 6 HD21 LEU 6 -0.776 3.899 -3.904 200 HD22 LEU 6 HD22 LEU 6 -0.420 4.923 -2.511 201 HD23 LEU 6 HD23 LEU 6 0.241 3.294 -2.601 202 H CYS 7 H CYS 7 -2.040 5.424 -6.677 203 HA CYS 7 HA CYS 7 -3.616 4.366 -4.441 204 HB2 CYS 7 HB2 CYS 7 -4.789 6.523 -6.230 205 HB3 CYS 7 HB1 CYS 7 -5.643 5.647 -4.964 206 H GLY 8 H GLY 8 -5.322 2.948 -5.223 207 HA2 GLY 8 HA2 GLY 8 -6.324 1.473 -6.744 208 HA3 GLY 8 HA1 GLY 8 -5.921 2.626 -8.012 209 H SER 9 H SER 9 -4.807 1.593 -9.565 210 HA SER 9 HA SER 9 -3.418 -0.857 -9.266 211 HB2 SER 9 HB2 SER 9 -2.353 -0.229 -11.475 212 HB3 SER 9 HB1 SER 9 -4.114 -0.166 -11.458 213 HG SER 9 HG SER 9 -2.251 1.852 -11.702 214 H ASP 10 H ASP 10 -2.416 2.353 -8.499 215 HA ASP 10 HA ASP 10 0.437 1.691 -8.612 216 HB2 ASP 10 HB2 ASP 10 -0.922 4.055 -7.288 217 HB3 ASP 10 HB1 ASP 10 0.792 3.917 -7.674 218 H LEU 11 H LEU 11 -2.152 1.580 -6.309 219 HA LEU 11 HA LEU 11 -0.519 1.397 -3.947 220 HB2 LEU 11 HB2 LEU 11 -3.354 0.772 -4.644 221 HB3 LEU 11 HB1 LEU 11 -2.689 0.018 -3.196 222 HG LEU 11 HG LEU 11 -2.490 2.985 -3.759 223 HD11 LEU 11 HD11 LEU 11 -4.863 2.266 -3.538 224 HD12 LEU 11 HD12 LEU 11 -4.342 3.269 -2.184 225 HD13 LEU 11 HD13 LEU 11 -4.470 1.521 -1.988 226 HD21 LEU 11 HD21 LEU 11 -2.262 1.477 -1.144 227 HD22 LEU 11 HD22 LEU 11 -1.785 3.141 -1.478 228 HD23 LEU 11 HD23 LEU 11 -0.867 1.806 -2.169 229 H VAL 12 H VAL 12 -1.468 -0.842 -6.448 230 HA VAL 12 HA VAL 12 -0.572 -3.171 -4.914 231 HB VAL 12 HB VAL 12 -0.687 -4.328 -7.172 232 HG11 VAL 12 HG11 VAL 12 -3.371 -3.237 -6.937 233 HG12 VAL 12 HG12 VAL 12 -2.673 -3.574 -5.353 234 HG13 VAL 12 HG13 VAL 12 -2.788 -4.858 -6.555 235 HG21 VAL 12 HG21 VAL 12 -0.394 -2.241 -8.505 236 HG22 VAL 12 HG22 VAL 12 -2.001 -1.731 -7.992 237 HG23 VAL 12 HG23 VAL 12 -1.809 -3.176 -8.982 238 H GLU 13 H GLU 13 0.717 -1.110 -7.533 239 HA GLU 13 HA GLU 13 3.081 -2.447 -8.114 240 HB2 GLU 13 HB2 GLU 13 2.741 -0.373 -9.235 241 HB3 GLU 13 HB1 GLU 13 2.540 0.502 -7.717 242 HG2 GLU 13 HG2 GLU 13 4.753 0.880 -7.566 243 HG3 GLU 13 HG1 GLU 13 5.110 -0.833 -7.788 244 H ALA 14 H ALA 14 2.164 -0.672 -5.278 245 HA ALA 14 HA ALA 14 4.724 -0.908 -3.915 246 HB1 ALA 14 HB1 ALA 14 2.590 -0.483 -2.082 247 HB2 ALA 14 HB2 ALA 14 2.221 0.448 -3.533 248 HB3 ALA 14 HB3 ALA 14 3.743 0.710 -2.681 249 H LEU 15 H LEU 15 1.530 -2.098 -2.961 250 HA LEU 15 HA LEU 15 2.334 -4.125 -1.224 251 HB2 LEU 15 HB2 LEU 15 -0.039 -3.676 -2.946 252 HB3 LEU 15 HB1 LEU 15 0.209 -5.341 -2.416 253 HG LEU 15 HG LEU 15 0.684 -3.579 -0.198 254 HD11 LEU 15 HD11 LEU 15 -0.750 -1.896 -0.790 255 HD12 LEU 15 HD12 LEU 15 -1.974 -3.036 -0.233 256 HD13 LEU 15 HD13 LEU 15 -1.612 -2.902 -1.954 257 HD21 LEU 15 HD21 LEU 15 -0.668 -5.117 0.898 258 HD22 LEU 15 HD22 LEU 15 -0.192 -6.071 -0.506 259 HD23 LEU 15 HD23 LEU 15 -1.767 -5.281 -0.470 260 H TYR 16 H TYR 16 1.575 -4.516 -4.618 261 HA TYR 16 HA TYR 16 2.124 -6.999 -5.376 262 HB2 TYR 16 HB2 TYR 16 1.804 -5.355 -7.071 263 HB3 TYR 16 HB1 TYR 16 3.251 -4.472 -6.586 264 HD1 TYR 16 HD1 TYR 16 2.880 -8.152 -6.966 265 HD2 TYR 16 HD2 TYR 16 4.559 -4.528 -8.546 266 HE1 TYR 16 HE1 TYR 16 4.250 -9.482 -8.555 267 HE2 TYR 16 HE2 TYR 16 5.930 -5.855 -10.138 268 HH TYR 16 HH TYR 16 6.037 -7.983 -11.142 269 H LEU 17 H LEU 17 4.923 -4.744 -4.875 270 HA LEU 17 HA LEU 17 6.591 -7.203 -4.744 271 HB2 LEU 17 HB2 LEU 17 8.400 -5.155 -4.626 272 HB3 LEU 17 HB1 LEU 17 7.890 -5.972 -6.099 273 HG LEU 17 HG LEU 17 5.992 -4.249 -6.213 274 HD11 LEU 17 HD11 LEU 17 7.265 -3.500 -3.741 275 HD12 LEU 17 HD12 LEU 17 5.805 -2.838 -4.469 276 HD13 LEU 17 HD13 LEU 17 7.377 -2.164 -4.885 277 HD21 LEU 17 HD21 LEU 17 7.588 -3.854 -7.829 278 HD22 LEU 17 HD22 LEU 17 8.907 -3.789 -6.660 279 HD23 LEU 17 HD23 LEU 17 7.827 -2.409 -6.848 280 H VAL 18 H VAL 18 5.644 -4.476 -2.674 281 HA VAL 18 HA VAL 18 7.592 -4.807 -0.655 282 HB VAL 18 HB VAL 18 6.092 -3.758 0.854 283 HG11 VAL 18 HG11 VAL 18 4.661 -2.423 -1.188 284 HG12 VAL 18 HG12 VAL 18 6.218 -2.875 -1.883 285 HG13 VAL 18 HG13 VAL 18 6.156 -1.903 -0.412 286 HG21 VAL 18 HG21 VAL 18 3.604 -3.659 0.293 287 HG22 VAL 18 HG22 VAL 18 4.217 -5.228 0.817 288 HG23 VAL 18 HG23 VAL 18 3.927 -4.921 -0.893 289 H CYS 19 H CYS 19 4.620 -6.566 -1.250 290 HA CYS 19 HA CYS 19 5.365 -8.547 0.852 291 HB2 CYS 19 HB2 CYS 19 2.779 -7.698 -0.398 292 HB3 CYS 19 HB1 CYS 19 2.920 -9.359 0.179 293 H GLY 20 H GLY 20 3.594 -8.788 -2.245 294 HA2 GLY 20 HA2 GLY 20 4.674 -9.941 -4.175 295 HA3 GLY 20 HA1 GLY 20 5.463 -10.998 -3.004 296 H GLU 21 H GLU 21 4.574 -12.997 -3.240 297 HA GLU 21 HA GLU 21 1.723 -13.280 -3.940 298 HB2 GLU 21 HB2 GLU 21 3.892 -14.734 -4.648 299 HB3 GLU 21 HB1 GLU 21 3.347 -15.672 -3.257 300 HG2 GLU 21 HG2 GLU 21 1.411 -16.332 -4.288 301 HG3 GLU 21 HG1 GLU 21 1.239 -14.813 -5.168 302 H ARG 22 H ARG 22 2.578 -12.224 -1.259 303 HA ARG 22 HA ARG 22 1.843 -14.386 0.600 304 HB2 ARG 22 HB2 ARG 22 3.455 -12.222 0.891 305 HB3 ARG 22 HB1 ARG 22 1.955 -11.581 1.561 306 HG2 ARG 22 HG2 ARG 22 1.949 -13.983 2.768 307 HG3 ARG 22 HG1 ARG 22 3.690 -13.781 2.568 308 HD2 ARG 22 HD2 ARG 22 2.105 -11.470 3.621 309 HD3 ARG 22 HD1 ARG 22 2.454 -12.815 4.708 310 HE ARG 22 HE ARG 22 4.571 -11.221 3.317 311 HH11 ARG 22 HH21 ARG 22 4.778 -14.059 4.747 312 HH12 ARG 22 HH22 ARG 22 5.597 -13.565 6.191 313 HH21 ARG 22 HH11 ARG 22 5.023 -10.184 5.678 314 HH22 ARG 22 HH12 ARG 22 5.734 -11.372 6.719 315 H GLY 23 H GLY 23 0.002 -12.932 -1.500 316 HA2 GLY 23 HA2 GLY 23 -2.315 -12.546 -1.585 317 HA3 GLY 23 HA1 GLY 23 -2.413 -13.164 0.065 318 H ALA 24 H ALA 24 -3.470 -10.636 -1.397 319 HA ALA 24 HA ALA 24 -3.283 -8.888 0.896 320 HB1 ALA 24 HB1 ALA 24 -1.170 -8.683 -0.980 321 HB2 ALA 24 HB2 ALA 24 -1.529 -7.586 0.354 322 HB3 ALA 24 HB3 ALA 24 -2.211 -7.285 -1.245 323 H PHE 25 H PHE 25 -5.445 -8.409 0.830 324 HA PHE 25 HA PHE 25 -6.487 -7.229 -1.699 325 HB2 PHE 25 HB2 PHE 25 -8.750 -8.204 -0.842 326 HB3 PHE 25 HB1 PHE 25 -7.610 -9.290 -1.637 327 HD1 PHE 25 HD2 PHE 25 -6.270 -10.894 -0.335 328 HD2 PHE 25 HD1 PHE 25 -9.150 -8.322 1.554 329 HE1 PHE 25 HE2 PHE 25 -6.171 -12.289 1.714 330 HE2 PHE 25 HE1 PHE 25 -9.050 -9.718 3.604 331 HZ PHE 25 HZ PHE 25 -7.561 -11.702 3.683 332 H TYR 26 H TYR 26 -8.202 -5.624 -1.358 333 HA TYR 26 HA TYR 26 -8.158 -4.474 1.402 334 HB2 TYR 26 HB2 TYR 26 -8.586 -2.260 0.005 335 HB3 TYR 26 HB1 TYR 26 -6.947 -2.864 0.252 336 HD1 TYR 26 HD2 TYR 26 -5.849 -4.257 -1.537 337 HD2 TYR 26 HD1 TYR 26 -9.576 -2.210 -2.169 338 HE1 TYR 26 HE2 TYR 26 -5.566 -4.498 -3.991 339 HE2 TYR 26 HE1 TYR 26 -9.293 -2.452 -4.623 340 HH TYR 26 HH TYR 26 -7.935 -3.103 -6.259 341 H THR 27 H THR 27 -10.050 -5.435 -1.327 342 HA THR 27 HA THR 27 -12.493 -4.538 0.142 343 HB THR 27 HB THR 27 -13.572 -4.091 -2.047 344 HG1 THR 27 HG1 THR 27 -10.959 -4.598 -3.024 345 HG21 THR 27 HG21 THR 27 -11.340 -2.606 -0.902 346 HG22 THR 27 HG22 THR 27 -12.886 -2.013 -1.506 347 HG23 THR 27 HG23 THR 27 -11.545 -2.271 -2.621 348 H LYS 28 H LYS 28 -14.473 -5.805 -0.711 349 HA LYS 28 HA LYS 28 -13.887 -8.445 -1.846 350 HB2 LYS 28 HB2 LYS 28 -15.035 -9.529 0.225 351 HB3 LYS 28 HB1 LYS 28 -13.334 -9.081 0.356 352 HG2 LYS 28 HG2 LYS 28 -13.893 -7.029 1.507 353 HG3 LYS 28 HG1 LYS 28 -15.614 -7.284 1.222 354 HD2 LYS 28 HD2 LYS 28 -15.534 -8.167 3.333 355 HD3 LYS 28 HD1 LYS 28 -15.017 -9.611 2.461 356 HE2 LYS 28 HE2 LYS 28 -12.706 -8.001 2.837 357 HE3 LYS 28 HE1 LYS 28 -13.546 -8.067 4.386 358 HZ1 LYS 28 HZ1 LYS 28 -13.045 -10.485 2.757 359 HZ2 LYS 28 HZ2 LYS 28 -13.481 -10.394 4.396 360 HZ3 LYS 28 HZ3 LYS 28 -11.926 -9.921 3.899 361 HA PRO 29 HA PRO 29 -18.120 -6.774 -2.620 362 HB2 PRO 29 HB2 PRO 29 -17.906 -6.871 -5.361 363 HB3 PRO 29 HB1 PRO 29 -17.440 -5.464 -4.389 364 HG2 PRO 29 HG2 PRO 29 -15.699 -7.478 -5.735 365 HG3 PRO 29 HG1 PRO 29 -15.349 -5.792 -5.317 366 HD2 PRO 29 HD2 PRO 29 -14.460 -8.068 -3.889 367 HD3 PRO 29 HD1 PRO 29 -14.411 -6.389 -3.312 368 H THR 30 H THR 30 -18.534 -9.024 -1.710 369 HA THR 30 HA THR 30 -19.726 -10.711 -3.787 370 HB THR 30 HB THR 30 -17.570 -11.700 -3.929 371 HG1 THR 30 HG1 THR 30 -18.588 -13.508 -3.677 372 HG21 THR 30 HG21 THR 30 -17.310 -10.683 -1.277 373 HG22 THR 30 HG22 THR 30 -16.051 -11.362 -2.310 374 HG23 THR 30 HG23 THR 30 -16.966 -12.413 -1.228 Start of MODEL 14 1 H1 GLY 1 HT1 GLY 1 -10.596 4.222 5.971 2 H2 GLY 1 HT2 GLY 1 -9.509 2.943 6.234 3 H3 GLY 1 HT3 GLY 1 -10.270 3.116 4.726 4 HA2 GLY 1 HA1 GLY 1 -8.569 4.414 4.093 5 HA3 GLY 1 HA2 GLY 1 -8.964 5.603 5.371 6 H ILE 2 H ILE 2 -7.851 2.179 4.569 7 HA ILE 2 HA ILE 2 -5.387 2.194 5.942 8 HB ILE 2 HB ILE 2 -6.341 0.133 5.042 9 HG12 ILE 2 HG12 ILE 2 -4.085 -0.196 3.392 10 HG13 ILE 2 HG11 ILE 2 -3.610 1.008 4.590 11 HG21 ILE 2 HG21 ILE 2 -5.758 1.404 2.351 12 HG22 ILE 2 HG22 ILE 2 -7.349 1.017 3.008 13 HG23 ILE 2 HG23 ILE 2 -6.233 -0.279 2.577 14 HD11 ILE 2 HD11 ILE 2 -5.105 -1.066 5.899 15 HD12 ILE 2 HD12 ILE 2 -3.427 -0.589 6.163 16 HD13 ILE 2 HD13 ILE 2 -3.818 -1.804 4.945 17 H VAL 3 H VAL 3 -6.246 3.523 2.809 18 HA VAL 3 HA VAL 3 -3.391 4.272 2.354 19 HB VAL 3 HB VAL 3 -4.187 4.859 0.049 20 HG11 VAL 3 HG11 VAL 3 -4.892 2.352 -0.447 21 HG12 VAL 3 HG12 VAL 3 -4.419 2.121 1.236 22 HG13 VAL 3 HG13 VAL 3 -3.251 2.740 0.069 23 HG21 VAL 3 HG21 VAL 3 -6.684 3.333 0.398 24 HG22 VAL 3 HG22 VAL 3 -6.389 4.813 -0.515 25 HG23 VAL 3 HG23 VAL 3 -6.673 4.891 1.224 26 H GLU 4 H GLU 4 -6.193 5.518 3.671 27 HA GLU 4 HA GLU 4 -6.661 8.049 2.749 28 HB2 GLU 4 HB2 GLU 4 -7.126 8.752 5.033 29 HB3 GLU 4 HB1 GLU 4 -7.645 7.078 4.832 30 HG2 GLU 4 HG2 GLU 4 -6.371 6.580 6.624 31 HG3 GLU 4 HG1 GLU 4 -4.967 6.879 5.598 32 H GLN 5 H GLN 5 -3.655 6.952 4.191 33 HA GLN 5 HA GLN 5 -2.625 9.748 4.078 34 HB2 GLN 5 HB2 GLN 5 -0.592 8.345 5.220 35 HB3 GLN 5 HB1 GLN 5 -1.889 9.105 6.141 36 HG2 GLN 5 HG2 GLN 5 -3.169 6.983 6.069 37 HG3 GLN 5 HG1 GLN 5 -1.847 6.224 5.184 38 HE21 GLN 5 HE21 GLN 5 0.051 5.610 6.369 39 HE22 GLN 5 HE22 GLN 5 0.160 5.749 8.058 40 H CYS 6 H CYS 6 -1.292 6.469 3.432 41 HA CYS 6 HA CYS 6 0.844 7.204 1.817 42 HB2 CYS 6 HB2 CYS 6 -1.002 4.869 1.249 43 HB3 CYS 6 HB1 CYS 6 0.688 5.015 0.770 44 H CYS 7 H CYS 7 -2.577 7.204 0.982 45 HA CYS 7 HA CYS 7 -2.069 7.635 -1.860 46 HB2 CYS 7 HB2 CYS 7 -4.419 7.322 -0.118 47 HB3 CYS 7 HB1 CYS 7 -4.649 8.448 -1.448 48 H THR 8 H THR 8 -3.618 9.687 0.646 49 HA THR 8 HA THR 8 -3.384 12.092 -0.915 50 HB THR 8 HB THR 8 -4.989 11.762 0.992 51 HG1 THR 8 HG1 THR 8 -3.356 13.942 1.632 52 HG21 THR 8 HG21 THR 8 -2.608 12.328 2.764 53 HG22 THR 8 HG22 THR 8 -3.180 10.690 2.450 54 HG23 THR 8 HG23 THR 8 -4.237 11.854 3.248 55 H SER 9 H SER 9 -1.440 10.795 1.788 56 HA SER 9 HA SER 9 0.687 12.750 1.019 57 HB2 SER 9 HB2 SER 9 1.377 11.905 3.532 58 HB3 SER 9 HB1 SER 9 0.493 13.383 3.182 59 HG SER 9 HG SER 9 -0.703 10.840 3.595 60 H ILE 10 H ILE 10 2.796 11.582 2.411 61 HA ILE 10 HA ILE 10 3.105 9.012 0.918 62 HB ILE 10 HB ILE 10 5.496 10.478 1.920 63 HG12 ILE 10 HG12 ILE 10 3.896 12.233 0.972 64 HG13 ILE 10 HG11 ILE 10 5.462 12.124 0.172 65 HG21 ILE 10 HG21 ILE 10 4.824 9.175 -0.734 66 HG22 ILE 10 HG22 ILE 10 5.587 8.346 0.623 67 HG23 ILE 10 HG23 ILE 10 6.424 9.671 -0.185 68 HD11 ILE 10 HD11 ILE 10 3.488 12.234 -1.406 69 HD12 ILE 10 HD12 ILE 10 2.997 10.654 -0.795 70 HD13 ILE 10 HD13 ILE 10 4.535 10.834 -1.640 71 H CYS 11 H CYS 11 3.430 7.206 2.123 72 HA CYS 11 HA CYS 11 4.127 7.577 5.011 73 HB2 CYS 11 HB2 CYS 11 2.929 5.466 5.422 74 HB3 CYS 11 HB1 CYS 11 1.866 6.629 4.631 75 H SER 12 H SER 12 4.862 4.998 5.652 76 HA SER 12 HA SER 12 7.399 4.762 4.151 77 HB2 SER 12 HB2 SER 12 7.464 2.800 6.058 78 HB3 SER 12 HB1 SER 12 8.037 4.446 6.302 79 HG SER 12 HG SER 12 6.524 3.789 7.901 80 H LEU 13 H LEU 13 7.670 3.249 2.578 81 HA LEU 13 HA LEU 13 5.540 1.611 1.685 82 HB2 LEU 13 HB2 LEU 13 7.046 0.704 0.110 83 HB3 LEU 13 HB1 LEU 13 7.648 2.332 0.405 84 HG LEU 13 HG LEU 13 8.672 -0.127 1.844 85 HD11 LEU 13 HD11 LEU 13 9.677 1.329 -0.614 86 HD12 LEU 13 HD12 LEU 13 9.271 -0.381 -0.468 87 HD13 LEU 13 HD13 LEU 13 10.697 0.259 0.347 88 HD21 LEU 13 HD21 LEU 13 9.277 1.669 3.190 89 HD22 LEU 13 HD22 LEU 13 9.319 2.800 1.838 90 HD23 LEU 13 HD23 LEU 13 10.637 1.652 2.069 91 H TYR 14 H TYR 14 7.837 1.087 4.222 92 HA TYR 14 HA TYR 14 7.383 -1.811 4.238 93 HB2 TYR 14 HB2 TYR 14 8.610 -1.646 6.493 94 HB3 TYR 14 HB1 TYR 14 9.534 -1.232 5.052 95 HD1 TYR 14 HD1 TYR 14 7.734 0.143 7.985 96 HD2 TYR 14 HD2 TYR 14 10.293 1.015 4.643 97 HE1 TYR 14 HE1 TYR 14 8.211 2.385 8.935 98 HE2 TYR 14 HE2 TYR 14 10.767 3.258 5.593 99 HH TYR 14 HH TYR 14 8.987 4.531 8.280 100 H GLN 15 H GLN 15 6.126 1.040 5.782 101 HA GLN 15 HA GLN 15 4.595 -0.405 7.782 102 HB2 GLN 15 HB2 GLN 15 4.057 1.683 8.549 103 HB3 GLN 15 HB1 GLN 15 5.385 2.175 7.522 104 HG2 GLN 15 HG2 GLN 15 3.864 2.752 5.725 105 HG3 GLN 15 HG1 GLN 15 2.495 2.083 6.615 106 HE21 GLN 15 HE21 GLN 15 1.400 4.182 6.698 107 HE22 GLN 15 HE22 GLN 15 1.968 5.430 7.699 108 H LEU 16 H LEU 16 4.249 0.498 4.478 109 HA LEU 16 HA LEU 16 1.371 0.122 4.383 110 HB2 LEU 16 HB2 LEU 16 1.572 1.060 2.335 111 HB3 LEU 16 HB1 LEU 16 3.270 1.300 2.727 112 HG LEU 16 HG LEU 16 3.655 -1.067 1.817 113 HD11 LEU 16 HD11 LEU 16 0.764 -0.689 1.370 114 HD12 LEU 16 HD12 LEU 16 1.702 -2.176 1.484 115 HD13 LEU 16 HD13 LEU 16 1.647 -1.286 -0.035 116 HD21 LEU 16 HD21 LEU 16 3.798 1.358 0.635 117 HD22 LEU 16 HD22 LEU 16 2.598 0.597 -0.409 118 HD23 LEU 16 HD23 LEU 16 4.189 -0.138 -0.212 119 H GLU 17 H GLU 17 4.192 -1.902 4.032 120 HA GLU 17 HA GLU 17 3.102 -4.099 2.638 121 HB2 GLU 17 HB2 GLU 17 4.797 -5.426 3.679 122 HB3 GLU 17 HB1 GLU 17 5.484 -3.810 3.516 123 HG2 GLU 17 HG2 GLU 17 5.967 -4.039 5.726 124 HG3 GLU 17 HG1 GLU 17 4.268 -3.623 5.955 125 H ASN 18 H ASN 18 2.443 -2.860 5.779 126 HA ASN 18 HA ASN 18 1.294 -5.210 6.973 127 HB2 ASN 18 HB2 ASN 18 1.917 -2.747 7.908 128 HB3 ASN 18 HB1 ASN 18 0.173 -2.565 7.720 129 HD21 ASN 18 HD21 ASN 18 2.087 -5.472 8.648 130 HD22 ASN 18 HD22 ASN 18 1.299 -5.699 10.135 131 H TYR 19 H TYR 19 0.235 -3.413 4.341 132 HA TYR 19 HA TYR 19 -2.632 -3.613 4.875 133 HB2 TYR 19 HB2 TYR 19 -1.248 -3.069 2.238 134 HB3 TYR 19 HB1 TYR 19 -2.922 -2.707 2.652 135 HD1 TYR 19 HD2 TYR 19 -1.543 -2.041 5.642 136 HD2 TYR 19 HD1 TYR 19 -1.341 -0.518 1.627 137 HE1 TYR 19 HE2 TYR 19 -0.847 0.170 6.515 138 HE2 TYR 19 HE1 TYR 19 -0.642 1.693 2.503 139 HH TYR 19 HH TYR 19 0.640 2.335 5.070 140 H CYS 20 H CYS 20 -0.283 -5.830 4.017 141 HA CYS 20 HA CYS 20 -1.832 -7.380 2.096 142 HB2 CYS 20 HB2 CYS 20 0.461 -8.389 3.785 143 HB3 CYS 20 HB1 CYS 20 -0.056 -8.967 2.202 144 H ASN 21 H ASN 21 -2.001 -6.920 5.443 145 HA ASN 21 HA ASN 21 -3.080 -9.629 5.973 146 HB2 ASN 21 HB2 ASN 21 -2.271 -7.288 7.672 147 HB3 ASN 21 HB1 ASN 21 -3.385 -8.488 8.330 148 HD21 ASN 21 HD21 ASN 21 -0.760 -9.193 6.011 149 HD22 ASN 21 HD22 ASN 21 0.138 -10.165 7.075 150 H1 PHE 1 HT1 PHE 1 10.929 2.708 -5.919 151 H2 PHE 1 HT2 PHE 1 10.234 1.168 -5.735 152 H3 PHE 1 HT3 PHE 1 11.428 1.700 -4.650 153 HA PHE 1 HA PHE 1 8.647 2.686 -4.917 154 HB2 PHE 1 HB2 PHE 1 9.502 0.623 -3.467 155 HB3 PHE 1 HB1 PHE 1 9.977 1.910 -2.360 156 HD1 PHE 1 HD2 PHE 1 7.886 3.935 -2.782 157 HD2 PHE 1 HD1 PHE 1 7.568 -0.345 -2.540 158 HE1 PHE 1 HE2 PHE 1 5.540 4.151 -2.010 159 HE2 PHE 1 HE1 PHE 1 5.224 -0.128 -1.769 160 HZ PHE 1 HZ PHE 1 4.207 2.121 -1.504 161 H VAL 2 H VAL 2 9.279 4.865 -5.435 162 HA VAL 2 HA VAL 2 11.111 6.272 -3.619 163 HB VAL 2 HB VAL 2 10.493 8.261 -5.034 164 HG11 VAL 2 HG11 VAL 2 11.902 7.602 -6.773 165 HG12 VAL 2 HG12 VAL 2 11.200 5.987 -6.864 166 HG13 VAL 2 HG13 VAL 2 12.291 6.401 -5.542 167 HG21 VAL 2 HG21 VAL 2 9.301 6.841 -7.199 168 HG22 VAL 2 HG22 VAL 2 8.604 8.156 -6.253 169 HG23 VAL 2 HG23 VAL 2 8.360 6.484 -5.750 170 H ASN 3 H ASN 3 9.987 8.697 -3.192 171 HA ASN 3 HA ASN 3 7.670 8.023 -1.443 172 HB2 ASN 3 HB2 ASN 3 9.477 10.459 -1.405 173 HB3 ASN 3 HB1 ASN 3 8.247 10.057 -0.208 174 HD21 ASN 3 HD21 ASN 3 8.959 8.835 1.554 175 HD22 ASN 3 HD22 ASN 3 10.405 7.946 1.595 176 H GLN 4 H GLN 4 5.845 8.308 -2.719 177 HA GLN 4 HA GLN 4 5.190 11.040 -3.507 178 HB2 GLN 4 HB2 GLN 4 4.664 10.296 -5.891 179 HB3 GLN 4 HB1 GLN 4 6.376 10.474 -5.506 180 HG2 GLN 4 HG2 GLN 4 6.604 8.080 -5.167 181 HG3 GLN 4 HG1 GLN 4 4.867 7.849 -5.373 182 HE21 GLN 4 HE21 GLN 4 4.336 9.448 -7.618 183 HE22 GLN 4 HE22 GLN 4 5.192 8.854 -8.959 184 H HIS 5 H HIS 5 2.913 11.107 -4.369 185 HA HIS 5 HA HIS 5 1.183 9.467 -2.748 186 HB2 HIS 5 HB2 HIS 5 0.352 11.106 -5.151 187 HB3 HIS 5 HB1 HIS 5 -0.625 10.680 -3.747 188 HD2 HIS 5 HD2 HIS 5 2.164 13.242 -4.746 189 HE1 HIS 5 HE1 HIS 5 0.856 14.144 -0.828 190 HE2 HIS 5 HE2 HIS 5 2.299 14.937 -2.776 191 H LEU 6 H LEU 6 0.011 7.639 -3.322 192 HA LEU 6 HA LEU 6 -0.071 6.800 -6.131 193 HB2 LEU 6 HB2 LEU 6 0.921 4.594 -5.692 194 HB3 LEU 6 HB1 LEU 6 2.075 5.883 -5.400 195 HG LEU 6 HG LEU 6 2.283 4.269 -3.633 196 HD11 LEU 6 HD11 LEU 6 2.275 5.700 -1.837 197 HD12 LEU 6 HD12 LEU 6 0.668 6.323 -2.204 198 HD13 LEU 6 HD13 LEU 6 2.061 6.871 -3.138 199 HD21 LEU 6 HD21 LEU 6 -0.411 3.798 -4.009 200 HD22 LEU 6 HD22 LEU 6 -0.358 4.579 -2.427 201 HD23 LEU 6 HD23 LEU 6 0.582 3.119 -2.722 202 H CYS 7 H CYS 7 -1.751 5.377 -6.562 203 HA CYS 7 HA CYS 7 -3.294 4.174 -4.366 204 HB2 CYS 7 HB2 CYS 7 -4.606 6.210 -6.192 205 HB3 CYS 7 HB1 CYS 7 -5.374 5.320 -4.879 206 H GLY 8 H GLY 8 -5.365 3.135 -5.408 207 HA2 GLY 8 HA2 GLY 8 -6.155 1.490 -6.875 208 HA3 GLY 8 HA1 GLY 8 -5.633 2.596 -8.143 209 H SER 9 H SER 9 -4.639 1.278 -9.585 210 HA SER 9 HA SER 9 -3.242 -1.105 -9.074 211 HB2 SER 9 HB2 SER 9 -1.939 -0.044 -11.274 212 HB3 SER 9 HB1 SER 9 -3.422 -0.991 -11.326 213 HG SER 9 HG SER 9 -3.322 1.268 -12.288 214 H ASP 10 H ASP 10 -2.280 2.136 -8.457 215 HA ASP 10 HA ASP 10 0.584 1.548 -8.468 216 HB2 ASP 10 HB2 ASP 10 -0.842 3.896 -7.196 217 HB3 ASP 10 HB1 ASP 10 0.866 3.803 -7.619 218 H LEU 11 H LEU 11 -2.036 1.437 -6.183 219 HA LEU 11 HA LEU 11 -0.388 1.347 -3.813 220 HB2 LEU 11 HB2 LEU 11 -3.228 0.706 -4.459 221 HB3 LEU 11 HB1 LEU 11 -2.544 -0.046 -3.020 222 HG LEU 11 HG LEU 11 -2.227 2.906 -3.536 223 HD11 LEU 11 HD11 LEU 11 -4.502 1.481 -2.127 224 HD12 LEU 11 HD12 LEU 11 -4.626 2.500 -3.562 225 HD13 LEU 11 HD13 LEU 11 -4.191 3.212 -2.009 226 HD21 LEU 11 HD21 LEU 11 -1.747 2.990 -1.191 227 HD22 LEU 11 HD22 LEU 11 -0.843 1.614 -1.823 228 HD23 LEU 11 HD23 LEU 11 -2.348 1.351 -0.943 229 H VAL 12 H VAL 12 -1.367 -0.962 -6.235 230 HA VAL 12 HA VAL 12 -0.395 -3.230 -4.648 231 HB VAL 12 HB VAL 12 -0.577 -4.477 -6.844 232 HG11 VAL 12 HG11 VAL 12 -3.101 -4.414 -6.790 233 HG12 VAL 12 HG12 VAL 12 -2.972 -3.074 -5.649 234 HG13 VAL 12 HG13 VAL 12 -2.333 -4.661 -5.221 235 HG21 VAL 12 HG21 VAL 12 -1.800 -3.413 -8.655 236 HG22 VAL 12 HG22 VAL 12 -0.355 -2.473 -8.284 237 HG23 VAL 12 HG23 VAL 12 -1.933 -1.922 -7.723 238 H GLU 13 H GLU 13 0.760 -1.258 -7.403 239 HA GLU 13 HA GLU 13 3.092 -2.640 -8.020 240 HB2 GLU 13 HB2 GLU 13 3.854 -0.680 -8.995 241 HB3 GLU 13 HB1 GLU 13 2.164 -0.240 -8.778 242 HG2 GLU 13 HG2 GLU 13 2.958 0.628 -6.436 243 HG3 GLU 13 HG1 GLU 13 4.561 0.615 -7.172 244 H ALA 14 H ALA 14 2.287 -0.755 -5.240 245 HA ALA 14 HA ALA 14 4.916 -0.901 -3.985 246 HB1 ALA 14 HB1 ALA 14 3.731 0.982 -3.285 247 HB2 ALA 14 HB2 ALA 14 3.373 -0.143 -1.975 248 HB3 ALA 14 HB3 ALA 14 2.194 0.120 -3.258 249 H LEU 15 H LEU 15 1.729 -2.109 -3.019 250 HA LEU 15 HA LEU 15 2.674 -4.021 -1.123 251 HB2 LEU 15 HB2 LEU 15 0.118 -3.443 -2.531 252 HB3 LEU 15 HB1 LEU 15 0.288 -5.064 -1.859 253 HG LEU 15 HG LEU 15 1.267 -3.306 0.111 254 HD11 LEU 15 HD11 LEU 15 -0.625 -1.788 0.480 255 HD12 LEU 15 HD12 LEU 15 -1.415 -2.391 -0.976 256 HD13 LEU 15 HD13 LEU 15 0.090 -1.480 -1.102 257 HD21 LEU 15 HD21 LEU 15 -1.439 -4.105 0.645 258 HD22 LEU 15 HD22 LEU 15 0.051 -4.785 1.296 259 HD23 LEU 15 HD23 LEU 15 -0.619 -5.412 -0.211 260 H TYR 16 H TYR 16 2.860 -4.038 -4.469 261 HA TYR 16 HA TYR 16 2.527 -6.871 -4.975 262 HB2 TYR 16 HB2 TYR 16 2.040 -5.622 -6.868 263 HB3 TYR 16 HB1 TYR 16 3.294 -4.436 -6.534 264 HD1 TYR 16 HD1 TYR 16 3.063 -8.111 -7.253 265 HD2 TYR 16 HD2 TYR 16 5.091 -4.390 -7.945 266 HE1 TYR 16 HE1 TYR 16 4.615 -9.250 -8.827 267 HE2 TYR 16 HE2 TYR 16 6.645 -5.521 -9.518 268 HH TYR 16 HH TYR 16 7.383 -7.555 -10.228 269 H LEU 17 H LEU 17 5.328 -4.655 -4.753 270 HA LEU 17 HA LEU 17 7.099 -7.034 -4.882 271 HB2 LEU 17 HB2 LEU 17 8.801 -4.900 -4.647 272 HB3 LEU 17 HB1 LEU 17 8.273 -5.613 -6.163 273 HG LEU 17 HG LEU 17 6.312 -4.011 -6.122 274 HD11 LEU 17 HD11 LEU 17 7.658 -2.073 -4.440 275 HD12 LEU 17 HD12 LEU 17 7.283 -3.532 -3.524 276 HD13 LEU 17 HD13 LEU 17 5.996 -2.655 -4.351 277 HD21 LEU 17 HD21 LEU 17 9.152 -2.968 -6.237 278 HD22 LEU 17 HD22 LEU 17 7.754 -2.041 -6.781 279 HD23 LEU 17 HD23 LEU 17 8.173 -3.557 -7.579 280 H VAL 18 H VAL 18 5.650 -5.074 -2.544 281 HA VAL 18 HA VAL 18 7.818 -5.375 -0.578 282 HB VAL 18 HB VAL 18 6.428 -4.201 0.949 283 HG11 VAL 18 HG11 VAL 18 5.239 -2.522 -0.874 284 HG12 VAL 18 HG12 VAL 18 6.499 -3.285 -1.844 285 HG13 VAL 18 HG13 VAL 18 6.925 -2.421 -0.367 286 HG21 VAL 18 HG21 VAL 18 3.985 -3.787 0.365 287 HG22 VAL 18 HG22 VAL 18 4.392 -5.445 0.813 288 HG23 VAL 18 HG23 VAL 18 4.173 -5.017 -0.883 289 H CYS 19 H CYS 19 4.639 -6.749 -1.214 290 HA CYS 19 HA CYS 19 5.159 -8.833 0.851 291 HB2 CYS 19 HB2 CYS 19 2.691 -7.673 -0.373 292 HB3 CYS 19 HB1 CYS 19 2.637 -9.352 0.162 293 H GLY 20 H GLY 20 3.851 -8.561 -2.475 294 HA2 GLY 20 HA2 GLY 20 4.745 -9.941 -4.288 295 HA3 GLY 20 HA1 GLY 20 5.198 -11.151 -3.086 296 H GLU 21 H GLU 21 3.742 -12.760 -2.613 297 HA GLU 21 HA GLU 21 0.957 -12.430 -3.650 298 HB2 GLU 21 HB2 GLU 21 2.726 -14.010 -4.915 299 HB3 GLU 21 HB1 GLU 21 2.186 -15.145 -3.677 300 HG2 GLU 21 HG2 GLU 21 0.096 -15.326 -4.569 301 HG3 GLU 21 HG1 GLU 21 0.027 -13.617 -5.001 302 H ARG 22 H ARG 22 2.253 -12.231 -0.917 303 HA ARG 22 HA ARG 22 1.488 -14.554 0.605 304 HB2 ARG 22 HB2 ARG 22 1.733 -11.688 1.569 305 HB3 ARG 22 HB1 ARG 22 1.816 -13.144 2.561 306 HG2 ARG 22 HG2 ARG 22 3.705 -12.889 0.254 307 HG3 ARG 22 HG1 ARG 22 4.034 -11.957 1.716 308 HD2 ARG 22 HD2 ARG 22 3.709 -14.145 3.006 309 HD3 ARG 22 HD1 ARG 22 3.789 -14.957 1.442 310 HE ARG 22 HE ARG 22 6.025 -13.439 2.699 311 HH11 ARG 22 HH21 ARG 22 5.220 -16.374 1.423 312 HH12 ARG 22 HH22 ARG 22 6.536 -16.477 0.301 313 HH21 ARG 22 HH11 ARG 22 7.525 -13.184 0.752 314 HH22 ARG 22 HH12 ARG 22 7.841 -14.671 -0.079 315 H GLY 23 H GLY 23 -0.346 -12.120 -0.901 316 HA2 GLY 23 HA2 GLY 23 -2.855 -12.947 -0.669 317 HA3 GLY 23 HA1 GLY 23 -2.612 -12.415 0.996 318 H ALA 24 H ALA 24 -4.570 -11.086 -0.207 319 HA ALA 24 HA ALA 24 -3.894 -8.373 -0.076 320 HB1 ALA 24 HB1 ALA 24 -3.087 -9.599 -2.585 321 HB2 ALA 24 HB2 ALA 24 -2.763 -7.972 -1.986 322 HB3 ALA 24 HB3 ALA 24 -4.259 -8.310 -2.856 323 H PHE 25 H PHE 25 -5.837 -7.393 0.216 324 HA PHE 25 HA PHE 25 -8.228 -8.664 -1.025 325 HB2 PHE 25 HB2 PHE 25 -9.526 -7.824 0.817 326 HB3 PHE 25 HB1 PHE 25 -8.099 -8.607 1.496 327 HD1 PHE 25 HD2 PHE 25 -6.065 -7.132 2.053 328 HD2 PHE 25 HD1 PHE 25 -9.987 -5.556 1.271 329 HE1 PHE 25 HE2 PHE 25 -5.435 -5.010 3.173 330 HE2 PHE 25 HE1 PHE 25 -9.357 -3.434 2.392 331 HZ PHE 25 HZ PHE 25 -7.082 -3.161 3.343 332 H TYR 26 H TYR 26 -10.005 -6.562 -0.633 333 HA TYR 26 HA TYR 26 -10.809 -4.844 -2.024 334 HB2 TYR 26 HB2 TYR 26 -9.991 -2.799 -1.310 335 HB3 TYR 26 HB1 TYR 26 -9.599 -3.868 0.022 336 HD1 TYR 26 HD2 TYR 26 -7.253 -4.725 0.291 337 HD2 TYR 26 HD1 TYR 26 -8.277 -1.729 -2.614 338 HE1 TYR 26 HE2 TYR 26 -4.857 -4.125 0.067 339 HE2 TYR 26 HE1 TYR 26 -5.881 -1.128 -2.837 340 HH TYR 26 HH TYR 26 -3.793 -1.659 -2.275 341 H THR 27 H THR 27 -8.990 -6.700 -3.383 342 HA THR 27 HA THR 27 -8.381 -4.980 -5.700 343 HB THR 27 HB THR 27 -6.287 -4.997 -4.343 344 HG1 THR 27 HG1 THR 27 -6.509 -6.149 -6.868 345 HG21 THR 27 HG21 THR 27 -7.006 -7.668 -3.902 346 HG22 THR 27 HG22 THR 27 -5.509 -6.885 -3.395 347 HG23 THR 27 HG23 THR 27 -5.576 -7.750 -4.931 348 H LYS 28 H LYS 28 -8.962 -6.056 -7.534 349 HA LYS 28 HA LYS 28 -8.983 -9.041 -7.458 350 HB2 LYS 28 HB2 LYS 28 -11.174 -7.257 -8.567 351 HB3 LYS 28 HB1 LYS 28 -11.133 -9.017 -8.684 352 HG2 LYS 28 HG2 LYS 28 -10.755 -8.693 -6.009 353 HG3 LYS 28 HG1 LYS 28 -11.773 -7.295 -6.363 354 HD2 LYS 28 HD2 LYS 28 -13.564 -8.603 -7.066 355 HD3 LYS 28 HD1 LYS 28 -12.532 -9.969 -7.492 356 HE2 LYS 28 HE2 LYS 28 -12.626 -10.837 -5.401 357 HE3 LYS 28 HE1 LYS 28 -12.406 -9.259 -4.644 358 HZ1 LYS 28 HZ1 LYS 28 -14.614 -8.908 -4.516 359 HZ2 LYS 28 HZ2 LYS 28 -14.683 -10.606 -4.550 360 HZ3 LYS 28 HZ3 LYS 28 -14.953 -9.712 -5.970 361 HA PRO 29 HA PRO 29 -6.858 -7.411 -11.214 362 HB2 PRO 29 HB2 PRO 29 -4.567 -8.885 -10.840 363 HB3 PRO 29 HB1 PRO 29 -4.811 -7.265 -10.164 364 HG2 PRO 29 HG2 PRO 29 -4.886 -9.908 -8.781 365 HG3 PRO 29 HG1 PRO 29 -4.491 -8.310 -8.126 366 HD2 PRO 29 HD2 PRO 29 -6.955 -9.665 -7.810 367 HD3 PRO 29 HD1 PRO 29 -6.656 -7.947 -7.464 368 H THR 30 H THR 30 -8.865 -9.173 -11.546 369 HA THR 30 HA THR 30 -7.584 -11.445 -13.006 370 HB THR 30 HB THR 30 -9.370 -12.925 -12.309 371 HG1 THR 30 HG1 THR 30 -10.462 -10.516 -11.447 372 HG21 THR 30 HG21 THR 30 -8.965 -11.833 -9.645 373 HG22 THR 30 HG22 THR 30 -7.469 -11.830 -10.577 374 HG23 THR 30 HG23 THR 30 -8.357 -13.335 -10.339 Start of MODEL 15 1 H1 GLY 1 HT1 GLY 1 -9.560 3.383 6.114 2 H2 GLY 1 HT2 GLY 1 -10.463 4.026 4.827 3 H3 GLY 1 HT3 GLY 1 -10.443 4.816 6.331 4 HA2 GLY 1 HA1 GLY 1 -8.627 5.154 4.241 5 HA3 GLY 1 HA2 GLY 1 -8.734 6.108 5.752 6 H ILE 2 H ILE 2 -8.185 2.844 4.126 7 HA ILE 2 HA ILE 2 -5.640 2.252 5.214 8 HB ILE 2 HB ILE 2 -7.149 0.681 3.909 9 HG12 ILE 2 HG12 ILE 2 -5.170 -0.460 2.768 10 HG13 ILE 2 HG11 ILE 2 -4.204 0.937 3.250 11 HG21 ILE 2 HG21 ILE 2 -7.347 2.401 1.995 12 HG22 ILE 2 HG22 ILE 2 -7.131 0.711 1.539 13 HG23 ILE 2 HG23 ILE 2 -5.762 1.821 1.482 14 HD11 ILE 2 HD11 ILE 2 -4.617 -1.297 4.805 15 HD12 ILE 2 HD12 ILE 2 -5.830 -0.181 5.429 16 HD13 ILE 2 HD13 ILE 2 -4.129 0.281 5.420 17 H VAL 3 H VAL 3 -6.515 4.062 2.285 18 HA VAL 3 HA VAL 3 -3.634 4.676 1.847 19 HB VAL 3 HB VAL 3 -4.294 5.450 -0.346 20 HG11 VAL 3 HG11 VAL 3 -4.277 2.914 0.254 21 HG12 VAL 3 HG12 VAL 3 -4.986 3.412 -1.282 22 HG13 VAL 3 HG13 VAL 3 -6.029 3.029 0.086 23 HG21 VAL 3 HG21 VAL 3 -6.943 5.028 -0.736 24 HG22 VAL 3 HG22 VAL 3 -6.281 6.593 -0.269 25 HG23 VAL 3 HG23 VAL 3 -6.963 5.525 0.956 26 H GLU 4 H GLU 4 -6.091 5.904 3.626 27 HA GLU 4 HA GLU 4 -6.569 8.537 3.129 28 HB2 GLU 4 HB2 GLU 4 -6.568 8.965 5.519 29 HB3 GLU 4 HB1 GLU 4 -7.176 7.334 5.242 30 HG2 GLU 4 HG2 GLU 4 -4.777 6.527 5.600 31 HG3 GLU 4 HG1 GLU 4 -4.428 8.149 6.201 32 H GLN 5 H GLN 5 -3.415 7.190 3.911 33 HA GLN 5 HA GLN 5 -2.283 9.943 3.820 34 HB2 GLN 5 HB2 GLN 5 -0.165 8.373 4.524 35 HB3 GLN 5 HB1 GLN 5 -1.241 9.147 5.685 36 HG2 GLN 5 HG2 GLN 5 -2.673 7.083 5.640 37 HG3 GLN 5 HG1 GLN 5 -1.457 6.315 4.621 38 HE21 GLN 5 HE21 GLN 5 -1.575 4.859 6.766 39 HE22 GLN 5 HE22 GLN 5 -0.436 5.259 7.960 40 H CYS 6 H CYS 6 -1.030 6.728 2.861 41 HA CYS 6 HA CYS 6 0.781 7.479 0.938 42 HB2 CYS 6 HB2 CYS 6 -1.214 5.217 0.623 43 HB3 CYS 6 HB1 CYS 6 0.327 5.359 -0.222 44 H CYS 7 H CYS 7 -2.727 7.550 0.617 45 HA CYS 7 HA CYS 7 -2.567 8.240 -2.232 46 HB2 CYS 7 HB2 CYS 7 -4.670 7.516 -0.325 47 HB3 CYS 7 HB1 CYS 7 -5.141 8.777 -1.455 48 H THR 8 H THR 8 -2.792 9.920 0.836 49 HA THR 8 HA THR 8 -3.534 12.441 -0.533 50 HB THR 8 HB THR 8 -4.499 11.690 1.733 51 HG1 THR 8 HG1 THR 8 -4.980 13.713 1.707 52 HG21 THR 8 HG21 THR 8 -2.017 11.224 2.504 53 HG22 THR 8 HG22 THR 8 -3.206 11.831 3.655 54 HG23 THR 8 HG23 THR 8 -2.047 12.938 2.918 55 H SER 9 H SER 9 -0.769 10.980 1.152 56 HA SER 9 HA SER 9 0.907 13.147 0.005 57 HB2 SER 9 HB2 SER 9 2.191 13.053 2.255 58 HB3 SER 9 HB1 SER 9 0.690 13.970 2.197 59 HG SER 9 HG SER 9 -0.328 11.975 2.940 60 H ILE 10 H ILE 10 2.371 11.081 2.351 61 HA ILE 10 HA ILE 10 3.175 9.108 0.285 62 HB ILE 10 HB ILE 10 5.338 10.279 1.992 63 HG12 ILE 10 HG12 ILE 10 4.044 12.194 0.918 64 HG13 ILE 10 HG11 ILE 10 5.745 12.089 0.464 65 HG21 ILE 10 HG21 ILE 10 5.030 8.755 -0.545 66 HG22 ILE 10 HG22 ILE 10 6.242 8.592 0.726 67 HG23 ILE 10 HG23 ILE 10 6.380 9.887 -0.463 68 HD11 ILE 10 HD11 ILE 10 5.263 11.576 -1.698 69 HD12 ILE 10 HD12 ILE 10 3.679 12.257 -1.328 70 HD13 ILE 10 HD13 ILE 10 3.930 10.514 -1.245 71 H CYS 11 H CYS 11 4.925 7.590 1.593 72 HA CYS 11 HA CYS 11 4.514 7.234 4.399 73 HB2 CYS 11 HB2 CYS 11 3.139 5.090 4.198 74 HB3 CYS 11 HB1 CYS 11 2.258 6.595 3.932 75 H SER 12 H SER 12 4.887 4.557 4.728 76 HA SER 12 HA SER 12 7.396 4.061 3.184 77 HB2 SER 12 HB2 SER 12 7.508 2.362 5.307 78 HB3 SER 12 HB1 SER 12 8.206 3.979 5.299 79 HG SER 12 HG SER 12 6.439 4.745 6.350 80 H LEU 13 H LEU 13 7.329 2.361 1.775 81 HA LEU 13 HA LEU 13 5.024 0.790 1.383 82 HB2 LEU 13 HB2 LEU 13 6.325 -0.611 -0.091 83 HB3 LEU 13 HB1 LEU 13 6.852 1.050 -0.302 84 HG LEU 13 HG LEU 13 8.803 -0.362 -0.254 85 HD11 LEU 13 HD11 LEU 13 8.931 1.818 0.947 86 HD12 LEU 13 HD12 LEU 13 10.062 0.614 1.563 87 HD13 LEU 13 HD13 LEU 13 8.583 0.970 2.449 88 HD21 LEU 13 HD21 LEU 13 9.051 -2.184 1.057 89 HD22 LEU 13 HD22 LEU 13 7.337 -1.990 1.421 90 HD23 LEU 13 HD23 LEU 13 8.550 -1.314 2.507 91 H TYR 14 H TYR 14 7.489 0.470 3.775 92 HA TYR 14 HA TYR 14 6.987 -2.345 4.288 93 HB2 TYR 14 HB2 TYR 14 8.259 -2.016 6.371 94 HB3 TYR 14 HB1 TYR 14 9.120 -1.343 4.992 95 HD1 TYR 14 HD1 TYR 14 6.550 -0.244 7.526 96 HD2 TYR 14 HD2 TYR 14 10.066 0.751 5.261 97 HE1 TYR 14 HE1 TYR 14 6.670 1.949 8.673 98 HE2 TYR 14 HE2 TYR 14 10.184 2.947 6.409 99 HH TYR 14 HH TYR 14 7.829 4.380 7.883 100 H GLN 15 H GLN 15 5.550 0.660 5.188 101 HA GLN 15 HA GLN 15 4.002 -0.438 7.391 102 HB2 GLN 15 HB2 GLN 15 3.318 1.728 7.711 103 HB3 GLN 15 HB1 GLN 15 4.710 2.081 6.701 104 HG2 GLN 15 HG2 GLN 15 3.299 2.207 4.720 105 HG3 GLN 15 HG1 GLN 15 1.888 1.711 5.653 106 HE21 GLN 15 HE21 GLN 15 0.955 3.863 4.914 107 HE22 GLN 15 HE22 GLN 15 1.366 5.262 5.783 108 H LEU 16 H LEU 16 3.793 -0.225 3.957 109 HA LEU 16 HA LEU 16 0.938 -0.634 3.697 110 HB2 LEU 16 HB2 LEU 16 3.315 -0.920 1.862 111 HB3 LEU 16 HB1 LEU 16 1.730 -1.506 1.359 112 HG LEU 16 HG LEU 16 2.356 0.910 0.714 113 HD11 LEU 16 HD11 LEU 16 -0.138 -0.171 1.862 114 HD12 LEU 16 HD12 LEU 16 0.134 0.631 0.315 115 HD13 LEU 16 HD13 LEU 16 -0.068 1.589 1.782 116 HD21 LEU 16 HD21 LEU 16 2.055 2.603 2.419 117 HD22 LEU 16 HD22 LEU 16 3.248 1.447 3.013 118 HD23 LEU 16 HD23 LEU 16 1.589 1.387 3.609 119 H GLU 17 H GLU 17 3.693 -2.657 4.301 120 HA GLU 17 HA GLU 17 2.743 -5.174 3.443 121 HB2 GLU 17 HB2 GLU 17 4.913 -5.337 4.215 122 HB3 GLU 17 HB1 GLU 17 4.640 -4.200 5.532 123 HG2 GLU 17 HG2 GLU 17 3.727 -5.836 6.932 124 HG3 GLU 17 HG1 GLU 17 3.310 -6.896 5.586 125 H ASN 18 H ASN 18 1.654 -3.112 5.988 126 HA ASN 18 HA ASN 18 0.416 -5.053 7.688 127 HB2 ASN 18 HB2 ASN 18 0.690 -2.282 7.677 128 HB3 ASN 18 HB1 ASN 18 -1.047 -2.532 7.501 129 HD21 ASN 18 HD21 ASN 18 0.935 -1.824 9.892 130 HD22 ASN 18 HD22 ASN 18 0.346 -2.809 11.144 131 H TYR 19 H TYR 19 -0.388 -3.958 4.539 132 HA TYR 19 HA TYR 19 -3.190 -4.924 4.840 133 HB2 TYR 19 HB2 TYR 19 -2.167 -3.684 2.312 134 HB3 TYR 19 HB1 TYR 19 -3.775 -3.600 3.026 135 HD1 TYR 19 HD2 TYR 19 -2.809 -2.927 5.882 136 HD2 TYR 19 HD1 TYR 19 -1.839 -1.312 2.019 137 HE1 TYR 19 HE2 TYR 19 -2.225 -0.757 6.934 138 HE2 TYR 19 HE1 TYR 19 -1.259 0.857 3.071 139 HH TYR 19 HH TYR 19 -0.471 1.605 5.422 140 H CYS 20 H CYS 20 -0.683 -6.608 4.617 141 HA CYS 20 HA CYS 20 -1.044 -7.884 1.981 142 HB2 CYS 20 HB2 CYS 20 0.886 -8.377 4.254 143 HB3 CYS 20 HB1 CYS 20 0.839 -9.359 2.790 144 H ASN 21 H ASN 21 -3.221 -8.002 3.927 145 HA ASN 21 HA ASN 21 -3.196 -10.685 5.083 146 HB2 ASN 21 HB2 ASN 21 -5.233 -8.481 4.850 147 HB3 ASN 21 HB1 ASN 21 -5.725 -10.094 5.367 148 HD21 ASN 21 HD21 ASN 21 -3.929 -7.219 6.316 149 HD22 ASN 21 HD22 ASN 21 -3.604 -7.718 7.905 150 H1 PHE 1 HT1 PHE 1 11.976 1.678 -2.653 151 H2 PHE 1 HT2 PHE 1 11.044 0.877 -1.480 152 H3 PHE 1 HT3 PHE 1 11.688 2.415 -1.152 153 HA PHE 1 HA PHE 1 9.769 1.944 -3.356 154 HB2 PHE 1 HB2 PHE 1 9.027 1.374 -0.873 155 HB3 PHE 1 HB1 PHE 1 8.941 3.129 -0.731 156 HD1 PHE 1 HD1 PHE 1 8.195 0.824 -3.596 157 HD2 PHE 1 HD2 PHE 1 6.690 3.760 -0.842 158 HE1 PHE 1 HE1 PHE 1 6.020 0.825 -4.786 159 HE2 PHE 1 HE2 PHE 1 4.515 3.761 -2.031 160 HZ PHE 1 HZ PHE 1 4.179 2.296 -4.005 161 H VAL 2 H VAL 2 8.827 4.020 -4.023 162 HA VAL 2 HA VAL 2 10.807 6.174 -3.906 163 HB VAL 2 HB VAL 2 9.255 7.338 -5.450 164 HG11 VAL 2 HG11 VAL 2 9.159 5.327 -7.161 165 HG12 VAL 2 HG12 VAL 2 10.110 4.501 -5.927 166 HG13 VAL 2 HG13 VAL 2 10.717 5.985 -6.660 167 HG21 VAL 2 HG21 VAL 2 7.154 6.395 -6.055 168 HG22 VAL 2 HG22 VAL 2 7.210 6.299 -4.295 169 HG23 VAL 2 HG23 VAL 2 7.529 4.863 -5.268 170 H ASN 3 H ASN 3 9.462 8.497 -3.786 171 HA ASN 3 HA ASN 3 7.866 8.389 -1.262 172 HB2 ASN 3 HB2 ASN 3 10.012 10.438 -1.891 173 HB3 ASN 3 HB1 ASN 3 9.066 10.326 -0.407 174 HD21 ASN 3 HD21 ASN 3 10.171 9.289 1.251 175 HD22 ASN 3 HD22 ASN 3 11.346 8.083 1.039 176 H GLN 4 H GLN 4 6.260 8.529 -3.233 177 HA GLN 4 HA GLN 4 5.616 11.412 -3.576 178 HB2 GLN 4 HB2 GLN 4 5.138 11.129 -5.923 179 HB3 GLN 4 HB1 GLN 4 6.764 10.505 -5.643 180 HG2 GLN 4 HG2 GLN 4 5.796 8.207 -5.433 181 HG3 GLN 4 HG1 GLN 4 4.220 8.872 -5.868 182 HE21 GLN 4 HE21 GLN 4 5.701 10.858 -7.727 183 HE22 GLN 4 HE22 GLN 4 6.048 9.933 -9.107 184 H HIS 5 H HIS 5 3.297 11.203 -4.972 185 HA HIS 5 HA HIS 5 1.543 9.847 -3.027 186 HB2 HIS 5 HB2 HIS 5 0.676 11.431 -5.448 187 HB3 HIS 5 HB1 HIS 5 -0.231 11.128 -3.968 188 HD2 HIS 5 HD2 HIS 5 2.877 13.291 -5.117 189 HE1 HIS 5 HE1 HIS 5 1.406 14.801 -1.451 190 HE2 HIS 5 HE2 HIS 5 3.082 15.179 -3.337 191 H LEU 6 H LEU 6 0.238 8.080 -3.529 192 HA LEU 6 HA LEU 6 0.131 7.146 -6.319 193 HB2 LEU 6 HB2 LEU 6 0.853 4.852 -5.695 194 HB3 LEU 6 HB1 LEU 6 2.135 6.037 -5.517 195 HG LEU 6 HG LEU 6 2.151 4.519 -3.618 196 HD11 LEU 6 HD11 LEU 6 0.937 6.882 -2.307 197 HD12 LEU 6 HD12 LEU 6 2.282 7.201 -3.403 198 HD13 LEU 6 HD13 LEU 6 2.500 6.114 -2.034 199 HD21 LEU 6 HD21 LEU 6 -0.561 4.379 -3.912 200 HD22 LEU 6 HD22 LEU 6 -0.420 5.410 -2.487 201 HD23 LEU 6 HD23 LEU 6 0.317 3.812 -2.494 202 H CYS 7 H CYS 7 -1.627 5.724 -6.717 203 HA CYS 7 HA CYS 7 -3.364 4.928 -4.481 204 HB2 CYS 7 HB2 CYS 7 -4.218 6.983 -6.538 205 HB3 CYS 7 HB1 CYS 7 -5.348 6.109 -5.505 206 H GLY 8 H GLY 8 -5.349 3.769 -5.387 207 HA2 GLY 8 HA2 GLY 8 -6.201 2.029 -6.698 208 HA3 GLY 8 HA1 GLY 8 -5.605 2.956 -8.072 209 H SER 9 H SER 9 -4.538 1.537 -9.333 210 HA SER 9 HA SER 9 -3.286 -0.857 -8.510 211 HB2 SER 9 HB2 SER 9 -2.114 0.543 -10.850 212 HB3 SER 9 HB1 SER 9 -2.713 -1.108 -10.710 213 HG SER 9 HG SER 9 -4.822 -0.279 -10.776 214 H ASP 10 H ASP 10 -2.224 2.371 -8.100 215 HA ASP 10 HA ASP 10 0.617 1.721 -8.088 216 HB2 ASP 10 HB2 ASP 10 -0.703 4.124 -6.816 217 HB3 ASP 10 HB1 ASP 10 0.973 3.980 -7.346 218 H LEU 11 H LEU 11 -1.939 1.976 -5.687 219 HA LEU 11 HA LEU 11 -0.233 1.747 -3.388 220 HB2 LEU 11 HB2 LEU 11 -3.044 0.645 -3.610 221 HB3 LEU 11 HB1 LEU 11 -2.214 1.180 -2.150 222 HG LEU 11 HG LEU 11 -2.477 3.165 -4.355 223 HD11 LEU 11 HD11 LEU 11 -4.712 2.313 -4.403 224 HD12 LEU 11 HD12 LEU 11 -4.765 3.766 -3.407 225 HD13 LEU 11 HD13 LEU 11 -4.769 2.174 -2.647 226 HD21 LEU 11 HD21 LEU 11 -3.116 3.605 -1.459 227 HD22 LEU 11 HD22 LEU 11 -2.335 4.691 -2.607 228 HD23 LEU 11 HD23 LEU 11 -1.436 3.338 -1.921 229 H VAL 12 H VAL 12 -1.478 -0.519 -5.720 230 HA VAL 12 HA VAL 12 -0.588 -2.821 -4.113 231 HB VAL 12 HB VAL 12 -1.097 -4.125 -6.241 232 HG11 VAL 12 HG11 VAL 12 -3.582 -3.869 -5.902 233 HG12 VAL 12 HG12 VAL 12 -3.228 -2.512 -4.832 234 HG13 VAL 12 HG13 VAL 12 -2.659 -4.131 -4.423 235 HG21 VAL 12 HG21 VAL 12 -2.548 -2.976 -7.882 236 HG22 VAL 12 HG22 VAL 12 -0.930 -2.282 -7.835 237 HG23 VAL 12 HG23 VAL 12 -2.271 -1.450 -7.047 238 H GLU 13 H GLU 13 0.412 -1.129 -7.113 239 HA GLU 13 HA GLU 13 2.581 -2.657 -7.892 240 HB2 GLU 13 HB2 GLU 13 2.185 -0.643 -9.114 241 HB3 GLU 13 HB1 GLU 13 2.320 0.348 -7.661 242 HG2 GLU 13 HG2 GLU 13 4.583 0.428 -7.785 243 HG3 GLU 13 HG1 GLU 13 4.707 -1.281 -8.202 244 H ALA 14 H ALA 14 2.244 -0.563 -5.151 245 HA ALA 14 HA ALA 14 4.936 -0.801 -4.137 246 HB1 ALA 14 HB1 ALA 14 4.156 0.489 -2.358 247 HB2 ALA 14 HB2 ALA 14 2.568 -0.277 -2.379 248 HB3 ALA 14 HB3 ALA 14 2.986 0.916 -3.607 249 H LEU 15 H LEU 15 1.865 -2.088 -2.921 250 HA LEU 15 HA LEU 15 3.014 -4.013 -1.158 251 HB2 LEU 15 HB2 LEU 15 0.346 -3.443 -2.288 252 HB3 LEU 15 HB1 LEU 15 0.609 -5.137 -1.866 253 HG LEU 15 HG LEU 15 1.657 -3.398 0.205 254 HD11 LEU 15 HD11 LEU 15 -0.870 -2.865 0.894 255 HD12 LEU 15 HD12 LEU 15 -1.083 -2.844 -0.857 256 HD13 LEU 15 HD13 LEU 15 0.067 -1.745 -0.094 257 HD21 LEU 15 HD21 LEU 15 0.506 -4.911 1.615 258 HD22 LEU 15 HD22 LEU 15 0.920 -5.886 0.205 259 HD23 LEU 15 HD23 LEU 15 -0.716 -5.255 0.390 260 H TYR 16 H TYR 16 1.414 -4.573 -4.234 261 HA TYR 16 HA TYR 16 1.723 -7.096 -4.938 262 HB2 TYR 16 HB2 TYR 16 1.050 -5.792 -6.721 263 HB3 TYR 16 HB1 TYR 16 2.335 -4.613 -6.483 264 HD1 TYR 16 HD1 TYR 16 2.478 -8.331 -6.861 265 HD2 TYR 16 HD2 TYR 16 3.545 -4.497 -8.479 266 HE1 TYR 16 HE1 TYR 16 3.830 -9.452 -8.618 267 HE2 TYR 16 HE2 TYR 16 4.897 -5.615 -10.237 268 HH TYR 16 HH TYR 16 5.159 -7.691 -11.313 269 H LEU 17 H LEU 17 4.635 -4.942 -4.906 270 HA LEU 17 HA LEU 17 6.230 -7.422 -5.337 271 HB2 LEU 17 HB2 LEU 17 8.100 -5.460 -5.426 272 HB3 LEU 17 HB1 LEU 17 7.207 -6.039 -6.826 273 HG LEU 17 HG LEU 17 5.479 -4.260 -6.351 274 HD11 LEU 17 HD11 LEU 17 7.631 -3.056 -4.611 275 HD12 LEU 17 HD12 LEU 17 6.338 -4.036 -3.933 276 HD13 LEU 17 HD13 LEU 17 5.957 -2.540 -4.777 277 HD21 LEU 17 HD21 LEU 17 6.838 -2.457 -7.317 278 HD22 LEU 17 HD22 LEU 17 7.263 -3.996 -8.064 279 HD23 LEU 17 HD23 LEU 17 8.314 -3.293 -6.836 280 H VAL 18 H VAL 18 5.478 -5.206 -2.781 281 HA VAL 18 HA VAL 18 7.937 -5.732 -1.300 282 HB VAL 18 HB VAL 18 6.932 -4.569 0.535 283 HG11 VAL 18 HG11 VAL 18 7.342 -2.736 -0.713 284 HG12 VAL 18 HG12 VAL 18 5.620 -2.731 -1.090 285 HG13 VAL 18 HG13 VAL 18 6.758 -3.521 -2.180 286 HG21 VAL 18 HG21 VAL 18 4.374 -5.232 -0.885 287 HG22 VAL 18 HG22 VAL 18 4.442 -3.862 0.218 288 HG23 VAL 18 HG23 VAL 18 4.798 -5.486 0.804 289 H CYS 19 H CYS 19 4.668 -7.001 -1.305 290 HA CYS 19 HA CYS 19 5.473 -9.076 0.671 291 HB2 CYS 19 HB2 CYS 19 2.861 -7.930 -0.235 292 HB3 CYS 19 HB1 CYS 19 2.882 -9.598 0.340 293 H GLY 20 H GLY 20 4.052 -8.698 -2.573 294 HA2 GLY 20 HA2 GLY 20 4.498 -10.124 -4.438 295 HA3 GLY 20 HA1 GLY 20 5.228 -11.295 -3.340 296 H GLU 21 H GLU 21 4.011 -13.050 -2.808 297 HA GLU 21 HA GLU 21 1.111 -12.963 -3.518 298 HB2 GLU 21 HB2 GLU 21 2.807 -14.669 -4.565 299 HB3 GLU 21 HB1 GLU 21 2.645 -15.501 -3.018 300 HG2 GLU 21 HG2 GLU 21 0.961 -16.482 -4.346 301 HG3 GLU 21 HG1 GLU 21 0.089 -15.273 -3.402 302 H ARG 22 H ARG 22 2.703 -12.270 -0.914 303 HA ARG 22 HA ARG 22 1.726 -14.216 1.019 304 HB2 ARG 22 HB2 ARG 22 3.763 -12.758 1.350 305 HB3 ARG 22 HB1 ARG 22 2.672 -11.385 1.547 306 HG2 ARG 22 HG2 ARG 22 1.724 -12.273 3.523 307 HG3 ARG 22 HG1 ARG 22 2.346 -13.890 3.197 308 HD2 ARG 22 HD2 ARG 22 4.655 -13.063 3.519 309 HD3 ARG 22 HD1 ARG 22 4.023 -11.455 3.873 310 HE ARG 22 HE ARG 22 2.820 -12.603 5.834 311 HH11 ARG 22 HH21 ARG 22 3.638 -15.379 5.399 312 HH12 ARG 22 HH22 ARG 22 5.069 -15.534 6.362 313 HH21 ARG 22 HH11 ARG 22 5.565 -12.113 6.647 314 HH22 ARG 22 HH12 ARG 22 6.158 -13.685 7.071 315 H GLY 23 H GLY 23 0.292 -11.654 -0.690 316 HA2 GLY 23 HA2 GLY 23 -2.267 -11.756 -0.232 317 HA3 GLY 23 HA1 GLY 23 -1.801 -11.293 1.406 318 H ALA 24 H ALA 24 -3.488 -9.711 -0.297 319 HA ALA 24 HA ALA 24 -2.334 -7.142 0.045 320 HB1 ALA 24 HB1 ALA 24 -2.202 -8.169 -2.807 321 HB2 ALA 24 HB2 ALA 24 -0.812 -7.841 -1.773 322 HB3 ALA 24 HB3 ALA 24 -1.855 -6.519 -2.293 323 H PHE 25 H PHE 25 -4.472 -9.060 -2.066 324 HA PHE 25 HA PHE 25 -6.292 -7.151 -2.912 325 HB2 PHE 25 HB2 PHE 25 -8.066 -8.993 -2.544 326 HB3 PHE 25 HB1 PHE 25 -6.705 -9.384 -3.594 327 HD1 PHE 25 HD1 PHE 25 -8.200 -9.903 -0.256 328 HD2 PHE 25 HD2 PHE 25 -4.979 -10.949 -2.903 329 HE1 PHE 25 HE1 PHE 25 -7.593 -11.797 1.229 330 HE2 PHE 25 HE2 PHE 25 -4.374 -12.842 -1.418 331 HZ PHE 25 HZ PHE 25 -5.680 -13.265 0.648 332 H TYR 26 H TYR 26 -6.993 -5.480 -1.641 333 HA TYR 26 HA TYR 26 -8.051 -6.164 1.070 334 HB2 TYR 26 HB2 TYR 26 -7.592 -3.799 1.648 335 HB3 TYR 26 HB1 TYR 26 -6.125 -4.636 1.141 336 HD1 TYR 26 HD2 TYR 26 -5.252 -4.318 -1.193 337 HD2 TYR 26 HD1 TYR 26 -8.481 -1.965 0.392 338 HE1 TYR 26 HE2 TYR 26 -4.926 -2.651 -3.002 339 HE2 TYR 26 HE1 TYR 26 -8.154 -0.299 -1.417 340 HH TYR 26 HH TYR 26 -6.902 0.314 -3.147 341 H THR 27 H THR 27 -9.040 -5.486 -2.012 342 HA THR 27 HA THR 27 -11.215 -3.629 -1.352 343 HB THR 27 HB THR 27 -10.079 -3.699 -3.603 344 HG1 THR 27 HG1 THR 27 -12.350 -4.012 -4.653 345 HG21 THR 27 HG21 THR 27 -9.890 -6.162 -3.749 346 HG22 THR 27 HG22 THR 27 -10.726 -5.495 -5.151 347 HG23 THR 27 HG23 THR 27 -11.645 -6.281 -3.868 348 H LYS 28 H LYS 28 -13.459 -4.202 -1.378 349 HA LYS 28 HA LYS 28 -14.046 -7.123 -1.276 350 HB2 LYS 28 HB2 LYS 28 -14.120 -5.261 0.935 351 HB3 LYS 28 HB1 LYS 28 -15.739 -5.884 0.613 352 HG2 LYS 28 HG2 LYS 28 -14.733 -8.206 0.572 353 HG3 LYS 28 HG1 LYS 28 -13.229 -7.491 1.154 354 HD2 LYS 28 HD2 LYS 28 -14.330 -6.675 3.159 355 HD3 LYS 28 HD1 LYS 28 -15.900 -7.211 2.560 356 HE2 LYS 28 HE2 LYS 28 -14.986 -8.826 4.185 357 HE3 LYS 28 HE1 LYS 28 -15.110 -9.550 2.581 358 HZ1 LYS 28 HZ1 LYS 28 -12.956 -9.908 3.814 359 HZ2 LYS 28 HZ2 LYS 28 -12.628 -8.262 3.550 360 HZ3 LYS 28 HZ3 LYS 28 -12.818 -9.315 2.231 361 HA PRO 29 HA PRO 29 -17.083 -5.049 -3.959 362 HB2 PRO 29 HB2 PRO 29 -17.181 -7.124 -5.760 363 HB3 PRO 29 HB1 PRO 29 -15.985 -5.818 -5.835 364 HG2 PRO 29 HG2 PRO 29 -15.625 -8.647 -4.955 365 HG3 PRO 29 HG1 PRO 29 -14.436 -7.523 -5.637 366 HD2 PRO 29 HD2 PRO 29 -14.703 -8.194 -2.899 367 HD3 PRO 29 HD1 PRO 29 -13.757 -6.840 -3.555 368 H THR 30 H THR 30 -18.183 -5.861 -1.712 369 HA THR 30 HA THR 30 -20.204 -7.911 -2.516 370 HB THR 30 HB THR 30 -20.081 -8.992 -0.449 371 HG1 THR 30 HG1 THR 30 -20.174 -7.608 1.130 372 HG21 THR 30 HG21 THR 30 -17.720 -9.422 0.003 373 HG22 THR 30 HG22 THR 30 -17.266 -7.939 -0.837 374 HG23 THR 30 HG23 THR 30 -17.971 -9.282 -1.737 Start of MODEL 16 1 H1 GLY 1 HT1 GLY 1 -10.254 5.460 4.000 2 H2 GLY 1 HT2 GLY 1 -9.895 3.886 3.473 3 H3 GLY 1 HT3 GLY 1 -8.868 5.176 3.063 4 HA2 GLY 1 HA1 GLY 1 -8.140 5.325 5.305 5 HA3 GLY 1 HA2 GLY 1 -9.436 4.250 5.911 6 H ILE 2 H ILE 2 -7.972 2.703 3.491 7 HA ILE 2 HA ILE 2 -5.632 1.814 4.900 8 HB ILE 2 HB ILE 2 -6.793 0.346 3.327 9 HG12 ILE 2 HG12 ILE 2 -4.238 0.786 1.868 10 HG13 ILE 2 HG11 ILE 2 -4.112 0.515 3.607 11 HG21 ILE 2 HG21 ILE 2 -6.962 0.780 1.003 12 HG22 ILE 2 HG22 ILE 2 -5.767 2.075 1.075 13 HG23 ILE 2 HG23 ILE 2 -7.370 2.315 1.770 14 HD11 ILE 2 HD11 ILE 2 -4.385 -1.459 1.659 15 HD12 ILE 2 HD12 ILE 2 -5.999 -1.321 2.354 16 HD13 ILE 2 HD13 ILE 2 -4.620 -1.674 3.393 17 H VAL 3 H VAL 3 -5.972 3.811 1.937 18 HA VAL 3 HA VAL 3 -3.139 4.667 2.326 19 HB VAL 3 HB VAL 3 -3.270 5.432 -0.021 20 HG11 VAL 3 HG11 VAL 3 -3.288 2.780 0.947 21 HG12 VAL 3 HG12 VAL 3 -2.636 3.355 -0.585 22 HG13 VAL 3 HG13 VAL 3 -4.301 2.781 -0.496 23 HG21 VAL 3 HG21 VAL 3 -5.278 4.871 -1.348 24 HG22 VAL 3 HG22 VAL 3 -5.688 5.967 -0.030 25 HG23 VAL 3 HG23 VAL 3 -6.064 4.250 0.103 26 H GLU 4 H GLU 4 -6.044 5.669 3.306 27 HA GLU 4 HA GLU 4 -6.647 8.212 2.502 28 HB2 GLU 4 HB2 GLU 4 -7.303 8.739 4.798 29 HB3 GLU 4 HB1 GLU 4 -7.709 7.059 4.438 30 HG2 GLU 4 HG2 GLU 4 -6.549 6.515 6.298 31 HG3 GLU 4 HG1 GLU 4 -5.096 6.913 5.383 32 H GLN 5 H GLN 5 -3.705 7.250 4.161 33 HA GLN 5 HA GLN 5 -2.847 10.107 4.218 34 HB2 GLN 5 HB2 GLN 5 -0.884 8.962 5.580 35 HB3 GLN 5 HB1 GLN 5 -2.428 9.307 6.361 36 HG2 GLN 5 HG2 GLN 5 -3.185 7.019 5.954 37 HG3 GLN 5 HG1 GLN 5 -1.695 6.657 5.079 38 HE21 GLN 5 HE21 GLN 5 -3.048 7.249 8.302 39 HE22 GLN 5 HE22 GLN 5 -1.679 6.736 9.163 40 H CYS 6 H CYS 6 -1.731 6.861 3.220 41 HA CYS 6 HA CYS 6 0.688 7.763 1.986 42 HB2 CYS 6 HB2 CYS 6 -0.942 5.416 1.016 43 HB3 CYS 6 HB1 CYS 6 0.812 5.600 1.015 44 H CYS 7 H CYS 7 -2.643 7.780 0.986 45 HA CYS 7 HA CYS 7 -2.029 8.284 -1.830 46 HB2 CYS 7 HB2 CYS 7 -4.422 7.818 -0.200 47 HB3 CYS 7 HB1 CYS 7 -4.651 9.019 -1.467 48 H THR 8 H THR 8 -2.816 10.208 1.032 49 HA THR 8 HA THR 8 -3.130 12.655 -0.553 50 HB THR 8 HB THR 8 -4.332 12.190 1.645 51 HG1 THR 8 HG1 THR 8 -2.799 14.502 1.152 52 HG21 THR 8 HG21 THR 8 -1.628 12.934 2.791 53 HG22 THR 8 HG22 THR 8 -2.320 11.313 2.827 54 HG23 THR 8 HG23 THR 8 -3.104 12.625 3.704 55 H SER 9 H SER 9 -0.695 11.380 1.746 56 HA SER 9 HA SER 9 1.192 13.405 0.614 57 HB2 SER 9 HB2 SER 9 2.429 13.079 2.822 58 HB3 SER 9 HB1 SER 9 0.879 13.909 2.926 59 HG SER 9 HG SER 9 -0.045 11.866 3.470 60 H ILE 10 H ILE 10 2.817 11.240 2.614 61 HA ILE 10 HA ILE 10 3.487 9.494 0.282 62 HB ILE 10 HB ILE 10 5.515 10.147 2.396 63 HG12 ILE 10 HG12 ILE 10 4.470 12.306 1.539 64 HG13 ILE 10 HG11 ILE 10 6.202 12.146 1.247 65 HG21 ILE 10 HG21 ILE 10 6.521 8.671 0.975 66 HG22 ILE 10 HG22 ILE 10 6.766 10.105 -0.023 67 HG23 ILE 10 HG23 ILE 10 5.405 9.029 -0.343 68 HD11 ILE 10 HD11 ILE 10 4.900 12.952 -0.755 69 HD12 ILE 10 HD12 ILE 10 4.081 11.390 -0.780 70 HD13 ILE 10 HD13 ILE 10 5.822 11.476 -1.045 71 H CYS 11 H CYS 11 5.039 7.614 1.458 72 HA CYS 11 HA CYS 11 4.092 6.733 4.039 73 HB2 CYS 11 HB2 CYS 11 2.450 6.121 1.750 74 HB3 CYS 11 HB1 CYS 11 3.115 4.631 2.418 75 H SER 12 H SER 12 4.807 4.397 4.427 76 HA SER 12 HA SER 12 7.375 3.940 2.979 77 HB2 SER 12 HB2 SER 12 7.413 2.256 5.126 78 HB3 SER 12 HB1 SER 12 8.086 3.883 5.131 79 HG SER 12 HG SER 12 6.414 4.579 6.258 80 H LEU 13 H LEU 13 7.413 2.255 1.564 81 HA LEU 13 HA LEU 13 5.210 0.615 1.018 82 HB2 LEU 13 HB2 LEU 13 6.664 -0.769 -0.325 83 HB3 LEU 13 HB1 LEU 13 7.158 0.904 -0.512 84 HG LEU 13 HG LEU 13 9.140 -0.459 -0.289 85 HD11 LEU 13 HD11 LEU 13 9.100 1.751 0.876 86 HD12 LEU 13 HD12 LEU 13 10.227 0.597 1.590 87 HD13 LEU 13 HD13 LEU 13 8.679 0.912 2.365 88 HD21 LEU 13 HD21 LEU 13 9.347 -2.238 1.089 89 HD22 LEU 13 HD22 LEU 13 7.600 -2.109 1.286 90 HD23 LEU 13 HD23 LEU 13 8.678 -1.364 2.467 91 H TYR 14 H TYR 14 7.500 0.335 3.585 92 HA TYR 14 HA TYR 14 6.955 -2.485 4.067 93 HB2 TYR 14 HB2 TYR 14 8.147 -2.162 6.202 94 HB3 TYR 14 HB1 TYR 14 9.070 -1.507 4.856 95 HD1 TYR 14 HD1 TYR 14 6.429 -0.390 7.297 96 HD2 TYR 14 HD2 TYR 14 9.997 0.603 5.116 97 HE1 TYR 14 HE1 TYR 14 6.510 1.813 8.430 98 HE2 TYR 14 HE2 TYR 14 10.078 2.808 6.248 99 HH TYR 14 HH TYR 14 8.442 3.524 8.989 100 H GLN 15 H GLN 15 5.566 0.554 4.977 101 HA GLN 15 HA GLN 15 3.912 -0.524 7.097 102 HB2 GLN 15 HB2 GLN 15 3.135 1.650 7.319 103 HB3 GLN 15 HB1 GLN 15 4.692 1.945 6.561 104 HG2 GLN 15 HG2 GLN 15 3.451 3.170 5.090 105 HG3 GLN 15 HG1 GLN 15 3.139 1.594 4.358 106 HE21 GLN 15 HE21 GLN 15 1.475 0.787 6.786 107 HE22 GLN 15 HE22 GLN 15 -0.003 1.593 6.575 108 H LEU 16 H LEU 16 3.759 -0.269 3.648 109 HA LEU 16 HA LEU 16 0.903 -0.657 3.379 110 HB2 LEU 16 HB2 LEU 16 3.271 -0.874 1.533 111 HB3 LEU 16 HB1 LEU 16 1.699 -1.488 1.019 112 HG LEU 16 HG LEU 16 0.735 0.765 1.670 113 HD11 LEU 16 HD11 LEU 16 2.962 2.399 1.364 114 HD12 LEU 16 HD12 LEU 16 3.522 1.120 2.438 115 HD13 LEU 16 HD13 LEU 16 2.111 2.081 2.875 116 HD21 LEU 16 HD21 LEU 16 1.264 0.090 -0.680 117 HD22 LEU 16 HD22 LEU 16 2.869 0.796 -0.486 118 HD23 LEU 16 HD23 LEU 16 1.437 1.825 -0.415 119 H GLU 17 H GLU 17 3.698 -2.760 3.732 120 HA GLU 17 HA GLU 17 2.678 -5.227 2.900 121 HB2 GLU 17 HB2 GLU 17 4.205 -6.245 4.410 122 HB3 GLU 17 HB1 GLU 17 4.944 -4.692 4.025 123 HG2 GLU 17 HG2 GLU 17 3.666 -3.817 6.114 124 HG3 GLU 17 HG1 GLU 17 3.514 -5.521 6.543 125 H ASN 18 H ASN 18 1.781 -3.218 5.565 126 HA ASN 18 HA ASN 18 0.348 -5.054 7.187 127 HB2 ASN 18 HB2 ASN 18 0.891 -2.409 7.355 128 HB3 ASN 18 HB1 ASN 18 -0.795 -2.335 6.842 129 HD21 ASN 18 HD21 ASN 18 -0.812 -1.387 9.238 130 HD22 ASN 18 HD22 ASN 18 -1.130 -2.519 10.462 131 H TYR 19 H TYR 19 -0.634 -3.206 4.357 132 HA TYR 19 HA TYR 19 -3.399 -3.960 4.405 133 HB2 TYR 19 HB2 TYR 19 -1.844 -3.378 1.886 134 HB3 TYR 19 HB1 TYR 19 -3.536 -3.033 2.227 135 HD1 TYR 19 HD2 TYR 19 -2.612 -2.148 5.218 136 HD2 TYR 19 HD1 TYR 19 -1.624 -0.956 1.208 137 HE1 TYR 19 HE2 TYR 19 -1.983 0.105 6.042 138 HE2 TYR 19 HE1 TYR 19 -0.999 1.298 2.033 139 HH TYR 19 HH TYR 19 -1.727 2.734 4.188 140 H CYS 20 H CYS 20 -0.609 -5.780 3.813 141 HA CYS 20 HA CYS 20 -1.656 -7.604 1.829 142 HB2 CYS 20 HB2 CYS 20 0.549 -7.990 3.867 143 HB3 CYS 20 HB1 CYS 20 0.237 -9.048 2.492 144 H ASN 21 H ASN 21 -0.728 -8.553 5.097 145 HA ASN 21 HA ASN 21 -2.304 -10.798 5.386 146 HB2 ASN 21 HB2 ASN 21 -2.107 -8.811 7.647 147 HB3 ASN 21 HB1 ASN 21 -2.088 -10.572 7.730 148 HD21 ASN 21 HD21 ASN 21 -0.182 -11.053 5.611 149 HD22 ASN 21 HD22 ASN 21 1.328 -10.477 6.128 150 H1 PHE 1 HT1 PHE 1 12.179 1.282 -2.710 151 H2 PHE 1 HT2 PHE 1 11.422 1.016 -1.213 152 H3 PHE 1 HT3 PHE 1 12.384 2.396 -1.446 153 HA PHE 1 HA PHE 1 10.271 2.186 -3.372 154 HB2 PHE 1 HB2 PHE 1 9.478 1.242 -0.969 155 HB3 PHE 1 HB1 PHE 1 9.285 2.971 -0.677 156 HD1 PHE 1 HD1 PHE 1 8.861 0.983 -3.822 157 HD2 PHE 1 HD2 PHE 1 6.977 3.411 -0.818 158 HE1 PHE 1 HE1 PHE 1 6.758 0.975 -5.134 159 HE2 PHE 1 HE2 PHE 1 4.874 3.404 -2.131 160 HZ PHE 1 HZ PHE 1 4.762 2.186 -4.289 161 H VAL 2 H VAL 2 9.777 4.302 -4.011 162 HA VAL 2 HA VAL 2 11.608 6.374 -3.061 163 HB VAL 2 HB VAL 2 10.579 7.770 -4.791 164 HG11 VAL 2 HG11 VAL 2 10.629 5.353 -6.393 165 HG12 VAL 2 HG12 VAL 2 11.931 5.338 -5.203 166 HG13 VAL 2 HG13 VAL 2 11.794 6.676 -6.344 167 HG21 VAL 2 HG21 VAL 2 8.710 5.456 -5.334 168 HG22 VAL 2 HG22 VAL 2 8.650 7.079 -6.019 169 HG23 VAL 2 HG23 VAL 2 8.250 6.823 -4.321 170 H ASN 3 H ASN 3 10.305 8.681 -2.891 171 HA ASN 3 HA ASN 3 8.133 8.215 -0.886 172 HB2 ASN 3 HB2 ASN 3 10.303 10.336 -0.827 173 HB3 ASN 3 HB1 ASN 3 8.987 10.191 0.339 174 HD21 ASN 3 HD21 ASN 3 11.634 9.993 1.280 175 HD22 ASN 3 HD22 ASN 3 11.953 8.391 1.738 176 H GLN 4 H GLN 4 6.419 8.679 -2.295 177 HA GLN 4 HA GLN 4 6.010 11.508 -2.901 178 HB2 GLN 4 HB2 GLN 4 5.492 10.896 -5.363 179 HB3 GLN 4 HB1 GLN 4 7.188 11.057 -4.905 180 HG2 GLN 4 HG2 GLN 4 7.578 8.776 -4.999 181 HG3 GLN 4 HG1 GLN 4 5.900 8.371 -4.635 182 HE21 GLN 4 HE21 GLN 4 6.137 6.902 -6.610 183 HE22 GLN 4 HE22 GLN 4 5.894 7.585 -8.146 184 H HIS 5 H HIS 5 3.821 11.504 -4.376 185 HA HIS 5 HA HIS 5 1.851 10.141 -2.704 186 HB2 HIS 5 HB2 HIS 5 1.340 11.697 -5.246 187 HB3 HIS 5 HB1 HIS 5 0.208 11.388 -3.930 188 HD2 HIS 5 HD2 HIS 5 3.591 13.424 -4.409 189 HE1 HIS 5 HE1 HIS 5 1.332 15.142 -1.275 190 HE2 HIS 5 HE2 HIS 5 3.445 15.369 -2.687 191 H LEU 6 H LEU 6 0.598 8.367 -3.289 192 HA LEU 6 HA LEU 6 0.686 7.366 -6.040 193 HB2 LEU 6 HB2 LEU 6 1.513 5.137 -5.396 194 HB3 LEU 6 HB1 LEU 6 2.718 6.381 -5.111 195 HG LEU 6 HG LEU 6 2.710 4.864 -3.233 196 HD11 LEU 6 HD11 LEU 6 2.706 6.420 -1.547 197 HD12 LEU 6 HD12 LEU 6 1.161 7.112 -2.042 198 HD13 LEU 6 HD13 LEU 6 2.633 7.511 -2.931 199 HD21 LEU 6 HD21 LEU 6 0.876 3.914 -2.341 200 HD22 LEU 6 HD22 LEU 6 0.025 4.534 -3.753 201 HD23 LEU 6 HD23 LEU 6 0.018 5.449 -2.244 202 H CYS 7 H CYS 7 -1.024 5.942 -6.500 203 HA CYS 7 HA CYS 7 -2.781 4.980 -4.348 204 HB2 CYS 7 HB2 CYS 7 -3.743 7.066 -6.332 205 HB3 CYS 7 HB1 CYS 7 -4.788 6.155 -5.245 206 H GLY 8 H GLY 8 -4.943 4.194 -5.606 207 HA2 GLY 8 HA2 GLY 8 -5.698 2.420 -6.952 208 HA3 GLY 8 HA1 GLY 8 -5.074 3.439 -8.244 209 H SER 9 H SER 9 -3.967 2.158 -9.594 210 HA SER 9 HA SER 9 -2.840 -0.346 -9.075 211 HB2 SER 9 HB2 SER 9 -2.150 1.771 -11.108 212 HB3 SER 9 HB1 SER 9 -1.309 0.225 -11.069 213 HG SER 9 HG SER 9 -4.061 0.750 -11.479 214 H ASP 10 H ASP 10 -1.656 2.764 -8.189 215 HA ASP 10 HA ASP 10 1.114 1.945 -7.885 216 HB2 ASP 10 HB2 ASP 10 -0.198 4.232 -6.418 217 HB3 ASP 10 HB1 ASP 10 1.485 4.086 -6.928 218 H LEU 11 H LEU 11 -1.732 2.012 -5.842 219 HA LEU 11 HA LEU 11 -0.443 1.491 -3.344 220 HB2 LEU 11 HB2 LEU 11 -3.179 1.158 -4.456 221 HB3 LEU 11 HB1 LEU 11 -2.778 0.106 -3.107 222 HG LEU 11 HG LEU 11 -2.684 1.829 -1.605 223 HD11 LEU 11 HD11 LEU 11 -2.244 4.278 -2.644 224 HD12 LEU 11 HD12 LEU 11 -1.425 3.303 -3.864 225 HD13 LEU 11 HD13 LEU 11 -0.931 3.199 -2.175 226 HD21 LEU 11 HD21 LEU 11 -4.904 2.099 -2.338 227 HD22 LEU 11 HD22 LEU 11 -4.405 2.794 -3.882 228 HD23 LEU 11 HD23 LEU 11 -4.255 3.736 -2.399 229 H VAL 12 H VAL 12 -1.256 -0.502 -6.082 230 HA VAL 12 HA VAL 12 -0.454 -2.938 -4.629 231 HB VAL 12 HB VAL 12 -0.835 -4.052 -6.864 232 HG11 VAL 12 HG11 VAL 12 -2.850 -2.679 -5.165 233 HG12 VAL 12 HG12 VAL 12 -2.638 -4.399 -5.496 234 HG13 VAL 12 HG13 VAL 12 -3.432 -3.364 -6.684 235 HG21 VAL 12 HG21 VAL 12 -0.530 -2.070 -8.286 236 HG22 VAL 12 HG22 VAL 12 -1.949 -1.319 -7.557 237 HG23 VAL 12 HG23 VAL 12 -2.125 -2.775 -8.533 238 H GLU 13 H GLU 13 0.703 -0.987 -7.419 239 HA GLU 13 HA GLU 13 2.960 -2.440 -8.117 240 HB2 GLU 13 HB2 GLU 13 2.611 -0.388 -9.285 241 HB3 GLU 13 HB1 GLU 13 2.587 0.544 -7.788 242 HG2 GLU 13 HG2 GLU 13 4.876 0.572 -7.606 243 HG3 GLU 13 HG1 GLU 13 5.059 -1.013 -8.355 244 H ALA 14 H ALA 14 2.359 -0.469 -5.330 245 HA ALA 14 HA ALA 14 4.974 -0.724 -4.112 246 HB1 ALA 14 HB1 ALA 14 2.757 -0.269 -2.276 247 HB2 ALA 14 HB2 ALA 14 2.661 0.789 -3.683 248 HB3 ALA 14 HB3 ALA 14 4.106 0.797 -2.671 249 H LEU 15 H LEU 15 1.821 -1.957 -3.076 250 HA LEU 15 HA LEU 15 2.801 -3.928 -1.299 251 HB2 LEU 15 HB2 LEU 15 0.245 -3.506 -2.805 252 HB3 LEU 15 HB1 LEU 15 0.497 -5.071 -2.030 253 HG LEU 15 HG LEU 15 1.248 -2.874 -0.269 254 HD11 LEU 15 HD11 LEU 15 -0.441 -1.439 -0.719 255 HD12 LEU 15 HD12 LEU 15 -1.533 -2.670 -0.088 256 HD13 LEU 15 HD13 LEU 15 -1.209 -2.583 -1.819 257 HD21 LEU 15 HD21 LEU 15 0.584 -4.435 1.218 258 HD22 LEU 15 HD22 LEU 15 0.221 -5.492 -0.146 259 HD23 LEU 15 HD23 LEU 15 -1.041 -4.465 0.535 260 H TYR 16 H TYR 16 1.554 -4.402 -4.543 261 HA TYR 16 HA TYR 16 1.894 -6.903 -5.307 262 HB2 TYR 16 HB2 TYR 16 1.475 -5.364 -7.038 263 HB3 TYR 16 HB1 TYR 16 2.928 -4.435 -6.687 264 HD1 TYR 16 HD1 TYR 16 2.202 -8.052 -7.367 265 HD2 TYR 16 HD2 TYR 16 4.513 -4.569 -8.356 266 HE1 TYR 16 HE1 TYR 16 3.474 -9.376 -9.042 267 HE2 TYR 16 HE2 TYR 16 5.787 -5.889 -10.033 268 HH TYR 16 HH TYR 16 4.901 -9.231 -10.795 269 H LEU 17 H LEU 17 4.872 -4.829 -5.066 270 HA LEU 17 HA LEU 17 6.382 -7.391 -5.206 271 HB2 LEU 17 HB2 LEU 17 8.330 -5.476 -5.161 272 HB3 LEU 17 HB1 LEU 17 7.620 -6.160 -6.618 273 HG LEU 17 HG LEU 17 5.860 -4.318 -6.463 274 HD11 LEU 17 HD11 LEU 17 5.922 -2.892 -4.719 275 HD12 LEU 17 HD12 LEU 17 7.613 -2.520 -5.031 276 HD13 LEU 17 HD13 LEU 17 7.184 -3.891 -4.009 277 HD21 LEU 17 HD21 LEU 17 7.464 -4.031 -8.156 278 HD22 LEU 17 HD22 LEU 17 8.787 -3.856 -7.002 279 HD23 LEU 17 HD23 LEU 17 7.624 -2.548 -7.215 280 H VAL 18 H VAL 18 5.685 -4.841 -2.877 281 HA VAL 18 HA VAL 18 7.872 -5.432 -1.114 282 HB VAL 18 HB VAL 18 6.690 -4.239 0.576 283 HG11 VAL 18 HG11 VAL 18 5.453 -2.463 -1.106 284 HG12 VAL 18 HG12 VAL 18 6.555 -3.295 -2.205 285 HG13 VAL 18 HG13 VAL 18 7.185 -2.486 -0.772 286 HG21 VAL 18 HG21 VAL 18 4.260 -4.989 -1.025 287 HG22 VAL 18 HG22 VAL 18 4.217 -3.664 0.130 288 HG23 VAL 18 HG23 VAL 18 4.585 -5.299 0.676 289 H CYS 19 H CYS 19 4.624 -6.749 -1.380 290 HA CYS 19 HA CYS 19 5.246 -8.754 0.718 291 HB2 CYS 19 HB2 CYS 19 2.747 -7.736 -0.572 292 HB3 CYS 19 HB1 CYS 19 2.740 -9.385 0.051 293 H GLY 20 H GLY 20 3.575 -8.910 -2.445 294 HA2 GLY 20 HA2 GLY 20 3.828 -10.439 -4.209 295 HA3 GLY 20 HA1 GLY 20 5.420 -10.825 -3.554 296 H GLU 21 H GLU 21 2.149 -11.867 -3.813 297 HA GLU 21 HA GLU 21 1.090 -13.838 -3.104 298 HB2 GLU 21 HB2 GLU 21 3.264 -14.727 -4.150 299 HB3 GLU 21 HB1 GLU 21 3.856 -14.884 -2.497 300 HG2 GLU 21 HG2 GLU 21 2.384 -16.581 -1.977 301 HG3 GLU 21 HG1 GLU 21 1.159 -16.009 -3.110 302 H ARG 22 H ARG 22 2.214 -11.699 -1.115 303 HA ARG 22 HA ARG 22 2.154 -13.388 1.340 304 HB2 ARG 22 HB2 ARG 22 3.558 -10.966 0.575 305 HB3 ARG 22 HB1 ARG 22 2.639 -10.714 2.060 306 HG2 ARG 22 HG2 ARG 22 3.730 -13.202 2.485 307 HG3 ARG 22 HG1 ARG 22 5.009 -12.393 1.580 308 HD2 ARG 22 HD2 ARG 22 5.538 -11.730 3.743 309 HD3 ARG 22 HD1 ARG 22 4.492 -10.401 3.243 310 HE ARG 22 HE ARG 22 2.629 -11.641 4.442 311 HH11 ARG 22 HH21 ARG 22 4.012 -14.167 5.069 312 HH12 ARG 22 HH22 ARG 22 4.576 -13.913 6.687 313 HH21 ARG 22 HH11 ARG 22 4.186 -10.470 6.564 314 HH22 ARG 22 HH12 ARG 22 4.674 -11.819 7.533 315 H GLY 23 H GLY 23 -0.208 -12.573 -0.356 316 HA2 GLY 23 HA2 GLY 23 -2.460 -12.152 0.246 317 HA3 GLY 23 HA1 GLY 23 -1.914 -11.737 1.871 318 H ALA 24 H ALA 24 -3.755 -10.271 0.005 319 HA ALA 24 HA ALA 24 -3.121 -7.629 0.637 320 HB1 ALA 24 HB1 ALA 24 -1.176 -7.450 -0.602 321 HB2 ALA 24 HB2 ALA 24 -2.353 -6.987 -1.831 322 HB3 ALA 24 HB3 ALA 24 -1.709 -8.628 -1.803 323 H PHE 25 H PHE 25 -5.392 -9.369 0.153 324 HA PHE 25 HA PHE 25 -6.736 -7.905 -2.066 325 HB2 PHE 25 HB2 PHE 25 -8.426 -9.887 -1.777 326 HB3 PHE 25 HB1 PHE 25 -6.913 -10.169 -2.638 327 HD1 PHE 25 HD2 PHE 25 -5.010 -11.300 -1.506 328 HD2 PHE 25 HD1 PHE 25 -8.849 -10.880 0.380 329 HE1 PHE 25 HE2 PHE 25 -4.384 -13.034 0.156 330 HE2 PHE 25 HE1 PHE 25 -8.224 -12.612 2.041 331 HZ PHE 25 HZ PHE 25 -5.991 -13.689 1.930 332 H TYR 26 H TYR 26 -7.430 -6.106 -0.830 333 HA TYR 26 HA TYR 26 -9.222 -6.737 1.475 334 HB2 TYR 26 HB2 TYR 26 -8.927 -4.122 1.769 335 HB3 TYR 26 HB1 TYR 26 -7.676 -5.228 2.332 336 HD1 TYR 26 HD2 TYR 26 -5.640 -5.636 0.932 337 HD2 TYR 26 HD1 TYR 26 -8.546 -2.634 -0.077 338 HE1 TYR 26 HE2 TYR 26 -4.008 -4.572 -0.603 339 HE2 TYR 26 HE1 TYR 26 -6.913 -1.570 -1.612 340 HH TYR 26 HH TYR 26 -4.935 -1.874 -2.687 341 H THR 27 H THR 27 -9.194 -5.684 -1.766 342 HA THR 27 HA THR 27 -11.694 -4.141 -1.551 343 HB THR 27 HB THR 27 -9.863 -3.592 -3.211 344 HG1 THR 27 HG1 THR 27 -12.328 -3.300 -3.415 345 HG21 THR 27 HG21 THR 27 -10.871 -5.683 -5.045 346 HG22 THR 27 HG22 THR 27 -9.857 -6.262 -3.723 347 HG23 THR 27 HG23 THR 27 -9.237 -5.051 -4.845 348 H LYS 28 H LYS 28 -13.704 -4.859 -2.427 349 HA LYS 28 HA LYS 28 -14.213 -7.214 -3.855 350 HB2 LYS 28 HB2 LYS 28 -14.988 -8.699 -1.910 351 HB3 LYS 28 HB1 LYS 28 -13.245 -8.566 -2.147 352 HG2 LYS 28 HG2 LYS 28 -12.958 -7.194 -0.286 353 HG3 LYS 28 HG1 LYS 28 -14.626 -6.625 -0.322 354 HD2 LYS 28 HD2 LYS 28 -15.455 -8.613 0.635 355 HD3 LYS 28 HD1 LYS 28 -13.996 -9.520 0.232 356 HE2 LYS 28 HE2 LYS 28 -12.753 -7.928 1.810 357 HE3 LYS 28 HE1 LYS 28 -14.343 -7.410 2.369 358 HZ1 LYS 28 HZ1 LYS 28 -14.841 -9.766 2.845 359 HZ2 LYS 28 HZ2 LYS 28 -13.558 -9.154 3.776 360 HZ3 LYS 28 HZ3 LYS 28 -13.241 -10.165 2.447 361 HA PRO 29 HA PRO 29 -17.881 -4.673 -2.976 362 HB2 PRO 29 HB2 PRO 29 -18.760 -4.716 -5.581 363 HB3 PRO 29 HB1 PRO 29 -17.589 -3.540 -4.963 364 HG2 PRO 29 HG2 PRO 29 -17.122 -5.912 -6.711 365 HG3 PRO 29 HG1 PRO 29 -16.190 -4.411 -6.584 366 HD2 PRO 29 HD2 PRO 29 -15.488 -6.896 -5.428 367 HD3 PRO 29 HD1 PRO 29 -14.763 -5.321 -5.038 368 H THR 30 H THR 30 -18.157 -7.077 -1.972 369 HA THR 30 HA THR 30 -19.912 -8.785 -3.609 370 HB THR 30 HB THR 30 -19.846 -10.314 -1.717 371 HG1 THR 30 HG1 THR 30 -18.387 -9.390 0.070 372 HG21 THR 30 HG21 THR 30 -17.481 -10.745 -1.633 373 HG22 THR 30 HG22 THR 30 -17.106 -9.061 -1.995 374 HG23 THR 30 HG23 THR 30 -17.832 -10.088 -3.231 Start of MODEL 17 1 H1 GLY 1 HT1 GLY 1 -10.532 4.246 2.076 2 H2 GLY 1 HT2 GLY 1 -8.867 4.234 1.739 3 H3 GLY 1 HT3 GLY 1 -9.575 5.590 2.475 4 HA2 GLY 1 HA1 GLY 1 -9.270 4.639 4.472 5 HA3 GLY 1 HA2 GLY 1 -10.165 3.166 3.987 6 H ILE 2 H ILE 2 -8.115 1.729 3.800 7 HA ILE 2 HA ILE 2 -6.015 2.154 5.588 8 HB ILE 2 HB ILE 2 -6.358 -0.045 4.726 9 HG12 ILE 2 HG12 ILE 2 -3.928 0.857 5.094 10 HG13 ILE 2 HG11 ILE 2 -4.147 -0.705 4.311 11 HG21 ILE 2 HG21 ILE 2 -7.201 -0.120 2.627 12 HG22 ILE 2 HG22 ILE 2 -5.517 -0.134 2.100 13 HG23 ILE 2 HG23 ILE 2 -6.410 1.386 2.161 14 HD11 ILE 2 HD11 ILE 2 -4.214 1.478 2.379 15 HD12 ILE 2 HD12 ILE 2 -3.208 0.033 2.396 16 HD13 ILE 2 HD13 ILE 2 -2.708 1.464 3.295 17 H VAL 3 H VAL 3 -6.387 3.399 2.350 18 HA VAL 3 HA VAL 3 -3.581 4.398 2.380 19 HB VAL 3 HB VAL 3 -3.900 4.876 0.020 20 HG11 VAL 3 HG11 VAL 3 -3.327 2.574 0.520 21 HG12 VAL 3 HG12 VAL 3 -4.506 2.578 -0.790 22 HG13 VAL 3 HG13 VAL 3 -5.015 2.184 0.851 23 HG21 VAL 3 HG21 VAL 3 -6.747 3.893 0.356 24 HG22 VAL 3 HG22 VAL 3 -6.022 4.597 -1.090 25 HG23 VAL 3 HG23 VAL 3 -6.311 5.602 0.331 26 H GLU 4 H GLU 4 -6.445 5.400 3.552 27 HA GLU 4 HA GLU 4 -7.145 7.883 2.617 28 HB2 GLU 4 HB2 GLU 4 -7.489 8.569 5.022 29 HB3 GLU 4 HB1 GLU 4 -8.191 7.003 4.612 30 HG2 GLU 4 HG2 GLU 4 -5.901 6.036 5.401 31 HG3 GLU 4 HG1 GLU 4 -5.708 7.594 6.207 32 H GLN 5 H GLN 5 -4.110 7.038 4.159 33 HA GLN 5 HA GLN 5 -3.274 9.895 3.989 34 HB2 GLN 5 HB2 GLN 5 -1.211 8.723 5.294 35 HB3 GLN 5 HB1 GLN 5 -2.628 9.363 6.123 36 HG2 GLN 5 HG2 GLN 5 -3.685 7.100 5.969 37 HG3 GLN 5 HG1 GLN 5 -2.185 6.485 5.274 38 HE21 GLN 5 HE21 GLN 5 -0.472 8.226 7.002 39 HE22 GLN 5 HE22 GLN 5 -0.547 7.547 8.557 40 H CYS 6 H CYS 6 -1.815 6.651 3.450 41 HA CYS 6 HA CYS 6 0.400 7.436 1.957 42 HB2 CYS 6 HB2 CYS 6 -1.352 5.064 1.267 43 HB3 CYS 6 HB1 CYS 6 0.373 5.239 0.946 44 H CYS 7 H CYS 7 -2.966 7.194 0.898 45 HA CYS 7 HA CYS 7 -2.311 7.769 -1.887 46 HB2 CYS 7 HB2 CYS 7 -4.718 7.138 -0.333 47 HB3 CYS 7 HB1 CYS 7 -4.989 8.316 -1.613 48 H THR 8 H THR 8 -1.950 9.697 0.672 49 HA THR 8 HA THR 8 -3.098 12.092 -0.704 50 HB THR 8 HB THR 8 -3.130 13.194 1.455 51 HG1 THR 8 HG1 THR 8 -2.253 10.870 2.731 52 HG21 THR 8 HG21 THR 8 -5.058 11.794 1.009 53 HG22 THR 8 HG22 THR 8 -4.637 11.639 2.714 54 HG23 THR 8 HG23 THR 8 -4.199 10.363 1.578 55 H SER 9 H SER 9 -0.496 11.743 1.713 56 HA SER 9 HA SER 9 1.198 13.459 -0.023 57 HB2 SER 9 HB2 SER 9 2.669 13.423 2.120 58 HB3 SER 9 HB1 SER 9 1.158 14.326 2.164 59 HG SER 9 HG SER 9 0.694 13.078 3.786 60 H ILE 10 H ILE 10 2.680 11.303 2.287 61 HA ILE 10 HA ILE 10 3.502 9.454 0.111 62 HB ILE 10 HB ILE 10 5.573 10.553 2.001 63 HG12 ILE 10 HG12 ILE 10 4.447 12.461 0.802 64 HG13 ILE 10 HG11 ILE 10 6.150 12.267 0.383 65 HG21 ILE 10 HG21 ILE 10 6.724 10.065 -0.442 66 HG22 ILE 10 HG22 ILE 10 5.448 8.849 -0.403 67 HG23 ILE 10 HG23 ILE 10 6.658 8.900 0.880 68 HD11 ILE 10 HD11 ILE 10 4.033 12.377 -1.421 69 HD12 ILE 10 HD12 ILE 10 4.409 10.656 -1.320 70 HD13 ILE 10 HD13 ILE 10 5.665 11.809 -1.774 71 H CYS 11 H CYS 11 4.321 7.422 0.927 72 HA CYS 11 HA CYS 11 3.895 6.969 3.845 73 HB2 CYS 11 HB2 CYS 11 2.340 5.887 1.635 74 HB3 CYS 11 HB1 CYS 11 3.096 4.600 2.574 75 H SER 12 H SER 12 4.989 4.915 4.567 76 HA SER 12 HA SER 12 7.549 4.632 3.114 77 HB2 SER 12 HB2 SER 12 7.732 2.956 5.270 78 HB3 SER 12 HB1 SER 12 8.215 4.649 5.279 79 HG SER 12 HG SER 12 5.589 3.746 5.847 80 H LEU 13 H LEU 13 8.329 2.585 2.387 81 HA LEU 13 HA LEU 13 6.300 0.872 1.274 82 HB2 LEU 13 HB2 LEU 13 8.413 1.123 0.125 83 HB3 LEU 13 HB1 LEU 13 9.301 0.572 1.543 84 HG LEU 13 HG LEU 13 7.230 -1.197 0.270 85 HD11 LEU 13 HD11 LEU 13 8.486 -1.085 -1.634 86 HD12 LEU 13 HD12 LEU 13 9.587 -2.131 -0.738 87 HD13 LEU 13 HD13 LEU 13 9.873 -0.392 -0.794 88 HD21 LEU 13 HD21 LEU 13 9.237 -1.360 2.374 89 HD22 LEU 13 HD22 LEU 13 9.481 -2.619 1.162 90 HD23 LEU 13 HD23 LEU 13 7.931 -2.483 1.993 91 H TYR 14 H TYR 14 8.515 0.539 3.996 92 HA TYR 14 HA TYR 14 7.797 -2.151 4.642 93 HB2 TYR 14 HB2 TYR 14 8.447 -1.134 7.095 94 HB3 TYR 14 HB1 TYR 14 9.617 -1.743 5.931 95 HD1 TYR 14 HD2 TYR 14 10.927 -0.219 4.535 96 HD2 TYR 14 HD1 TYR 14 8.151 1.265 7.461 97 HE1 TYR 14 HE2 TYR 14 11.952 2.032 4.361 98 HE2 TYR 14 HE1 TYR 14 9.177 3.519 7.287 99 HH TYR 14 HH TYR 14 10.749 4.654 5.020 100 H GLN 15 H GLN 15 6.302 0.912 5.400 101 HA GLN 15 HA GLN 15 4.491 -0.229 7.348 102 HB2 GLN 15 HB2 GLN 15 3.727 1.923 7.616 103 HB3 GLN 15 HB1 GLN 15 5.274 2.275 6.878 104 HG2 GLN 15 HG2 GLN 15 4.316 2.861 4.841 105 HG3 GLN 15 HG1 GLN 15 2.874 1.891 5.107 106 HE21 GLN 15 HE21 GLN 15 1.263 2.739 6.686 107 HE22 GLN 15 HE22 GLN 15 1.203 4.404 7.009 108 H LEU 16 H LEU 16 4.621 0.049 3.903 109 HA LEU 16 HA LEU 16 1.832 -0.288 3.325 110 HB2 LEU 16 HB2 LEU 16 4.410 -0.609 1.859 111 HB3 LEU 16 HB1 LEU 16 3.010 -1.448 1.198 112 HG LEU 16 HG LEU 16 3.450 0.936 0.362 113 HD11 LEU 16 HD11 LEU 16 0.964 -0.368 1.202 114 HD12 LEU 16 HD12 LEU 16 1.355 0.423 -0.326 115 HD13 LEU 16 HD13 LEU 16 0.808 1.381 1.049 116 HD21 LEU 16 HD21 LEU 16 3.356 2.686 1.782 117 HD22 LEU 16 HD22 LEU 16 3.507 1.502 3.073 118 HD23 LEU 16 HD23 LEU 16 1.914 2.059 2.579 119 H GLU 17 H GLU 17 4.453 -2.496 4.099 120 HA GLU 17 HA GLU 17 3.309 -4.947 3.332 121 HB2 GLU 17 HB2 GLU 17 5.450 -5.250 4.148 122 HB3 GLU 17 HB1 GLU 17 5.238 -4.065 5.434 123 HG2 GLU 17 HG2 GLU 17 4.254 -5.593 6.871 124 HG3 GLU 17 HG1 GLU 17 3.648 -6.598 5.556 125 H ASN 18 H ASN 18 2.334 -2.717 5.771 126 HA ASN 18 HA ASN 18 0.951 -4.463 7.551 127 HB2 ASN 18 HB2 ASN 18 1.402 -1.756 7.431 128 HB3 ASN 18 HB1 ASN 18 -0.325 -1.851 7.081 129 HD21 ASN 18 HD21 ASN 18 1.709 -1.453 9.641 130 HD22 ASN 18 HD22 ASN 18 0.793 -2.189 10.866 131 H TYR 19 H TYR 19 0.181 -3.396 4.351 132 HA TYR 19 HA TYR 19 -2.613 -4.379 4.671 133 HB2 TYR 19 HB2 TYR 19 -1.752 -3.123 2.115 134 HB3 TYR 19 HB1 TYR 19 -3.258 -2.938 3.008 135 HD1 TYR 19 HD2 TYR 19 -2.306 -2.184 5.692 136 HD2 TYR 19 HD1 TYR 19 -0.933 -0.927 1.818 137 HE1 TYR 19 HE2 TYR 19 -1.468 -0.067 6.676 138 HE2 TYR 19 HE1 TYR 19 -0.095 1.190 2.803 139 HH TYR 19 HH TYR 19 0.605 2.054 4.978 140 H CYS 20 H CYS 20 0.015 -5.962 4.251 141 HA CYS 20 HA CYS 20 0.038 -7.098 1.654 142 HB2 CYS 20 HB2 CYS 20 0.724 -8.294 4.346 143 HB3 CYS 20 HB1 CYS 20 0.987 -9.147 2.827 144 H ASN 21 H ASN 21 -2.279 -7.360 4.169 145 HA ASN 21 HA ASN 21 -3.393 -9.917 3.284 146 HB2 ASN 21 HB2 ASN 21 -4.390 -7.784 5.186 147 HB3 ASN 21 HB1 ASN 21 -5.269 -9.277 4.856 148 HD21 ASN 21 HD21 ASN 21 -4.806 -10.922 6.317 149 HD22 ASN 21 HD22 ASN 21 -3.347 -11.094 7.166 150 H1 PHE 1 HT1 PHE 1 11.242 0.437 -4.353 151 H2 PHE 1 HT2 PHE 1 10.952 1.032 -5.918 152 H3 PHE 1 HT3 PHE 1 10.136 -0.352 -5.367 153 HA PHE 1 HA PHE 1 8.846 1.820 -5.385 154 HB2 PHE 1 HB2 PHE 1 8.184 -0.281 -4.183 155 HB3 PHE 1 HB1 PHE 1 9.077 0.293 -2.775 156 HD1 PHE 1 HD1 PHE 1 7.125 2.425 -5.119 157 HD2 PHE 1 HD2 PHE 1 7.264 0.583 -1.239 158 HE1 PHE 1 HE1 PHE 1 5.162 3.763 -4.414 159 HE2 PHE 1 HE2 PHE 1 5.300 1.923 -0.533 160 HZ PHE 1 HZ PHE 1 4.249 3.514 -2.120 161 H VAL 2 H VAL 2 9.264 3.937 -5.011 162 HA VAL 2 HA VAL 2 11.099 4.636 -2.762 163 HB VAL 2 HB VAL 2 11.052 6.922 -4.059 164 HG11 VAL 2 HG11 VAL 2 12.570 5.317 -5.832 165 HG12 VAL 2 HG12 VAL 2 12.625 4.513 -4.263 166 HG13 VAL 2 HG13 VAL 2 13.151 6.190 -4.414 167 HG21 VAL 2 HG21 VAL 2 10.484 6.802 -6.358 168 HG22 VAL 2 HG22 VAL 2 9.160 5.973 -5.540 169 HG23 VAL 2 HG23 VAL 2 10.427 5.040 -6.337 170 H ASN 3 H ASN 3 10.455 7.186 -2.203 171 HA ASN 3 HA ASN 3 7.786 6.914 -0.983 172 HB2 ASN 3 HB2 ASN 3 8.387 9.048 0.159 173 HB3 ASN 3 HB1 ASN 3 9.603 7.793 0.402 174 HD21 ASN 3 HD21 ASN 3 8.966 10.892 -1.157 175 HD22 ASN 3 HD22 ASN 3 10.556 11.162 -1.686 176 H GLN 4 H GLN 4 6.130 7.386 -2.373 177 HA GLN 4 HA GLN 4 5.953 10.086 -3.467 178 HB2 GLN 4 HB2 GLN 4 5.416 8.998 -5.804 179 HB3 GLN 4 HB1 GLN 4 7.092 9.314 -5.357 180 HG2 GLN 4 HG2 GLN 4 7.270 6.974 -4.510 181 HG3 GLN 4 HG1 GLN 4 5.630 6.672 -5.088 182 HE21 GLN 4 HE21 GLN 4 6.286 5.140 -6.734 183 HE22 GLN 4 HE22 GLN 4 7.163 5.616 -8.108 184 H HIS 5 H HIS 5 3.770 10.375 -4.522 185 HA HIS 5 HA HIS 5 1.718 9.167 -2.904 186 HB2 HIS 5 HB2 HIS 5 1.229 10.565 -5.535 187 HB3 HIS 5 HB1 HIS 5 0.186 10.515 -4.114 188 HD2 HIS 5 HD2 HIS 5 3.472 12.333 -5.308 189 HE1 HIS 5 HE1 HIS 5 2.084 14.195 -1.775 190 HE2 HIS 5 HE2 HIS 5 3.797 14.321 -3.662 191 H LEU 6 H LEU 6 0.370 7.436 -3.362 192 HA LEU 6 HA LEU 6 0.397 6.275 -6.066 193 HB2 LEU 6 HB2 LEU 6 0.973 4.018 -5.245 194 HB3 LEU 6 HB1 LEU 6 2.292 5.154 -5.013 195 HG LEU 6 HG LEU 6 2.080 3.774 -3.035 196 HD11 LEU 6 HD11 LEU 6 2.270 6.445 -2.940 197 HD12 LEU 6 HD12 LEU 6 2.268 5.445 -1.490 198 HD13 LEU 6 HD13 LEU 6 0.785 6.242 -2.010 199 HD21 LEU 6 HD21 LEU 6 0.132 3.125 -2.102 200 HD22 LEU 6 HD22 LEU 6 -0.607 3.695 -3.595 201 HD23 LEU 6 HD23 LEU 6 -0.554 4.746 -2.179 202 H CYS 7 H CYS 7 -1.417 4.952 -6.479 203 HA CYS 7 HA CYS 7 -3.319 4.352 -4.324 204 HB2 CYS 7 HB2 CYS 7 -3.960 6.380 -6.484 205 HB3 CYS 7 HB1 CYS 7 -5.181 5.605 -5.478 206 H GLY 8 H GLY 8 -5.424 3.457 -5.455 207 HA2 GLY 8 HA2 GLY 8 -6.181 1.557 -6.628 208 HA3 GLY 8 HA1 GLY 8 -5.707 2.540 -8.009 209 H SER 9 H SER 9 -4.697 1.182 -9.379 210 HA SER 9 HA SER 9 -3.366 -1.209 -8.771 211 HB2 SER 9 HB2 SER 9 -3.856 -0.906 -11.045 212 HB3 SER 9 HB1 SER 9 -3.172 0.717 -11.071 213 HG SER 9 HG SER 9 -1.921 -1.779 -11.194 214 H ASP 10 H ASP 10 -2.245 2.055 -8.457 215 HA ASP 10 HA ASP 10 0.577 1.340 -8.366 216 HB2 ASP 10 HB2 ASP 10 -1.032 3.797 -7.966 217 HB3 ASP 10 HB1 ASP 10 0.466 3.714 -7.038 218 H LEU 11 H LEU 11 -2.061 1.396 -6.122 219 HA LEU 11 HA LEU 11 -0.490 1.428 -3.704 220 HB2 LEU 11 HB2 LEU 11 -3.284 0.594 -4.421 221 HB3 LEU 11 HB1 LEU 11 -2.620 0.080 -2.872 222 HG LEU 11 HG LEU 11 -2.310 2.946 -3.657 223 HD11 LEU 11 HD11 LEU 11 -4.697 2.348 -4.125 224 HD12 LEU 11 HD12 LEU 11 -4.523 3.494 -2.796 225 HD13 LEU 11 HD13 LEU 11 -4.847 1.793 -2.458 226 HD21 LEU 11 HD21 LEU 11 -2.881 1.513 -1.043 227 HD22 LEU 11 HD22 LEU 11 -2.522 3.231 -1.217 228 HD23 LEU 11 HD23 LEU 11 -1.288 2.029 -1.594 229 H VAL 12 H VAL 12 -1.463 -1.046 -5.986 230 HA VAL 12 HA VAL 12 -0.414 -3.183 -4.279 231 HB VAL 12 HB VAL 12 -0.665 -4.587 -6.382 232 HG11 VAL 12 HG11 VAL 12 -2.923 -4.956 -5.901 233 HG12 VAL 12 HG12 VAL 12 -3.242 -3.244 -5.619 234 HG13 VAL 12 HG13 VAL 12 -2.336 -4.180 -4.431 235 HG21 VAL 12 HG21 VAL 12 -2.027 -3.657 -8.179 236 HG22 VAL 12 HG22 VAL 12 -0.567 -2.690 -7.973 237 HG23 VAL 12 HG23 VAL 12 -2.109 -2.106 -7.346 238 H GLU 13 H GLU 13 0.647 -1.467 -7.248 239 HA GLU 13 HA GLU 13 2.971 -2.869 -7.825 240 HB2 GLU 13 HB2 GLU 13 2.551 -0.956 -9.171 241 HB3 GLU 13 HB1 GLU 13 2.436 0.104 -7.768 242 HG2 GLU 13 HG2 GLU 13 4.673 0.440 -7.704 243 HG3 GLU 13 HG1 GLU 13 5.017 -1.273 -7.950 244 H ALA 14 H ALA 14 2.262 -0.755 -5.181 245 HA ALA 14 HA ALA 14 4.915 -0.789 -3.994 246 HB1 ALA 14 HB1 ALA 14 2.377 -0.169 -2.506 247 HB2 ALA 14 HB2 ALA 14 2.955 0.945 -3.745 248 HB3 ALA 14 HB3 ALA 14 3.964 0.585 -2.344 249 H LEU 15 H LEU 15 1.784 -2.114 -2.998 250 HA LEU 15 HA LEU 15 2.943 -3.881 -1.013 251 HB2 LEU 15 HB2 LEU 15 0.220 -3.480 -2.219 252 HB3 LEU 15 HB1 LEU 15 0.528 -4.879 -1.191 253 HG LEU 15 HG LEU 15 1.582 -2.397 -0.054 254 HD11 LEU 15 HD11 LEU 15 -0.259 -1.072 -0.033 255 HD12 LEU 15 HD12 LEU 15 -1.342 -2.436 0.237 256 HD13 LEU 15 HD13 LEU 15 -0.807 -2.045 -1.397 257 HD21 LEU 15 HD21 LEU 15 1.428 -4.301 1.351 258 HD22 LEU 15 HD22 LEU 15 -0.206 -4.676 0.804 259 HD23 LEU 15 HD23 LEU 15 0.076 -3.287 1.853 260 H TYR 16 H TYR 16 3.075 -4.063 -4.278 261 HA TYR 16 HA TYR 16 2.472 -6.921 -4.578 262 HB2 TYR 16 HB2 TYR 16 1.842 -5.911 -6.542 263 HB3 TYR 16 HB1 TYR 16 3.012 -4.611 -6.369 264 HD1 TYR 16 HD1 TYR 16 2.867 -8.295 -7.023 265 HD2 TYR 16 HD2 TYR 16 4.882 -4.568 -7.729 266 HE1 TYR 16 HE1 TYR 16 4.391 -9.424 -8.629 267 HE2 TYR 16 HE2 TYR 16 6.407 -5.692 -9.335 268 HH TYR 16 HH TYR 16 5.916 -9.065 -10.278 269 H LEU 17 H LEU 17 5.314 -4.774 -4.664 270 HA LEU 17 HA LEU 17 7.026 -7.187 -4.863 271 HB2 LEU 17 HB2 LEU 17 8.780 -5.087 -4.720 272 HB3 LEU 17 HB1 LEU 17 8.165 -5.798 -6.201 273 HG LEU 17 HG LEU 17 6.249 -4.155 -6.094 274 HD11 LEU 17 HD11 LEU 17 7.599 -2.181 -4.524 275 HD12 LEU 17 HD12 LEU 17 7.436 -3.644 -3.552 276 HD13 LEU 17 HD13 LEU 17 6.006 -2.888 -4.255 277 HD21 LEU 17 HD21 LEU 17 7.579 -3.185 -7.630 278 HD22 LEU 17 HD22 LEU 17 9.030 -3.723 -6.786 279 HD23 LEU 17 HD23 LEU 17 8.258 -2.204 -6.330 280 H VAL 18 H VAL 18 5.612 -5.403 -2.461 281 HA VAL 18 HA VAL 18 7.874 -5.795 -0.578 282 HB VAL 18 HB VAL 18 6.779 -4.358 0.928 283 HG11 VAL 18 HG11 VAL 18 5.764 -2.531 -0.733 284 HG12 VAL 18 HG12 VAL 18 6.543 -3.566 -1.929 285 HG13 VAL 18 HG13 VAL 18 7.496 -2.842 -0.641 286 HG21 VAL 18 HG21 VAL 18 4.372 -3.621 0.462 287 HG22 VAL 18 HG22 VAL 18 4.597 -5.263 1.068 288 HG23 VAL 18 HG23 VAL 18 4.297 -4.987 -0.646 289 H CYS 19 H CYS 19 4.517 -6.710 -1.085 290 HA CYS 19 HA CYS 19 4.656 -8.678 1.118 291 HB2 CYS 19 HB2 CYS 19 2.375 -8.115 -0.805 292 HB3 CYS 19 HB1 CYS 19 2.286 -9.048 0.689 293 H GLY 20 H GLY 20 3.279 -9.024 -2.159 294 HA2 GLY 20 HA2 GLY 20 3.843 -10.582 -3.849 295 HA3 GLY 20 HA1 GLY 20 5.193 -11.125 -2.854 296 H GLU 21 H GLU 21 2.399 -12.184 -4.160 297 HA GLU 21 HA GLU 21 0.812 -13.841 -3.589 298 HB2 GLU 21 HB2 GLU 21 3.263 -14.872 -3.854 299 HB3 GLU 21 HB1 GLU 21 2.995 -15.284 -2.162 300 HG2 GLU 21 HG2 GLU 21 0.633 -16.082 -3.100 301 HG3 GLU 21 HG1 GLU 21 1.551 -16.242 -4.599 302 H ARG 22 H ARG 22 1.200 -11.710 -1.531 303 HA ARG 22 HA ARG 22 0.640 -13.282 0.943 304 HB2 ARG 22 HB2 ARG 22 2.118 -10.880 0.425 305 HB3 ARG 22 HB1 ARG 22 0.768 -10.492 1.493 306 HG2 ARG 22 HG2 ARG 22 2.894 -12.607 1.923 307 HG3 ARG 22 HG1 ARG 22 2.621 -11.156 2.888 308 HD2 ARG 22 HD2 ARG 22 1.089 -12.219 4.146 309 HD3 ARG 22 HD1 ARG 22 0.178 -12.684 2.710 310 HE ARG 22 HE ARG 22 2.290 -14.465 2.732 311 HH11 ARG 22 HH21 ARG 22 -0.734 -14.106 4.115 312 HH12 ARG 22 HH22 ARG 22 -0.521 -15.316 5.335 313 HH21 ARG 22 HH11 ARG 22 2.859 -15.750 4.694 314 HH22 ARG 22 HH12 ARG 22 1.512 -16.246 5.664 315 H GLY 23 H GLY 23 -1.151 -12.387 -1.483 316 HA2 GLY 23 HA2 GLY 23 -3.447 -11.924 -1.685 317 HA3 GLY 23 HA1 GLY 23 -3.562 -12.070 0.070 318 H ALA 24 H ALA 24 -2.535 -9.822 -2.497 319 HA ALA 24 HA ALA 24 -2.734 -7.560 -0.597 320 HB1 ALA 24 HB1 ALA 24 -2.077 -6.273 -2.761 321 HB2 ALA 24 HB2 ALA 24 -1.744 -7.873 -3.424 322 HB3 ALA 24 HB3 ALA 24 -0.865 -7.307 -2.003 323 H PHE 25 H PHE 25 -5.184 -8.823 -1.019 324 HA PHE 25 HA PHE 25 -6.607 -7.060 -2.941 325 HB2 PHE 25 HB2 PHE 25 -8.531 -8.686 -2.477 326 HB3 PHE 25 HB1 PHE 25 -7.144 -9.346 -3.344 327 HD1 PHE 25 HD1 PHE 25 -8.928 -9.247 -0.117 328 HD2 PHE 25 HD2 PHE 25 -5.614 -10.917 -2.284 329 HE1 PHE 25 HE1 PHE 25 -8.615 -10.941 1.668 330 HE2 PHE 25 HE2 PHE 25 -5.301 -12.611 -0.498 331 HZ PHE 25 HZ PHE 25 -6.802 -12.623 1.478 332 H TYR 26 H TYR 26 -7.347 -5.225 -1.980 333 HA TYR 26 HA TYR 26 -8.518 -5.481 0.761 334 HB2 TYR 26 HB2 TYR 26 -7.961 -2.880 0.725 335 HB3 TYR 26 HB1 TYR 26 -6.736 -4.062 1.182 336 HD1 TYR 26 HD1 TYR 26 -8.166 -2.803 -2.062 337 HD2 TYR 26 HD2 TYR 26 -4.646 -3.620 0.265 338 HE1 TYR 26 HE1 TYR 26 -6.743 -2.066 -3.955 339 HE2 TYR 26 HE2 TYR 26 -3.224 -2.882 -1.628 340 HH TYR 26 HH TYR 26 -4.623 -1.430 -4.520 341 H THR 27 H THR 27 -9.075 -4.726 -2.501 342 HA THR 27 HA THR 27 -11.501 -3.124 -1.828 343 HB THR 27 HB THR 27 -9.901 -2.197 -3.524 344 HG1 THR 27 HG1 THR 27 -12.231 -2.906 -4.898 345 HG21 THR 27 HG21 THR 27 -9.372 -4.564 -4.398 346 HG22 THR 27 HG22 THR 27 -9.534 -3.280 -5.595 347 HG23 THR 27 HG23 THR 27 -10.860 -4.413 -5.332 348 H LYS 28 H LYS 28 -13.280 -4.396 -1.582 349 HA LYS 28 HA LYS 28 -13.842 -6.426 -3.669 350 HB2 LYS 28 HB2 LYS 28 -14.578 -8.009 -1.786 351 HB3 LYS 28 HB1 LYS 28 -12.840 -7.829 -2.026 352 HG2 LYS 28 HG2 LYS 28 -12.857 -6.047 -0.243 353 HG3 LYS 28 HG1 LYS 28 -14.540 -6.465 0.076 354 HD2 LYS 28 HD2 LYS 28 -12.330 -8.527 0.120 355 HD3 LYS 28 HD1 LYS 28 -12.800 -7.616 1.557 356 HE2 LYS 28 HE2 LYS 28 -14.991 -8.528 1.554 357 HE3 LYS 28 HE1 LYS 28 -14.829 -9.119 -0.101 358 HZ1 LYS 28 HZ1 LYS 28 -13.567 -10.165 2.358 359 HZ2 LYS 28 HZ2 LYS 28 -12.938 -10.523 0.820 360 HZ3 LYS 28 HZ3 LYS 28 -14.521 -10.990 1.225 361 HA PRO 29 HA PRO 29 -17.565 -4.008 -2.662 362 HB2 PRO 29 HB2 PRO 29 -18.396 -3.860 -5.279 363 HB3 PRO 29 HB1 PRO 29 -17.261 -2.713 -4.545 364 HG2 PRO 29 HG2 PRO 29 -16.713 -4.925 -6.469 365 HG3 PRO 29 HG1 PRO 29 -15.815 -3.422 -6.201 366 HD2 PRO 29 HD2 PRO 29 -15.086 -5.982 -5.238 367 HD3 PRO 29 HD1 PRO 29 -14.395 -4.433 -4.713 368 H THR 30 H THR 30 -18.652 -5.780 -1.654 369 HA THR 30 HA THR 30 -20.128 -7.565 -3.547 370 HB THR 30 HB THR 30 -19.824 -9.429 -2.110 371 HG1 THR 30 HG1 THR 30 -18.480 -7.926 -0.175 372 HG21 THR 30 HG21 THR 30 -17.153 -8.207 -1.622 373 HG22 THR 30 HG22 THR 30 -17.701 -8.290 -3.297 374 HG23 THR 30 HG23 THR 30 -17.564 -9.765 -2.340 Start of MODEL 18 1 H1 GLY 1 HT1 GLY 1 -8.676 5.966 3.604 2 H2 GLY 1 HT2 GLY 1 -9.936 6.282 4.699 3 H3 GLY 1 HT3 GLY 1 -10.269 5.529 3.212 4 HA2 GLY 1 HA1 GLY 1 -9.496 4.285 5.595 5 HA3 GLY 1 HA2 GLY 1 -10.083 3.502 4.098 6 H ILE 2 H ILE 2 -7.857 2.591 3.453 7 HA ILE 2 HA ILE 2 -5.856 2.534 5.626 8 HB ILE 2 HB ILE 2 -6.506 0.397 4.631 9 HG12 ILE 2 HG12 ILE 2 -4.255 -0.410 3.967 10 HG13 ILE 2 HG11 ILE 2 -3.716 1.261 3.804 11 HG21 ILE 2 HG21 ILE 2 -7.132 0.530 2.454 12 HG22 ILE 2 HG22 ILE 2 -5.415 0.325 2.105 13 HG23 ILE 2 HG23 ILE 2 -6.117 1.942 2.157 14 HD11 ILE 2 HD11 ILE 2 -3.218 1.271 5.997 15 HD12 ILE 2 HD12 ILE 2 -3.892 -0.347 6.189 16 HD13 ILE 2 HD13 ILE 2 -4.934 1.068 6.351 17 H VAL 3 H VAL 3 -6.301 3.888 2.444 18 HA VAL 3 HA VAL 3 -3.432 4.694 2.363 19 HB VAL 3 HB VAL 3 -3.756 5.142 0.029 20 HG11 VAL 3 HG11 VAL 3 -3.544 2.898 -0.147 21 HG12 VAL 3 HG12 VAL 3 -5.283 2.884 -0.440 22 HG13 VAL 3 HG13 VAL 3 -4.660 2.608 1.188 23 HG21 VAL 3 HG21 VAL 3 -5.836 6.283 -0.037 24 HG22 VAL 3 HG22 VAL 3 -6.685 4.946 0.739 25 HG23 VAL 3 HG23 VAL 3 -6.127 4.788 -0.926 26 H GLU 4 H GLU 4 -6.087 5.849 3.751 27 HA GLU 4 HA GLU 4 -6.759 8.362 2.877 28 HB2 GLU 4 HB2 GLU 4 -6.900 9.056 5.272 29 HB3 GLU 4 HB1 GLU 4 -7.618 7.472 4.980 30 HG2 GLU 4 HG2 GLU 4 -6.035 6.385 6.207 31 HG3 GLU 4 HG1 GLU 4 -4.734 7.425 5.624 32 H GLN 5 H GLN 5 -3.625 7.375 4.104 33 HA GLN 5 HA GLN 5 -2.692 10.198 3.885 34 HB2 GLN 5 HB2 GLN 5 -0.560 8.881 4.948 35 HB3 GLN 5 HB1 GLN 5 -1.827 9.631 5.917 36 HG2 GLN 5 HG2 GLN 5 -2.962 7.560 6.226 37 HG3 GLN 5 HG1 GLN 5 -2.028 6.772 4.954 38 HE21 GLN 5 HE21 GLN 5 -0.266 5.568 5.674 39 HE22 GLN 5 HE22 GLN 5 0.499 5.765 7.177 40 H CYS 6 H CYS 6 -1.201 6.989 3.304 41 HA CYS 6 HA CYS 6 0.821 7.668 1.593 42 HB2 CYS 6 HB2 CYS 6 -1.071 5.366 1.076 43 HB3 CYS 6 HB1 CYS 6 0.619 5.475 0.583 44 H CYS 7 H CYS 7 -2.606 7.356 0.653 45 HA CYS 7 HA CYS 7 -2.181 7.848 -2.133 46 HB2 CYS 7 HB2 CYS 7 -4.468 7.722 -0.295 47 HB3 CYS 7 HB1 CYS 7 -4.695 8.825 -1.646 48 H THR 8 H THR 8 -2.481 10.002 0.635 49 HA THR 8 HA THR 8 -2.392 12.331 -1.235 50 HB THR 8 HB THR 8 -4.263 12.477 0.283 51 HG1 THR 8 HG1 THR 8 -3.736 14.479 0.493 52 HG21 THR 8 HG21 THR 8 -3.479 10.878 1.964 53 HG22 THR 8 HG22 THR 8 -3.920 12.400 2.739 54 HG23 THR 8 HG23 THR 8 -2.222 12.005 2.473 55 H SER 9 H SER 9 -0.421 10.461 0.751 56 HA SER 9 HA SER 9 1.677 12.542 0.658 57 HB2 SER 9 HB2 SER 9 2.098 11.531 3.167 58 HB3 SER 9 HB1 SER 9 1.300 13.058 2.825 59 HG SER 9 HG SER 9 -0.379 12.176 3.719 60 H ILE 10 H ILE 10 3.594 11.193 2.171 61 HA ILE 10 HA ILE 10 3.898 8.656 0.617 62 HB ILE 10 HB ILE 10 6.350 9.916 1.666 63 HG12 ILE 10 HG12 ILE 10 4.888 11.896 0.977 64 HG13 ILE 10 HG11 ILE 10 6.422 11.755 0.119 65 HG21 ILE 10 HG21 ILE 10 6.762 9.550 -0.956 66 HG22 ILE 10 HG22 ILE 10 5.369 8.487 -0.759 67 HG23 ILE 10 HG23 ILE 10 6.828 8.216 0.195 68 HD11 ILE 10 HD11 ILE 10 3.799 11.796 -0.989 69 HD12 ILE 10 HD12 ILE 10 4.467 10.188 -1.269 70 HD13 ILE 10 HD13 ILE 10 5.332 11.615 -1.840 71 H CYS 11 H CYS 11 3.530 7.000 2.032 72 HA CYS 11 HA CYS 11 4.390 7.294 4.858 73 HB2 CYS 11 HB2 CYS 11 3.116 4.802 3.775 74 HB3 CYS 11 HB1 CYS 11 2.950 5.536 5.368 75 H SER 12 H SER 12 4.795 4.427 5.214 76 HA SER 12 HA SER 12 7.457 4.197 3.882 77 HB2 SER 12 HB2 SER 12 7.471 2.343 5.896 78 HB3 SER 12 HB1 SER 12 8.117 3.973 6.036 79 HG SER 12 HG SER 12 5.399 3.361 6.513 80 H LEU 13 H LEU 13 7.392 2.800 2.191 81 HA LEU 13 HA LEU 13 5.298 1.066 1.550 82 HB2 LEU 13 HB2 LEU 13 6.782 -0.012 -0.006 83 HB3 LEU 13 HB1 LEU 13 7.214 1.696 0.038 84 HG LEU 13 HG LEU 13 8.592 -0.399 1.726 85 HD11 LEU 13 HD11 LEU 13 10.394 0.362 -0.207 86 HD12 LEU 13 HD12 LEU 13 8.887 0.297 -1.122 87 HD13 LEU 13 HD13 LEU 13 9.450 -1.128 -0.250 88 HD21 LEU 13 HD21 LEU 13 10.384 1.529 1.496 89 HD22 LEU 13 HD22 LEU 13 9.077 1.680 2.671 90 HD23 LEU 13 HD23 LEU 13 8.972 2.518 1.124 91 H TYR 14 H TYR 14 7.892 0.598 3.820 92 HA TYR 14 HA TYR 14 7.476 -2.271 4.049 93 HB2 TYR 14 HB2 TYR 14 8.561 -1.645 6.470 94 HB3 TYR 14 HB1 TYR 14 9.507 -1.969 5.024 95 HD1 TYR 14 HD2 TYR 14 10.277 -0.029 3.590 96 HD2 TYR 14 HD1 TYR 14 8.520 0.509 7.476 97 HE1 TYR 14 HE2 TYR 14 11.216 2.265 3.696 98 HE2 TYR 14 HE1 TYR 14 9.466 2.800 7.584 99 HH TYR 14 HH TYR 14 10.326 4.544 5.239 100 H GLN 15 H GLN 15 6.119 0.586 5.494 101 HA GLN 15 HA GLN 15 4.641 -0.864 7.533 102 HB2 GLN 15 HB2 GLN 15 4.052 1.216 8.282 103 HB3 GLN 15 HB1 GLN 15 5.380 1.721 7.264 104 HG2 GLN 15 HG2 GLN 15 3.899 2.362 5.496 105 HG3 GLN 15 HG1 GLN 15 2.526 1.563 6.262 106 HE21 GLN 15 HE21 GLN 15 1.661 2.568 8.270 107 HE22 GLN 15 HE22 GLN 15 1.945 4.211 8.585 108 H LEU 16 H LEU 16 4.232 -0.038 4.202 109 HA LEU 16 HA LEU 16 1.369 -0.341 4.065 110 HB2 LEU 16 HB2 LEU 16 3.616 -0.399 2.062 111 HB3 LEU 16 HB1 LEU 16 1.993 -0.890 1.575 112 HG LEU 16 HG LEU 16 1.136 1.280 2.483 113 HD11 LEU 16 HD11 LEU 16 4.081 1.943 2.675 114 HD12 LEU 16 HD12 LEU 16 3.005 1.682 4.047 115 HD13 LEU 16 HD13 LEU 16 2.745 3.056 2.974 116 HD21 LEU 16 HD21 LEU 16 2.987 2.418 0.620 117 HD22 LEU 16 HD22 LEU 16 1.312 1.945 0.337 118 HD23 LEU 16 HD23 LEU 16 2.611 0.778 0.091 119 H GLU 17 H GLU 17 4.073 -2.549 4.111 120 HA GLU 17 HA GLU 17 2.928 -4.865 2.987 121 HB2 GLU 17 HB2 GLU 17 4.467 -6.115 4.346 122 HB3 GLU 17 HB1 GLU 17 5.270 -4.600 3.938 123 HG2 GLU 17 HG2 GLU 17 5.662 -4.618 6.210 124 HG3 GLU 17 HG1 GLU 17 4.097 -3.806 6.200 125 H ASN 18 H ASN 18 2.203 -3.168 5.894 126 HA ASN 18 HA ASN 18 0.896 -5.202 7.398 127 HB2 ASN 18 HB2 ASN 18 1.481 -2.648 7.918 128 HB3 ASN 18 HB1 ASN 18 -0.202 -2.426 7.439 129 HD21 ASN 18 HD21 ASN 18 -1.597 -2.553 9.194 130 HD22 ASN 18 HD22 ASN 18 -1.362 -3.527 10.564 131 H TYR 19 H TYR 19 0.011 -3.788 4.428 132 HA TYR 19 HA TYR 19 -2.869 -4.373 4.830 133 HB2 TYR 19 HB2 TYR 19 -1.695 -3.348 2.260 134 HB3 TYR 19 HB1 TYR 19 -3.305 -3.088 2.921 135 HD1 TYR 19 HD2 TYR 19 -2.062 -2.560 5.820 136 HD2 TYR 19 HD1 TYR 19 -1.414 -0.912 1.904 137 HE1 TYR 19 HE2 TYR 19 -1.298 -0.431 6.841 138 HE2 TYR 19 HE1 TYR 19 -0.656 1.215 2.925 139 HH TYR 19 HH TYR 19 0.414 1.607 5.776 140 H CYS 20 H CYS 20 -0.211 -6.120 4.042 141 HA CYS 20 HA CYS 20 -0.739 -7.467 1.651 142 HB2 CYS 20 HB2 CYS 20 0.287 -8.587 4.269 143 HB3 CYS 20 HB1 CYS 20 0.325 -9.469 2.745 144 H ASN 21 H ASN 21 -2.539 -7.527 4.600 145 HA ASN 21 HA ASN 21 -4.499 -9.350 3.318 146 HB2 ASN 21 HB2 ASN 21 -2.936 -9.900 5.786 147 HB3 ASN 21 HB1 ASN 21 -4.660 -10.267 5.858 148 HD21 ASN 21 HD21 ASN 21 -3.362 -12.546 6.003 149 HD22 ASN 21 HD22 ASN 21 -3.217 -13.351 4.517 150 H1 PHE 1 HT1 PHE 1 10.973 1.211 -5.518 151 H2 PHE 1 HT2 PHE 1 9.744 0.882 -6.642 152 H3 PHE 1 HT3 PHE 1 9.912 -0.085 -5.256 153 HA PHE 1 HA PHE 1 8.078 1.699 -5.299 154 HB2 PHE 1 HB2 PHE 1 9.368 0.363 -3.310 155 HB3 PHE 1 HB1 PHE 1 9.720 2.031 -2.860 156 HD1 PHE 1 HD2 PHE 1 7.611 3.684 -3.111 157 HD2 PHE 1 HD1 PHE 1 7.384 -0.568 -2.521 158 HE1 PHE 1 HE2 PHE 1 5.313 3.929 -2.211 159 HE2 PHE 1 HE1 PHE 1 5.088 -0.322 -1.622 160 HZ PHE 1 HZ PHE 1 4.049 1.927 -1.469 161 H VAL 2 H VAL 2 7.702 3.936 -4.999 162 HA VAL 2 HA VAL 2 10.137 5.655 -5.271 163 HB VAL 2 HB VAL 2 8.338 7.271 -6.316 164 HG11 VAL 2 HG11 VAL 2 10.016 5.137 -7.402 165 HG12 VAL 2 HG12 VAL 2 9.795 6.789 -7.977 166 HG13 VAL 2 HG13 VAL 2 8.661 5.528 -8.461 167 HG21 VAL 2 HG21 VAL 2 6.505 5.586 -5.689 168 HG22 VAL 2 HG22 VAL 2 7.123 4.588 -7.005 169 HG23 VAL 2 HG23 VAL 2 6.475 6.193 -7.345 170 H ASN 3 H ASN 3 9.254 8.092 -4.699 171 HA ASN 3 HA ASN 3 7.933 7.829 -2.026 172 HB2 ASN 3 HB2 ASN 3 10.242 9.545 -2.940 173 HB3 ASN 3 HB1 ASN 3 9.289 9.974 -1.518 174 HD21 ASN 3 HD21 ASN 3 10.667 9.405 0.204 175 HD22 ASN 3 HD22 ASN 3 11.351 7.864 0.407 176 H GLN 4 H GLN 4 6.030 8.158 -3.692 177 HA GLN 4 HA GLN 4 5.363 11.038 -3.611 178 HB2 GLN 4 HB2 GLN 4 4.681 11.093 -5.932 179 HB3 GLN 4 HB1 GLN 4 6.350 10.530 -5.871 180 HG2 GLN 4 HG2 GLN 4 5.443 8.162 -5.894 181 HG3 GLN 4 HG1 GLN 4 3.857 8.854 -6.241 182 HE21 GLN 4 HE21 GLN 4 3.435 9.528 -8.392 183 HE22 GLN 4 HE22 GLN 4 4.580 9.452 -9.641 184 H HIS 5 H HIS 5 2.941 11.072 -4.710 185 HA HIS 5 HA HIS 5 1.342 9.454 -2.888 186 HB2 HIS 5 HB2 HIS 5 0.308 11.106 -5.197 187 HB3 HIS 5 HB1 HIS 5 -0.531 10.688 -3.704 188 HD2 HIS 5 HD2 HIS 5 2.597 12.919 -4.728 189 HE1 HIS 5 HE1 HIS 5 0.910 14.401 -1.144 190 HE2 HIS 5 HE2 HIS 5 2.700 14.789 -2.920 191 H LEU 6 H LEU 6 0.091 7.649 -3.422 192 HA LEU 6 HA LEU 6 -0.074 6.844 -6.248 193 HB2 LEU 6 HB2 LEU 6 0.797 4.574 -5.785 194 HB3 LEU 6 HB1 LEU 6 2.018 5.816 -5.565 195 HG LEU 6 HG LEU 6 2.181 4.202 -3.767 196 HD11 LEU 6 HD11 LEU 6 0.831 6.394 -2.290 197 HD12 LEU 6 HD12 LEU 6 2.148 6.858 -3.367 198 HD13 LEU 6 HD13 LEU 6 2.437 5.704 -2.067 199 HD21 LEU 6 HD21 LEU 6 -0.392 4.809 -2.496 200 HD22 LEU 6 HD22 LEU 6 0.436 3.266 -2.690 201 HD23 LEU 6 HD23 LEU 6 -0.533 3.914 -4.010 202 H CYS 7 H CYS 7 -1.793 5.453 -6.678 203 HA CYS 7 HA CYS 7 -3.406 4.346 -4.484 204 HB2 CYS 7 HB2 CYS 7 -4.628 6.402 -6.348 205 HB3 CYS 7 HB1 CYS 7 -5.434 5.567 -5.023 206 H GLY 8 H GLY 8 -5.485 3.341 -5.536 207 HA2 GLY 8 HA2 GLY 8 -6.351 1.779 -7.047 208 HA3 GLY 8 HA1 GLY 8 -5.639 2.784 -8.306 209 H SER 9 H SER 9 -4.785 1.193 -9.604 210 HA SER 9 HA SER 9 -3.536 -1.200 -8.792 211 HB2 SER 9 HB2 SER 9 -3.335 0.511 -11.250 212 HB3 SER 9 HB1 SER 9 -2.254 -0.866 -11.060 213 HG SER 9 HG SER 9 -4.487 -1.105 -12.080 214 H ASP 10 H ASP 10 -2.405 2.032 -8.550 215 HA ASP 10 HA ASP 10 0.425 1.306 -8.507 216 HB2 ASP 10 HB2 ASP 10 -1.092 3.830 -7.834 217 HB3 ASP 10 HB1 ASP 10 0.642 3.687 -7.550 218 H LEU 11 H LEU 11 -2.172 1.595 -6.213 219 HA LEU 11 HA LEU 11 -0.516 1.653 -3.850 220 HB2 LEU 11 HB2 LEU 11 -3.380 1.215 -4.451 221 HB3 LEU 11 HB1 LEU 11 -2.785 0.382 -3.017 222 HG LEU 11 HG LEU 11 -2.221 3.306 -3.516 223 HD11 LEU 11 HD11 LEU 11 -4.505 2.080 -1.940 224 HD12 LEU 11 HD12 LEU 11 -4.670 2.959 -3.460 225 HD13 LEU 11 HD13 LEU 11 -4.112 3.797 -2.011 226 HD21 LEU 11 HD21 LEU 11 -0.822 2.041 -1.877 227 HD22 LEU 11 HD22 LEU 11 -2.289 1.624 -0.991 228 HD23 LEU 11 HD23 LEU 11 -1.781 3.308 -1.111 229 H VAL 12 H VAL 12 -1.647 -0.831 -6.020 230 HA VAL 12 HA VAL 12 -0.757 -2.970 -4.224 231 HB VAL 12 HB VAL 12 -1.073 -4.436 -6.272 232 HG11 VAL 12 HG11 VAL 12 -3.593 -2.933 -5.674 233 HG12 VAL 12 HG12 VAL 12 -2.767 -3.794 -4.377 234 HG13 VAL 12 HG13 VAL 12 -3.332 -4.673 -5.798 235 HG21 VAL 12 HG21 VAL 12 -2.369 -3.487 -8.122 236 HG22 VAL 12 HG22 VAL 12 -0.828 -2.651 -7.954 237 HG23 VAL 12 HG23 VAL 12 -2.309 -1.896 -7.366 238 H GLU 13 H GLU 13 0.410 -1.447 -7.261 239 HA GLU 13 HA GLU 13 2.656 -2.990 -7.751 240 HB2 GLU 13 HB2 GLU 13 3.455 -1.209 -8.988 241 HB3 GLU 13 HB1 GLU 13 1.813 -0.629 -8.734 242 HG2 GLU 13 HG2 GLU 13 2.725 0.498 -6.604 243 HG3 GLU 13 HG1 GLU 13 4.327 0.180 -7.267 244 H ALA 14 H ALA 14 2.016 -0.813 -5.161 245 HA ALA 14 HA ALA 14 4.686 -0.946 -3.981 246 HB1 ALA 14 HB1 ALA 14 2.032 0.266 -3.239 247 HB2 ALA 14 HB2 ALA 14 3.568 1.081 -3.535 248 HB3 ALA 14 HB3 ALA 14 3.327 0.168 -2.044 249 H LEU 15 H LEU 15 1.443 -2.032 -3.068 250 HA LEU 15 HA LEU 15 2.410 -3.742 -0.926 251 HB2 LEU 15 HB2 LEU 15 -0.260 -3.322 -2.264 252 HB3 LEU 15 HB1 LEU 15 -0.031 -4.550 -1.018 253 HG LEU 15 HG LEU 15 0.948 -1.776 -0.462 254 HD11 LEU 15 HD11 LEU 15 -1.751 -2.109 0.502 255 HD12 LEU 15 HD12 LEU 15 -1.726 -2.274 -1.253 256 HD13 LEU 15 HD13 LEU 15 -1.088 -0.814 -0.496 257 HD21 LEU 15 HD21 LEU 15 1.417 -3.291 1.271 258 HD22 LEU 15 HD22 LEU 15 -0.116 -4.140 1.072 259 HD23 LEU 15 HD23 LEU 15 -0.084 -2.538 1.809 260 H TYR 16 H TYR 16 2.642 -4.082 -4.161 261 HA TYR 16 HA TYR 16 1.907 -6.930 -4.344 262 HB2 TYR 16 HB2 TYR 16 1.338 -6.062 -6.384 263 HB3 TYR 16 HB1 TYR 16 2.446 -4.711 -6.223 264 HD1 TYR 16 HD1 TYR 16 2.790 -8.443 -6.428 265 HD2 TYR 16 HD2 TYR 16 4.031 -4.596 -7.878 266 HE1 TYR 16 HE1 TYR 16 4.408 -9.543 -7.960 267 HE2 TYR 16 HE2 TYR 16 5.647 -5.691 -9.413 268 HH TYR 16 HH TYR 16 5.751 -8.123 -10.541 269 H LEU 17 H LEU 17 4.781 -4.860 -4.562 270 HA LEU 17 HA LEU 17 6.494 -7.256 -4.740 271 HB2 LEU 17 HB2 LEU 17 8.240 -5.155 -4.455 272 HB3 LEU 17 HB1 LEU 17 7.681 -5.812 -5.983 273 HG LEU 17 HG LEU 17 5.748 -4.183 -5.870 274 HD11 LEU 17 HD11 LEU 17 7.458 -2.943 -3.694 275 HD12 LEU 17 HD12 LEU 17 5.931 -3.778 -3.416 276 HD13 LEU 17 HD13 LEU 17 5.960 -2.283 -4.352 277 HD21 LEU 17 HD21 LEU 17 8.128 -2.455 -5.828 278 HD22 LEU 17 HD22 LEU 17 6.972 -2.754 -7.126 279 HD23 LEU 17 HD23 LEU 17 8.289 -3.891 -6.839 280 H VAL 18 H VAL 18 5.118 -5.358 -2.325 281 HA VAL 18 HA VAL 18 7.263 -5.920 -0.367 282 HB VAL 18 HB VAL 18 5.998 -4.627 1.193 283 HG11 VAL 18 HG11 VAL 18 6.207 -3.617 -1.584 284 HG12 VAL 18 HG12 VAL 18 6.851 -2.940 -0.089 285 HG13 VAL 18 HG13 VAL 18 5.157 -2.691 -0.512 286 HG21 VAL 18 HG21 VAL 18 3.716 -5.015 -0.749 287 HG22 VAL 18 HG22 VAL 18 3.661 -3.864 0.584 288 HG23 VAL 18 HG23 VAL 18 3.816 -5.590 0.915 289 H CYS 19 H CYS 19 3.933 -6.813 -1.078 290 HA CYS 19 HA CYS 19 3.882 -8.850 1.039 291 HB2 CYS 19 HB2 CYS 19 1.903 -8.280 -1.193 292 HB3 CYS 19 HB1 CYS 19 1.625 -9.352 0.180 293 H GLY 20 H GLY 20 4.230 -8.678 -2.474 294 HA2 GLY 20 HA2 GLY 20 5.041 -10.271 -3.993 295 HA3 GLY 20 HA1 GLY 20 5.659 -11.164 -2.602 296 H GLU 21 H GLU 21 4.404 -12.846 -1.727 297 HA GLU 21 HA GLU 21 2.021 -13.592 -3.370 298 HB2 GLU 21 HB2 GLU 21 4.261 -15.065 -3.034 299 HB3 GLU 21 HB1 GLU 21 3.333 -15.620 -1.639 300 HG2 GLU 21 HG2 GLU 21 2.465 -17.072 -3.190 301 HG3 GLU 21 HG1 GLU 21 1.394 -15.707 -3.510 302 H ARG 22 H ARG 22 2.768 -12.234 -0.468 303 HA ARG 22 HA ARG 22 1.103 -13.745 1.340 304 HB2 ARG 22 HB2 ARG 22 2.818 -11.503 1.507 305 HB3 ARG 22 HB1 ARG 22 1.232 -10.948 2.043 306 HG2 ARG 22 HG2 ARG 22 2.622 -13.440 3.070 307 HG3 ARG 22 HG1 ARG 22 2.591 -11.889 3.910 308 HD2 ARG 22 HD2 ARG 22 0.641 -12.516 4.845 309 HD3 ARG 22 HD1 ARG 22 -0.089 -12.420 3.242 310 HE ARG 22 HE ARG 22 1.182 -14.935 3.404 311 HH11 ARG 22 HH21 ARG 22 -1.792 -14.316 2.927 312 HH12 ARG 22 HH22 ARG 22 -2.516 -15.201 4.228 313 HH21 ARG 22 HH11 ARG 22 0.458 -15.588 5.970 314 HH22 ARG 22 HH12 ARG 22 -1.242 -15.920 5.952 315 H GLY 23 H GLY 23 0.341 -11.804 -1.312 316 HA2 GLY 23 HA2 GLY 23 -2.085 -11.816 -1.931 317 HA3 GLY 23 HA1 GLY 23 -2.427 -11.401 -0.251 318 H ALA 24 H ALA 24 -3.411 -9.774 -2.267 319 HA ALA 24 HA ALA 24 -2.176 -7.225 -1.566 320 HB1 ALA 24 HB1 ALA 24 -2.297 -7.701 -4.519 321 HB2 ALA 24 HB2 ALA 24 -0.917 -8.343 -3.628 322 HB3 ALA 24 HB3 ALA 24 -1.255 -6.613 -3.601 323 H PHE 25 H PHE 25 -4.813 -8.686 -1.538 324 HA PHE 25 HA PHE 25 -6.387 -6.595 -2.963 325 HB2 PHE 25 HB2 PHE 25 -8.183 -8.400 -3.166 326 HB3 PHE 25 HB1 PHE 25 -6.762 -8.615 -4.190 327 HD1 PHE 25 HD2 PHE 25 -5.052 -10.304 -3.644 328 HD2 PHE 25 HD1 PHE 25 -8.606 -9.859 -1.270 329 HE1 PHE 25 HE2 PHE 25 -4.616 -12.503 -2.580 330 HE2 PHE 25 HE1 PHE 25 -8.170 -12.056 -0.205 331 HZ PHE 25 HZ PHE 25 -6.175 -13.378 -0.861 332 H TYR 26 H TYR 26 -7.094 -5.298 -1.316 333 HA TYR 26 HA TYR 26 -8.099 -6.633 1.160 334 HB2 TYR 26 HB2 TYR 26 -7.779 -4.419 2.236 335 HB3 TYR 26 HB1 TYR 26 -6.276 -5.039 1.553 336 HD1 TYR 26 HD1 TYR 26 -9.185 -2.822 0.769 337 HD2 TYR 26 HD2 TYR 26 -5.071 -3.773 -0.026 338 HE1 TYR 26 HE1 TYR 26 -8.990 -0.793 -0.645 339 HE2 TYR 26 HE2 TYR 26 -4.875 -1.744 -1.440 340 HH TYR 26 HH TYR 26 -5.897 0.285 -1.895 341 H THR 27 H THR 27 -9.247 -5.456 -1.675 342 HA THR 27 HA THR 27 -11.463 -3.840 -0.658 343 HB THR 27 HB THR 27 -12.287 -4.174 -3.085 344 HG1 THR 27 HG1 THR 27 -11.070 -6.016 -3.534 345 HG21 THR 27 HG21 THR 27 -10.904 -2.419 -3.830 346 HG22 THR 27 HG22 THR 27 -9.520 -2.997 -2.902 347 HG23 THR 27 HG23 THR 27 -10.884 -2.243 -2.075 348 H LYS 28 H LYS 28 -13.462 -4.587 -0.076 349 HA LYS 28 HA LYS 28 -14.083 -7.453 -0.666 350 HB2 LYS 28 HB2 LYS 28 -13.643 -6.313 1.859 351 HB3 LYS 28 HB1 LYS 28 -15.397 -6.443 1.724 352 HG2 LYS 28 HG2 LYS 28 -15.305 -8.672 2.005 353 HG3 LYS 28 HG1 LYS 28 -14.153 -8.831 0.679 354 HD2 LYS 28 HD2 LYS 28 -12.755 -9.531 2.348 355 HD3 LYS 28 HD1 LYS 28 -12.527 -7.797 2.585 356 HE2 LYS 28 HE2 LYS 28 -14.618 -9.459 4.020 357 HE3 LYS 28 HE1 LYS 28 -13.059 -9.004 4.709 358 HZ1 LYS 28 HZ1 LYS 28 -15.428 -7.399 4.273 359 HZ2 LYS 28 HZ2 LYS 28 -13.965 -6.643 3.854 360 HZ3 LYS 28 HZ3 LYS 28 -14.199 -7.231 5.430 361 HA PRO 29 HA PRO 29 -17.479 -4.940 -2.366 362 HB2 PRO 29 HB2 PRO 29 -17.826 -6.559 -4.560 363 HB3 PRO 29 HB1 PRO 29 -16.658 -5.227 -4.502 364 HG2 PRO 29 HG2 PRO 29 -16.163 -8.164 -4.348 365 HG3 PRO 29 HG1 PRO 29 -15.090 -6.874 -4.913 366 HD2 PRO 29 HD2 PRO 29 -14.958 -8.152 -2.391 367 HD3 PRO 29 HD1 PRO 29 -14.123 -6.651 -2.846 368 H THR 30 H THR 30 -19.628 -6.131 -3.483 369 HA THR 30 HA THR 30 -21.547 -7.379 -2.964 370 HB THR 30 HB THR 30 -21.226 -9.675 -2.765 371 HG1 THR 30 HG1 THR 30 -20.307 -10.106 -0.918 372 HG21 THR 30 HG21 THR 30 -19.691 -8.500 -4.545 373 HG22 THR 30 HG22 THR 30 -19.489 -10.222 -4.217 374 HG23 THR 30 HG23 THR 30 -18.384 -9.051 -3.497 Start of MODEL 19 1 H1 GLY 1 HT1 GLY 1 -10.555 3.227 3.392 2 H2 GLY 1 HT2 GLY 1 -11.433 3.868 4.697 3 H3 GLY 1 HT3 GLY 1 -10.324 2.608 4.955 4 HA2 GLY 1 HA1 GLY 1 -9.047 4.825 3.803 5 HA3 GLY 1 HA2 GLY 1 -9.866 5.335 5.311 6 H ILE 2 H ILE 2 -8.338 2.341 3.862 7 HA ILE 2 HA ILE 2 -6.073 2.305 5.618 8 HB ILE 2 HB ILE 2 -6.862 0.266 4.523 9 HG12 ILE 2 HG12 ILE 2 -4.701 -0.575 3.685 10 HG13 ILE 2 HG11 ILE 2 -4.112 1.081 3.527 11 HG21 ILE 2 HG21 ILE 2 -5.740 0.979 1.882 12 HG22 ILE 2 HG22 ILE 2 -7.215 1.841 2.318 13 HG23 ILE 2 HG23 ILE 2 -7.204 0.078 2.276 14 HD11 ILE 2 HD11 ILE 2 -4.081 -0.590 5.848 15 HD12 ILE 2 HD12 ILE 2 -5.149 0.776 6.169 16 HD13 ILE 2 HD13 ILE 2 -3.478 1.060 5.684 17 H VAL 3 H VAL 3 -6.600 3.669 2.408 18 HA VAL 3 HA VAL 3 -3.756 4.560 2.341 19 HB VAL 3 HB VAL 3 -4.086 4.967 -0.008 20 HG11 VAL 3 HG11 VAL 3 -4.375 2.464 1.169 21 HG12 VAL 3 HG12 VAL 3 -4.032 2.775 -0.531 22 HG13 VAL 3 HG13 VAL 3 -5.694 2.530 0.000 23 HG21 VAL 3 HG21 VAL 3 -6.890 5.102 0.833 24 HG22 VAL 3 HG22 VAL 3 -6.662 4.153 -0.636 25 HG23 VAL 3 HG23 VAL 3 -6.107 5.826 -0.571 26 H GLU 4 H GLU 4 -6.606 5.665 3.518 27 HA GLU 4 HA GLU 4 -7.222 8.160 2.590 28 HB2 GLU 4 HB2 GLU 4 -7.628 8.859 4.933 29 HB3 GLU 4 HB1 GLU 4 -8.216 7.223 4.633 30 HG2 GLU 4 HG2 GLU 4 -6.992 6.611 6.433 31 HG3 GLU 4 HG1 GLU 4 -5.581 6.814 5.395 32 H GLN 5 H GLN 5 -4.194 7.248 4.117 33 HA GLN 5 HA GLN 5 -3.296 10.085 3.925 34 HB2 GLN 5 HB2 GLN 5 -1.250 8.828 5.213 35 HB3 GLN 5 HB1 GLN 5 -2.611 9.585 6.039 36 HG2 GLN 5 HG2 GLN 5 -3.812 7.377 5.940 37 HG3 GLN 5 HG1 GLN 5 -2.334 6.658 5.299 38 HE21 GLN 5 HE21 GLN 5 -0.708 8.595 7.053 39 HE22 GLN 5 HE22 GLN 5 -0.779 7.906 8.602 40 H CYS 6 H CYS 6 -1.711 6.886 3.546 41 HA CYS 6 HA CYS 6 0.444 7.608 2.002 42 HB2 CYS 6 HB2 CYS 6 -1.300 5.214 1.390 43 HB3 CYS 6 HB1 CYS 6 0.419 5.383 1.043 44 H CYS 7 H CYS 7 -2.903 7.293 0.849 45 HA CYS 7 HA CYS 7 -2.229 7.670 -1.931 46 HB2 CYS 7 HB2 CYS 7 -4.676 7.483 -0.319 47 HB3 CYS 7 HB1 CYS 7 -4.816 8.547 -1.713 48 H THR 8 H THR 8 -3.548 9.907 0.540 49 HA THR 8 HA THR 8 -3.173 12.177 -1.291 50 HB THR 8 HB THR 8 -5.109 11.994 0.328 51 HG1 THR 8 HG1 THR 8 -4.540 13.993 -0.516 52 HG21 THR 8 HG21 THR 8 -4.670 12.564 2.677 53 HG22 THR 8 HG22 THR 8 -2.938 12.632 2.345 54 HG23 THR 8 HG23 THR 8 -3.799 11.098 2.227 55 H SER 9 H SER 9 -1.148 10.444 0.706 56 HA SER 9 HA SER 9 0.759 12.712 0.793 57 HB2 SER 9 HB2 SER 9 1.264 11.515 3.204 58 HB3 SER 9 HB1 SER 9 0.327 12.987 2.997 59 HG SER 9 HG SER 9 -0.479 10.660 3.941 60 H ILE 10 H ILE 10 2.791 11.424 2.190 61 HA ILE 10 HA ILE 10 3.528 9.322 0.232 62 HB ILE 10 HB ILE 10 5.380 10.404 2.336 63 HG12 ILE 10 HG12 ILE 10 4.103 12.318 1.233 64 HG13 ILE 10 HG11 ILE 10 5.852 12.359 1.020 65 HG21 ILE 10 HG21 ILE 10 5.526 8.866 -0.129 66 HG22 ILE 10 HG22 ILE 10 6.758 9.104 1.112 67 HG23 ILE 10 HG23 ILE 10 6.580 10.279 -0.191 68 HD11 ILE 10 HD11 ILE 10 4.647 10.771 -1.070 69 HD12 ILE 10 HD12 ILE 10 5.635 12.225 -1.217 70 HD13 ILE 10 HD13 ILE 10 3.888 12.361 -1.009 71 H CYS 11 H CYS 11 4.787 7.414 1.173 72 HA CYS 11 HA CYS 11 4.215 6.735 3.966 73 HB2 CYS 11 HB2 CYS 11 2.567 5.721 1.726 74 HB3 CYS 11 HB1 CYS 11 3.139 4.494 2.856 75 H SER 12 H SER 12 4.953 4.341 4.333 76 HA SER 12 HA SER 12 7.463 3.948 2.761 77 HB2 SER 12 HB2 SER 12 7.697 2.336 4.949 78 HB3 SER 12 HB1 SER 12 8.304 3.987 4.868 79 HG SER 12 HG SER 12 6.534 4.693 5.934 80 H LEU 13 H LEU 13 7.389 2.260 1.340 81 HA LEU 13 HA LEU 13 5.235 0.503 1.062 82 HB2 LEU 13 HB2 LEU 13 6.630 -0.893 -0.346 83 HB3 LEU 13 HB1 LEU 13 7.007 0.791 -0.661 84 HG LEU 13 HG LEU 13 9.075 -0.448 -0.566 85 HD11 LEU 13 HD11 LEU 13 8.998 1.813 0.517 86 HD12 LEU 13 HD12 LEU 13 10.272 0.762 1.132 87 HD13 LEU 13 HD13 LEU 13 8.802 1.004 2.070 88 HD21 LEU 13 HD21 LEU 13 9.513 -2.143 0.867 89 HD22 LEU 13 HD22 LEU 13 7.783 -2.101 1.207 90 HD23 LEU 13 HD23 LEU 13 8.908 -1.244 2.259 91 H TYR 14 H TYR 14 7.742 0.431 3.428 92 HA TYR 14 HA TYR 14 7.362 -2.388 4.064 93 HB2 TYR 14 HB2 TYR 14 8.722 -1.949 6.064 94 HB3 TYR 14 HB1 TYR 14 9.495 -1.281 4.632 95 HD1 TYR 14 HD1 TYR 14 7.027 -0.239 7.280 96 HD2 TYR 14 HD2 TYR 14 10.332 0.878 4.769 97 HE1 TYR 14 HE1 TYR 14 7.098 1.990 8.363 98 HE2 TYR 14 HE2 TYR 14 10.402 3.110 5.852 99 HH TYR 14 HH TYR 14 7.905 4.297 7.775 100 H GLN 15 H GLN 15 6.008 0.660 5.059 101 HA GLN 15 HA GLN 15 4.493 -0.479 7.267 102 HB2 GLN 15 HB2 GLN 15 3.891 1.694 7.699 103 HB3 GLN 15 HB1 GLN 15 5.287 2.030 6.691 104 HG2 GLN 15 HG2 GLN 15 3.855 2.306 4.731 105 HG3 GLN 15 HG1 GLN 15 2.433 1.861 5.676 106 HE21 GLN 15 HE21 GLN 15 1.314 3.593 6.592 107 HE22 GLN 15 HE22 GLN 15 1.962 5.139 6.857 108 H LEU 16 H LEU 16 4.187 -0.182 3.859 109 HA LEU 16 HA LEU 16 1.297 -0.429 3.714 110 HB2 LEU 16 HB2 LEU 16 3.581 -0.681 1.767 111 HB3 LEU 16 HB1 LEU 16 1.975 -1.236 1.303 112 HG LEU 16 HG LEU 16 2.660 1.220 0.761 113 HD11 LEU 16 HD11 LEU 16 0.128 0.079 1.779 114 HD12 LEU 16 HD12 LEU 16 0.459 0.913 0.262 115 HD13 LEU 16 HD13 LEU 16 0.198 1.841 1.738 116 HD21 LEU 16 HD21 LEU 16 3.496 1.847 2.955 117 HD22 LEU 16 HD22 LEU 16 1.967 1.398 3.709 118 HD23 LEU 16 HD23 LEU 16 2.040 2.784 2.621 119 H GLU 17 H GLU 17 3.983 -2.613 4.077 120 HA GLU 17 HA GLU 17 2.884 -5.032 3.133 121 HB2 GLU 17 HB2 GLU 17 4.408 -6.137 4.605 122 HB3 GLU 17 HB1 GLU 17 5.198 -4.628 4.148 123 HG2 GLU 17 HG2 GLU 17 4.112 -3.643 6.275 124 HG3 GLU 17 HG1 GLU 17 3.843 -5.319 6.751 125 H ASN 18 H ASN 18 2.066 -3.080 5.850 126 HA ASN 18 HA ASN 18 0.734 -4.972 7.504 127 HB2 ASN 18 HB2 ASN 18 1.223 -2.297 7.669 128 HB3 ASN 18 HB1 ASN 18 -0.503 -2.290 7.307 129 HD21 ASN 18 HD21 ASN 18 -1.683 -4.206 8.689 130 HD22 ASN 18 HD22 ASN 18 -1.283 -4.199 10.338 131 H TYR 19 H TYR 19 -0.092 -3.822 4.397 132 HA TYR 19 HA TYR 19 -2.948 -4.565 4.777 133 HB2 TYR 19 HB2 TYR 19 -1.815 -3.417 2.237 134 HB3 TYR 19 HB1 TYR 19 -3.448 -3.276 2.885 135 HD1 TYR 19 HD2 TYR 19 -2.433 -2.714 5.798 136 HD2 TYR 19 HD1 TYR 19 -1.530 -0.994 1.965 137 HE1 TYR 19 HE2 TYR 19 -1.806 -0.585 6.901 138 HE2 TYR 19 HE1 TYR 19 -0.907 1.138 3.072 139 HH TYR 19 HH TYR 19 -1.777 2.055 5.919 140 H CYS 20 H CYS 20 -1.174 -6.703 4.838 141 HA CYS 20 HA CYS 20 -1.680 -7.986 2.196 142 HB2 CYS 20 HB2 CYS 20 0.737 -8.035 3.968 143 HB3 CYS 20 HB1 CYS 20 0.363 -9.459 2.997 144 H ASN 21 H ASN 21 -2.431 -7.971 5.456 145 HA ASN 21 HA ASN 21 -2.905 -10.907 5.561 146 HB2 ASN 21 HB2 ASN 21 -2.797 -8.717 7.621 147 HB3 ASN 21 HB1 ASN 21 -3.629 -10.229 7.984 148 HD21 ASN 21 HD21 ASN 21 -0.511 -9.288 6.399 149 HD22 ASN 21 HD22 ASN 21 0.417 -10.451 7.217 150 H1 PHE 1 HT1 PHE 1 12.133 1.925 -3.474 151 H2 PHE 1 HT2 PHE 1 11.002 0.687 -3.742 152 H3 PHE 1 HT3 PHE 1 11.476 1.080 -2.159 153 HA PHE 1 HA PHE 1 9.590 2.425 -3.928 154 HB2 PHE 1 HB2 PHE 1 9.435 1.097 -1.534 155 HB3 PHE 1 HB1 PHE 1 9.522 2.775 -1.001 156 HD1 PHE 1 HD1 PHE 1 7.918 0.994 -3.901 157 HD2 PHE 1 HD2 PHE 1 7.423 3.690 -0.590 158 HE1 PHE 1 HE1 PHE 1 5.538 1.316 -4.518 159 HE2 PHE 1 HE2 PHE 1 5.044 4.012 -1.208 160 HZ PHE 1 HZ PHE 1 4.099 2.825 -3.172 161 H VAL 2 H VAL 2 8.941 4.660 -2.719 162 HA VAL 2 HA VAL 2 11.310 6.215 -1.966 163 HB VAL 2 HB VAL 2 10.990 5.987 -4.607 164 HG11 VAL 2 HG11 VAL 2 9.615 8.595 -4.320 165 HG12 VAL 2 HG12 VAL 2 8.614 7.163 -4.083 166 HG13 VAL 2 HG13 VAL 2 9.485 7.388 -5.600 167 HG21 VAL 2 HG21 VAL 2 12.672 7.461 -4.544 168 HG22 VAL 2 HG22 VAL 2 12.313 7.702 -2.834 169 HG23 VAL 2 HG23 VAL 2 11.581 8.755 -4.046 170 H ASN 3 H ASN 3 10.203 8.724 -2.548 171 HA ASN 3 HA ASN 3 7.939 8.735 -0.601 172 HB2 ASN 3 HB2 ASN 3 8.544 11.074 -0.168 173 HB3 ASN 3 HB1 ASN 3 9.958 10.039 0.030 174 HD21 ASN 3 HD21 ASN 3 9.751 12.974 -0.799 175 HD22 ASN 3 HD22 ASN 3 10.602 13.060 -2.266 176 H GLN 4 H GLN 4 6.195 8.412 -2.039 177 HA GLN 4 HA GLN 4 5.376 10.782 -3.535 178 HB2 GLN 4 HB2 GLN 4 4.981 9.319 -5.638 179 HB3 GLN 4 HB1 GLN 4 6.619 9.898 -5.337 180 HG2 GLN 4 HG2 GLN 4 7.337 7.766 -5.320 181 HG3 GLN 4 HG1 GLN 4 6.331 7.463 -3.905 182 HE21 GLN 4 HE21 GLN 4 4.864 5.796 -4.227 183 HE22 GLN 4 HE22 GLN 4 4.172 5.375 -5.719 184 H HIS 5 H HIS 5 3.132 10.595 -4.232 185 HA HIS 5 HA HIS 5 1.557 8.951 -2.409 186 HB2 HIS 5 HB2 HIS 5 0.422 10.491 -4.736 187 HB3 HIS 5 HB1 HIS 5 -0.307 10.175 -3.162 188 HD2 HIS 5 HD2 HIS 5 2.448 12.532 -4.719 189 HE1 HIS 5 HE1 HIS 5 1.452 13.939 -0.857 190 HE2 HIS 5 HE2 HIS 5 2.788 14.433 -2.975 191 H LEU 6 H LEU 6 0.226 7.191 -2.984 192 HA LEU 6 HA LEU 6 0.260 6.295 -5.793 193 HB2 LEU 6 HB2 LEU 6 0.935 3.984 -5.122 194 HB3 LEU 6 HB1 LEU 6 2.211 5.172 -4.922 195 HG LEU 6 HG LEU 6 2.148 3.664 -3.007 196 HD11 LEU 6 HD11 LEU 6 0.970 6.054 -1.730 197 HD12 LEU 6 HD12 LEU 6 2.310 6.365 -2.837 198 HD13 LEU 6 HD13 LEU 6 2.532 5.284 -1.463 199 HD21 LEU 6 HD21 LEU 6 -0.540 3.562 -3.365 200 HD22 LEU 6 HD22 LEU 6 -0.435 4.651 -1.979 201 HD23 LEU 6 HD23 LEU 6 0.278 3.042 -1.894 202 H CYS 7 H CYS 7 -1.486 4.899 -6.308 203 HA CYS 7 HA CYS 7 -3.358 4.101 -4.174 204 HB2 CYS 7 HB2 CYS 7 -4.198 6.042 -6.348 205 HB3 CYS 7 HB1 CYS 7 -5.259 5.324 -5.137 206 H GLY 8 H GLY 8 -5.443 3.201 -5.387 207 HA2 GLY 8 HA2 GLY 8 -6.124 1.301 -6.609 208 HA3 GLY 8 HA1 GLY 8 -5.622 2.311 -7.961 209 H SER 9 H SER 9 -4.572 0.950 -9.307 210 HA SER 9 HA SER 9 -3.169 -1.390 -8.629 211 HB2 SER 9 HB2 SER 9 -1.879 -0.360 -10.902 212 HB3 SER 9 HB1 SER 9 -3.233 -1.486 -10.874 213 HG SER 9 HG SER 9 -3.327 1.353 -10.924 214 H ASP 10 H ASP 10 -2.194 1.905 -8.298 215 HA ASP 10 HA ASP 10 0.661 1.320 -8.258 216 HB2 ASP 10 HB2 ASP 10 -1.044 3.700 -7.828 217 HB3 ASP 10 HB1 ASP 10 0.445 3.670 -6.886 218 H LEU 11 H LEU 11 -1.944 1.287 -5.954 219 HA LEU 11 HA LEU 11 -0.299 1.300 -3.583 220 HB2 LEU 11 HB2 LEU 11 -3.106 0.419 -4.207 221 HB3 LEU 11 HB1 LEU 11 -2.375 -0.054 -2.675 222 HG LEU 11 HG LEU 11 -2.215 2.806 -3.557 223 HD11 LEU 11 HD11 LEU 11 -4.596 2.178 -3.782 224 HD12 LEU 11 HD12 LEU 11 -4.352 3.256 -2.408 225 HD13 LEU 11 HD13 LEU 11 -4.576 1.526 -2.144 226 HD21 LEU 11 HD21 LEU 11 -1.958 3.210 -1.225 227 HD22 LEU 11 HD22 LEU 11 -1.012 1.754 -1.538 228 HD23 LEU 11 HD23 LEU 11 -2.607 1.625 -0.802 229 H VAL 12 H VAL 12 -1.330 -1.131 -5.878 230 HA VAL 12 HA VAL 12 -0.199 -3.297 -4.262 231 HB VAL 12 HB VAL 12 -0.520 -4.664 -6.367 232 HG11 VAL 12 HG11 VAL 12 -2.579 -5.172 -5.585 233 HG12 VAL 12 HG12 VAL 12 -3.176 -3.528 -5.819 234 HG13 VAL 12 HG13 VAL 12 -2.247 -3.933 -4.375 235 HG21 VAL 12 HG21 VAL 12 -1.942 -2.149 -7.274 236 HG22 VAL 12 HG22 VAL 12 -1.949 -3.700 -8.112 237 HG23 VAL 12 HG23 VAL 12 -0.449 -2.788 -7.961 238 H GLU 13 H GLU 13 0.716 -1.518 -7.244 239 HA GLU 13 HA GLU 13 3.042 -2.865 -7.926 240 HB2 GLU 13 HB2 GLU 13 2.553 -0.965 -9.250 241 HB3 GLU 13 HB1 GLU 13 2.413 0.085 -7.841 242 HG2 GLU 13 HG2 GLU 13 4.731 0.233 -7.555 243 HG3 GLU 13 HG1 GLU 13 5.034 -1.252 -8.456 244 H ALA 14 H ALA 14 2.396 -0.796 -5.233 245 HA ALA 14 HA ALA 14 5.104 -0.816 -4.161 246 HB1 ALA 14 HB1 ALA 14 4.092 0.373 -2.282 247 HB2 ALA 14 HB2 ALA 14 2.480 -0.070 -2.841 248 HB3 ALA 14 HB3 ALA 14 3.465 1.044 -3.787 249 H LEU 15 H LEU 15 2.001 -2.143 -3.079 250 HA LEU 15 HA LEU 15 3.202 -3.880 -1.095 251 HB2 LEU 15 HB2 LEU 15 0.464 -3.457 -2.235 252 HB3 LEU 15 HB1 LEU 15 0.776 -4.914 -1.289 253 HG LEU 15 HG LEU 15 1.807 -2.405 -0.111 254 HD11 LEU 15 HD11 LEU 15 -0.564 -1.982 -1.198 255 HD12 LEU 15 HD12 LEU 15 -0.235 -1.423 0.442 256 HD13 LEU 15 HD13 LEU 15 -1.137 -2.916 0.184 257 HD21 LEU 15 HD21 LEU 15 1.865 -3.848 1.618 258 HD22 LEU 15 HD22 LEU 15 1.005 -5.060 0.669 259 HD23 LEU 15 HD23 LEU 15 0.101 -3.876 1.616 260 H TYR 16 H TYR 16 3.270 -4.079 -4.365 261 HA TYR 16 HA TYR 16 2.724 -6.948 -4.643 262 HB2 TYR 16 HB2 TYR 16 2.022 -5.958 -6.592 263 HB3 TYR 16 HB1 TYR 16 3.160 -4.628 -6.446 264 HD1 TYR 16 HD1 TYR 16 3.184 -8.332 -7.021 265 HD2 TYR 16 HD2 TYR 16 4.908 -4.507 -7.934 266 HE1 TYR 16 HE1 TYR 16 4.706 -9.410 -8.662 267 HE2 TYR 16 HE2 TYR 16 6.431 -5.580 -9.576 268 HH TYR 16 HH TYR 16 6.381 -9.115 -10.085 269 H LEU 17 H LEU 17 5.516 -4.740 -4.883 270 HA LEU 17 HA LEU 17 7.284 -7.099 -5.141 271 HB2 LEU 17 HB2 LEU 17 8.987 -4.955 -4.990 272 HB3 LEU 17 HB1 LEU 17 8.360 -5.651 -6.474 273 HG LEU 17 HG LEU 17 6.401 -4.063 -6.286 274 HD11 LEU 17 HD11 LEU 17 6.170 -2.829 -4.423 275 HD12 LEU 17 HD12 LEU 17 7.745 -2.090 -4.705 276 HD13 LEU 17 HD13 LEU 17 7.624 -3.574 -3.760 277 HD21 LEU 17 HD21 LEU 17 7.752 -3.175 -7.871 278 HD22 LEU 17 HD22 LEU 17 9.206 -3.444 -6.912 279 HD23 LEU 17 HD23 LEU 17 8.208 -2.020 -6.619 280 H VAL 18 H VAL 18 5.959 -5.256 -2.678 281 HA VAL 18 HA VAL 18 8.250 -5.651 -0.850 282 HB VAL 18 HB VAL 18 7.038 -4.382 0.755 283 HG11 VAL 18 HG11 VAL 18 7.677 -2.713 -0.686 284 HG12 VAL 18 HG12 VAL 18 5.931 -2.547 -0.871 285 HG13 VAL 18 HG13 VAL 18 6.862 -3.453 -2.063 286 HG21 VAL 18 HG21 VAL 18 4.912 -5.504 0.699 287 HG22 VAL 18 HG22 VAL 18 4.626 -4.985 -0.961 288 HG23 VAL 18 HG23 VAL 18 4.609 -3.803 0.347 289 H CYS 19 H CYS 19 4.934 -6.748 -1.305 290 HA CYS 19 HA CYS 19 5.252 -8.789 0.809 291 HB2 CYS 19 HB2 CYS 19 3.000 -7.572 -0.665 292 HB3 CYS 19 HB1 CYS 19 2.822 -9.297 -0.348 293 H GLY 20 H GLY 20 3.663 -9.190 -2.344 294 HA2 GLY 20 HA2 GLY 20 4.388 -10.595 -4.153 295 HA3 GLY 20 HA1 GLY 20 5.667 -11.227 -3.115 296 H GLU 21 H GLU 21 2.493 -11.756 -4.284 297 HA GLU 21 HA GLU 21 0.890 -13.413 -3.809 298 HB2 GLU 21 HB2 GLU 21 3.096 -14.638 -4.528 299 HB3 GLU 21 HB1 GLU 21 3.163 -15.117 -2.834 300 HG2 GLU 21 HG2 GLU 21 1.204 -16.370 -2.968 301 HG3 GLU 21 HG1 GLU 21 0.594 -15.455 -4.346 302 H ARG 22 H ARG 22 1.847 -11.601 -1.553 303 HA ARG 22 HA ARG 22 1.459 -13.359 0.800 304 HB2 ARG 22 HB2 ARG 22 3.181 -11.462 0.705 305 HB3 ARG 22 HB1 ARG 22 1.812 -10.355 0.809 306 HG2 ARG 22 HG2 ARG 22 2.241 -10.590 3.059 307 HG3 ARG 22 HG1 ARG 22 1.162 -11.969 2.845 308 HD2 ARG 22 HD2 ARG 22 3.210 -13.381 2.385 309 HD3 ARG 22 HD1 ARG 22 4.190 -11.999 2.876 310 HE ARG 22 HE ARG 22 2.768 -12.188 5.078 311 HH11 ARG 22 HH21 ARG 22 5.177 -14.110 4.246 312 HH12 ARG 22 HH22 ARG 22 4.595 -15.578 4.958 313 HH21 ARG 22 HH11 ARG 22 1.387 -14.368 5.474 314 HH22 ARG 22 HH12 ARG 22 2.450 -15.724 5.650 315 H GLY 23 H GLY 23 -0.593 -12.175 -1.363 316 HA2 GLY 23 HA2 GLY 23 -2.951 -11.981 -1.197 317 HA3 GLY 23 HA1 GLY 23 -2.801 -12.053 0.560 318 H ALA 24 H ALA 24 -4.283 -10.123 -1.224 319 HA ALA 24 HA ALA 24 -3.714 -7.736 0.276 320 HB1 ALA 24 HB1 ALA 24 -1.991 -6.947 -0.964 321 HB2 ALA 24 HB2 ALA 24 -3.199 -6.630 -2.210 322 HB3 ALA 24 HB3 ALA 24 -2.268 -8.128 -2.244 323 H PHE 25 H PHE 25 -6.052 -8.136 0.455 324 HA PHE 25 HA PHE 25 -7.553 -7.308 -1.982 325 HB2 PHE 25 HB2 PHE 25 -9.513 -8.301 -0.456 326 HB3 PHE 25 HB1 PHE 25 -8.534 -9.339 -1.492 327 HD1 PHE 25 HD1 PHE 25 -8.790 -7.991 1.984 328 HD2 PHE 25 HD2 PHE 25 -7.182 -11.049 -0.573 329 HE1 PHE 25 HE1 PHE 25 -8.004 -9.244 3.976 330 HE2 PHE 25 HE2 PHE 25 -6.396 -12.301 1.420 331 HZ PHE 25 HZ PHE 25 -6.807 -11.399 3.694 332 H TYR 26 H TYR 26 -6.794 -5.087 -1.157 333 HA TYR 26 HA TYR 26 -8.475 -4.117 1.103 334 HB2 TYR 26 HB2 TYR 26 -7.026 -2.131 1.062 335 HB3 TYR 26 HB1 TYR 26 -6.052 -3.596 1.174 336 HD1 TYR 26 HD1 TYR 26 -7.400 -1.100 -1.258 337 HD2 TYR 26 HD2 TYR 26 -4.429 -4.104 -0.469 338 HE1 TYR 26 HE1 TYR 26 -6.211 -0.472 -3.343 339 HE2 TYR 26 HE2 TYR 26 -3.241 -3.478 -2.555 340 HH TYR 26 HH TYR 26 -4.644 -1.449 -4.930 341 H THR 27 H THR 27 -8.868 -4.521 -2.093 342 HA THR 27 HA THR 27 -9.998 -1.837 -2.651 343 HB THR 27 HB THR 27 -8.773 -2.709 -4.499 344 HG1 THR 27 HG1 THR 27 -11.143 -2.052 -4.766 345 HG21 THR 27 HG21 THR 27 -8.416 -4.962 -4.192 346 HG22 THR 27 HG22 THR 27 -9.712 -5.054 -5.385 347 HG23 THR 27 HG23 THR 27 -10.075 -5.261 -3.671 348 H LYS 28 H LYS 28 -11.991 -1.598 -1.718 349 HA LYS 28 HA LYS 28 -13.802 -3.755 -1.192 350 HB2 LYS 28 HB2 LYS 28 -13.672 -1.099 -0.474 351 HB3 LYS 28 HB1 LYS 28 -15.050 -1.122 -1.574 352 HG2 LYS 28 HG2 LYS 28 -14.944 -3.349 0.377 353 HG3 LYS 28 HG1 LYS 28 -15.239 -1.750 1.061 354 HD2 LYS 28 HD2 LYS 28 -17.305 -1.589 0.122 355 HD3 LYS 28 HD1 LYS 28 -16.781 -2.339 -1.387 356 HE2 LYS 28 HE2 LYS 28 -17.590 -4.338 -0.742 357 HE3 LYS 28 HE1 LYS 28 -16.690 -4.264 0.773 358 HZ1 LYS 28 HZ1 LYS 28 -18.941 -4.325 1.372 359 HZ2 LYS 28 HZ2 LYS 28 -19.385 -3.184 0.194 360 HZ3 LYS 28 HZ3 LYS 28 -18.489 -2.701 1.554 361 HA PRO 29 HA PRO 29 -16.035 -2.361 -5.175 362 HB2 PRO 29 HB2 PRO 29 -14.767 -0.505 -6.757 363 HB3 PRO 29 HB1 PRO 29 -15.899 -0.078 -5.463 364 HG2 PRO 29 HG2 PRO 29 -12.929 0.157 -5.511 365 HG3 PRO 29 HG1 PRO 29 -14.112 1.078 -4.567 366 HD2 PRO 29 HD2 PRO 29 -12.503 -1.053 -3.615 367 HD3 PRO 29 HD1 PRO 29 -13.884 -0.324 -2.768 368 H THR 30 H THR 30 -15.619 -4.338 -6.167 369 HA THR 30 HA THR 30 -13.370 -4.406 -8.105 370 HB THR 30 HB THR 30 -12.732 -6.677 -7.374 371 HG1 THR 30 HG1 THR 30 -13.716 -7.616 -5.687 372 HG21 THR 30 HG21 THR 30 -11.342 -5.925 -5.709 373 HG22 THR 30 HG22 THR 30 -12.651 -5.134 -4.831 374 HG23 THR 30 HG23 THR 30 -11.953 -4.362 -6.255 Start of MODEL 20 1 H1 GLY 1 HT1 GLY 1 -10.041 4.931 5.463 2 H2 GLY 1 HT2 GLY 1 -10.623 3.339 5.568 3 H3 GLY 1 HT3 GLY 1 -11.320 4.427 4.467 4 HA2 GLY 1 HA1 GLY 1 -9.604 2.785 3.557 5 HA3 GLY 1 HA2 GLY 1 -9.488 4.481 2.993 6 H ILE 2 H ILE 2 -7.738 2.454 2.448 7 HA ILE 2 HA ILE 2 -5.991 1.874 4.796 8 HB ILE 2 HB ILE 2 -6.767 -0.072 3.454 9 HG12 ILE 2 HG12 ILE 2 -4.441 -0.970 2.948 10 HG13 ILE 2 HG11 ILE 2 -3.821 0.631 3.355 11 HG21 ILE 2 HG21 ILE 2 -5.001 0.713 1.192 12 HG22 ILE 2 HG22 ILE 2 -6.552 1.544 1.304 13 HG23 ILE 2 HG23 ILE 2 -6.501 -0.215 1.179 14 HD11 ILE 2 HD11 ILE 2 -4.404 -1.471 5.145 15 HD12 ILE 2 HD12 ILE 2 -5.664 -0.260 5.394 16 HD13 ILE 2 HD13 ILE 2 -3.965 0.188 5.556 17 H VAL 3 H VAL 3 -6.097 3.458 1.670 18 HA VAL 3 HA VAL 3 -3.210 4.152 1.916 19 HB VAL 3 HB VAL 3 -3.349 4.834 -0.415 20 HG11 VAL 3 HG11 VAL 3 -4.824 2.464 -0.962 21 HG12 VAL 3 HG12 VAL 3 -3.957 2.203 0.552 22 HG13 VAL 3 HG13 VAL 3 -3.072 2.657 -0.905 23 HG21 VAL 3 HG21 VAL 3 -5.586 5.828 -0.381 24 HG22 VAL 3 HG22 VAL 3 -6.311 4.244 -0.109 25 HG23 VAL 3 HG23 VAL 3 -5.512 4.597 -1.640 26 H GLU 4 H GLU 4 -5.836 5.316 3.228 27 HA GLU 4 HA GLU 4 -6.441 7.881 2.466 28 HB2 GLU 4 HB2 GLU 4 -6.691 8.456 4.856 29 HB3 GLU 4 HB1 GLU 4 -7.328 6.845 4.520 30 HG2 GLU 4 HG2 GLU 4 -5.110 5.898 5.244 31 HG3 GLU 4 HG1 GLU 4 -4.642 7.521 5.750 32 H GLN 5 H GLN 5 -3.345 6.778 3.696 33 HA GLN 5 HA GLN 5 -2.366 9.594 3.641 34 HB2 GLN 5 HB2 GLN 5 -0.259 8.248 4.654 35 HB3 GLN 5 HB1 GLN 5 -1.573 8.852 5.663 36 HG2 GLN 5 HG2 GLN 5 -2.711 6.654 5.467 37 HG3 GLN 5 HG1 GLN 5 -1.355 6.054 4.512 38 HE21 GLN 5 HE21 GLN 5 0.742 7.402 6.044 39 HE22 GLN 5 HE22 GLN 5 0.818 6.642 7.561 40 H CYS 6 H CYS 6 -1.240 6.321 2.673 41 HA CYS 6 HA CYS 6 0.894 7.135 1.040 42 HB2 CYS 6 HB2 CYS 6 -1.005 4.859 0.406 43 HB3 CYS 6 HB1 CYS 6 0.680 5.006 -0.092 44 H CYS 7 H CYS 7 -2.564 7.196 0.395 45 HA CYS 7 HA CYS 7 -2.201 7.848 -2.435 46 HB2 CYS 7 HB2 CYS 7 -4.446 7.290 -0.635 47 HB3 CYS 7 HB1 CYS 7 -4.781 8.556 -1.810 48 H THR 8 H THR 8 -3.733 9.650 0.260 49 HA THR 8 HA THR 8 -3.653 12.169 -1.087 50 HB THR 8 HB THR 8 -5.049 11.535 0.960 51 HG1 THR 8 HG1 THR 8 -4.513 13.736 0.085 52 HG21 THR 8 HG21 THR 8 -2.601 12.413 2.491 53 HG22 THR 8 HG22 THR 8 -2.946 10.710 2.188 54 HG23 THR 8 HG23 THR 8 -4.080 11.689 3.120 55 H SER 9 H SER 9 -1.378 10.617 1.156 56 HA SER 9 HA SER 9 0.646 12.636 0.314 57 HB2 SER 9 HB2 SER 9 1.387 12.088 2.896 58 HB3 SER 9 HB1 SER 9 0.495 13.516 2.394 59 HG SER 9 HG SER 9 -0.553 12.378 4.087 60 H ILE 10 H ILE 10 2.774 11.613 1.818 61 HA ILE 10 HA ILE 10 3.196 9.036 0.414 62 HB ILE 10 HB ILE 10 5.346 10.430 1.968 63 HG12 ILE 10 HG12 ILE 10 4.107 12.211 0.705 64 HG13 ILE 10 HG11 ILE 10 5.753 11.974 0.122 65 HG21 ILE 10 HG21 ILE 10 5.965 8.381 0.886 66 HG22 ILE 10 HG22 ILE 10 6.623 9.682 -0.107 67 HG23 ILE 10 HG23 ILE 10 5.152 8.849 -0.607 68 HD11 ILE 10 HD11 ILE 10 4.793 10.385 -1.608 69 HD12 ILE 10 HD12 ILE 10 4.352 12.079 -1.823 70 HD13 ILE 10 HD13 ILE 10 3.194 10.947 -1.122 71 H CYS 11 H CYS 11 4.248 7.261 1.618 72 HA CYS 11 HA CYS 11 4.040 7.370 4.564 73 HB2 CYS 11 HB2 CYS 11 2.571 5.416 4.686 74 HB3 CYS 11 HB1 CYS 11 1.775 6.688 3.756 75 H SER 12 H SER 12 4.501 4.815 5.248 76 HA SER 12 HA SER 12 7.103 4.249 3.936 77 HB2 SER 12 HB2 SER 12 6.945 2.472 5.986 78 HB3 SER 12 HB1 SER 12 7.576 4.106 6.164 79 HG SER 12 HG SER 12 5.601 4.772 6.913 80 H LEU 13 H LEU 13 7.142 2.698 2.374 81 HA LEU 13 HA LEU 13 4.900 1.091 1.718 82 HB2 LEU 13 HB2 LEU 13 6.307 -0.025 0.137 83 HB3 LEU 13 HB1 LEU 13 6.838 1.653 0.193 84 HG LEU 13 HG LEU 13 8.124 -0.513 1.868 85 HD11 LEU 13 HD11 LEU 13 9.840 0.251 -0.237 86 HD12 LEU 13 HD12 LEU 13 8.277 -0.075 -0.987 87 HD13 LEU 13 HD13 LEU 13 9.065 -1.318 -0.014 88 HD21 LEU 13 HD21 LEU 13 8.696 2.358 1.177 89 HD22 LEU 13 HD22 LEU 13 10.035 1.276 1.558 90 HD23 LEU 13 HD23 LEU 13 8.765 1.561 2.748 91 H TYR 14 H TYR 14 7.705 0.401 3.743 92 HA TYR 14 HA TYR 14 7.127 -2.381 4.104 93 HB2 TYR 14 HB2 TYR 14 8.430 -2.119 6.267 94 HB3 TYR 14 HB1 TYR 14 9.287 -1.609 4.815 95 HD1 TYR 14 HD1 TYR 14 7.442 -0.429 7.805 96 HD2 TYR 14 HD2 TYR 14 9.869 0.696 4.442 97 HE1 TYR 14 HE1 TYR 14 7.760 1.827 8.788 98 HE2 TYR 14 HE2 TYR 14 10.185 2.952 5.423 99 HH TYR 14 HH TYR 14 9.085 3.712 8.670 100 H GLN 15 H GLN 15 5.707 0.510 5.309 101 HA GLN 15 HA GLN 15 4.338 -0.704 7.557 102 HB2 GLN 15 HB2 GLN 15 3.611 1.429 7.979 103 HB3 GLN 15 HB1 GLN 15 4.894 1.855 6.861 104 HG2 GLN 15 HG2 GLN 15 3.148 3.007 5.885 105 HG3 GLN 15 HG1 GLN 15 2.963 1.458 5.064 106 HE21 GLN 15 HE21 GLN 15 1.479 3.655 7.340 107 HE22 GLN 15 HE22 GLN 15 0.089 2.727 7.633 108 H LEU 16 H LEU 16 3.773 -0.262 4.155 109 HA LEU 16 HA LEU 16 0.969 -0.813 4.091 110 HB2 LEU 16 HB2 LEU 16 3.222 -0.950 2.112 111 HB3 LEU 16 HB1 LEU 16 1.670 -1.676 1.695 112 HG LEU 16 HG LEU 16 0.562 0.483 2.262 113 HD11 LEU 16 HD11 LEU 16 1.826 1.779 3.637 114 HD12 LEU 16 HD12 LEU 16 2.499 2.382 2.124 115 HD13 LEU 16 HD13 LEU 16 3.341 1.122 3.021 116 HD21 LEU 16 HD21 LEU 16 0.959 1.392 0.157 117 HD22 LEU 16 HD22 LEU 16 1.621 -0.229 -0.063 118 HD23 LEU 16 HD23 LEU 16 2.699 1.129 0.264 119 H GLU 17 H GLU 17 3.821 -2.838 4.321 120 HA GLU 17 HA GLU 17 2.851 -5.336 3.537 121 HB2 GLU 17 HB2 GLU 17 5.065 -5.406 4.282 122 HB3 GLU 17 HB1 GLU 17 4.720 -4.437 5.713 123 HG2 GLU 17 HG2 GLU 17 4.053 -6.247 6.946 124 HG3 GLU 17 HG1 GLU 17 3.353 -7.070 5.552 125 H ASN 18 H ASN 18 1.928 -3.347 6.226 126 HA ASN 18 HA ASN 18 0.612 -5.329 7.820 127 HB2 ASN 18 HB2 ASN 18 1.195 -2.726 8.200 128 HB3 ASN 18 HB1 ASN 18 -0.501 -2.573 7.738 129 HD21 ASN 18 HD21 ASN 18 -1.887 -2.683 9.503 130 HD22 ASN 18 HD22 ASN 18 -1.596 -3.564 10.923 131 H TYR 19 H TYR 19 -0.464 -3.315 5.142 132 HA TYR 19 HA TYR 19 -3.243 -4.006 5.302 133 HB2 TYR 19 HB2 TYR 19 -1.792 -3.335 2.742 134 HB3 TYR 19 HB1 TYR 19 -3.468 -2.993 3.167 135 HD1 TYR 19 HD2 TYR 19 -2.423 -2.264 6.156 136 HD2 TYR 19 HD1 TYR 19 -1.576 -0.880 2.176 137 HE1 TYR 19 HE2 TYR 19 -1.739 -0.062 7.068 138 HE2 TYR 19 HE1 TYR 19 -0.894 1.324 3.089 139 HH TYR 19 HH TYR 19 -0.573 2.536 4.916 140 H CYS 20 H CYS 20 -0.534 -5.858 4.457 141 HA CYS 20 HA CYS 20 -2.036 -7.637 2.644 142 HB2 CYS 20 HB2 CYS 20 0.814 -7.322 3.462 143 HB3 CYS 20 HB1 CYS 20 0.286 -8.936 2.981 144 H ASN 21 H ASN 21 -1.540 -7.267 5.968 145 HA ASN 21 HA ASN 21 -1.939 -10.173 6.492 146 HB2 ASN 21 HB2 ASN 21 -0.787 -7.901 8.023 147 HB3 ASN 21 HB1 ASN 21 -1.691 -9.091 8.959 148 HD21 ASN 21 HD21 ASN 21 -0.766 -11.198 9.220 149 HD22 ASN 21 HD22 ASN 21 0.771 -11.609 8.628 150 H1 PHE 1 HT1 PHE 1 9.966 1.428 -6.323 151 H2 PHE 1 HT2 PHE 1 9.359 0.047 -5.542 152 H3 PHE 1 HT3 PHE 1 10.717 0.854 -4.915 153 HA PHE 1 HA PHE 1 7.968 1.964 -5.077 154 HB2 PHE 1 HB2 PHE 1 8.423 0.135 -3.363 155 HB3 PHE 1 HB1 PHE 1 9.581 1.241 -2.623 156 HD1 PHE 1 HD2 PHE 1 8.654 3.709 -2.228 157 HD2 PHE 1 HD1 PHE 1 6.212 0.196 -2.622 158 HE1 PHE 1 HE2 PHE 1 6.804 4.862 -1.043 159 HE2 PHE 1 HE1 PHE 1 4.363 1.347 -1.435 160 HZ PHE 1 HZ PHE 1 4.658 3.682 -0.646 161 H VAL 2 H VAL 2 7.920 4.165 -4.912 162 HA VAL 2 HA VAL 2 10.457 5.530 -4.102 163 HB VAL 2 HB VAL 2 9.371 7.442 -5.563 164 HG11 VAL 2 HG11 VAL 2 10.586 6.560 -7.526 165 HG12 VAL 2 HG12 VAL 2 10.640 4.966 -6.774 166 HG13 VAL 2 HG13 VAL 2 11.512 6.314 -6.046 167 HG21 VAL 2 HG21 VAL 2 8.314 5.069 -7.075 168 HG22 VAL 2 HG22 VAL 2 7.861 6.768 -7.215 169 HG23 VAL 2 HG23 VAL 2 7.316 5.821 -5.831 170 H ASN 3 H ASN 3 9.796 7.983 -3.532 171 HA ASN 3 HA ASN 3 7.625 7.737 -1.501 172 HB2 ASN 3 HB2 ASN 3 10.157 9.338 -1.667 173 HB3 ASN 3 HB1 ASN 3 8.816 9.959 -0.704 174 HD21 ASN 3 HD21 ASN 3 11.442 8.871 0.271 175 HD22 ASN 3 HD22 ASN 3 11.044 7.583 1.300 176 H GLN 4 H GLN 4 5.903 8.208 -3.002 177 HA GLN 4 HA GLN 4 5.535 11.088 -3.436 178 HB2 GLN 4 HB2 GLN 4 4.945 10.687 -5.873 179 HB3 GLN 4 HB1 GLN 4 6.663 10.569 -5.496 180 HG2 GLN 4 HG2 GLN 4 6.428 8.101 -5.303 181 HG3 GLN 4 HG1 GLN 4 4.732 8.247 -5.766 182 HE21 GLN 4 HE21 GLN 4 4.731 7.360 -7.869 183 HE22 GLN 4 HE22 GLN 4 5.716 7.919 -9.134 184 H HIS 5 H HIS 5 3.295 11.099 -4.939 185 HA HIS 5 HA HIS 5 1.368 9.692 -3.204 186 HB2 HIS 5 HB2 HIS 5 0.789 11.574 -5.502 187 HB3 HIS 5 HB1 HIS 5 -0.300 11.122 -4.191 188 HD2 HIS 5 HD2 HIS 5 3.028 13.227 -4.637 189 HE1 HIS 5 HE1 HIS 5 1.130 14.357 -1.032 190 HE2 HIS 5 HE2 HIS 5 3.072 14.856 -2.609 191 H LEU 6 H LEU 6 0.191 7.930 -3.863 192 HA LEU 6 HA LEU 6 -0.014 7.308 -6.731 193 HB2 LEU 6 HB2 LEU 6 0.855 5.019 -6.455 194 HB3 LEU 6 HB1 LEU 6 2.090 6.214 -6.105 195 HG LEU 6 HG LEU 6 2.219 4.460 -4.442 196 HD11 LEU 6 HD11 LEU 6 0.788 6.519 -2.839 197 HD12 LEU 6 HD12 LEU 6 2.174 7.053 -3.793 198 HD13 LEU 6 HD13 LEU 6 2.371 5.787 -2.583 199 HD21 LEU 6 HD21 LEU 6 0.442 3.417 -3.515 200 HD22 LEU 6 HD22 LEU 6 -0.490 4.184 -4.800 201 HD23 LEU 6 HD23 LEU 6 -0.401 4.934 -3.206 202 H CYS 7 H CYS 7 -1.719 5.792 -7.189 203 HA CYS 7 HA CYS 7 -3.317 4.759 -4.940 204 HB2 CYS 7 HB2 CYS 7 -4.406 6.840 -6.856 205 HB3 CYS 7 HB1 CYS 7 -5.393 5.893 -5.745 206 H GLY 8 H GLY 8 -5.299 3.567 -5.859 207 HA2 GLY 8 HA2 GLY 8 -6.191 1.960 -7.310 208 HA3 GLY 8 HA1 GLY 8 -5.453 2.870 -8.626 209 H SER 9 H SER 9 -4.512 1.246 -9.803 210 HA SER 9 HA SER 9 -3.328 -1.115 -8.837 211 HB2 SER 9 HB2 SER 9 -2.505 0.486 -11.276 212 HB3 SER 9 HB1 SER 9 -2.126 -1.209 -10.984 213 HG SER 9 HG SER 9 -4.632 0.013 -11.450 214 H ASP 10 H ASP 10 -2.196 2.125 -8.634 215 HA ASP 10 HA ASP 10 0.617 1.456 -8.386 216 HB2 ASP 10 HB2 ASP 10 -0.705 3.917 -7.242 217 HB3 ASP 10 HB1 ASP 10 0.951 3.744 -7.824 218 H LEU 11 H LEU 11 -2.103 1.760 -6.194 219 HA LEU 11 HA LEU 11 -0.598 1.705 -3.758 220 HB2 LEU 11 HB2 LEU 11 -3.341 0.501 -4.214 221 HB3 LEU 11 HB1 LEU 11 -2.659 1.022 -2.674 222 HG LEU 11 HG LEU 11 -2.974 2.937 -4.984 223 HD11 LEU 11 HD11 LEU 11 -4.973 2.256 -2.812 224 HD12 LEU 11 HD12 LEU 11 -5.204 2.084 -4.551 225 HD13 LEU 11 HD13 LEU 11 -5.073 3.689 -3.833 226 HD21 LEU 11 HD21 LEU 11 -1.756 3.080 -2.464 227 HD22 LEU 11 HD22 LEU 11 -3.290 3.929 -2.268 228 HD23 LEU 11 HD23 LEU 11 -2.155 4.437 -3.514 229 H VAL 12 H VAL 12 -1.656 -0.776 -5.999 230 HA VAL 12 HA VAL 12 -0.697 -2.905 -4.221 231 HB VAL 12 HB VAL 12 -0.990 -4.368 -6.281 232 HG11 VAL 12 HG11 VAL 12 -2.938 -4.822 -5.288 233 HG12 VAL 12 HG12 VAL 12 -3.663 -3.375 -5.989 234 HG13 VAL 12 HG13 VAL 12 -2.835 -3.283 -4.433 235 HG21 VAL 12 HG21 VAL 12 -2.320 -1.852 -7.320 236 HG22 VAL 12 HG22 VAL 12 -2.383 -3.440 -8.083 237 HG23 VAL 12 HG23 VAL 12 -0.848 -2.585 -7.959 238 H GLU 13 H GLU 13 0.389 -1.332 -7.258 239 HA GLU 13 HA GLU 13 2.672 -2.798 -7.811 240 HB2 GLU 13 HB2 GLU 13 2.300 -0.924 -9.212 241 HB3 GLU 13 HB1 GLU 13 2.183 0.181 -7.844 242 HG2 GLU 13 HG2 GLU 13 4.403 0.560 -7.864 243 HG3 GLU 13 HG1 GLU 13 4.755 -1.168 -7.872 244 H ALA 14 H ALA 14 2.005 -0.671 -5.182 245 HA ALA 14 HA ALA 14 4.685 -0.720 -4.039 246 HB1 ALA 14 HB1 ALA 14 3.687 1.188 -3.270 247 HB2 ALA 14 HB2 ALA 14 3.024 0.119 -2.035 248 HB3 ALA 14 HB3 ALA 14 2.066 0.520 -3.460 249 H LEU 15 H LEU 15 1.524 -1.973 -3.036 250 HA LEU 15 HA LEU 15 2.655 -3.700 -0.993 251 HB2 LEU 15 HB2 LEU 15 -0.054 -3.180 -2.142 252 HB3 LEU 15 HB1 LEU 15 0.190 -4.667 -1.226 253 HG LEU 15 HG LEU 15 1.244 -2.145 -0.038 254 HD11 LEU 15 HD11 LEU 15 -1.605 -2.761 0.543 255 HD12 LEU 15 HD12 LEU 15 -1.276 -2.001 -1.014 256 HD13 LEU 15 HD13 LEU 15 -0.782 -1.203 0.480 257 HD21 LEU 15 HD21 LEU 15 -0.349 -3.839 1.667 258 HD22 LEU 15 HD22 LEU 15 1.383 -3.520 1.746 259 HD23 LEU 15 HD23 LEU 15 0.774 -4.833 0.739 260 H TYR 16 H TYR 16 2.749 -3.946 -4.257 261 HA TYR 16 HA TYR 16 2.121 -6.809 -4.486 262 HB2 TYR 16 HB2 TYR 16 1.460 -5.884 -6.472 263 HB3 TYR 16 HB1 TYR 16 2.569 -4.530 -6.323 264 HD1 TYR 16 HD1 TYR 16 2.679 -8.243 -6.857 265 HD2 TYR 16 HD2 TYR 16 4.333 -4.391 -7.798 266 HE1 TYR 16 HE1 TYR 16 4.234 -9.306 -8.478 267 HE2 TYR 16 HE2 TYR 16 5.887 -5.450 -9.418 268 HH TYR 16 HH TYR 16 5.501 -8.560 -10.568 269 H LEU 17 H LEU 17 4.948 -4.665 -4.715 270 HA LEU 17 HA LEU 17 6.692 -7.037 -4.979 271 HB2 LEU 17 HB2 LEU 17 8.415 -4.911 -4.776 272 HB3 LEU 17 HB1 LEU 17 7.800 -5.576 -6.281 273 HG LEU 17 HG LEU 17 5.850 -3.973 -6.082 274 HD11 LEU 17 HD11 LEU 17 6.212 -2.018 -4.593 275 HD12 LEU 17 HD12 LEU 17 7.635 -2.814 -3.921 276 HD13 LEU 17 HD13 LEU 17 6.036 -3.517 -3.681 277 HD21 LEU 17 HD21 LEU 17 7.199 -3.043 -7.636 278 HD22 LEU 17 HD22 LEU 17 8.655 -3.395 -6.704 279 HD23 LEU 17 HD23 LEU 17 7.708 -1.950 -6.349 280 H VAL 18 H VAL 18 5.436 -5.051 -2.525 281 HA VAL 18 HA VAL 18 7.657 -5.567 -0.659 282 HB VAL 18 HB VAL 18 6.418 -4.321 0.951 283 HG11 VAL 18 HG11 VAL 18 5.389 -2.429 -0.663 284 HG12 VAL 18 HG12 VAL 18 6.346 -3.321 -1.846 285 HG13 VAL 18 HG13 VAL 18 7.125 -2.627 -0.424 286 HG21 VAL 18 HG21 VAL 18 4.276 -5.388 0.829 287 HG22 VAL 18 HG22 VAL 18 4.048 -4.867 -0.839 288 HG23 VAL 18 HG23 VAL 18 4.008 -3.683 0.466 289 H CYS 19 H CYS 19 4.355 -6.623 -1.235 290 HA CYS 19 HA CYS 19 4.480 -8.645 0.894 291 HB2 CYS 19 HB2 CYS 19 2.395 -8.118 -1.249 292 HB3 CYS 19 HB1 CYS 19 2.213 -9.257 0.083 293 H GLY 20 H GLY 20 4.257 -8.621 -2.673 294 HA2 GLY 20 HA2 GLY 20 5.135 -10.156 -4.223 295 HA3 GLY 20 HA1 GLY 20 6.001 -10.925 -2.892 296 H GLU 21 H GLU 21 2.795 -10.694 -4.409 297 HA GLU 21 HA GLU 21 0.988 -12.203 -4.373 298 HB2 GLU 21 HB2 GLU 21 2.989 -13.374 -5.607 299 HB3 GLU 21 HB1 GLU 21 3.026 -14.400 -4.174 300 HG2 GLU 21 HG2 GLU 21 1.531 -15.573 -5.522 301 HG3 GLU 21 HG1 GLU 21 0.426 -14.563 -4.588 302 H ARG 22 H ARG 22 2.241 -11.373 -1.723 303 HA ARG 22 HA ARG 22 1.813 -13.736 -0.024 304 HB2 ARG 22 HB2 ARG 22 3.525 -11.840 0.389 305 HB3 ARG 22 HB1 ARG 22 2.142 -10.898 0.949 306 HG2 ARG 22 HG2 ARG 22 1.658 -12.468 2.689 307 HG3 ARG 22 HG1 ARG 22 2.778 -13.655 2.020 308 HD2 ARG 22 HD2 ARG 22 4.681 -12.320 2.599 309 HD3 ARG 22 HD1 ARG 22 3.668 -10.926 2.977 310 HE ARG 22 HE ARG 22 4.357 -12.949 4.836 311 HH11 ARG 22 HH21 ARG 22 2.987 -10.353 5.522 312 HH12 ARG 22 HH22 ARG 22 1.466 -10.909 6.138 313 HH21 ARG 22 HH11 ARG 22 1.789 -14.094 4.806 314 HH22 ARG 22 HH12 ARG 22 0.788 -13.026 5.733 315 H GLY 23 H GLY 23 -0.299 -11.957 -1.653 316 HA2 GLY 23 HA2 GLY 23 -2.696 -12.483 -0.939 317 HA3 GLY 23 HA1 GLY 23 -2.245 -11.773 0.612 318 H ALA 24 H ALA 24 -2.154 -9.520 0.799 319 HA ALA 24 HA ALA 24 -2.560 -7.282 0.212 320 HB1 ALA 24 HB1 ALA 24 -0.830 -7.883 -1.581 321 HB2 ALA 24 HB2 ALA 24 -1.915 -6.546 -1.964 322 HB3 ALA 24 HB3 ALA 24 -2.197 -8.140 -2.665 323 H PHE 25 H PHE 25 -4.772 -7.331 0.801 324 HA PHE 25 HA PHE 25 -6.630 -7.177 -1.470 325 HB2 PHE 25 HB2 PHE 25 -8.201 -8.819 -0.533 326 HB3 PHE 25 HB1 PHE 25 -6.650 -9.586 -0.878 327 HD1 PHE 25 HD2 PHE 25 -4.910 -9.588 1.099 328 HD2 PHE 25 HD1 PHE 25 -9.147 -9.065 1.593 329 HE1 PHE 25 HE2 PHE 25 -4.717 -10.274 3.475 330 HE2 PHE 25 HE1 PHE 25 -8.954 -9.751 3.971 331 HZ PHE 25 HZ PHE 25 -6.739 -10.355 4.911 332 H TYR 26 H TYR 26 -6.874 -4.987 -0.800 333 HA TYR 26 HA TYR 26 -7.961 -4.543 1.933 334 HB2 TYR 26 HB2 TYR 26 -7.656 -2.115 1.343 335 HB3 TYR 26 HB1 TYR 26 -6.158 -3.046 1.318 336 HD1 TYR 26 HD1 TYR 26 -8.873 -1.687 -0.846 337 HD2 TYR 26 HD2 TYR 26 -4.882 -3.274 -0.673 338 HE1 TYR 26 HE1 TYR 26 -8.520 -1.061 -3.222 339 HE2 TYR 26 HE2 TYR 26 -4.530 -2.647 -3.048 340 HH TYR 26 HH TYR 26 -6.234 -0.509 -4.657 341 H THR 27 H THR 27 -9.137 -5.264 -1.069 342 HA THR 27 HA THR 27 -11.358 -3.365 -1.154 343 HB THR 27 HB THR 27 -10.452 -4.369 -3.226 344 HG1 THR 27 HG1 THR 27 -12.985 -5.500 -3.005 345 HG21 THR 27 HG21 THR 27 -10.369 -6.641 -3.618 346 HG22 THR 27 HG22 THR 27 -11.744 -6.979 -2.567 347 HG23 THR 27 HG23 THR 27 -10.160 -6.645 -1.867 348 H LYS 28 H LYS 28 -13.446 -3.722 -0.413 349 HA LYS 28 HA LYS 28 -14.432 -6.327 0.353 350 HB2 LYS 28 HB2 LYS 28 -14.615 -5.762 2.824 351 HB3 LYS 28 HB1 LYS 28 -12.983 -6.124 2.261 352 HG2 LYS 28 HG2 LYS 28 -12.266 -3.961 2.517 353 HG3 LYS 28 HG1 LYS 28 -13.839 -3.280 2.102 354 HD2 LYS 28 HD2 LYS 28 -14.710 -4.030 4.313 355 HD3 LYS 28 HD1 LYS 28 -13.094 -4.601 4.727 356 HE2 LYS 28 HE2 LYS 28 -13.049 -1.860 3.735 357 HE3 LYS 28 HE1 LYS 28 -14.087 -2.027 5.151 358 HZ1 LYS 28 HZ1 LYS 28 -11.290 -3.006 4.966 359 HZ2 LYS 28 HZ2 LYS 28 -12.291 -3.077 6.336 360 HZ3 LYS 28 HZ3 LYS 28 -11.768 -1.574 5.740 361 HA PRO 29 HA PRO 29 -17.533 -2.980 -0.315 362 HB2 PRO 29 HB2 PRO 29 -18.824 -4.273 -2.369 363 HB3 PRO 29 HB1 PRO 29 -17.454 -3.176 -2.610 364 HG2 PRO 29 HG2 PRO 29 -17.523 -6.153 -2.760 365 HG3 PRO 29 HG1 PRO 29 -16.433 -5.013 -3.568 366 HD2 PRO 29 HD2 PRO 29 -15.813 -6.557 -1.278 367 HD3 PRO 29 HD1 PRO 29 -14.875 -5.179 -1.895 368 H THR 30 H THR 30 -18.076 -4.088 1.878 369 HA THR 30 HA THR 30 -20.414 -5.921 1.519 370 HB THR 30 HB THR 30 -19.881 -6.983 3.552 371 HG1 THR 30 HG1 THR 30 -18.034 -4.912 4.106 372 HG21 THR 30 HG21 THR 30 -17.146 -6.195 2.531 373 HG22 THR 30 HG22 THR 30 -18.191 -7.336 1.684 374 HG23 THR 30 HG23 THR 30 -17.614 -7.708 3.308
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