NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
581269 | 2mdw | 19505 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 LYS 1 H1 LYS 1 4.829 5.719 -17.736 2 H2 LYS 1 H2 LYS 1 6.483 5.531 -17.320 3 H3 LYS 1 H3 LYS 1 5.506 6.658 -16.473 4 HA LYS 1 HA LYS 1 4.284 5.021 -15.442 5 HB2 LYS 1 HB2 LYS 1 4.564 2.630 -16.018 6 HB3 LYS 1 HB3 LYS 1 3.956 3.581 -17.364 7 HG2 LYS 1 HG2 LYS 1 6.719 3.617 -17.675 8 HG3 LYS 1 HG3 LYS 1 6.341 1.970 -17.170 9 HD2 LYS 1 HD2 LYS 1 5.315 1.488 -19.112 10 HD3 LYS 1 HD3 LYS 1 4.515 3.056 -19.189 11 HE2 LYS 1 HE2 LYS 1 7.400 2.539 -19.868 12 HE3 LYS 1 HE3 LYS 1 6.092 2.682 -21.038 13 HZ1 LYS 1 HZ1 LYS 1 7.357 4.763 -19.406 14 HZ2 LYS 1 HZ2 LYS 1 5.729 4.952 -19.823 15 HZ3 LYS 1 HZ3 LYS 1 6.900 4.803 -21.034 16 H LEU 2 H LEU 2 5.085 3.254 -13.878 17 HA LEU 2 HA LEU 2 7.111 4.166 -12.280 18 HB2 LEU 2 HB2 LEU 2 5.939 1.477 -12.708 19 HB3 LEU 2 HB3 LEU 2 7.228 1.750 -11.572 20 HG LEU 2 HG LEU 2 4.535 3.061 -11.461 21 HD11 LEU 2 HD11 LEU 2 3.948 1.122 -10.595 22 HD12 LEU 2 HD12 LEU 2 5.024 1.488 -9.228 23 HD13 LEU 2 HD13 LEU 2 5.613 0.546 -10.604 24 HD21 LEU 2 HD21 LEU 2 7.029 3.727 -10.239 25 HD22 LEU 2 HD22 LEU 2 5.920 3.114 -9.015 26 HD23 LEU 2 HD23 LEU 2 5.450 4.490 -10.030 27 HA PRO 3 HA PRO 3 11.057 2.872 -13.856 28 HB2 PRO 3 HB2 PRO 3 11.850 2.653 -11.100 29 HB3 PRO 3 HB3 PRO 3 12.406 3.775 -12.334 30 HG2 PRO 3 HG2 PRO 3 10.883 4.627 -10.314 31 HG3 PRO 3 HG3 PRO 3 10.688 5.275 -11.936 32 HD2 PRO 3 HD2 PRO 3 9.037 3.188 -10.553 33 HD3 PRO 3 HD3 PRO 3 8.546 4.622 -11.451 34 HA PRO 4 HA PRO 4 11.427 -1.457 -13.720 35 HB2 PRO 4 HB2 PRO 4 14.131 -0.801 -12.857 36 HB3 PRO 4 HB3 PRO 4 13.580 -1.982 -14.007 37 HG2 PRO 4 HG2 PRO 4 14.423 0.162 -15.026 38 HG3 PRO 4 HG3 PRO 4 12.792 -0.307 -15.467 39 HD2 PRO 4 HD2 PRO 4 13.603 1.602 -13.420 40 HD3 PRO 4 HD3 PRO 4 12.478 1.799 -14.735 41 H GLY 5 H GLY 5 11.203 -3.088 -12.482 42 HA2 GLY 5 HA2 GLY 5 10.941 -4.336 -10.596 43 HA3 GLY 5 HA3 GLY 5 12.145 -3.297 -9.882 44 H TRP 6 H TRP 6 9.839 -1.093 -10.713 45 HA TRP 6 HA TRP 6 8.791 -1.108 -8.028 46 HB2 TRP 6 HB2 TRP 6 8.869 0.819 -10.235 47 HB3 TRP 6 HB3 TRP 6 7.616 1.040 -9.063 48 HD1 TRP 6 HD1 TRP 6 10.607 2.369 -9.911 49 HE1 TRP 6 HE1 TRP 6 11.987 3.310 -8.016 50 HE3 TRP 6 HE3 TRP 6 8.135 0.239 -6.164 51 HZ2 TRP 6 HZ2 TRP 6 11.934 3.173 -5.191 52 HZ3 TRP 6 HZ3 TRP 6 8.821 0.687 -3.894 53 HH2 TRP 6 HH2 TRP 6 10.614 2.102 -3.404 54 H GLU 7 H GLU 7 6.695 -1.197 -7.456 55 HA GLU 7 HA GLU 7 4.612 -1.352 -9.440 56 HB2 GLU 7 HB2 GLU 7 5.105 -3.663 -7.525 57 HB3 GLU 7 HB3 GLU 7 3.662 -3.469 -8.507 58 HG2 GLU 7 HG2 GLU 7 6.362 -3.596 -9.789 59 HG3 GLU 7 HG3 GLU 7 5.530 -5.064 -9.290 60 H LYS 8 H LYS 8 2.990 -0.156 -8.708 61 HA LYS 8 HA LYS 8 3.077 0.860 -6.042 62 HB2 LYS 8 HB2 LYS 8 2.152 2.092 -8.174 63 HB3 LYS 8 HB3 LYS 8 0.703 1.100 -7.956 64 HG2 LYS 8 HG2 LYS 8 0.597 2.023 -5.580 65 HG3 LYS 8 HG3 LYS 8 1.780 3.214 -6.115 66 HD2 LYS 8 HD2 LYS 8 0.302 4.173 -7.646 67 HD3 LYS 8 HD3 LYS 8 -0.750 2.756 -7.656 68 HE2 LYS 8 HE2 LYS 8 -1.398 3.249 -5.333 69 HE3 LYS 8 HE3 LYS 8 -0.382 4.690 -5.369 70 HZ1 LYS 8 HZ1 LYS 8 -2.840 4.164 -6.938 71 HZ2 LYS 8 HZ2 LYS 8 -1.779 5.429 -7.304 72 HZ3 LYS 8 HZ3 LYS 8 -2.570 5.396 -5.809 73 H ARG 9 H ARG 9 2.505 -0.351 -4.394 74 HA ARG 9 HA ARG 9 0.200 -2.178 -4.621 75 HB2 ARG 9 HB2 ARG 9 2.541 -2.311 -2.707 76 HB3 ARG 9 HB3 ARG 9 1.203 -3.449 -2.767 77 HG2 ARG 9 HG2 ARG 9 2.196 -3.412 -5.362 78 HG3 ARG 9 HG3 ARG 9 3.628 -3.363 -4.332 79 HD2 ARG 9 HD2 ARG 9 1.434 -5.422 -4.323 80 HD3 ARG 9 HD3 ARG 9 3.124 -5.661 -4.710 81 HE ARG 9 HE ARG 9 1.911 -5.523 -2.144 82 HH11 ARG 9 HH11 ARG 9 4.939 -5.217 -3.899 83 HH12 ARG 9 HH12 ARG 9 5.869 -5.873 -2.595 84 HH21 ARG 9 HH21 ARG 9 3.051 -6.399 -0.606 85 HH22 ARG 9 HH22 ARG 9 4.776 -6.551 -0.655 86 H CYS 10 H CYS 10 -1.162 -2.398 -2.667 87 HA CYS 10 HA CYS 10 -0.916 -0.328 -0.661 88 HB2 CYS 10 HB2 CYS 10 -2.004 0.945 -2.435 89 HB3 CYS 10 HB3 CYS 10 -3.248 -0.286 -2.593 90 H PHE 11 H PHE 11 -1.452 -1.126 1.194 91 HA PHE 11 HA PHE 11 -3.545 -3.184 1.299 92 HB2 PHE 11 HB2 PHE 11 -2.457 -4.238 3.176 93 HB3 PHE 11 HB3 PHE 11 -1.245 -4.030 1.907 94 HD1 PHE 11 HD2 PHE 11 -2.486 -2.723 5.125 95 HD2 PHE 11 HD1 PHE 11 0.685 -2.703 2.287 96 HE1 PHE 11 HE2 PHE 11 -1.047 -1.555 6.746 97 HE2 PHE 11 HE1 PHE 11 2.129 -1.533 3.901 98 HZ PHE 11 HZ PHE 11 1.263 -0.958 6.133 99 H TYR 12 H TYR 12 -5.174 -2.880 2.774 100 HA TYR 12 HA TYR 12 -5.299 -0.282 4.070 101 HB2 TYR 12 HB2 TYR 12 -7.277 -2.404 3.378 102 HB3 TYR 12 HB3 TYR 12 -7.641 -1.390 4.774 103 HD1 TYR 12 HD2 TYR 12 -7.060 -1.372 1.128 104 HD2 TYR 12 HD1 TYR 12 -8.149 0.966 4.492 105 HE1 TYR 12 HE2 TYR 12 -7.807 0.373 -0.351 106 HE2 TYR 12 HE1 TYR 12 -8.947 2.702 3.073 107 HH TYR 12 HH TYR 12 -8.852 2.342 -0.508 108 H PHE 13 H PHE 13 -5.336 -0.025 6.324 109 HA PHE 13 HA PHE 13 -4.881 -2.512 7.894 110 HB2 PHE 13 HB2 PHE 13 -2.860 -0.928 7.608 111 HB3 PHE 13 HB3 PHE 13 -3.739 0.161 8.686 112 HD1 PHE 13 HD2 PHE 13 -2.280 -3.177 8.381 113 HD2 PHE 13 HD1 PHE 13 -3.836 -0.272 11.057 114 HE1 PHE 13 HE2 PHE 13 -1.383 -4.439 10.259 115 HE2 PHE 13 HE1 PHE 13 -2.922 -1.482 12.954 116 HZ PHE 13 HZ PHE 13 -1.687 -3.598 12.573 117 H ASN 14 H ASN 14 -6.449 -2.874 9.230 118 HA ASN 14 HA ASN 14 -8.093 -0.658 10.028 119 HB2 ASN 14 HB2 ASN 14 -9.438 -2.562 11.175 120 HB3 ASN 14 HB3 ASN 14 -9.560 -2.344 9.460 121 HD21 ASN 14 HD21 ASN 14 -10.450 -4.553 9.733 122 HD22 ASN 14 HD22 ASN 14 -9.331 -5.858 9.640 123 H ARG 15 H ARG 15 -6.523 0.253 11.468 124 HA ARG 15 HA ARG 15 -5.131 -1.113 13.374 125 HB2 ARG 15 HB2 ARG 15 -4.337 0.952 13.360 126 HB3 ARG 15 HB3 ARG 15 -5.902 1.695 13.035 127 HG2 ARG 15 HG2 ARG 15 -6.502 1.622 15.334 128 HG3 ARG 15 HG3 ARG 15 -5.086 0.647 15.731 129 HD2 ARG 15 HD2 ARG 15 -5.000 3.463 14.636 130 HD3 ARG 15 HD3 ARG 15 -4.821 3.042 16.338 131 HE ARG 15 HE ARG 15 -2.696 2.204 15.898 132 HH11 ARG 15 HH11 ARG 15 -4.232 3.273 12.931 133 HH12 ARG 15 HH12 ARG 15 -2.766 3.220 12.014 134 HH21 ARG 15 HH21 ARG 15 -0.773 2.141 14.676 135 HH22 ARG 15 HH22 ARG 15 -0.805 2.580 13.001 136 H ILE 16 H ILE 16 -8.570 -0.880 13.299 137 HA ILE 16 HA ILE 16 -9.132 -1.011 16.018 138 HB ILE 16 HB ILE 16 -10.525 -1.956 13.578 139 HG12 ILE 16 HG12 ILE 16 -11.111 0.180 13.511 140 HG13 ILE 16 HG13 ILE 16 -12.020 -0.109 14.949 141 HG21 ILE 16 HG21 ILE 16 -11.230 -2.098 16.465 142 HG22 ILE 16 HG22 ILE 16 -10.989 -3.448 15.345 143 HG23 ILE 16 HG23 ILE 16 -12.394 -2.370 15.160 144 HD11 ILE 16 HD11 ILE 16 -10.549 1.002 16.279 145 HD12 ILE 16 HD12 ILE 16 -10.381 1.904 14.764 146 HD13 ILE 16 HD13 ILE 16 -9.186 0.676 15.208 147 H THR 17 H THR 17 -8.827 -3.290 13.423 148 HA THR 17 HA THR 17 -8.418 -5.468 15.220 149 HB THR 17 HB THR 17 -9.403 -6.864 13.775 150 HG1 THR 17 HG1 THR 17 -7.853 -6.645 12.141 151 HG21 THR 17 HG21 THR 17 -11.291 -5.880 12.818 152 HG22 THR 17 HG22 THR 17 -10.464 -4.323 12.586 153 HG23 THR 17 HG23 THR 17 -10.853 -4.892 14.213 154 H GLY 18 H GLY 18 -6.698 -3.253 14.254 155 HA2 GLY 18 HA2 GLY 18 -4.728 -2.882 13.124 156 HA3 GLY 18 HA3 GLY 18 -4.171 -3.896 14.416 157 H LYS 19 H LYS 19 -6.213 -4.806 11.678 158 HA LYS 19 HA LYS 19 -4.047 -6.596 10.827 159 HB2 LYS 19 HB2 LYS 19 -5.513 -8.245 10.389 160 HB3 LYS 19 HB3 LYS 19 -6.374 -7.415 11.701 161 HG2 LYS 19 HG2 LYS 19 -7.941 -6.596 10.329 162 HG3 LYS 19 HG3 LYS 19 -6.853 -6.529 8.939 163 HD2 LYS 19 HD2 LYS 19 -7.766 -9.154 10.074 164 HD3 LYS 19 HD3 LYS 19 -8.759 -8.273 8.911 165 HE2 LYS 19 HE2 LYS 19 -7.499 -8.969 7.214 166 HE3 LYS 19 HE3 LYS 19 -6.033 -8.396 8.005 167 HZ1 LYS 19 HZ1 LYS 19 -7.067 -10.829 9.142 168 HZ2 LYS 19 HZ2 LYS 19 -5.497 -10.451 8.641 169 HZ3 LYS 19 HZ3 LYS 19 -6.637 -10.987 7.513 170 H ARG 20 H ARG 20 -4.122 -7.201 8.467 171 HA ARG 20 HA ARG 20 -4.633 -4.759 6.947 172 HB2 ARG 20 HB2 ARG 20 -2.563 -4.945 5.812 173 HB3 ARG 20 HB3 ARG 20 -2.251 -5.241 7.544 174 HG2 ARG 20 HG2 ARG 20 -2.783 -7.744 6.335 175 HG3 ARG 20 HG3 ARG 20 -1.626 -6.887 5.314 176 HD2 ARG 20 HD2 ARG 20 -1.358 -7.332 8.284 177 HD3 ARG 20 HD3 ARG 20 -0.515 -8.244 7.034 178 HE ARG 20 HE ARG 20 0.414 -5.943 6.398 179 HH11 ARG 20 HH11 ARG 20 -0.326 -6.906 9.691 180 HH12 ARG 20 HH12 ARG 20 0.844 -5.840 10.388 181 HH21 ARG 20 HH21 ARG 20 1.947 -4.548 7.332 182 HH22 ARG 20 HH22 ARG 20 2.134 -4.504 9.053 183 H GLN 21 H GLN 21 -5.147 -4.757 4.880 184 HA GLN 21 HA GLN 21 -5.911 -7.272 3.549 185 HB2 GLN 21 HB2 GLN 21 -7.369 -4.705 3.294 186 HB3 GLN 21 HB3 GLN 21 -7.945 -6.305 2.842 187 HG2 GLN 21 HG2 GLN 21 -7.530 -6.306 5.602 188 HG3 GLN 21 HG3 GLN 21 -8.225 -4.792 5.179 189 HE21 GLN 21 HE21 GLN 21 -10.088 -4.975 3.589 190 HE22 GLN 21 HE22 GLN 21 -11.238 -6.183 3.981 191 H PHE 22 H PHE 22 -6.264 -6.729 1.104 192 HA PHE 22 HA PHE 22 -4.357 -4.630 0.243 193 HB2 PHE 22 HB2 PHE 22 -5.149 -7.269 -0.993 194 HB3 PHE 22 HB3 PHE 22 -4.358 -6.009 -1.935 195 HD1 PHE 22 HD2 PHE 22 -2.131 -5.100 -0.958 196 HD2 PHE 22 HD1 PHE 22 -3.865 -8.801 0.161 197 HE1 PHE 22 HE2 PHE 22 0.051 -5.871 -0.166 198 HE2 PHE 22 HE1 PHE 22 -1.689 -9.587 0.960 199 HZ PHE 22 HZ PHE 22 0.255 -8.114 0.788 200 H GLU 23 H GLU 23 -7.137 -4.451 1.023 201 HA GLU 23 HA GLU 23 -8.452 -3.263 -1.300 202 HB2 GLU 23 HB2 GLU 23 -9.888 -4.978 -1.313 203 HB3 GLU 23 HB3 GLU 23 -9.104 -5.682 0.108 204 HG2 GLU 23 HG2 GLU 23 -10.473 -4.217 1.560 205 HG3 GLU 23 HG3 GLU 23 -11.290 -3.617 0.117 206 H ARG 24 H ARG 24 -10.181 -1.935 -0.820 207 HA ARG 24 HA ARG 24 -10.118 -0.663 1.822 208 HB2 ARG 24 HB2 ARG 24 -10.025 0.866 -0.061 209 HB3 ARG 24 HB3 ARG 24 -11.438 0.119 -0.783 210 HG2 ARG 24 HG2 ARG 24 -12.835 0.936 0.918 211 HG3 ARG 24 HG3 ARG 24 -11.462 1.521 1.870 212 HD2 ARG 24 HD2 ARG 24 -10.914 2.871 -0.292 213 HD3 ARG 24 HD3 ARG 24 -12.605 2.606 -0.676 214 HE ARG 24 HE ARG 24 -13.225 4.030 1.034 215 HH11 ARG 24 HH11 ARG 24 -9.748 3.674 1.030 216 HH12 ARG 24 HH12 ARG 24 -9.477 5.086 1.988 217 HH21 ARG 24 HH21 ARG 24 -12.830 5.940 2.264 218 HH22 ARG 24 HH22 ARG 24 -11.209 6.355 2.685 219 HA PRO 25 HA PRO 25 -12.865 -4.043 2.755 220 HB2 PRO 25 HB2 PRO 25 -13.292 -2.428 5.076 221 HB3 PRO 25 HB3 PRO 25 -12.805 -4.090 4.935 222 HG2 PRO 25 HG2 PRO 25 -11.046 -2.146 5.550 223 HG3 PRO 25 HG3 PRO 25 -10.597 -3.554 4.696 224 HD2 PRO 25 HD2 PRO 25 -10.813 -0.842 3.686 225 HD3 PRO 25 HD3 PRO 25 -9.925 -2.242 3.087 226 H SER 26 H SER 26 -14.814 -4.510 2.682 227 HA SER 26 HA SER 26 -16.686 -3.155 1.342 228 HB2 SER 26 HB2 SER 26 -16.831 -5.496 1.692 229 HB3 SER 26 HB3 SER 26 -17.072 -5.220 3.422 230 HG SER 26 HG SER 26 -19.055 -5.635 2.349 231 H ASP 27 H ASP 27 -16.189 -3.283 4.642 232 HA ASP 27 HA ASP 27 -16.753 -1.888 6.329 233 HB2 ASP 27 HB2 ASP 27 -16.540 0.112 5.543 234 HB3 ASP 27 HB3 ASP 27 -16.985 -0.448 3.933 235 H1 LYS 1 H1 LYS 1 -17.709 4.074 2.294 236 H2 LYS 1 H2 LYS 1 -17.418 2.950 1.031 237 H3 LYS 1 H3 LYS 1 -17.184 4.627 0.758 238 HA LYS 1 HA LYS 1 -15.140 3.318 1.075 239 HB2 LYS 1 HB2 LYS 1 -14.156 4.990 2.573 240 HB3 LYS 1 HB3 LYS 1 -15.196 5.732 1.365 241 HG2 LYS 1 HG2 LYS 1 -16.419 5.064 3.977 242 HG3 LYS 1 HG3 LYS 1 -15.252 6.386 3.952 243 HD2 LYS 1 HD2 LYS 1 -17.669 6.182 2.154 244 HD3 LYS 1 HD3 LYS 1 -17.586 7.146 3.626 245 HE2 LYS 1 HE2 LYS 1 -16.802 8.813 2.425 246 HE3 LYS 1 HE3 LYS 1 -15.342 7.869 2.140 247 HZ1 LYS 1 HZ1 LYS 1 -17.780 7.780 0.443 248 HZ2 LYS 1 HZ2 LYS 1 -16.327 6.967 0.149 249 HZ3 LYS 1 HZ3 LYS 1 -16.380 8.655 0.077 250 H LEU 2 H LEU 2 -13.604 2.585 2.787 251 HA LEU 2 HA LEU 2 -14.847 0.693 4.383 252 HB2 LEU 2 HB2 LEU 2 -12.850 -0.211 4.870 253 HB3 LEU 2 HB3 LEU 2 -12.531 0.597 3.353 254 HG LEU 2 HG LEU 2 -11.624 1.309 6.083 255 HD11 LEU 2 HD11 LEU 2 -10.044 0.023 4.960 256 HD12 LEU 2 HD12 LEU 2 -9.535 1.700 4.620 257 HD13 LEU 2 HD13 LEU 2 -10.450 0.778 3.420 258 HD21 LEU 2 HD21 LEU 2 -11.251 3.067 3.772 259 HD22 LEU 2 HD22 LEU 2 -11.091 3.413 5.502 260 HD23 LEU 2 HD23 LEU 2 -12.705 3.168 4.816 261 HA PRO 3 HA PRO 3 -15.761 1.953 8.438 262 HB2 PRO 3 HB2 PRO 3 -14.177 -0.280 9.358 263 HB3 PRO 3 HB3 PRO 3 -15.911 -0.002 9.482 264 HG2 PRO 3 HG2 PRO 3 -14.918 -1.800 7.811 265 HG3 PRO 3 HG3 PRO 3 -16.324 -0.833 7.391 266 HD2 PRO 3 HD2 PRO 3 -13.495 -0.504 6.508 267 HD3 PRO 3 HD3 PRO 3 -14.970 -0.406 5.600 268 HA PRO 4 HA PRO 4 -12.879 3.975 11.043 269 HB2 PRO 4 HB2 PRO 4 -14.057 2.222 13.044 270 HB3 PRO 4 HB3 PRO 4 -13.794 3.938 13.085 271 HG2 PRO 4 HG2 PRO 4 -16.162 3.256 12.611 272 HG3 PRO 4 HG3 PRO 4 -15.414 4.303 11.418 273 HD2 PRO 4 HD2 PRO 4 -15.614 1.393 11.327 274 HD3 PRO 4 HD3 PRO 4 -16.194 2.567 10.182 275 H GLY 5 H GLY 5 -11.071 3.761 12.219 276 HA2 GLY 5 HA2 GLY 5 -9.170 2.735 13.025 277 HA3 GLY 5 HA3 GLY 5 -10.012 1.219 12.818 278 H TRP 6 H TRP 6 -10.609 1.716 9.973 279 HA TRP 6 HA TRP 6 -8.326 0.550 8.847 280 HB2 TRP 6 HB2 TRP 6 -10.919 1.524 7.863 281 HB3 TRP 6 HB3 TRP 6 -9.686 1.313 6.692 282 HD1 TRP 6 HD1 TRP 6 -12.508 -0.227 7.749 283 HE1 TRP 6 HE1 TRP 6 -12.514 -2.773 7.585 284 HE3 TRP 6 HE3 TRP 6 -7.623 -0.922 7.081 285 HZ2 TRP 6 HZ2 TRP 6 -10.610 -4.808 7.172 286 HZ3 TRP 6 HZ3 TRP 6 -6.754 -3.161 6.804 287 HH2 TRP 6 HH2 TRP 6 -8.169 -5.029 6.822 288 H GLU 7 H GLU 7 -6.984 1.372 7.244 289 HA GLU 7 HA GLU 7 -7.149 4.084 6.424 290 HB2 GLU 7 HB2 GLU 7 -4.840 4.695 7.208 291 HB3 GLU 7 HB3 GLU 7 -6.096 4.693 8.433 292 HG2 GLU 7 HG2 GLU 7 -5.278 2.721 9.422 293 HG3 GLU 7 HG3 GLU 7 -4.267 2.345 8.027 294 H LYS 8 H LYS 8 -6.953 3.709 4.419 295 HA LYS 8 HA LYS 8 -5.692 1.640 3.103 296 HB2 LYS 8 HB2 LYS 8 -7.232 3.483 2.058 297 HB3 LYS 8 HB3 LYS 8 -5.817 4.541 2.061 298 HG2 LYS 8 HG2 LYS 8 -4.626 2.926 0.595 299 HG3 LYS 8 HG3 LYS 8 -6.106 1.974 0.506 300 HD2 LYS 8 HD2 LYS 8 -7.161 4.274 -0.214 301 HD3 LYS 8 HD3 LYS 8 -5.494 4.652 -0.651 302 HE2 LYS 8 HE2 LYS 8 -5.563 2.362 -1.869 303 HE3 LYS 8 HE3 LYS 8 -7.312 2.545 -1.757 304 HZ1 LYS 8 HZ1 LYS 8 -5.404 4.368 -3.114 305 HZ2 LYS 8 HZ2 LYS 8 -7.035 4.739 -2.862 306 HZ3 LYS 8 HZ3 LYS 8 -6.609 3.422 -3.834 307 H ARG 9 H ARG 9 -3.577 1.251 2.413 308 HA ARG 9 HA ARG 9 -1.535 3.304 2.932 309 HB2 ARG 9 HB2 ARG 9 -1.842 1.375 4.734 310 HB3 ARG 9 HB3 ARG 9 -0.870 0.468 3.584 311 HG2 ARG 9 HG2 ARG 9 0.856 1.309 4.727 312 HG3 ARG 9 HG3 ARG 9 0.563 2.760 3.767 313 HD2 ARG 9 HD2 ARG 9 0.775 3.225 6.196 314 HD3 ARG 9 HD3 ARG 9 -0.782 3.701 5.550 315 HE ARG 9 HE ARG 9 -1.764 2.160 6.842 316 HH11 ARG 9 HH11 ARG 9 1.684 1.486 6.809 317 HH12 ARG 9 HH12 ARG 9 1.615 0.569 8.275 318 HH21 ARG 9 HH21 ARG 9 -1.807 1.121 8.674 319 HH22 ARG 9 HH22 ARG 9 -0.428 0.331 9.365 320 H CYS 10 H CYS 10 -1.240 3.696 0.743 321 HA CYS 10 HA CYS 10 -0.519 1.422 -0.957 322 HB2 CYS 10 HB2 CYS 10 -0.780 4.224 -1.976 323 HB3 CYS 10 HB3 CYS 10 -1.023 2.704 -2.825 324 H PHE 11 H PHE 11 1.528 0.858 -0.660 325 HA PHE 11 HA PHE 11 3.574 2.961 -0.816 326 HB2 PHE 11 HB2 PHE 11 5.100 1.475 0.347 327 HB3 PHE 11 HB3 PHE 11 3.598 1.568 1.263 328 HD1 PHE 11 HD2 PHE 11 5.461 -0.536 -1.186 329 HD2 PHE 11 HD1 PHE 11 2.447 -0.392 1.840 330 HE1 PHE 11 HE2 PHE 11 5.330 -2.999 -1.198 331 HE2 PHE 11 HE1 PHE 11 2.320 -2.857 1.827 332 HZ PHE 11 HZ PHE 11 3.758 -4.161 0.307 333 H TYR 12 H TYR 12 5.223 2.793 -2.341 334 HA TYR 12 HA TYR 12 4.717 1.016 -4.577 335 HB2 TYR 12 HB2 TYR 12 6.495 3.377 -4.102 336 HB3 TYR 12 HB3 TYR 12 7.010 2.210 -5.325 337 HD1 TYR 12 HD1 TYR 12 5.599 1.817 -7.355 338 HD2 TYR 12 HD2 TYR 12 4.508 4.757 -4.452 339 HE1 TYR 12 HE1 TYR 12 4.020 2.741 -8.868 340 HE2 TYR 12 HE2 TYR 12 2.914 5.714 -5.982 341 HH TYR 12 HH TYR 12 1.970 4.114 -8.885 342 H PHE 13 H PHE 13 5.926 -0.838 -5.018 343 HA PHE 13 HA PHE 13 8.138 -1.379 -3.109 344 HB2 PHE 13 HB2 PHE 13 6.066 -2.941 -3.075 345 HB3 PHE 13 HB3 PHE 13 6.702 -3.567 -4.601 346 HD1 PHE 13 HD2 PHE 13 7.539 -2.981 -1.064 347 HD2 PHE 13 HD1 PHE 13 8.535 -5.129 -4.606 348 HE1 PHE 13 HE2 PHE 13 9.052 -4.401 0.231 349 HE2 PHE 13 HE1 PHE 13 10.029 -6.584 -3.340 350 HZ PHE 13 HZ PHE 13 10.307 -6.225 -0.894 351 H ASN 14 H ASN 14 10.035 -1.426 -3.912 352 HA ASN 14 HA ASN 14 10.275 -1.597 -6.791 353 HB2 ASN 14 HB2 ASN 14 11.351 0.269 -5.293 354 HB3 ASN 14 HB3 ASN 14 12.582 -0.905 -5.005 355 HD21 ASN 14 HD21 ASN 14 13.525 1.223 -6.119 356 HD22 ASN 14 HD22 ASN 14 13.793 1.039 -7.817 357 H ARG 15 H ARG 15 9.854 -3.939 -6.577 358 HA ARG 15 HA ARG 15 11.182 -5.723 -5.065 359 HB2 ARG 15 HB2 ARG 15 9.711 -6.937 -6.155 360 HB3 ARG 15 HB3 ARG 15 9.750 -5.907 -7.585 361 HG2 ARG 15 HG2 ARG 15 11.698 -7.053 -8.417 362 HG3 ARG 15 HG3 ARG 15 11.791 -8.027 -6.948 363 HD2 ARG 15 HD2 ARG 15 10.763 -9.400 -8.590 364 HD3 ARG 15 HD3 ARG 15 9.474 -8.873 -7.508 365 HE ARG 15 HE ARG 15 8.527 -7.709 -9.241 366 HH11 ARG 15 HH11 ARG 15 11.774 -8.646 -10.167 367 HH12 ARG 15 HH12 ARG 15 11.572 -8.162 -11.816 368 HH21 ARG 15 HH21 ARG 15 8.271 -7.075 -11.414 369 HH22 ARG 15 HH22 ARG 15 9.586 -7.270 -12.525 370 H ILE 16 H ILE 16 12.813 -3.807 -7.500 371 HA ILE 16 HA ILE 16 14.947 -5.519 -8.008 372 HB ILE 16 HB ILE 16 14.563 -2.582 -8.030 373 HG12 ILE 16 HG12 ILE 16 13.864 -2.994 -10.082 374 HG13 ILE 16 HG13 ILE 16 15.408 -3.668 -10.467 375 HG21 ILE 16 HG21 ILE 16 16.973 -4.250 -8.530 376 HG22 ILE 16 HG22 ILE 16 16.761 -3.006 -7.287 377 HG23 ILE 16 HG23 ILE 16 16.847 -2.550 -9.008 378 HD11 ILE 16 HD11 ILE 16 13.487 -5.469 -9.175 379 HD12 ILE 16 HD12 ILE 16 14.636 -5.778 -10.473 380 HD13 ILE 16 HD13 ILE 16 13.113 -4.949 -10.822 381 H THR 17 H THR 17 14.316 -2.884 -5.887 382 HA THR 17 HA THR 17 16.507 -3.450 -4.165 383 HB THR 17 HB THR 17 16.258 -1.282 -3.344 384 HG1 THR 17 HG1 THR 17 13.955 -1.343 -3.120 385 HG21 THR 17 HG21 THR 17 17.074 -1.635 -5.658 386 HG22 THR 17 HG22 THR 17 16.489 -0.005 -5.298 387 HG23 THR 17 HG23 THR 17 15.479 -1.137 -6.235 388 H GLY 18 H GLY 18 13.680 -4.651 -4.599 389 HA2 GLY 18 HA2 GLY 18 11.825 -5.212 -3.379 390 HA3 GLY 18 HA3 GLY 18 13.018 -6.073 -2.462 391 H LYS 19 H LYS 19 12.762 -2.609 -2.764 392 HA LYS 19 HA LYS 19 12.178 -2.424 0.081 393 HB2 LYS 19 HB2 LYS 19 13.595 -0.717 0.270 394 HB3 LYS 19 HB3 LYS 19 14.325 -1.464 -1.172 395 HG2 LYS 19 HG2 LYS 19 13.624 0.186 -2.525 396 HG3 LYS 19 HG3 LYS 19 12.162 0.484 -1.575 397 HD2 LYS 19 HD2 LYS 19 13.796 2.364 -1.491 398 HD3 LYS 19 HD3 LYS 19 13.421 1.679 0.092 399 HE2 LYS 19 HE2 LYS 19 15.489 0.265 -0.154 400 HE3 LYS 19 HE3 LYS 19 15.890 1.228 -1.576 401 HZ1 LYS 19 HZ1 LYS 19 15.900 3.207 -0.175 402 HZ2 LYS 19 HZ2 LYS 19 17.011 2.062 0.386 403 HZ3 LYS 19 HZ3 LYS 19 15.536 2.269 1.185 404 H ARG 20 H ARG 20 10.925 -0.561 0.775 405 HA ARG 20 HA ARG 20 8.820 -0.025 -1.181 406 HB2 ARG 20 HB2 ARG 20 7.145 -0.266 0.468 407 HB3 ARG 20 HB3 ARG 20 8.289 -1.611 0.697 408 HG2 ARG 20 HG2 ARG 20 8.801 0.821 2.288 409 HG3 ARG 20 HG3 ARG 20 7.355 -0.100 2.699 410 HD2 ARG 20 HD2 ARG 20 8.539 -1.896 3.433 411 HD3 ARG 20 HD3 ARG 20 9.853 -1.635 2.287 412 HE ARG 20 HE ARG 20 9.744 0.395 4.295 413 HH11 ARG 20 HH11 ARG 20 10.848 -2.865 3.654 414 HH12 ARG 20 HH12 ARG 20 12.104 -2.804 4.844 415 HH21 ARG 20 HH21 ARG 20 11.400 0.469 5.860 416 HH22 ARG 20 HH22 ARG 20 12.417 -0.913 6.097 417 H GLN 21 H GLN 21 7.740 1.817 -1.256 418 HA GLN 21 HA GLN 21 8.758 4.116 0.274 419 HB2 GLN 21 HB2 GLN 21 7.756 4.228 -2.510 420 HB3 GLN 21 HB3 GLN 21 8.722 5.436 -1.668 421 HG2 GLN 21 HG2 GLN 21 10.226 3.069 -1.849 422 HG3 GLN 21 HG3 GLN 21 9.438 3.327 -3.358 423 HE21 GLN 21 HE21 GLN 21 9.605 5.584 -4.225 424 HE22 GLN 21 HE22 GLN 21 11.144 6.321 -4.064 425 H PHE 22 H PHE 22 7.111 5.900 0.274 426 HA PHE 22 HA PHE 22 4.349 4.861 0.057 427 HB2 PHE 22 HB2 PHE 22 5.681 6.702 1.972 428 HB3 PHE 22 HB3 PHE 22 4.051 7.142 1.481 429 HD1 PHE 22 HD1 PHE 22 5.386 3.711 1.923 430 HD2 PHE 22 HD2 PHE 22 2.848 6.753 3.482 431 HE1 PHE 22 HE1 PHE 22 4.466 2.110 3.536 432 HE2 PHE 22 HE2 PHE 22 1.926 5.160 5.102 433 HZ PHE 22 HZ PHE 22 2.743 2.848 5.118 434 H GLU 23 H GLU 23 6.076 5.755 -1.993 435 HA GLU 23 HA GLU 23 4.663 7.983 -3.224 436 HB2 GLU 23 HB2 GLU 23 6.444 9.290 -2.855 437 HB3 GLU 23 HB3 GLU 23 7.331 7.935 -2.140 438 HG2 GLU 23 HG2 GLU 23 8.000 7.202 -4.406 439 HG3 GLU 23 HG3 GLU 23 7.165 8.608 -5.066 440 H ARG 24 H ARG 24 4.923 8.206 -5.366 441 HA ARG 24 HA ARG 24 5.614 5.800 -6.850 442 HB2 ARG 24 HB2 ARG 24 3.602 6.977 -7.492 443 HB3 ARG 24 HB3 ARG 24 4.505 8.469 -7.734 444 HG2 ARG 24 HG2 ARG 24 5.888 7.126 -9.366 445 HG3 ARG 24 HG3 ARG 24 4.566 5.953 -9.294 446 HD2 ARG 24 HD2 ARG 24 3.371 8.457 -9.620 447 HD3 ARG 24 HD3 ARG 24 4.733 8.438 -10.734 448 HE ARG 24 HE ARG 24 3.742 6.738 -11.938 449 HH11 ARG 24 HH11 ARG 24 1.796 7.536 -9.134 450 HH12 ARG 24 HH12 ARG 24 0.408 6.672 -9.701 451 HH21 ARG 24 HH21 ARG 24 1.909 5.599 -12.674 452 HH22 ARG 24 HH22 ARG 24 0.471 5.573 -11.709 453 HA PRO 25 HA PRO 25 9.771 7.255 -6.425 454 HB2 PRO 25 HB2 PRO 25 10.222 5.172 -8.303 455 HB3 PRO 25 HB3 PRO 25 10.926 5.434 -6.737 456 HG2 PRO 25 HG2 PRO 25 9.131 3.511 -7.160 457 HG3 PRO 25 HG3 PRO 25 9.215 4.376 -5.668 458 HD2 PRO 25 HD2 PRO 25 7.177 4.620 -7.798 459 HD3 PRO 25 HD3 PRO 25 7.079 4.876 -6.043 460 H SER 26 H SER 26 11.104 8.380 -7.370 461 HA SER 26 HA SER 26 10.580 9.833 -9.659 462 HB2 SER 26 HB2 SER 26 11.836 10.731 -7.843 463 HB3 SER 26 HB3 SER 26 13.041 9.454 -8.080 464 HG SER 26 HG SER 26 13.915 10.606 -9.621 465 H ASP 27 H ASP 27 12.335 7.148 -8.900 466 HA ASP 27 HA ASP 27 12.928 5.394 -10.255 467 HB2 ASP 27 HB2 ASP 27 12.314 5.458 -12.322 468 HB3 ASP 27 HB3 ASP 27 11.814 7.118 -12.051 Start of MODEL 2 1 H1 LYS 1 H1 LYS 1 6.258 8.581 -13.206 2 H2 LYS 1 H2 LYS 1 5.324 8.386 -14.632 3 H3 LYS 1 H3 LYS 1 6.973 7.910 -14.612 4 HA LYS 1 HA LYS 1 4.879 6.737 -12.912 5 HB2 LYS 1 HB2 LYS 1 4.890 4.863 -14.476 6 HB3 LYS 1 HB3 LYS 1 4.413 6.348 -15.289 7 HG2 LYS 1 HG2 LYS 1 7.176 6.208 -15.620 8 HG3 LYS 1 HG3 LYS 1 6.597 4.558 -15.856 9 HD2 LYS 1 HD2 LYS 1 4.766 6.136 -17.224 10 HD3 LYS 1 HD3 LYS 1 6.328 6.877 -17.571 11 HE2 LYS 1 HE2 LYS 1 6.436 3.992 -17.732 12 HE3 LYS 1 HE3 LYS 1 5.207 4.665 -18.799 13 HZ1 LYS 1 HZ1 LYS 1 8.047 5.531 -18.728 14 HZ2 LYS 1 HZ2 LYS 1 6.859 6.081 -19.799 15 HZ3 LYS 1 HZ3 LYS 1 7.385 4.476 -19.873 16 H LEU 2 H LEU 2 5.604 4.516 -12.181 17 HA LEU 2 HA LEU 2 8.222 4.722 -11.091 18 HB2 LEU 2 HB2 LEU 2 7.320 3.510 -9.447 19 HB3 LEU 2 HB3 LEU 2 5.818 3.492 -10.315 20 HG LEU 2 HG LEU 2 7.848 1.374 -10.089 21 HD11 LEU 2 HD11 LEU 2 5.790 -0.033 -10.020 22 HD12 LEU 2 HD12 LEU 2 4.848 1.452 -10.075 23 HD13 LEU 2 HD13 LEU 2 5.868 1.104 -8.682 24 HD21 LEU 2 HD21 LEU 2 6.261 0.526 -11.982 25 HD22 LEU 2 HD22 LEU 2 7.840 1.326 -12.206 26 HD23 LEU 2 HD23 LEU 2 6.332 2.273 -12.269 27 HA PRO 3 HA PRO 3 10.563 2.075 -13.797 28 HB2 PRO 3 HB2 PRO 3 12.256 1.552 -11.636 29 HB3 PRO 3 HB3 PRO 3 12.387 2.857 -12.820 30 HG2 PRO 3 HG2 PRO 3 11.846 3.321 -10.206 31 HG3 PRO 3 HG3 PRO 3 11.224 4.329 -11.484 32 HD2 PRO 3 HD2 PRO 3 9.809 2.007 -10.231 33 HD3 PRO 3 HD3 PRO 3 9.299 3.664 -10.294 34 HA PRO 4 HA PRO 4 10.579 -2.327 -13.395 35 HB2 PRO 4 HB2 PRO 4 13.457 -1.938 -13.197 36 HB3 PRO 4 HB3 PRO 4 12.548 -3.052 -14.172 37 HG2 PRO 4 HG2 PRO 4 13.392 -1.031 -15.405 38 HG3 PRO 4 HG3 PRO 4 11.659 -1.302 -15.472 39 HD2 PRO 4 HD2 PRO 4 13.096 0.479 -13.660 40 HD3 PRO 4 HD3 PRO 4 11.803 0.845 -14.764 41 H GLY 5 H GLY 5 10.781 -3.963 -12.014 42 HA2 GLY 5 HA2 GLY 5 11.019 -5.029 -10.001 43 HA3 GLY 5 HA3 GLY 5 12.190 -3.803 -9.624 44 H TRP 6 H TRP 6 10.092 -1.662 -10.098 45 HA TRP 6 HA TRP 6 9.128 -1.527 -7.408 46 HB2 TRP 6 HB2 TRP 6 9.290 0.236 -9.743 47 HB3 TRP 6 HB3 TRP 6 8.031 0.605 -8.656 48 HD1 TRP 6 HD1 TRP 6 11.162 1.637 -9.522 49 HE1 TRP 6 HE1 TRP 6 12.377 2.901 -7.649 50 HE3 TRP 6 HE3 TRP 6 8.340 0.152 -5.772 51 HZ2 TRP 6 HZ2 TRP 6 12.082 3.174 -4.858 52 HZ3 TRP 6 HZ3 TRP 6 8.813 0.916 -3.538 53 HH2 TRP 6 HH2 TRP 6 10.575 2.371 -3.068 54 H GLU 7 H GLU 7 7.040 -1.782 -6.758 55 HA GLU 7 HA GLU 7 4.924 -1.997 -8.749 56 HB2 GLU 7 HB2 GLU 7 4.955 -4.061 -6.583 57 HB3 GLU 7 HB3 GLU 7 4.154 -4.093 -8.143 58 HG2 GLU 7 HG2 GLU 7 5.837 -5.206 -9.063 59 HG3 GLU 7 HG3 GLU 7 7.017 -4.035 -8.481 60 H LYS 8 H LYS 8 3.422 -0.605 -8.131 61 HA LYS 8 HA LYS 8 3.324 0.573 -5.556 62 HB2 LYS 8 HB2 LYS 8 2.277 1.678 -7.615 63 HB3 LYS 8 HB3 LYS 8 1.086 0.376 -7.671 64 HG2 LYS 8 HG2 LYS 8 0.075 1.080 -5.628 65 HG3 LYS 8 HG3 LYS 8 1.370 2.235 -5.319 66 HD2 LYS 8 HD2 LYS 8 -0.173 3.661 -6.196 67 HD3 LYS 8 HD3 LYS 8 0.602 3.148 -7.695 68 HE2 LYS 8 HE2 LYS 8 -1.163 1.335 -7.825 69 HE3 LYS 8 HE3 LYS 8 -1.992 2.180 -6.520 70 HZ1 LYS 8 HZ1 LYS 8 -1.231 3.850 -8.758 71 HZ2 LYS 8 HZ2 LYS 8 -2.684 3.791 -7.894 72 HZ3 LYS 8 HZ3 LYS 8 -2.386 2.667 -9.121 73 H ARG 9 H ARG 9 2.418 -0.199 -3.706 74 HA ARG 9 HA ARG 9 0.551 -2.480 -3.893 75 HB2 ARG 9 HB2 ARG 9 2.914 -2.999 -3.089 76 HB3 ARG 9 HB3 ARG 9 2.523 -2.070 -1.649 77 HG2 ARG 9 HG2 ARG 9 0.636 -3.612 -1.218 78 HG3 ARG 9 HG3 ARG 9 1.154 -4.576 -2.603 79 HD2 ARG 9 HD2 ARG 9 2.716 -4.049 -0.081 80 HD3 ARG 9 HD3 ARG 9 2.040 -5.578 -0.602 81 HE ARG 9 HE ARG 9 4.434 -4.319 -1.487 82 HH11 ARG 9 HH11 ARG 9 2.002 -6.735 -2.257 83 HH12 ARG 9 HH12 ARG 9 3.146 -7.777 -3.033 84 HH21 ARG 9 HH21 ARG 9 5.823 -5.644 -2.359 85 HH22 ARG 9 HH22 ARG 9 5.382 -7.140 -3.114 86 H CYS 10 H CYS 10 -1.399 -1.556 -3.472 87 HA CYS 10 HA CYS 10 -1.597 0.233 -1.143 88 HB2 CYS 10 HB2 CYS 10 -3.936 -0.066 -2.928 89 HB3 CYS 10 HB3 CYS 10 -3.297 1.361 -2.131 90 H PHE 11 H PHE 11 -1.948 -0.875 0.630 91 HA PHE 11 HA PHE 11 -4.129 -2.845 0.623 92 HB2 PHE 11 HB2 PHE 11 -3.037 -4.053 2.414 93 HB3 PHE 11 HB3 PHE 11 -1.867 -3.828 1.110 94 HD1 PHE 11 HD1 PHE 11 -2.917 -2.631 4.449 95 HD2 PHE 11 HD2 PHE 11 0.142 -2.616 1.480 96 HE1 PHE 11 HE1 PHE 11 -1.360 -1.608 6.056 97 HE2 PHE 11 HE2 PHE 11 1.693 -1.586 3.087 98 HZ PHE 11 HZ PHE 11 0.945 -1.082 5.375 99 H TYR 12 H TYR 12 -5.702 -2.624 2.192 100 HA TYR 12 HA TYR 12 -5.765 -0.111 3.637 101 HB2 TYR 12 HB2 TYR 12 -7.740 -2.234 2.973 102 HB3 TYR 12 HB3 TYR 12 -8.008 -1.366 4.488 103 HD1 TYR 12 HD1 TYR 12 -8.375 1.061 4.467 104 HD2 TYR 12 HD2 TYR 12 -7.981 -1.089 0.834 105 HE1 TYR 12 HE1 TYR 12 -9.345 2.893 3.315 106 HE2 TYR 12 HE2 TYR 12 -8.936 0.757 -0.392 107 HH TYR 12 HH TYR 12 -10.327 3.536 1.275 108 H PHE 13 H PHE 13 -5.462 0.078 5.860 109 HA PHE 13 HA PHE 13 -4.905 -2.476 7.271 110 HB2 PHE 13 HB2 PHE 13 -2.962 -0.794 6.989 111 HB3 PHE 13 HB3 PHE 13 -3.821 0.186 8.184 112 HD1 PHE 13 HD1 PHE 13 -2.387 -3.145 7.591 113 HD2 PHE 13 HD2 PHE 13 -3.646 -0.336 10.516 114 HE1 PHE 13 HE1 PHE 13 -1.380 -4.520 9.331 115 HE2 PHE 13 HE2 PHE 13 -2.621 -1.662 12.278 116 HZ PHE 13 HZ PHE 13 -1.475 -3.785 11.696 117 H ASN 14 H ASN 14 -6.253 -3.000 8.740 118 HA ASN 14 HA ASN 14 -8.097 -0.978 9.676 119 HB2 ASN 14 HB2 ASN 14 -8.774 -3.349 8.773 120 HB3 ASN 14 HB3 ASN 14 -8.384 -3.884 10.370 121 HD21 ASN 14 HD21 ASN 14 -10.849 -4.354 9.777 122 HD22 ASN 14 HD22 ASN 14 -11.946 -3.205 10.457 123 H ARG 15 H ARG 15 -6.325 -0.073 10.991 124 HA ARG 15 HA ARG 15 -4.803 -1.362 12.798 125 HB2 ARG 15 HB2 ARG 15 -4.100 0.712 12.912 126 HB3 ARG 15 HB3 ARG 15 -5.678 1.387 12.516 127 HG2 ARG 15 HG2 ARG 15 -6.304 1.589 14.717 128 HG3 ARG 15 HG3 ARG 15 -5.195 0.329 15.260 129 HD2 ARG 15 HD2 ARG 15 -4.258 2.972 14.163 130 HD3 ARG 15 HD3 ARG 15 -4.564 2.703 15.879 131 HE ARG 15 HE ARG 15 -2.306 1.805 14.363 132 HH11 ARG 15 HH11 ARG 15 -4.293 1.097 17.161 133 HH12 ARG 15 HH12 ARG 15 -3.049 0.207 17.970 134 HH21 ARG 15 HH21 ARG 15 -0.673 0.630 15.436 135 HH22 ARG 15 HH22 ARG 15 -0.995 -0.058 16.993 136 H ILE 16 H ILE 16 -8.287 -1.207 13.107 137 HA ILE 16 HA ILE 16 -8.477 -1.541 15.863 138 HB ILE 16 HB ILE 16 -10.155 -2.287 13.540 139 HG12 ILE 16 HG12 ILE 16 -10.923 -0.238 13.824 140 HG13 ILE 16 HG13 ILE 16 -11.436 -0.661 15.419 141 HG21 ILE 16 HG21 ILE 16 -10.497 -2.802 16.448 142 HG22 ILE 16 HG22 ILE 16 -10.360 -4.001 15.151 143 HG23 ILE 16 HG23 ILE 16 -11.804 -2.963 15.266 144 HD11 ILE 16 HD11 ILE 16 -9.885 1.414 14.899 145 HD12 ILE 16 HD12 ILE 16 -8.637 0.177 15.103 146 HD13 ILE 16 HD13 ILE 16 -9.776 0.497 16.408 147 H THR 17 H THR 17 -8.470 -3.600 13.102 148 HA THR 17 HA THR 17 -7.963 -5.969 14.594 149 HB THR 17 HB THR 17 -8.698 -7.155 12.728 150 HG1 THR 17 HG1 THR 17 -7.513 -5.931 11.155 151 HG21 THR 17 HG21 THR 17 -10.860 -6.281 12.432 152 HG22 THR 17 HG22 THR 17 -10.301 -4.622 12.767 153 HG23 THR 17 HG23 THR 17 -10.316 -5.836 14.053 154 H GLY 18 H GLY 18 -6.245 -3.581 13.626 155 HA2 GLY 18 HA2 GLY 18 -4.295 -3.195 12.484 156 HA3 GLY 18 HA3 GLY 18 -3.692 -4.291 13.683 157 H LYS 19 H LYS 19 -5.956 -5.065 11.147 158 HA LYS 19 HA LYS 19 -3.992 -6.863 9.970 159 HB2 LYS 19 HB2 LYS 19 -5.569 -8.413 9.672 160 HB3 LYS 19 HB3 LYS 19 -6.337 -7.553 11.029 161 HG2 LYS 19 HG2 LYS 19 -7.940 -6.686 9.724 162 HG3 LYS 19 HG3 LYS 19 -6.884 -6.594 8.307 163 HD2 LYS 19 HD2 LYS 19 -7.776 -9.251 9.356 164 HD3 LYS 19 HD3 LYS 19 -8.851 -8.303 8.327 165 HE2 LYS 19 HE2 LYS 19 -7.453 -8.466 6.491 166 HE3 LYS 19 HE3 LYS 19 -6.027 -8.785 7.477 167 HZ1 LYS 19 HZ1 LYS 19 -8.266 -10.666 6.959 168 HZ2 LYS 19 HZ2 LYS 19 -6.971 -10.978 8.001 169 HZ3 LYS 19 HZ3 LYS 19 -6.694 -10.779 6.345 170 H ARG 20 H ARG 20 -4.179 -7.243 7.648 171 HA ARG 20 HA ARG 20 -4.822 -4.721 6.314 172 HB2 ARG 20 HB2 ARG 20 -2.864 -4.861 4.991 173 HB3 ARG 20 HB3 ARG 20 -2.396 -5.277 6.661 174 HG2 ARG 20 HG2 ARG 20 -2.812 -7.728 5.827 175 HG3 ARG 20 HG3 ARG 20 -2.540 -7.003 4.240 176 HD2 ARG 20 HD2 ARG 20 -0.399 -6.097 5.044 177 HD3 ARG 20 HD3 ARG 20 -0.669 -6.872 6.603 178 HE ARG 20 HE ARG 20 -0.832 -8.852 4.658 179 HH11 ARG 20 HH11 ARG 20 1.578 -6.649 5.923 180 HH12 ARG 20 HH12 ARG 20 2.904 -7.704 5.572 181 HH21 ARG 20 HH21 ARG 20 0.922 -10.239 4.199 182 HH22 ARG 20 HH22 ARG 20 2.533 -9.741 4.594 183 H GLN 21 H GLN 21 -5.506 -4.602 4.290 184 HA GLN 21 HA GLN 21 -6.435 -7.045 2.933 185 HB2 GLN 21 HB2 GLN 21 -7.869 -4.445 2.968 186 HB3 GLN 21 HB3 GLN 21 -8.506 -6.007 2.461 187 HG2 GLN 21 HG2 GLN 21 -7.784 -6.129 5.192 188 HG3 GLN 21 HG3 GLN 21 -8.651 -4.674 4.888 189 HE21 GLN 21 HE21 GLN 21 -10.675 -4.930 3.599 190 HE22 GLN 21 HE22 GLN 21 -11.639 -6.290 3.998 191 H PHE 22 H PHE 22 -6.938 -6.455 0.562 192 HA PHE 22 HA PHE 22 -5.164 -4.282 -0.377 193 HB2 PHE 22 HB2 PHE 22 -5.664 -7.027 -1.371 194 HB3 PHE 22 HB3 PHE 22 -5.582 -5.778 -2.607 195 HD1 PHE 22 HD1 PHE 22 -3.702 -6.108 0.578 196 HD2 PHE 22 HD2 PHE 22 -3.520 -6.077 -3.661 197 HE1 PHE 22 HE1 PHE 22 -1.260 -6.164 0.687 198 HE2 PHE 22 HE2 PHE 22 -1.079 -6.137 -3.562 199 HZ PHE 22 HZ PHE 22 0.034 -6.182 -1.386 200 H GLU 23 H GLU 23 -7.838 -4.185 0.606 201 HA GLU 23 HA GLU 23 -9.381 -2.976 -1.559 202 HB2 GLU 23 HB2 GLU 23 -10.771 -4.739 -1.525 203 HB3 GLU 23 HB3 GLU 23 -9.830 -5.480 -0.226 204 HG2 GLU 23 HG2 GLU 23 -11.106 -4.109 1.422 205 HG3 GLU 23 HG3 GLU 23 -12.102 -3.536 0.085 206 H ARG 24 H ARG 24 -11.151 -1.776 -0.853 207 HA ARG 24 HA ARG 24 -10.814 -0.635 1.806 208 HB2 ARG 24 HB2 ARG 24 -10.957 1.000 0.049 209 HB3 ARG 24 HB3 ARG 24 -12.450 0.287 -0.556 210 HG2 ARG 24 HG2 ARG 24 -13.266 0.709 1.855 211 HG3 ARG 24 HG3 ARG 24 -11.962 1.908 1.884 212 HD2 ARG 24 HD2 ARG 24 -13.551 2.014 -0.552 213 HD3 ARG 24 HD3 ARG 24 -14.537 2.259 0.885 214 HE ARG 24 HE ARG 24 -13.461 4.248 1.291 215 HH11 ARG 24 HH11 ARG 24 -11.949 2.616 -1.416 216 HH12 ARG 24 HH12 ARG 24 -11.067 4.016 -1.923 217 HH21 ARG 24 HH21 ARG 24 -12.295 6.087 0.614 218 HH22 ARG 24 HH22 ARG 24 -11.263 5.984 -0.772 219 HA PRO 25 HA PRO 25 -13.298 -4.124 2.992 220 HB2 PRO 25 HB2 PRO 25 -13.680 -2.432 5.257 221 HB3 PRO 25 HB3 PRO 25 -13.127 -4.073 5.164 222 HG2 PRO 25 HG2 PRO 25 -11.460 -1.935 5.541 223 HG3 PRO 25 HG3 PRO 25 -10.978 -3.449 4.892 224 HD2 PRO 25 HD2 PRO 25 -11.062 -0.962 3.531 225 HD3 PRO 25 HD3 PRO 25 -10.476 -2.542 3.003 226 H SER 26 H SER 26 -15.208 -4.709 3.042 227 HA SER 26 HA SER 26 -17.261 -3.445 1.833 228 HB2 SER 26 HB2 SER 26 -17.172 -5.807 2.056 229 HB3 SER 26 HB3 SER 26 -17.329 -5.637 3.811 230 HG SER 26 HG SER 26 -19.268 -5.189 1.798 231 H ASP 27 H ASP 27 -16.493 -3.670 5.071 232 HA ASP 27 HA ASP 27 -17.032 -2.365 6.851 233 HB2 ASP 27 HB2 ASP 27 -17.266 -0.339 6.139 234 HB3 ASP 27 HB3 ASP 27 -17.769 -0.929 4.560 235 H1 LYS 1 H1 LYS 1 -16.926 6.060 3.232 236 H2 LYS 1 H2 LYS 1 -15.807 7.248 2.701 237 H3 LYS 1 H3 LYS 1 -15.896 6.832 4.364 238 HA LYS 1 HA LYS 1 -15.111 5.005 2.191 239 HB2 LYS 1 HB2 LYS 1 -12.837 5.330 2.961 240 HB3 LYS 1 HB3 LYS 1 -13.533 6.890 2.549 241 HG2 LYS 1 HG2 LYS 1 -13.931 6.239 5.345 242 HG3 LYS 1 HG3 LYS 1 -12.225 6.224 4.893 243 HD2 LYS 1 HD2 LYS 1 -12.669 8.475 3.784 244 HD3 LYS 1 HD3 LYS 1 -14.201 8.479 4.654 245 HE2 LYS 1 HE2 LYS 1 -11.433 8.386 5.828 246 HE3 LYS 1 HE3 LYS 1 -12.578 9.721 5.904 247 HZ1 LYS 1 HZ1 LYS 1 -12.693 7.123 7.306 248 HZ2 LYS 1 HZ2 LYS 1 -14.080 8.070 7.106 249 HZ3 LYS 1 HZ3 LYS 1 -12.756 8.681 7.962 250 H LEU 2 H LEU 2 -13.756 3.186 3.217 251 HA LEU 2 HA LEU 2 -15.211 1.525 4.657 252 HB2 LEU 2 HB2 LEU 2 -13.369 0.171 4.947 253 HB3 LEU 2 HB3 LEU 2 -13.033 1.112 3.518 254 HG LEU 2 HG LEU 2 -11.872 1.410 6.228 255 HD11 LEU 2 HD11 LEU 2 -10.558 -0.060 5.019 256 HD12 LEU 2 HD12 LEU 2 -9.836 1.531 4.663 257 HD13 LEU 2 HD13 LEU 2 -10.932 0.767 3.503 258 HD21 LEU 2 HD21 LEU 2 -10.916 3.408 5.603 259 HD22 LEU 2 HD22 LEU 2 -12.644 3.493 5.231 260 HD23 LEU 2 HD23 LEU 2 -11.437 3.198 3.928 261 HA PRO 3 HA PRO 3 -15.882 1.730 8.944 262 HB2 PRO 3 HB2 PRO 3 -14.084 -0.558 9.173 263 HB3 PRO 3 HB3 PRO 3 -15.746 -0.374 9.717 264 HG2 PRO 3 HG2 PRO 3 -15.141 -1.761 7.532 265 HG3 PRO 3 HG3 PRO 3 -16.616 -0.803 7.632 266 HD2 PRO 3 HD2 PRO 3 -14.116 -0.288 6.138 267 HD3 PRO 3 HD3 PRO 3 -15.755 0.180 5.767 268 HA PRO 4 HA PRO 4 -12.956 3.534 11.635 269 HB2 PRO 4 HB2 PRO 4 -13.926 1.451 13.417 270 HB3 PRO 4 HB3 PRO 4 -13.733 3.154 13.696 271 HG2 PRO 4 HG2 PRO 4 -16.096 2.428 13.256 272 HG3 PRO 4 HG3 PRO 4 -15.466 3.672 12.190 273 HD2 PRO 4 HD2 PRO 4 -15.548 0.799 11.686 274 HD3 PRO 4 HD3 PRO 4 -16.242 2.097 10.755 275 H GLY 5 H GLY 5 -11.054 3.289 12.595 276 HA2 GLY 5 HA2 GLY 5 -9.044 2.298 13.115 277 HA3 GLY 5 HA3 GLY 5 -9.848 0.765 12.881 278 H TRP 6 H TRP 6 -10.697 1.591 10.092 279 HA TRP 6 HA TRP 6 -8.475 0.524 8.735 280 HB2 TRP 6 HB2 TRP 6 -11.145 1.515 7.965 281 HB3 TRP 6 HB3 TRP 6 -9.968 1.340 6.727 282 HD1 TRP 6 HD1 TRP 6 -12.724 -0.235 7.897 283 HE1 TRP 6 HE1 TRP 6 -12.708 -2.785 7.704 284 HE3 TRP 6 HE3 TRP 6 -7.890 -0.841 6.845 285 HZ2 TRP 6 HZ2 TRP 6 -10.785 -4.792 7.115 286 HZ3 TRP 6 HZ3 TRP 6 -7.010 -3.056 6.443 287 HH2 TRP 6 HH2 TRP 6 -8.385 -4.957 6.535 288 H GLU 7 H GLU 7 -7.309 1.468 7.081 289 HA GLU 7 HA GLU 7 -7.596 4.161 6.334 290 HB2 GLU 7 HB2 GLU 7 -5.098 4.637 7.131 291 HB3 GLU 7 HB3 GLU 7 -6.505 5.115 8.058 292 HG2 GLU 7 HG2 GLU 7 -6.221 2.854 9.265 293 HG3 GLU 7 HG3 GLU 7 -4.606 2.851 8.558 294 H LYS 8 H LYS 8 -7.417 3.713 4.340 295 HA LYS 8 HA LYS 8 -6.055 1.703 3.081 296 HB2 LYS 8 HB2 LYS 8 -7.654 3.552 2.026 297 HB3 LYS 8 HB3 LYS 8 -6.177 4.503 1.828 298 HG2 LYS 8 HG2 LYS 8 -5.192 2.659 0.489 299 HG3 LYS 8 HG3 LYS 8 -6.727 1.802 0.600 300 HD2 LYS 8 HD2 LYS 8 -7.590 3.004 -1.064 301 HD3 LYS 8 HD3 LYS 8 -7.146 4.517 -0.269 302 HE2 LYS 8 HE2 LYS 8 -4.748 3.911 -1.134 303 HE3 LYS 8 HE3 LYS 8 -5.635 2.909 -2.282 304 HZ1 LYS 8 HZ1 LYS 8 -5.158 5.147 -3.132 305 HZ2 LYS 8 HZ2 LYS 8 -6.079 5.819 -1.883 306 HZ3 LYS 8 HZ3 LYS 8 -6.820 4.841 -3.047 307 H ARG 9 H ARG 9 -3.906 1.386 2.397 308 HA ARG 9 HA ARG 9 -1.967 3.562 2.723 309 HB2 ARG 9 HB2 ARG 9 -2.036 2.249 4.849 310 HB3 ARG 9 HB3 ARG 9 -1.544 0.827 3.940 311 HG2 ARG 9 HG2 ARG 9 0.599 1.443 3.930 312 HG3 ARG 9 HG3 ARG 9 0.210 3.113 3.513 313 HD2 ARG 9 HD2 ARG 9 0.171 1.872 6.258 314 HD3 ARG 9 HD3 ARG 9 1.263 3.106 5.669 315 HE ARG 9 HE ARG 9 -0.434 4.648 5.811 316 HH11 ARG 9 HH11 ARG 9 -1.560 1.472 6.831 317 HH12 ARG 9 HH12 ARG 9 -2.761 2.135 7.885 318 HH21 ARG 9 HH21 ARG 9 -1.853 5.421 7.163 319 HH22 ARG 9 HH22 ARG 9 -2.952 4.442 8.073 320 H CYS 10 H CYS 10 -0.744 3.692 0.926 321 HA CYS 10 HA CYS 10 -0.179 1.184 -0.509 322 HB2 CYS 10 HB2 CYS 10 -1.923 2.453 -1.704 323 HB3 CYS 10 HB3 CYS 10 -0.842 3.836 -1.802 324 H PHE 11 H PHE 11 1.883 0.759 -0.388 325 HA PHE 11 HA PHE 11 3.785 2.960 -0.809 326 HB2 PHE 11 HB2 PHE 11 5.415 1.873 0.596 327 HB3 PHE 11 HB3 PHE 11 3.899 1.923 1.495 328 HD1 PHE 11 HD2 PHE 11 6.092 -0.244 -0.556 329 HD2 PHE 11 HD1 PHE 11 2.931 -0.076 2.311 330 HE1 PHE 11 HE2 PHE 11 6.291 -2.680 -0.195 331 HE2 PHE 11 HE1 PHE 11 3.128 -2.512 2.672 332 HZ PHE 11 HZ PHE 11 4.808 -3.815 1.418 333 H TYR 12 H TYR 12 5.260 2.701 -2.433 334 HA TYR 12 HA TYR 12 4.918 0.533 -4.286 335 HB2 TYR 12 HB2 TYR 12 6.608 3.014 -4.195 336 HB3 TYR 12 HB3 TYR 12 7.144 1.707 -5.230 337 HD1 TYR 12 HD2 TYR 12 3.870 3.244 -4.396 338 HD2 TYR 12 HD1 TYR 12 6.496 2.019 -7.506 339 HE1 TYR 12 HE2 TYR 12 2.276 3.988 -6.006 340 HE2 TYR 12 HE1 TYR 12 4.901 2.743 -9.163 341 HH TYR 12 HH TYR 12 2.026 4.567 -8.287 342 H PHE 13 H PHE 13 6.481 -1.103 -4.682 343 HA PHE 13 HA PHE 13 8.730 -1.202 -2.749 344 HB2 PHE 13 HB2 PHE 13 6.780 -2.789 -2.151 345 HB3 PHE 13 HB3 PHE 13 7.274 -3.715 -3.573 346 HD1 PHE 13 HD1 PHE 13 8.364 -2.442 -0.316 347 HD2 PHE 13 HD2 PHE 13 9.289 -5.061 -3.542 348 HE1 PHE 13 HE1 PHE 13 10.098 -3.494 1.049 349 HE2 PHE 13 HE2 PHE 13 10.993 -6.169 -2.193 350 HZ PHE 13 HZ PHE 13 11.426 -5.383 0.125 351 H ASN 14 H ASN 14 10.498 -1.143 -3.888 352 HA ASN 14 HA ASN 14 10.469 -2.181 -6.573 353 HB2 ASN 14 HB2 ASN 14 12.898 -1.275 -6.562 354 HB3 ASN 14 HB3 ASN 14 11.577 -0.167 -6.702 355 HD21 ASN 14 HD21 ASN 14 13.917 0.828 -6.044 356 HD22 ASN 14 HD22 ASN 14 13.943 1.284 -4.379 357 H ARG 15 H ARG 15 10.408 -4.385 -6.025 358 HA ARG 15 HA ARG 15 11.987 -5.597 -4.151 359 HB2 ARG 15 HB2 ARG 15 10.491 -7.101 -4.796 360 HB3 ARG 15 HB3 ARG 15 10.461 -6.546 -6.469 361 HG2 ARG 15 HG2 ARG 15 12.311 -7.858 -7.057 362 HG3 ARG 15 HG3 ARG 15 12.745 -8.148 -5.372 363 HD2 ARG 15 HD2 ARG 15 10.093 -9.067 -6.416 364 HD3 ARG 15 HD3 ARG 15 11.543 -10.019 -6.735 365 HE ARG 15 HE ARG 15 10.155 -9.760 -4.239 366 HH11 ARG 15 HH11 ARG 15 13.264 -10.443 -5.703 367 HH12 ARG 15 HH12 ARG 15 13.847 -11.336 -4.340 368 HH21 ARG 15 HH21 ARG 15 10.932 -10.935 -2.446 369 HH22 ARG 15 HH22 ARG 15 12.524 -11.616 -2.491 370 H ILE 16 H ILE 16 13.231 -3.984 -6.918 371 HA ILE 16 HA ILE 16 15.428 -5.563 -7.488 372 HB ILE 16 HB ILE 16 15.065 -2.625 -7.611 373 HG12 ILE 16 HG12 ILE 16 13.510 -3.397 -9.056 374 HG13 ILE 16 HG13 ILE 16 14.888 -3.315 -10.080 375 HG21 ILE 16 HG21 ILE 16 16.972 -2.832 -9.187 376 HG22 ILE 16 HG22 ILE 16 17.115 -4.509 -8.637 377 HG23 ILE 16 HG23 ILE 16 17.322 -3.184 -7.481 378 HD11 ILE 16 HD11 ILE 16 15.095 -5.621 -10.212 379 HD12 ILE 16 HD12 ILE 16 13.348 -5.318 -10.305 380 HD13 ILE 16 HD13 ILE 16 14.088 -5.862 -8.781 381 H THR 17 H THR 17 14.816 -2.770 -5.547 382 HA THR 17 HA THR 17 17.136 -3.199 -3.938 383 HB THR 17 HB THR 17 17.449 -0.961 -3.756 384 HG1 THR 17 HG1 THR 17 15.275 -0.585 -2.978 385 HG21 THR 17 HG21 THR 17 15.968 -1.169 -6.363 386 HG22 THR 17 HG22 THR 17 17.612 -1.745 -6.061 387 HG23 THR 17 HG23 THR 17 17.258 -0.018 -5.930 388 H GLY 18 H GLY 18 14.413 -4.313 -3.945 389 HA2 GLY 18 HA2 GLY 18 12.535 -4.493 -2.630 390 HA3 GLY 18 HA3 GLY 18 13.732 -4.989 -1.472 391 H LYS 19 H LYS 19 13.424 -1.753 -2.808 392 HA LYS 19 HA LYS 19 13.179 -0.658 -0.167 393 HB2 LYS 19 HB2 LYS 19 13.787 0.283 -2.841 394 HB3 LYS 19 HB3 LYS 19 12.978 1.436 -1.775 395 HG2 LYS 19 HG2 LYS 19 14.698 0.876 -0.096 396 HG3 LYS 19 HG3 LYS 19 15.553 0.005 -1.397 397 HD2 LYS 19 HD2 LYS 19 16.216 1.929 -2.402 398 HD3 LYS 19 HD3 LYS 19 14.720 2.777 -2.008 399 HE2 LYS 19 HE2 LYS 19 16.245 2.203 0.374 400 HE3 LYS 19 HE3 LYS 19 17.219 3.090 -0.797 401 HZ1 LYS 19 HZ1 LYS 19 14.572 3.911 0.274 402 HZ2 LYS 19 HZ2 LYS 19 15.424 4.743 -0.929 403 HZ3 LYS 19 HZ3 LYS 19 16.067 4.620 0.630 404 H ARG 20 H ARG 20 11.650 1.007 0.361 405 HA ARG 20 HA ARG 20 9.106 0.706 -1.021 406 HB2 ARG 20 HB2 ARG 20 7.853 0.475 0.964 407 HB3 ARG 20 HB3 ARG 20 9.210 -0.689 1.018 408 HG2 ARG 20 HG2 ARG 20 10.082 1.694 2.264 409 HG3 ARG 20 HG3 ARG 20 8.491 1.303 2.917 410 HD2 ARG 20 HD2 ARG 20 9.238 -0.915 3.512 411 HD3 ARG 20 HD3 ARG 20 10.796 -0.629 2.739 412 HE ARG 20 HE ARG 20 9.976 1.076 4.978 413 HH11 ARG 20 HH11 ARG 20 12.119 -1.399 3.717 414 HH12 ARG 20 HH12 ARG 20 13.253 -1.243 5.015 415 HH21 ARG 20 HH21 ARG 20 11.476 1.268 6.678 416 HH22 ARG 20 HH22 ARG 20 12.889 0.266 6.694 417 H GLN 21 H GLN 21 7.823 2.374 -1.197 418 HA GLN 21 HA GLN 21 8.227 4.809 0.290 419 HB2 GLN 21 HB2 GLN 21 8.112 5.627 -2.360 420 HB3 GLN 21 HB3 GLN 21 9.398 5.902 -1.230 421 HG2 GLN 21 HG2 GLN 21 10.206 3.607 -1.896 422 HG3 GLN 21 HG3 GLN 21 9.048 3.704 -3.184 423 HE21 GLN 21 HE21 GLN 21 9.233 5.761 -4.496 424 HE22 GLN 21 HE22 GLN 21 10.830 6.239 -4.894 425 H PHE 22 H PHE 22 6.317 6.128 0.185 426 HA PHE 22 HA PHE 22 3.977 4.732 -0.819 427 HB2 PHE 22 HB2 PHE 22 4.327 7.442 0.480 428 HB3 PHE 22 HB3 PHE 22 2.765 6.751 0.069 429 HD1 PHE 22 HD1 PHE 22 2.755 4.079 0.977 430 HD2 PHE 22 HD2 PHE 22 4.718 7.414 2.748 431 HE1 PHE 22 HE1 PHE 22 2.689 2.954 3.151 432 HE2 PHE 22 HE2 PHE 22 4.658 6.295 4.928 433 HZ PHE 22 HZ PHE 22 3.643 4.070 5.114 434 H GLU 23 H GLU 23 5.807 5.401 -2.838 435 HA GLU 23 HA GLU 23 4.330 7.251 -4.548 436 HB2 GLU 23 HB2 GLU 23 5.972 8.760 -4.286 437 HB3 GLU 23 HB3 GLU 23 6.888 7.620 -3.289 438 HG2 GLU 23 HG2 GLU 23 7.751 6.573 -5.382 439 HG3 GLU 23 HG3 GLU 23 6.970 7.870 -6.287 440 H ARG 24 H ARG 24 4.890 7.273 -6.669 441 HA ARG 24 HA ARG 24 5.886 4.749 -7.798 442 HB2 ARG 24 HB2 ARG 24 3.690 5.472 -8.530 443 HB3 ARG 24 HB3 ARG 24 4.301 7.066 -8.927 444 HG2 ARG 24 HG2 ARG 24 4.954 6.424 -10.915 445 HG3 ARG 24 HG3 ARG 24 5.680 4.928 -10.331 446 HD2 ARG 24 HD2 ARG 24 3.806 3.715 -10.686 447 HD3 ARG 24 HD3 ARG 24 2.738 5.042 -10.252 448 HE ARG 24 HE ARG 24 3.666 4.305 -12.864 449 HH11 ARG 24 HH11 ARG 24 2.349 6.903 -10.916 450 HH12 ARG 24 HH12 ARG 24 1.628 7.718 -12.262 451 HH21 ARG 24 HH21 ARG 24 2.690 5.381 -14.639 452 HH22 ARG 24 HH22 ARG 24 1.823 6.856 -14.375 453 HA PRO 25 HA PRO 25 9.697 7.105 -7.415 454 HB2 PRO 25 HB2 PRO 25 10.627 4.752 -8.787 455 HB3 PRO 25 HB3 PRO 25 11.217 5.521 -7.345 456 HG2 PRO 25 HG2 PRO 25 9.774 3.294 -7.247 457 HG3 PRO 25 HG3 PRO 25 9.677 4.487 -6.021 458 HD2 PRO 25 HD2 PRO 25 7.672 3.812 -8.047 459 HD3 PRO 25 HD3 PRO 25 7.516 4.567 -6.467 460 H SER 26 H SER 26 10.937 8.232 -8.534 461 HA SER 26 HA SER 26 10.254 9.358 -10.896 462 HB2 SER 26 HB2 SER 26 12.919 9.096 -9.680 463 HB3 SER 26 HB3 SER 26 12.456 10.313 -10.876 464 HG SER 26 HG SER 26 11.268 11.357 -9.386 465 H ASP 27 H ASP 27 12.186 6.756 -10.208 466 HA ASP 27 HA ASP 27 12.843 4.999 -11.466 467 HB2 ASP 27 HB2 ASP 27 11.394 4.644 -13.035 468 HB3 ASP 27 HB3 ASP 27 10.922 6.340 -12.984 Start of MODEL 3 1 H1 LYS 1 H1 LYS 1 8.592 8.546 -14.959 2 H2 LYS 1 H2 LYS 1 8.077 9.411 -13.569 3 H3 LYS 1 H3 LYS 1 7.014 9.217 -14.902 4 HA LYS 1 HA LYS 1 6.558 7.778 -12.977 5 HB2 LYS 1 HB2 LYS 1 6.211 5.787 -14.384 6 HB3 LYS 1 HB3 LYS 1 5.713 7.265 -15.198 7 HG2 LYS 1 HG2 LYS 1 8.477 6.326 -15.680 8 HG3 LYS 1 HG3 LYS 1 7.169 5.369 -16.375 9 HD2 LYS 1 HD2 LYS 1 6.310 7.744 -17.151 10 HD3 LYS 1 HD3 LYS 1 8.012 8.162 -16.978 11 HE2 LYS 1 HE2 LYS 1 7.719 7.521 -19.216 12 HE3 LYS 1 HE3 LYS 1 8.527 6.173 -18.423 13 HZ1 LYS 1 HZ1 LYS 1 5.596 6.302 -18.873 14 HZ2 LYS 1 HZ2 LYS 1 6.490 4.970 -18.335 15 HZ3 LYS 1 HZ3 LYS 1 6.673 5.525 -19.921 16 H LEU 2 H LEU 2 7.083 5.656 -12.039 17 HA LEU 2 HA LEU 2 9.832 5.533 -11.421 18 HB2 LEU 2 HB2 LEU 2 9.289 4.636 -9.507 19 HB3 LEU 2 HB3 LEU 2 7.687 5.165 -9.929 20 HG LEU 2 HG LEU 2 8.834 2.466 -9.846 21 HD11 LEU 2 HD11 LEU 2 6.490 3.925 -8.807 22 HD12 LEU 2 HD12 LEU 2 7.622 2.893 -7.935 23 HD13 LEU 2 HD13 LEU 2 6.391 2.170 -8.993 24 HD21 LEU 2 HD21 LEU 2 6.554 1.862 -10.869 25 HD22 LEU 2 HD22 LEU 2 8.025 2.200 -11.871 26 HD23 LEU 2 HD23 LEU 2 6.786 3.429 -11.659 27 HA PRO 3 HA PRO 3 11.729 2.289 -13.613 28 HB2 PRO 3 HB2 PRO 3 12.834 1.297 -11.188 29 HB3 PRO 3 HB3 PRO 3 13.601 2.237 -12.466 30 HG2 PRO 3 HG2 PRO 3 13.083 3.229 -10.016 31 HG3 PRO 3 HG3 PRO 3 13.107 4.210 -11.476 32 HD2 PRO 3 HD2 PRO 3 10.752 3.119 -10.011 33 HD3 PRO 3 HD3 PRO 3 11.033 4.693 -10.670 34 HA PRO 4 HA PRO 4 10.563 -1.954 -13.455 35 HB2 PRO 4 HB2 PRO 4 13.432 -2.348 -13.238 36 HB3 PRO 4 HB3 PRO 4 12.292 -3.055 -14.340 37 HG2 PRO 4 HG2 PRO 4 13.722 -1.235 -15.322 38 HG3 PRO 4 HG3 PRO 4 11.985 -1.016 -15.456 39 HD2 PRO 4 HD2 PRO 4 13.734 0.090 -13.396 40 HD3 PRO 4 HD3 PRO 4 12.704 0.928 -14.518 41 H GLY 5 H GLY 5 10.486 -3.720 -12.175 42 HA2 GLY 5 HA2 GLY 5 10.617 -4.911 -10.198 43 HA3 GLY 5 HA3 GLY 5 11.858 -3.777 -9.713 44 H TRP 6 H TRP 6 10.216 -1.408 -10.149 45 HA TRP 6 HA TRP 6 8.935 -1.261 -7.628 46 HB2 TRP 6 HB2 TRP 6 9.528 0.567 -9.842 47 HB3 TRP 6 HB3 TRP 6 8.176 0.979 -8.884 48 HD1 TRP 6 HD1 TRP 6 11.380 1.900 -9.368 49 HE1 TRP 6 HE1 TRP 6 12.578 2.833 -7.323 50 HE3 TRP 6 HE3 TRP 6 8.198 0.298 -5.947 51 HZ2 TRP 6 HZ2 TRP 6 12.127 2.839 -4.522 52 HZ3 TRP 6 HZ3 TRP 6 8.602 0.767 -3.623 53 HH2 TRP 6 HH2 TRP 6 10.445 2.008 -2.911 54 H GLU 7 H GLU 7 6.861 -1.872 -7.298 55 HA GLU 7 HA GLU 7 4.979 -1.336 -9.467 56 HB2 GLU 7 HB2 GLU 7 4.804 -3.885 -7.869 57 HB3 GLU 7 HB3 GLU 7 3.839 -3.404 -9.254 58 HG2 GLU 7 HG2 GLU 7 6.770 -3.639 -9.635 59 HG3 GLU 7 HG3 GLU 7 5.838 -5.124 -9.456 60 H LYS 8 H LYS 8 3.760 0.147 -8.686 61 HA LYS 8 HA LYS 8 3.415 0.902 -6.079 62 HB2 LYS 8 HB2 LYS 8 2.429 2.030 -8.266 63 HB3 LYS 8 HB3 LYS 8 1.046 0.957 -8.032 64 HG2 LYS 8 HG2 LYS 8 0.648 1.916 -5.808 65 HG3 LYS 8 HG3 LYS 8 2.014 3.005 -6.033 66 HD2 LYS 8 HD2 LYS 8 0.922 4.155 -7.797 67 HD3 LYS 8 HD3 LYS 8 -0.331 2.917 -7.919 68 HE2 LYS 8 HE2 LYS 8 -1.387 3.613 -5.974 69 HE3 LYS 8 HE3 LYS 8 0.053 4.429 -5.368 70 HZ1 LYS 8 HZ1 LYS 8 -0.257 6.014 -7.288 71 HZ2 LYS 8 HZ2 LYS 8 -1.405 6.114 -6.050 72 HZ3 LYS 8 HZ3 LYS 8 -1.792 5.333 -7.499 73 H ARG 9 H ARG 9 2.317 0.016 -4.326 74 HA ARG 9 HA ARG 9 0.357 -2.128 -4.823 75 HB2 ARG 9 HB2 ARG 9 2.898 -2.495 -3.738 76 HB3 ARG 9 HB3 ARG 9 1.834 -2.470 -2.339 77 HG2 ARG 9 HG2 ARG 9 1.977 -4.718 -2.947 78 HG3 ARG 9 HG3 ARG 9 0.421 -4.182 -3.582 79 HD2 ARG 9 HD2 ARG 9 1.708 -5.572 -5.189 80 HD3 ARG 9 HD3 ARG 9 1.363 -3.968 -5.801 81 HE ARG 9 HE ARG 9 3.563 -3.479 -5.725 82 HH11 ARG 9 HH11 ARG 9 3.054 -6.559 -4.112 83 HH12 ARG 9 HH12 ARG 9 4.684 -7.076 -4.381 84 HH21 ARG 9 HH21 ARG 9 5.515 -4.169 -6.117 85 HH22 ARG 9 HH22 ARG 9 6.137 -5.678 -5.537 86 H CYS 10 H CYS 10 -1.419 -2.212 -3.406 87 HA CYS 10 HA CYS 10 -1.465 -0.168 -1.294 88 HB2 CYS 10 HB2 CYS 10 -3.849 -0.597 -3.090 89 HB3 CYS 10 HB3 CYS 10 -3.595 0.677 -1.910 90 H PHE 11 H PHE 11 -2.154 -0.824 0.578 91 HA PHE 11 HA PHE 11 -4.040 -3.054 0.718 92 HB2 PHE 11 HB2 PHE 11 -2.870 -4.154 2.511 93 HB3 PHE 11 HB3 PHE 11 -1.706 -3.889 1.211 94 HD1 PHE 11 HD1 PHE 11 -2.864 -2.696 4.494 95 HD2 PHE 11 HD2 PHE 11 0.239 -2.586 1.586 96 HE1 PHE 11 HE1 PHE 11 -1.375 -1.595 6.122 97 HE2 PHE 11 HE2 PHE 11 1.725 -1.478 3.206 98 HZ PHE 11 HZ PHE 11 0.918 -0.982 5.476 99 H TYR 12 H TYR 12 -5.650 -2.734 2.179 100 HA TYR 12 HA TYR 12 -5.882 -0.166 3.461 101 HB2 TYR 12 HB2 TYR 12 -7.635 -2.549 3.083 102 HB3 TYR 12 HB3 TYR 12 -7.948 -1.577 4.515 103 HD1 TYR 12 HD2 TYR 12 -8.537 0.832 4.260 104 HD2 TYR 12 HD1 TYR 12 -8.202 -1.704 0.875 105 HE1 TYR 12 HE2 TYR 12 -9.794 2.391 3.003 106 HE2 TYR 12 HE1 TYR 12 -9.433 -0.119 -0.459 107 HH TYR 12 HH TYR 12 -11.136 1.745 -0.026 108 H PHE 13 H PHE 13 -5.735 0.218 5.709 109 HA PHE 13 HA PHE 13 -4.932 -2.119 7.369 110 HB2 PHE 13 HB2 PHE 13 -2.987 -0.548 6.692 111 HB3 PHE 13 HB3 PHE 13 -3.716 0.602 7.815 112 HD1 PHE 13 HD2 PHE 13 -2.076 -2.630 7.485 113 HD2 PHE 13 HD1 PHE 13 -3.691 0.181 10.230 114 HE1 PHE 13 HE2 PHE 13 -0.942 -3.771 9.315 115 HE2 PHE 13 HE1 PHE 13 -2.529 -0.908 12.067 116 HZ PHE 13 HZ PHE 13 -1.148 -2.916 11.627 117 H ASN 14 H ASN 14 -6.383 -2.352 8.874 118 HA ASN 14 HA ASN 14 -7.838 -0.045 9.799 119 HB2 ASN 14 HB2 ASN 14 -9.145 -1.857 11.114 120 HB3 ASN 14 HB3 ASN 14 -9.429 -1.684 9.414 121 HD21 ASN 14 HD21 ASN 14 -10.279 -3.904 10.427 122 HD22 ASN 14 HD22 ASN 14 -9.241 -5.228 10.035 123 H ARG 15 H ARG 15 -6.116 0.818 11.062 124 HA ARG 15 HA ARG 15 -4.519 -0.550 12.772 125 HB2 ARG 15 HB2 ARG 15 -3.800 1.554 12.504 126 HB3 ARG 15 HB3 ARG 15 -5.408 2.270 12.659 127 HG2 ARG 15 HG2 ARG 15 -5.348 1.859 15.067 128 HG3 ARG 15 HG3 ARG 15 -3.729 1.182 14.905 129 HD2 ARG 15 HD2 ARG 15 -3.165 3.319 15.481 130 HD3 ARG 15 HD3 ARG 15 -3.285 3.536 13.736 131 HE ARG 15 HE ARG 15 -5.135 4.849 14.053 132 HH11 ARG 15 HH11 ARG 15 -4.450 3.141 17.035 133 HH12 ARG 15 HH12 ARG 15 -5.606 4.041 17.958 134 HH21 ARG 15 HH21 ARG 15 -6.656 6.027 15.276 135 HH22 ARG 15 HH22 ARG 15 -6.858 5.678 16.960 136 H ILE 16 H ILE 16 -7.947 -0.350 13.220 137 HA ILE 16 HA ILE 16 -8.046 -0.416 16.000 138 HB ILE 16 HB ILE 16 -9.826 -1.366 13.829 139 HG12 ILE 16 HG12 ILE 16 -10.570 0.708 13.902 140 HG13 ILE 16 HG13 ILE 16 -10.974 0.510 15.571 141 HG21 ILE 16 HG21 ILE 16 -11.413 -1.806 15.672 142 HG22 ILE 16 HG22 ILE 16 -10.072 -1.507 16.791 143 HG23 ILE 16 HG23 ILE 16 -9.983 -2.863 15.657 144 HD11 ILE 16 HD11 ILE 16 -9.342 1.864 16.243 145 HD12 ILE 16 HD12 ILE 16 -9.341 2.405 14.560 146 HD13 ILE 16 HD13 ILE 16 -8.186 1.184 15.099 147 H THR 17 H THR 17 -8.221 -2.758 13.456 148 HA THR 17 HA THR 17 -7.479 -4.880 15.215 149 HB THR 17 HB THR 17 -8.679 -6.339 13.963 150 HG1 THR 17 HG1 THR 17 -7.544 -5.778 11.999 151 HG21 THR 17 HG21 THR 17 -10.790 -5.363 13.523 152 HG22 THR 17 HG22 THR 17 -10.065 -3.748 13.327 153 HG23 THR 17 HG23 THR 17 -10.056 -4.544 14.905 154 H GLY 18 H GLY 18 -5.978 -2.710 13.861 155 HA2 GLY 18 HA2 GLY 18 -4.264 -2.370 12.376 156 HA3 GLY 18 HA3 GLY 18 -3.475 -3.459 13.475 157 H LYS 19 H LYS 19 -6.151 -4.291 11.358 158 HA LYS 19 HA LYS 19 -4.589 -6.395 10.199 159 HB2 LYS 19 HB2 LYS 19 -7.385 -5.617 10.317 160 HB3 LYS 19 HB3 LYS 19 -6.869 -6.509 8.884 161 HG2 LYS 19 HG2 LYS 19 -5.823 -8.115 10.464 162 HG3 LYS 19 HG3 LYS 19 -6.750 -7.288 11.745 163 HD2 LYS 19 HD2 LYS 19 -8.599 -8.418 11.189 164 HD3 LYS 19 HD3 LYS 19 -8.449 -7.921 9.503 165 HE2 LYS 19 HE2 LYS 19 -8.051 -10.058 9.020 166 HE3 LYS 19 HE3 LYS 19 -6.491 -9.861 9.817 167 HZ1 LYS 19 HZ1 LYS 19 -8.989 -10.713 11.180 168 HZ2 LYS 19 HZ2 LYS 19 -7.449 -10.620 11.873 169 HZ3 LYS 19 HZ3 LYS 19 -7.765 -11.762 10.665 170 H ARG 20 H ARG 20 -4.477 -6.827 7.970 171 HA ARG 20 HA ARG 20 -4.630 -4.453 6.297 172 HB2 ARG 20 HB2 ARG 20 -2.553 -4.882 5.237 173 HB3 ARG 20 HB3 ARG 20 -2.317 -4.872 7.007 174 HG2 ARG 20 HG2 ARG 20 -1.398 -6.881 6.933 175 HG3 ARG 20 HG3 ARG 20 -2.841 -7.543 6.167 176 HD2 ARG 20 HD2 ARG 20 -1.025 -7.993 4.711 177 HD3 ARG 20 HD3 ARG 20 -1.947 -6.681 3.980 178 HE ARG 20 HE ARG 20 -0.132 -5.262 5.227 179 HH11 ARG 20 HH11 ARG 20 0.348 -8.267 3.486 180 HH12 ARG 20 HH12 ARG 20 1.979 -7.890 3.046 181 HH21 ARG 20 HH21 ARG 20 2.014 -4.776 4.639 182 HH22 ARG 20 HH22 ARG 20 2.924 -5.910 3.698 183 H GLN 21 H GLN 21 -5.294 -4.659 4.314 184 HA GLN 21 HA GLN 21 -5.520 -7.240 3.053 185 HB2 GLN 21 HB2 GLN 21 -8.026 -6.075 2.756 186 HB3 GLN 21 HB3 GLN 21 -7.652 -7.596 3.501 187 HG2 GLN 21 HG2 GLN 21 -7.199 -6.230 5.586 188 HG3 GLN 21 HG3 GLN 21 -7.935 -4.911 4.733 189 HE21 GLN 21 HE21 GLN 21 -10.125 -5.474 3.798 190 HE22 GLN 21 HE22 GLN 21 -11.157 -6.372 4.830 191 H PHE 22 H PHE 22 -5.693 -6.995 0.769 192 HA PHE 22 HA PHE 22 -5.130 -4.304 -0.194 193 HB2 PHE 22 HB2 PHE 22 -5.256 -7.022 -1.457 194 HB3 PHE 22 HB3 PHE 22 -5.363 -5.601 -2.480 195 HD1 PHE 22 HD1 PHE 22 -3.311 -5.903 0.581 196 HD2 PHE 22 HD2 PHE 22 -3.333 -5.801 -3.660 197 HE1 PHE 22 HE1 PHE 22 -0.874 -5.720 0.578 198 HE2 PHE 22 HE2 PHE 22 -0.898 -5.618 -3.673 199 HZ PHE 22 HZ PHE 22 0.316 -5.578 -1.552 200 H GLU 23 H GLU 23 -7.602 -4.543 1.057 201 HA GLU 23 HA GLU 23 -9.561 -3.982 -1.025 202 HB2 GLU 23 HB2 GLU 23 -10.538 -5.946 -0.591 203 HB3 GLU 23 HB3 GLU 23 -9.409 -6.259 0.736 204 HG2 GLU 23 HG2 GLU 23 -10.825 -4.871 2.222 205 HG3 GLU 23 HG3 GLU 23 -11.974 -4.697 0.898 206 H ARG 24 H ARG 24 -11.358 -2.942 -0.401 207 HA ARG 24 HA ARG 24 -11.178 -1.427 2.086 208 HB2 ARG 24 HB2 ARG 24 -11.462 -0.145 0.016 209 HB3 ARG 24 HB3 ARG 24 -12.954 -1.019 -0.323 210 HG2 ARG 24 HG2 ARG 24 -13.715 -0.231 1.937 211 HG3 ARG 24 HG3 ARG 24 -12.368 0.919 1.863 212 HD2 ARG 24 HD2 ARG 24 -13.275 2.041 0.051 213 HD3 ARG 24 HD3 ARG 24 -14.285 0.673 -0.413 214 HE ARG 24 HE ARG 24 -14.891 2.752 1.473 215 HH11 ARG 24 HH11 ARG 24 -15.637 -0.530 0.499 216 HH12 ARG 24 HH12 ARG 24 -17.217 -0.515 1.205 217 HH21 ARG 24 HH21 ARG 24 -16.989 2.762 2.401 218 HH22 ARG 24 HH22 ARG 24 -17.983 1.350 2.284 219 HA PRO 25 HA PRO 25 -13.320 -5.027 3.527 220 HB2 PRO 25 HB2 PRO 25 -13.661 -3.414 5.851 221 HB3 PRO 25 HB3 PRO 25 -12.911 -4.967 5.653 222 HG2 PRO 25 HG2 PRO 25 -11.506 -2.685 5.981 223 HG3 PRO 25 HG3 PRO 25 -10.893 -4.060 5.175 224 HD2 PRO 25 HD2 PRO 25 -11.640 -1.519 4.021 225 HD3 PRO 25 HD3 PRO 25 -10.633 -2.835 3.404 226 H SER 26 H SER 26 -15.155 -5.762 3.768 227 HA SER 26 HA SER 26 -17.392 -4.753 2.689 228 HB2 SER 26 HB2 SER 26 -17.091 -7.075 3.092 229 HB3 SER 26 HB3 SER 26 -17.123 -6.766 4.834 230 HG SER 26 HG SER 26 -19.232 -6.758 4.769 231 H ASP 27 H ASP 27 -16.343 -4.649 5.851 232 HA ASP 27 HA ASP 27 -16.824 -3.247 7.567 233 HB2 ASP 27 HB2 ASP 27 -17.244 -1.305 6.724 234 HB3 ASP 27 HB3 ASP 27 -17.837 -2.053 5.246 235 H1 LYS 1 H1 LYS 1 -15.866 6.408 4.516 236 H2 LYS 1 H2 LYS 1 -17.258 5.525 4.038 237 H3 LYS 1 H3 LYS 1 -16.432 6.510 2.902 238 HA LYS 1 HA LYS 1 -15.848 4.316 2.446 239 HB2 LYS 1 HB2 LYS 1 -13.693 5.710 4.060 240 HB3 LYS 1 HB3 LYS 1 -13.401 4.383 2.950 241 HG2 LYS 1 HG2 LYS 1 -13.850 5.703 1.068 242 HG3 LYS 1 HG3 LYS 1 -14.658 6.952 2.026 243 HD2 LYS 1 HD2 LYS 1 -12.593 7.650 2.982 244 HD3 LYS 1 HD3 LYS 1 -11.741 6.265 2.303 245 HE2 LYS 1 HE2 LYS 1 -13.011 8.500 0.737 246 HE3 LYS 1 HE3 LYS 1 -11.290 8.318 1.062 247 HZ1 LYS 1 HZ1 LYS 1 -11.538 6.073 -0.086 248 HZ2 LYS 1 HZ2 LYS 1 -11.578 7.452 -1.064 249 HZ3 LYS 1 HZ3 LYS 1 -13.017 6.657 -0.667 250 H LEU 2 H LEU 2 -14.234 2.561 3.333 251 HA LEU 2 HA LEU 2 -15.469 0.854 4.902 252 HB2 LEU 2 HB2 LEU 2 -13.518 -0.394 5.048 253 HB3 LEU 2 HB3 LEU 2 -13.406 0.518 3.568 254 HG LEU 2 HG LEU 2 -12.011 1.069 6.130 255 HD11 LEU 2 HD11 LEU 2 -10.109 1.064 4.424 256 HD12 LEU 2 HD12 LEU 2 -11.251 0.158 3.422 257 HD13 LEU 2 HD13 LEU 2 -10.743 -0.498 4.983 258 HD21 LEU 2 HD21 LEU 2 -11.039 2.926 5.019 259 HD22 LEU 2 HD22 LEU 2 -12.815 3.049 5.150 260 HD23 LEU 2 HD23 LEU 2 -12.037 2.589 3.608 261 HA PRO 3 HA PRO 3 -15.790 1.070 9.204 262 HB2 PRO 3 HB2 PRO 3 -13.733 -0.993 9.377 263 HB3 PRO 3 HB3 PRO 3 -15.351 -0.956 10.055 264 HG2 PRO 3 HG2 PRO 3 -14.762 -2.364 7.847 265 HG3 PRO 3 HG3 PRO 3 -16.339 -1.620 8.095 266 HD2 PRO 3 HD2 PRO 3 -14.160 -0.860 6.264 267 HD3 PRO 3 HD3 PRO 3 -15.872 -0.539 6.147 268 HA PRO 4 HA PRO 4 -12.982 3.442 11.501 269 HB2 PRO 4 HB2 PRO 4 -13.498 1.375 13.482 270 HB3 PRO 4 HB3 PRO 4 -13.508 3.104 13.645 271 HG2 PRO 4 HG2 PRO 4 -15.783 2.051 13.457 272 HG3 PRO 4 HG3 PRO 4 -15.413 3.297 12.278 273 HD2 PRO 4 HD2 PRO 4 -15.178 0.410 11.931 274 HD3 PRO 4 HD3 PRO 4 -16.076 1.566 10.988 275 H GLY 5 H GLY 5 -11.003 3.602 12.189 276 HA2 GLY 5 HA2 GLY 5 -8.814 3.032 12.564 277 HA3 GLY 5 HA3 GLY 5 -9.358 1.375 12.659 278 H TRP 6 H TRP 6 -10.607 1.690 9.856 279 HA TRP 6 HA TRP 6 -8.381 0.717 8.420 280 HB2 TRP 6 HB2 TRP 6 -11.208 1.294 7.775 281 HB3 TRP 6 HB3 TRP 6 -10.102 1.092 6.483 282 HD1 TRP 6 HD1 TRP 6 -12.547 -0.621 8.082 283 HE1 TRP 6 HE1 TRP 6 -12.256 -3.162 8.170 284 HE3 TRP 6 HE3 TRP 6 -7.827 -0.824 6.609 285 HZ2 TRP 6 HZ2 TRP 6 -10.163 -5.026 7.578 286 HZ3 TRP 6 HZ3 TRP 6 -6.724 -2.949 6.339 287 HH2 TRP 6 HH2 TRP 6 -7.826 -4.975 6.755 288 H GLU 7 H GLU 7 -7.415 1.587 6.634 289 HA GLU 7 HA GLU 7 -8.106 4.105 5.571 290 HB2 GLU 7 HB2 GLU 7 -5.870 5.182 6.067 291 HB3 GLU 7 HB3 GLU 7 -7.052 5.176 7.365 292 HG2 GLU 7 HG2 GLU 7 -5.901 3.433 8.514 293 HG3 GLU 7 HG3 GLU 7 -4.833 3.156 7.139 294 H LYS 8 H LYS 8 -7.969 3.468 3.612 295 HA LYS 8 HA LYS 8 -6.449 1.461 2.526 296 HB2 LYS 8 HB2 LYS 8 -8.307 2.981 1.366 297 HB3 LYS 8 HB3 LYS 8 -6.954 4.031 0.932 298 HG2 LYS 8 HG2 LYS 8 -5.877 2.209 -0.279 299 HG3 LYS 8 HG3 LYS 8 -7.188 1.120 0.169 300 HD2 LYS 8 HD2 LYS 8 -8.714 2.891 -0.953 301 HD3 LYS 8 HD3 LYS 8 -7.222 3.453 -1.708 302 HE2 LYS 8 HE2 LYS 8 -7.327 1.819 -3.207 303 HE3 LYS 8 HE3 LYS 8 -7.357 0.610 -1.925 304 HZ1 LYS 8 HZ1 LYS 8 -9.369 0.157 -2.761 305 HZ2 LYS 8 HZ2 LYS 8 -9.525 1.655 -3.528 306 HZ3 LYS 8 HZ3 LYS 8 -9.883 1.508 -1.882 307 H ARG 9 H ARG 9 -4.285 1.242 1.996 308 HA ARG 9 HA ARG 9 -2.594 3.668 2.008 309 HB2 ARG 9 HB2 ARG 9 -1.571 0.963 2.846 310 HB3 ARG 9 HB3 ARG 9 -0.856 2.542 3.139 311 HG2 ARG 9 HG2 ARG 9 -3.442 1.627 4.374 312 HG3 ARG 9 HG3 ARG 9 -1.864 1.442 5.139 313 HD2 ARG 9 HD2 ARG 9 -3.147 4.048 4.332 314 HD3 ARG 9 HD3 ARG 9 -2.968 3.446 5.966 315 HE ARG 9 HE ARG 9 -0.949 4.561 4.267 316 HH11 ARG 9 HH11 ARG 9 -1.662 2.875 7.269 317 HH12 ARG 9 HH12 ARG 9 -0.310 3.577 8.092 318 HH21 ARG 9 HH21 ARG 9 0.638 5.459 5.311 319 HH22 ARG 9 HH22 ARG 9 1.054 5.078 6.950 320 H CYS 10 H CYS 10 -0.778 3.686 0.563 321 HA CYS 10 HA CYS 10 -0.642 1.485 -1.363 322 HB2 CYS 10 HB2 CYS 10 -0.893 4.348 -2.282 323 HB3 CYS 10 HB3 CYS 10 -0.685 2.934 -3.297 324 H PHE 11 H PHE 11 1.381 0.861 -0.753 325 HA PHE 11 HA PHE 11 3.506 2.876 -0.964 326 HB2 PHE 11 HB2 PHE 11 4.935 1.469 0.372 327 HB3 PHE 11 HB3 PHE 11 3.370 1.543 1.183 328 HD1 PHE 11 HD1 PHE 11 5.552 -0.527 -0.963 329 HD2 PHE 11 HD2 PHE 11 2.137 -0.447 1.599 330 HE1 PHE 11 HE1 PHE 11 5.519 -2.998 -0.929 331 HE2 PHE 11 HE2 PHE 11 2.096 -2.917 1.624 332 HZ PHE 11 HZ PHE 11 3.787 -4.193 0.359 333 H TYR 12 H TYR 12 5.023 2.701 -2.541 334 HA TYR 12 HA TYR 12 4.651 0.787 -4.663 335 HB2 TYR 12 HB2 TYR 12 6.360 3.179 -4.215 336 HB3 TYR 12 HB3 TYR 12 7.049 1.941 -5.254 337 HD1 TYR 12 HD1 TYR 12 5.967 1.377 -7.417 338 HD2 TYR 12 HD2 TYR 12 4.365 4.425 -4.911 339 HE1 TYR 12 HE1 TYR 12 4.660 2.151 -9.245 340 HE2 TYR 12 HE2 TYR 12 3.004 5.230 -6.739 341 HH TYR 12 HH TYR 12 2.167 3.626 -9.262 342 H PHE 13 H PHE 13 6.081 -0.945 -5.129 343 HA PHE 13 HA PHE 13 8.121 -1.420 -3.028 344 HB2 PHE 13 HB2 PHE 13 6.053 -2.933 -2.858 345 HB3 PHE 13 HB3 PHE 13 6.628 -3.683 -4.349 346 HD1 PHE 13 HD2 PHE 13 7.607 -2.872 -0.891 347 HD2 PHE 13 HD1 PHE 13 8.370 -5.308 -4.284 348 HE1 PHE 13 HE2 PHE 13 9.094 -4.269 0.459 349 HE2 PHE 13 HE1 PHE 13 9.852 -6.738 -2.966 350 HZ PHE 13 HZ PHE 13 10.227 -6.224 -0.565 351 H ASN 14 H ASN 14 10.002 -1.378 -3.843 352 HA ASN 14 HA ASN 14 10.339 -1.817 -6.669 353 HB2 ASN 14 HB2 ASN 14 11.464 0.101 -5.501 354 HB3 ASN 14 HB3 ASN 14 12.457 -1.025 -4.687 355 HD21 ASN 14 HD21 ASN 14 11.401 -0.945 -8.009 356 HD22 ASN 14 HD22 ASN 14 12.974 -0.905 -8.709 357 H ARG 15 H ARG 15 9.711 -4.106 -6.286 358 HA ARG 15 HA ARG 15 10.918 -5.910 -4.700 359 HB2 ARG 15 HB2 ARG 15 9.363 -7.078 -5.736 360 HB3 ARG 15 HB3 ARG 15 9.448 -6.100 -7.197 361 HG2 ARG 15 HG2 ARG 15 10.670 -7.617 -8.274 362 HG3 ARG 15 HG3 ARG 15 11.723 -7.895 -6.889 363 HD2 ARG 15 HD2 ARG 15 8.935 -9.015 -7.146 364 HD3 ARG 15 HD3 ARG 15 10.399 -9.898 -7.582 365 HE ARG 15 HE ARG 15 9.396 -9.388 -4.933 366 HH11 ARG 15 HH11 ARG 15 12.253 -10.158 -6.810 367 HH12 ARG 15 HH12 ARG 15 13.091 -10.862 -5.470 368 HH21 ARG 15 HH21 ARG 15 10.508 -10.317 -3.174 369 HH22 ARG 15 HH22 ARG 15 12.102 -10.954 -3.406 370 H ILE 16 H ILE 16 12.630 -4.276 -7.289 371 HA ILE 16 HA ILE 16 14.618 -6.134 -7.749 372 HB ILE 16 HB ILE 16 14.533 -3.172 -7.816 373 HG12 ILE 16 HG12 ILE 16 13.558 -3.552 -9.769 374 HG13 ILE 16 HG13 ILE 16 15.032 -4.274 -10.301 375 HG21 ILE 16 HG21 ILE 16 16.716 -3.421 -8.960 376 HG22 ILE 16 HG22 ILE 16 16.671 -5.128 -8.488 377 HG23 ILE 16 HG23 ILE 16 16.712 -3.873 -7.240 378 HD11 ILE 16 HD11 ILE 16 12.700 -5.473 -10.531 379 HD12 ILE 16 HD12 ILE 16 13.119 -6.010 -8.895 380 HD13 ILE 16 HD13 ILE 16 14.198 -6.369 -10.240 381 H THR 17 H THR 17 14.220 -3.423 -5.653 382 HA THR 17 HA THR 17 16.371 -4.239 -3.965 383 HB THR 17 HB THR 17 16.731 -2.010 -3.430 384 HG1 THR 17 HG1 THR 17 14.416 -1.572 -3.184 385 HG21 THR 17 HG21 THR 17 15.842 -2.101 -6.300 386 HG22 THR 17 HG22 THR 17 17.360 -2.750 -5.664 387 HG23 THR 17 HG23 THR 17 17.052 -1.010 -5.575 388 H GLY 18 H GLY 18 13.541 -5.084 -4.163 389 HA2 GLY 18 HA2 GLY 18 11.611 -5.250 -2.941 390 HA3 GLY 18 HA3 GLY 18 12.691 -5.838 -1.722 391 H LYS 19 H LYS 19 12.840 -2.628 -2.934 392 HA LYS 19 HA LYS 19 12.603 -1.358 -0.446 393 HB2 LYS 19 HB2 LYS 19 12.993 -0.613 -3.219 394 HB3 LYS 19 HB3 LYS 19 12.195 0.593 -2.212 395 HG2 LYS 19 HG2 LYS 19 14.021 0.441 -0.638 396 HG3 LYS 19 HG3 LYS 19 14.840 -0.704 -1.734 397 HD2 LYS 19 HD2 LYS 19 15.582 0.962 -3.037 398 HD3 LYS 19 HD3 LYS 19 13.998 1.738 -3.077 399 HE2 LYS 19 HE2 LYS 19 14.928 2.193 -0.499 400 HE3 LYS 19 HE3 LYS 19 16.351 2.398 -1.519 401 HZ1 LYS 19 HZ1 LYS 19 15.220 4.484 -1.292 402 HZ2 LYS 19 HZ2 LYS 19 13.755 3.813 -1.805 403 HZ3 LYS 19 HZ3 LYS 19 15.046 3.952 -2.889 404 H ARG 20 H ARG 20 11.118 0.284 0.138 405 HA ARG 20 HA ARG 20 8.550 0.224 -1.159 406 HB2 ARG 20 HB2 ARG 20 7.257 -0.170 0.758 407 HB3 ARG 20 HB3 ARG 20 8.525 -1.428 0.677 408 HG2 ARG 20 HG2 ARG 20 9.275 -0.901 2.693 409 HG3 ARG 20 HG3 ARG 20 9.426 0.799 2.253 410 HD2 ARG 20 HD2 ARG 20 6.878 -0.552 3.134 411 HD3 ARG 20 HD3 ARG 20 7.909 0.436 4.166 412 HE ARG 20 HE ARG 20 6.175 1.367 2.010 413 HH11 ARG 20 HH11 ARG 20 8.544 2.161 4.470 414 HH12 ARG 20 HH12 ARG 20 8.171 3.850 4.452 415 HH21 ARG 20 HH21 ARG 20 5.695 3.591 1.994 416 HH22 ARG 20 HH22 ARG 20 6.556 4.663 3.047 417 H GLN 21 H GLN 21 7.464 2.001 -1.183 418 HA GLN 21 HA GLN 21 7.960 4.166 0.641 419 HB2 GLN 21 HB2 GLN 21 8.153 5.346 -1.859 420 HB3 GLN 21 HB3 GLN 21 9.363 5.320 -0.617 421 HG2 GLN 21 HG2 GLN 21 10.030 3.090 -1.557 422 HG3 GLN 21 HG3 GLN 21 8.960 3.442 -2.878 423 HE21 GLN 21 HE21 GLN 21 9.373 5.662 -3.859 424 HE22 GLN 21 HE22 GLN 21 11.021 6.036 -4.139 425 H PHE 22 H PHE 22 6.187 5.687 0.546 426 HA PHE 22 HA PHE 22 3.845 4.628 -0.805 427 HB2 PHE 22 HB2 PHE 22 4.318 7.083 0.891 428 HB3 PHE 22 HB3 PHE 22 2.755 6.706 0.181 429 HD1 PHE 22 HD2 PHE 22 2.173 4.021 0.642 430 HD2 PHE 22 HD1 PHE 22 4.444 6.615 3.137 431 HE1 PHE 22 HE2 PHE 22 1.643 2.613 2.575 432 HE2 PHE 22 HE1 PHE 22 3.920 5.213 5.078 433 HZ PHE 22 HZ PHE 22 2.521 3.220 4.783 434 H GLU 23 H GLU 23 5.930 5.373 -2.549 435 HA GLU 23 HA GLU 23 4.765 7.501 -4.167 436 HB2 GLU 23 HB2 GLU 23 6.439 8.835 -3.533 437 HB3 GLU 23 HB3 GLU 23 7.236 7.511 -2.670 438 HG2 GLU 23 HG2 GLU 23 8.282 6.767 -4.738 439 HG3 GLU 23 HG3 GLU 23 7.467 8.055 -5.620 440 H ARG 24 H ARG 24 5.402 7.604 -6.233 441 HA ARG 24 HA ARG 24 6.488 5.152 -7.432 442 HB2 ARG 24 HB2 ARG 24 4.344 5.953 -8.314 443 HB3 ARG 24 HB3 ARG 24 5.041 7.537 -8.618 444 HG2 ARG 24 HG2 ARG 24 6.518 6.612 -10.231 445 HG3 ARG 24 HG3 ARG 24 5.911 4.981 -9.909 446 HD2 ARG 24 HD2 ARG 24 3.620 5.895 -10.495 447 HD3 ARG 24 HD3 ARG 24 4.456 7.300 -11.140 448 HE ARG 24 HE ARG 24 5.094 6.078 -12.944 449 HH11 ARG 24 HH11 ARG 24 3.880 3.857 -10.546 450 HH12 ARG 24 HH12 ARG 24 3.909 2.496 -11.610 451 HH21 ARG 24 HH21 ARG 24 5.122 4.285 -14.351 452 HH22 ARG 24 HH22 ARG 24 4.613 2.738 -13.767 453 HA PRO 25 HA PRO 25 10.241 7.451 -6.608 454 HB2 PRO 25 HB2 PRO 25 11.423 5.251 -8.005 455 HB3 PRO 25 HB3 PRO 25 11.705 5.862 -6.400 456 HG2 PRO 25 HG2 PRO 25 10.332 3.625 -6.865 457 HG3 PRO 25 HG3 PRO 25 10.055 4.600 -5.501 458 HD2 PRO 25 HD2 PRO 25 8.350 4.263 -7.844 459 HD3 PRO 25 HD3 PRO 25 7.976 4.749 -6.190 460 H SER 26 H SER 26 11.603 8.646 -7.523 461 HA SER 26 HA SER 26 11.175 10.007 -9.767 462 HB2 SER 26 HB2 SER 26 12.711 10.737 -8.111 463 HB3 SER 26 HB3 SER 26 13.775 9.379 -8.505 464 HG SER 26 HG SER 26 14.531 10.470 -10.154 465 H ASP 27 H ASP 27 12.973 7.222 -9.371 466 HA ASP 27 HA ASP 27 13.587 5.579 -10.798 467 HB2 ASP 27 HB2 ASP 27 11.903 5.330 -12.124 468 HB3 ASP 27 HB3 ASP 27 11.528 7.046 -12.036 Start of MODEL 4 1 H1 LYS 1 H1 LYS 1 5.759 5.132 -16.706 2 H2 LYS 1 H2 LYS 1 4.326 4.192 -16.626 3 H3 LYS 1 H3 LYS 1 5.861 3.426 -16.578 4 HA LYS 1 HA LYS 1 4.948 5.362 -14.567 5 HB2 LYS 1 HB2 LYS 1 4.394 3.414 -13.170 6 HB3 LYS 1 HB3 LYS 1 3.397 3.487 -14.615 7 HG2 LYS 1 HG2 LYS 1 5.554 1.913 -15.362 8 HG3 LYS 1 HG3 LYS 1 5.196 1.414 -13.708 9 HD2 LYS 1 HD2 LYS 1 3.061 0.703 -14.247 10 HD3 LYS 1 HD3 LYS 1 2.969 1.733 -15.674 11 HE2 LYS 1 HE2 LYS 1 3.159 -0.598 -16.301 12 HE3 LYS 1 HE3 LYS 1 4.579 0.308 -16.815 13 HZ1 LYS 1 HZ1 LYS 1 4.515 -1.241 -14.290 14 HZ2 LYS 1 HZ2 LYS 1 5.866 -0.634 -15.106 15 HZ3 LYS 1 HZ3 LYS 1 4.995 -1.927 -15.760 16 H LEU 2 H LEU 2 6.048 4.578 -12.417 17 HA LEU 2 HA LEU 2 8.599 5.207 -12.380 18 HB2 LEU 2 HB2 LEU 2 8.728 4.472 -10.189 19 HB3 LEU 2 HB3 LEU 2 7.056 4.872 -10.469 20 HG LEU 2 HG LEU 2 8.267 2.164 -10.341 21 HD11 LEU 2 HD11 LEU 2 6.294 1.991 -8.720 22 HD12 LEU 2 HD12 LEU 2 6.380 3.761 -8.715 23 HD13 LEU 2 HD13 LEU 2 7.770 2.818 -8.165 24 HD21 LEU 2 HD21 LEU 2 6.712 2.402 -12.126 25 HD22 LEU 2 HD22 LEU 2 5.487 2.943 -10.929 26 HD23 LEU 2 HD23 LEU 2 6.143 1.311 -10.845 27 HA PRO 3 HA PRO 3 11.884 2.653 -13.561 28 HB2 PRO 3 HB2 PRO 3 12.494 2.303 -10.730 29 HB3 PRO 3 HB3 PRO 3 13.502 2.902 -12.039 30 HG2 PRO 3 HG2 PRO 3 12.388 4.546 -10.258 31 HG3 PRO 3 HG3 PRO 3 12.630 5.014 -11.937 32 HD2 PRO 3 HD2 PRO 3 10.146 4.300 -10.509 33 HD3 PRO 3 HD3 PRO 3 10.383 5.346 -11.883 34 HA PRO 4 HA PRO 4 11.504 -1.682 -13.517 35 HB2 PRO 4 HB2 PRO 4 14.316 -1.482 -12.788 36 HB3 PRO 4 HB3 PRO 4 13.542 -2.483 -13.980 37 HG2 PRO 4 HG2 PRO 4 14.675 -0.446 -14.909 38 HG3 PRO 4 HG3 PRO 4 12.969 -0.606 -15.286 39 HD2 PRO 4 HD2 PRO 4 14.166 0.959 -13.134 40 HD3 PRO 4 HD3 PRO 4 13.100 1.476 -14.411 41 H GLY 5 H GLY 5 11.365 -3.421 -12.291 42 HA2 GLY 5 HA2 GLY 5 11.206 -4.662 -10.374 43 HA3 GLY 5 HA3 GLY 5 12.361 -3.547 -9.687 44 H TRP 6 H TRP 6 10.247 -1.323 -10.466 45 HA TRP 6 HA TRP 6 9.059 -1.275 -7.888 46 HB2 TRP 6 HB2 TRP 6 9.133 0.537 -10.207 47 HB3 TRP 6 HB3 TRP 6 7.872 0.748 -9.065 48 HD1 TRP 6 HD1 TRP 6 10.803 2.172 -9.945 49 HE1 TRP 6 HE1 TRP 6 12.140 3.216 -8.036 50 HE3 TRP 6 HE3 TRP 6 8.299 0.188 -6.138 51 HZ2 TRP 6 HZ2 TRP 6 12.035 3.211 -5.214 52 HZ3 TRP 6 HZ3 TRP 6 8.907 0.756 -3.874 53 HH2 TRP 6 HH2 TRP 6 10.670 2.219 -3.410 54 H GLU 7 H GLU 7 6.957 -1.459 -7.362 55 HA GLU 7 HA GLU 7 4.942 -1.590 -9.394 56 HB2 GLU 7 HB2 GLU 7 5.335 -3.989 -7.599 57 HB3 GLU 7 HB3 GLU 7 3.977 -3.714 -8.678 58 HG2 GLU 7 HG2 GLU 7 6.747 -3.795 -9.786 59 HG3 GLU 7 HG3 GLU 7 5.921 -5.294 -9.379 60 H LYS 8 H LYS 8 3.706 -0.103 -8.609 61 HA LYS 8 HA LYS 8 3.455 0.750 -6.001 62 HB2 LYS 8 HB2 LYS 8 2.365 1.820 -8.154 63 HB3 LYS 8 HB3 LYS 8 1.070 0.648 -7.945 64 HG2 LYS 8 HG2 LYS 8 0.977 3.144 -6.936 65 HG3 LYS 8 HG3 LYS 8 0.104 1.776 -6.249 66 HD2 LYS 8 HD2 LYS 8 1.496 1.626 -4.441 67 HD3 LYS 8 HD3 LYS 8 2.861 2.358 -5.282 68 HE2 LYS 8 HE2 LYS 8 1.361 4.477 -5.325 69 HE3 LYS 8 HE3 LYS 8 0.465 3.664 -4.047 70 HZ1 LYS 8 HZ1 LYS 8 2.848 5.125 -3.844 71 HZ2 LYS 8 HZ2 LYS 8 3.181 3.526 -3.409 72 HZ3 LYS 8 HZ3 LYS 8 1.964 4.382 -2.610 73 H ARG 9 H ARG 9 2.196 0.066 -4.233 74 HA ARG 9 HA ARG 9 0.366 -2.208 -4.560 75 HB2 ARG 9 HB2 ARG 9 2.699 -2.975 -3.888 76 HB3 ARG 9 HB3 ARG 9 2.447 -2.128 -2.370 77 HG2 ARG 9 HG2 ARG 9 1.388 -3.881 -1.538 78 HG3 ARG 9 HG3 ARG 9 0.203 -3.817 -2.842 79 HD2 ARG 9 HD2 ARG 9 1.497 -5.991 -2.583 80 HD3 ARG 9 HD3 ARG 9 1.471 -5.294 -4.188 81 HE ARG 9 HE ARG 9 3.702 -5.381 -2.354 82 HH11 ARG 9 HH11 ARG 9 2.472 -4.494 -5.525 83 HH12 ARG 9 HH12 ARG 9 4.010 -4.710 -6.287 84 HH21 ARG 9 HH21 ARG 9 5.550 -5.728 -3.332 85 HH22 ARG 9 HH22 ARG 9 5.819 -5.408 -5.013 86 H CYS 10 H CYS 10 -1.121 -2.485 -2.683 87 HA CYS 10 HA CYS 10 -1.156 -0.384 -0.700 88 HB2 CYS 10 HB2 CYS 10 -2.168 0.754 -2.663 89 HB3 CYS 10 HB3 CYS 10 -3.421 -0.476 -2.705 90 H PHE 11 H PHE 11 -1.640 -1.339 1.094 91 HA PHE 11 HA PHE 11 -3.769 -3.370 1.102 92 HB2 PHE 11 HB2 PHE 11 -2.705 -4.481 2.992 93 HB3 PHE 11 HB3 PHE 11 -1.500 -4.281 1.713 94 HD1 PHE 11 HD2 PHE 11 -2.715 -2.971 4.925 95 HD2 PHE 11 HD1 PHE 11 0.478 -3.029 2.114 96 HE1 PHE 11 HE2 PHE 11 -1.248 -1.861 6.570 97 HE2 PHE 11 HE1 PHE 11 1.947 -1.918 3.748 98 HZ PHE 11 HZ PHE 11 1.084 -1.332 5.979 99 H TYR 12 H TYR 12 -5.440 -3.041 2.523 100 HA TYR 12 HA TYR 12 -5.619 -0.470 3.836 101 HB2 TYR 12 HB2 TYR 12 -7.518 -2.724 3.281 102 HB3 TYR 12 HB3 TYR 12 -7.878 -1.679 4.651 103 HD1 TYR 12 HD1 TYR 12 -8.444 0.707 4.290 104 HD2 TYR 12 HD2 TYR 12 -7.585 -1.839 0.989 105 HE1 TYR 12 HE1 TYR 12 -9.294 2.330 2.803 106 HE2 TYR 12 HE2 TYR 12 -8.465 -0.205 -0.531 107 HH TYR 12 HH TYR 12 -9.346 3.018 0.550 108 H PHE 13 H PHE 13 -5.592 -0.188 6.100 109 HA PHE 13 HA PHE 13 -5.059 -2.645 7.697 110 HB2 PHE 13 HB2 PHE 13 -3.002 -1.119 7.260 111 HB3 PHE 13 HB3 PHE 13 -3.777 -0.008 8.390 112 HD1 PHE 13 HD1 PHE 13 -2.197 -3.260 7.994 113 HD2 PHE 13 HD2 PHE 13 -3.996 -0.590 10.765 114 HE1 PHE 13 HE1 PHE 13 -1.262 -4.549 9.842 115 HE2 PHE 13 HE2 PHE 13 -3.020 -1.816 12.620 116 HZ PHE 13 HZ PHE 13 -1.654 -3.833 12.176 117 H ASN 14 H ASN 14 -6.660 -2.882 9.051 118 HA ASN 14 HA ASN 14 -8.087 -0.552 9.959 119 HB2 ASN 14 HB2 ASN 14 -9.579 -2.389 11.066 120 HB3 ASN 14 HB3 ASN 14 -9.730 -2.056 9.373 121 HD21 ASN 14 HD21 ASN 14 -10.760 -4.306 10.127 122 HD22 ASN 14 HD22 ASN 14 -9.765 -5.648 9.688 123 H ARG 15 H ARG 15 -6.372 0.128 11.358 124 HA ARG 15 HA ARG 15 -5.016 -1.350 13.162 125 HB2 ARG 15 HB2 ARG 15 -4.170 0.715 13.055 126 HB3 ARG 15 HB3 ARG 15 -5.745 1.509 13.030 127 HG2 ARG 15 HG2 ARG 15 -5.971 1.001 15.442 128 HG3 ARG 15 HG3 ARG 15 -4.318 0.384 15.421 129 HD2 ARG 15 HD2 ARG 15 -5.201 3.195 14.758 130 HD3 ARG 15 HD3 ARG 15 -4.340 2.688 16.211 131 HE ARG 15 HE ARG 15 -3.230 3.152 13.593 132 HH11 ARG 15 HH11 ARG 15 -2.744 1.548 16.670 133 HH12 ARG 15 HH12 ARG 15 -1.025 1.459 16.489 134 HH21 ARG 15 HH21 ARG 15 -0.967 3.031 13.364 135 HH22 ARG 15 HH22 ARG 15 -0.016 2.301 14.614 136 H ILE 16 H ILE 16 -8.464 -0.914 13.374 137 HA ILE 16 HA ILE 16 -8.757 -1.097 16.135 138 HB ILE 16 HB ILE 16 -10.449 -1.814 13.811 139 HG12 ILE 16 HG12 ILE 16 -11.017 0.316 13.935 140 HG13 ILE 16 HG13 ILE 16 -11.584 0.063 15.548 141 HG21 ILE 16 HG21 ILE 16 -12.187 -2.210 15.527 142 HG22 ILE 16 HG22 ILE 16 -10.903 -2.073 16.740 143 HG23 ILE 16 HG23 ILE 16 -10.845 -3.376 15.543 144 HD11 ILE 16 HD11 ILE 16 -8.716 0.552 15.313 145 HD12 ILE 16 HD12 ILE 16 -9.889 1.198 16.456 146 HD13 ILE 16 HD13 ILE 16 -9.762 1.890 14.835 147 H THR 17 H THR 17 -8.909 -3.302 13.477 148 HA THR 17 HA THR 17 -8.467 -5.557 15.169 149 HB THR 17 HB THR 17 -9.638 -6.858 13.723 150 HG1 THR 17 HG1 THR 17 -8.312 -6.311 11.905 151 HG21 THR 17 HG21 THR 17 -10.966 -5.003 14.646 152 HG22 THR 17 HG22 THR 17 -11.631 -5.722 13.176 153 HG23 THR 17 HG23 THR 17 -10.791 -4.154 13.107 154 H GLY 18 H GLY 18 -6.709 -3.429 14.071 155 HA2 GLY 18 HA2 GLY 18 -4.851 -3.136 12.764 156 HA3 GLY 18 HA3 GLY 18 -4.234 -4.317 13.877 157 H LYS 19 H LYS 19 -6.740 -4.898 11.492 158 HA LYS 19 HA LYS 19 -5.200 -7.038 10.378 159 HB2 LYS 19 HB2 LYS 19 -7.946 -6.090 10.280 160 HB3 LYS 19 HB3 LYS 19 -7.355 -6.962 8.865 161 HG2 LYS 19 HG2 LYS 19 -6.559 -8.685 10.471 162 HG3 LYS 19 HG3 LYS 19 -7.561 -7.849 11.689 163 HD2 LYS 19 HD2 LYS 19 -9.533 -8.461 10.652 164 HD3 LYS 19 HD3 LYS 19 -8.776 -8.629 9.067 165 HE2 LYS 19 HE2 LYS 19 -8.598 -10.818 9.385 166 HE3 LYS 19 HE3 LYS 19 -7.582 -10.531 10.797 167 HZ1 LYS 19 HZ1 LYS 19 -9.655 -10.305 12.111 168 HZ2 LYS 19 HZ2 LYS 19 -9.439 -11.848 11.452 169 HZ3 LYS 19 HZ3 LYS 19 -10.540 -10.775 10.747 170 H ARG 20 H ARG 20 -4.936 -7.384 8.145 171 HA ARG 20 HA ARG 20 -4.810 -4.945 6.565 172 HB2 ARG 20 HB2 ARG 20 -2.669 -5.418 5.685 173 HB3 ARG 20 HB3 ARG 20 -2.583 -5.554 7.466 174 HG2 ARG 20 HG2 ARG 20 -2.959 -8.075 7.056 175 HG3 ARG 20 HG3 ARG 20 -2.459 -7.712 5.403 176 HD2 ARG 20 HD2 ARG 20 -0.329 -6.969 6.109 177 HD3 ARG 20 HD3 ARG 20 -0.830 -6.905 7.798 178 HE ARG 20 HE ARG 20 -0.402 -9.147 7.981 179 HH11 ARG 20 HH11 ARG 20 -0.487 -8.305 4.582 180 HH12 ARG 20 HH12 ARG 20 0.090 -9.850 4.060 181 HH21 ARG 20 HH21 ARG 20 0.357 -11.181 7.285 182 HH22 ARG 20 HH22 ARG 20 0.569 -11.483 5.593 183 H GLN 21 H GLN 21 -5.282 -5.068 4.519 184 HA GLN 21 HA GLN 21 -5.544 -7.607 3.182 185 HB2 GLN 21 HB2 GLN 21 -7.919 -6.289 2.632 186 HB3 GLN 21 HB3 GLN 21 -7.725 -7.818 3.426 187 HG2 GLN 21 HG2 GLN 21 -7.427 -6.486 5.540 188 HG3 GLN 21 HG3 GLN 21 -7.922 -5.103 4.619 189 HE21 GLN 21 HE21 GLN 21 -10.077 -5.206 3.642 190 HE22 GLN 21 HE22 GLN 21 -11.281 -6.102 4.468 191 H PHE 22 H PHE 22 -5.476 -7.329 0.900 192 HA PHE 22 HA PHE 22 -4.608 -4.681 0.045 193 HB2 PHE 22 HB2 PHE 22 -4.921 -7.331 -1.367 194 HB3 PHE 22 HB3 PHE 22 -4.480 -5.862 -2.225 195 HD1 PHE 22 HD2 PHE 22 -2.424 -4.566 -1.139 196 HD2 PHE 22 HD1 PHE 22 -3.217 -8.703 -0.635 197 HE1 PHE 22 HE2 PHE 22 -0.079 -4.940 -0.571 198 HE2 PHE 22 HE1 PHE 22 -0.872 -9.087 -0.066 199 HZ PHE 22 HZ PHE 22 0.682 -7.200 -0.039 200 H GLU 23 H GLU 23 -7.214 -4.775 1.018 201 HA GLU 23 HA GLU 23 -8.873 -4.079 -1.270 202 HB2 GLU 23 HB2 GLU 23 -10.055 -5.939 -0.911 203 HB3 GLU 23 HB3 GLU 23 -9.141 -6.300 0.563 204 HG2 GLU 23 HG2 GLU 23 -10.596 -4.845 1.858 205 HG3 GLU 23 HG3 GLU 23 -11.469 -4.403 0.391 206 H ARG 24 H ARG 24 -10.506 -2.772 -0.940 207 HA ARG 24 HA ARG 24 -10.461 -1.147 1.479 208 HB2 ARG 24 HB2 ARG 24 -10.558 0.014 -0.656 209 HB3 ARG 24 HB3 ARG 24 -12.028 -0.863 -1.093 210 HG2 ARG 24 HG2 ARG 24 -12.912 0.061 1.120 211 HG3 ARG 24 HG3 ARG 24 -11.606 1.237 0.941 212 HD2 ARG 24 HD2 ARG 24 -12.524 2.145 -0.975 213 HD3 ARG 24 HD3 ARG 24 -13.478 0.699 -1.313 214 HE ARG 24 HE ARG 24 -14.146 2.896 0.448 215 HH11 ARG 24 HH11 ARG 24 -14.895 -0.386 -0.523 216 HH12 ARG 24 HH12 ARG 24 -16.502 -0.341 0.118 217 HH21 ARG 24 HH21 ARG 24 -16.268 2.946 1.296 218 HH22 ARG 24 HH22 ARG 24 -17.282 1.549 1.150 219 HA PRO 25 HA PRO 25 -13.031 -4.390 3.033 220 HB2 PRO 25 HB2 PRO 25 -13.348 -2.506 5.165 221 HB3 PRO 25 HB3 PRO 25 -12.823 -4.161 5.198 222 HG2 PRO 25 HG2 PRO 25 -11.094 -2.177 5.516 223 HG3 PRO 25 HG3 PRO 25 -10.665 -3.609 4.657 224 HD2 PRO 25 HD2 PRO 25 -11.249 -0.927 3.546 225 HD3 PRO 25 HD3 PRO 25 -10.139 -2.209 3.007 226 H SER 26 H SER 26 -14.984 -4.901 3.257 227 HA SER 26 HA SER 26 -16.989 -3.851 1.844 228 HB2 SER 26 HB2 SER 26 -17.147 -5.395 4.343 229 HB3 SER 26 HB3 SER 26 -18.464 -5.221 3.178 230 HG SER 26 HG SER 26 -17.588 -7.036 2.460 231 H ASP 27 H ASP 27 -16.143 -3.242 5.007 232 HA ASP 27 HA ASP 27 -16.571 -1.522 6.396 233 HB2 ASP 27 HB2 ASP 27 -16.394 0.202 5.099 234 HB3 ASP 27 HB3 ASP 27 -17.124 -0.670 3.755 235 H1 LYS 1 H1 LYS 1 -17.639 6.193 4.328 236 H2 LYS 1 H2 LYS 1 -17.378 5.546 2.760 237 H3 LYS 1 H3 LYS 1 -17.299 7.241 3.015 238 HA LYS 1 HA LYS 1 -15.138 6.198 2.775 239 HB2 LYS 1 HB2 LYS 1 -14.156 7.398 4.630 240 HB3 LYS 1 HB3 LYS 1 -15.537 8.304 4.028 241 HG2 LYS 1 HG2 LYS 1 -16.495 6.605 6.067 242 HG3 LYS 1 HG3 LYS 1 -15.016 7.359 6.666 243 HD2 LYS 1 HD2 LYS 1 -16.188 9.503 5.565 244 HD3 LYS 1 HD3 LYS 1 -17.627 8.571 5.976 245 HE2 LYS 1 HE2 LYS 1 -15.420 9.120 7.935 246 HE3 LYS 1 HE3 LYS 1 -16.788 10.205 7.709 247 HZ1 LYS 1 HZ1 LYS 1 -17.179 7.340 8.325 248 HZ2 LYS 1 HZ2 LYS 1 -18.275 8.615 8.507 249 HZ3 LYS 1 HZ3 LYS 1 -16.951 8.484 9.551 250 H LEU 2 H LEU 2 -13.368 5.223 4.225 251 HA LEU 2 HA LEU 2 -13.816 2.546 4.678 252 HB2 LEU 2 HB2 LEU 2 -11.818 4.459 5.768 253 HB3 LEU 2 HB3 LEU 2 -11.823 2.767 6.186 254 HG LEU 2 HG LEU 2 -11.551 3.806 3.388 255 HD11 LEU 2 HD11 LEU 2 -9.322 2.428 4.636 256 HD12 LEU 2 HD12 LEU 2 -9.766 3.936 5.453 257 HD13 LEU 2 HD13 LEU 2 -9.369 3.953 3.736 258 HD21 LEU 2 HD21 LEU 2 -10.508 1.209 3.806 259 HD22 LEU 2 HD22 LEU 2 -11.859 1.699 2.759 260 HD23 LEU 2 HD23 LEU 2 -12.159 1.233 4.437 261 HA PRO 3 HA PRO 3 -15.634 1.941 8.676 262 HB2 PRO 3 HB2 PRO 3 -13.970 -0.398 8.868 263 HB3 PRO 3 HB3 PRO 3 -15.722 -0.284 8.769 264 HG2 PRO 3 HG2 PRO 3 -14.301 -1.213 6.708 265 HG3 PRO 3 HG3 PRO 3 -15.721 -0.213 6.473 266 HD2 PRO 3 HD2 PRO 3 -12.835 0.587 6.308 267 HD3 PRO 3 HD3 PRO 3 -14.187 0.944 5.236 268 HA PRO 4 HA PRO 4 -12.973 3.387 11.777 269 HB2 PRO 4 HB2 PRO 4 -13.992 1.059 13.196 270 HB3 PRO 4 HB3 PRO 4 -13.758 2.692 13.744 271 HG2 PRO 4 HG2 PRO 4 -16.132 2.121 13.105 272 HG3 PRO 4 HG3 PRO 4 -15.424 3.502 12.286 273 HD2 PRO 4 HD2 PRO 4 -15.626 0.765 11.302 274 HD3 PRO 4 HD3 PRO 4 -16.140 2.250 10.552 275 H GLY 5 H GLY 5 -11.045 3.270 12.386 276 HA2 GLY 5 HA2 GLY 5 -8.941 2.471 12.793 277 HA3 GLY 5 HA3 GLY 5 -9.640 0.872 12.763 278 H TRP 6 H TRP 6 -10.694 1.539 9.889 279 HA TRP 6 HA TRP 6 -8.454 0.403 8.556 280 HB2 TRP 6 HB2 TRP 6 -11.172 1.195 7.788 281 HB3 TRP 6 HB3 TRP 6 -10.030 1.031 6.498 282 HD1 TRP 6 HD1 TRP 6 -12.638 -0.639 7.800 283 HE1 TRP 6 HE1 TRP 6 -12.548 -3.166 7.674 284 HE3 TRP 6 HE3 TRP 6 -7.796 -1.078 6.820 285 HZ2 TRP 6 HZ2 TRP 6 -10.563 -5.133 7.139 286 HZ3 TRP 6 HZ3 TRP 6 -6.841 -3.279 6.494 287 HH2 TRP 6 HH2 TRP 6 -8.141 -5.225 6.610 288 H GLU 7 H GLU 7 -7.160 1.266 7.033 289 HA GLU 7 HA GLU 7 -7.532 3.953 6.084 290 HB2 GLU 7 HB2 GLU 7 -5.112 3.209 7.766 291 HB3 GLU 7 HB3 GLU 7 -5.155 4.607 6.705 292 HG2 GLU 7 HG2 GLU 7 -7.138 4.206 8.924 293 HG3 GLU 7 HG3 GLU 7 -5.593 5.017 9.157 294 H LYS 8 H LYS 8 -6.987 3.986 4.007 295 HA LYS 8 HA LYS 8 -5.832 1.631 2.849 296 HB2 LYS 8 HB2 LYS 8 -7.652 3.138 1.732 297 HB3 LYS 8 HB3 LYS 8 -6.356 4.311 1.451 298 HG2 LYS 8 HG2 LYS 8 -5.114 2.565 0.161 299 HG3 LYS 8 HG3 LYS 8 -6.529 1.524 0.316 300 HD2 LYS 8 HD2 LYS 8 -7.798 3.586 -0.669 301 HD3 LYS 8 HD3 LYS 8 -6.194 4.058 -1.231 302 HE2 LYS 8 HE2 LYS 8 -6.323 2.621 -2.918 303 HE3 LYS 8 HE3 LYS 8 -6.610 1.288 -1.800 304 HZ1 LYS 8 HZ1 LYS 8 -8.936 1.667 -1.893 305 HZ2 LYS 8 HZ2 LYS 8 -8.384 1.641 -3.492 306 HZ3 LYS 8 HZ3 LYS 8 -8.747 3.116 -2.748 307 H ARG 9 H ARG 9 -3.723 1.278 2.726 308 HA ARG 9 HA ARG 9 -1.873 3.575 2.627 309 HB2 ARG 9 HB2 ARG 9 -1.309 0.853 3.816 310 HB3 ARG 9 HB3 ARG 9 -0.248 2.254 3.847 311 HG2 ARG 9 HG2 ARG 9 -1.861 3.444 5.251 312 HG3 ARG 9 HG3 ARG 9 -2.918 2.031 5.224 313 HD2 ARG 9 HD2 ARG 9 -1.529 2.183 7.281 314 HD3 ARG 9 HD3 ARG 9 -1.242 0.715 6.370 315 HE ARG 9 HE ARG 9 0.853 1.401 5.965 316 HH11 ARG 9 HH11 ARG 9 -0.955 4.138 7.228 317 HH12 ARG 9 HH12 ARG 9 0.478 4.982 7.707 318 HH21 ARG 9 HH21 ARG 9 2.575 2.410 6.635 319 HH22 ARG 9 HH22 ARG 9 2.550 3.989 7.347 320 H CYS 10 H CYS 10 -1.196 3.767 0.571 321 HA CYS 10 HA CYS 10 -0.516 1.303 -0.882 322 HB2 CYS 10 HB2 CYS 10 -0.709 3.894 -2.335 323 HB3 CYS 10 HB3 CYS 10 -1.095 2.267 -2.873 324 H PHE 11 H PHE 11 1.516 0.776 -0.890 325 HA PHE 11 HA PHE 11 3.533 2.913 -0.991 326 HB2 PHE 11 HB2 PHE 11 5.065 1.507 0.259 327 HB3 PHE 11 HB3 PHE 11 3.548 1.614 1.151 328 HD1 PHE 11 HD2 PHE 11 5.524 -0.559 -1.137 329 HD2 PHE 11 HD1 PHE 11 2.364 -0.339 1.737 330 HE1 PHE 11 HE2 PHE 11 5.420 -3.022 -1.064 331 HE2 PHE 11 HE1 PHE 11 2.260 -2.805 1.807 332 HZ PHE 11 HZ PHE 11 3.786 -4.147 0.407 333 H TYR 12 H TYR 12 5.183 2.713 -2.488 334 HA TYR 12 HA TYR 12 4.778 0.798 -4.628 335 HB2 TYR 12 HB2 TYR 12 6.384 3.276 -4.261 336 HB3 TYR 12 HB3 TYR 12 7.064 2.066 -5.350 337 HD1 TYR 12 HD1 TYR 12 5.818 1.378 -7.368 338 HD2 TYR 12 HD2 TYR 12 4.351 4.481 -4.859 339 HE1 TYR 12 HE1 TYR 12 4.379 2.082 -9.131 340 HE2 TYR 12 HE2 TYR 12 2.841 5.215 -6.601 341 HH TYR 12 HH TYR 12 3.150 4.265 -9.812 342 H PHE 13 H PHE 13 6.117 -0.981 -5.013 343 HA PHE 13 HA PHE 13 8.300 -1.343 -3.031 344 HB2 PHE 13 HB2 PHE 13 6.307 -2.987 -2.947 345 HB3 PHE 13 HB3 PHE 13 6.966 -3.644 -4.451 346 HD1 PHE 13 HD1 PHE 13 7.840 -2.845 -0.961 347 HD2 PHE 13 HD2 PHE 13 8.790 -5.194 -4.384 348 HE1 PHE 13 HE1 PHE 13 9.402 -4.155 0.386 349 HE2 PHE 13 HE2 PHE 13 10.335 -6.548 -3.067 350 HZ PHE 13 HZ PHE 13 10.659 -6.034 -0.653 351 H ASN 14 H ASN 14 10.209 -1.311 -3.795 352 HA ASN 14 HA ASN 14 10.543 -1.548 -6.653 353 HB2 ASN 14 HB2 ASN 14 11.533 0.367 -5.223 354 HB3 ASN 14 HB3 ASN 14 12.703 -0.778 -4.713 355 HD21 ASN 14 HD21 ASN 14 11.409 -0.730 -7.928 356 HD22 ASN 14 HD22 ASN 14 12.856 -0.229 -8.714 357 H ARG 15 H ARG 15 10.121 -3.904 -6.380 358 HA ARG 15 HA ARG 15 11.448 -5.645 -4.819 359 HB2 ARG 15 HB2 ARG 15 10.070 -6.958 -5.898 360 HB3 ARG 15 HB3 ARG 15 10.007 -5.898 -7.302 361 HG2 ARG 15 HG2 ARG 15 11.470 -7.135 -8.475 362 HG3 ARG 15 HG3 ARG 15 12.460 -7.501 -7.063 363 HD2 ARG 15 HD2 ARG 15 9.753 -8.739 -7.508 364 HD3 ARG 15 HD3 ARG 15 11.239 -9.460 -8.127 365 HE ARG 15 HE ARG 15 10.306 -9.472 -5.418 366 HH11 ARG 15 HH11 ARG 15 13.177 -9.617 -7.423 367 HH12 ARG 15 HH12 ARG 15 14.122 -10.428 -6.221 368 HH21 ARG 15 HH21 ARG 15 11.560 -10.541 -3.841 369 HH22 ARG 15 HH22 ARG 15 13.206 -10.953 -4.190 370 H ILE 16 H ILE 16 13.088 -3.773 -7.282 371 HA ILE 16 HA ILE 16 15.269 -5.446 -7.700 372 HB ILE 16 HB ILE 16 14.821 -2.520 -7.802 373 HG12 ILE 16 HG12 ILE 16 14.123 -3.021 -9.839 374 HG13 ILE 16 HG13 ILE 16 15.705 -3.609 -10.207 375 HG21 ILE 16 HG21 ILE 16 17.271 -4.147 -8.231 376 HG22 ILE 16 HG22 ILE 16 17.018 -2.875 -7.025 377 HG23 ILE 16 HG23 ILE 16 17.114 -2.464 -8.756 378 HD11 ILE 16 HD11 ILE 16 15.075 -5.776 -10.126 379 HD12 ILE 16 HD12 ILE 16 13.538 -5.040 -10.604 380 HD13 ILE 16 HD13 ILE 16 13.830 -5.475 -8.914 381 H THR 17 H THR 17 14.541 -2.777 -5.649 382 HA THR 17 HA THR 17 16.726 -3.251 -3.887 383 HB THR 17 HB THR 17 16.445 -1.059 -3.144 384 HG1 THR 17 HG1 THR 17 14.132 -1.146 -2.962 385 HG21 THR 17 HG21 THR 17 15.729 -1.067 -6.057 386 HG22 THR 17 HG22 THR 17 17.326 -1.461 -5.407 387 HG23 THR 17 HG23 THR 17 16.658 0.157 -5.157 388 H GLY 18 H GLY 18 13.937 -4.521 -4.301 389 HA2 GLY 18 HA2 GLY 18 12.076 -5.068 -3.077 390 HA3 GLY 18 HA3 GLY 18 13.277 -5.858 -2.109 391 H LYS 19 H LYS 19 12.942 -2.418 -2.560 392 HA LYS 19 HA LYS 19 12.306 -2.123 0.264 393 HB2 LYS 19 HB2 LYS 19 13.671 -0.360 0.397 394 HB3 LYS 19 HB3 LYS 19 14.451 -1.160 -0.989 395 HG2 LYS 19 HG2 LYS 19 13.758 0.402 -2.431 396 HG3 LYS 19 HG3 LYS 19 12.244 0.684 -1.559 397 HD2 LYS 19 HD2 LYS 19 14.870 1.551 -0.403 398 HD3 LYS 19 HD3 LYS 19 14.030 2.560 -1.582 399 HE2 LYS 19 HE2 LYS 19 12.258 2.977 -0.161 400 HE3 LYS 19 HE3 LYS 19 12.544 1.520 0.790 401 HZ1 LYS 19 HZ1 LYS 19 14.432 2.530 1.810 402 HZ2 LYS 19 HZ2 LYS 19 13.137 3.610 1.944 403 HZ3 LYS 19 HZ3 LYS 19 14.345 3.880 0.792 404 H ARG 20 H ARG 20 10.998 -0.231 0.840 405 HA ARG 20 HA ARG 20 8.895 0.114 -1.163 406 HB2 ARG 20 HB2 ARG 20 7.214 -0.106 0.490 407 HB3 ARG 20 HB3 ARG 20 8.410 -1.396 0.779 408 HG2 ARG 20 HG2 ARG 20 9.304 0.707 2.338 409 HG3 ARG 20 HG3 ARG 20 7.549 0.759 2.511 410 HD2 ARG 20 HD2 ARG 20 8.387 -0.669 4.221 411 HD3 ARG 20 HD3 ARG 20 7.617 -1.695 3.012 412 HE ARG 20 HE ARG 20 10.414 -1.402 2.537 413 HH11 ARG 20 HH11 ARG 20 8.084 -3.130 4.497 414 HH12 ARG 20 HH12 ARG 20 9.125 -4.490 4.751 415 HH21 ARG 20 HH21 ARG 20 11.778 -3.195 2.873 416 HH22 ARG 20 HH22 ARG 20 11.222 -4.527 3.830 417 H GLN 21 H GLN 21 7.722 1.894 -1.341 418 HA GLN 21 HA GLN 21 8.583 4.333 0.070 419 HB2 GLN 21 HB2 GLN 21 7.710 4.194 -2.763 420 HB3 GLN 21 HB3 GLN 21 8.522 5.536 -1.962 421 HG2 GLN 21 HG2 GLN 21 10.189 3.246 -1.925 422 HG3 GLN 21 HG3 GLN 21 9.524 3.465 -3.499 423 HE21 GLN 21 HE21 GLN 21 9.624 5.739 -4.337 424 HE22 GLN 21 HE22 GLN 21 11.103 6.558 -4.056 425 H PHE 22 H PHE 22 6.830 6.052 -0.175 426 HA PHE 22 HA PHE 22 4.138 4.826 -0.382 427 HB2 PHE 22 HB2 PHE 22 5.181 7.169 1.215 428 HB3 PHE 22 HB3 PHE 22 3.459 6.938 0.928 429 HD1 PHE 22 HD1 PHE 22 2.502 4.609 1.595 430 HD2 PHE 22 HD2 PHE 22 6.176 6.175 3.055 431 HE1 PHE 22 HE1 PHE 22 2.383 3.077 3.509 432 HE2 PHE 22 HE2 PHE 22 6.070 4.650 4.977 433 HZ PHE 22 HZ PHE 22 4.172 3.110 5.188 434 H GLU 23 H GLU 23 5.894 5.687 -2.450 435 HA GLU 23 HA GLU 23 4.394 7.708 -3.927 436 HB2 GLU 23 HB2 GLU 23 6.061 9.180 -3.597 437 HB3 GLU 23 HB3 GLU 23 6.950 7.975 -2.656 438 HG2 GLU 23 HG2 GLU 23 7.784 7.031 -4.853 439 HG3 GLU 23 HG3 GLU 23 7.097 8.463 -5.616 440 H ARG 24 H ARG 24 4.971 7.869 -6.091 441 HA ARG 24 HA ARG 24 5.985 5.389 -7.232 442 HB2 ARG 24 HB2 ARG 24 3.870 6.117 -8.140 443 HB3 ARG 24 HB3 ARG 24 4.531 7.706 -8.507 444 HG2 ARG 24 HG2 ARG 24 6.228 6.463 -9.897 445 HG3 ARG 24 HG3 ARG 24 5.133 5.075 -9.777 446 HD2 ARG 24 HD2 ARG 24 3.459 6.142 -10.963 447 HD3 ARG 24 HD3 ARG 24 4.090 7.748 -10.599 448 HE ARG 24 HE ARG 24 4.820 6.016 -12.769 449 HH11 ARG 24 HH11 ARG 24 5.864 8.705 -10.782 450 HH12 ARG 24 HH12 ARG 24 6.962 9.322 -11.969 451 HH21 ARG 24 HH21 ARG 24 6.278 6.844 -14.339 452 HH22 ARG 24 HH22 ARG 24 7.196 8.267 -13.985 453 HA PRO 25 HA PRO 25 9.895 7.387 -6.585 454 HB2 PRO 25 HB2 PRO 25 10.639 5.384 -8.493 455 HB3 PRO 25 HB3 PRO 25 11.295 5.739 -6.926 456 HG2 PRO 25 HG2 PRO 25 9.607 3.657 -7.401 457 HG3 PRO 25 HG3 PRO 25 9.793 4.420 -5.875 458 HD2 PRO 25 HD2 PRO 25 7.490 4.462 -7.561 459 HD3 PRO 25 HD3 PRO 25 7.717 5.032 -5.904 460 H SER 26 H SER 26 11.311 8.572 -7.512 461 HA SER 26 HA SER 26 10.810 10.485 -9.191 462 HB2 SER 26 HB2 SER 26 12.868 10.377 -8.027 463 HB3 SER 26 HB3 SER 26 13.382 9.028 -9.049 464 HG SER 26 HG SER 26 14.151 11.280 -9.563 465 H ASP 27 H ASP 27 11.917 7.463 -10.166 466 HA ASP 27 HA ASP 27 11.740 6.314 -12.106 467 HB2 ASP 27 HB2 ASP 27 9.669 6.610 -12.643 468 HB3 ASP 27 HB3 ASP 27 9.697 8.267 -12.044 Start of MODEL 5 1 H1 LYS 1 H1 LYS 1 6.672 6.209 -16.144 2 H2 LYS 1 H2 LYS 1 5.039 5.691 -16.242 3 H3 LYS 1 H3 LYS 1 6.310 4.537 -16.254 4 HA LYS 1 HA LYS 1 5.594 6.333 -14.033 5 HB2 LYS 1 HB2 LYS 1 4.745 4.350 -12.955 6 HB3 LYS 1 HB3 LYS 1 3.979 4.507 -14.528 7 HG2 LYS 1 HG2 LYS 1 6.301 2.920 -14.864 8 HG3 LYS 1 HG3 LYS 1 5.424 2.309 -13.461 9 HD2 LYS 1 HD2 LYS 1 3.387 2.140 -14.794 10 HD3 LYS 1 HD3 LYS 1 4.236 2.797 -16.192 11 HE2 LYS 1 HE2 LYS 1 4.064 0.397 -16.366 12 HE3 LYS 1 HE3 LYS 1 5.747 0.877 -16.169 13 HZ1 LYS 1 HZ1 LYS 1 4.070 0.013 -13.885 14 HZ2 LYS 1 HZ2 LYS 1 5.755 0.142 -13.951 15 HZ3 LYS 1 HZ3 LYS 1 4.967 -1.083 -14.811 16 H LEU 2 H LEU 2 6.551 5.247 -11.955 17 HA LEU 2 HA LEU 2 9.142 5.672 -11.767 18 HB2 LEU 2 HB2 LEU 2 9.133 4.697 -9.667 19 HB3 LEU 2 HB3 LEU 2 7.507 5.255 -9.948 20 HG LEU 2 HG LEU 2 8.511 2.465 -10.078 21 HD11 LEU 2 HD11 LEU 2 6.450 2.296 -8.563 22 HD12 LEU 2 HD12 LEU 2 6.697 4.036 -8.355 23 HD13 LEU 2 HD13 LEU 2 7.968 2.908 -7.868 24 HD21 LEU 2 HD21 LEU 2 7.054 3.021 -11.882 25 HD22 LEU 2 HD22 LEU 2 5.819 3.506 -10.669 26 HD23 LEU 2 HD23 LEU 2 6.363 1.833 -10.758 27 HA PRO 3 HA PRO 3 12.268 3.009 -13.118 28 HB2 PRO 3 HB2 PRO 3 12.737 2.309 -10.326 29 HB3 PRO 3 HB3 PRO 3 13.839 2.962 -11.529 30 HG2 PRO 3 HG2 PRO 3 12.775 4.485 -9.611 31 HG3 PRO 3 HG3 PRO 3 13.130 5.114 -11.215 32 HD2 PRO 3 HD2 PRO 3 10.538 4.461 -9.968 33 HD3 PRO 3 HD3 PRO 3 10.916 5.617 -11.216 34 HA PRO 4 HA PRO 4 11.578 -1.268 -13.547 35 HB2 PRO 4 HB2 PRO 4 14.373 -1.356 -12.741 36 HB3 PRO 4 HB3 PRO 4 13.568 -2.155 -14.057 37 HG2 PRO 4 HG2 PRO 4 14.877 -0.118 -14.719 38 HG3 PRO 4 HG3 PRO 4 13.177 -0.106 -15.155 39 HD2 PRO 4 HD2 PRO 4 14.407 1.111 -12.806 40 HD3 PRO 4 HD3 PRO 4 13.431 1.849 -14.045 41 H GLY 5 H GLY 5 11.294 -3.112 -12.516 42 HA2 GLY 5 HA2 GLY 5 11.025 -4.538 -10.742 43 HA3 GLY 5 HA3 GLY 5 12.197 -3.552 -9.904 44 H TRP 6 H TRP 6 10.285 -1.137 -10.482 45 HA TRP 6 HA TRP 6 8.962 -1.297 -7.986 46 HB2 TRP 6 HB2 TRP 6 9.228 0.742 -10.103 47 HB3 TRP 6 HB3 TRP 6 7.944 0.917 -8.978 48 HD1 TRP 6 HD1 TRP 6 11.013 2.206 -9.619 49 HE1 TRP 6 HE1 TRP 6 12.348 2.940 -7.569 50 HE3 TRP 6 HE3 TRP 6 8.223 0.047 -6.114 51 HZ2 TRP 6 HZ2 TRP 6 12.133 2.653 -4.765 52 HZ3 TRP 6 HZ3 TRP 6 8.783 0.328 -3.787 53 HH2 TRP 6 HH2 TRP 6 10.631 1.593 -3.120 54 H GLU 7 H GLU 7 6.790 -1.096 -7.608 55 HA GLU 7 HA GLU 7 4.878 -1.034 -9.677 56 HB2 GLU 7 HB2 GLU 7 3.776 -3.185 -9.245 57 HB3 GLU 7 HB3 GLU 7 5.346 -3.358 -10.007 58 HG2 GLU 7 HG2 GLU 7 6.083 -4.659 -8.362 59 HG3 GLU 7 HG3 GLU 7 5.575 -3.507 -7.131 60 H LYS 8 H LYS 8 3.739 0.419 -8.800 61 HA LYS 8 HA LYS 8 3.399 1.044 -6.148 62 HB2 LYS 8 HB2 LYS 8 2.489 2.325 -8.291 63 HB3 LYS 8 HB3 LYS 8 1.069 1.285 -8.137 64 HG2 LYS 8 HG2 LYS 8 0.642 2.145 -5.886 65 HG3 LYS 8 HG3 LYS 8 2.061 3.183 -6.006 66 HD2 LYS 8 HD2 LYS 8 1.044 4.638 -7.436 67 HD3 LYS 8 HD3 LYS 8 0.046 3.383 -8.173 68 HE2 LYS 8 HE2 LYS 8 -1.447 4.750 -6.971 69 HE3 LYS 8 HE3 LYS 8 -1.226 3.309 -5.981 70 HZ1 LYS 8 HZ1 LYS 8 0.173 5.899 -5.576 71 HZ2 LYS 8 HZ2 LYS 8 0.340 4.521 -4.610 72 HZ3 LYS 8 HZ3 LYS 8 -1.138 5.341 -4.664 73 H ARG 9 H ARG 9 1.804 0.476 -4.549 74 HA ARG 9 HA ARG 9 -0.119 -1.639 -5.140 75 HB2 ARG 9 HB2 ARG 9 1.985 -2.809 -4.517 76 HB3 ARG 9 HB3 ARG 9 1.968 -1.970 -2.973 77 HG2 ARG 9 HG2 ARG 9 0.596 -3.474 -2.095 78 HG3 ARG 9 HG3 ARG 9 -0.546 -3.297 -3.428 79 HD2 ARG 9 HD2 ARG 9 1.859 -5.105 -3.322 80 HD3 ARG 9 HD3 ARG 9 0.175 -5.580 -3.383 81 HE ARG 9 HE ARG 9 1.840 -4.718 -5.526 82 HH11 ARG 9 HH11 ARG 9 -1.474 -5.217 -4.468 83 HH12 ARG 9 HH12 ARG 9 -2.014 -5.646 -6.055 84 HH21 ARG 9 HH21 ARG 9 1.179 -5.318 -7.426 85 HH22 ARG 9 HH22 ARG 9 -0.471 -5.692 -7.800 86 H CYS 10 H CYS 10 -1.835 -1.790 -3.588 87 HA CYS 10 HA CYS 10 -1.766 0.245 -1.472 88 HB2 CYS 10 HB2 CYS 10 -4.160 -0.163 -3.262 89 HB3 CYS 10 HB3 CYS 10 -4.012 0.993 -1.948 90 H PHE 11 H PHE 11 -2.231 -0.488 0.431 91 HA PHE 11 HA PHE 11 -4.056 -2.775 0.669 92 HB2 PHE 11 HB2 PHE 11 -2.773 -3.713 2.475 93 HB3 PHE 11 HB3 PHE 11 -1.658 -3.412 1.141 94 HD1 PHE 11 HD2 PHE 11 -2.814 -2.196 4.434 95 HD2 PHE 11 HD1 PHE 11 0.165 -1.912 1.406 96 HE1 PHE 11 HE2 PHE 11 -1.381 -0.908 5.964 97 HE2 PHE 11 HE1 PHE 11 1.598 -0.619 2.933 98 HZ PHE 11 HZ PHE 11 0.824 -0.115 5.214 99 H TYR 12 H TYR 12 -5.610 -2.603 2.253 100 HA TYR 12 HA TYR 12 -5.948 -0.004 3.486 101 HB2 TYR 12 HB2 TYR 12 -7.652 -2.413 3.094 102 HB3 TYR 12 HB3 TYR 12 -7.998 -1.423 4.516 103 HD1 TYR 12 HD1 TYR 12 -8.669 0.920 4.249 104 HD2 TYR 12 HD2 TYR 12 -8.071 -1.536 0.847 105 HE1 TYR 12 HE1 TYR 12 -9.894 2.480 2.947 106 HE2 TYR 12 HE2 TYR 12 -9.279 0.028 -0.529 107 HH TYR 12 HH TYR 12 -10.242 2.101 -0.593 108 H PHE 13 H PHE 13 -5.735 0.410 5.694 109 HA PHE 13 HA PHE 13 -4.797 -1.886 7.340 110 HB2 PHE 13 HB2 PHE 13 -3.051 -0.085 6.720 111 HB3 PHE 13 HB3 PHE 13 -3.931 0.956 7.844 112 HD1 PHE 13 HD2 PHE 13 -2.077 -2.180 7.524 113 HD2 PHE 13 HD1 PHE 13 -3.705 0.659 10.229 114 HE1 PHE 13 HE2 PHE 13 -0.819 -3.202 9.340 115 HE2 PHE 13 HE1 PHE 13 -2.436 -0.307 12.060 116 HZ PHE 13 HZ PHE 13 -0.975 -2.269 11.633 117 H ASN 14 H ASN 14 -6.095 -2.329 8.923 118 HA ASN 14 HA ASN 14 -7.929 -0.281 9.776 119 HB2 ASN 14 HB2 ASN 14 -8.902 -2.254 11.153 120 HB3 ASN 14 HB3 ASN 14 -9.230 -2.160 9.453 121 HD21 ASN 14 HD21 ASN 14 -9.812 -4.437 9.986 122 HD22 ASN 14 HD22 ASN 14 -8.561 -5.608 9.816 123 H ARG 15 H ARG 15 -6.304 0.875 10.973 124 HA ARG 15 HA ARG 15 -4.552 -0.180 12.756 125 HB2 ARG 15 HB2 ARG 15 -4.103 1.982 12.463 126 HB3 ARG 15 HB3 ARG 15 -5.796 2.476 12.464 127 HG2 ARG 15 HG2 ARG 15 -5.701 3.080 14.587 128 HG3 ARG 15 HG3 ARG 15 -4.980 1.548 15.067 129 HD2 ARG 15 HD2 ARG 15 -3.507 3.918 13.922 130 HD3 ARG 15 HD3 ARG 15 -3.493 3.410 15.612 131 HE ARG 15 HE ARG 15 -1.934 2.336 13.480 132 HH11 ARG 15 HH11 ARG 15 -3.478 1.490 16.510 133 HH12 ARG 15 HH12 ARG 15 -2.421 0.153 16.813 134 HH21 ARG 15 HH21 ARG 15 -0.550 0.574 13.887 135 HH22 ARG 15 HH22 ARG 15 -0.759 -0.367 15.326 136 H ILE 16 H ILE 16 -8.002 -0.342 13.136 137 HA ILE 16 HA ILE 16 -8.177 -0.431 15.906 138 HB ILE 16 HB ILE 16 -9.748 -1.602 13.685 139 HG12 ILE 16 HG12 ILE 16 -10.711 0.385 13.727 140 HG13 ILE 16 HG13 ILE 16 -11.219 0.080 15.349 141 HG21 ILE 16 HG21 ILE 16 -9.769 -3.118 15.506 142 HG22 ILE 16 HG22 ILE 16 -11.325 -2.251 15.476 143 HG23 ILE 16 HG23 ILE 16 -10.067 -1.794 16.636 144 HD11 ILE 16 HD11 ILE 16 -8.517 1.178 14.983 145 HD12 ILE 16 HD12 ILE 16 -9.710 1.496 16.239 146 HD13 ILE 16 HD13 ILE 16 -9.887 2.244 14.644 147 H THR 17 H THR 17 -7.955 -2.785 13.374 148 HA THR 17 HA THR 17 -7.060 -4.811 15.171 149 HB THR 17 HB THR 17 -8.021 -6.380 13.893 150 HG1 THR 17 HG1 THR 17 -6.709 -6.026 12.078 151 HG21 THR 17 HG21 THR 17 -9.527 -4.035 12.782 152 HG22 THR 17 HG22 THR 17 -9.644 -4.583 14.457 153 HG23 THR 17 HG23 THR 17 -10.118 -5.672 13.150 154 H GLY 18 H GLY 18 -5.755 -2.453 13.911 155 HA2 GLY 18 HA2 GLY 18 -3.992 -1.914 12.536 156 HA3 GLY 18 HA3 GLY 18 -3.165 -2.770 13.795 157 H LYS 19 H LYS 19 -5.375 -4.093 11.379 158 HA LYS 19 HA LYS 19 -3.110 -5.659 10.360 159 HB2 LYS 19 HB2 LYS 19 -4.406 -7.489 10.164 160 HB3 LYS 19 HB3 LYS 19 -5.214 -6.691 11.528 161 HG2 LYS 19 HG2 LYS 19 -7.014 -6.160 10.317 162 HG3 LYS 19 HG3 LYS 19 -6.100 -6.005 8.813 163 HD2 LYS 19 HD2 LYS 19 -6.449 -8.693 10.076 164 HD3 LYS 19 HD3 LYS 19 -7.760 -8.002 9.120 165 HE2 LYS 19 HE2 LYS 19 -6.453 -7.949 7.168 166 HE3 LYS 19 HE3 LYS 19 -4.954 -8.179 8.066 167 HZ1 LYS 19 HZ1 LYS 19 -5.921 -10.160 6.806 168 HZ2 LYS 19 HZ2 LYS 19 -7.053 -10.256 8.058 169 HZ3 LYS 19 HZ3 LYS 19 -5.403 -10.418 8.396 170 H ARG 20 H ARG 20 -3.394 -6.416 8.055 171 HA ARG 20 HA ARG 20 -4.336 -4.133 6.498 172 HB2 ARG 20 HB2 ARG 20 -2.411 -4.145 5.145 173 HB3 ARG 20 HB3 ARG 20 -1.850 -4.365 6.824 174 HG2 ARG 20 HG2 ARG 20 -2.331 -6.772 5.132 175 HG3 ARG 20 HG3 ARG 20 -0.876 -5.813 4.870 176 HD2 ARG 20 HD2 ARG 20 -1.526 -6.509 7.671 177 HD3 ARG 20 HD3 ARG 20 -1.012 -7.832 6.628 178 HE ARG 20 HE ARG 20 0.859 -5.924 6.185 179 HH11 ARG 20 HH11 ARG 20 -0.394 -7.417 9.095 180 HH12 ARG 20 HH12 ARG 20 1.088 -7.238 9.971 181 HH21 ARG 20 HH21 ARG 20 2.810 -5.693 7.347 182 HH22 ARG 20 HH22 ARG 20 2.906 -6.260 8.981 183 H GLN 21 H GLN 21 -5.094 -4.316 4.510 184 HA GLN 21 HA GLN 21 -5.737 -6.986 3.449 185 HB2 GLN 21 HB2 GLN 21 -7.491 -4.600 3.276 186 HB3 GLN 21 HB3 GLN 21 -7.935 -6.275 2.960 187 HG2 GLN 21 HG2 GLN 21 -7.129 -6.022 5.654 188 HG3 GLN 21 HG3 GLN 21 -8.171 -4.715 5.245 189 HE21 GLN 21 HE21 GLN 21 -10.190 -5.329 4.081 190 HE22 GLN 21 HE22 GLN 21 -10.972 -6.745 4.648 191 H PHE 22 H PHE 22 -6.371 -6.739 1.057 192 HA PHE 22 HA PHE 22 -4.909 -4.484 -0.194 193 HB2 PHE 22 HB2 PHE 22 -5.422 -7.318 -1.105 194 HB3 PHE 22 HB3 PHE 22 -4.938 -6.058 -2.236 195 HD1 PHE 22 HD1 PHE 22 -2.784 -4.751 -1.617 196 HD2 PHE 22 HD2 PHE 22 -3.804 -8.528 0.012 197 HE1 PHE 22 HE1 PHE 22 -0.439 -5.120 -1.031 198 HE2 PHE 22 HE2 PHE 22 -1.460 -8.914 0.601 199 HZ PHE 22 HZ PHE 22 0.207 -7.203 0.076 200 H GLU 23 H GLU 23 -7.564 -4.598 0.899 201 HA GLU 23 HA GLU 23 -9.303 -3.824 -1.318 202 HB2 GLU 23 HB2 GLU 23 -10.474 -5.718 -1.030 203 HB3 GLU 23 HB3 GLU 23 -9.402 -6.199 0.291 204 HG2 GLU 23 HG2 GLU 23 -10.772 -4.818 1.849 205 HG3 GLU 23 HG3 GLU 23 -11.876 -4.506 0.512 206 H ARG 24 H ARG 24 -11.190 -2.768 -0.673 207 HA ARG 24 HA ARG 24 -10.912 -1.308 1.832 208 HB2 ARG 24 HB2 ARG 24 -11.300 0.118 -0.053 209 HB3 ARG 24 HB3 ARG 24 -12.704 -0.828 -0.543 210 HG2 ARG 24 HG2 ARG 24 -13.504 -0.292 1.855 211 HG3 ARG 24 HG3 ARG 24 -12.375 1.064 1.719 212 HD2 ARG 24 HD2 ARG 24 -14.047 0.715 -0.643 213 HD3 ARG 24 HD3 ARG 24 -14.999 0.993 0.812 214 HE ARG 24 HE ARG 24 -14.163 3.129 0.960 215 HH11 ARG 24 HH11 ARG 24 -12.595 1.413 -1.663 216 HH12 ARG 24 HH12 ARG 24 -11.903 2.845 -2.347 217 HH21 ARG 24 HH21 ARG 24 -13.246 5.009 0.052 218 HH22 ARG 24 HH22 ARG 24 -12.271 4.885 -1.375 219 HA PRO 25 HA PRO 25 -12.922 -4.928 3.473 220 HB2 PRO 25 HB2 PRO 25 -13.446 -3.034 5.545 221 HB3 PRO 25 HB3 PRO 25 -12.706 -4.601 5.621 222 HG2 PRO 25 HG2 PRO 25 -11.304 -2.230 5.658 223 HG3 PRO 25 HG3 PRO 25 -10.656 -3.763 5.237 224 HD2 PRO 25 HD2 PRO 25 -10.958 -1.557 3.522 225 HD3 PRO 25 HD3 PRO 25 -10.318 -3.171 3.198 226 H SER 26 H SER 26 -14.757 -5.715 3.703 227 HA SER 26 HA SER 26 -16.992 -4.810 2.453 228 HB2 SER 26 HB2 SER 26 -16.753 -6.792 4.614 229 HB3 SER 26 HB3 SER 26 -18.095 -6.676 3.468 230 HG SER 26 HG SER 26 -16.839 -7.457 1.882 231 H ASP 27 H ASP 27 -16.036 -4.635 5.639 232 HA ASP 27 HA ASP 27 -16.677 -3.262 7.332 233 HB2 ASP 27 HB2 ASP 27 -17.253 -1.372 6.462 234 HB3 ASP 27 HB3 ASP 27 -17.745 -2.179 4.978 235 H1 LYS 1 H1 LYS 1 -16.790 5.731 3.892 236 H2 LYS 1 H2 LYS 1 -17.753 4.754 2.861 237 H3 LYS 1 H3 LYS 1 -16.780 6.002 2.199 238 HA LYS 1 HA LYS 1 -15.867 3.793 1.878 239 HB2 LYS 1 HB2 LYS 1 -13.624 4.446 2.475 240 HB3 LYS 1 HB3 LYS 1 -14.509 5.886 1.995 241 HG2 LYS 1 HG2 LYS 1 -14.690 5.414 4.848 242 HG3 LYS 1 HG3 LYS 1 -13.018 5.545 4.300 243 HD2 LYS 1 HD2 LYS 1 -13.211 7.751 4.035 244 HD3 LYS 1 HD3 LYS 1 -14.664 7.561 3.057 245 HE2 LYS 1 HE2 LYS 1 -15.063 8.922 5.044 246 HE3 LYS 1 HE3 LYS 1 -16.029 7.450 5.044 247 HZ1 LYS 1 HZ1 LYS 1 -14.884 8.103 7.200 248 HZ2 LYS 1 HZ2 LYS 1 -13.442 7.605 6.471 249 HZ3 LYS 1 HZ3 LYS 1 -14.702 6.499 6.694 250 H LEU 2 H LEU 2 -14.288 2.251 3.024 251 HA LEU 2 HA LEU 2 -15.497 0.601 4.687 252 HB2 LEU 2 HB2 LEU 2 -13.499 -0.500 5.026 253 HB3 LEU 2 HB3 LEU 2 -13.328 0.316 3.495 254 HG LEU 2 HG LEU 2 -12.116 1.032 6.102 255 HD11 LEU 2 HD11 LEU 2 -10.676 -0.397 4.996 256 HD12 LEU 2 HD12 LEU 2 -10.167 1.219 4.440 257 HD13 LEU 2 HD13 LEU 2 -11.199 0.207 3.420 258 HD21 LEU 2 HD21 LEU 2 -13.155 2.901 4.946 259 HD22 LEU 2 HD22 LEU 2 -11.982 2.602 3.612 260 HD23 LEU 2 HD23 LEU 2 -11.412 3.045 5.218 261 HA PRO 3 HA PRO 3 -16.030 1.167 8.964 262 HB2 PRO 3 HB2 PRO 3 -13.952 -0.853 9.323 263 HB3 PRO 3 HB3 PRO 3 -15.599 -0.812 9.937 264 HG2 PRO 3 HG2 PRO 3 -14.929 -2.339 7.872 265 HG3 PRO 3 HG3 PRO 3 -16.500 -1.548 7.952 266 HD2 PRO 3 HD2 PRO 3 -14.138 -0.912 6.290 267 HD3 PRO 3 HD3 PRO 3 -15.835 -0.677 5.956 268 HA PRO 4 HA PRO 4 -13.268 3.594 11.314 269 HB2 PRO 4 HB2 PRO 4 -13.903 1.607 13.342 270 HB3 PRO 4 HB3 PRO 4 -13.915 3.342 13.438 271 HG2 PRO 4 HG2 PRO 4 -16.182 2.293 13.185 272 HG3 PRO 4 HG3 PRO 4 -15.750 3.484 11.970 273 HD2 PRO 4 HD2 PRO 4 -15.490 0.584 11.764 274 HD3 PRO 4 HD3 PRO 4 -16.371 1.682 10.740 275 H GLY 5 H GLY 5 -11.319 3.698 12.193 276 HA2 GLY 5 HA2 GLY 5 -9.175 3.045 12.699 277 HA3 GLY 5 HA3 GLY 5 -9.778 1.406 12.701 278 H TRP 6 H TRP 6 -10.838 1.796 9.870 279 HA TRP 6 HA TRP 6 -8.555 0.830 8.535 280 HB2 TRP 6 HB2 TRP 6 -11.350 1.403 7.795 281 HB3 TRP 6 HB3 TRP 6 -10.207 1.247 6.525 282 HD1 TRP 6 HD1 TRP 6 -12.711 -0.514 7.927 283 HE1 TRP 6 HE1 TRP 6 -12.399 -3.054 7.964 284 HE3 TRP 6 HE3 TRP 6 -7.851 -0.658 6.821 285 HZ2 TRP 6 HZ2 TRP 6 -10.265 -4.885 7.507 286 HZ3 TRP 6 HZ3 TRP 6 -6.724 -2.783 6.603 287 HH2 TRP 6 HH2 TRP 6 -7.866 -4.812 6.901 288 H GLU 7 H GLU 7 -7.546 1.709 6.755 289 HA GLU 7 HA GLU 7 -8.200 4.257 5.736 290 HB2 GLU 7 HB2 GLU 7 -5.949 5.291 6.274 291 HB3 GLU 7 HB3 GLU 7 -7.146 5.280 7.557 292 HG2 GLU 7 HG2 GLU 7 -6.038 3.454 8.657 293 HG3 GLU 7 HG3 GLU 7 -4.920 3.265 7.307 294 H LYS 8 H LYS 8 -8.050 3.684 3.759 295 HA LYS 8 HA LYS 8 -6.518 1.691 2.634 296 HB2 LYS 8 HB2 LYS 8 -8.388 3.180 1.484 297 HB3 LYS 8 HB3 LYS 8 -7.081 4.318 1.140 298 HG2 LYS 8 HG2 LYS 8 -5.866 2.493 -0.058 299 HG3 LYS 8 HG3 LYS 8 -7.290 1.479 0.148 300 HD2 LYS 8 HD2 LYS 8 -8.631 3.005 -1.141 301 HD3 LYS 8 HD3 LYS 8 -7.307 4.168 -1.214 302 HE2 LYS 8 HE2 LYS 8 -7.206 3.125 -3.288 303 HE3 LYS 8 HE3 LYS 8 -5.991 2.262 -2.347 304 HZ1 LYS 8 HZ1 LYS 8 -7.312 0.695 -3.555 305 HZ2 LYS 8 HZ2 LYS 8 -8.751 1.342 -2.944 306 HZ3 LYS 8 HZ3 LYS 8 -7.680 0.537 -1.911 307 H ARG 9 H ARG 9 -4.355 1.522 2.059 308 HA ARG 9 HA ARG 9 -2.695 3.965 2.088 309 HB2 ARG 9 HB2 ARG 9 -1.541 1.343 2.969 310 HB3 ARG 9 HB3 ARG 9 -1.002 2.973 3.340 311 HG2 ARG 9 HG2 ARG 9 -3.565 1.831 4.410 312 HG3 ARG 9 HG3 ARG 9 -2.017 1.655 5.235 313 HD2 ARG 9 HD2 ARG 9 -3.382 4.253 4.545 314 HD3 ARG 9 HD3 ARG 9 -3.218 3.557 6.143 315 HE ARG 9 HE ARG 9 -1.268 4.963 4.630 316 HH11 ARG 9 HH11 ARG 9 -1.766 2.717 7.287 317 HH12 ARG 9 HH12 ARG 9 -0.429 3.344 8.190 318 HH21 ARG 9 HH21 ARG 9 0.297 5.764 5.784 319 HH22 ARG 9 HH22 ARG 9 0.797 5.116 7.312 320 H CYS 10 H CYS 10 -0.742 3.862 0.757 321 HA CYS 10 HA CYS 10 -0.690 1.664 -1.172 322 HB2 CYS 10 HB2 CYS 10 -0.578 4.510 -2.150 323 HB3 CYS 10 HB3 CYS 10 -0.637 3.040 -3.108 324 H PHE 11 H PHE 11 1.235 0.826 -1.140 325 HA PHE 11 HA PHE 11 3.539 2.630 -0.881 326 HB2 PHE 11 HB2 PHE 11 4.785 0.925 0.260 327 HB3 PHE 11 HB3 PHE 11 3.217 1.046 1.061 328 HD1 PHE 11 HD2 PHE 11 5.273 -0.984 -1.265 329 HD2 PHE 11 HD1 PHE 11 1.722 -0.806 1.105 330 HE1 PHE 11 HE2 PHE 11 4.944 -3.410 -1.571 331 HE2 PHE 11 HE1 PHE 11 1.390 -3.232 0.794 332 HZ PHE 11 HZ PHE 11 3.002 -4.535 -0.546 333 H TYR 12 H TYR 12 5.183 2.414 -2.343 334 HA TYR 12 HA TYR 12 4.672 0.787 -4.693 335 HB2 TYR 12 HB2 TYR 12 6.477 3.055 -4.014 336 HB3 TYR 12 HB3 TYR 12 7.070 1.916 -5.223 337 HD1 TYR 12 HD2 TYR 12 5.842 1.593 -7.331 338 HD2 TYR 12 HD1 TYR 12 4.557 4.493 -4.495 339 HE1 TYR 12 HE2 TYR 12 4.555 2.644 -9.035 340 HE2 TYR 12 HE1 TYR 12 3.184 5.567 -6.171 341 HH TYR 12 HH TYR 12 2.445 4.130 -9.149 342 H PHE 13 H PHE 13 5.892 -1.047 -5.229 343 HA PHE 13 HA PHE 13 7.953 -1.788 -3.223 344 HB2 PHE 13 HB2 PHE 13 5.840 -3.260 -3.367 345 HB3 PHE 13 HB3 PHE 13 6.494 -3.814 -4.914 346 HD1 PHE 13 HD1 PHE 13 7.280 -3.477 -1.330 347 HD2 PHE 13 HD2 PHE 13 8.215 -5.475 -4.969 348 HE1 PHE 13 HE1 PHE 13 8.698 -5.039 -0.096 349 HE2 PHE 13 HE2 PHE 13 9.613 -7.077 -3.773 350 HZ PHE 13 HZ PHE 13 9.871 -6.870 -1.306 351 H ASN 14 H ASN 14 9.889 -1.846 -3.910 352 HA ASN 14 HA ASN 14 10.328 -1.817 -6.765 353 HB2 ASN 14 HB2 ASN 14 11.394 -0.134 -5.113 354 HB3 ASN 14 HB3 ASN 14 12.451 -1.412 -4.675 355 HD21 ASN 14 HD21 ASN 14 11.301 -0.922 -7.911 356 HD22 ASN 14 HD22 ASN 14 12.818 -0.477 -8.591 357 H ARG 15 H ARG 15 9.773 -4.165 -6.802 358 HA ARG 15 HA ARG 15 10.913 -6.129 -5.354 359 HB2 ARG 15 HB2 ARG 15 9.372 -7.061 -6.637 360 HB3 ARG 15 HB3 ARG 15 9.730 -6.045 -8.035 361 HG2 ARG 15 HG2 ARG 15 10.575 -7.872 -8.956 362 HG3 ARG 15 HG3 ARG 15 11.939 -7.665 -7.863 363 HD2 ARG 15 HD2 ARG 15 9.467 -9.309 -7.312 364 HD3 ARG 15 HD3 ARG 15 11.050 -9.950 -7.749 365 HE ARG 15 HE ARG 15 10.241 -8.860 -5.180 366 HH11 ARG 15 HH11 ARG 15 12.883 -9.968 -7.197 367 HH12 ARG 15 HH12 ARG 15 13.954 -10.223 -5.862 368 HH21 ARG 15 HH21 ARG 15 11.660 -9.192 -3.429 369 HH22 ARG 15 HH22 ARG 15 13.262 -9.783 -3.724 370 H ILE 16 H ILE 16 12.771 -4.105 -7.519 371 HA ILE 16 HA ILE 16 14.867 -5.854 -8.046 372 HB ILE 16 HB ILE 16 14.602 -2.912 -7.815 373 HG12 ILE 16 HG12 ILE 16 13.968 -3.130 -9.922 374 HG13 ILE 16 HG13 ILE 16 15.533 -3.761 -10.294 375 HG21 ILE 16 HG21 ILE 16 16.937 -2.893 -8.657 376 HG22 ILE 16 HG22 ILE 16 16.967 -4.636 -8.339 377 HG23 ILE 16 HG23 ILE 16 16.735 -3.503 -6.997 378 HD11 ILE 16 HD11 ILE 16 14.786 -5.887 -10.490 379 HD12 ILE 16 HD12 ILE 16 13.321 -5.009 -10.953 380 HD13 ILE 16 HD13 ILE 16 13.494 -5.649 -9.314 381 H THR 17 H THR 17 14.206 -3.398 -5.726 382 HA THR 17 HA THR 17 16.268 -4.219 -3.943 383 HB THR 17 HB THR 17 16.079 -2.109 -2.960 384 HG1 THR 17 HG1 THR 17 13.757 -2.053 -2.910 385 HG21 THR 17 HG21 THR 17 17.064 -2.319 -5.208 386 HG22 THR 17 HG22 THR 17 16.486 -0.695 -4.807 387 HG23 THR 17 HG23 THR 17 15.536 -1.748 -5.888 388 H GLY 18 H GLY 18 13.426 -5.237 -4.620 389 HA2 GLY 18 HA2 GLY 18 11.474 -5.783 -3.546 390 HA3 GLY 18 HA3 GLY 18 12.568 -6.765 -2.629 391 H LYS 19 H LYS 19 12.483 -3.280 -2.697 392 HA LYS 19 HA LYS 19 11.744 -3.253 0.116 393 HB2 LYS 19 HB2 LYS 19 13.227 -1.636 0.505 394 HB3 LYS 19 HB3 LYS 19 14.009 -2.328 -0.938 395 HG2 LYS 19 HG2 LYS 19 13.521 -0.550 -2.196 396 HG3 LYS 19 HG3 LYS 19 11.973 -0.272 -1.385 397 HD2 LYS 19 HD2 LYS 19 13.629 1.548 -0.999 398 HD3 LYS 19 HD3 LYS 19 13.075 0.771 0.484 399 HE2 LYS 19 HE2 LYS 19 15.387 0.959 0.766 400 HE3 LYS 19 HE3 LYS 19 15.146 -0.714 0.264 401 HZ1 LYS 19 HZ1 LYS 19 15.775 -0.110 -1.979 402 HZ2 LYS 19 HZ2 LYS 19 16.999 0.334 -0.899 403 HZ3 LYS 19 HZ3 LYS 19 15.961 1.511 -1.529 404 H ARG 20 H ARG 20 10.556 -1.342 0.856 405 HA ARG 20 HA ARG 20 8.589 -0.601 -1.176 406 HB2 ARG 20 HB2 ARG 20 6.811 -0.875 0.354 407 HB3 ARG 20 HB3 ARG 20 7.900 -2.268 0.586 408 HG2 ARG 20 HG2 ARG 20 8.745 -1.390 2.605 409 HG3 ARG 20 HG3 ARG 20 8.015 0.190 2.312 410 HD2 ARG 20 HD2 ARG 20 5.819 -0.686 2.629 411 HD3 ARG 20 HD3 ARG 20 6.423 -2.341 2.672 412 HE ARG 20 HE ARG 20 7.658 -1.519 4.762 413 HH11 ARG 20 HH11 ARG 20 4.486 -0.376 3.788 414 HH12 ARG 20 HH12 ARG 20 4.001 0.010 5.403 415 HH21 ARG 20 HH21 ARG 20 7.002 -1.012 6.880 416 HH22 ARG 20 HH22 ARG 20 5.425 -0.352 7.156 417 H GLN 21 H GLN 21 7.561 1.277 -1.180 418 HA GLN 21 HA GLN 21 8.546 3.467 0.525 419 HB2 GLN 21 HB2 GLN 21 7.810 3.716 -2.339 420 HB3 GLN 21 HB3 GLN 21 8.689 4.886 -1.360 421 HG2 GLN 21 HG2 GLN 21 10.178 2.488 -1.519 422 HG3 GLN 21 HG3 GLN 21 9.578 2.898 -3.079 423 HE21 GLN 21 HE21 GLN 21 9.878 5.213 -3.719 424 HE22 GLN 21 HE22 GLN 21 11.399 5.895 -3.322 425 H PHE 22 H PHE 22 6.931 5.341 0.384 426 HA PHE 22 HA PHE 22 4.189 4.354 -0.123 427 HB2 PHE 22 HB2 PHE 22 5.340 6.031 2.020 428 HB3 PHE 22 HB3 PHE 22 3.824 6.622 1.348 429 HD1 PHE 22 HD2 PHE 22 5.054 3.170 1.973 430 HD2 PHE 22 HD1 PHE 22 2.138 6.131 2.884 431 HE1 PHE 22 HE2 PHE 22 3.826 1.535 3.336 432 HE2 PHE 22 HE1 PHE 22 0.902 4.508 4.244 433 HZ PHE 22 HZ PHE 22 1.756 2.219 4.462 434 H GLU 23 H GLU 23 6.106 5.296 -1.958 435 HA GLU 23 HA GLU 23 4.878 7.612 -3.242 436 HB2 GLU 23 HB2 GLU 23 6.666 8.850 -2.678 437 HB3 GLU 23 HB3 GLU 23 7.397 7.455 -1.875 438 HG2 GLU 23 HG2 GLU 23 8.229 6.705 -4.136 439 HG3 GLU 23 HG3 GLU 23 7.688 8.265 -4.753 440 H ARG 24 H ARG 24 5.540 7.945 -5.356 441 HA ARG 24 HA ARG 24 6.375 5.518 -6.735 442 HB2 ARG 24 HB2 ARG 24 4.356 6.492 -7.613 443 HB3 ARG 24 HB3 ARG 24 5.136 8.061 -7.780 444 HG2 ARG 24 HG2 ARG 24 6.771 6.920 -9.283 445 HG3 ARG 24 HG3 ARG 24 5.654 5.545 -9.309 446 HD2 ARG 24 HD2 ARG 24 4.011 6.745 -10.402 447 HD3 ARG 24 HD3 ARG 24 4.655 8.299 -9.874 448 HE ARG 24 HE ARG 24 5.398 6.777 -12.194 449 HH11 ARG 24 HH11 ARG 24 6.411 9.274 -9.957 450 HH12 ARG 24 HH12 ARG 24 7.525 9.996 -11.067 451 HH21 ARG 24 HH21 ARG 24 6.882 7.740 -13.660 452 HH22 ARG 24 HH22 ARG 24 7.793 9.126 -13.166 453 HA PRO 25 HA PRO 25 10.407 7.115 -5.786 454 HB2 PRO 25 HB2 PRO 25 11.056 5.252 -7.861 455 HB3 PRO 25 HB3 PRO 25 11.680 5.398 -6.249 456 HG2 PRO 25 HG2 PRO 25 9.845 3.521 -6.981 457 HG3 PRO 25 HG3 PRO 25 10.045 4.107 -5.380 458 HD2 PRO 25 HD2 PRO 25 7.804 4.508 -7.095 459 HD3 PRO 25 HD3 PRO 25 8.035 4.902 -5.389 460 H SER 26 H SER 26 11.941 8.264 -6.552 461 HA SER 26 HA SER 26 11.662 10.370 -8.032 462 HB2 SER 26 HB2 SER 26 13.671 9.957 -6.854 463 HB3 SER 26 HB3 SER 26 14.091 8.678 -8.000 464 HG SER 26 HG SER 26 14.761 10.143 -9.384 465 H ASP 27 H ASP 27 12.553 7.386 -9.318 466 HA ASP 27 HA ASP 27 12.328 6.471 -11.372 467 HB2 ASP 27 HB2 ASP 27 10.297 6.975 -11.898 468 HB3 ASP 27 HB3 ASP 27 10.432 8.550 -11.120 Start of MODEL 6 1 H1 LYS 1 H1 LYS 1 5.816 4.624 -16.213 2 H2 LYS 1 H2 LYS 1 5.868 6.326 -15.998 3 H3 LYS 1 H3 LYS 1 4.358 5.514 -16.065 4 HA LYS 1 HA LYS 1 5.085 6.188 -13.834 5 HB2 LYS 1 HB2 LYS 1 4.410 4.050 -12.832 6 HB3 LYS 1 HB3 LYS 1 3.413 4.448 -14.223 7 HG2 LYS 1 HG2 LYS 1 5.515 2.913 -15.238 8 HG3 LYS 1 HG3 LYS 1 5.033 2.126 -13.733 9 HD2 LYS 1 HD2 LYS 1 2.646 2.310 -14.571 10 HD3 LYS 1 HD3 LYS 1 3.330 2.750 -16.134 11 HE2 LYS 1 HE2 LYS 1 3.942 0.218 -14.627 12 HE3 LYS 1 HE3 LYS 1 2.772 0.355 -15.935 13 HZ1 LYS 1 HZ1 LYS 1 4.754 -0.456 -16.885 14 HZ2 LYS 1 HZ2 LYS 1 5.712 0.690 -16.093 15 HZ3 LYS 1 HZ3 LYS 1 4.671 1.172 -17.336 16 H LEU 2 H LEU 2 6.222 5.118 -11.900 17 HA LEU 2 HA LEU 2 8.836 5.466 -11.939 18 HB2 LEU 2 HB2 LEU 2 8.981 4.506 -9.851 19 HB3 LEU 2 HB3 LEU 2 7.331 5.051 -9.993 20 HG LEU 2 HG LEU 2 8.368 2.278 -10.136 21 HD11 LEU 2 HD11 LEU 2 7.842 2.757 -7.934 22 HD12 LEU 2 HD12 LEU 2 6.318 2.099 -8.587 23 HD13 LEU 2 HD13 LEU 2 6.542 3.847 -8.425 24 HD21 LEU 2 HD21 LEU 2 6.328 1.540 -10.884 25 HD22 LEU 2 HD22 LEU 2 6.829 2.876 -11.930 26 HD23 LEU 2 HD23 LEU 2 5.597 3.131 -10.640 27 HA PRO 3 HA PRO 3 11.778 2.685 -13.533 28 HB2 PRO 3 HB2 PRO 3 12.488 2.095 -10.764 29 HB3 PRO 3 HB3 PRO 3 13.493 2.680 -12.084 30 HG2 PRO 3 HG2 PRO 3 12.652 4.304 -10.160 31 HG3 PRO 3 HG3 PRO 3 12.793 4.858 -11.826 32 HD2 PRO 3 HD2 PRO 3 10.377 4.198 -10.245 33 HD3 PRO 3 HD3 PRO 3 10.598 5.375 -11.516 34 HA PRO 4 HA PRO 4 11.044 -1.618 -13.613 35 HB2 PRO 4 HB2 PRO 4 13.912 -1.696 -13.135 36 HB3 PRO 4 HB3 PRO 4 12.957 -2.530 -14.322 37 HG2 PRO 4 HG2 PRO 4 14.213 -0.540 -15.199 38 HG3 PRO 4 HG3 PRO 4 12.476 -0.524 -15.453 39 HD2 PRO 4 HD2 PRO 4 13.950 0.761 -13.288 40 HD3 PRO 4 HD3 PRO 4 12.879 1.474 -14.460 41 H GLY 5 H GLY 5 10.933 -3.409 -12.441 42 HA2 GLY 5 HA2 GLY 5 10.944 -4.724 -10.552 43 HA3 GLY 5 HA3 GLY 5 12.107 -3.598 -9.894 44 H TRP 6 H TRP 6 10.198 -1.294 -10.381 45 HA TRP 6 HA TRP 6 8.973 -1.338 -7.849 46 HB2 TRP 6 HB2 TRP 6 9.091 0.550 -10.108 47 HB3 TRP 6 HB3 TRP 6 7.848 0.780 -8.946 48 HD1 TRP 6 HD1 TRP 6 10.843 2.100 -9.817 49 HE1 TRP 6 HE1 TRP 6 12.257 3.007 -7.899 50 HE3 TRP 6 HE3 TRP 6 8.287 0.134 -6.043 51 HZ2 TRP 6 HZ2 TRP 6 12.186 2.909 -5.074 52 HZ3 TRP 6 HZ3 TRP 6 8.952 0.581 -3.774 53 HH2 TRP 6 HH2 TRP 6 10.796 1.931 -3.287 54 H GLU 7 H GLU 7 6.805 -1.190 -7.373 55 HA GLU 7 HA GLU 7 4.816 -1.349 -9.381 56 HB2 GLU 7 HB2 GLU 7 3.800 -3.493 -8.498 57 HB3 GLU 7 HB3 GLU 7 5.184 -3.650 -9.564 58 HG2 GLU 7 HG2 GLU 7 6.634 -4.134 -7.708 59 HG3 GLU 7 HG3 GLU 7 5.339 -3.798 -6.558 60 H LYS 8 H LYS 8 3.667 0.166 -8.592 61 HA LYS 8 HA LYS 8 3.391 0.983 -5.973 62 HB2 LYS 8 HB2 LYS 8 2.429 2.126 -8.162 63 HB3 LYS 8 HB3 LYS 8 1.043 1.054 -7.954 64 HG2 LYS 8 HG2 LYS 8 1.388 2.255 -5.443 65 HG3 LYS 8 HG3 LYS 8 1.614 3.543 -6.626 66 HD2 LYS 8 HD2 LYS 8 -0.699 1.636 -6.790 67 HD3 LYS 8 HD3 LYS 8 -0.763 3.092 -5.796 68 HE2 LYS 8 HE2 LYS 8 -1.631 3.930 -7.730 69 HE3 LYS 8 HE3 LYS 8 0.079 4.221 -8.037 70 HZ1 LYS 8 HZ1 LYS 8 -1.331 3.103 -9.847 71 HZ2 LYS 8 HZ2 LYS 8 -1.188 1.704 -8.909 72 HZ3 LYS 8 HZ3 LYS 8 0.198 2.462 -9.513 73 H ARG 9 H ARG 9 2.377 0.081 -4.220 74 HA ARG 9 HA ARG 9 0.340 -2.010 -4.671 75 HB2 ARG 9 HB2 ARG 9 2.806 -2.583 -3.773 76 HB3 ARG 9 HB3 ARG 9 2.042 -2.179 -2.242 77 HG2 ARG 9 HG2 ARG 9 1.536 -4.368 -2.246 78 HG3 ARG 9 HG3 ARG 9 0.182 -3.830 -3.240 79 HD2 ARG 9 HD2 ARG 9 1.394 -5.793 -4.182 80 HD3 ARG 9 HD3 ARG 9 1.381 -4.409 -5.255 81 HE ARG 9 HE ARG 9 3.602 -4.296 -5.085 82 HH11 ARG 9 HH11 ARG 9 2.457 -6.296 -2.434 83 HH12 ARG 9 HH12 ARG 9 4.004 -7.035 -2.198 84 HH21 ARG 9 HH21 ARG 9 5.451 -5.282 -4.844 85 HH22 ARG 9 HH22 ARG 9 5.768 -6.435 -3.590 86 H CYS 10 H CYS 10 -1.457 -2.002 -3.305 87 HA CYS 10 HA CYS 10 -1.452 0.009 -1.163 88 HB2 CYS 10 HB2 CYS 10 -3.834 -0.297 -2.983 89 HB3 CYS 10 HB3 CYS 10 -3.555 0.929 -1.760 90 H PHE 11 H PHE 11 -2.020 -0.772 0.693 91 HA PHE 11 HA PHE 11 -3.997 -2.932 0.768 92 HB2 PHE 11 HB2 PHE 11 -2.860 -4.043 2.594 93 HB3 PHE 11 HB3 PHE 11 -1.694 -3.800 1.290 94 HD1 PHE 11 HD1 PHE 11 -2.861 -2.491 4.542 95 HD2 PHE 11 HD2 PHE 11 0.298 -2.593 1.690 96 HE1 PHE 11 HE1 PHE 11 -1.364 -1.394 6.161 97 HE2 PHE 11 HE2 PHE 11 1.794 -1.488 3.303 98 HZ PHE 11 HZ PHE 11 0.963 -0.888 5.540 99 H TYR 12 H TYR 12 -5.635 -2.634 2.211 100 HA TYR 12 HA TYR 12 -5.868 -0.087 3.541 101 HB2 TYR 12 HB2 TYR 12 -7.651 -2.427 3.055 102 HB3 TYR 12 HB3 TYR 12 -7.985 -1.487 4.507 103 HD1 TYR 12 HD1 TYR 12 -8.571 0.903 4.318 104 HD2 TYR 12 HD2 TYR 12 -8.063 -1.471 0.842 105 HE1 TYR 12 HE1 TYR 12 -9.751 2.536 3.067 106 HE2 TYR 12 HE2 TYR 12 -9.229 0.173 -0.480 107 HH TYR 12 HH TYR 12 -9.954 3.310 0.707 108 H PHE 13 H PHE 13 -5.660 0.255 5.786 109 HA PHE 13 HA PHE 13 -4.862 -2.150 7.341 110 HB2 PHE 13 HB2 PHE 13 -3.002 -0.444 6.867 111 HB3 PHE 13 HB3 PHE 13 -3.857 0.615 7.995 112 HD1 PHE 13 HD2 PHE 13 -2.281 -2.685 7.654 113 HD2 PHE 13 HD1 PHE 13 -3.634 0.289 10.352 114 HE1 PHE 13 HE2 PHE 13 -1.153 -3.842 9.477 115 HE2 PHE 13 HE1 PHE 13 -2.500 -0.825 12.199 116 HZ PHE 13 HZ PHE 13 -1.244 -2.917 11.772 117 H ASN 14 H ASN 14 -6.205 -2.628 8.839 118 HA ASN 14 HA ASN 14 -8.099 -0.632 9.705 119 HB2 ASN 14 HB2 ASN 14 -8.845 -2.952 9.008 120 HB3 ASN 14 HB3 ASN 14 -8.116 -3.555 10.443 121 HD21 ASN 14 HD21 ASN 14 -9.956 -0.635 9.964 122 HD22 ASN 14 HD22 ASN 14 -11.211 -1.015 11.081 123 H ARG 15 H ARG 15 -6.225 0.424 10.776 124 HA ARG 15 HA ARG 15 -4.599 -0.538 12.671 125 HB2 ARG 15 HB2 ARG 15 -3.982 1.564 12.654 126 HB3 ARG 15 HB3 ARG 15 -5.540 2.089 12.026 127 HG2 ARG 15 HG2 ARG 15 -6.427 2.191 14.301 128 HG3 ARG 15 HG3 ARG 15 -4.860 1.672 14.929 129 HD2 ARG 15 HD2 ARG 15 -5.107 4.100 15.101 130 HD3 ARG 15 HD3 ARG 15 -3.816 3.674 13.977 131 HE ARG 15 HE ARG 15 -5.000 4.667 12.298 132 HH11 ARG 15 HH11 ARG 15 -7.182 4.105 14.980 133 HH12 ARG 15 HH12 ARG 15 -8.493 4.968 14.251 134 HH21 ARG 15 HH21 ARG 15 -6.730 5.801 11.346 135 HH22 ARG 15 HH22 ARG 15 -8.238 5.931 12.188 136 H ILE 16 H ILE 16 -8.082 -0.417 13.176 137 HA ILE 16 HA ILE 16 -8.086 -0.409 15.947 138 HB ILE 16 HB ILE 16 -9.888 -1.507 13.866 139 HG12 ILE 16 HG12 ILE 16 -10.704 0.545 13.896 140 HG13 ILE 16 HG13 ILE 16 -11.079 0.367 15.574 141 HG21 ILE 16 HG21 ILE 16 -9.944 -2.956 15.733 142 HG22 ILE 16 HG22 ILE 16 -11.409 -1.942 15.773 143 HG23 ILE 16 HG23 ILE 16 -10.038 -1.579 16.835 144 HD11 ILE 16 HD11 ILE 16 -9.416 1.720 16.229 145 HD12 ILE 16 HD12 ILE 16 -9.612 2.350 14.587 146 HD13 ILE 16 HD13 ILE 16 -8.335 1.179 14.945 147 H THR 17 H THR 17 -8.167 -2.817 13.483 148 HA THR 17 HA THR 17 -7.425 -4.898 15.281 149 HB THR 17 HB THR 17 -8.473 -6.401 13.848 150 HG1 THR 17 HG1 THR 17 -7.546 -5.374 11.921 151 HG21 THR 17 HG21 THR 17 -10.046 -3.844 13.738 152 HG22 THR 17 HG22 THR 17 -9.877 -4.888 15.157 153 HG23 THR 17 HG23 THR 17 -10.676 -5.512 13.706 154 H GLY 18 H GLY 18 -5.867 -2.750 13.919 155 HA2 GLY 18 HA2 GLY 18 -4.090 -2.431 12.512 156 HA3 GLY 18 HA3 GLY 18 -3.353 -3.608 13.545 157 H LYS 19 H LYS 19 -6.060 -4.298 11.543 158 HA LYS 19 HA LYS 19 -4.831 -6.448 10.199 159 HB2 LYS 19 HB2 LYS 19 -7.449 -5.179 10.298 160 HB3 LYS 19 HB3 LYS 19 -7.047 -6.056 8.825 161 HG2 LYS 19 HG2 LYS 19 -6.370 -7.934 10.325 162 HG3 LYS 19 HG3 LYS 19 -7.229 -7.056 11.618 163 HD2 LYS 19 HD2 LYS 19 -8.967 -8.334 10.871 164 HD3 LYS 19 HD3 LYS 19 -9.110 -7.015 9.706 165 HE2 LYS 19 HE2 LYS 19 -7.556 -9.557 9.238 166 HE3 LYS 19 HE3 LYS 19 -9.203 -9.276 8.675 167 HZ1 LYS 19 HZ1 LYS 19 -7.865 -8.747 6.863 168 HZ2 LYS 19 HZ2 LYS 19 -6.710 -7.948 7.804 169 HZ3 LYS 19 HZ3 LYS 19 -8.220 -7.234 7.534 170 H ARG 20 H ARG 20 -4.754 -6.772 7.948 171 HA ARG 20 HA ARG 20 -4.630 -4.366 6.349 172 HB2 ARG 20 HB2 ARG 20 -2.585 -4.848 5.318 173 HB3 ARG 20 HB3 ARG 20 -2.356 -5.017 7.085 174 HG2 ARG 20 HG2 ARG 20 -2.853 -7.542 6.597 175 HG3 ARG 20 HG3 ARG 20 -2.344 -7.107 4.963 176 HD2 ARG 20 HD2 ARG 20 -0.230 -6.267 5.832 177 HD3 ARG 20 HD3 ARG 20 -0.741 -6.642 7.477 178 HE ARG 20 HE ARG 20 -0.922 -9.024 6.175 179 HH11 ARG 20 HH11 ARG 20 1.645 -6.678 6.591 180 HH12 ARG 20 HH12 ARG 20 2.906 -7.861 6.507 181 HH21 ARG 20 HH21 ARG 20 0.746 -10.578 6.068 182 HH22 ARG 20 HH22 ARG 20 2.397 -10.074 6.210 183 H GLN 21 H GLN 21 -5.304 -4.464 4.385 184 HA GLN 21 HA GLN 21 -6.050 -7.047 3.204 185 HB2 GLN 21 HB2 GLN 21 -7.721 -4.601 3.135 186 HB3 GLN 21 HB3 GLN 21 -8.216 -6.243 2.725 187 HG2 GLN 21 HG2 GLN 21 -7.403 -6.143 5.436 188 HG3 GLN 21 HG3 GLN 21 -8.437 -4.806 5.100 189 HE21 GLN 21 HE21 GLN 21 -10.460 -5.355 3.903 190 HE22 GLN 21 HE22 GLN 21 -11.247 -6.795 4.401 191 H PHE 22 H PHE 22 -6.574 -6.702 0.830 192 HA PHE 22 HA PHE 22 -5.031 -4.434 -0.282 193 HB2 PHE 22 HB2 PHE 22 -5.329 -7.271 -1.098 194 HB3 PHE 22 HB3 PHE 22 -5.372 -6.098 -2.408 195 HD1 PHE 22 HD2 PHE 22 -3.397 -6.080 0.738 196 HD2 PHE 22 HD1 PHE 22 -3.322 -6.310 -3.498 197 HE1 PHE 22 HE2 PHE 22 -0.955 -5.956 0.779 198 HE2 PHE 22 HE1 PHE 22 -0.881 -6.187 -3.467 199 HZ PHE 22 HZ PHE 22 0.286 -6.011 -1.327 200 H GLU 23 H GLU 23 -7.684 -4.537 0.772 201 HA GLU 23 HA GLU 23 -9.415 -3.623 -1.393 202 HB2 GLU 23 HB2 GLU 23 -10.629 -5.499 -1.172 203 HB3 GLU 23 HB3 GLU 23 -9.562 -6.059 0.121 204 HG2 GLU 23 HG2 GLU 23 -10.887 -4.741 1.754 205 HG3 GLU 23 HG3 GLU 23 -11.976 -4.293 0.444 206 H ARG 24 H ARG 24 -11.263 -2.548 -0.680 207 HA ARG 24 HA ARG 24 -10.921 -1.197 1.879 208 HB2 ARG 24 HB2 ARG 24 -11.255 0.301 0.042 209 HB3 ARG 24 HB3 ARG 24 -12.694 -0.574 -0.476 210 HG2 ARG 24 HG2 ARG 24 -13.488 -0.080 1.923 211 HG3 ARG 24 HG3 ARG 24 -12.294 1.225 1.848 212 HD2 ARG 24 HD2 ARG 24 -13.995 1.002 -0.525 213 HD3 ARG 24 HD3 ARG 24 -14.893 1.362 0.946 214 HE ARG 24 HE ARG 24 -13.902 3.428 1.048 215 HH11 ARG 24 HH11 ARG 24 -12.454 1.562 -1.539 216 HH12 ARG 24 HH12 ARG 24 -11.660 2.929 -2.243 217 HH21 ARG 24 HH21 ARG 24 -12.854 5.223 0.111 218 HH22 ARG 24 HH22 ARG 24 -11.886 5.005 -1.309 219 HA PRO 25 HA PRO 25 -13.055 -4.806 3.389 220 HB2 PRO 25 HB2 PRO 25 -13.466 -3.007 5.568 221 HB3 PRO 25 HB3 PRO 25 -12.786 -4.601 5.543 222 HG2 PRO 25 HG2 PRO 25 -11.302 -2.290 5.680 223 HG3 PRO 25 HG3 PRO 25 -10.716 -3.823 5.171 224 HD2 PRO 25 HD2 PRO 25 -10.972 -1.512 3.575 225 HD3 PRO 25 HD3 PRO 25 -10.379 -3.121 3.157 226 H SER 26 H SER 26 -14.915 -5.536 3.623 227 HA SER 26 HA SER 26 -17.128 -4.518 2.436 228 HB2 SER 26 HB2 SER 26 -16.944 -6.540 4.564 229 HB3 SER 26 HB3 SER 26 -18.296 -6.350 3.439 230 HG SER 26 HG SER 26 -17.206 -7.400 1.965 231 H ASP 27 H ASP 27 -16.128 -4.425 5.612 232 HA ASP 27 HA ASP 27 -16.695 -3.046 7.328 233 HB2 ASP 27 HB2 ASP 27 -17.220 -1.128 6.482 234 HB3 ASP 27 HB3 ASP 27 -17.761 -1.903 5.000 235 H1 LYS 1 H1 LYS 1 -17.586 4.940 2.815 236 H2 LYS 1 H2 LYS 1 -16.574 6.181 2.198 237 H3 LYS 1 H3 LYS 1 -16.643 5.888 3.888 238 HA LYS 1 HA LYS 1 -15.692 3.953 1.884 239 HB2 LYS 1 HB2 LYS 1 -13.441 4.554 2.654 240 HB3 LYS 1 HB3 LYS 1 -14.261 5.941 1.954 241 HG2 LYS 1 HG2 LYS 1 -14.715 5.813 4.798 242 HG3 LYS 1 HG3 LYS 1 -12.990 5.794 4.427 243 HD2 LYS 1 HD2 LYS 1 -13.811 7.734 2.747 244 HD3 LYS 1 HD3 LYS 1 -14.992 7.930 4.041 245 HE2 LYS 1 HE2 LYS 1 -12.003 7.898 4.391 246 HE3 LYS 1 HE3 LYS 1 -13.006 9.343 4.331 247 HZ1 LYS 1 HZ1 LYS 1 -12.533 7.547 6.511 248 HZ2 LYS 1 HZ2 LYS 1 -14.183 7.816 6.255 249 HZ3 LYS 1 HZ3 LYS 1 -13.146 9.124 6.528 250 H LEU 2 H LEU 2 -14.170 2.377 3.046 251 HA LEU 2 HA LEU 2 -15.441 0.751 4.701 252 HB2 LEU 2 HB2 LEU 2 -13.485 -0.413 5.026 253 HB3 LEU 2 HB3 LEU 2 -13.264 0.426 3.514 254 HG LEU 2 HG LEU 2 -12.048 1.023 6.145 255 HD11 LEU 2 HD11 LEU 2 -11.134 0.316 3.422 256 HD12 LEU 2 HD12 LEU 2 -10.639 -0.389 4.964 257 HD13 LEU 2 HD13 LEU 2 -10.082 1.244 4.500 258 HD21 LEU 2 HD21 LEU 2 -11.829 2.721 3.751 259 HD22 LEU 2 HD22 LEU 2 -11.342 3.074 5.410 260 HD23 LEU 2 HD23 LEU 2 -13.067 2.959 5.019 261 HA PRO 3 HA PRO 3 -15.946 1.359 8.976 262 HB2 PRO 3 HB2 PRO 3 -13.941 -0.722 9.379 263 HB3 PRO 3 HB3 PRO 3 -15.598 -0.627 9.961 264 HG2 PRO 3 HG2 PRO 3 -14.933 -2.197 7.921 265 HG3 PRO 3 HG3 PRO 3 -16.481 -1.359 7.967 266 HD2 PRO 3 HD2 PRO 3 -14.065 -0.791 6.348 267 HD3 PRO 3 HD3 PRO 3 -15.752 -0.539 5.970 268 HA PRO 4 HA PRO 4 -13.087 3.723 11.282 269 HB2 PRO 4 HB2 PRO 4 -13.806 1.801 13.344 270 HB3 PRO 4 HB3 PRO 4 -13.746 3.536 13.409 271 HG2 PRO 4 HG2 PRO 4 -16.055 2.576 13.174 272 HG3 PRO 4 HG3 PRO 4 -15.574 3.727 11.939 273 HD2 PRO 4 HD2 PRO 4 -15.437 0.815 11.781 274 HD3 PRO 4 HD3 PRO 4 -16.269 1.934 10.739 275 H GLY 5 H GLY 5 -11.124 3.751 12.144 276 HA2 GLY 5 HA2 GLY 5 -9.015 2.995 12.663 277 HA3 GLY 5 HA3 GLY 5 -9.707 1.391 12.705 278 H TRP 6 H TRP 6 -10.748 1.797 9.859 279 HA TRP 6 HA TRP 6 -8.508 0.680 8.538 280 HB2 TRP 6 HB2 TRP 6 -11.291 1.309 7.830 281 HB3 TRP 6 HB3 TRP 6 -10.174 1.146 6.538 282 HD1 TRP 6 HD1 TRP 6 -12.673 -0.570 7.992 283 HE1 TRP 6 HE1 TRP 6 -12.415 -3.117 8.029 284 HE3 TRP 6 HE3 TRP 6 -7.867 -0.791 6.737 285 HZ2 TRP 6 HZ2 TRP 6 -10.312 -4.993 7.516 286 HZ3 TRP 6 HZ3 TRP 6 -6.792 -2.946 6.471 287 HH2 TRP 6 HH2 TRP 6 -7.942 -4.957 6.806 288 H GLU 7 H GLU 7 -7.208 1.599 7.034 289 HA GLU 7 HA GLU 7 -7.920 4.152 5.918 290 HB2 GLU 7 HB2 GLU 7 -5.268 3.897 7.336 291 HB3 GLU 7 HB3 GLU 7 -5.881 5.294 6.468 292 HG2 GLU 7 HG2 GLU 7 -7.466 4.283 8.767 293 HG3 GLU 7 HG3 GLU 7 -5.958 5.127 9.104 294 H LYS 8 H LYS 8 -7.833 3.619 3.912 295 HA LYS 8 HA LYS 8 -6.401 1.602 2.706 296 HB2 LYS 8 HB2 LYS 8 -8.199 3.227 1.617 297 HB3 LYS 8 HB3 LYS 8 -6.834 4.303 1.303 298 HG2 LYS 8 HG2 LYS 8 -5.727 2.525 -0.003 299 HG3 LYS 8 HG3 LYS 8 -7.128 1.489 0.253 300 HD2 LYS 8 HD2 LYS 8 -8.523 3.292 -0.818 301 HD3 LYS 8 HD3 LYS 8 -7.014 4.097 -1.249 302 HE2 LYS 8 HE2 LYS 8 -6.411 1.754 -2.256 303 HE3 LYS 8 HE3 LYS 8 -8.160 1.533 -2.260 304 HZ1 LYS 8 HZ1 LYS 8 -6.574 3.575 -3.701 305 HZ2 LYS 8 HZ2 LYS 8 -8.243 3.731 -3.479 306 HZ3 LYS 8 HZ3 LYS 8 -7.626 2.417 -4.346 307 H ARG 9 H ARG 9 -4.227 1.353 2.186 308 HA ARG 9 HA ARG 9 -2.478 3.731 2.316 309 HB2 ARG 9 HB2 ARG 9 -2.470 1.918 4.267 310 HB3 ARG 9 HB3 ARG 9 -1.405 1.077 3.149 311 HG2 ARG 9 HG2 ARG 9 0.166 2.859 3.179 312 HG3 ARG 9 HG3 ARG 9 -0.953 3.909 4.051 313 HD2 ARG 9 HD2 ARG 9 0.311 1.387 5.114 314 HD3 ARG 9 HD3 ARG 9 0.720 3.025 5.578 315 HE ARG 9 HE ARG 9 -1.534 1.477 6.385 316 HH11 ARG 9 HH11 ARG 9 -0.166 4.708 6.182 317 HH12 ARG 9 HH12 ARG 9 -0.933 5.226 7.645 318 HH21 ARG 9 HH21 ARG 9 -2.384 2.105 8.207 319 HH22 ARG 9 HH22 ARG 9 -2.248 3.716 8.828 320 H CYS 10 H CYS 10 -0.664 3.762 0.909 321 HA CYS 10 HA CYS 10 -0.428 1.516 -0.958 322 HB2 CYS 10 HB2 CYS 10 -0.547 4.337 -2.009 323 HB3 CYS 10 HB3 CYS 10 -0.483 2.845 -2.928 324 H PHE 11 H PHE 11 1.566 0.845 -0.838 325 HA PHE 11 HA PHE 11 3.716 2.847 -0.759 326 HB2 PHE 11 HB2 PHE 11 5.132 1.298 0.437 327 HB3 PHE 11 HB3 PHE 11 3.596 1.405 1.299 328 HD1 PHE 11 HD2 PHE 11 5.558 -0.682 -1.076 329 HD2 PHE 11 HD1 PHE 11 2.311 -0.534 1.703 330 HE1 PHE 11 HE2 PHE 11 5.364 -3.140 -1.168 331 HE2 PHE 11 HE1 PHE 11 2.118 -2.994 1.606 332 HZ PHE 11 HZ PHE 11 3.644 -4.297 0.169 333 H TYR 12 H TYR 12 5.317 2.670 -2.301 334 HA TYR 12 HA TYR 12 4.807 0.881 -4.520 335 HB2 TYR 12 HB2 TYR 12 6.543 3.251 -4.045 336 HB3 TYR 12 HB3 TYR 12 7.143 2.066 -5.208 337 HD1 TYR 12 HD1 TYR 12 5.820 1.542 -7.234 338 HD2 TYR 12 HD2 TYR 12 4.579 4.611 -4.561 339 HE1 TYR 12 HE1 TYR 12 4.416 2.420 -8.945 340 HE2 TYR 12 HE2 TYR 12 3.109 5.522 -6.259 341 HH TYR 12 HH TYR 12 2.060 3.965 -8.822 342 H PHE 13 H PHE 13 6.029 -0.957 -4.988 343 HA PHE 13 HA PHE 13 8.211 -1.530 -3.056 344 HB2 PHE 13 HB2 PHE 13 6.131 -3.061 -3.030 345 HB3 PHE 13 HB3 PHE 13 6.736 -3.677 -4.573 346 HD1 PHE 13 HD1 PHE 13 7.702 -3.100 -1.061 347 HD2 PHE 13 HD2 PHE 13 8.454 -5.337 -4.605 348 HE1 PHE 13 HE1 PHE 13 9.200 -4.566 0.196 349 HE2 PHE 13 HE2 PHE 13 9.933 -6.843 -3.381 350 HZ PHE 13 HZ PHE 13 10.324 -6.466 -0.952 351 H ASN 14 H ASN 14 10.114 -1.549 -3.843 352 HA ASN 14 HA ASN 14 10.402 -1.669 -6.711 353 HB2 ASN 14 HB2 ASN 14 11.535 0.104 -5.207 354 HB3 ASN 14 HB3 ASN 14 12.630 -1.138 -4.761 355 HD21 ASN 14 HD21 ASN 14 11.337 -0.909 -7.965 356 HD22 ASN 14 HD22 ASN 14 12.804 -0.451 -8.738 357 H ARG 15 H ARG 15 9.851 -4.001 -6.594 358 HA ARG 15 HA ARG 15 11.081 -5.893 -5.118 359 HB2 ARG 15 HB2 ARG 15 9.612 -7.075 -6.229 360 HB3 ARG 15 HB3 ARG 15 9.583 -5.943 -7.580 361 HG2 ARG 15 HG2 ARG 15 11.725 -7.058 -8.365 362 HG3 ARG 15 HG3 ARG 15 11.364 -8.321 -7.185 363 HD2 ARG 15 HD2 ARG 15 9.656 -7.458 -9.520 364 HD3 ARG 15 HD3 ARG 15 10.496 -8.998 -9.334 365 HE ARG 15 HE ARG 15 7.962 -8.255 -8.215 366 HH11 ARG 15 HH11 ARG 15 10.747 -10.337 -7.777 367 HH12 ARG 15 HH12 ARG 15 9.875 -11.508 -6.848 368 HH21 ARG 15 HH21 ARG 15 6.824 -9.802 -6.991 369 HH22 ARG 15 HH22 ARG 15 7.649 -11.206 -6.402 370 H ILE 16 H ILE 16 12.800 -3.981 -7.468 371 HA ILE 16 HA ILE 16 14.861 -5.762 -8.044 372 HB ILE 16 HB ILE 16 14.613 -2.811 -7.958 373 HG12 ILE 16 HG12 ILE 16 13.808 -3.160 -9.991 374 HG13 ILE 16 HG13 ILE 16 15.363 -3.757 -10.447 375 HG21 ILE 16 HG21 ILE 16 16.887 -2.855 -8.957 376 HG22 ILE 16 HG22 ILE 16 16.931 -4.579 -8.549 377 HG23 ILE 16 HG23 ILE 16 16.794 -3.375 -7.257 378 HD11 ILE 16 HD11 ILE 16 14.686 -5.920 -10.478 379 HD12 ILE 16 HD12 ILE 16 13.178 -5.106 -10.921 380 HD13 ILE 16 HD13 ILE 16 13.440 -5.652 -9.259 381 H THR 17 H THR 17 14.329 -3.183 -5.822 382 HA THR 17 HA THR 17 16.504 -3.903 -4.131 383 HB THR 17 HB THR 17 16.386 -1.745 -3.259 384 HG1 THR 17 HG1 THR 17 14.076 -1.688 -3.033 385 HG21 THR 17 HG21 THR 17 17.200 -2.065 -5.559 386 HG22 THR 17 HG22 THR 17 16.644 -0.424 -5.200 387 HG23 THR 17 HG23 THR 17 15.624 -1.532 -6.152 388 H GLY 18 H GLY 18 13.642 -4.971 -4.567 389 HA2 GLY 18 HA2 GLY 18 11.764 -5.467 -3.346 390 HA3 GLY 18 HA3 GLY 18 12.923 -6.374 -2.432 391 H LYS 19 H LYS 19 12.791 -2.900 -2.709 392 HA LYS 19 HA LYS 19 12.200 -2.710 0.134 393 HB2 LYS 19 HB2 LYS 19 13.669 -1.045 0.342 394 HB3 LYS 19 HB3 LYS 19 14.386 -1.814 -1.095 395 HG2 LYS 19 HG2 LYS 19 13.728 -0.151 -2.458 396 HG3 LYS 19 HG3 LYS 19 12.294 0.219 -1.490 397 HD2 LYS 19 HD2 LYS 19 15.063 0.799 -0.483 398 HD3 LYS 19 HD3 LYS 19 14.206 1.944 -1.517 399 HE2 LYS 19 HE2 LYS 19 12.616 0.938 0.727 400 HE3 LYS 19 HE3 LYS 19 14.046 1.847 1.213 401 HZ1 LYS 19 HZ1 LYS 19 12.289 2.951 -0.867 402 HZ2 LYS 19 HZ2 LYS 19 13.271 3.758 0.248 403 HZ3 LYS 19 HZ3 LYS 19 11.814 3.064 0.753 404 H ARG 20 H ARG 20 11.001 -0.791 0.831 405 HA ARG 20 HA ARG 20 8.903 -0.219 -1.126 406 HB2 ARG 20 HB2 ARG 20 7.231 -0.414 0.544 407 HB3 ARG 20 HB3 ARG 20 8.349 -1.789 0.746 408 HG2 ARG 20 HG2 ARG 20 9.385 0.191 2.390 409 HG3 ARG 20 HG3 ARG 20 7.638 0.306 2.605 410 HD2 ARG 20 HD2 ARG 20 8.443 -1.248 4.216 411 HD3 ARG 20 HD3 ARG 20 7.616 -2.175 2.965 412 HE ARG 20 HE ARG 20 10.469 -1.911 2.592 413 HH11 ARG 20 HH11 ARG 20 7.907 -3.843 3.998 414 HH12 ARG 20 HH12 ARG 20 8.856 -5.289 4.038 415 HH21 ARG 20 HH21 ARG 20 11.711 -3.820 2.647 416 HH22 ARG 20 HH22 ARG 20 11.015 -5.277 3.273 417 H GLN 21 H GLN 21 7.825 1.629 -1.202 418 HA GLN 21 HA GLN 21 8.827 3.950 0.310 419 HB2 GLN 21 HB2 GLN 21 7.939 3.983 -2.524 420 HB3 GLN 21 HB3 GLN 21 8.809 5.254 -1.669 421 HG2 GLN 21 HG2 GLN 21 10.394 2.917 -1.740 422 HG3 GLN 21 HG3 GLN 21 9.706 3.199 -3.292 423 HE21 GLN 21 HE21 GLN 21 9.848 5.503 -4.057 424 HE22 GLN 21 HE22 GLN 21 11.363 6.262 -3.797 425 H PHE 22 H PHE 22 7.141 5.781 0.081 426 HA PHE 22 HA PHE 22 4.412 4.670 -0.179 427 HB2 PHE 22 HB2 PHE 22 5.620 6.576 1.750 428 HB3 PHE 22 HB3 PHE 22 4.012 6.986 1.168 429 HD1 PHE 22 HD1 PHE 22 5.472 3.638 1.856 430 HD2 PHE 22 HD2 PHE 22 2.603 6.568 2.999 431 HE1 PHE 22 HE1 PHE 22 4.491 2.050 3.448 432 HE2 PHE 22 HE2 PHE 22 1.619 4.989 4.596 433 HZ PHE 22 HZ PHE 22 2.572 2.739 4.810 434 H GLU 23 H GLU 23 6.213 5.560 -2.177 435 HA GLU 23 HA GLU 23 4.810 7.715 -3.552 436 HB2 GLU 23 HB2 GLU 23 6.517 9.097 -3.114 437 HB3 GLU 23 HB3 GLU 23 7.382 7.800 -2.277 438 HG2 GLU 23 HG2 GLU 23 8.269 7.014 -4.448 439 HG3 GLU 23 HG3 GLU 23 7.454 8.366 -5.230 440 H ARG 24 H ARG 24 5.320 7.919 -5.711 441 HA ARG 24 HA ARG 24 6.275 5.476 -6.996 442 HB2 ARG 24 HB2 ARG 24 4.188 6.362 -7.846 443 HB3 ARG 24 HB3 ARG 24 4.928 7.933 -8.132 444 HG2 ARG 24 HG2 ARG 24 6.580 6.600 -9.562 445 HG3 ARG 24 HG3 ARG 24 5.312 5.359 -9.577 446 HD2 ARG 24 HD2 ARG 24 4.320 8.052 -10.102 447 HD3 ARG 24 HD3 ARG 24 5.522 7.541 -11.281 448 HE ARG 24 HE ARG 24 4.081 5.926 -12.060 449 HH11 ARG 24 HH11 ARG 24 2.684 7.535 -9.278 450 HH12 ARG 24 HH12 ARG 24 1.098 6.902 -9.557 451 HH21 ARG 24 HH21 ARG 24 1.989 5.094 -12.418 452 HH22 ARG 24 HH22 ARG 24 0.702 5.517 -11.338 453 HA PRO 25 HA PRO 25 10.237 7.338 -6.273 454 HB2 PRO 25 HB2 PRO 25 11.002 5.360 -8.184 455 HB3 PRO 25 HB3 PRO 25 11.594 5.660 -6.580 456 HG2 PRO 25 HG2 PRO 25 9.929 3.615 -7.146 457 HG3 PRO 25 HG3 PRO 25 9.983 4.377 -5.615 458 HD2 PRO 25 HD2 PRO 25 7.872 4.495 -7.582 459 HD3 PRO 25 HD3 PRO 25 7.882 4.881 -5.858 460 H SER 26 H SER 26 11.519 8.643 -7.094 461 HA SER 26 HA SER 26 10.935 10.337 -9.099 462 HB2 SER 26 HB2 SER 26 12.476 10.874 -7.372 463 HB3 SER 26 HB3 SER 26 13.579 9.632 -7.987 464 HG SER 26 HG SER 26 13.829 12.037 -8.591 465 H ASP 27 H ASP 27 12.805 7.576 -9.135 466 HA ASP 27 HA ASP 27 13.409 6.175 -10.817 467 HB2 ASP 27 HB2 ASP 27 11.819 6.181 -12.279 468 HB3 ASP 27 HB3 ASP 27 11.395 7.832 -11.843 Start of MODEL 7 1 H1 LYS 1 H1 LYS 1 7.439 5.022 -17.304 2 H2 LYS 1 H2 LYS 1 6.623 6.319 -16.534 3 H3 LYS 1 H3 LYS 1 5.820 5.388 -17.730 4 HA LYS 1 HA LYS 1 5.171 4.893 -15.436 5 HB2 LYS 1 HB2 LYS 1 5.211 2.472 -15.806 6 HB3 LYS 1 HB3 LYS 1 4.842 3.331 -17.293 7 HG2 LYS 1 HG2 LYS 1 7.620 3.028 -17.286 8 HG3 LYS 1 HG3 LYS 1 6.972 1.488 -16.720 9 HD2 LYS 1 HD2 LYS 1 5.795 1.117 -18.685 10 HD3 LYS 1 HD3 LYS 1 5.789 2.824 -19.123 11 HE2 LYS 1 HE2 LYS 1 8.267 1.126 -19.042 12 HE3 LYS 1 HE3 LYS 1 7.288 1.355 -20.487 13 HZ1 LYS 1 HZ1 LYS 1 7.807 3.883 -19.460 14 HZ2 LYS 1 HZ2 LYS 1 8.429 3.198 -20.876 15 HZ3 LYS 1 HZ3 LYS 1 9.277 3.046 -19.421 16 H LEU 2 H LEU 2 5.776 3.184 -13.714 17 HA LEU 2 HA LEU 2 7.748 4.062 -12.059 18 HB2 LEU 2 HB2 LEU 2 6.575 1.363 -12.463 19 HB3 LEU 2 HB3 LEU 2 7.780 1.680 -11.247 20 HG LEU 2 HG LEU 2 5.099 3.018 -11.384 21 HD11 LEU 2 HD11 LEU 2 6.050 0.499 -10.397 22 HD12 LEU 2 HD12 LEU 2 4.401 1.111 -10.528 23 HD13 LEU 2 HD13 LEU 2 5.376 1.475 -9.088 24 HD21 LEU 2 HD21 LEU 2 7.502 3.669 -9.969 25 HD22 LEU 2 HD22 LEU 2 6.275 3.110 -8.830 26 HD23 LEU 2 HD23 LEU 2 5.925 4.469 -9.915 27 HA PRO 3 HA PRO 3 11.750 2.636 -13.353 28 HB2 PRO 3 HB2 PRO 3 12.386 2.394 -10.567 29 HB3 PRO 3 HB3 PRO 3 13.018 3.525 -11.759 30 HG2 PRO 3 HG2 PRO 3 11.401 4.338 -9.797 31 HG3 PRO 3 HG3 PRO 3 11.357 5.051 -11.396 32 HD2 PRO 3 HD2 PRO 3 9.487 3.015 -10.204 33 HD3 PRO 3 HD3 PRO 3 9.153 4.477 -11.132 34 HA PRO 4 HA PRO 4 11.928 -1.695 -13.165 35 HB2 PRO 4 HB2 PRO 4 14.633 -1.160 -12.234 36 HB3 PRO 4 HB3 PRO 4 14.057 -2.316 -13.398 37 HG2 PRO 4 HG2 PRO 4 15.030 -0.213 -14.393 38 HG3 PRO 4 HG3 PRO 4 13.392 -0.607 -14.881 39 HD2 PRO 4 HD2 PRO 4 14.227 1.259 -12.802 40 HD3 PRO 4 HD3 PRO 4 13.162 1.516 -14.155 41 H GLY 5 H GLY 5 11.524 -3.262 -11.937 42 HA2 GLY 5 HA2 GLY 5 11.235 -4.525 -10.056 43 HA3 GLY 5 HA3 GLY 5 12.376 -3.461 -9.275 44 H TRP 6 H TRP 6 10.457 -1.103 -10.055 45 HA TRP 6 HA TRP 6 9.061 -1.120 -7.574 46 HB2 TRP 6 HB2 TRP 6 9.360 0.764 -9.804 47 HB3 TRP 6 HB3 TRP 6 8.009 1.024 -8.755 48 HD1 TRP 6 HD1 TRP 6 11.078 2.317 -9.364 49 HE1 TRP 6 HE1 TRP 6 12.283 3.320 -7.378 50 HE3 TRP 6 HE3 TRP 6 8.290 0.303 -5.793 51 HZ2 TRP 6 HZ2 TRP 6 11.977 3.294 -4.569 52 HZ3 TRP 6 HZ3 TRP 6 8.766 0.828 -3.486 53 HH2 TRP 6 HH2 TRP 6 10.496 2.268 -2.877 54 H GLU 7 H GLU 7 6.902 -1.107 -7.202 55 HA GLU 7 HA GLU 7 4.985 -1.300 -9.324 56 HB2 GLU 7 HB2 GLU 7 5.524 -3.664 -7.502 57 HB3 GLU 7 HB3 GLU 7 3.968 -3.428 -8.280 58 HG2 GLU 7 HG2 GLU 7 6.562 -3.639 -9.789 59 HG3 GLU 7 HG3 GLU 7 5.520 -5.012 -9.429 60 H LYS 8 H LYS 8 3.290 -0.154 -8.704 61 HA LYS 8 HA LYS 8 3.175 0.854 -6.031 62 HB2 LYS 8 HB2 LYS 8 2.440 2.126 -8.196 63 HB3 LYS 8 HB3 LYS 8 1.000 1.099 -8.177 64 HG2 LYS 8 HG2 LYS 8 1.102 2.129 -5.594 65 HG3 LYS 8 HG3 LYS 8 1.567 3.476 -6.630 66 HD2 LYS 8 HD2 LYS 8 -0.859 1.766 -7.130 67 HD3 LYS 8 HD3 LYS 8 -0.898 3.256 -6.186 68 HE2 LYS 8 HE2 LYS 8 -0.638 4.582 -8.012 69 HE3 LYS 8 HE3 LYS 8 0.365 3.405 -8.858 70 HZ1 LYS 8 HZ1 LYS 8 -1.650 3.517 -10.032 71 HZ2 LYS 8 HZ2 LYS 8 -2.587 3.445 -8.626 72 HZ3 LYS 8 HZ3 LYS 8 -1.739 2.077 -9.148 73 H ARG 9 H ARG 9 2.334 -0.226 -4.393 74 HA ARG 9 HA ARG 9 0.020 -2.006 -4.829 75 HB2 ARG 9 HB2 ARG 9 2.499 -2.442 -3.181 76 HB3 ARG 9 HB3 ARG 9 1.000 -3.275 -2.791 77 HG2 ARG 9 HG2 ARG 9 1.060 -4.566 -4.687 78 HG3 ARG 9 HG3 ARG 9 2.042 -3.403 -5.580 79 HD2 ARG 9 HD2 ARG 9 3.196 -5.553 -4.840 80 HD3 ARG 9 HD3 ARG 9 4.010 -4.055 -4.441 81 HE ARG 9 HE ARG 9 3.733 -4.519 -2.279 82 HH11 ARG 9 HH11 ARG 9 1.508 -6.564 -4.072 83 HH12 ARG 9 HH12 ARG 9 1.317 -7.671 -2.754 84 HH21 ARG 9 HH21 ARG 9 3.556 -5.931 -0.725 85 HH22 ARG 9 HH22 ARG 9 2.495 -7.299 -0.785 86 H CYS 10 H CYS 10 -1.506 -2.143 -3.065 87 HA CYS 10 HA CYS 10 -1.127 -0.269 -0.868 88 HB2 CYS 10 HB2 CYS 10 -2.115 1.131 -2.635 89 HB3 CYS 10 HB3 CYS 10 -3.457 0.007 -2.781 90 H PHE 11 H PHE 11 -1.559 -1.359 0.874 91 HA PHE 11 HA PHE 11 -3.868 -3.174 0.861 92 HB2 PHE 11 HB2 PHE 11 -2.865 -4.451 2.658 93 HB3 PHE 11 HB3 PHE 11 -1.648 -4.249 1.394 94 HD1 PHE 11 HD2 PHE 11 -2.796 -2.999 4.669 95 HD2 PHE 11 HD1 PHE 11 0.416 -3.214 1.886 96 HE1 PHE 11 HE2 PHE 11 -1.258 -2.097 6.373 97 HE2 PHE 11 HE1 PHE 11 1.955 -2.308 3.580 98 HZ PHE 11 HZ PHE 11 1.117 -1.748 5.827 99 H TYR 12 H TYR 12 -5.510 -2.737 2.236 100 HA TYR 12 HA TYR 12 -5.547 -0.241 3.670 101 HB2 TYR 12 HB2 TYR 12 -7.513 -2.397 3.051 102 HB3 TYR 12 HB3 TYR 12 -7.800 -1.487 4.529 103 HD1 TYR 12 HD2 TYR 12 -8.170 0.959 4.416 104 HD2 TYR 12 HD1 TYR 12 -7.815 -1.336 0.869 105 HE1 TYR 12 HE2 TYR 12 -9.197 2.718 3.208 106 HE2 TYR 12 HE1 TYR 12 -8.803 0.454 -0.409 107 HH TYR 12 HH TYR 12 -9.304 3.594 0.907 108 H PHE 13 H PHE 13 -5.400 -0.019 5.937 109 HA PHE 13 HA PHE 13 -4.880 -2.556 7.394 110 HB2 PHE 13 HB2 PHE 13 -2.833 -1.035 7.047 111 HB3 PHE 13 HB3 PHE 13 -3.606 0.055 8.203 112 HD1 PHE 13 HD2 PHE 13 -2.319 -3.352 7.742 113 HD2 PHE 13 HD1 PHE 13 -3.552 -0.427 10.547 114 HE1 PHE 13 HE2 PHE 13 -1.382 -4.699 9.545 115 HE2 PHE 13 HE1 PHE 13 -2.602 -1.731 12.373 116 HZ PHE 13 HZ PHE 13 -1.507 -3.897 11.881 117 H ASN 14 H ASN 14 -6.337 -2.939 8.804 118 HA ASN 14 HA ASN 14 -7.996 -0.769 9.726 119 HB2 ASN 14 HB2 ASN 14 -8.936 -2.983 8.859 120 HB3 ASN 14 HB3 ASN 14 -8.437 -3.681 10.354 121 HD21 ASN 14 HD21 ASN 14 -10.946 -3.982 10.021 122 HD22 ASN 14 HD22 ASN 14 -11.905 -2.834 10.885 123 H ARG 15 H ARG 15 -6.063 -0.010 10.916 124 HA ARG 15 HA ARG 15 -4.616 -1.241 12.787 125 HB2 ARG 15 HB2 ARG 15 -3.798 0.789 12.882 126 HB3 ARG 15 HB3 ARG 15 -5.297 1.509 12.306 127 HG2 ARG 15 HG2 ARG 15 -6.151 1.696 14.522 128 HG3 ARG 15 HG3 ARG 15 -4.810 0.752 15.176 129 HD2 ARG 15 HD2 ARG 15 -4.421 3.101 15.612 130 HD3 ARG 15 HD3 ARG 15 -3.248 2.522 14.429 131 HE ARG 15 HE ARG 15 -4.168 3.921 12.863 132 HH11 ARG 15 HH11 ARG 15 -6.321 3.750 15.621 133 HH12 ARG 15 HH12 ARG 15 -7.332 5.039 15.065 134 HH21 ARG 15 HH21 ARG 15 -5.506 5.616 12.136 135 HH22 ARG 15 HH22 ARG 15 -6.871 6.098 13.086 136 H ILE 16 H ILE 16 -8.092 -0.743 13.264 137 HA ILE 16 HA ILE 16 -8.125 -0.938 16.026 138 HB ILE 16 HB ILE 16 -10.021 -1.672 13.870 139 HG12 ILE 16 HG12 ILE 16 -10.672 0.425 14.067 140 HG13 ILE 16 HG13 ILE 16 -10.956 0.212 15.759 141 HG21 ILE 16 HG21 ILE 16 -10.266 -3.232 15.627 142 HG22 ILE 16 HG22 ILE 16 -11.601 -2.057 15.742 143 HG23 ILE 16 HG23 ILE 16 -10.205 -1.936 16.826 144 HD11 ILE 16 HD11 ILE 16 -9.269 2.013 14.637 145 HD12 ILE 16 HD12 ILE 16 -8.174 0.706 15.108 146 HD13 ILE 16 HD13 ILE 16 -9.209 1.461 16.315 147 H THR 17 H THR 17 -8.458 -3.138 13.402 148 HA THR 17 HA THR 17 -8.018 -5.415 15.052 149 HB THR 17 HB THR 17 -9.189 -6.668 13.469 150 HG1 THR 17 HG1 THR 17 -8.103 -5.604 11.651 151 HG21 THR 17 HG21 THR 17 -10.432 -5.098 14.886 152 HG22 THR 17 HG22 THR 17 -11.267 -5.524 13.386 153 HG23 THR 17 HG23 THR 17 -10.453 -3.944 13.547 154 H GLY 18 H GLY 18 -6.171 -3.379 13.868 155 HA2 GLY 18 HA2 GLY 18 -4.327 -3.191 12.529 156 HA3 GLY 18 HA3 GLY 18 -3.765 -4.510 13.496 157 H LYS 19 H LYS 19 -6.478 -4.746 11.415 158 HA LYS 19 HA LYS 19 -5.551 -6.959 9.972 159 HB2 LYS 19 HB2 LYS 19 -7.913 -5.263 10.035 160 HB3 LYS 19 HB3 LYS 19 -7.581 -6.087 8.515 161 HG2 LYS 19 HG2 LYS 19 -7.463 -8.185 9.720 162 HG3 LYS 19 HG3 LYS 19 -7.928 -7.323 11.212 163 HD2 LYS 19 HD2 LYS 19 -10.016 -7.943 10.574 164 HD3 LYS 19 HD3 LYS 19 -9.888 -6.520 9.538 165 HE2 LYS 19 HE2 LYS 19 -10.638 -8.199 8.101 166 HE3 LYS 19 HE3 LYS 19 -8.905 -8.118 7.792 167 HZ1 LYS 19 HZ1 LYS 19 -9.957 -10.403 8.087 168 HZ2 LYS 19 HZ2 LYS 19 -10.026 -10.041 9.738 169 HZ3 LYS 19 HZ3 LYS 19 -8.532 -10.089 8.944 170 H ARG 20 H ARG 20 -5.384 -7.170 7.720 171 HA ARG 20 HA ARG 20 -4.842 -4.778 6.217 172 HB2 ARG 20 HB2 ARG 20 -2.778 -5.490 5.325 173 HB3 ARG 20 HB3 ARG 20 -2.703 -5.563 7.109 174 HG2 ARG 20 HG2 ARG 20 -3.535 -8.102 6.280 175 HG3 ARG 20 HG3 ARG 20 -2.228 -7.639 5.188 176 HD2 ARG 20 HD2 ARG 20 -1.956 -7.290 8.152 177 HD3 ARG 20 HD3 ARG 20 -1.656 -8.852 7.396 178 HE ARG 20 HE ARG 20 -0.204 -6.415 6.591 179 HH11 ARG 20 HH11 ARG 20 -0.186 -9.791 7.566 180 HH12 ARG 20 HH12 ARG 20 1.517 -9.968 7.326 181 HH21 ARG 20 HH21 ARG 20 2.034 -6.672 6.285 182 HH22 ARG 20 HH22 ARG 20 2.776 -8.204 6.603 183 H GLN 21 H GLN 21 -5.446 -4.805 4.228 184 HA GLN 21 HA GLN 21 -5.842 -7.262 2.781 185 HB2 GLN 21 HB2 GLN 21 -8.211 -5.837 2.443 186 HB3 GLN 21 HB3 GLN 21 -8.022 -7.444 3.067 187 HG2 GLN 21 HG2 GLN 21 -7.579 -6.314 5.288 188 HG3 GLN 21 HG3 GLN 21 -8.123 -4.857 4.520 189 HE21 GLN 21 HE21 GLN 21 -10.290 -5.131 3.394 190 HE22 GLN 21 HE22 GLN 21 -11.472 -5.990 4.290 191 H PHE 22 H PHE 22 -5.823 -6.849 0.515 192 HA PHE 22 HA PHE 22 -4.955 -4.175 -0.218 193 HB2 PHE 22 HB2 PHE 22 -5.475 -6.687 -1.818 194 HB3 PHE 22 HB3 PHE 22 -4.937 -5.184 -2.552 195 HD1 PHE 22 HD2 PHE 22 -2.809 -4.159 -1.118 196 HD2 PHE 22 HD1 PHE 22 -3.820 -8.255 -1.560 197 HE1 PHE 22 HE2 PHE 22 -0.490 -4.774 -0.664 198 HE2 PHE 22 HE1 PHE 22 -1.502 -8.880 -1.107 199 HZ PHE 22 HZ PHE 22 0.148 -7.133 -0.662 200 H GLU 23 H GLU 23 -7.522 -4.240 0.873 201 HA GLU 23 HA GLU 23 -9.278 -3.319 -1.263 202 HB2 GLU 23 HB2 GLU 23 -10.478 -5.194 -1.045 203 HB3 GLU 23 HB3 GLU 23 -9.471 -5.727 0.311 204 HG2 GLU 23 HG2 GLU 23 -10.829 -4.313 1.827 205 HG3 GLU 23 HG3 GLU 23 -11.869 -3.918 0.460 206 H ARG 24 H ARG 24 -10.998 -2.134 -0.648 207 HA ARG 24 HA ARG 24 -10.810 -0.841 1.965 208 HB2 ARG 24 HB2 ARG 24 -10.855 0.653 0.040 209 HB3 ARG 24 HB3 ARG 24 -12.372 -0.064 -0.504 210 HG2 ARG 24 HG2 ARG 24 -13.228 0.552 1.802 211 HG3 ARG 24 HG3 ARG 24 -11.836 1.648 1.874 212 HD2 ARG 24 HD2 ARG 24 -13.499 1.688 -0.579 213 HD3 ARG 24 HD3 ARG 24 -14.237 2.353 0.875 214 HE ARG 24 HE ARG 24 -12.713 4.090 0.857 215 HH11 ARG 24 HH11 ARG 24 -12.034 1.833 -1.740 216 HH12 ARG 24 HH12 ARG 24 -10.999 2.930 -2.588 217 HH21 ARG 24 HH21 ARG 24 -11.340 5.527 -0.273 218 HH22 ARG 24 HH22 ARG 24 -10.606 5.024 -1.758 219 HA PRO 25 HA PRO 25 -13.381 -4.295 3.006 220 HB2 PRO 25 HB2 PRO 25 -13.675 -2.813 5.428 221 HB3 PRO 25 HB3 PRO 25 -13.096 -4.428 5.158 222 HG2 PRO 25 HG2 PRO 25 -11.450 -2.375 5.720 223 HG3 PRO 25 HG3 PRO 25 -10.963 -3.733 4.808 224 HD2 PRO 25 HD2 PRO 25 -11.405 -1.024 3.876 225 HD3 PRO 25 HD3 PRO 25 -10.479 -2.364 3.188 226 H SER 26 H SER 26 -15.311 -4.847 3.161 227 HA SER 26 HA SER 26 -17.373 -3.522 2.045 228 HB2 SER 26 HB2 SER 26 -17.442 -5.656 4.067 229 HB3 SER 26 HB3 SER 26 -18.764 -5.249 2.966 230 HG SER 26 HG SER 26 -17.444 -7.057 2.270 231 H ASP 27 H ASP 27 -16.431 -3.696 5.234 232 HA ASP 27 HA ASP 27 -16.868 -2.354 7.012 233 HB2 ASP 27 HB2 ASP 27 -17.097 -0.346 6.247 234 HB3 ASP 27 HB3 ASP 27 -17.717 -0.969 4.723 235 H1 LYS 1 H1 LYS 1 -15.462 6.836 3.846 236 H2 LYS 1 H2 LYS 1 -16.677 5.864 3.122 237 H3 LYS 1 H3 LYS 1 -15.687 6.870 2.147 238 HA LYS 1 HA LYS 1 -14.917 4.696 1.898 239 HB2 LYS 1 HB2 LYS 1 -13.202 6.265 3.845 240 HB3 LYS 1 HB3 LYS 1 -12.625 4.924 2.874 241 HG2 LYS 1 HG2 LYS 1 -12.693 6.151 0.907 242 HG3 LYS 1 HG3 LYS 1 -13.825 7.340 1.565 243 HD2 LYS 1 HD2 LYS 1 -12.188 8.512 2.613 244 HD3 LYS 1 HD3 LYS 1 -11.207 7.079 2.915 245 HE2 LYS 1 HE2 LYS 1 -10.226 8.712 1.302 246 HE3 LYS 1 HE3 LYS 1 -10.385 7.068 0.695 247 HZ1 LYS 1 HZ1 LYS 1 -12.148 7.665 -0.678 248 HZ2 LYS 1 HZ2 LYS 1 -11.096 8.982 -0.816 249 HZ3 LYS 1 HZ3 LYS 1 -12.468 9.097 0.165 250 H LEU 2 H LEU 2 -13.539 2.975 3.056 251 HA LEU 2 HA LEU 2 -15.039 1.379 4.562 252 HB2 LEU 2 HB2 LEU 2 -13.208 0.027 4.901 253 HB3 LEU 2 HB3 LEU 2 -12.850 0.913 3.445 254 HG LEU 2 HG LEU 2 -11.702 1.279 6.149 255 HD11 LEU 2 HD11 LEU 2 -9.659 1.390 4.588 256 HD12 LEU 2 HD12 LEU 2 -10.743 0.593 3.439 257 HD13 LEU 2 HD13 LEU 2 -10.363 -0.196 4.972 258 HD21 LEU 2 HD21 LEU 2 -12.483 3.345 5.110 259 HD22 LEU 2 HD22 LEU 2 -11.251 3.040 3.831 260 HD23 LEU 2 HD23 LEU 2 -10.760 3.275 5.508 261 HA PRO 3 HA PRO 3 -15.654 1.838 8.844 262 HB2 PRO 3 HB2 PRO 3 -13.869 -0.432 9.228 263 HB3 PRO 3 HB3 PRO 3 -15.536 -0.211 9.742 264 HG2 PRO 3 HG2 PRO 3 -14.904 -1.748 7.657 265 HG3 PRO 3 HG3 PRO 3 -16.384 -0.793 7.688 266 HD2 PRO 3 HD2 PRO 3 -13.879 -0.350 6.175 267 HD3 PRO 3 HD3 PRO 3 -15.524 0.067 5.763 268 HA PRO 4 HA PRO 4 -12.655 3.799 11.342 269 HB2 PRO 4 HB2 PRO 4 -13.673 1.921 13.312 270 HB3 PRO 4 HB3 PRO 4 -13.441 3.638 13.425 271 HG2 PRO 4 HG2 PRO 4 -15.823 2.917 13.067 272 HG3 PRO 4 HG3 PRO 4 -15.174 4.050 11.893 273 HD2 PRO 4 HD2 PRO 4 -15.317 1.144 11.640 274 HD3 PRO 4 HD3 PRO 4 -15.991 2.372 10.607 275 H GLY 5 H GLY 5 -10.750 3.575 12.291 276 HA2 GLY 5 HA2 GLY 5 -8.783 2.548 12.910 277 HA3 GLY 5 HA3 GLY 5 -9.638 1.029 12.779 278 H TRP 6 H TRP 6 -10.480 1.605 9.967 279 HA TRP 6 HA TRP 6 -8.268 0.454 8.650 280 HB2 TRP 6 HB2 TRP 6 -10.957 1.380 7.867 281 HB3 TRP 6 HB3 TRP 6 -9.797 1.178 6.620 282 HD1 TRP 6 HD1 TRP 6 -12.499 -0.392 7.932 283 HE1 TRP 6 HE1 TRP 6 -12.469 -2.948 7.828 284 HE3 TRP 6 HE3 TRP 6 -7.724 -0.974 6.721 285 HZ2 TRP 6 HZ2 TRP 6 -10.523 -4.968 7.227 286 HZ3 TRP 6 HZ3 TRP 6 -6.823 -3.180 6.358 287 HH2 TRP 6 HH2 TRP 6 -8.147 -5.103 6.549 288 H GLU 7 H GLU 7 -7.084 1.334 6.956 289 HA GLU 7 HA GLU 7 -7.396 4.027 6.150 290 HB2 GLU 7 HB2 GLU 7 -5.042 4.702 6.833 291 HB3 GLU 7 HB3 GLU 7 -6.291 4.760 8.064 292 HG2 GLU 7 HG2 GLU 7 -5.492 2.711 9.047 293 HG3 GLU 7 HG3 GLU 7 -4.328 2.496 7.739 294 H LYS 8 H LYS 8 -7.272 3.602 4.142 295 HA LYS 8 HA LYS 8 -5.956 1.571 2.835 296 HB2 LYS 8 HB2 LYS 8 -7.593 3.404 1.835 297 HB3 LYS 8 HB3 LYS 8 -6.145 4.395 1.637 298 HG2 LYS 8 HG2 LYS 8 -5.157 2.788 0.134 299 HG3 LYS 8 HG3 LYS 8 -6.491 1.664 0.400 300 HD2 LYS 8 HD2 LYS 8 -8.003 2.990 -0.782 301 HD3 LYS 8 HD3 LYS 8 -7.003 4.434 -0.627 302 HE2 LYS 8 HE2 LYS 8 -5.405 2.612 -1.992 303 HE3 LYS 8 HE3 LYS 8 -7.012 2.391 -2.680 304 HZ1 LYS 8 HZ1 LYS 8 -5.407 4.878 -2.572 305 HZ2 LYS 8 HZ2 LYS 8 -7.059 4.881 -2.935 306 HZ3 LYS 8 HZ3 LYS 8 -5.974 4.062 -3.941 307 H ARG 9 H ARG 9 -3.799 1.148 2.495 308 HA ARG 9 HA ARG 9 -1.872 3.365 2.770 309 HB2 ARG 9 HB2 ARG 9 -2.083 1.523 4.662 310 HB3 ARG 9 HB3 ARG 9 -1.082 0.595 3.554 311 HG2 ARG 9 HG2 ARG 9 0.565 2.441 3.565 312 HG3 ARG 9 HG3 ARG 9 -0.420 3.265 4.776 313 HD2 ARG 9 HD2 ARG 9 0.903 0.574 5.078 314 HD3 ARG 9 HD3 ARG 9 1.375 2.062 5.872 315 HE ARG 9 HE ARG 9 -0.785 0.327 6.526 316 HH11 ARG 9 HH11 ARG 9 0.542 3.558 6.919 317 HH12 ARG 9 HH12 ARG 9 -0.090 3.724 8.522 318 HH21 ARG 9 HH21 ARG 9 -1.469 0.521 8.505 319 HH22 ARG 9 HH22 ARG 9 -1.284 1.959 9.454 320 H CYS 10 H CYS 10 -1.099 3.742 0.780 321 HA CYS 10 HA CYS 10 -0.489 1.427 -0.930 322 HB2 CYS 10 HB2 CYS 10 -0.528 4.185 -2.051 323 HB3 CYS 10 HB3 CYS 10 -0.954 2.657 -2.806 324 H PHE 11 H PHE 11 1.523 0.792 -0.649 325 HA PHE 11 HA PHE 11 3.632 2.841 -0.672 326 HB2 PHE 11 HB2 PHE 11 5.062 1.372 0.606 327 HB3 PHE 11 HB3 PHE 11 3.495 1.418 1.416 328 HD1 PHE 11 HD2 PHE 11 5.696 -0.563 -0.774 329 HD2 PHE 11 HD1 PHE 11 2.223 -0.577 1.708 330 HE1 PHE 11 HE2 PHE 11 5.648 -3.034 -0.855 331 HE2 PHE 11 HE1 PHE 11 2.171 -3.044 1.625 332 HZ PHE 11 HZ PHE 11 3.883 -4.274 0.344 333 H TYR 12 H TYR 12 5.212 2.704 -2.214 334 HA TYR 12 HA TYR 12 4.816 0.886 -4.429 335 HB2 TYR 12 HB2 TYR 12 6.561 3.268 -3.900 336 HB3 TYR 12 HB3 TYR 12 7.117 2.105 -5.099 337 HD1 TYR 12 HD1 TYR 12 5.867 1.779 -7.210 338 HD2 TYR 12 HD2 TYR 12 4.517 4.589 -4.295 339 HE1 TYR 12 HE1 TYR 12 4.373 2.718 -8.796 340 HE2 TYR 12 HE2 TYR 12 3.010 5.564 -5.893 341 HH TYR 12 HH TYR 12 1.860 4.908 -8.002 342 H PHE 13 H PHE 13 6.252 -0.824 -4.958 343 HA PHE 13 HA PHE 13 8.419 -1.325 -2.975 344 HB2 PHE 13 HB2 PHE 13 6.319 -2.829 -2.737 345 HB3 PHE 13 HB3 PHE 13 6.879 -3.591 -4.227 346 HD1 PHE 13 HD2 PHE 13 7.608 -2.991 -0.706 347 HD2 PHE 13 HD1 PHE 13 8.935 -4.925 -4.259 348 HE1 PHE 13 HE2 PHE 13 9.139 -4.365 0.618 349 HE2 PHE 13 HE1 PHE 13 10.427 -6.349 -2.962 350 HZ PHE 13 HZ PHE 13 10.560 -6.069 -0.495 351 H ASN 14 H ASN 14 10.262 -1.248 -3.996 352 HA ASN 14 HA ASN 14 10.347 -1.935 -6.792 353 HB2 ASN 14 HB2 ASN 14 12.806 -1.108 -6.516 354 HB3 ASN 14 HB3 ASN 14 11.516 0.041 -6.640 355 HD21 ASN 14 HD21 ASN 14 13.739 0.992 -5.707 356 HD22 ASN 14 HD22 ASN 14 13.667 1.229 -3.997 357 H ARG 15 H ARG 15 10.143 -4.200 -6.385 358 HA ARG 15 HA ARG 15 11.532 -5.722 -4.646 359 HB2 ARG 15 HB2 ARG 15 9.915 -6.881 -5.689 360 HB3 ARG 15 HB3 ARG 15 10.320 -6.271 -7.292 361 HG2 ARG 15 HG2 ARG 15 11.118 -8.311 -7.639 362 HG3 ARG 15 HG3 ARG 15 12.510 -7.768 -6.710 363 HD2 ARG 15 HD2 ARG 15 11.885 -9.813 -5.718 364 HD3 ARG 15 HD3 ARG 15 11.240 -8.571 -4.646 365 HE ARG 15 HE ARG 15 9.101 -9.191 -5.232 366 HH11 ARG 15 HH11 ARG 15 11.393 -10.827 -7.318 367 HH12 ARG 15 HH12 ARG 15 10.207 -11.899 -7.981 368 HH21 ARG 15 HH21 ARG 15 7.546 -10.604 -6.115 369 HH22 ARG 15 HH22 ARG 15 8.024 -11.773 -7.301 370 H ILE 16 H ILE 16 13.107 -3.981 -7.235 371 HA ILE 16 HA ILE 16 15.281 -5.664 -7.631 372 HB ILE 16 HB ILE 16 14.844 -2.743 -7.863 373 HG12 ILE 16 HG12 ILE 16 14.105 -3.300 -9.866 374 HG13 ILE 16 HG13 ILE 16 15.636 -4.013 -10.234 375 HG21 ILE 16 HG21 ILE 16 17.095 -2.744 -8.886 376 HG22 ILE 16 HG22 ILE 16 17.256 -4.420 -8.336 377 HG23 ILE 16 HG23 ILE 16 17.070 -3.121 -7.148 378 HD11 ILE 16 HD11 ILE 16 13.271 -5.277 -10.362 379 HD12 ILE 16 HD12 ILE 16 13.815 -5.738 -8.748 380 HD13 ILE 16 HD13 ILE 16 14.825 -6.088 -10.148 381 H THR 17 H THR 17 14.655 -2.864 -5.707 382 HA THR 17 HA THR 17 16.818 -3.450 -3.939 383 HB THR 17 HB THR 17 17.054 -1.232 -3.509 384 HG1 THR 17 HG1 THR 17 14.843 -0.966 -2.864 385 HG21 THR 17 HG21 THR 17 17.383 -1.810 -5.877 386 HG22 THR 17 HG22 THR 17 17.047 -0.100 -5.581 387 HG23 THR 17 HG23 THR 17 15.776 -1.166 -6.229 388 H GLY 18 H GLY 18 14.067 -4.535 -4.279 389 HA2 GLY 18 HA2 GLY 18 12.105 -4.832 -3.135 390 HA3 GLY 18 HA3 GLY 18 13.207 -5.535 -1.993 391 H LYS 19 H LYS 19 13.076 -2.137 -2.855 392 HA LYS 19 HA LYS 19 12.704 -1.442 -0.103 393 HB2 LYS 19 HB2 LYS 19 13.447 -0.100 -2.574 394 HB3 LYS 19 HB3 LYS 19 12.654 0.880 -1.340 395 HG2 LYS 19 HG2 LYS 19 14.311 -0.087 0.245 396 HG3 LYS 19 HG3 LYS 19 15.187 -0.661 -1.200 397 HD2 LYS 19 HD2 LYS 19 15.735 1.485 -1.859 398 HD3 LYS 19 HD3 LYS 19 14.369 2.213 -1.011 399 HE2 LYS 19 HE2 LYS 19 15.482 2.331 0.968 400 HE3 LYS 19 HE3 LYS 19 16.429 0.880 0.648 401 HZ1 LYS 19 HZ1 LYS 19 17.771 2.920 0.652 402 HZ2 LYS 19 HZ2 LYS 19 16.878 3.511 -0.658 403 HZ3 LYS 19 HZ3 LYS 19 17.828 2.123 -0.840 404 H ARG 20 H ARG 20 11.213 0.116 0.621 405 HA ARG 20 HA ARG 20 8.753 0.221 -0.925 406 HB2 ARG 20 HB2 ARG 20 7.367 -0.250 0.931 407 HB3 ARG 20 HB3 ARG 20 8.626 -1.514 0.831 408 HG2 ARG 20 HG2 ARG 20 9.875 -0.005 2.549 409 HG3 ARG 20 HG3 ARG 20 8.260 0.638 2.860 410 HD2 ARG 20 HD2 ARG 20 7.442 -1.569 3.398 411 HD3 ARG 20 HD3 ARG 20 8.992 -2.285 2.961 412 HE ARG 20 HE ARG 20 9.318 -0.339 4.998 413 HH11 ARG 20 HH11 ARG 20 8.195 -3.614 4.474 414 HH12 ARG 20 HH12 ARG 20 8.538 -4.121 6.093 415 HH21 ARG 20 HH21 ARG 20 9.767 -1.013 7.131 416 HH22 ARG 20 HH22 ARG 20 9.430 -2.645 7.602 417 H GLN 21 H GLN 21 7.634 1.996 -0.877 418 HA GLN 21 HA GLN 21 8.184 4.069 1.051 419 HB2 GLN 21 HB2 GLN 21 8.213 5.368 -1.395 420 HB3 GLN 21 HB3 GLN 21 9.503 5.278 -0.240 421 HG2 GLN 21 HG2 GLN 21 10.118 3.110 -1.341 422 HG3 GLN 21 HG3 GLN 21 8.950 3.504 -2.561 423 HE21 GLN 21 HE21 GLN 21 9.308 5.535 -3.736 424 HE22 GLN 21 HE22 GLN 21 10.929 6.023 -3.998 425 H PHE 22 H PHE 22 6.421 5.545 1.194 426 HA PHE 22 HA PHE 22 3.982 4.610 -0.102 427 HB2 PHE 22 HB2 PHE 22 4.528 6.906 1.793 428 HB3 PHE 22 HB3 PHE 22 2.925 6.469 1.219 429 HD1 PHE 22 HD2 PHE 22 2.650 3.681 1.477 430 HD2 PHE 22 HD1 PHE 22 4.863 6.309 3.991 431 HE1 PHE 22 HE2 PHE 22 2.438 2.085 3.324 432 HE2 PHE 22 HE1 PHE 22 4.655 4.718 5.844 433 HZ PHE 22 HZ PHE 22 3.442 2.615 5.497 434 H GLU 23 H GLU 23 5.942 5.499 -1.855 435 HA GLU 23 HA GLU 23 4.789 7.847 -3.134 436 HB2 GLU 23 HB2 GLU 23 6.629 8.990 -2.587 437 HB3 GLU 23 HB3 GLU 23 7.383 7.541 -1.901 438 HG2 GLU 23 HG2 GLU 23 8.115 6.872 -4.155 439 HG3 GLU 23 HG3 GLU 23 7.395 8.348 -4.798 440 H ARG 24 H ARG 24 5.092 8.080 -5.222 441 HA ARG 24 HA ARG 24 5.816 5.697 -6.727 442 HB2 ARG 24 HB2 ARG 24 3.789 6.784 -7.413 443 HB3 ARG 24 HB3 ARG 24 4.620 8.329 -7.589 444 HG2 ARG 24 HG2 ARG 24 6.133 7.096 -9.195 445 HG3 ARG 24 HG3 ARG 24 4.870 5.858 -9.206 446 HD2 ARG 24 HD2 ARG 24 3.562 8.306 -9.525 447 HD3 ARG 24 HD3 ARG 24 4.973 8.390 -10.573 448 HE ARG 24 HE ARG 24 4.143 6.649 -11.852 449 HH11 ARG 24 HH11 ARG 24 1.985 7.369 -9.186 450 HH12 ARG 24 HH12 ARG 24 0.660 6.485 -9.862 451 HH21 ARG 24 HH21 ARG 24 2.391 5.486 -12.733 452 HH22 ARG 24 HH22 ARG 24 0.889 5.416 -11.873 453 HA PRO 25 HA PRO 25 9.913 7.344 -6.340 454 HB2 PRO 25 HB2 PRO 25 10.484 5.123 -8.042 455 HB3 PRO 25 HB3 PRO 25 11.115 5.522 -6.472 456 HG2 PRO 25 HG2 PRO 25 9.413 3.522 -6.806 457 HG3 PRO 25 HG3 PRO 25 9.364 4.520 -5.401 458 HD2 PRO 25 HD2 PRO 25 7.518 4.560 -7.732 459 HD3 PRO 25 HD3 PRO 25 7.224 4.809 -5.993 460 H SER 26 H SER 26 11.573 8.033 -7.592 461 HA SER 26 HA SER 26 11.371 9.926 -9.276 462 HB2 SER 26 HB2 SER 26 13.498 9.081 -8.681 463 HB3 SER 26 HB3 SER 26 13.238 7.670 -9.714 464 HG SER 26 HG SER 26 13.846 8.811 -11.380 465 H ASP 27 H ASP 27 11.107 6.739 -10.335 466 HA ASP 27 HA ASP 27 10.033 5.775 -12.073 467 HB2 ASP 27 HB2 ASP 27 8.107 6.737 -12.057 468 HB3 ASP 27 HB3 ASP 27 8.830 8.258 -11.532 Start of MODEL 8 1 H1 LYS 1 H1 LYS 1 5.751 6.866 -17.118 2 H2 LYS 1 H2 LYS 1 7.281 6.092 -17.175 3 H3 LYS 1 H3 LYS 1 6.966 7.290 -15.988 4 HA LYS 1 HA LYS 1 5.193 5.851 -15.112 5 HB2 LYS 1 HB2 LYS 1 6.539 3.896 -16.999 6 HB3 LYS 1 HB3 LYS 1 5.396 3.439 -15.749 7 HG2 LYS 1 HG2 LYS 1 3.588 4.338 -16.890 8 HG3 LYS 1 HG3 LYS 1 4.605 5.392 -17.882 9 HD2 LYS 1 HD2 LYS 1 5.494 2.836 -18.463 10 HD3 LYS 1 HD3 LYS 1 3.744 2.666 -18.346 11 HE2 LYS 1 HE2 LYS 1 4.575 5.030 -19.824 12 HE3 LYS 1 HE3 LYS 1 5.161 3.527 -20.531 13 HZ1 LYS 1 HZ1 LYS 1 2.867 2.694 -20.497 14 HZ2 LYS 1 HZ2 LYS 1 3.024 4.083 -21.450 15 HZ3 LYS 1 HZ3 LYS 1 2.334 4.189 -19.909 16 H LEU 2 H LEU 2 5.799 3.871 -13.694 17 HA LEU 2 HA LEU 2 7.786 4.580 -11.917 18 HB2 LEU 2 HB2 LEU 2 6.458 2.000 -12.545 19 HB3 LEU 2 HB3 LEU 2 7.687 2.140 -11.321 20 HG LEU 2 HG LEU 2 5.089 3.635 -11.307 21 HD11 LEU 2 HD11 LEU 2 5.379 1.871 -9.146 22 HD12 LEU 2 HD12 LEU 2 5.863 0.989 -10.600 23 HD13 LEU 2 HD13 LEU 2 4.272 1.745 -10.526 24 HD21 LEU 2 HD21 LEU 2 7.526 4.091 -9.935 25 HD22 LEU 2 HD22 LEU 2 6.371 3.409 -8.789 26 HD23 LEU 2 HD23 LEU 2 5.965 4.880 -9.692 27 HA PRO 3 HA PRO 3 11.711 3.080 -13.360 28 HB2 PRO 3 HB2 PRO 3 12.308 2.575 -10.591 29 HB3 PRO 3 HB3 PRO 3 13.041 3.731 -11.693 30 HG2 PRO 3 HG2 PRO 3 11.463 4.560 -9.704 31 HG3 PRO 3 HG3 PRO 3 11.456 5.342 -11.274 32 HD2 PRO 3 HD2 PRO 3 9.487 3.368 -10.165 33 HD3 PRO 3 HD3 PRO 3 9.228 4.891 -11.011 34 HA PRO 4 HA PRO 4 11.711 -1.256 -13.577 35 HB2 PRO 4 HB2 PRO 4 14.412 -0.908 -12.544 36 HB3 PRO 4 HB3 PRO 4 13.823 -1.945 -13.810 37 HG2 PRO 4 HG2 PRO 4 14.887 0.194 -14.614 38 HG3 PRO 4 HG3 PRO 4 13.246 -0.096 -15.159 39 HD2 PRO 4 HD2 PRO 4 14.114 1.564 -12.926 40 HD3 PRO 4 HD3 PRO 4 13.076 1.965 -14.265 41 H GLY 5 H GLY 5 11.237 -2.926 -12.505 42 HA2 GLY 5 HA2 GLY 5 10.780 -4.317 -10.761 43 HA3 GLY 5 HA3 GLY 5 12.028 -3.461 -9.892 44 H TRP 6 H TRP 6 10.125 -0.922 -10.534 45 HA TRP 6 HA TRP 6 8.877 -1.057 -7.966 46 HB2 TRP 6 HB2 TRP 6 9.223 0.998 -10.024 47 HB3 TRP 6 HB3 TRP 6 7.918 1.243 -8.914 48 HD1 TRP 6 HD1 TRP 6 10.996 2.449 -9.491 49 HE1 TRP 6 HE1 TRP 6 12.339 3.147 -7.467 50 HE3 TRP 6 HE3 TRP 6 8.264 0.145 -6.056 51 HZ2 TRP 6 HZ2 TRP 6 12.163 2.777 -4.667 52 HZ3 TRP 6 HZ3 TRP 6 8.873 0.346 -3.730 53 HH2 TRP 6 HH2 TRP 6 10.712 1.611 -3.045 54 H GLU 7 H GLU 7 6.756 -1.077 -7.488 55 HA GLU 7 HA GLU 7 4.770 -0.913 -9.568 56 HB2 GLU 7 HB2 GLU 7 4.487 -3.290 -7.755 57 HB3 GLU 7 HB3 GLU 7 3.808 -3.028 -9.353 58 HG2 GLU 7 HG2 GLU 7 5.511 -4.050 -10.357 59 HG3 GLU 7 HG3 GLU 7 6.712 -3.201 -9.389 60 H LYS 8 H LYS 8 3.188 0.315 -8.827 61 HA LYS 8 HA LYS 8 3.190 1.118 -6.084 62 HB2 LYS 8 HB2 LYS 8 2.511 2.577 -8.167 63 HB3 LYS 8 HB3 LYS 8 0.975 1.698 -8.114 64 HG2 LYS 8 HG2 LYS 8 0.667 2.472 -5.761 65 HG3 LYS 8 HG3 LYS 8 2.100 3.479 -5.958 66 HD2 LYS 8 HD2 LYS 8 0.504 5.005 -6.528 67 HD3 LYS 8 HD3 LYS 8 0.778 4.284 -8.114 68 HE2 LYS 8 HE2 LYS 8 -1.112 2.619 -7.154 69 HE3 LYS 8 HE3 LYS 8 -1.561 4.107 -6.323 70 HZ1 LYS 8 HZ1 LYS 8 -1.235 5.049 -8.766 71 HZ2 LYS 8 HZ2 LYS 8 -2.707 4.410 -8.233 72 HZ3 LYS 8 HZ3 LYS 8 -1.663 3.461 -9.165 73 H ARG 9 H ARG 9 2.307 -0.067 -4.524 74 HA ARG 9 HA ARG 9 -0.068 -1.727 -5.097 75 HB2 ARG 9 HB2 ARG 9 2.429 -2.435 -3.950 76 HB3 ARG 9 HB3 ARG 9 1.237 -2.505 -2.661 77 HG2 ARG 9 HG2 ARG 9 0.460 -4.433 -3.414 78 HG3 ARG 9 HG3 ARG 9 0.178 -3.747 -5.015 79 HD2 ARG 9 HD2 ARG 9 1.737 -5.709 -4.989 80 HD3 ARG 9 HD3 ARG 9 2.426 -4.260 -5.689 81 HE ARG 9 HE ARG 9 3.903 -4.176 -4.007 82 HH11 ARG 9 HH11 ARG 9 1.398 -6.476 -3.125 83 HH12 ARG 9 HH12 ARG 9 2.401 -7.262 -1.954 84 HH21 ARG 9 HH21 ARG 9 5.130 -5.203 -2.642 85 HH22 ARG 9 HH22 ARG 9 4.583 -6.514 -1.651 86 H CYS 10 H CYS 10 -1.654 -1.946 -3.317 87 HA CYS 10 HA CYS 10 -1.465 0.143 -1.278 88 HB2 CYS 10 HB2 CYS 10 -3.951 -0.097 -2.976 89 HB3 CYS 10 HB3 CYS 10 -3.608 1.107 -1.745 90 H PHE 11 H PHE 11 -1.757 -0.769 0.598 91 HA PHE 11 HA PHE 11 -3.807 -2.864 0.844 92 HB2 PHE 11 HB2 PHE 11 -2.596 -3.850 2.693 93 HB3 PHE 11 HB3 PHE 11 -1.448 -3.611 1.370 94 HD1 PHE 11 HD1 PHE 11 -2.606 -2.345 4.622 95 HD2 PHE 11 HD2 PHE 11 0.426 -2.170 1.645 96 HE1 PHE 11 HE1 PHE 11 -1.146 -1.110 6.180 97 HE2 PHE 11 HE2 PHE 11 1.885 -0.929 3.189 98 HZ PHE 11 HZ PHE 11 1.098 -0.397 5.461 99 H TYR 12 H TYR 12 -5.420 -2.530 2.302 100 HA TYR 12 HA TYR 12 -5.686 0.070 3.527 101 HB2 TYR 12 HB2 TYR 12 -7.439 -2.330 3.194 102 HB3 TYR 12 HB3 TYR 12 -7.769 -1.291 4.575 103 HD1 TYR 12 HD1 TYR 12 -7.637 -1.415 0.887 104 HD2 TYR 12 HD2 TYR 12 -8.652 0.947 4.256 105 HE1 TYR 12 HE1 TYR 12 -8.774 0.140 -0.561 106 HE2 TYR 12 HE2 TYR 12 -9.850 2.469 2.876 107 HH TYR 12 HH TYR 12 -9.407 3.007 -0.044 108 H PHE 13 H PHE 13 -5.540 0.452 5.783 109 HA PHE 13 HA PHE 13 -4.667 -1.902 7.368 110 HB2 PHE 13 HB2 PHE 13 -2.813 -0.197 6.836 111 HB3 PHE 13 HB3 PHE 13 -3.657 0.880 7.954 112 HD1 PHE 13 HD2 PHE 13 -2.028 -2.397 7.654 113 HD2 PHE 13 HD1 PHE 13 -3.462 0.568 10.316 114 HE1 PHE 13 HE2 PHE 13 -0.881 -3.509 9.497 115 HE2 PHE 13 HE1 PHE 13 -2.308 -0.498 12.178 116 HZ PHE 13 HZ PHE 13 -1.004 -2.565 11.779 117 H ASN 14 H ASN 14 -6.046 -2.347 8.834 118 HA ASN 14 HA ASN 14 -7.899 -0.316 9.695 119 HB2 ASN 14 HB2 ASN 14 -8.576 -2.696 9.011 120 HB3 ASN 14 HB3 ASN 14 -7.990 -3.192 10.552 121 HD21 ASN 14 HD21 ASN 14 -10.400 -3.853 10.432 122 HD22 ASN 14 HD22 ASN 14 -11.502 -2.732 11.149 123 H ARG 15 H ARG 15 -6.020 0.741 10.738 124 HA ARG 15 HA ARG 15 -4.392 -0.199 12.640 125 HB2 ARG 15 HB2 ARG 15 -3.770 1.902 12.547 126 HB3 ARG 15 HB3 ARG 15 -5.347 2.429 11.971 127 HG2 ARG 15 HG2 ARG 15 -6.145 2.744 14.184 128 HG3 ARG 15 HG3 ARG 15 -4.730 1.944 14.872 129 HD2 ARG 15 HD2 ARG 15 -4.604 4.401 15.076 130 HD3 ARG 15 HD3 ARG 15 -3.293 3.742 14.100 131 HE ARG 15 HE ARG 15 -5.528 5.372 13.171 132 HH11 ARG 15 HH11 ARG 15 -2.642 3.549 12.364 133 HH12 ARG 15 HH12 ARG 15 -2.473 4.279 10.804 134 HH21 ARG 15 HH21 ARG 15 -5.291 6.327 11.115 135 HH22 ARG 15 HH22 ARG 15 -3.973 5.855 10.096 136 H ILE 16 H ILE 16 -7.878 -0.013 13.178 137 HA ILE 16 HA ILE 16 -7.854 0.027 15.942 138 HB ILE 16 HB ILE 16 -9.678 -1.106 13.899 139 HG12 ILE 16 HG12 ILE 16 -10.560 0.915 13.919 140 HG13 ILE 16 HG13 ILE 16 -10.804 0.826 15.627 141 HG21 ILE 16 HG21 ILE 16 -9.799 -1.118 16.869 142 HG22 ILE 16 HG22 ILE 16 -9.725 -2.518 15.789 143 HG23 ILE 16 HG23 ILE 16 -11.182 -1.494 15.832 144 HD11 ILE 16 HD11 ILE 16 -9.369 2.718 14.346 145 HD12 ILE 16 HD12 ILE 16 -8.106 1.580 14.846 146 HD13 ILE 16 HD13 ILE 16 -9.178 2.283 16.050 147 H THR 17 H THR 17 -7.949 -2.414 13.514 148 HA THR 17 HA THR 17 -7.216 -4.479 15.337 149 HB THR 17 HB THR 17 -8.287 -5.991 13.922 150 HG1 THR 17 HG1 THR 17 -7.392 -5.002 11.971 151 HG21 THR 17 HG21 THR 17 -9.659 -4.457 15.247 152 HG22 THR 17 HG22 THR 17 -10.485 -5.088 13.815 153 HG23 THR 17 HG23 THR 17 -9.842 -3.423 13.826 154 H GLY 18 H GLY 18 -5.645 -2.372 13.916 155 HA2 GLY 18 HA2 GLY 18 -3.872 -2.101 12.499 156 HA3 GLY 18 HA3 GLY 18 -3.146 -3.288 13.528 157 H LYS 19 H LYS 19 -5.892 -3.965 11.595 158 HA LYS 19 HA LYS 19 -4.799 -6.165 10.261 159 HB2 LYS 19 HB2 LYS 19 -7.310 -4.705 10.313 160 HB3 LYS 19 HB3 LYS 19 -6.950 -5.570 8.822 161 HG2 LYS 19 HG2 LYS 19 -6.614 -7.588 10.103 162 HG3 LYS 19 HG3 LYS 19 -7.070 -6.703 11.584 163 HD2 LYS 19 HD2 LYS 19 -9.220 -7.108 11.149 164 HD3 LYS 19 HD3 LYS 19 -9.073 -6.264 9.606 165 HE2 LYS 19 HE2 LYS 19 -8.073 -8.494 8.756 166 HE3 LYS 19 HE3 LYS 19 -8.816 -9.191 10.194 167 HZ1 LYS 19 HZ1 LYS 19 -10.957 -8.383 9.457 168 HZ2 LYS 19 HZ2 LYS 19 -10.260 -9.341 8.249 169 HZ3 LYS 19 HZ3 LYS 19 -10.257 -7.656 8.098 170 H ARG 20 H ARG 20 -4.682 -6.515 8.015 171 HA ARG 20 HA ARG 20 -4.440 -4.200 6.332 172 HB2 ARG 20 HB2 ARG 20 -2.329 -4.737 5.419 173 HB3 ARG 20 HB3 ARG 20 -2.203 -4.664 7.200 174 HG2 ARG 20 HG2 ARG 20 -1.386 -6.717 7.293 175 HG3 ARG 20 HG3 ARG 20 -2.756 -7.350 6.383 176 HD2 ARG 20 HD2 ARG 20 -1.676 -6.891 4.302 177 HD3 ARG 20 HD3 ARG 20 -0.385 -6.001 5.107 178 HE ARG 20 HE ARG 20 -0.591 -8.843 4.786 179 HH11 ARG 20 HH11 ARG 20 0.771 -6.304 6.782 180 HH12 ARG 20 HH12 ARG 20 2.049 -7.301 7.388 181 HH21 ARG 20 HH21 ARG 20 1.095 -10.147 5.589 182 HH22 ARG 20 HH22 ARG 20 2.235 -9.481 6.711 183 H GLN 21 H GLN 21 -5.063 -4.440 4.367 184 HA GLN 21 HA GLN 21 -5.224 -7.010 3.088 185 HB2 GLN 21 HB2 GLN 21 -7.748 -5.905 2.734 186 HB3 GLN 21 HB3 GLN 21 -7.358 -7.418 3.485 187 HG2 GLN 21 HG2 GLN 21 -7.000 -6.078 5.586 188 HG3 GLN 21 HG3 GLN 21 -7.698 -4.742 4.725 189 HE21 GLN 21 HE21 GLN 21 -9.827 -5.376 3.626 190 HE22 GLN 21 HE22 GLN 21 -10.920 -6.228 4.634 191 H PHE 22 H PHE 22 -5.390 -6.736 0.787 192 HA PHE 22 HA PHE 22 -4.789 -4.041 -0.112 193 HB2 PHE 22 HB2 PHE 22 -5.180 -6.651 -1.590 194 HB3 PHE 22 HB3 PHE 22 -4.748 -5.146 -2.387 195 HD1 PHE 22 HD1 PHE 22 -2.665 -3.964 -0.926 196 HD2 PHE 22 HD2 PHE 22 -3.414 -8.108 -1.442 197 HE1 PHE 22 HE1 PHE 22 -0.304 -4.435 -0.519 198 HE2 PHE 22 HE2 PHE 22 -1.054 -8.589 -1.033 199 HZ PHE 22 HZ PHE 22 0.486 -6.747 -0.574 200 H GLU 23 H GLU 23 -7.315 -4.297 1.097 201 HA GLU 23 HA GLU 23 -9.199 -3.611 -1.018 202 HB2 GLU 23 HB2 GLU 23 -10.185 -5.590 -0.711 203 HB3 GLU 23 HB3 GLU 23 -9.147 -5.953 0.675 204 HG2 GLU 23 HG2 GLU 23 -10.635 -4.710 2.144 205 HG3 GLU 23 HG3 GLU 23 -11.655 -4.295 0.769 206 H ARG 24 H ARG 24 -10.999 -2.551 -0.396 207 HA ARG 24 HA ARG 24 -10.875 -1.120 2.163 208 HB2 ARG 24 HB2 ARG 24 -11.113 0.284 0.189 209 HB3 ARG 24 HB3 ARG 24 -12.506 -0.642 -0.340 210 HG2 ARG 24 HG2 ARG 24 -13.800 0.111 1.446 211 HG3 ARG 24 HG3 ARG 24 -12.406 0.846 2.249 212 HD2 ARG 24 HD2 ARG 24 -12.883 1.719 -0.500 213 HD3 ARG 24 HD3 ARG 24 -14.132 2.208 0.646 214 HE ARG 24 HE ARG 24 -11.352 3.042 0.576 215 HH11 ARG 24 HH11 ARG 24 -14.388 3.203 2.241 216 HH12 ARG 24 HH12 ARG 24 -13.960 4.593 3.169 217 HH21 ARG 24 HH21 ARG 24 -10.763 4.867 1.789 218 HH22 ARG 24 HH22 ARG 24 -11.894 5.544 2.913 219 HA PRO 25 HA PRO 25 -13.123 -4.771 3.368 220 HB2 PRO 25 HB2 PRO 25 -13.373 -3.298 5.809 221 HB3 PRO 25 HB3 PRO 25 -12.702 -4.873 5.500 222 HG2 PRO 25 HG2 PRO 25 -11.156 -2.748 5.965 223 HG3 PRO 25 HG3 PRO 25 -10.648 -4.031 4.974 224 HD2 PRO 25 HD2 PRO 25 -11.436 -1.337 4.169 225 HD3 PRO 25 HD3 PRO 25 -10.371 -2.524 3.405 226 H SER 26 H SER 26 -15.004 -5.447 3.622 227 HA SER 26 HA SER 26 -17.187 -4.322 2.584 228 HB2 SER 26 HB2 SER 26 -17.054 -6.649 3.013 229 HB3 SER 26 HB3 SER 26 -17.032 -6.324 4.753 230 HG SER 26 HG SER 26 -19.168 -6.185 2.925 231 H ASP 27 H ASP 27 -16.148 -4.254 5.755 232 HA ASP 27 HA ASP 27 -16.553 -2.832 7.466 233 HB2 ASP 27 HB2 ASP 27 -16.675 -0.873 6.566 234 HB3 ASP 27 HB3 ASP 27 -17.361 -1.555 5.095 235 H1 LYS 1 H1 LYS 1 -18.226 0.348 1.551 236 H2 LYS 1 H2 LYS 1 -18.379 1.771 0.604 237 H3 LYS 1 H3 LYS 1 -18.878 1.773 2.246 238 HA LYS 1 HA LYS 1 -16.128 1.457 1.231 239 HB2 LYS 1 HB2 LYS 1 -17.690 3.688 2.539 240 HB3 LYS 1 HB3 LYS 1 -15.944 3.621 2.663 241 HG2 LYS 1 HG2 LYS 1 -15.672 3.959 0.315 242 HG3 LYS 1 HG3 LYS 1 -17.392 3.669 0.010 243 HD2 LYS 1 HD2 LYS 1 -17.839 5.705 1.440 244 HD3 LYS 1 HD3 LYS 1 -16.107 6.025 1.368 245 HE2 LYS 1 HE2 LYS 1 -18.135 6.073 -0.829 246 HE3 LYS 1 HE3 LYS 1 -16.969 7.308 -0.364 247 HZ1 LYS 1 HZ1 LYS 1 -15.219 5.650 -1.114 248 HZ2 LYS 1 HZ2 LYS 1 -16.135 6.389 -2.328 249 HZ3 LYS 1 HZ3 LYS 1 -16.481 4.802 -1.859 250 H LEU 2 H LEU 2 -14.497 1.460 2.912 251 HA LEU 2 HA LEU 2 -15.234 -0.321 4.935 252 HB2 LEU 2 HB2 LEU 2 -13.116 -0.889 5.171 253 HB3 LEU 2 HB3 LEU 2 -13.040 -0.158 3.588 254 HG LEU 2 HG LEU 2 -11.990 0.824 6.170 255 HD11 LEU 2 HD11 LEU 2 -10.354 -0.261 4.920 256 HD12 LEU 2 HD12 LEU 2 -10.140 1.451 4.462 257 HD13 LEU 2 HD13 LEU 2 -11.033 0.341 3.410 258 HD21 LEU 2 HD21 LEU 2 -13.464 2.412 4.747 259 HD22 LEU 2 HD22 LEU 2 -11.883 2.598 3.890 260 HD23 LEU 2 HD23 LEU 2 -12.042 2.944 5.626 261 HA PRO 3 HA PRO 3 -15.880 1.553 8.807 262 HB2 PRO 3 HB2 PRO 3 -14.029 -0.330 9.923 263 HB3 PRO 3 HB3 PRO 3 -15.781 -0.252 10.082 264 HG2 PRO 3 HG2 PRO 3 -14.562 -2.155 8.655 265 HG3 PRO 3 HG3 PRO 3 -16.130 -1.496 8.208 266 HD2 PRO 3 HD2 PRO 3 -13.450 -0.873 7.056 267 HD3 PRO 3 HD3 PRO 3 -14.969 -1.172 6.274 268 HA PRO 4 HA PRO 4 -12.899 4.082 10.838 269 HB2 PRO 4 HB2 PRO 4 -13.730 2.538 13.155 270 HB3 PRO 4 HB3 PRO 4 -13.622 4.258 12.946 271 HG2 PRO 4 HG2 PRO 4 -15.954 3.332 12.835 272 HG3 PRO 4 HG3 PRO 4 -15.428 4.267 11.445 273 HD2 PRO 4 HD2 PRO 4 -15.355 1.362 11.731 274 HD3 PRO 4 HD3 PRO 4 -16.173 2.321 10.533 275 H GLY 5 H GLY 5 -10.962 4.091 11.864 276 HA2 GLY 5 HA2 GLY 5 -8.946 3.217 12.588 277 HA3 GLY 5 HA3 GLY 5 -9.729 1.653 12.584 278 H TRP 6 H TRP 6 -10.620 1.839 9.814 279 HA TRP 6 HA TRP 6 -8.342 0.786 8.513 280 HB2 TRP 6 HB2 TRP 6 -11.161 1.257 7.866 281 HB3 TRP 6 HB3 TRP 6 -10.100 1.137 6.530 282 HD1 TRP 6 HD1 TRP 6 -12.423 -0.674 8.171 283 HE1 TRP 6 HE1 TRP 6 -12.071 -3.205 8.182 284 HE3 TRP 6 HE3 TRP 6 -7.709 -0.697 6.664 285 HZ2 TRP 6 HZ2 TRP 6 -9.921 -4.977 7.581 286 HZ3 TRP 6 HZ3 TRP 6 -6.541 -2.792 6.390 287 HH2 TRP 6 HH2 TRP 6 -7.582 -4.854 6.775 288 H GLU 7 H GLU 7 -7.061 1.748 7.015 289 HA GLU 7 HA GLU 7 -7.899 4.257 5.863 290 HB2 GLU 7 HB2 GLU 7 -5.212 4.082 7.223 291 HB3 GLU 7 HB3 GLU 7 -5.890 5.460 6.374 292 HG2 GLU 7 HG2 GLU 7 -7.401 4.399 8.695 293 HG3 GLU 7 HG3 GLU 7 -5.904 5.268 9.016 294 H LYS 8 H LYS 8 -7.834 3.730 3.861 295 HA LYS 8 HA LYS 8 -6.402 1.744 2.609 296 HB2 LYS 8 HB2 LYS 8 -8.238 3.308 1.556 297 HB3 LYS 8 HB3 LYS 8 -6.945 4.486 1.312 298 HG2 LYS 8 HG2 LYS 8 -6.013 2.036 0.234 299 HG3 LYS 8 HG3 LYS 8 -7.659 2.283 -0.346 300 HD2 LYS 8 HD2 LYS 8 -5.760 4.577 -0.410 301 HD3 LYS 8 HD3 LYS 8 -5.596 3.305 -1.621 302 HE2 LYS 8 HE2 LYS 8 -7.071 4.600 -2.746 303 HE3 LYS 8 HE3 LYS 8 -8.239 3.709 -1.773 304 HZ1 LYS 8 HZ1 LYS 8 -7.541 5.791 -0.173 305 HZ2 LYS 8 HZ2 LYS 8 -8.935 5.710 -1.127 306 HZ3 LYS 8 HZ3 LYS 8 -7.556 6.495 -1.712 307 H ARG 9 H ARG 9 -4.245 1.521 2.025 308 HA ARG 9 HA ARG 9 -2.501 3.899 2.164 309 HB2 ARG 9 HB2 ARG 9 -2.432 2.103 4.109 310 HB3 ARG 9 HB3 ARG 9 -1.442 1.218 2.958 311 HG2 ARG 9 HG2 ARG 9 0.075 2.387 4.289 312 HG3 ARG 9 HG3 ARG 9 -0.022 3.319 2.794 313 HD2 ARG 9 HD2 ARG 9 -0.078 4.684 4.907 314 HD3 ARG 9 HD3 ARG 9 -1.430 4.952 3.828 315 HE ARG 9 HE ARG 9 -2.795 4.174 5.408 316 HH11 ARG 9 HH11 ARG 9 0.450 3.097 6.229 317 HH12 ARG 9 HH12 ARG 9 0.035 2.801 7.883 318 HH21 ARG 9 HH21 ARG 9 -3.249 3.896 7.449 319 HH22 ARG 9 HH22 ARG 9 -2.132 3.245 8.602 320 H CYS 10 H CYS 10 -0.679 3.917 0.751 321 HA CYS 10 HA CYS 10 -0.584 1.748 -1.231 322 HB2 CYS 10 HB2 CYS 10 -0.554 4.665 -2.004 323 HB3 CYS 10 HB3 CYS 10 -0.435 3.291 -3.087 324 H PHE 11 H PHE 11 1.359 0.893 -1.037 325 HA PHE 11 HA PHE 11 3.655 2.707 -0.757 326 HB2 PHE 11 HB2 PHE 11 4.884 0.951 0.346 327 HB3 PHE 11 HB3 PHE 11 3.308 1.070 1.130 328 HD1 PHE 11 HD1 PHE 11 5.408 -0.911 -1.161 329 HD2 PHE 11 HD2 PHE 11 1.755 -0.761 1.053 330 HE1 PHE 11 HE1 PHE 11 5.073 -3.328 -1.546 331 HE2 PHE 11 HE2 PHE 11 1.416 -3.176 0.660 332 HZ PHE 11 HZ PHE 11 3.076 -4.459 -0.639 333 H TYR 12 H TYR 12 5.361 2.516 -2.187 334 HA TYR 12 HA TYR 12 4.865 0.998 -4.612 335 HB2 TYR 12 HB2 TYR 12 6.742 3.195 -3.834 336 HB3 TYR 12 HB3 TYR 12 7.240 2.123 -5.146 337 HD1 TYR 12 HD1 TYR 12 5.901 2.016 -7.251 338 HD2 TYR 12 HD2 TYR 12 4.842 4.714 -4.113 339 HE1 TYR 12 HE1 TYR 12 4.443 3.172 -8.723 340 HE2 TYR 12 HE2 TYR 12 3.371 5.906 -5.598 341 HH TYR 12 HH TYR 12 2.661 4.698 -8.839 342 H PHE 13 H PHE 13 6.056 -0.818 -5.213 343 HA PHE 13 HA PHE 13 8.124 -1.709 -3.263 344 HB2 PHE 13 HB2 PHE 13 5.902 -3.034 -3.357 345 HB3 PHE 13 HB3 PHE 13 6.490 -3.624 -4.913 346 HD1 PHE 13 HD1 PHE 13 7.183 -3.476 -1.320 347 HD2 PHE 13 HD2 PHE 13 8.275 -5.270 -5.027 348 HE1 PHE 13 HE1 PHE 13 8.488 -5.156 -0.117 349 HE2 PHE 13 HE2 PHE 13 9.539 -6.993 -3.856 350 HZ PHE 13 HZ PHE 13 9.671 -6.944 -1.373 351 H ASN 14 H ASN 14 10.039 -1.789 -4.108 352 HA ASN 14 HA ASN 14 10.245 -1.971 -6.974 353 HB2 ASN 14 HB2 ASN 14 12.760 -1.562 -6.415 354 HB3 ASN 14 HB3 ASN 14 11.642 -0.234 -6.395 355 HD21 ASN 14 HD21 ASN 14 13.493 0.680 -5.170 356 HD22 ASN 14 HD22 ASN 14 13.484 0.446 -3.464 357 H ARG 15 H ARG 15 9.727 -4.244 -6.984 358 HA ARG 15 HA ARG 15 10.837 -6.177 -5.443 359 HB2 ARG 15 HB2 ARG 15 9.229 -7.094 -6.675 360 HB3 ARG 15 HB3 ARG 15 9.624 -6.169 -8.124 361 HG2 ARG 15 HG2 ARG 15 11.228 -7.684 -8.812 362 HG3 ARG 15 HG3 ARG 15 11.411 -8.375 -7.198 363 HD2 ARG 15 HD2 ARG 15 8.928 -8.626 -8.895 364 HD3 ARG 15 HD3 ARG 15 10.186 -9.858 -8.786 365 HE ARG 15 HE ARG 15 8.116 -9.335 -6.888 366 HH11 ARG 15 HH11 ARG 15 11.398 -10.523 -7.204 367 HH12 ARG 15 HH12 ARG 15 11.328 -11.457 -5.748 368 HH21 ARG 15 HH21 ARG 15 8.034 -10.567 -4.973 369 HH22 ARG 15 HH22 ARG 15 9.420 -11.483 -4.483 370 H ILE 16 H ILE 16 12.679 -4.215 -7.635 371 HA ILE 16 HA ILE 16 14.729 -5.990 -8.247 372 HB ILE 16 HB ILE 16 14.529 -3.046 -7.983 373 HG12 ILE 16 HG12 ILE 16 13.816 -3.211 -10.067 374 HG13 ILE 16 HG13 ILE 16 15.329 -3.920 -10.509 375 HG21 ILE 16 HG21 ILE 16 16.681 -3.701 -7.271 376 HG22 ILE 16 HG22 ILE 16 16.823 -3.077 -8.934 377 HG23 ILE 16 HG23 ILE 16 16.825 -4.822 -8.629 378 HD11 ILE 16 HD11 ILE 16 13.297 -5.742 -9.429 379 HD12 ILE 16 HD12 ILE 16 14.456 -5.979 -10.735 380 HD13 ILE 16 HD13 ILE 16 12.985 -5.039 -11.019 381 H THR 17 H THR 17 14.219 -3.509 -5.891 382 HA THR 17 HA THR 17 16.261 -4.522 -4.180 383 HB THR 17 HB THR 17 16.577 -2.452 -3.347 384 HG1 THR 17 HG1 THR 17 14.434 -2.240 -2.550 385 HG21 THR 17 HG21 THR 17 16.625 -0.918 -5.104 386 HG22 THR 17 HG22 THR 17 15.229 -1.671 -5.910 387 HG23 THR 17 HG23 THR 17 16.777 -2.521 -5.829 388 H GLY 18 H GLY 18 13.454 -5.365 -4.826 389 HA2 GLY 18 HA2 GLY 18 11.440 -5.755 -3.802 390 HA3 GLY 18 HA3 GLY 18 12.461 -6.825 -2.898 391 H LYS 19 H LYS 19 12.477 -3.294 -2.854 392 HA LYS 19 HA LYS 19 11.708 -3.459 -0.028 393 HB2 LYS 19 HB2 LYS 19 13.159 -1.823 0.500 394 HB3 LYS 19 HB3 LYS 19 13.996 -2.516 -0.905 395 HG2 LYS 19 HG2 LYS 19 13.573 -0.736 -2.191 396 HG3 LYS 19 HG3 LYS 19 12.035 -0.385 -1.395 397 HD2 LYS 19 HD2 LYS 19 14.444 -0.031 0.268 398 HD3 LYS 19 HD3 LYS 19 14.272 1.106 -1.072 399 HE2 LYS 19 HE2 LYS 19 11.920 1.521 -0.257 400 HE3 LYS 19 HE3 LYS 19 12.343 0.597 1.184 401 HZ1 LYS 19 HZ1 LYS 19 12.593 3.001 1.490 402 HZ2 LYS 19 HZ2 LYS 19 13.755 3.043 0.263 403 HZ3 LYS 19 HZ3 LYS 19 14.062 2.185 1.689 404 H ARG 20 H ARG 20 10.604 -1.486 0.835 405 HA ARG 20 HA ARG 20 8.612 -0.637 -1.121 406 HB2 ARG 20 HB2 ARG 20 6.853 -0.922 0.429 407 HB3 ARG 20 HB3 ARG 20 7.889 -2.368 0.537 408 HG2 ARG 20 HG2 ARG 20 8.505 -0.185 2.423 409 HG3 ARG 20 HG3 ARG 20 6.979 -1.032 2.674 410 HD2 ARG 20 HD2 ARG 20 8.056 -3.106 2.953 411 HD3 ARG 20 HD3 ARG 20 9.572 -2.500 2.289 412 HE ARG 20 HE ARG 20 10.087 -1.579 4.338 413 HH11 ARG 20 HH11 ARG 20 6.775 -2.724 4.380 414 HH12 ARG 20 HH12 ARG 20 6.613 -2.562 6.095 415 HH21 ARG 20 HH21 ARG 20 9.862 -1.368 6.599 416 HH22 ARG 20 HH22 ARG 20 8.363 -1.792 7.354 417 H GLN 21 H GLN 21 7.678 1.274 -1.055 418 HA GLN 21 HA GLN 21 8.756 3.326 0.759 419 HB2 GLN 21 HB2 GLN 21 7.943 3.792 -2.050 420 HB3 GLN 21 HB3 GLN 21 8.926 4.839 -1.033 421 HG2 GLN 21 HG2 GLN 21 10.290 2.403 -1.384 422 HG3 GLN 21 HG3 GLN 21 9.615 2.873 -2.898 423 HE21 GLN 21 HE21 GLN 21 9.995 5.180 -3.522 424 HE22 GLN 21 HE22 GLN 21 11.564 5.786 -3.191 425 H PHE 22 H PHE 22 7.232 5.219 0.851 426 HA PHE 22 HA PHE 22 4.425 4.407 0.388 427 HB2 PHE 22 HB2 PHE 22 5.765 5.983 2.526 428 HB3 PHE 22 HB3 PHE 22 4.188 6.557 2.004 429 HD1 PHE 22 HD1 PHE 22 5.148 3.005 2.029 430 HD2 PHE 22 HD2 PHE 22 3.039 6.090 4.069 431 HE1 PHE 22 HE1 PHE 22 4.065 1.320 3.443 432 HE2 PHE 22 HE2 PHE 22 1.956 4.414 5.493 433 HZ PHE 22 HZ PHE 22 2.476 2.039 5.171 434 H GLU 23 H GLU 23 6.309 5.353 -1.489 435 HA GLU 23 HA GLU 23 5.120 7.786 -2.560 436 HB2 GLU 23 HB2 GLU 23 6.963 8.923 -1.990 437 HB3 GLU 23 HB3 GLU 23 7.708 7.450 -1.352 438 HG2 GLU 23 HG2 GLU 23 8.441 6.866 -3.653 439 HG3 GLU 23 HG3 GLU 23 7.782 8.407 -4.200 440 H ARG 24 H ARG 24 5.519 8.199 -4.652 441 HA ARG 24 HA ARG 24 6.158 5.907 -6.335 442 HB2 ARG 24 HB2 ARG 24 4.231 7.229 -6.955 443 HB3 ARG 24 HB3 ARG 24 5.197 8.699 -6.990 444 HG2 ARG 24 HG2 ARG 24 6.614 7.479 -8.692 445 HG3 ARG 24 HG3 ARG 24 5.246 6.364 -8.812 446 HD2 ARG 24 HD2 ARG 24 4.229 8.996 -8.905 447 HD3 ARG 24 HD3 ARG 24 5.587 8.928 -10.023 448 HE ARG 24 HE ARG 24 4.440 7.428 -11.343 449 HH11 ARG 24 HH11 ARG 24 2.583 8.170 -8.463 450 HH12 ARG 24 HH12 ARG 24 1.121 7.482 -9.083 451 HH21 ARG 24 HH21 ARG 24 2.511 6.520 -12.146 452 HH22 ARG 24 HH22 ARG 24 1.079 6.545 -11.172 453 HA PRO 25 HA PRO 25 10.338 7.063 -5.509 454 HB2 PRO 25 HB2 PRO 25 10.757 5.281 -7.712 455 HB3 PRO 25 HB3 PRO 25 11.460 5.281 -6.122 456 HG2 PRO 25 HG2 PRO 25 9.582 3.522 -6.807 457 HG3 PRO 25 HG3 PRO 25 9.678 4.171 -5.212 458 HD2 PRO 25 HD2 PRO 25 7.678 4.775 -7.291 459 HD3 PRO 25 HD3 PRO 25 7.584 4.834 -5.518 460 H SER 26 H SER 26 11.818 8.242 -6.203 461 HA SER 26 HA SER 26 11.503 10.343 -7.787 462 HB2 SER 26 HB2 SER 26 13.342 10.150 -6.301 463 HB3 SER 26 HB3 SER 26 14.002 8.843 -7.294 464 HG SER 26 HG SER 26 14.160 11.574 -7.626 465 H ASP 27 H ASP 27 12.618 7.320 -8.640 466 HA ASP 27 HA ASP 27 12.669 6.203 -10.598 467 HB2 ASP 27 HB2 ASP 27 10.812 6.749 -11.561 468 HB3 ASP 27 HB3 ASP 27 10.899 8.381 -10.910 Start of MODEL 9 1 H1 LYS 1 H1 LYS 1 6.607 4.910 -16.163 2 H2 LYS 1 H2 LYS 1 6.747 6.588 -15.829 3 H3 LYS 1 H3 LYS 1 5.200 5.884 -16.057 4 HA LYS 1 HA LYS 1 5.761 6.356 -13.744 5 HB2 LYS 1 HB2 LYS 1 4.998 4.134 -12.950 6 HB3 LYS 1 HB3 LYS 1 4.072 4.716 -14.325 7 HG2 LYS 1 HG2 LYS 1 6.331 3.088 -15.140 8 HG3 LYS 1 HG3 LYS 1 5.238 2.229 -14.054 9 HD2 LYS 1 HD2 LYS 1 4.040 3.796 -16.278 10 HD3 LYS 1 HD3 LYS 1 4.854 2.286 -16.678 11 HE2 LYS 1 HE2 LYS 1 2.567 1.788 -16.340 12 HE3 LYS 1 HE3 LYS 1 3.450 1.165 -14.951 13 HZ1 LYS 1 HZ1 LYS 1 2.113 3.810 -14.931 14 HZ2 LYS 1 HZ2 LYS 1 2.683 2.923 -13.609 15 HZ3 LYS 1 HZ3 LYS 1 1.323 2.390 -14.460 16 H LEU 2 H LEU 2 6.737 5.206 -11.799 17 HA LEU 2 HA LEU 2 9.368 5.446 -11.677 18 HB2 LEU 2 HB2 LEU 2 9.345 4.482 -9.595 19 HB3 LEU 2 HB3 LEU 2 7.727 5.088 -9.832 20 HG LEU 2 HG LEU 2 8.672 2.283 -9.899 21 HD11 LEU 2 HD11 LEU 2 6.761 3.915 -8.341 22 HD12 LEU 2 HD12 LEU 2 7.997 2.803 -7.745 23 HD13 LEU 2 HD13 LEU 2 6.515 2.177 -8.507 24 HD21 LEU 2 HD21 LEU 2 5.963 3.183 -10.623 25 HD22 LEU 2 HD22 LEU 2 6.692 1.588 -10.815 26 HD23 LEU 2 HD23 LEU 2 7.276 2.933 -11.813 27 HA PRO 3 HA PRO 3 12.243 2.534 -13.146 28 HB2 PRO 3 HB2 PRO 3 12.821 1.880 -10.367 29 HB3 PRO 3 HB3 PRO 3 13.890 2.462 -11.638 30 HG2 PRO 3 HG2 PRO 3 13.021 4.062 -9.693 31 HG3 PRO 3 HG3 PRO 3 13.281 4.651 -11.330 32 HD2 PRO 3 HD2 PRO 3 10.749 4.066 -9.909 33 HD3 PRO 3 HD3 PRO 3 11.094 5.255 -11.136 34 HA PRO 4 HA PRO 4 11.283 -1.721 -13.284 35 HB2 PRO 4 HB2 PRO 4 14.121 -1.965 -12.701 36 HB3 PRO 4 HB3 PRO 4 13.166 -2.735 -13.930 37 HG2 PRO 4 HG2 PRO 4 14.566 -0.813 -14.741 38 HG3 PRO 4 HG3 PRO 4 12.844 -0.698 -15.061 39 HD2 PRO 4 HD2 PRO 4 14.302 0.490 -12.829 40 HD3 PRO 4 HD3 PRO 4 13.319 1.268 -14.036 41 H GLY 5 H GLY 5 11.007 -3.501 -12.137 42 HA2 GLY 5 HA2 GLY 5 10.888 -4.838 -10.264 43 HA3 GLY 5 HA3 GLY 5 12.061 -3.767 -9.534 44 H TRP 6 H TRP 6 10.373 -1.358 -10.043 45 HA TRP 6 HA TRP 6 8.927 -1.356 -7.626 46 HB2 TRP 6 HB2 TRP 6 9.350 0.540 -9.845 47 HB3 TRP 6 HB3 TRP 6 8.037 0.836 -8.785 48 HD1 TRP 6 HD1 TRP 6 11.172 1.966 -9.415 49 HE1 TRP 6 HE1 TRP 6 12.467 2.838 -7.390 50 HE3 TRP 6 HE3 TRP 6 8.201 0.214 -5.873 51 HZ2 TRP 6 HZ2 TRP 6 12.146 2.783 -4.567 52 HZ3 TRP 6 HZ3 TRP 6 8.681 0.657 -3.564 53 HH2 TRP 6 HH2 TRP 6 10.536 1.912 -2.909 54 H GLU 7 H GLU 7 6.733 -1.085 -7.341 55 HA GLU 7 HA GLU 7 4.876 -1.052 -9.462 56 HB2 GLU 7 HB2 GLU 7 3.721 -3.191 -8.869 57 HB3 GLU 7 HB3 GLU 7 5.215 -3.364 -9.772 58 HG2 GLU 7 HG2 GLU 7 6.322 -4.344 -8.029 59 HG3 GLU 7 HG3 GLU 7 5.346 -3.532 -6.807 60 H LYS 8 H LYS 8 3.711 0.441 -8.610 61 HA LYS 8 HA LYS 8 3.382 1.060 -5.950 62 HB2 LYS 8 HB2 LYS 8 2.510 2.406 -8.056 63 HB3 LYS 8 HB3 LYS 8 1.088 1.370 -7.974 64 HG2 LYS 8 HG2 LYS 8 1.213 3.768 -6.774 65 HG3 LYS 8 HG3 LYS 8 0.210 2.441 -6.188 66 HD2 LYS 8 HD2 LYS 8 1.577 2.024 -4.396 67 HD3 LYS 8 HD3 LYS 8 3.002 2.703 -5.178 68 HE2 LYS 8 HE2 LYS 8 1.643 4.932 -5.063 69 HE3 LYS 8 HE3 LYS 8 0.735 4.092 -3.809 70 HZ1 LYS 8 HZ1 LYS 8 3.462 3.741 -3.294 71 HZ2 LYS 8 HZ2 LYS 8 2.328 4.597 -2.381 72 HZ3 LYS 8 HZ3 LYS 8 3.206 5.386 -3.590 73 H ARG 9 H ARG 9 2.001 0.307 -4.311 74 HA ARG 9 HA ARG 9 0.012 -1.761 -4.964 75 HB2 ARG 9 HB2 ARG 9 2.259 -1.981 -2.968 76 HB3 ARG 9 HB3 ARG 9 0.800 -2.950 -2.821 77 HG2 ARG 9 HG2 ARG 9 1.259 -4.167 -4.741 78 HG3 ARG 9 HG3 ARG 9 2.369 -2.946 -5.367 79 HD2 ARG 9 HD2 ARG 9 3.474 -5.023 -4.480 80 HD3 ARG 9 HD3 ARG 9 4.028 -3.534 -3.745 81 HE ARG 9 HE ARG 9 3.060 -4.151 -1.796 82 HH11 ARG 9 HH11 ARG 9 2.156 -6.450 -4.294 83 HH12 ARG 9 HH12 ARG 9 1.841 -7.711 -3.151 84 HH21 ARG 9 HH21 ARG 9 2.754 -5.725 -0.433 85 HH22 ARG 9 HH22 ARG 9 2.172 -7.292 -0.887 86 H CYS 10 H CYS 10 -1.743 -1.937 -3.437 87 HA CYS 10 HA CYS 10 -1.771 0.132 -1.354 88 HB2 CYS 10 HB2 CYS 10 -4.122 -0.266 -3.199 89 HB3 CYS 10 HB3 CYS 10 -3.936 0.952 -1.949 90 H PHE 11 H PHE 11 -2.030 -0.873 0.495 91 HA PHE 11 HA PHE 11 -4.088 -2.966 0.650 92 HB2 PHE 11 HB2 PHE 11 -2.900 -4.081 2.423 93 HB3 PHE 11 HB3 PHE 11 -1.738 -3.785 1.126 94 HD1 PHE 11 HD2 PHE 11 -2.922 -2.642 4.421 95 HD2 PHE 11 HD1 PHE 11 0.202 -2.474 1.534 96 HE1 PHE 11 HE2 PHE 11 -1.446 -1.566 6.076 97 HE2 PHE 11 HE1 PHE 11 1.672 -1.390 3.185 98 HZ PHE 11 HZ PHE 11 0.847 -0.934 5.456 99 H TYR 12 H TYR 12 -5.717 -2.620 2.068 100 HA TYR 12 HA TYR 12 -5.944 -0.085 3.409 101 HB2 TYR 12 HB2 TYR 12 -7.702 -2.454 2.977 102 HB3 TYR 12 HB3 TYR 12 -8.011 -1.518 4.435 103 HD1 TYR 12 HD1 TYR 12 -8.622 0.882 4.252 104 HD2 TYR 12 HD2 TYR 12 -8.237 -1.532 0.784 105 HE1 TYR 12 HE1 TYR 12 -9.875 2.481 3.033 106 HE2 TYR 12 HE2 TYR 12 -9.480 0.083 -0.503 107 HH TYR 12 HH TYR 12 -11.293 2.557 0.920 108 H PHE 13 H PHE 13 -5.749 0.255 5.664 109 HA PHE 13 HA PHE 13 -4.894 -2.138 7.204 110 HB2 PHE 13 HB2 PHE 13 -3.010 -0.485 6.643 111 HB3 PHE 13 HB3 PHE 13 -3.798 0.611 7.780 112 HD1 PHE 13 HD1 PHE 13 -2.279 -2.719 7.449 113 HD2 PHE 13 HD2 PHE 13 -3.549 0.298 10.139 114 HE1 PHE 13 HE1 PHE 13 -1.138 -3.873 9.268 115 HE2 PHE 13 HE2 PHE 13 -2.392 -0.812 11.976 116 HZ PHE 13 HZ PHE 13 -1.174 -2.923 11.550 117 H ASN 14 H ASN 14 -6.223 -2.556 8.734 118 HA ASN 14 HA ASN 14 -7.945 -0.454 9.719 119 HB2 ASN 14 HB2 ASN 14 -9.083 -2.541 9.167 120 HB3 ASN 14 HB3 ASN 14 -8.090 -3.432 10.254 121 HD21 ASN 14 HD21 ASN 14 -10.915 -1.684 9.911 122 HD22 ASN 14 HD22 ASN 14 -11.385 -1.627 11.563 123 H ARG 15 H ARG 15 -6.118 0.578 10.761 124 HA ARG 15 HA ARG 15 -4.338 -0.472 12.477 125 HB2 ARG 15 HB2 ARG 15 -3.736 1.638 12.407 126 HB3 ARG 15 HB3 ARG 15 -5.368 2.192 12.049 127 HG2 ARG 15 HG2 ARG 15 -5.876 2.566 14.264 128 HG3 ARG 15 HG3 ARG 15 -4.646 1.443 14.846 129 HD2 ARG 15 HD2 ARG 15 -3.948 3.995 13.414 130 HD3 ARG 15 HD3 ARG 15 -4.175 3.928 15.162 131 HE ARG 15 HE ARG 15 -1.915 2.996 13.678 132 HH11 ARG 15 HH11 ARG 15 -3.764 2.483 16.610 133 HH12 ARG 15 HH12 ARG 15 -2.439 1.772 17.465 134 HH21 ARG 15 HH21 ARG 15 -0.176 2.056 14.812 135 HH22 ARG 15 HH22 ARG 15 -0.403 1.530 16.447 136 H ILE 16 H ILE 16 -7.786 -0.326 13.284 137 HA ILE 16 HA ILE 16 -7.510 -0.427 16.041 138 HB ILE 16 HB ILE 16 -9.561 -1.405 14.138 139 HG12 ILE 16 HG12 ILE 16 -10.409 0.620 14.323 140 HG13 ILE 16 HG13 ILE 16 -10.394 0.529 16.050 141 HG21 ILE 16 HG21 ILE 16 -9.396 -1.514 17.101 142 HG22 ILE 16 HG22 ILE 16 -9.491 -2.876 15.974 143 HG23 ILE 16 HG23 ILE 16 -10.890 -1.795 16.194 144 HD11 ILE 16 HD11 ILE 16 -8.843 2.085 16.151 145 HD12 ILE 16 HD12 ILE 16 -8.983 2.263 14.399 146 HD13 ILE 16 HD13 ILE 16 -7.785 1.159 15.090 147 H THR 17 H THR 17 -7.930 -2.746 13.524 148 HA THR 17 HA THR 17 -7.134 -4.909 15.195 149 HB THR 17 HB THR 17 -8.323 -6.327 13.778 150 HG1 THR 17 HG1 THR 17 -7.527 -5.271 11.819 151 HG21 THR 17 HG21 THR 17 -9.814 -3.722 13.911 152 HG22 THR 17 HG22 THR 17 -9.574 -4.844 15.258 153 HG23 THR 17 HG23 THR 17 -10.503 -5.365 13.845 154 H GLY 18 H GLY 18 -5.588 -2.781 13.799 155 HA2 GLY 18 HA2 GLY 18 -3.907 -2.490 12.275 156 HA3 GLY 18 HA3 GLY 18 -3.141 -3.716 13.227 157 H LYS 19 H LYS 19 -6.021 -4.237 11.394 158 HA LYS 19 HA LYS 19 -5.025 -6.442 9.982 159 HB2 LYS 19 HB2 LYS 19 -7.496 -4.935 10.155 160 HB3 LYS 19 HB3 LYS 19 -7.205 -5.765 8.628 161 HG2 LYS 19 HG2 LYS 19 -6.860 -7.822 9.840 162 HG3 LYS 19 HG3 LYS 19 -7.243 -6.971 11.362 163 HD2 LYS 19 HD2 LYS 19 -9.385 -7.502 10.990 164 HD3 LYS 19 HD3 LYS 19 -9.351 -6.377 9.631 165 HE2 LYS 19 HE2 LYS 19 -10.003 -8.211 8.479 166 HE3 LYS 19 HE3 LYS 19 -8.269 -8.526 8.450 167 HZ1 LYS 19 HZ1 LYS 19 -10.183 -9.636 10.433 168 HZ2 LYS 19 HZ2 LYS 19 -8.523 -9.956 10.373 169 HZ3 LYS 19 HZ3 LYS 19 -9.530 -10.480 9.120 170 H ARG 20 H ARG 20 -4.941 -6.750 7.743 171 HA ARG 20 HA ARG 20 -4.684 -4.403 6.098 172 HB2 ARG 20 HB2 ARG 20 -2.607 -4.940 5.152 173 HB3 ARG 20 HB3 ARG 20 -2.441 -4.995 6.933 174 HG2 ARG 20 HG2 ARG 20 -2.805 -7.514 6.705 175 HG3 ARG 20 HG3 ARG 20 -2.484 -7.272 4.987 176 HD2 ARG 20 HD2 ARG 20 -0.337 -6.129 5.687 177 HD3 ARG 20 HD3 ARG 20 -0.649 -6.738 7.312 178 HE ARG 20 HE ARG 20 0.289 -8.234 5.049 179 HH11 ARG 20 HH11 ARG 20 -1.391 -8.459 8.114 180 HH12 ARG 20 HH12 ARG 20 -1.015 -10.133 8.336 181 HH21 ARG 20 HH21 ARG 20 0.778 -10.441 5.347 182 HH22 ARG 20 HH22 ARG 20 0.216 -11.259 6.766 183 H GLN 21 H GLN 21 -5.363 -4.589 4.142 184 HA GLN 21 HA GLN 21 -5.612 -7.142 2.840 185 HB2 GLN 21 HB2 GLN 21 -8.114 -5.931 2.574 186 HB3 GLN 21 HB3 GLN 21 -7.756 -7.493 3.241 187 HG2 GLN 21 HG2 GLN 21 -7.279 -6.229 5.389 188 HG3 GLN 21 HG3 GLN 21 -8.015 -4.870 4.603 189 HE21 GLN 21 HE21 GLN 21 -10.201 -5.443 3.603 190 HE22 GLN 21 HE22 GLN 21 -11.235 -6.359 4.617 191 H PHE 22 H PHE 22 -5.728 -6.844 0.561 192 HA PHE 22 HA PHE 22 -5.149 -4.139 -0.331 193 HB2 PHE 22 HB2 PHE 22 -5.551 -6.729 -1.850 194 HB3 PHE 22 HB3 PHE 22 -5.063 -5.217 -2.601 195 HD1 PHE 22 HD2 PHE 22 -2.981 -4.130 -1.051 196 HD2 PHE 22 HD1 PHE 22 -3.825 -8.233 -1.725 197 HE1 PHE 22 HE2 PHE 22 -0.644 -4.678 -0.607 198 HE2 PHE 22 HE1 PHE 22 -1.489 -8.790 -1.281 199 HZ PHE 22 HZ PHE 22 0.087 -7.007 -0.725 200 H GLU 23 H GLU 23 -7.645 -4.389 0.885 201 HA GLU 23 HA GLU 23 -9.584 -3.753 -1.193 202 HB2 GLU 23 HB2 GLU 23 -10.577 -5.724 -0.830 203 HB3 GLU 23 HB3 GLU 23 -9.460 -6.089 0.494 204 HG2 GLU 23 HG2 GLU 23 -10.882 -4.735 2.013 205 HG3 GLU 23 HG3 GLU 23 -12.020 -4.519 0.684 206 H ARG 24 H ARG 24 -11.383 -2.718 -0.540 207 HA ARG 24 HA ARG 24 -11.207 -1.288 2.000 208 HB2 ARG 24 HB2 ARG 24 -11.499 0.068 -0.017 209 HB3 ARG 24 HB3 ARG 24 -12.981 -0.806 -0.397 210 HG2 ARG 24 HG2 ARG 24 -13.776 -0.103 1.872 211 HG3 ARG 24 HG3 ARG 24 -12.427 1.049 1.876 212 HD2 ARG 24 HD2 ARG 24 -13.303 2.261 0.117 213 HD3 ARG 24 HD3 ARG 24 -14.273 0.907 -0.463 214 HE ARG 24 HE ARG 24 -14.973 2.856 1.531 215 HH11 ARG 24 HH11 ARG 24 -15.655 -0.342 0.275 216 HH12 ARG 24 HH12 ARG 24 -17.273 -0.378 0.889 217 HH21 ARG 24 HH21 ARG 24 -17.124 2.799 2.339 218 HH22 ARG 24 HH22 ARG 24 -18.105 1.402 2.060 219 HA PRO 25 HA PRO 25 -13.362 -4.927 3.326 220 HB2 PRO 25 HB2 PRO 25 -13.670 -3.410 5.714 221 HB3 PRO 25 HB3 PRO 25 -12.917 -4.952 5.445 222 HG2 PRO 25 HG2 PRO 25 -11.512 -2.687 5.856 223 HG3 PRO 25 HG3 PRO 25 -10.904 -4.020 4.977 224 HD2 PRO 25 HD2 PRO 25 -11.703 -1.428 3.957 225 HD3 PRO 25 HD3 PRO 25 -10.666 -2.689 3.275 226 H SER 26 H SER 26 -15.208 -5.656 3.594 227 HA SER 26 HA SER 26 -17.451 -4.595 2.577 228 HB2 SER 26 HB2 SER 26 -17.174 -6.929 2.924 229 HB3 SER 26 HB3 SER 26 -17.174 -6.657 4.673 230 HG SER 26 HG SER 26 -19.282 -6.874 2.919 231 H ASP 27 H ASP 27 -16.344 -4.563 5.721 232 HA ASP 27 HA ASP 27 -16.784 -3.179 7.468 233 HB2 ASP 27 HB2 ASP 27 -17.251 -1.228 6.670 234 HB3 ASP 27 HB3 ASP 27 -17.876 -1.956 5.195 235 H1 LYS 1 H1 LYS 1 -16.551 6.516 2.925 236 H2 LYS 1 H2 LYS 1 -16.491 6.099 4.589 237 H3 LYS 1 H3 LYS 1 -17.593 5.303 3.541 238 HA LYS 1 HA LYS 1 -15.865 4.269 2.371 239 HB2 LYS 1 HB2 LYS 1 -13.527 4.660 2.923 240 HB3 LYS 1 HB3 LYS 1 -14.304 6.175 2.490 241 HG2 LYS 1 HG2 LYS 1 -14.346 5.584 5.358 242 HG3 LYS 1 HG3 LYS 1 -12.732 5.785 4.676 243 HD2 LYS 1 HD2 LYS 1 -14.921 7.759 4.112 244 HD3 LYS 1 HD3 LYS 1 -13.942 7.872 5.573 245 HE2 LYS 1 HE2 LYS 1 -12.896 7.863 2.750 246 HE3 LYS 1 HE3 LYS 1 -13.093 9.286 3.767 247 HZ1 LYS 1 HZ1 LYS 1 -11.589 7.867 5.371 248 HZ2 LYS 1 HZ2 LYS 1 -10.914 8.826 4.153 249 HZ3 LYS 1 HZ3 LYS 1 -11.089 7.160 3.917 250 H LEU 2 H LEU 2 -14.290 2.558 3.321 251 HA LEU 2 HA LEU 2 -15.525 0.841 4.898 252 HB2 LEU 2 HB2 LEU 2 -13.571 -0.388 5.049 253 HB3 LEU 2 HB3 LEU 2 -13.442 0.528 3.572 254 HG LEU 2 HG LEU 2 -12.068 1.045 6.152 255 HD11 LEU 2 HD11 LEU 2 -11.279 0.268 3.409 256 HD12 LEU 2 HD12 LEU 2 -10.767 -0.450 4.940 257 HD13 LEU 2 HD13 LEU 2 -10.163 1.154 4.451 258 HD21 LEU 2 HD21 LEU 2 -12.031 2.665 3.693 259 HD22 LEU 2 HD22 LEU 2 -11.199 2.995 5.214 260 HD23 LEU 2 HD23 LEU 2 -12.982 3.021 5.161 261 HA PRO 3 HA PRO 3 -15.838 1.133 9.208 262 HB2 PRO 3 HB2 PRO 3 -13.802 -0.948 9.399 263 HB3 PRO 3 HB3 PRO 3 -15.424 -0.896 10.069 264 HG2 PRO 3 HG2 PRO 3 -14.855 -2.337 7.892 265 HG3 PRO 3 HG3 PRO 3 -16.410 -1.535 8.093 266 HD2 PRO 3 HD2 PRO 3 -14.137 -0.841 6.332 267 HD3 PRO 3 HD3 PRO 3 -15.846 -0.542 6.122 268 HA PRO 4 HA PRO 4 -12.956 3.456 11.498 269 HB2 PRO 4 HB2 PRO 4 -13.554 1.431 13.499 270 HB3 PRO 4 HB3 PRO 4 -13.517 3.162 13.640 271 HG2 PRO 4 HG2 PRO 4 -15.819 2.171 13.451 272 HG3 PRO 4 HG3 PRO 4 -15.405 3.389 12.257 273 HD2 PRO 4 HD2 PRO 4 -15.240 0.490 11.948 274 HD3 PRO 4 HD3 PRO 4 -16.115 1.652 10.991 275 H GLY 5 H GLY 5 -10.960 3.516 12.223 276 HA2 GLY 5 HA2 GLY 5 -8.813 2.807 12.622 277 HA3 GLY 5 HA3 GLY 5 -9.454 1.180 12.653 278 H TRP 6 H TRP 6 -10.663 1.565 9.886 279 HA TRP 6 HA TRP 6 -8.453 0.602 8.422 280 HB2 TRP 6 HB2 TRP 6 -11.276 1.200 7.808 281 HB3 TRP 6 HB3 TRP 6 -10.180 1.053 6.499 282 HD1 TRP 6 HD1 TRP 6 -12.622 -0.714 7.993 283 HE1 TRP 6 HE1 TRP 6 -12.326 -3.259 8.020 284 HE3 TRP 6 HE3 TRP 6 -7.869 -0.860 6.594 285 HZ2 TRP 6 HZ2 TRP 6 -10.211 -5.096 7.416 286 HZ3 TRP 6 HZ3 TRP 6 -6.759 -2.980 6.280 287 HH2 TRP 6 HH2 TRP 6 -7.863 -5.017 6.629 288 H GLU 7 H GLU 7 -7.331 1.561 6.815 289 HA GLU 7 HA GLU 7 -8.092 4.116 5.793 290 HB2 GLU 7 HB2 GLU 7 -5.308 4.158 6.821 291 HB3 GLU 7 HB3 GLU 7 -6.434 5.475 6.552 292 HG2 GLU 7 HG2 GLU 7 -7.531 5.097 8.602 293 HG3 GLU 7 HG3 GLU 7 -6.774 3.517 8.803 294 H LYS 8 H LYS 8 -8.007 3.582 3.787 295 HA LYS 8 HA LYS 8 -6.536 1.594 2.587 296 HB2 LYS 8 HB2 LYS 8 -8.387 3.184 1.516 297 HB3 LYS 8 HB3 LYS 8 -7.032 4.253 1.135 298 HG2 LYS 8 HG2 LYS 8 -5.966 2.499 -0.183 299 HG3 LYS 8 HG3 LYS 8 -7.281 1.392 0.205 300 HD2 LYS 8 HD2 LYS 8 -8.829 2.598 -1.072 301 HD3 LYS 8 HD3 LYS 8 -7.809 4.038 -1.108 302 HE2 LYS 8 HE2 LYS 8 -6.409 3.164 -2.727 303 HE3 LYS 8 HE3 LYS 8 -6.833 1.497 -2.340 304 HZ1 LYS 8 HZ1 LYS 8 -8.669 3.440 -3.634 305 HZ2 LYS 8 HZ2 LYS 8 -8.964 1.796 -3.368 306 HZ3 LYS 8 HZ3 LYS 8 -7.767 2.274 -4.464 307 H ARG 9 H ARG 9 -4.357 1.371 2.135 308 HA ARG 9 HA ARG 9 -2.654 3.786 2.165 309 HB2 ARG 9 HB2 ARG 9 -1.700 1.088 3.109 310 HB3 ARG 9 HB3 ARG 9 -0.952 2.658 3.360 311 HG2 ARG 9 HG2 ARG 9 -3.126 3.178 4.691 312 HG3 ARG 9 HG3 ARG 9 -3.277 1.422 4.758 313 HD2 ARG 9 HD2 ARG 9 -2.098 2.358 6.723 314 HD3 ARG 9 HD3 ARG 9 -1.092 1.255 5.807 315 HE ARG 9 HE ARG 9 0.294 2.941 5.366 316 HH11 ARG 9 HH11 ARG 9 -2.752 4.347 6.413 317 HH12 ARG 9 HH12 ARG 9 -2.031 5.881 6.765 318 HH21 ARG 9 HH21 ARG 9 1.163 4.785 5.886 319 HH22 ARG 9 HH22 ARG 9 0.258 6.154 6.443 320 H CYS 10 H CYS 10 -0.786 3.752 0.791 321 HA CYS 10 HA CYS 10 -0.588 1.498 -1.056 322 HB2 CYS 10 HB2 CYS 10 -0.702 4.287 -2.189 323 HB3 CYS 10 HB3 CYS 10 -0.733 2.759 -3.050 324 H PHE 11 H PHE 11 1.424 0.847 -0.805 325 HA PHE 11 HA PHE 11 3.539 2.891 -0.846 326 HB2 PHE 11 HB2 PHE 11 4.969 1.473 0.476 327 HB3 PHE 11 HB3 PHE 11 3.404 1.542 1.287 328 HD1 PHE 11 HD2 PHE 11 5.596 -0.514 -0.854 329 HD2 PHE 11 HD1 PHE 11 2.157 -0.446 1.672 330 HE1 PHE 11 HE2 PHE 11 5.561 -2.985 -0.836 331 HE2 PHE 11 HE1 PHE 11 2.117 -2.916 1.691 332 HZ PHE 11 HZ PHE 11 3.821 -4.186 0.436 333 H TYR 12 H TYR 12 5.107 2.711 -2.373 334 HA TYR 12 HA TYR 12 4.720 0.882 -4.565 335 HB2 TYR 12 HB2 TYR 12 6.481 3.223 -3.997 336 HB3 TYR 12 HB3 TYR 12 7.122 2.025 -5.116 337 HD1 TYR 12 HD1 TYR 12 5.893 1.513 -7.213 338 HD2 TYR 12 HD2 TYR 12 4.631 4.668 -4.664 339 HE1 TYR 12 HE1 TYR 12 4.633 2.425 -9.011 340 HE2 TYR 12 HE2 TYR 12 3.300 5.609 -6.452 341 HH TYR 12 HH TYR 12 2.187 4.411 -8.765 342 H PHE 13 H PHE 13 6.088 -0.877 -5.079 343 HA PHE 13 HA PHE 13 8.230 -1.466 -3.098 344 HB2 PHE 13 HB2 PHE 13 6.072 -2.856 -2.784 345 HB3 PHE 13 HB3 PHE 13 6.544 -3.668 -4.279 346 HD1 PHE 13 HD1 PHE 13 7.430 -3.041 -0.799 347 HD2 PHE 13 HD2 PHE 13 8.515 -5.132 -4.347 348 HE1 PHE 13 HE1 PHE 13 8.934 -4.460 0.503 349 HE2 PHE 13 HE2 PHE 13 9.975 -6.604 -3.067 350 HZ PHE 13 HZ PHE 13 10.214 -6.270 -0.615 351 H ASN 14 H ASN 14 10.058 -1.514 -4.139 352 HA ASN 14 HA ASN 14 10.080 -2.260 -6.922 353 HB2 ASN 14 HB2 ASN 14 12.565 -1.568 -6.715 354 HB3 ASN 14 HB3 ASN 14 11.355 -0.330 -6.766 355 HD21 ASN 14 HD21 ASN 14 13.666 0.452 -5.915 356 HD22 ASN 14 HD22 ASN 14 13.685 0.654 -4.200 357 H ARG 15 H ARG 15 9.824 -4.516 -6.586 358 HA ARG 15 HA ARG 15 11.155 -6.037 -4.769 359 HB2 ARG 15 HB2 ARG 15 9.452 -7.122 -5.791 360 HB3 ARG 15 HB3 ARG 15 9.954 -6.657 -7.418 361 HG2 ARG 15 HG2 ARG 15 11.244 -8.459 -7.663 362 HG3 ARG 15 HG3 ARG 15 11.848 -8.379 -6.009 363 HD2 ARG 15 HD2 ARG 15 9.123 -9.401 -6.802 364 HD3 ARG 15 HD3 ARG 15 10.515 -10.423 -6.443 365 HE ARG 15 HE ARG 15 8.798 -9.124 -4.562 366 HH11 ARG 15 HH11 ARG 15 12.069 -10.286 -5.046 367 HH12 ARG 15 HH12 ARG 15 12.382 -10.472 -3.354 368 HH21 ARG 15 HH21 ARG 15 9.221 -9.370 -2.336 369 HH22 ARG 15 HH22 ARG 15 10.766 -9.954 -1.816 370 H ILE 16 H ILE 16 12.759 -4.335 -7.326 371 HA ILE 16 HA ILE 16 14.870 -6.077 -7.794 372 HB ILE 16 HB ILE 16 14.532 -3.136 -7.934 373 HG12 ILE 16 HG12 ILE 16 13.778 -3.588 -9.958 374 HG13 ILE 16 HG13 ILE 16 15.269 -4.370 -10.347 375 HG21 ILE 16 HG21 ILE 16 16.879 -4.879 -8.483 376 HG22 ILE 16 HG22 ILE 16 16.747 -3.619 -7.248 377 HG23 ILE 16 HG23 ILE 16 16.774 -3.182 -8.974 378 HD11 ILE 16 HD11 ILE 16 14.349 -6.398 -10.326 379 HD12 ILE 16 HD12 ILE 16 12.836 -5.501 -10.507 380 HD13 ILE 16 HD13 ILE 16 13.364 -6.040 -8.909 381 H THR 17 H THR 17 14.348 -3.308 -5.785 382 HA THR 17 HA THR 17 16.488 -4.032 -4.037 383 HB THR 17 HB THR 17 16.888 -1.844 -3.608 384 HG1 THR 17 HG1 THR 17 14.704 -1.431 -2.924 385 HG21 THR 17 HG21 THR 17 15.579 -1.694 -6.311 386 HG22 THR 17 HG22 THR 17 17.168 -2.390 -5.972 387 HG23 THR 17 HG23 THR 17 16.890 -0.671 -5.673 388 H GLY 18 H GLY 18 13.694 -4.958 -4.363 389 HA2 GLY 18 HA2 GLY 18 11.718 -5.137 -3.214 390 HA3 GLY 18 HA3 GLY 18 12.781 -5.886 -2.064 391 H LYS 19 H LYS 19 12.820 -2.489 -2.963 392 HA LYS 19 HA LYS 19 12.475 -1.750 -0.213 393 HB2 LYS 19 HB2 LYS 19 13.319 -0.477 -2.686 394 HB3 LYS 19 HB3 LYS 19 12.557 0.559 -1.476 395 HG2 LYS 19 HG2 LYS 19 14.134 -0.468 0.148 396 HG3 LYS 19 HG3 LYS 19 15.000 -1.113 -1.273 397 HD2 LYS 19 HD2 LYS 19 15.703 0.978 -1.939 398 HD3 LYS 19 HD3 LYS 19 14.342 1.801 -1.174 399 HE2 LYS 19 HE2 LYS 19 15.318 1.683 0.952 400 HE3 LYS 19 HE3 LYS 19 16.464 0.440 0.453 401 HZ1 LYS 19 HZ1 LYS 19 16.486 3.266 -0.465 402 HZ2 LYS 19 HZ2 LYS 19 17.596 2.072 -0.914 403 HZ3 LYS 19 HZ3 LYS 19 17.527 2.600 0.691 404 H ARG 20 H ARG 20 11.049 -0.126 0.501 405 HA ARG 20 HA ARG 20 8.604 0.071 -1.064 406 HB2 ARG 20 HB2 ARG 20 7.203 -0.252 0.831 407 HB3 ARG 20 HB3 ARG 20 8.360 -1.607 0.700 408 HG2 ARG 20 HG2 ARG 20 9.419 0.460 2.392 409 HG3 ARG 20 HG3 ARG 20 7.826 -0.050 2.953 410 HD2 ARG 20 HD2 ARG 20 8.526 -2.159 3.449 411 HD3 ARG 20 HD3 ARG 20 9.740 -2.174 2.171 412 HE ARG 20 HE ARG 20 10.357 -0.366 4.316 413 HH11 ARG 20 HH11 ARG 20 10.595 -3.687 3.230 414 HH12 ARG 20 HH12 ARG 20 11.966 -4.042 4.226 415 HH21 ARG 20 HH21 ARG 20 12.163 -0.840 5.624 416 HH22 ARG 20 HH22 ARG 20 12.856 -2.427 5.586 417 H GLN 21 H GLN 21 7.558 1.899 -1.086 418 HA GLN 21 HA GLN 21 8.154 3.999 0.799 419 HB2 GLN 21 HB2 GLN 21 8.331 5.190 -1.714 420 HB3 GLN 21 HB3 GLN 21 9.542 5.153 -0.472 421 HG2 GLN 21 HG2 GLN 21 10.141 2.879 -1.423 422 HG3 GLN 21 HG3 GLN 21 9.120 3.310 -2.757 423 HE21 GLN 21 HE21 GLN 21 9.651 5.546 -3.655 424 HE22 GLN 21 HE22 GLN 21 11.322 5.852 -3.882 425 H PHE 22 H PHE 22 6.439 5.530 0.863 426 HA PHE 22 HA PHE 22 4.011 4.696 -0.505 427 HB2 PHE 22 HB2 PHE 22 4.663 6.946 1.402 428 HB3 PHE 22 HB3 PHE 22 3.072 6.757 0.679 429 HD1 PHE 22 HD1 PHE 22 1.982 4.382 1.003 430 HD2 PHE 22 HD2 PHE 22 5.086 5.944 3.456 431 HE1 PHE 22 HE1 PHE 22 1.351 2.818 2.781 432 HE2 PHE 22 HE2 PHE 22 4.465 4.383 5.242 433 HZ PHE 22 HZ PHE 22 2.601 2.830 4.891 434 H GLU 23 H GLU 23 6.067 5.436 -2.237 435 HA GLU 23 HA GLU 23 5.055 7.762 -3.672 436 HB2 GLU 23 HB2 GLU 23 6.853 8.921 -3.012 437 HB3 GLU 23 HB3 GLU 23 7.520 7.496 -2.201 438 HG2 GLU 23 HG2 GLU 23 8.429 6.729 -4.379 439 HG3 GLU 23 HG3 GLU 23 7.852 8.231 -5.099 440 H ARG 24 H ARG 24 5.696 7.963 -5.744 441 HA ARG 24 HA ARG 24 6.585 5.511 -7.058 442 HB2 ARG 24 HB2 ARG 24 4.521 6.479 -7.906 443 HB3 ARG 24 HB3 ARG 24 5.337 8.013 -8.201 444 HG2 ARG 24 HG2 ARG 24 6.948 6.586 -9.579 445 HG3 ARG 24 HG3 ARG 24 5.626 5.404 -9.598 446 HD2 ARG 24 HD2 ARG 24 4.743 8.117 -10.178 447 HD3 ARG 24 HD3 ARG 24 5.967 7.570 -11.318 448 HE ARG 24 HE ARG 24 4.512 5.980 -12.129 449 HH11 ARG 24 HH11 ARG 24 3.063 7.668 -9.420 450 HH12 ARG 24 HH12 ARG 24 1.468 7.090 -9.758 451 HH21 ARG 24 HH21 ARG 24 2.407 5.222 -12.564 452 HH22 ARG 24 HH22 ARG 24 1.095 5.701 -11.540 453 HA PRO 25 HA PRO 25 10.531 7.356 -6.204 454 HB2 PRO 25 HB2 PRO 25 11.372 5.223 -7.923 455 HB3 PRO 25 HB3 PRO 25 11.858 5.621 -6.302 456 HG2 PRO 25 HG2 PRO 25 10.197 3.586 -6.830 457 HG3 PRO 25 HG3 PRO 25 10.123 4.469 -5.374 458 HD2 PRO 25 HD2 PRO 25 8.242 4.503 -7.587 459 HD3 PRO 25 HD3 PRO 25 8.050 4.914 -5.879 460 H SER 26 H SER 26 12.084 8.402 -7.068 461 HA SER 26 HA SER 26 11.842 10.281 -8.819 462 HB2 SER 26 HB2 SER 26 13.826 10.031 -7.559 463 HB3 SER 26 HB3 SER 26 14.270 8.616 -8.523 464 HG SER 26 HG SER 26 15.048 9.902 -10.001 465 H ASP 27 H ASP 27 12.737 7.156 -9.695 466 HA ASP 27 HA ASP 27 12.541 5.995 -11.626 467 HB2 ASP 27 HB2 ASP 27 10.548 6.469 -12.292 468 HB3 ASP 27 HB3 ASP 27 10.689 8.122 -11.698 Start of MODEL 10 1 H1 LYS 1 H1 LYS 1 5.626 5.886 -17.534 2 H2 LYS 1 H2 LYS 1 7.269 5.534 -17.186 3 H3 LYS 1 H3 LYS 1 6.414 6.677 -16.234 4 HA LYS 1 HA LYS 1 5.021 5.035 -15.353 5 HB2 LYS 1 HB2 LYS 1 5.241 2.686 -16.022 6 HB3 LYS 1 HB3 LYS 1 4.816 3.697 -17.395 7 HG2 LYS 1 HG2 LYS 1 7.696 3.323 -17.056 8 HG3 LYS 1 HG3 LYS 1 6.805 1.830 -17.355 9 HD2 LYS 1 HD2 LYS 1 6.387 4.277 -19.045 10 HD3 LYS 1 HD3 LYS 1 7.680 3.129 -19.387 11 HE2 LYS 1 HE2 LYS 1 4.887 2.156 -19.015 12 HE3 LYS 1 HE3 LYS 1 5.360 2.899 -20.539 13 HZ1 LYS 1 HZ1 LYS 1 6.760 0.595 -19.296 14 HZ2 LYS 1 HZ2 LYS 1 7.064 1.258 -20.822 15 HZ3 LYS 1 HZ3 LYS 1 5.603 0.461 -20.523 16 H LEU 2 H LEU 2 5.691 3.282 -13.767 17 HA LEU 2 HA LEU 2 7.738 4.089 -12.120 18 HB2 LEU 2 HB2 LEU 2 6.398 1.472 -12.535 19 HB3 LEU 2 HB3 LEU 2 7.662 1.690 -11.359 20 HG LEU 2 HG LEU 2 5.052 3.165 -11.371 21 HD11 LEU 2 HD11 LEU 2 5.946 0.603 -10.436 22 HD12 LEU 2 HD12 LEU 2 4.317 1.270 -10.517 23 HD13 LEU 2 HD13 LEU 2 5.343 1.593 -9.105 24 HD21 LEU 2 HD21 LEU 2 6.312 3.203 -8.868 25 HD22 LEU 2 HD22 LEU 2 6.028 4.575 -9.957 26 HD23 LEU 2 HD23 LEU 2 7.546 3.674 -10.041 27 HA PRO 3 HA PRO 3 11.602 2.461 -13.584 28 HB2 PRO 3 HB2 PRO 3 12.289 2.131 -10.811 29 HB3 PRO 3 HB3 PRO 3 12.987 3.216 -12.008 30 HG2 PRO 3 HG2 PRO 3 11.483 4.173 -10.021 31 HG3 PRO 3 HG3 PRO 3 11.410 4.848 -11.638 32 HD2 PRO 3 HD2 PRO 3 9.498 2.943 -10.340 33 HD3 PRO 3 HD3 PRO 3 9.199 4.420 -11.251 34 HA PRO 4 HA PRO 4 11.508 -1.878 -13.469 35 HB2 PRO 4 HB2 PRO 4 14.293 -1.521 -12.700 36 HB3 PRO 4 HB3 PRO 4 13.577 -2.618 -13.844 37 HG2 PRO 4 HG2 PRO 4 14.617 -0.560 -14.868 38 HG3 PRO 4 HG3 PRO 4 12.931 -0.845 -15.257 39 HD2 PRO 4 HD2 PRO 4 14.003 0.924 -13.199 40 HD3 PRO 4 HD3 PRO 4 12.885 1.279 -14.486 41 H GLY 5 H GLY 5 11.066 -3.410 -12.205 42 HA2 GLY 5 HA2 GLY 5 10.836 -4.648 -10.293 43 HA3 GLY 5 HA3 GLY 5 12.082 -3.642 -9.598 44 H TRP 6 H TRP 6 10.185 -1.206 -10.339 45 HA TRP 6 HA TRP 6 8.951 -1.156 -7.758 46 HB2 TRP 6 HB2 TRP 6 9.282 0.752 -9.961 47 HB3 TRP 6 HB3 TRP 6 7.968 1.062 -8.878 48 HD1 TRP 6 HD1 TRP 6 11.089 2.196 -9.530 49 HE1 TRP 6 HE1 TRP 6 12.391 3.084 -7.552 50 HE3 TRP 6 HE3 TRP 6 8.255 0.275 -5.934 51 HZ2 TRP 6 HZ2 TRP 6 12.162 2.983 -4.718 52 HZ3 TRP 6 HZ3 TRP 6 8.817 0.708 -3.625 53 HH2 TRP 6 HH2 TRP 6 10.650 2.018 -3.021 54 H GLU 7 H GLU 7 6.833 -1.140 -7.272 55 HA GLU 7 HA GLU 7 4.821 -1.147 -9.335 56 HB2 GLU 7 HB2 GLU 7 5.187 -3.538 -7.494 57 HB3 GLU 7 HB3 GLU 7 3.722 -3.230 -8.411 58 HG2 GLU 7 HG2 GLU 7 6.391 -3.505 -9.753 59 HG3 GLU 7 HG3 GLU 7 5.394 -4.901 -9.354 60 H LYS 8 H LYS 8 3.210 0.091 -8.637 61 HA LYS 8 HA LYS 8 3.253 1.062 -5.954 62 HB2 LYS 8 HB2 LYS 8 2.440 2.363 -8.087 63 HB3 LYS 8 HB3 LYS 8 0.956 1.407 -7.951 64 HG2 LYS 8 HG2 LYS 8 0.536 2.314 -5.716 65 HG3 LYS 8 HG3 LYS 8 2.022 3.262 -5.821 66 HD2 LYS 8 HD2 LYS 8 0.836 4.895 -6.756 67 HD3 LYS 8 HD3 LYS 8 0.597 3.851 -8.158 68 HE2 LYS 8 HE2 LYS 8 -1.334 2.851 -6.689 69 HE3 LYS 8 HE3 LYS 8 -1.227 4.404 -5.862 70 HZ1 LYS 8 HZ1 LYS 8 -2.031 3.827 -8.630 71 HZ2 LYS 8 HZ2 LYS 8 -1.347 5.332 -8.270 72 HZ3 LYS 8 HZ3 LYS 8 -2.764 4.838 -7.488 73 H ARG 9 H ARG 9 2.535 -0.098 -4.317 74 HA ARG 9 HA ARG 9 0.242 -1.920 -4.684 75 HB2 ARG 9 HB2 ARG 9 2.343 -2.132 -2.523 76 HB3 ARG 9 HB3 ARG 9 1.142 -3.335 -2.975 77 HG2 ARG 9 HG2 ARG 9 2.261 -3.619 -5.141 78 HG3 ARG 9 HG3 ARG 9 3.478 -2.440 -4.652 79 HD2 ARG 9 HD2 ARG 9 4.197 -4.806 -4.349 80 HD3 ARG 9 HD3 ARG 9 4.215 -3.880 -2.863 81 HE ARG 9 HE ARG 9 2.663 -5.244 -2.038 82 HH11 ARG 9 HH11 ARG 9 2.627 -5.638 -5.530 83 HH12 ARG 9 HH12 ARG 9 1.798 -7.155 -5.443 84 HH21 ARG 9 HH21 ARG 9 1.744 -7.133 -1.957 85 HH22 ARG 9 HH22 ARG 9 1.258 -8.030 -3.357 86 H CYS 10 H CYS 10 -1.469 -1.836 -3.239 87 HA CYS 10 HA CYS 10 -1.262 0.149 -1.083 88 HB2 CYS 10 HB2 CYS 10 -3.735 -0.010 -2.787 89 HB3 CYS 10 HB3 CYS 10 -3.249 1.261 -1.674 90 H PHE 11 H PHE 11 -1.725 -0.707 0.783 91 HA PHE 11 HA PHE 11 -3.725 -2.862 0.901 92 HB2 PHE 11 HB2 PHE 11 -2.560 -3.836 2.789 93 HB3 PHE 11 HB3 PHE 11 -1.370 -3.545 1.517 94 HD1 PHE 11 HD1 PHE 11 -2.668 -2.415 4.748 95 HD2 PHE 11 HD2 PHE 11 0.425 -1.994 1.859 96 HE1 PHE 11 HE1 PHE 11 -1.318 -1.149 6.379 97 HE2 PHE 11 HE2 PHE 11 1.777 -0.725 3.479 98 HZ PHE 11 HZ PHE 11 0.904 -0.302 5.743 99 H TYR 12 H TYR 12 -5.375 -2.663 2.365 100 HA TYR 12 HA TYR 12 -5.783 -0.078 3.617 101 HB2 TYR 12 HB2 TYR 12 -7.470 -2.508 3.119 102 HB3 TYR 12 HB3 TYR 12 -7.908 -1.482 4.481 103 HD1 TYR 12 HD1 TYR 12 -7.634 -1.651 0.814 104 HD2 TYR 12 HD2 TYR 12 -8.732 0.814 4.103 105 HE1 TYR 12 HE1 TYR 12 -8.702 -0.145 -0.706 106 HE2 TYR 12 HE2 TYR 12 -9.798 2.309 2.607 107 HH TYR 12 HH TYR 12 -9.865 2.978 0.311 108 H PHE 13 H PHE 13 -5.775 0.224 5.895 109 HA PHE 13 HA PHE 13 -4.979 -2.163 7.495 110 HB2 PHE 13 HB2 PHE 13 -3.095 -0.439 7.028 111 HB3 PHE 13 HB3 PHE 13 -3.964 0.594 8.163 112 HD1 PHE 13 HD2 PHE 13 -2.051 -2.468 7.761 113 HD2 PHE 13 HD1 PHE 13 -4.106 -0.002 10.540 114 HE1 PHE 13 HE2 PHE 13 -0.960 -3.637 9.603 115 HE2 PHE 13 HE1 PHE 13 -2.989 -1.108 12.391 116 HZ PHE 13 HZ PHE 13 -1.409 -2.962 11.940 117 H ASN 14 H ASN 14 -6.515 -2.563 8.890 118 HA ASN 14 HA ASN 14 -8.166 -0.390 9.814 119 HB2 ASN 14 HB2 ASN 14 -9.451 -2.372 10.935 120 HB3 ASN 14 HB3 ASN 14 -9.659 -2.046 9.247 121 HD21 ASN 14 HD21 ASN 14 -10.447 -4.393 10.003 122 HD22 ASN 14 HD22 ASN 14 -9.329 -5.626 9.540 123 H ARG 15 H ARG 15 -6.486 0.444 11.186 124 HA ARG 15 HA ARG 15 -4.989 -0.870 12.995 125 HB2 ARG 15 HB2 ARG 15 -4.418 1.297 12.775 126 HB3 ARG 15 HB3 ARG 15 -6.070 1.892 12.910 127 HG2 ARG 15 HG2 ARG 15 -5.681 2.427 15.005 128 HG3 ARG 15 HG3 ARG 15 -5.402 0.733 15.385 129 HD2 ARG 15 HD2 ARG 15 -3.481 2.065 16.065 130 HD3 ARG 15 HD3 ARG 15 -3.040 0.977 14.753 131 HE ARG 15 HE ARG 15 -3.286 3.887 14.610 132 HH11 ARG 15 HH11 ARG 15 -2.509 0.869 12.997 133 HH12 ARG 15 HH12 ARG 15 -1.733 1.647 11.661 134 HH21 ARG 15 HH21 ARG 15 -2.255 4.894 12.846 135 HH22 ARG 15 HH22 ARG 15 -1.586 3.925 11.576 136 H ILE 16 H ILE 16 -8.480 -0.740 13.245 137 HA ILE 16 HA ILE 16 -8.732 -0.978 16.001 138 HB ILE 16 HB ILE 16 -10.359 -1.861 13.688 139 HG12 ILE 16 HG12 ILE 16 -11.140 0.199 13.827 140 HG13 ILE 16 HG13 ILE 16 -11.670 -0.121 15.440 141 HG21 ILE 16 HG21 ILE 16 -10.762 -2.173 16.619 142 HG22 ILE 16 HG22 ILE 16 -10.575 -3.461 15.420 143 HG23 ILE 16 HG23 ILE 16 -12.033 -2.439 15.417 144 HD11 ILE 16 HD11 ILE 16 -10.089 1.166 16.353 145 HD12 ILE 16 HD12 ILE 16 -10.058 1.892 14.743 146 HD13 ILE 16 HD13 ILE 16 -8.869 0.667 15.183 147 H THR 17 H THR 17 -8.680 -3.184 13.346 148 HA THR 17 HA THR 17 -7.999 -5.382 15.033 149 HB THR 17 HB THR 17 -9.045 -6.794 13.594 150 HG1 THR 17 HG1 THR 17 -7.791 -6.100 11.769 151 HG21 THR 17 HG21 THR 17 -10.543 -5.086 14.538 152 HG22 THR 17 HG22 THR 17 -11.147 -5.862 13.069 153 HG23 THR 17 HG23 THR 17 -10.469 -4.216 13.002 154 H GLY 18 H GLY 18 -6.482 -3.084 13.908 155 HA2 GLY 18 HA2 GLY 18 -4.678 -2.604 12.582 156 HA3 GLY 18 HA3 GLY 18 -3.928 -3.704 13.695 157 H LYS 19 H LYS 19 -6.383 -4.561 11.341 158 HA LYS 19 HA LYS 19 -4.639 -6.538 10.226 159 HB2 LYS 19 HB2 LYS 19 -7.470 -5.881 10.148 160 HB3 LYS 19 HB3 LYS 19 -6.803 -6.703 8.737 161 HG2 LYS 19 HG2 LYS 19 -5.807 -8.304 10.367 162 HG3 LYS 19 HG3 LYS 19 -6.905 -7.575 11.570 163 HD2 LYS 19 HD2 LYS 19 -8.750 -8.526 10.628 164 HD3 LYS 19 HD3 LYS 19 -8.101 -8.425 8.990 165 HE2 LYS 19 HE2 LYS 19 -7.872 -10.651 9.185 166 HE3 LYS 19 HE3 LYS 19 -6.424 -10.245 10.104 167 HZ1 LYS 19 HZ1 LYS 19 -7.707 -11.810 11.342 168 HZ2 LYS 19 HZ2 LYS 19 -9.110 -10.877 11.199 169 HZ3 LYS 19 HZ3 LYS 19 -7.816 -10.318 12.134 170 H ARG 20 H ARG 20 -4.368 -6.875 7.993 171 HA ARG 20 HA ARG 20 -4.514 -4.451 6.397 172 HB2 ARG 20 HB2 ARG 20 -2.345 -4.737 5.477 173 HB3 ARG 20 HB3 ARG 20 -2.234 -4.772 7.259 174 HG2 ARG 20 HG2 ARG 20 -2.490 -7.414 6.683 175 HG3 ARG 20 HG3 ARG 20 -1.567 -6.833 5.295 176 HD2 ARG 20 HD2 ARG 20 0.207 -6.120 6.616 177 HD3 ARG 20 HD3 ARG 20 -0.779 -6.058 8.076 178 HE ARG 20 HE ARG 20 -0.444 -8.321 8.386 179 HH11 ARG 20 HH11 ARG 20 0.839 -7.359 5.271 180 HH12 ARG 20 HH12 ARG 20 1.703 -8.839 5.035 181 HH21 ARG 20 HH21 ARG 20 0.695 -10.268 8.066 182 HH22 ARG 20 HH22 ARG 20 1.622 -10.491 6.620 183 H GLN 21 H GLN 21 -5.023 -4.640 4.376 184 HA GLN 21 HA GLN 21 -5.016 -7.201 3.055 185 HB2 GLN 21 HB2 GLN 21 -7.514 -6.186 2.491 186 HB3 GLN 21 HB3 GLN 21 -7.154 -7.645 3.354 187 HG2 GLN 21 HG2 GLN 21 -7.042 -6.248 5.409 188 HG3 GLN 21 HG3 GLN 21 -7.600 -4.915 4.449 189 HE21 GLN 21 HE21 GLN 21 -9.726 -5.113 3.477 190 HE22 GLN 21 HE22 GLN 21 -10.894 -6.085 4.268 191 H PHE 22 H PHE 22 -5.052 -6.943 0.764 192 HA PHE 22 HA PHE 22 -4.450 -4.233 -0.122 193 HB2 PHE 22 HB2 PHE 22 -4.613 -6.872 -1.592 194 HB3 PHE 22 HB3 PHE 22 -4.134 -5.359 -2.350 195 HD1 PHE 22 HD1 PHE 22 -2.157 -4.112 -1.028 196 HD2 PHE 22 HD2 PHE 22 -2.936 -8.282 -0.898 197 HE1 PHE 22 HE1 PHE 22 0.154 -4.518 -0.348 198 HE2 PHE 22 HE2 PHE 22 -0.627 -8.696 -0.218 199 HZ PHE 22 HZ PHE 22 0.902 -6.809 0.053 200 H GLU 23 H GLU 23 -7.017 -4.580 0.906 201 HA GLU 23 HA GLU 23 -8.780 -4.100 -1.363 202 HB2 GLU 23 HB2 GLU 23 -9.795 -6.036 -0.897 203 HB3 GLU 23 HB3 GLU 23 -8.826 -6.254 0.572 204 HG2 GLU 23 HG2 GLU 23 -10.366 -4.793 1.799 205 HG3 GLU 23 HG3 GLU 23 -11.328 -4.600 0.333 206 H ARG 24 H ARG 24 -10.486 -2.919 -1.066 207 HA ARG 24 HA ARG 24 -10.536 -1.161 1.252 208 HB2 ARG 24 HB2 ARG 24 -10.773 -0.122 -0.916 209 HB3 ARG 24 HB3 ARG 24 -12.109 -1.196 -1.318 210 HG2 ARG 24 HG2 ARG 24 -13.512 -0.196 0.216 211 HG3 ARG 24 HG3 ARG 24 -12.174 0.627 1.029 212 HD2 ARG 24 HD2 ARG 24 -11.886 1.582 -1.461 213 HD3 ARG 24 HD3 ARG 24 -13.635 1.363 -1.427 214 HE ARG 24 HE ARG 24 -12.115 3.353 -0.080 215 HH11 ARG 24 HH11 ARG 24 -15.038 1.439 0.162 216 HH12 ARG 24 HH12 ARG 24 -15.847 2.582 1.179 217 HH21 ARG 24 HH21 ARG 24 -13.188 4.854 1.260 218 HH22 ARG 24 HH22 ARG 24 -14.798 4.519 1.799 219 HA PRO 25 HA PRO 25 -12.903 -4.496 2.984 220 HB2 PRO 25 HB2 PRO 25 -13.059 -2.754 5.209 221 HB3 PRO 25 HB3 PRO 25 -12.384 -4.350 5.079 222 HG2 PRO 25 HG2 PRO 25 -10.828 -2.212 5.355 223 HG3 PRO 25 HG3 PRO 25 -10.358 -3.563 4.390 224 HD2 PRO 25 HD2 PRO 25 -11.362 -0.919 3.459 225 HD3 PRO 25 HD3 PRO 25 -10.114 -2.001 2.794 226 H SER 26 H SER 26 -14.785 -5.014 3.340 227 HA SER 26 HA SER 26 -16.999 -3.494 2.581 228 HB2 SER 26 HB2 SER 26 -16.817 -6.088 3.955 229 HB3 SER 26 HB3 SER 26 -18.229 -5.473 3.081 230 HG SER 26 HG SER 26 -15.917 -6.643 2.107 231 H ASP 27 H ASP 27 -15.492 -4.406 5.360 232 HA ASP 27 HA ASP 27 -15.536 -3.322 7.392 233 HB2 ASP 27 HB2 ASP 27 -16.851 -1.638 7.663 234 HB3 ASP 27 HB3 ASP 27 -17.501 -1.989 6.075 235 H1 LYS 1 H1 LYS 1 -18.356 5.461 4.380 236 H2 LYS 1 H2 LYS 1 -18.111 4.901 2.776 237 H3 LYS 1 H3 LYS 1 -18.145 6.585 3.102 238 HA LYS 1 HA LYS 1 -15.927 5.661 2.736 239 HB2 LYS 1 HB2 LYS 1 -14.952 6.885 4.624 240 HB3 LYS 1 HB3 LYS 1 -16.319 7.754 3.942 241 HG2 LYS 1 HG2 LYS 1 -17.139 6.008 6.099 242 HG3 LYS 1 HG3 LYS 1 -15.892 7.146 6.611 243 HD2 LYS 1 HD2 LYS 1 -17.220 8.978 6.242 244 HD3 LYS 1 HD3 LYS 1 -18.162 8.179 4.984 245 HE2 LYS 1 HE2 LYS 1 -18.315 7.388 7.874 246 HE3 LYS 1 HE3 LYS 1 -19.324 8.654 7.183 247 HZ1 LYS 1 HZ1 LYS 1 -20.564 6.661 7.110 248 HZ2 LYS 1 HZ2 LYS 1 -19.278 5.783 6.449 249 HZ3 LYS 1 HZ3 LYS 1 -20.066 6.957 5.520 250 H LEU 2 H LEU 2 -14.039 4.800 4.100 251 HA LEU 2 HA LEU 2 -14.234 2.113 4.574 252 HB2 LEU 2 HB2 LEU 2 -12.446 4.205 5.696 253 HB3 LEU 2 HB3 LEU 2 -12.297 2.525 6.121 254 HG LEU 2 HG LEU 2 -12.045 3.591 3.331 255 HD11 LEU 2 HD11 LEU 2 -10.285 3.413 5.607 256 HD12 LEU 2 HD12 LEU 2 -10.075 4.263 4.076 257 HD13 LEU 2 HD13 LEU 2 -9.645 2.546 4.208 258 HD21 LEU 2 HD21 LEU 2 -10.788 1.093 3.780 259 HD22 LEU 2 HD22 LEU 2 -12.120 1.468 2.680 260 HD23 LEU 2 HD23 LEU 2 -12.457 0.963 4.338 261 HA PRO 3 HA PRO 3 -15.983 1.318 8.577 262 HB2 PRO 3 HB2 PRO 3 -14.101 -0.856 8.741 263 HB3 PRO 3 HB3 PRO 3 -15.855 -0.905 8.664 264 HG2 PRO 3 HG2 PRO 3 -14.394 -1.691 6.578 265 HG3 PRO 3 HG3 PRO 3 -15.892 -0.803 6.348 266 HD2 PRO 3 HD2 PRO 3 -13.074 0.231 6.236 267 HD3 PRO 3 HD3 PRO 3 -14.425 0.474 5.129 268 HA PRO 4 HA PRO 4 -13.453 3.017 11.662 269 HB2 PRO 4 HB2 PRO 4 -14.244 0.607 13.090 270 HB3 PRO 4 HB3 PRO 4 -14.164 2.256 13.634 271 HG2 PRO 4 HG2 PRO 4 -16.474 1.464 13.003 272 HG3 PRO 4 HG3 PRO 4 -15.903 2.902 12.177 273 HD2 PRO 4 HD2 PRO 4 -15.848 0.154 11.203 274 HD3 PRO 4 HD3 PRO 4 -16.502 1.581 10.450 275 H GLY 5 H GLY 5 -11.527 3.085 12.302 276 HA2 GLY 5 HA2 GLY 5 -9.359 2.495 12.726 277 HA3 GLY 5 HA3 GLY 5 -9.893 0.836 12.673 278 H TRP 6 H TRP 6 -10.972 1.424 9.796 279 HA TRP 6 HA TRP 6 -8.626 0.516 8.476 280 HB2 TRP 6 HB2 TRP 6 -11.395 1.081 7.690 281 HB3 TRP 6 HB3 TRP 6 -10.237 1.016 6.407 282 HD1 TRP 6 HD1 TRP 6 -12.696 -0.883 7.728 283 HE1 TRP 6 HE1 TRP 6 -12.383 -3.390 7.592 284 HE3 TRP 6 HE3 TRP 6 -7.836 -0.893 6.697 285 HZ2 TRP 6 HZ2 TRP 6 -10.245 -5.167 7.000 286 HZ3 TRP 6 HZ3 TRP 6 -6.703 -3.001 6.334 287 HH2 TRP 6 HH2 TRP 6 -7.834 -5.050 6.448 288 H GLU 7 H GLU 7 -7.560 1.458 6.775 289 HA GLU 7 HA GLU 7 -8.070 4.124 5.926 290 HB2 GLU 7 HB2 GLU 7 -5.872 5.066 6.606 291 HB3 GLU 7 HB3 GLU 7 -6.895 4.695 7.985 292 HG2 GLU 7 HG2 GLU 7 -5.609 2.795 8.551 293 HG3 GLU 7 HG3 GLU 7 -4.752 2.826 7.012 294 H LYS 8 H LYS 8 -7.593 4.165 3.849 295 HA LYS 8 HA LYS 8 -6.242 1.942 2.663 296 HB2 LYS 8 HB2 LYS 8 -8.208 3.323 1.613 297 HB3 LYS 8 HB3 LYS 8 -6.997 4.573 1.278 298 HG2 LYS 8 HG2 LYS 8 -5.682 2.817 0.020 299 HG3 LYS 8 HG3 LYS 8 -7.106 1.788 0.150 300 HD2 LYS 8 HD2 LYS 8 -8.399 3.731 -0.884 301 HD3 LYS 8 HD3 LYS 8 -6.821 4.415 -1.280 302 HE2 LYS 8 HE2 LYS 8 -6.309 2.185 -2.392 303 HE3 LYS 8 HE3 LYS 8 -8.029 1.833 -2.236 304 HZ1 LYS 8 HZ1 LYS 8 -6.981 4.250 -3.600 305 HZ2 LYS 8 HZ2 LYS 8 -8.567 3.661 -3.620 306 HZ3 LYS 8 HZ3 LYS 8 -7.339 2.807 -4.410 307 H ARG 9 H ARG 9 -4.124 1.764 2.296 308 HA ARG 9 HA ARG 9 -2.451 4.194 2.192 309 HB2 ARG 9 HB2 ARG 9 -2.393 2.434 4.249 310 HB3 ARG 9 HB3 ARG 9 -1.204 1.700 3.184 311 HG2 ARG 9 HG2 ARG 9 0.290 3.092 4.038 312 HG3 ARG 9 HG3 ARG 9 -0.548 4.402 3.207 313 HD2 ARG 9 HD2 ARG 9 -0.199 4.758 5.673 314 HD3 ARG 9 HD3 ARG 9 -1.865 4.877 5.147 315 HE ARG 9 HE ARG 9 -2.356 3.084 6.387 316 HH11 ARG 9 HH11 ARG 9 1.139 3.199 6.050 317 HH12 ARG 9 HH12 ARG 9 1.401 2.207 7.445 318 HH21 ARG 9 HH21 ARG 9 -2.011 1.961 8.137 319 HH22 ARG 9 HH22 ARG 9 -0.437 1.461 8.662 320 H CYS 10 H CYS 10 -0.542 4.072 0.861 321 HA CYS 10 HA CYS 10 -0.389 1.748 -0.920 322 HB2 CYS 10 HB2 CYS 10 -1.812 3.433 -2.052 323 HB3 CYS 10 HB3 CYS 10 -0.480 4.578 -1.971 324 H PHE 11 H PHE 11 1.585 0.992 -0.743 325 HA PHE 11 HA PHE 11 3.817 2.906 -0.660 326 HB2 PHE 11 HB2 PHE 11 5.161 1.294 0.552 327 HB3 PHE 11 HB3 PHE 11 3.607 1.433 1.382 328 HD1 PHE 11 HD2 PHE 11 5.618 -0.637 -0.918 329 HD2 PHE 11 HD1 PHE 11 2.214 -0.476 1.655 330 HE1 PHE 11 HE2 PHE 11 5.390 -3.096 -1.063 331 HE2 PHE 11 HE1 PHE 11 1.980 -2.930 1.509 332 HZ PHE 11 HZ PHE 11 3.569 -4.242 0.148 333 H TYR 12 H TYR 12 5.342 2.749 -2.245 334 HA TYR 12 HA TYR 12 4.841 0.997 -4.487 335 HB2 TYR 12 HB2 TYR 12 6.695 3.288 -3.934 336 HB3 TYR 12 HB3 TYR 12 7.195 2.124 -5.158 337 HD1 TYR 12 HD1 TYR 12 5.887 1.860 -7.250 338 HD2 TYR 12 HD2 TYR 12 4.724 4.716 -4.301 339 HE1 TYR 12 HE1 TYR 12 4.400 2.872 -8.800 340 HE2 TYR 12 HE2 TYR 12 3.229 5.762 -5.865 341 HH TYR 12 HH TYR 12 3.237 4.931 -9.248 342 H PHE 13 H PHE 13 6.129 -0.818 -5.014 343 HA PHE 13 HA PHE 13 8.241 -1.439 -3.017 344 HB2 PHE 13 HB2 PHE 13 6.136 -2.920 -2.927 345 HB3 PHE 13 HB3 PHE 13 6.696 -3.589 -4.463 346 HD1 PHE 13 HD1 PHE 13 7.635 -3.048 -0.944 347 HD2 PHE 13 HD2 PHE 13 8.474 -5.192 -4.514 348 HE1 PHE 13 HE1 PHE 13 9.112 -4.544 0.310 349 HE2 PHE 13 HE2 PHE 13 9.929 -6.727 -3.290 350 HZ PHE 13 HZ PHE 13 10.266 -6.407 -0.851 351 H ASN 14 H ASN 14 10.126 -1.421 -3.852 352 HA ASN 14 HA ASN 14 10.392 -1.676 -6.711 353 HB2 ASN 14 HB2 ASN 14 11.513 0.204 -5.441 354 HB3 ASN 14 HB3 ASN 14 12.579 -0.958 -4.760 355 HD21 ASN 14 HD21 ASN 14 11.350 -0.730 -8.011 356 HD22 ASN 14 HD22 ASN 14 12.881 -0.564 -8.784 357 H ARG 15 H ARG 15 9.763 -3.976 -6.332 358 HA ARG 15 HA ARG 15 10.939 -5.891 -4.922 359 HB2 ARG 15 HB2 ARG 15 9.470 -7.051 -6.065 360 HB3 ARG 15 HB3 ARG 15 9.461 -5.887 -7.385 361 HG2 ARG 15 HG2 ARG 15 10.922 -7.087 -8.647 362 HG3 ARG 15 HG3 ARG 15 11.735 -7.783 -7.245 363 HD2 ARG 15 HD2 ARG 15 8.917 -8.520 -7.994 364 HD3 ARG 15 HD3 ARG 15 10.317 -9.362 -8.659 365 HE ARG 15 HE ARG 15 9.220 -9.651 -6.039 366 HH11 ARG 15 HH11 ARG 15 12.209 -9.828 -7.861 367 HH12 ARG 15 HH12 ARG 15 12.967 -10.911 -6.743 368 HH21 ARG 15 HH21 ARG 15 10.228 -11.075 -4.572 369 HH22 ARG 15 HH22 ARG 15 11.843 -11.620 -4.878 370 H ILE 16 H ILE 16 12.758 -4.243 -7.491 371 HA ILE 16 HA ILE 16 14.698 -6.185 -7.865 372 HB ILE 16 HB ILE 16 14.663 -3.229 -8.055 373 HG12 ILE 16 HG12 ILE 16 13.893 -3.639 -10.084 374 HG13 ILE 16 HG13 ILE 16 15.295 -4.587 -10.438 375 HG21 ILE 16 HG21 ILE 16 16.812 -3.898 -7.338 376 HG22 ILE 16 HG22 ILE 16 16.901 -3.532 -9.080 377 HG23 ILE 16 HG23 ILE 16 16.831 -5.211 -8.521 378 HD11 ILE 16 HD11 ILE 16 12.741 -5.448 -10.576 379 HD12 ILE 16 HD12 ILE 16 13.231 -6.027 -8.982 380 HD13 ILE 16 HD13 ILE 16 14.153 -6.495 -10.406 381 H THR 17 H THR 17 14.376 -3.397 -5.880 382 HA THR 17 HA THR 17 16.498 -4.194 -4.160 383 HB THR 17 HB THR 17 16.744 -1.954 -3.574 384 HG1 THR 17 HG1 THR 17 14.398 -1.646 -3.372 385 HG21 THR 17 HG21 THR 17 17.411 -2.648 -5.831 386 HG22 THR 17 HG22 THR 17 17.083 -0.916 -5.678 387 HG23 THR 17 HG23 THR 17 15.891 -1.994 -6.454 388 H GLY 18 H GLY 18 13.650 -5.087 -4.435 389 HA2 GLY 18 HA2 GLY 18 11.717 -5.318 -3.233 390 HA3 GLY 18 HA3 GLY 18 12.797 -6.007 -2.068 391 H LYS 19 H LYS 19 12.923 -2.718 -3.062 392 HA LYS 19 HA LYS 19 12.720 -1.664 -0.464 393 HB2 LYS 19 HB2 LYS 19 13.094 -0.662 -3.172 394 HB3 LYS 19 HB3 LYS 19 12.398 0.455 -2.003 395 HG2 LYS 19 HG2 LYS 19 14.271 -0.068 -0.512 396 HG3 LYS 19 HG3 LYS 19 15.011 -0.977 -1.856 397 HD2 LYS 19 HD2 LYS 19 15.984 0.996 -2.359 398 HD3 LYS 19 HD3 LYS 19 14.409 1.415 -3.034 399 HE2 LYS 19 HE2 LYS 19 13.802 2.659 -1.152 400 HE3 LYS 19 HE3 LYS 19 15.037 1.906 -0.143 401 HZ1 LYS 19 HZ1 LYS 19 15.707 4.124 -0.687 402 HZ2 LYS 19 HZ2 LYS 19 15.488 3.851 -2.342 403 HZ3 LYS 19 HZ3 LYS 19 16.724 3.050 -1.510 404 H ARG 20 H ARG 20 11.287 -0.078 0.255 405 HA ARG 20 HA ARG 20 8.723 0.045 -1.055 406 HB2 ARG 20 HB2 ARG 20 7.432 -0.409 0.860 407 HB3 ARG 20 HB3 ARG 20 8.638 -1.715 0.679 408 HG2 ARG 20 HG2 ARG 20 10.020 -0.223 2.339 409 HG3 ARG 20 HG3 ARG 20 8.420 0.386 2.766 410 HD2 ARG 20 HD2 ARG 20 8.339 -2.470 2.599 411 HD3 ARG 20 HD3 ARG 20 9.675 -1.985 3.640 412 HE ARG 20 HE ARG 20 8.165 -1.176 5.177 413 HH11 ARG 20 HH11 ARG 20 6.471 -1.972 2.214 414 HH12 ARG 20 HH12 ARG 20 4.903 -1.823 2.930 415 HH21 ARG 20 HH21 ARG 20 6.096 -0.983 6.109 416 HH22 ARG 20 HH22 ARG 20 4.689 -1.261 5.139 417 H GLN 21 H GLN 21 7.736 1.873 -0.964 418 HA GLN 21 HA GLN 21 8.436 3.872 0.988 419 HB2 GLN 21 HB2 GLN 21 8.514 5.212 -1.437 420 HB3 GLN 21 HB3 GLN 21 9.804 5.032 -0.294 421 HG2 GLN 21 HG2 GLN 21 10.283 2.844 -1.443 422 HG3 GLN 21 HG3 GLN 21 9.146 3.346 -2.653 423 HE21 GLN 21 HE21 GLN 21 9.647 5.376 -3.781 424 HE22 GLN 21 HE22 GLN 21 11.299 5.767 -4.012 425 H PHE 22 H PHE 22 6.749 5.419 1.196 426 HA PHE 22 HA PHE 22 4.253 4.644 -0.087 427 HB2 PHE 22 HB2 PHE 22 4.984 6.826 1.873 428 HB3 PHE 22 HB3 PHE 22 3.353 6.610 1.252 429 HD1 PHE 22 HD1 PHE 22 2.573 3.988 1.449 430 HD2 PHE 22 HD2 PHE 22 5.361 5.976 3.979 431 HE1 PHE 22 HE1 PHE 22 2.126 2.352 3.219 432 HE2 PHE 22 HE2 PHE 22 4.921 4.345 5.754 433 HZ PHE 22 HZ PHE 22 3.305 2.542 5.360 434 H GLU 23 H GLU 23 6.238 5.457 -1.859 435 HA GLU 23 HA GLU 23 5.189 7.876 -3.093 436 HB2 GLU 23 HB2 GLU 23 7.085 8.926 -2.544 437 HB3 GLU 23 HB3 GLU 23 7.770 7.435 -1.876 438 HG2 GLU 23 HG2 GLU 23 8.467 6.756 -4.138 439 HG3 GLU 23 HG3 GLU 23 7.817 8.270 -4.766 440 H ARG 24 H ARG 24 5.511 8.134 -5.174 441 HA ARG 24 HA ARG 24 6.142 5.749 -6.732 442 HB2 ARG 24 HB2 ARG 24 4.130 6.924 -7.356 443 HB3 ARG 24 HB3 ARG 24 5.014 8.439 -7.523 444 HG2 ARG 24 HG2 ARG 24 6.453 7.133 -9.169 445 HG3 ARG 24 HG3 ARG 24 5.091 6.005 -9.199 446 HD2 ARG 24 HD2 ARG 24 4.022 8.592 -9.429 447 HD3 ARG 24 HD3 ARG 24 5.395 8.528 -10.527 448 HE ARG 24 HE ARG 24 4.327 6.916 -11.792 449 HH11 ARG 24 HH11 ARG 24 2.377 7.789 -9.013 450 HH12 ARG 24 HH12 ARG 24 0.939 7.062 -9.642 451 HH21 ARG 24 HH21 ARG 24 2.424 5.963 -12.612 452 HH22 ARG 24 HH22 ARG 24 0.964 6.026 -11.682 453 HA PRO 25 HA PRO 25 10.279 7.220 -6.220 454 HB2 PRO 25 HB2 PRO 25 10.755 5.186 -8.178 455 HB3 PRO 25 HB3 PRO 25 11.467 5.427 -6.612 456 HG2 PRO 25 HG2 PRO 25 9.683 3.506 -7.028 457 HG3 PRO 25 HG3 PRO 25 9.743 4.373 -5.539 458 HD2 PRO 25 HD2 PRO 25 7.737 4.614 -7.701 459 HD3 PRO 25 HD3 PRO 25 7.604 4.824 -5.940 460 H SER 26 H SER 26 11.642 8.406 -7.124 461 HA SER 26 HA SER 26 11.127 10.268 -8.915 462 HB2 SER 26 HB2 SER 26 13.081 10.355 -7.585 463 HB3 SER 26 HB3 SER 26 13.738 8.955 -8.442 464 HG SER 26 HG SER 26 14.362 10.226 -10.018 465 H ASP 27 H ASP 27 12.406 7.245 -9.527 466 HA ASP 27 HA ASP 27 12.437 5.917 -11.335 467 HB2 ASP 27 HB2 ASP 27 10.383 6.085 -11.998 468 HB3 ASP 27 HB3 ASP 27 10.342 7.809 -11.648 Start of MODEL 11 1 H1 LYS 1 H1 LYS 1 4.912 3.417 -16.465 2 H2 LYS 1 H2 LYS 1 5.795 4.887 -16.415 3 H3 LYS 1 H3 LYS 1 4.081 4.914 -16.383 4 HA LYS 1 HA LYS 1 4.544 5.242 -14.221 5 HB2 LYS 1 HB2 LYS 1 4.464 2.240 -14.660 6 HB3 LYS 1 HB3 LYS 1 4.311 2.975 -13.077 7 HG2 LYS 1 HG2 LYS 1 2.151 2.335 -13.936 8 HG3 LYS 1 HG3 LYS 1 2.234 4.086 -13.798 9 HD2 LYS 1 HD2 LYS 1 2.152 4.391 -16.060 10 HD3 LYS 1 HD3 LYS 1 3.000 2.885 -16.404 11 HE2 LYS 1 HE2 LYS 1 0.147 3.123 -15.477 12 HE3 LYS 1 HE3 LYS 1 0.665 2.840 -17.136 13 HZ1 LYS 1 HZ1 LYS 1 0.175 0.733 -16.349 14 HZ2 LYS 1 HZ2 LYS 1 0.835 1.022 -14.819 15 HZ3 LYS 1 HZ3 LYS 1 1.854 0.811 -16.152 16 H LEU 2 H LEU 2 5.752 4.406 -12.204 17 HA LEU 2 HA LEU 2 8.314 5.081 -12.255 18 HB2 LEU 2 HB2 LEU 2 8.548 4.299 -10.103 19 HB3 LEU 2 HB3 LEU 2 6.846 4.632 -10.287 20 HG LEU 2 HG LEU 2 8.203 1.996 -10.233 21 HD11 LEU 2 HD11 LEU 2 7.626 2.569 -8.067 22 HD12 LEU 2 HD12 LEU 2 6.186 1.695 -8.656 23 HD13 LEU 2 HD13 LEU 2 6.209 3.464 -8.624 24 HD21 LEU 2 HD21 LEU 2 6.610 2.269 -12.052 25 HD22 LEU 2 HD22 LEU 2 5.352 2.492 -10.778 26 HD23 LEU 2 HD23 LEU 2 6.249 0.978 -10.896 27 HA PRO 3 HA PRO 3 11.567 2.562 -13.654 28 HB2 PRO 3 HB2 PRO 3 12.323 2.251 -10.854 29 HB3 PRO 3 HB3 PRO 3 13.261 2.855 -12.214 30 HG2 PRO 3 HG2 PRO 3 12.222 4.500 -10.404 31 HG3 PRO 3 HG3 PRO 3 12.319 4.951 -12.102 32 HD2 PRO 3 HD2 PRO 3 9.975 4.141 -10.486 33 HD3 PRO 3 HD3 PRO 3 10.076 5.234 -11.844 34 HA PRO 4 HA PRO 4 11.337 -1.792 -13.441 35 HB2 PRO 4 HB2 PRO 4 14.191 -1.503 -12.961 36 HB3 PRO 4 HB3 PRO 4 13.348 -2.523 -14.086 37 HG2 PRO 4 HG2 PRO 4 14.369 -0.466 -15.102 38 HG3 PRO 4 HG3 PRO 4 12.644 -0.670 -15.353 39 HD2 PRO 4 HD2 PRO 4 13.945 0.926 -13.285 40 HD3 PRO 4 HD3 PRO 4 12.804 1.425 -14.502 41 H GLY 5 H GLY 5 11.422 -3.501 -12.150 42 HA2 GLY 5 HA2 GLY 5 11.570 -4.675 -10.178 43 HA3 GLY 5 HA3 GLY 5 12.595 -3.384 -9.599 44 H TRP 6 H TRP 6 10.425 -1.355 -10.243 45 HA TRP 6 HA TRP 6 9.207 -1.366 -7.705 46 HB2 TRP 6 HB2 TRP 6 9.113 0.366 -10.088 47 HB3 TRP 6 HB3 TRP 6 7.856 0.535 -8.931 48 HD1 TRP 6 HD1 TRP 6 10.686 2.114 -9.919 49 HE1 TRP 6 HE1 TRP 6 11.996 3.298 -8.079 50 HE3 TRP 6 HE3 TRP 6 8.367 0.140 -5.997 51 HZ2 TRP 6 HZ2 TRP 6 11.943 3.385 -5.256 52 HZ3 TRP 6 HZ3 TRP 6 8.983 0.813 -3.770 53 HH2 TRP 6 HH2 TRP 6 10.671 2.386 -3.393 54 H GLU 7 H GLU 7 7.032 -1.422 -7.230 55 HA GLU 7 HA GLU 7 5.075 -1.940 -9.209 56 HB2 GLU 7 HB2 GLU 7 4.317 -4.127 -8.111 57 HB3 GLU 7 HB3 GLU 7 5.627 -4.186 -9.276 58 HG2 GLU 7 HG2 GLU 7 7.258 -4.401 -7.526 59 HG3 GLU 7 HG3 GLU 7 6.026 -4.140 -6.290 60 H LYS 8 H LYS 8 3.763 -0.518 -8.511 61 HA LYS 8 HA LYS 8 3.389 0.418 -5.941 62 HB2 LYS 8 HB2 LYS 8 2.327 1.320 -8.202 63 HB3 LYS 8 HB3 LYS 8 1.053 0.132 -7.919 64 HG2 LYS 8 HG2 LYS 8 1.291 1.529 -5.492 65 HG3 LYS 8 HG3 LYS 8 1.364 2.745 -6.767 66 HD2 LYS 8 HD2 LYS 8 -0.660 1.143 -7.648 67 HD3 LYS 8 HD3 LYS 8 -0.867 1.057 -5.898 68 HE2 LYS 8 HE2 LYS 8 -0.412 3.727 -7.122 69 HE3 LYS 8 HE3 LYS 8 -1.985 2.968 -7.359 70 HZ1 LYS 8 HZ1 LYS 8 -2.067 4.330 -5.416 71 HZ2 LYS 8 HZ2 LYS 8 -0.688 3.599 -4.764 72 HZ3 LYS 8 HZ3 LYS 8 -2.122 2.714 -4.916 73 H ARG 9 H ARG 9 2.386 -0.449 -4.134 74 HA ARG 9 HA ARG 9 0.460 -2.644 -4.466 75 HB2 ARG 9 HB2 ARG 9 3.114 -2.805 -3.206 76 HB3 ARG 9 HB3 ARG 9 1.807 -3.444 -2.219 77 HG2 ARG 9 HG2 ARG 9 1.213 -5.032 -3.877 78 HG3 ARG 9 HG3 ARG 9 2.264 -4.271 -5.073 79 HD2 ARG 9 HD2 ARG 9 3.200 -6.361 -4.063 80 HD3 ARG 9 HD3 ARG 9 4.223 -4.955 -3.859 81 HE ARG 9 HE ARG 9 3.876 -5.045 -1.642 82 HH11 ARG 9 HH11 ARG 9 1.612 -7.239 -3.193 83 HH12 ARG 9 HH12 ARG 9 1.382 -8.170 -1.751 84 HH21 ARG 9 HH21 ARG 9 3.646 -6.244 0.073 85 HH22 ARG 9 HH22 ARG 9 2.554 -7.585 0.170 86 H CYS 10 H CYS 10 -1.350 -2.286 -3.292 87 HA CYS 10 HA CYS 10 -1.071 -0.618 -0.882 88 HB2 CYS 10 HB2 CYS 10 -2.014 0.774 -2.649 89 HB3 CYS 10 HB3 CYS 10 -3.271 -0.414 -2.948 90 H PHE 11 H PHE 11 -1.799 -1.418 0.886 91 HA PHE 11 HA PHE 11 -4.041 -3.302 0.813 92 HB2 PHE 11 HB2 PHE 11 -3.083 -4.687 2.547 93 HB3 PHE 11 HB3 PHE 11 -1.870 -4.512 1.274 94 HD1 PHE 11 HD1 PHE 11 -2.905 -3.381 4.611 95 HD2 PHE 11 HD2 PHE 11 0.247 -3.540 1.758 96 HE1 PHE 11 HE1 PHE 11 -1.311 -2.614 6.330 97 HE2 PHE 11 HE2 PHE 11 1.842 -2.766 3.468 98 HZ PHE 11 HZ PHE 11 1.062 -2.303 5.757 99 H TYR 12 H TYR 12 -5.627 -2.819 2.259 100 HA TYR 12 HA TYR 12 -5.455 -0.353 3.742 101 HB2 TYR 12 HB2 TYR 12 -7.598 -2.339 3.121 102 HB3 TYR 12 HB3 TYR 12 -7.792 -1.408 4.598 103 HD1 TYR 12 HD1 TYR 12 -7.619 -1.192 0.921 104 HD2 TYR 12 HD2 TYR 12 -8.188 1.002 4.506 105 HE1 TYR 12 HE1 TYR 12 -8.438 0.675 -0.364 106 HE2 TYR 12 HE2 TYR 12 -9.062 2.840 3.281 107 HH TYR 12 HH TYR 12 -9.406 2.704 -0.286 108 H PHE 13 H PHE 13 -5.395 -0.210 6.029 109 HA PHE 13 HA PHE 13 -5.071 -2.794 7.469 110 HB2 PHE 13 HB2 PHE 13 -2.856 -1.525 7.030 111 HB3 PHE 13 HB3 PHE 13 -3.445 -0.370 8.226 112 HD1 PHE 13 HD1 PHE 13 -2.374 -3.805 7.659 113 HD2 PHE 13 HD2 PHE 13 -3.609 -0.986 10.584 114 HE1 PHE 13 HE1 PHE 13 -1.560 -5.281 9.420 115 HE2 PHE 13 HE2 PHE 13 -2.749 -2.408 12.357 116 HZ PHE 13 HZ PHE 13 -1.726 -4.591 11.791 117 H ASN 14 H ASN 14 -6.631 -2.911 8.879 118 HA ASN 14 HA ASN 14 -7.739 -0.489 9.974 119 HB2 ASN 14 HB2 ASN 14 -9.382 -2.169 11.061 120 HB3 ASN 14 HB3 ASN 14 -9.540 -1.804 9.376 121 HD21 ASN 14 HD21 ASN 14 -10.785 -3.938 10.165 122 HD22 ASN 14 HD22 ASN 14 -9.957 -5.372 9.676 123 H ARG 15 H ARG 15 -5.964 -0.019 11.351 124 HA ARG 15 HA ARG 15 -4.719 -1.765 13.023 125 HB2 ARG 15 HB2 ARG 15 -3.632 0.195 12.943 126 HB3 ARG 15 HB3 ARG 15 -5.095 1.172 13.072 127 HG2 ARG 15 HG2 ARG 15 -5.204 0.878 15.398 128 HG3 ARG 15 HG3 ARG 15 -4.002 -0.412 15.369 129 HD2 ARG 15 HD2 ARG 15 -3.474 2.471 14.637 130 HD3 ARG 15 HD3 ARG 15 -3.084 1.742 16.192 131 HE ARG 15 HE ARG 15 -1.332 0.575 15.195 132 HH11 ARG 15 HH11 ARG 15 -3.084 2.452 12.806 133 HH12 ARG 15 HH12 ARG 15 -1.851 2.291 11.603 134 HH21 ARG 15 HH21 ARG 15 0.281 0.370 13.601 135 HH22 ARG 15 HH22 ARG 15 0.056 1.112 12.052 136 H ILE 16 H ILE 16 -8.069 -0.976 13.281 137 HA ILE 16 HA ILE 16 -8.405 -1.187 16.027 138 HB ILE 16 HB ILE 16 -10.128 -1.720 13.674 139 HG12 ILE 16 HG12 ILE 16 -10.529 0.446 13.825 140 HG13 ILE 16 HG13 ILE 16 -11.122 0.219 15.431 141 HG21 ILE 16 HG21 ILE 16 -10.668 -3.266 15.384 142 HG22 ILE 16 HG22 ILE 16 -11.912 -1.992 15.364 143 HG23 ILE 16 HG23 ILE 16 -10.637 -1.978 16.593 144 HD11 ILE 16 HD11 ILE 16 -8.222 0.496 15.185 145 HD12 ILE 16 HD12 ILE 16 -9.332 1.178 16.369 146 HD13 ILE 16 HD13 ILE 16 -9.180 1.925 14.771 147 H THR 17 H THR 17 -8.719 -3.319 13.318 148 HA THR 17 HA THR 17 -8.461 -5.640 14.963 149 HB THR 17 HB THR 17 -9.831 -6.792 13.582 150 HG1 THR 17 HG1 THR 17 -8.517 -6.370 11.705 151 HG21 THR 17 HG21 THR 17 -10.950 -4.860 14.554 152 HG22 THR 17 HG22 THR 17 -11.709 -5.427 13.063 153 HG23 THR 17 HG23 THR 17 -10.697 -3.962 13.055 154 H GLY 18 H GLY 18 -6.539 -3.697 13.853 155 HA2 GLY 18 HA2 GLY 18 -4.711 -3.563 12.473 156 HA3 GLY 18 HA3 GLY 18 -4.188 -4.854 13.508 157 H LYS 19 H LYS 19 -6.840 -5.041 11.214 158 HA LYS 19 HA LYS 19 -5.596 -7.286 9.933 159 HB2 LYS 19 HB2 LYS 19 -8.222 -6.058 10.049 160 HB3 LYS 19 HB3 LYS 19 -7.809 -6.884 8.544 161 HG2 LYS 19 HG2 LYS 19 -7.127 -8.797 9.961 162 HG3 LYS 19 HG3 LYS 19 -7.917 -7.944 11.314 163 HD2 LYS 19 HD2 LYS 19 -10.019 -8.290 10.459 164 HD3 LYS 19 HD3 LYS 19 -9.454 -8.328 8.788 165 HE2 LYS 19 HE2 LYS 19 -8.318 -10.552 9.480 166 HE3 LYS 19 HE3 LYS 19 -9.435 -10.508 10.843 167 HZ1 LYS 19 HZ1 LYS 19 -10.481 -10.149 8.118 168 HZ2 LYS 19 HZ2 LYS 19 -11.246 -10.786 9.486 169 HZ3 LYS 19 HZ3 LYS 19 -10.097 -11.707 8.655 170 H ARG 20 H ARG 20 -5.497 -7.544 7.654 171 HA ARG 20 HA ARG 20 -5.150 -5.048 6.201 172 HB2 ARG 20 HB2 ARG 20 -3.109 -5.692 5.210 173 HB3 ARG 20 HB3 ARG 20 -2.980 -5.966 6.972 174 HG2 ARG 20 HG2 ARG 20 -3.758 -8.222 5.184 175 HG3 ARG 20 HG3 ARG 20 -2.067 -7.739 5.299 176 HD2 ARG 20 HD2 ARG 20 -2.572 -7.848 7.887 177 HD3 ARG 20 HD3 ARG 20 -3.849 -8.942 7.357 178 HE ARG 20 HE ARG 20 -1.239 -9.541 6.283 179 HH11 ARG 20 HH11 ARG 20 -3.470 -10.108 8.923 180 HH12 ARG 20 HH12 ARG 20 -2.736 -11.607 9.381 181 HH21 ARG 20 HH21 ARG 20 -0.278 -11.515 6.893 182 HH22 ARG 20 HH22 ARG 20 -0.924 -12.406 8.231 183 H GLN 21 H GLN 21 -5.673 -4.976 4.157 184 HA GLN 21 HA GLN 21 -6.265 -7.340 2.632 185 HB2 GLN 21 HB2 GLN 21 -8.525 -5.781 2.318 186 HB3 GLN 21 HB3 GLN 21 -8.445 -7.383 2.976 187 HG2 GLN 21 HG2 GLN 21 -7.936 -6.266 5.168 188 HG3 GLN 21 HG3 GLN 21 -8.340 -4.772 4.384 189 HE21 GLN 21 HE21 GLN 21 -10.509 -4.883 3.216 190 HE22 GLN 21 HE22 GLN 21 -11.779 -5.598 4.117 191 H PHE 22 H PHE 22 -6.338 -6.817 0.364 192 HA PHE 22 HA PHE 22 -5.220 -4.196 -0.240 193 HB2 PHE 22 HB2 PHE 22 -5.709 -6.696 -1.794 194 HB3 PHE 22 HB3 PHE 22 -5.637 -5.187 -2.684 195 HD1 PHE 22 HD2 PHE 22 -3.668 -6.143 0.311 196 HD2 PHE 22 HD1 PHE 22 -3.624 -5.378 -3.862 197 HE1 PHE 22 HE2 PHE 22 -1.226 -6.247 0.322 198 HE2 PHE 22 HE1 PHE 22 -1.183 -5.478 -3.860 199 HZ PHE 22 HZ PHE 22 -0.001 -5.911 -1.765 200 H GLU 23 H GLU 23 -7.781 -4.109 0.893 201 HA GLU 23 HA GLU 23 -9.438 -2.899 -1.179 202 HB2 GLU 23 HB2 GLU 23 -10.780 -4.675 -1.069 203 HB3 GLU 23 HB3 GLU 23 -9.882 -5.341 0.304 204 HG2 GLU 23 HG2 GLU 23 -11.164 -3.945 1.835 205 HG3 GLU 23 HG3 GLU 23 -12.043 -3.256 0.472 206 H ARG 24 H ARG 24 -11.001 -1.554 -0.511 207 HA ARG 24 HA ARG 24 -10.722 -0.384 2.168 208 HB2 ARG 24 HB2 ARG 24 -10.635 1.187 0.297 209 HB3 ARG 24 HB3 ARG 24 -12.161 0.568 -0.318 210 HG2 ARG 24 HG2 ARG 24 -13.326 1.387 1.550 211 HG3 ARG 24 HG3 ARG 24 -11.824 1.854 2.361 212 HD2 ARG 24 HD2 ARG 24 -11.413 3.281 0.248 213 HD3 ARG 24 HD3 ARG 24 -13.137 3.090 -0.031 214 HE ARG 24 HE ARG 24 -13.585 4.467 1.747 215 HH11 ARG 24 HH11 ARG 24 -10.140 3.924 1.576 216 HH12 ARG 24 HH12 ARG 24 -9.765 5.170 2.714 217 HH21 ARG 24 HH21 ARG 24 -13.080 6.116 3.237 218 HH22 ARG 24 HH22 ARG 24 -11.426 6.412 3.652 219 HA PRO 25 HA PRO 25 -13.659 -3.633 2.984 220 HB2 PRO 25 HB2 PRO 25 -13.693 -2.396 5.561 221 HB3 PRO 25 HB3 PRO 25 -13.316 -4.029 5.093 222 HG2 PRO 25 HG2 PRO 25 -11.417 -2.306 5.799 223 HG3 PRO 25 HG3 PRO 25 -11.127 -3.528 4.654 224 HD2 PRO 25 HD2 PRO 25 -11.436 -0.652 4.182 225 HD3 PRO 25 HD3 PRO 25 -10.529 -1.894 3.309 226 H SER 26 H SER 26 -15.644 -3.950 3.157 227 HA SER 26 HA SER 26 -17.545 -2.329 2.231 228 HB2 SER 26 HB2 SER 26 -17.866 -4.670 2.421 229 HB3 SER 26 HB3 SER 26 -17.830 -4.529 4.185 230 HG SER 26 HG SER 26 -19.856 -3.910 4.167 231 H ASP 27 H ASP 27 -16.599 -2.781 5.399 232 HA ASP 27 HA ASP 27 -16.773 -1.486 7.246 233 HB2 ASP 27 HB2 ASP 27 -16.507 0.545 6.562 234 HB3 ASP 27 HB3 ASP 27 -17.260 0.158 5.019 235 H1 LYS 1 H1 LYS 1 -18.007 3.693 2.503 236 H2 LYS 1 H2 LYS 1 -17.372 2.715 1.244 237 H3 LYS 1 H3 LYS 1 -17.475 4.416 1.042 238 HA LYS 1 HA LYS 1 -15.241 3.503 1.531 239 HB2 LYS 1 HB2 LYS 1 -14.719 5.330 3.077 240 HB3 LYS 1 HB3 LYS 1 -15.800 5.864 1.796 241 HG2 LYS 1 HG2 LYS 1 -16.906 4.986 4.431 242 HG3 LYS 1 HG3 LYS 1 -16.227 6.603 4.245 243 HD2 LYS 1 HD2 LYS 1 -17.885 6.266 2.028 244 HD3 LYS 1 HD3 LYS 1 -18.781 5.562 3.372 245 HE2 LYS 1 HE2 LYS 1 -19.349 7.877 3.172 246 HE3 LYS 1 HE3 LYS 1 -18.426 7.634 4.651 247 HZ1 LYS 1 HZ1 LYS 1 -17.909 9.505 2.759 248 HZ2 LYS 1 HZ2 LYS 1 -16.786 8.298 2.385 249 HZ3 LYS 1 HZ3 LYS 1 -16.813 8.977 3.934 250 H LEU 2 H LEU 2 -13.763 3.002 3.325 251 HA LEU 2 HA LEU 2 -14.949 1.048 4.990 252 HB2 LEU 2 HB2 LEU 2 -12.988 0.032 5.197 253 HB3 LEU 2 HB3 LEU 2 -12.742 0.888 3.696 254 HG LEU 2 HG LEU 2 -11.546 1.361 6.353 255 HD11 LEU 2 HD11 LEU 2 -10.149 0.113 4.981 256 HD12 LEU 2 HD12 LEU 2 -9.596 1.784 4.694 257 HD13 LEU 2 HD13 LEU 2 -10.684 0.988 3.547 258 HD21 LEU 2 HD21 LEU 2 -12.655 3.373 5.311 259 HD22 LEU 2 HD22 LEU 2 -11.231 3.312 4.205 260 HD23 LEU 2 HD23 LEU 2 -11.020 3.493 5.948 261 HA PRO 3 HA PRO 3 -15.329 2.477 9.083 262 HB2 PRO 3 HB2 PRO 3 -13.835 0.173 9.933 263 HB3 PRO 3 HB3 PRO 3 -15.542 0.547 10.149 264 HG2 PRO 3 HG2 PRO 3 -14.721 -1.352 8.472 265 HG3 PRO 3 HG3 PRO 3 -16.123 -0.348 8.134 266 HD2 PRO 3 HD2 PRO 3 -13.360 -0.124 7.024 267 HD3 PRO 3 HD3 PRO 3 -14.902 -0.017 6.234 268 HA PRO 4 HA PRO 4 -12.013 4.238 11.364 269 HB2 PRO 4 HB2 PRO 4 -13.108 2.601 13.501 270 HB3 PRO 4 HB3 PRO 4 -12.717 4.292 13.484 271 HG2 PRO 4 HG2 PRO 4 -15.168 3.779 13.286 272 HG3 PRO 4 HG3 PRO 4 -14.480 4.765 12.007 273 HD2 PRO 4 HD2 PRO 4 -14.891 1.875 11.964 274 HD3 PRO 4 HD3 PRO 4 -15.519 3.085 10.885 275 H GLY 5 H GLY 5 -10.115 3.839 12.352 276 HA2 GLY 5 HA2 GLY 5 -8.254 2.607 12.959 277 HA3 GLY 5 HA3 GLY 5 -9.265 1.186 12.818 278 H TRP 6 H TRP 6 -10.111 1.761 10.087 279 HA TRP 6 HA TRP 6 -8.039 0.471 8.670 280 HB2 TRP 6 HB2 TRP 6 -10.722 1.500 8.087 281 HB3 TRP 6 HB3 TRP 6 -9.683 1.312 6.741 282 HD1 TRP 6 HD1 TRP 6 -12.325 -0.184 8.198 283 HE1 TRP 6 HE1 TRP 6 -12.448 -2.726 7.961 284 HE3 TRP 6 HE3 TRP 6 -7.677 -0.946 6.705 285 HZ2 TRP 6 HZ2 TRP 6 -10.664 -4.802 7.185 286 HZ3 TRP 6 HZ3 TRP 6 -6.912 -3.180 6.216 287 HH2 TRP 6 HH2 TRP 6 -8.324 -5.041 6.400 288 H GLU 7 H GLU 7 -6.612 1.314 7.240 289 HA GLU 7 HA GLU 7 -6.945 4.014 6.291 290 HB2 GLU 7 HB2 GLU 7 -4.384 3.257 7.698 291 HB3 GLU 7 HB3 GLU 7 -4.752 4.783 6.911 292 HG2 GLU 7 HG2 GLU 7 -6.514 3.901 9.134 293 HG3 GLU 7 HG3 GLU 7 -4.901 4.483 9.530 294 H LYS 8 H LYS 8 -6.902 3.619 4.244 295 HA LYS 8 HA LYS 8 -5.809 1.482 2.899 296 HB2 LYS 8 HB2 LYS 8 -7.287 3.409 1.895 297 HB3 LYS 8 HB3 LYS 8 -5.797 4.347 1.768 298 HG2 LYS 8 HG2 LYS 8 -4.822 2.673 0.269 299 HG3 LYS 8 HG3 LYS 8 -6.293 1.706 0.392 300 HD2 LYS 8 HD2 LYS 8 -7.423 3.974 -0.371 301 HD3 LYS 8 HD3 LYS 8 -5.815 4.274 -1.031 302 HE2 LYS 8 HE2 LYS 8 -6.103 1.841 -1.979 303 HE3 LYS 8 HE3 LYS 8 -7.818 2.192 -1.768 304 HZ1 LYS 8 HZ1 LYS 8 -6.944 2.746 -3.999 305 HZ2 LYS 8 HZ2 LYS 8 -5.947 3.917 -3.296 306 HZ3 LYS 8 HZ3 LYS 8 -7.628 4.073 -3.202 307 H ARG 9 H ARG 9 -3.700 0.898 2.372 308 HA ARG 9 HA ARG 9 -1.581 2.916 2.753 309 HB2 ARG 9 HB2 ARG 9 -1.989 0.431 4.155 310 HB3 ARG 9 HB3 ARG 9 -0.455 0.392 3.298 311 HG2 ARG 9 HG2 ARG 9 -1.154 2.772 4.954 312 HG3 ARG 9 HG3 ARG 9 -0.587 1.295 5.735 313 HD2 ARG 9 HD2 ARG 9 0.869 2.877 3.623 314 HD3 ARG 9 HD3 ARG 9 1.294 2.760 5.318 315 HE ARG 9 HE ARG 9 1.769 0.864 3.250 316 HH11 ARG 9 HH11 ARG 9 1.541 1.322 6.726 317 HH12 ARG 9 HH12 ARG 9 2.787 0.167 7.055 318 HH21 ARG 9 HH21 ARG 9 3.348 -0.467 3.671 319 HH22 ARG 9 HH22 ARG 9 3.838 -0.901 5.275 320 H CYS 10 H CYS 10 -1.170 3.364 0.621 321 HA CYS 10 HA CYS 10 -0.504 1.093 -1.128 322 HB2 CYS 10 HB2 CYS 10 -0.738 3.835 -2.251 323 HB3 CYS 10 HB3 CYS 10 -1.161 2.286 -2.960 324 H PHE 11 H PHE 11 1.559 0.617 -0.629 325 HA PHE 11 HA PHE 11 3.540 2.767 -0.896 326 HB2 PHE 11 HB2 PHE 11 5.095 1.404 0.364 327 HB3 PHE 11 HB3 PHE 11 3.568 1.463 1.252 328 HD1 PHE 11 HD2 PHE 11 5.709 -0.627 -0.933 329 HD2 PHE 11 HD1 PHE 11 2.339 -0.532 1.698 330 HE1 PHE 11 HE2 PHE 11 5.673 -3.093 -0.889 331 HE2 PHE 11 HE1 PHE 11 2.300 -3.000 1.735 332 HZ PHE 11 HZ PHE 11 3.967 -4.281 0.443 333 H TYR 12 H TYR 12 5.177 2.593 -2.398 334 HA TYR 12 HA TYR 12 4.820 0.614 -4.493 335 HB2 TYR 12 HB2 TYR 12 6.302 3.180 -4.214 336 HB3 TYR 12 HB3 TYR 12 7.019 1.979 -5.291 337 HD1 TYR 12 HD1 TYR 12 5.762 1.175 -7.260 338 HD2 TYR 12 HD2 TYR 12 4.199 4.272 -4.799 339 HE1 TYR 12 HE1 TYR 12 4.262 1.764 -9.012 340 HE2 TYR 12 HE2 TYR 12 2.628 4.890 -6.539 341 HH TYR 12 HH TYR 12 2.763 3.384 -9.750 342 H PHE 13 H PHE 13 6.243 -1.107 -4.848 343 HA PHE 13 HA PHE 13 8.475 -1.302 -2.896 344 HB2 PHE 13 HB2 PHE 13 6.576 -3.044 -2.726 345 HB3 PHE 13 HB3 PHE 13 7.233 -3.706 -4.230 346 HD1 PHE 13 HD2 PHE 13 8.142 -2.772 -0.783 347 HD2 PHE 13 HD1 PHE 13 9.139 -5.158 -4.168 348 HE1 PHE 13 HE2 PHE 13 9.797 -3.967 0.560 349 HE2 PHE 13 HE1 PHE 13 10.787 -6.389 -2.856 350 HZ PHE 13 HZ PHE 13 11.133 -5.799 -0.462 351 H ASN 14 H ASN 14 10.368 -1.182 -3.699 352 HA ASN 14 HA ASN 14 10.661 -1.476 -6.555 353 HB2 ASN 14 HB2 ASN 14 11.590 0.518 -5.192 354 HB3 ASN 14 HB3 ASN 14 12.820 -0.559 -4.674 355 HD21 ASN 14 HD21 ASN 14 11.488 -0.687 -7.868 356 HD22 ASN 14 HD22 ASN 14 12.892 -0.130 -8.690 357 H ARG 15 H ARG 15 10.382 -3.847 -6.255 358 HA ARG 15 HA ARG 15 11.829 -5.466 -4.659 359 HB2 ARG 15 HB2 ARG 15 10.501 -6.881 -5.673 360 HB3 ARG 15 HB3 ARG 15 10.367 -5.876 -7.113 361 HG2 ARG 15 HG2 ARG 15 12.144 -6.923 -8.173 362 HG3 ARG 15 HG3 ARG 15 12.798 -7.559 -6.663 363 HD2 ARG 15 HD2 ARG 15 10.113 -8.418 -7.698 364 HD3 ARG 15 HD3 ARG 15 11.600 -9.199 -8.237 365 HE ARG 15 HE ARG 15 10.294 -9.524 -5.711 366 HH11 ARG 15 HH11 ARG 15 13.411 -9.640 -7.308 367 HH12 ARG 15 HH12 ARG 15 14.102 -10.720 -6.145 368 HH21 ARG 15 HH21 ARG 15 11.212 -10.948 -4.185 369 HH22 ARG 15 HH22 ARG 15 12.855 -11.463 -4.374 370 H ILE 16 H ILE 16 13.317 -3.557 -7.181 371 HA ILE 16 HA ILE 16 15.579 -5.115 -7.619 372 HB ILE 16 HB ILE 16 14.964 -2.222 -7.760 373 HG12 ILE 16 HG12 ILE 16 14.275 -2.796 -9.780 374 HG13 ILE 16 HG13 ILE 16 15.886 -3.296 -10.158 375 HG21 ILE 16 HG21 ILE 16 17.502 -3.706 -8.198 376 HG22 ILE 16 HG22 ILE 16 17.188 -2.440 -7.001 377 HG23 ILE 16 HG23 ILE 16 17.239 -2.041 -8.737 378 HD11 ILE 16 HD11 ILE 16 15.386 -5.498 -10.023 379 HD12 ILE 16 HD12 ILE 16 13.809 -4.860 -10.512 380 HD13 ILE 16 HD13 ILE 16 14.128 -5.242 -8.815 381 H THR 17 H THR 17 14.745 -2.452 -5.600 382 HA THR 17 HA THR 17 16.982 -2.780 -3.871 383 HB THR 17 HB THR 17 16.601 -0.595 -3.158 384 HG1 THR 17 HG1 THR 17 14.300 -0.799 -2.927 385 HG21 THR 17 HG21 THR 17 16.701 0.601 -5.196 386 HG22 THR 17 HG22 THR 17 15.837 -0.698 -6.058 387 HG23 THR 17 HG23 THR 17 17.465 -0.976 -5.425 388 H GLY 18 H GLY 18 14.261 -4.205 -4.209 389 HA2 GLY 18 HA2 GLY 18 12.455 -4.830 -2.939 390 HA3 GLY 18 HA3 GLY 18 13.715 -5.532 -1.978 391 H LYS 19 H LYS 19 13.180 -2.125 -2.491 392 HA LYS 19 HA LYS 19 12.571 -1.808 0.338 393 HB2 LYS 19 HB2 LYS 19 13.849 0.018 0.422 394 HB3 LYS 19 HB3 LYS 19 14.648 -0.765 -0.963 395 HG2 LYS 19 HG2 LYS 19 13.846 0.733 -2.423 396 HG3 LYS 19 HG3 LYS 19 12.346 0.971 -1.516 397 HD2 LYS 19 HD2 LYS 19 14.987 1.975 -0.497 398 HD3 LYS 19 HD3 LYS 19 14.003 2.932 -1.605 399 HE2 LYS 19 HE2 LYS 19 12.381 1.921 0.542 400 HE3 LYS 19 HE3 LYS 19 13.783 2.769 1.192 401 HZ1 LYS 19 HZ1 LYS 19 13.186 4.730 0.069 402 HZ2 LYS 19 HZ2 LYS 19 11.747 4.154 0.745 403 HZ3 LYS 19 HZ3 LYS 19 12.049 3.941 -0.905 404 H ARG 20 H ARG 20 11.177 0.022 0.905 405 HA ARG 20 HA ARG 20 9.032 0.226 -1.075 406 HB2 ARG 20 HB2 ARG 20 7.383 -0.047 0.596 407 HB3 ARG 20 HB3 ARG 20 8.655 -1.254 0.926 408 HG2 ARG 20 HG2 ARG 20 9.580 0.606 2.515 409 HG3 ARG 20 HG3 ARG 20 7.919 1.199 2.450 410 HD2 ARG 20 HD2 ARG 20 7.090 -0.586 3.587 411 HD3 ARG 20 HD3 ARG 20 8.291 -1.698 2.933 412 HE ARG 20 HE ARG 20 9.551 0.122 4.673 413 HH11 ARG 20 HH11 ARG 20 7.355 -2.604 4.758 414 HH12 ARG 20 HH12 ARG 20 7.834 -3.097 6.347 415 HH21 ARG 20 HH21 ARG 20 10.178 -0.532 6.766 416 HH22 ARG 20 HH22 ARG 20 9.436 -1.921 7.488 417 H GLN 21 H GLN 21 7.770 1.939 -1.278 418 HA GLN 21 HA GLN 21 8.529 4.456 0.053 419 HB2 GLN 21 HB2 GLN 21 7.619 4.186 -2.762 420 HB3 GLN 21 HB3 GLN 21 8.359 5.599 -2.014 421 HG2 GLN 21 HG2 GLN 21 10.170 3.432 -1.934 422 HG3 GLN 21 HG3 GLN 21 9.456 3.540 -3.498 423 HE21 GLN 21 HE21 GLN 21 9.369 5.788 -4.416 424 HE22 GLN 21 HE22 GLN 21 10.798 6.712 -4.213 425 H PHE 22 H PHE 22 6.667 6.083 -0.274 426 HA PHE 22 HA PHE 22 4.059 4.682 -0.368 427 HB2 PHE 22 HB2 PHE 22 4.885 7.229 1.058 428 HB3 PHE 22 HB3 PHE 22 3.218 6.672 0.946 429 HD1 PHE 22 HD1 PHE 22 2.831 4.196 1.785 430 HD2 PHE 22 HD2 PHE 22 6.129 6.636 2.912 431 HE1 PHE 22 HE1 PHE 22 3.167 2.810 3.778 432 HE2 PHE 22 HE2 PHE 22 6.471 5.259 4.914 433 HZ PHE 22 HZ PHE 22 4.985 3.352 5.332 434 H GLU 23 H GLU 23 5.746 5.608 -2.488 435 HA GLU 23 HA GLU 23 4.075 7.454 -4.006 436 HB2 GLU 23 HB2 GLU 23 5.605 9.065 -3.718 437 HB3 GLU 23 HB3 GLU 23 6.620 7.960 -2.783 438 HG2 GLU 23 HG2 GLU 23 7.577 7.092 -4.904 439 HG3 GLU 23 HG3 GLU 23 6.626 8.296 -5.771 440 H ARG 24 H ARG 24 4.563 7.560 -6.185 441 HA ARG 24 HA ARG 24 5.778 5.147 -7.290 442 HB2 ARG 24 HB2 ARG 24 3.607 5.731 -8.190 443 HB3 ARG 24 HB3 ARG 24 4.169 7.350 -8.596 444 HG2 ARG 24 HG2 ARG 24 5.951 6.124 -9.946 445 HG3 ARG 24 HG3 ARG 24 4.855 4.734 -9.845 446 HD2 ARG 24 HD2 ARG 24 3.649 7.322 -10.601 447 HD3 ARG 24 HD3 ARG 24 4.755 6.632 -11.785 448 HE ARG 24 HE ARG 24 3.279 4.900 -12.159 449 HH11 ARG 24 HH11 ARG 24 2.098 6.962 -9.581 450 HH12 ARG 24 HH12 ARG 24 0.498 6.306 -9.623 451 HH21 ARG 24 HH21 ARG 24 1.163 4.036 -12.199 452 HH22 ARG 24 HH22 ARG 24 -0.033 4.648 -11.108 453 HA PRO 25 HA PRO 25 9.517 7.468 -6.731 454 HB2 PRO 25 HB2 PRO 25 10.480 5.467 -8.524 455 HB3 PRO 25 HB3 PRO 25 11.047 5.934 -6.952 456 HG2 PRO 25 HG2 PRO 25 9.605 3.688 -7.367 457 HG3 PRO 25 HG3 PRO 25 9.600 4.544 -5.886 458 HD2 PRO 25 HD2 PRO 25 7.455 4.307 -7.797 459 HD3 PRO 25 HD3 PRO 25 7.457 4.826 -6.109 460 H SER 26 H SER 26 10.635 8.856 -7.641 461 HA SER 26 HA SER 26 9.859 10.344 -9.742 462 HB2 SER 26 HB2 SER 26 11.327 11.166 -8.066 463 HB3 SER 26 HB3 SER 26 12.565 10.020 -8.604 464 HG SER 26 HG SER 26 13.078 11.333 -10.185 465 H ASP 27 H ASP 27 12.036 7.823 -9.619 466 HA ASP 27 HA ASP 27 12.802 6.399 -11.212 467 HB2 ASP 27 HB2 ASP 27 11.218 6.119 -12.653 468 HB3 ASP 27 HB3 ASP 27 10.602 7.734 -12.322 Start of MODEL 12 1 H1 LYS 1 H1 LYS 1 6.356 7.930 -14.516 2 H2 LYS 1 H2 LYS 1 5.373 7.347 -15.795 3 H3 LYS 1 H3 LYS 1 7.048 6.975 -15.758 4 HA LYS 1 HA LYS 1 5.222 6.179 -13.605 5 HB2 LYS 1 HB2 LYS 1 5.077 3.988 -14.735 6 HB3 LYS 1 HB3 LYS 1 4.300 5.272 -15.654 7 HG2 LYS 1 HG2 LYS 1 7.081 4.922 -16.391 8 HG3 LYS 1 HG3 LYS 1 6.142 3.444 -16.595 9 HD2 LYS 1 HD2 LYS 1 4.915 4.306 -18.289 10 HD3 LYS 1 HD3 LYS 1 4.853 5.912 -17.565 11 HE2 LYS 1 HE2 LYS 1 7.356 4.809 -18.790 12 HE3 LYS 1 HE3 LYS 1 6.131 5.631 -19.749 13 HZ1 LYS 1 HZ1 LYS 1 6.408 7.463 -17.946 14 HZ2 LYS 1 HZ2 LYS 1 7.526 7.349 -19.209 15 HZ3 LYS 1 HZ3 LYS 1 7.910 6.727 -17.685 16 H LEU 2 H LEU 2 6.098 4.281 -12.478 17 HA LEU 2 HA LEU 2 8.891 4.570 -12.130 18 HB2 LEU 2 HB2 LEU 2 8.655 3.952 -10.052 19 HB3 LEU 2 HB3 LEU 2 6.977 4.294 -10.360 20 HG LEU 2 HG LEU 2 8.354 1.723 -9.988 21 HD11 LEU 2 HD11 LEU 2 6.069 1.445 -8.776 22 HD12 LEU 2 HD12 LEU 2 6.052 3.209 -8.900 23 HD13 LEU 2 HD13 LEU 2 7.361 2.407 -8.032 24 HD21 LEU 2 HD21 LEU 2 7.307 1.072 -11.824 25 HD22 LEU 2 HD22 LEU 2 6.002 2.232 -11.617 26 HD23 LEU 2 HD23 LEU 2 6.038 0.800 -10.584 27 HA PRO 3 HA PRO 3 10.944 1.202 -13.945 28 HB2 PRO 3 HB2 PRO 3 12.401 0.818 -11.527 29 HB3 PRO 3 HB3 PRO 3 12.922 1.551 -13.043 30 HG2 PRO 3 HG2 PRO 3 12.544 2.970 -10.793 31 HG3 PRO 3 HG3 PRO 3 12.275 3.626 -12.401 32 HD2 PRO 3 HD2 PRO 3 10.261 2.606 -10.453 33 HD3 PRO 3 HD3 PRO 3 10.260 4.042 -11.420 34 HA PRO 4 HA PRO 4 10.332 -3.027 -12.908 35 HB2 PRO 4 HB2 PRO 4 13.233 -3.078 -13.000 36 HB3 PRO 4 HB3 PRO 4 12.078 -4.091 -13.808 37 HG2 PRO 4 HG2 PRO 4 13.162 -2.347 -15.260 38 HG3 PRO 4 HG3 PRO 4 11.407 -2.341 -15.214 39 HD2 PRO 4 HD2 PRO 4 13.208 -0.691 -13.619 40 HD3 PRO 4 HD3 PRO 4 11.963 -0.195 -14.726 41 H GLY 5 H GLY 5 10.658 -4.546 -11.360 42 HA2 GLY 5 HA2 GLY 5 11.200 -5.330 -9.247 43 HA3 GLY 5 HA3 GLY 5 12.236 -3.928 -9.094 44 H TRP 6 H TRP 6 10.243 -1.952 -9.701 45 HA TRP 6 HA TRP 6 9.091 -1.582 -7.150 46 HB2 TRP 6 HB2 TRP 6 9.113 -0.128 -9.715 47 HB3 TRP 6 HB3 TRP 6 7.865 0.261 -8.617 48 HD1 TRP 6 HD1 TRP 6 10.898 1.403 -9.736 49 HE1 TRP 6 HE1 TRP 6 12.177 2.853 -8.070 50 HE3 TRP 6 HE3 TRP 6 8.281 0.283 -5.710 51 HZ2 TRP 6 HZ2 TRP 6 12.018 3.393 -5.288 52 HZ3 TRP 6 HZ3 TRP 6 8.845 1.254 -3.591 53 HH2 TRP 6 HH2 TRP 6 10.603 2.772 -3.359 54 H GLU 7 H GLU 7 6.927 -1.555 -6.639 55 HA GLU 7 HA GLU 7 4.923 -2.149 -8.557 56 HB2 GLU 7 HB2 GLU 7 4.094 -4.220 -7.513 57 HB3 GLU 7 HB3 GLU 7 5.635 -4.421 -8.328 58 HG2 GLU 7 HG2 GLU 7 6.738 -4.919 -6.415 59 HG3 GLU 7 HG3 GLU 7 5.756 -3.833 -5.435 60 H LYS 8 H LYS 8 3.632 -0.661 -7.987 61 HA LYS 8 HA LYS 8 3.334 0.585 -5.555 62 HB2 LYS 8 HB2 LYS 8 2.169 1.164 -7.857 63 HB3 LYS 8 HB3 LYS 8 0.933 -0.002 -7.380 64 HG2 LYS 8 HG2 LYS 8 0.413 1.303 -5.381 65 HG3 LYS 8 HG3 LYS 8 1.658 2.475 -5.818 66 HD2 LYS 8 HD2 LYS 8 0.345 2.627 -8.064 67 HD3 LYS 8 HD3 LYS 8 -0.975 1.926 -7.127 68 HE2 LYS 8 HE2 LYS 8 -0.875 3.754 -5.549 69 HE3 LYS 8 HE3 LYS 8 0.531 4.428 -6.373 70 HZ1 LYS 8 HZ1 LYS 8 -1.565 5.551 -6.950 71 HZ2 LYS 8 HZ2 LYS 8 -2.151 4.109 -7.611 72 HZ3 LYS 8 HZ3 LYS 8 -0.806 4.869 -8.300 73 H ARG 9 H ARG 9 2.461 -0.070 -3.595 74 HA ARG 9 HA ARG 9 0.677 -2.418 -3.604 75 HB2 ARG 9 HB2 ARG 9 3.239 -2.486 -2.664 76 HB3 ARG 9 HB3 ARG 9 2.345 -2.097 -1.201 77 HG2 ARG 9 HG2 ARG 9 0.818 -4.091 -2.110 78 HG3 ARG 9 HG3 ARG 9 2.363 -4.568 -2.817 79 HD2 ARG 9 HD2 ARG 9 1.838 -4.018 0.099 80 HD3 ARG 9 HD3 ARG 9 2.102 -5.589 -0.628 81 HE ARG 9 HE ARG 9 4.053 -3.497 -0.239 82 HH11 ARG 9 HH11 ARG 9 3.335 -6.801 -1.211 83 HH12 ARG 9 HH12 ARG 9 4.951 -7.337 -0.903 84 HH21 ARG 9 HH21 ARG 9 5.983 -4.193 0.187 85 HH22 ARG 9 HH22 ARG 9 6.513 -5.816 -0.100 86 H CYS 10 H CYS 10 -1.268 -1.558 -3.168 87 HA CYS 10 HA CYS 10 -1.468 0.294 -0.880 88 HB2 CYS 10 HB2 CYS 10 -3.790 0.045 -2.703 89 HB3 CYS 10 HB3 CYS 10 -3.128 1.460 -1.904 90 H PHE 11 H PHE 11 -1.757 -0.992 0.838 91 HA PHE 11 HA PHE 11 -3.985 -2.908 0.727 92 HB2 PHE 11 HB2 PHE 11 -2.925 -4.176 2.516 93 HB3 PHE 11 HB3 PHE 11 -1.735 -3.898 1.241 94 HD1 PHE 11 HD1 PHE 11 -2.850 -2.916 4.588 95 HD2 PHE 11 HD2 PHE 11 0.239 -2.620 1.678 96 HE1 PHE 11 HE1 PHE 11 -1.342 -1.961 6.290 97 HE2 PHE 11 HE2 PHE 11 1.746 -1.660 3.368 98 HZ PHE 11 HZ PHE 11 0.958 -1.331 5.677 99 H TYR 12 H TYR 12 -5.594 -2.776 2.256 100 HA TYR 12 HA TYR 12 -5.800 -0.302 3.760 101 HB2 TYR 12 HB2 TYR 12 -7.668 -2.543 3.064 102 HB3 TYR 12 HB3 TYR 12 -8.013 -1.622 4.524 103 HD1 TYR 12 HD2 TYR 12 -7.777 -1.456 0.854 104 HD2 TYR 12 HD1 TYR 12 -8.685 0.744 4.378 105 HE1 TYR 12 HE2 TYR 12 -8.748 0.260 -0.500 106 HE2 TYR 12 HE1 TYR 12 -9.640 2.454 3.048 107 HH TYR 12 HH TYR 12 -9.360 3.319 0.570 108 H PHE 13 H PHE 13 -5.724 -0.227 6.055 109 HA PHE 13 HA PHE 13 -5.121 -2.819 7.398 110 HB2 PHE 13 HB2 PHE 13 -3.084 -1.251 7.051 111 HB3 PHE 13 HB3 PHE 13 -3.831 -0.246 8.294 112 HD1 PHE 13 HD1 PHE 13 -4.011 -1.052 10.614 113 HD2 PHE 13 HD2 PHE 13 -2.223 -3.421 7.574 114 HE1 PHE 13 HE1 PHE 13 -2.983 -2.430 12.329 115 HE2 PHE 13 HE2 PHE 13 -1.226 -4.854 9.278 116 HZ PHE 13 HZ PHE 13 -1.587 -4.369 11.675 117 H ASN 14 H ASN 14 -6.680 -3.202 8.771 118 HA ASN 14 HA ASN 14 -8.091 -0.979 9.935 119 HB2 ASN 14 HB2 ASN 14 -9.562 -2.902 10.887 120 HB3 ASN 14 HB3 ASN 14 -9.736 -2.434 9.230 121 HD21 ASN 14 HD21 ASN 14 -10.765 -4.721 9.774 122 HD22 ASN 14 HD22 ASN 14 -9.776 -6.028 9.233 123 H ARG 15 H ARG 15 -6.348 -0.439 11.362 124 HA ARG 15 HA ARG 15 -4.953 -2.068 12.991 125 HB2 ARG 15 HB2 ARG 15 -4.168 0.035 13.015 126 HB3 ARG 15 HB3 ARG 15 -5.758 0.775 13.183 127 HG2 ARG 15 HG2 ARG 15 -5.287 1.129 15.302 128 HG3 ARG 15 HG3 ARG 15 -5.350 -0.610 15.562 129 HD2 ARG 15 HD2 ARG 15 -3.251 0.066 16.401 130 HD3 ARG 15 HD3 ARG 15 -2.915 -0.663 14.831 131 HE ARG 15 HE ARG 15 -2.264 1.393 14.034 132 HH11 ARG 15 HH11 ARG 15 -3.788 1.808 17.163 133 HH12 ARG 15 HH12 ARG 15 -3.300 3.462 17.316 134 HH21 ARG 15 HH21 ARG 15 -1.627 3.573 14.245 135 HH22 ARG 15 HH22 ARG 15 -2.076 4.464 15.661 136 H ILE 16 H ILE 16 -8.413 -1.667 13.321 137 HA ILE 16 HA ILE 16 -8.649 -2.165 16.044 138 HB ILE 16 HB ILE 16 -10.382 -2.644 13.690 139 HG12 ILE 16 HG12 ILE 16 -10.970 -0.549 14.061 140 HG13 ILE 16 HG13 ILE 16 -11.496 -0.983 15.649 141 HG21 ILE 16 HG21 ILE 16 -10.781 -3.221 16.580 142 HG22 ILE 16 HG22 ILE 16 -10.720 -4.393 15.254 143 HG23 ILE 16 HG23 ILE 16 -12.080 -3.249 15.380 144 HD11 ILE 16 HD11 ILE 16 -8.640 -0.442 15.409 145 HD12 ILE 16 HD12 ILE 16 -9.795 0.070 16.634 146 HD13 ILE 16 HD13 ILE 16 -9.703 0.929 15.093 147 H THR 17 H THR 17 -8.841 -4.080 13.177 148 HA THR 17 HA THR 17 -8.343 -6.493 14.617 149 HB THR 17 HB THR 17 -9.524 -7.651 13.066 150 HG1 THR 17 HG1 THR 17 -8.217 -6.881 11.298 151 HG21 THR 17 HG21 THR 17 -10.853 -5.917 14.195 152 HG22 THR 17 HG22 THR 17 -11.538 -6.490 12.670 153 HG23 THR 17 HG23 THR 17 -10.716 -4.912 12.749 154 H GLY 18 H GLY 18 -6.636 -4.230 13.701 155 HA2 GLY 18 HA2 GLY 18 -4.812 -3.780 12.394 156 HA3 GLY 18 HA3 GLY 18 -4.151 -5.046 13.381 157 H LYS 19 H LYS 19 -6.696 -5.451 10.995 158 HA LYS 19 HA LYS 19 -5.122 -7.441 9.667 159 HB2 LYS 19 HB2 LYS 19 -7.901 -6.587 9.692 160 HB3 LYS 19 HB3 LYS 19 -7.298 -7.331 8.209 161 HG2 LYS 19 HG2 LYS 19 -6.354 -9.082 9.777 162 HG3 LYS 19 HG3 LYS 19 -7.532 -8.428 10.944 163 HD2 LYS 19 HD2 LYS 19 -8.017 -9.817 8.309 164 HD3 LYS 19 HD3 LYS 19 -8.658 -10.223 9.902 165 HE2 LYS 19 HE2 LYS 19 -10.084 -8.291 9.881 166 HE3 LYS 19 HE3 LYS 19 -9.341 -7.706 8.394 167 HZ1 LYS 19 HZ1 LYS 19 -10.487 -10.368 8.249 168 HZ2 LYS 19 HZ2 LYS 19 -10.558 -9.094 7.139 169 HZ3 LYS 19 HZ3 LYS 19 -11.601 -9.113 8.469 170 H ARG 20 H ARG 20 -4.875 -7.587 7.431 171 HA ARG 20 HA ARG 20 -4.868 -5.017 6.066 172 HB2 ARG 20 HB2 ARG 20 -2.740 -5.341 5.106 173 HB3 ARG 20 HB3 ARG 20 -2.602 -5.656 6.860 174 HG2 ARG 20 HG2 ARG 20 -2.688 -8.071 6.412 175 HG3 ARG 20 HG3 ARG 20 -2.746 -7.729 4.682 176 HD2 ARG 20 HD2 ARG 20 -0.503 -8.125 4.991 177 HD3 ARG 20 HD3 ARG 20 -0.572 -6.373 5.162 178 HE ARG 20 HE ARG 20 -0.286 -8.312 7.356 179 HH11 ARG 20 HH11 ARG 20 -0.088 -5.006 6.193 180 HH12 ARG 20 HH12 ARG 20 0.706 -4.431 7.618 181 HH21 ARG 20 HH21 ARG 20 0.753 -7.537 9.223 182 HH22 ARG 20 HH22 ARG 20 1.183 -5.863 9.336 183 H GLN 21 H GLN 21 -5.404 -4.972 4.043 184 HA GLN 21 HA GLN 21 -5.647 -7.387 2.493 185 HB2 GLN 21 HB2 GLN 21 -8.052 -6.091 2.095 186 HB3 GLN 21 HB3 GLN 21 -7.816 -7.663 2.787 187 HG2 GLN 21 HG2 GLN 21 -7.532 -6.500 4.976 188 HG3 GLN 21 HG3 GLN 21 -7.998 -5.036 4.170 189 HE21 GLN 21 HE21 GLN 21 -10.149 -4.986 3.216 190 HE22 GLN 21 HE22 GLN 21 -11.381 -5.922 3.951 191 H PHE 22 H PHE 22 -5.683 -6.910 0.236 192 HA PHE 22 HA PHE 22 -4.867 -4.183 -0.403 193 HB2 PHE 22 HB2 PHE 22 -5.207 -6.693 -2.051 194 HB3 PHE 22 HB3 PHE 22 -4.757 -5.148 -2.760 195 HD1 PHE 22 HD2 PHE 22 -2.744 -3.998 -1.252 196 HD2 PHE 22 HD1 PHE 22 -3.449 -8.146 -1.799 197 HE1 PHE 22 HE2 PHE 22 -0.401 -4.458 -0.746 198 HE2 PHE 22 HE1 PHE 22 -1.104 -8.615 -1.295 199 HZ PHE 22 HZ PHE 22 0.405 -6.765 -0.772 200 H GLU 23 H GLU 23 -7.427 -4.413 0.644 201 HA GLU 23 HA GLU 23 -9.190 -3.590 -1.520 202 HB2 GLU 23 HB2 GLU 23 -10.348 -5.475 -1.206 203 HB3 GLU 23 HB3 GLU 23 -9.366 -5.910 0.204 204 HG2 GLU 23 HG2 GLU 23 -10.759 -4.463 1.615 205 HG3 GLU 23 HG3 GLU 23 -11.735 -4.054 0.203 206 H ARG 24 H ARG 24 -10.791 -2.322 -1.064 207 HA ARG 24 HA ARG 24 -10.654 -0.801 1.417 208 HB2 ARG 24 HB2 ARG 24 -10.816 0.488 -0.613 209 HB3 ARG 24 HB3 ARG 24 -12.224 -0.434 -1.130 210 HG2 ARG 24 HG2 ARG 24 -13.558 0.483 0.522 211 HG3 ARG 24 HG3 ARG 24 -12.165 1.132 1.397 212 HD2 ARG 24 HD2 ARG 24 -11.847 2.291 -1.017 213 HD3 ARG 24 HD3 ARG 24 -13.607 2.219 -0.924 214 HE ARG 24 HE ARG 24 -11.870 3.934 0.532 215 HH11 ARG 24 HH11 ARG 24 -14.929 2.241 0.748 216 HH12 ARG 24 HH12 ARG 24 -15.597 3.346 1.902 217 HH21 ARG 24 HH21 ARG 24 -12.756 5.383 2.052 218 HH22 ARG 24 HH22 ARG 24 -14.365 5.129 2.638 219 HA PRO 25 HA PRO 25 -13.303 -4.065 2.871 220 HB2 PRO 25 HB2 PRO 25 -13.287 -2.449 5.223 221 HB3 PRO 25 HB3 PRO 25 -12.814 -4.106 4.998 222 HG2 PRO 25 HG2 PRO 25 -11.015 -2.202 5.396 223 HG3 PRO 25 HG3 PRO 25 -10.708 -3.523 4.332 224 HD2 PRO 25 HD2 PRO 25 -11.391 -0.720 3.609 225 HD3 PRO 25 HD3 PRO 25 -10.284 -1.890 2.851 226 H SER 26 H SER 26 -15.288 -4.361 3.714 227 HA SER 26 HA SER 26 -17.430 -3.593 2.587 228 HB2 SER 26 HB2 SER 26 -17.518 -5.064 4.436 229 HB3 SER 26 HB3 SER 26 -17.200 -3.718 5.537 230 HG SER 26 HG SER 26 -19.544 -4.361 4.117 231 H ASP 27 H ASP 27 -16.060 -1.679 4.998 232 HA ASP 27 HA ASP 27 -16.096 0.540 5.415 233 HB2 ASP 27 HB2 ASP 27 -15.750 1.411 3.478 234 HB3 ASP 27 HB3 ASP 27 -16.654 0.113 2.697 235 H1 LYS 1 H1 LYS 1 -17.934 6.071 5.331 236 H2 LYS 1 H2 LYS 1 -17.759 5.560 3.702 237 H3 LYS 1 H3 LYS 1 -17.681 7.229 4.092 238 HA LYS 1 HA LYS 1 -15.529 6.232 3.642 239 HB2 LYS 1 HB2 LYS 1 -14.459 7.228 5.622 240 HB3 LYS 1 HB3 LYS 1 -15.766 8.233 5.015 241 HG2 LYS 1 HG2 LYS 1 -16.597 6.338 7.080 242 HG3 LYS 1 HG3 LYS 1 -15.400 7.516 7.620 243 HD2 LYS 1 HD2 LYS 1 -17.779 8.428 6.055 244 HD3 LYS 1 HD3 LYS 1 -17.945 8.074 7.773 245 HE2 LYS 1 HE2 LYS 1 -17.461 10.309 7.802 246 HE3 LYS 1 HE3 LYS 1 -15.867 9.596 8.025 247 HZ1 LYS 1 HZ1 LYS 1 -16.146 11.468 6.316 248 HZ2 LYS 1 HZ2 LYS 1 -16.840 10.287 5.325 249 HZ3 LYS 1 HZ3 LYS 1 -15.247 10.108 5.867 250 H LEU 2 H LEU 2 -13.671 5.122 4.819 251 HA LEU 2 HA LEU 2 -14.024 2.436 5.101 252 HB2 LEU 2 HB2 LEU 2 -12.077 4.314 6.331 253 HB3 LEU 2 HB3 LEU 2 -12.032 2.602 6.639 254 HG LEU 2 HG LEU 2 -11.755 3.853 3.928 255 HD11 LEU 2 HD11 LEU 2 -9.431 2.549 4.651 256 HD12 LEU 2 HD12 LEU 2 -9.970 3.348 6.133 257 HD13 LEU 2 HD13 LEU 2 -9.723 4.299 4.668 258 HD21 LEU 2 HD21 LEU 2 -12.026 1.807 3.108 259 HD22 LEU 2 HD22 LEU 2 -12.365 1.192 4.727 260 HD23 LEU 2 HD23 LEU 2 -10.706 1.232 4.129 261 HA PRO 3 HA PRO 3 -15.765 1.435 9.060 262 HB2 PRO 3 HB2 PRO 3 -14.102 -0.902 9.025 263 HB3 PRO 3 HB3 PRO 3 -15.854 -0.781 8.911 264 HG2 PRO 3 HG2 PRO 3 -14.376 -1.507 6.810 265 HG3 PRO 3 HG3 PRO 3 -15.830 -0.546 6.639 266 HD2 PRO 3 HD2 PRO 3 -12.962 0.374 6.571 267 HD3 PRO 3 HD3 PRO 3 -14.325 0.777 5.525 268 HA PRO 4 HA PRO 4 -13.059 2.606 12.234 269 HB2 PRO 4 HB2 PRO 4 -13.997 0.123 13.427 270 HB3 PRO 4 HB3 PRO 4 -13.782 1.695 14.137 271 HG2 PRO 4 HG2 PRO 4 -16.158 1.143 13.493 272 HG3 PRO 4 HG3 PRO 4 -15.498 2.616 12.807 273 HD2 PRO 4 HD2 PRO 4 -15.674 -0.009 11.550 274 HD3 PRO 4 HD3 PRO 4 -16.229 1.536 10.969 275 H GLY 5 H GLY 5 -11.118 2.468 12.817 276 HA2 GLY 5 HA2 GLY 5 -8.990 1.688 13.105 277 HA3 GLY 5 HA3 GLY 5 -9.651 0.083 12.919 278 H TRP 6 H TRP 6 -10.753 1.030 10.140 279 HA TRP 6 HA TRP 6 -8.512 0.078 8.668 280 HB2 TRP 6 HB2 TRP 6 -11.252 0.906 8.022 281 HB3 TRP 6 HB3 TRP 6 -10.129 0.870 6.707 282 HD1 TRP 6 HD1 TRP 6 -12.700 -0.952 7.929 283 HE1 TRP 6 HE1 TRP 6 -12.581 -3.453 7.558 284 HE3 TRP 6 HE3 TRP 6 -7.879 -1.229 6.759 285 HZ2 TRP 6 HZ2 TRP 6 -10.607 -5.317 6.753 286 HZ3 TRP 6 HZ3 TRP 6 -6.919 -3.376 6.183 287 HH2 TRP 6 HH2 TRP 6 -8.203 -5.336 6.147 288 H GLU 7 H GLU 7 -7.389 1.098 7.066 289 HA GLU 7 HA GLU 7 -7.752 3.861 6.442 290 HB2 GLU 7 HB2 GLU 7 -5.455 2.983 8.185 291 HB3 GLU 7 HB3 GLU 7 -5.226 4.293 7.037 292 HG2 GLU 7 HG2 GLU 7 -7.276 4.239 9.244 293 HG3 GLU 7 HG3 GLU 7 -5.744 5.107 9.279 294 H LYS 8 H LYS 8 -7.275 4.078 4.361 295 HA LYS 8 HA LYS 8 -6.070 1.865 2.975 296 HB2 LYS 8 HB2 LYS 8 -8.005 3.368 2.053 297 HB3 LYS 8 HB3 LYS 8 -6.773 4.614 1.812 298 HG2 LYS 8 HG2 LYS 8 -5.732 2.294 0.600 299 HG3 LYS 8 HG3 LYS 8 -7.426 2.393 0.123 300 HD2 LYS 8 HD2 LYS 8 -7.153 4.467 -0.893 301 HD3 LYS 8 HD3 LYS 8 -5.670 4.814 -0.002 302 HE2 LYS 8 HE2 LYS 8 -4.638 4.212 -1.900 303 HE3 LYS 8 HE3 LYS 8 -4.967 2.565 -1.363 304 HZ1 LYS 8 HZ1 LYS 8 -7.127 2.782 -2.625 305 HZ2 LYS 8 HZ2 LYS 8 -5.723 2.689 -3.564 306 HZ3 LYS 8 HZ3 LYS 8 -6.482 4.181 -3.327 307 H ARG 9 H ARG 9 -3.935 1.657 2.643 308 HA ARG 9 HA ARG 9 -2.247 4.067 2.474 309 HB2 ARG 9 HB2 ARG 9 -1.527 1.547 3.986 310 HB3 ARG 9 HB3 ARG 9 -0.506 2.965 3.793 311 HG2 ARG 9 HG2 ARG 9 -2.276 4.283 4.989 312 HG3 ARG 9 HG3 ARG 9 -3.074 2.751 5.343 313 HD2 ARG 9 HD2 ARG 9 -1.619 3.543 7.193 314 HD3 ARG 9 HD3 ARG 9 -1.127 1.985 6.563 315 HE ARG 9 HE ARG 9 0.797 2.894 5.896 316 HH11 ARG 9 HH11 ARG 9 -1.430 5.529 6.558 317 HH12 ARG 9 HH12 ARG 9 -0.156 6.690 6.713 318 HH21 ARG 9 HH21 ARG 9 2.332 4.304 6.183 319 HH22 ARG 9 HH22 ARG 9 2.049 5.988 6.476 320 H CYS 10 H CYS 10 -0.567 3.987 0.983 321 HA CYS 10 HA CYS 10 -0.096 1.438 -0.383 322 HB2 CYS 10 HB2 CYS 10 -1.830 2.482 -1.723 323 HB3 CYS 10 HB3 CYS 10 -0.916 3.976 -1.809 324 H PHE 11 H PHE 11 1.993 1.103 -0.194 325 HA PHE 11 HA PHE 11 3.797 3.334 -0.824 326 HB2 PHE 11 HB2 PHE 11 5.519 2.408 0.604 327 HB3 PHE 11 HB3 PHE 11 4.034 2.527 1.549 328 HD1 PHE 11 HD1 PHE 11 6.164 0.209 -0.386 329 HD2 PHE 11 HD2 PHE 11 3.179 0.619 2.636 330 HE1 PHE 11 HE1 PHE 11 6.454 -2.171 0.219 331 HE2 PHE 11 HE2 PHE 11 3.458 -1.758 3.242 332 HZ PHE 11 HZ PHE 11 5.097 -3.155 2.034 333 H TYR 12 H TYR 12 5.224 3.011 -2.462 334 HA TYR 12 HA TYR 12 4.892 0.700 -4.149 335 HB2 TYR 12 HB2 TYR 12 6.369 3.284 -4.314 336 HB3 TYR 12 HB3 TYR 12 7.066 1.945 -5.209 337 HD1 TYR 12 HD1 TYR 12 5.812 0.914 -7.097 338 HD2 TYR 12 HD2 TYR 12 4.211 4.245 -4.983 339 HE1 TYR 12 HE1 TYR 12 4.290 1.271 -8.882 340 HE2 TYR 12 HE2 TYR 12 2.622 4.624 -6.760 341 HH TYR 12 HH TYR 12 1.926 3.989 -8.807 342 H PHE 13 H PHE 13 6.467 -0.935 -4.470 343 HA PHE 13 HA PHE 13 8.816 -0.828 -2.653 344 HB2 PHE 13 HB2 PHE 13 6.915 -2.376 -1.820 345 HB3 PHE 13 HB3 PHE 13 7.363 -3.421 -3.171 346 HD1 PHE 13 HD2 PHE 13 8.488 -1.938 -0.031 347 HD2 PHE 13 HD1 PHE 13 9.467 -4.656 -3.157 348 HE1 PHE 13 HE2 PHE 13 10.278 -2.868 1.349 349 HE2 PHE 13 HE1 PHE 13 11.228 -5.642 -1.789 350 HZ PHE 13 HZ PHE 13 11.664 -4.742 0.488 351 H ASN 14 H ASN 14 10.535 -0.881 -3.860 352 HA ASN 14 HA ASN 14 10.414 -2.179 -6.426 353 HB2 ASN 14 HB2 ASN 14 12.800 -1.196 -6.631 354 HB3 ASN 14 HB3 ASN 14 11.437 -0.141 -6.789 355 HD21 ASN 14 HD21 ASN 14 13.725 1.020 -6.362 356 HD22 ASN 14 HD22 ASN 14 13.844 1.597 -4.738 357 H ARG 15 H ARG 15 10.449 -4.321 -5.600 358 HA ARG 15 HA ARG 15 12.133 -5.311 -3.715 359 HB2 ARG 15 HB2 ARG 15 10.534 -6.788 -4.278 360 HB3 ARG 15 HB3 ARG 15 10.711 -6.529 -6.013 361 HG2 ARG 15 HG2 ARG 15 11.777 -8.455 -6.100 362 HG3 ARG 15 HG3 ARG 15 13.103 -7.698 -5.227 363 HD2 ARG 15 HD2 ARG 15 10.758 -9.146 -3.997 364 HD3 ARG 15 HD3 ARG 15 12.408 -9.758 -4.113 365 HE ARG 15 HE ARG 15 11.389 -7.808 -2.236 366 HH11 ARG 15 HH11 ARG 15 14.249 -9.204 -3.703 367 HH12 ARG 15 HH12 ARG 15 15.298 -8.700 -2.422 368 HH21 ARG 15 HH21 ARG 15 12.779 -7.147 -0.556 369 HH22 ARG 15 HH22 ARG 15 14.465 -7.534 -0.636 370 H ILE 16 H ILE 16 13.229 -4.019 -6.752 371 HA ILE 16 HA ILE 16 15.503 -5.547 -7.141 372 HB ILE 16 HB ILE 16 14.759 -2.745 -7.766 373 HG12 ILE 16 HG12 ILE 16 13.864 -3.656 -9.564 374 HG13 ILE 16 HG13 ILE 16 15.393 -4.335 -9.994 375 HG21 ILE 16 HG21 ILE 16 17.243 -4.291 -8.299 376 HG22 ILE 16 HG22 ILE 16 17.081 -2.839 -7.301 377 HG23 ILE 16 HG23 ILE 16 16.860 -2.744 -9.066 378 HD11 ILE 16 HD11 ILE 16 13.127 -5.736 -9.649 379 HD12 ILE 16 HD12 ILE 16 13.876 -5.889 -8.050 380 HD13 ILE 16 HD13 ILE 16 14.756 -6.407 -9.484 381 H THR 17 H THR 17 14.822 -2.514 -5.618 382 HA THR 17 HA THR 17 17.206 -2.642 -4.046 383 HB THR 17 HB THR 17 17.409 -0.396 -4.126 384 HG1 THR 17 HG1 THR 17 15.298 -0.034 -3.218 385 HG21 THR 17 HG21 THR 17 15.777 -0.935 -6.592 386 HG22 THR 17 HG22 THR 17 17.477 -1.355 -6.354 387 HG23 THR 17 HG23 THR 17 16.994 0.344 -6.354 388 H GLY 18 H GLY 18 14.549 -3.897 -3.832 389 HA2 GLY 18 HA2 GLY 18 12.731 -4.035 -2.438 390 HA3 GLY 18 HA3 GLY 18 13.990 -4.401 -1.300 391 H LYS 19 H LYS 19 13.499 -1.289 -2.851 392 HA LYS 19 HA LYS 19 13.314 -0.019 -0.286 393 HB2 LYS 19 HB2 LYS 19 13.775 0.759 -3.043 394 HB3 LYS 19 HB3 LYS 19 12.975 1.951 -2.015 395 HG2 LYS 19 HG2 LYS 19 14.792 1.546 -0.387 396 HG3 LYS 19 HG3 LYS 19 15.619 0.644 -1.684 397 HD2 LYS 19 HD2 LYS 19 15.978 2.556 -2.939 398 HD3 LYS 19 HD3 LYS 19 14.631 3.425 -2.200 399 HE2 LYS 19 HE2 LYS 19 16.221 3.079 -0.048 400 HE3 LYS 19 HE3 LYS 19 17.435 3.164 -1.324 401 HZ1 LYS 19 HZ1 LYS 19 15.319 5.194 -0.838 402 HZ2 LYS 19 HZ2 LYS 19 16.532 5.283 -2.014 403 HZ3 LYS 19 HZ3 LYS 19 16.940 5.343 -0.374 404 H ARG 20 H ARG 20 11.757 1.591 0.216 405 HA ARG 20 HA ARG 20 9.175 1.161 -1.055 406 HB2 ARG 20 HB2 ARG 20 7.998 1.052 0.992 407 HB3 ARG 20 HB3 ARG 20 9.362 -0.105 1.059 408 HG2 ARG 20 HG2 ARG 20 10.637 1.703 2.299 409 HG3 ARG 20 HG3 ARG 20 9.088 2.534 2.461 410 HD2 ARG 20 HD2 ARG 20 9.601 -0.294 3.373 411 HD3 ARG 20 HD3 ARG 20 9.714 1.118 4.422 412 HE ARG 20 HE ARG 20 7.327 -0.192 3.538 413 HH11 ARG 20 HH11 ARG 20 8.631 2.894 4.565 414 HH12 ARG 20 HH12 ARG 20 7.106 3.488 5.126 415 HH21 ARG 20 HH21 ARG 20 5.324 0.598 4.286 416 HH22 ARG 20 HH22 ARG 20 5.229 2.187 4.968 417 H GLN 21 H GLN 21 7.876 2.802 -1.294 418 HA GLN 21 HA GLN 21 8.300 5.308 0.056 419 HB2 GLN 21 HB2 GLN 21 8.121 6.000 -2.621 420 HB3 GLN 21 HB3 GLN 21 9.439 6.324 -1.541 421 HG2 GLN 21 HG2 GLN 21 10.244 4.012 -2.139 422 HG3 GLN 21 HG3 GLN 21 9.034 4.037 -3.384 423 HE21 GLN 21 HE21 GLN 21 9.135 6.105 -4.735 424 HE22 GLN 21 HE22 GLN 21 10.707 6.549 -5.253 425 H PHE 22 H PHE 22 6.382 6.617 -0.093 426 HA PHE 22 HA PHE 22 4.038 5.144 -0.985 427 HB2 PHE 22 HB2 PHE 22 4.357 7.926 0.163 428 HB3 PHE 22 HB3 PHE 22 2.807 7.160 -0.155 429 HD1 PHE 22 HD1 PHE 22 2.555 4.753 0.993 430 HD2 PHE 22 HD2 PHE 22 5.192 7.823 2.311 431 HE1 PHE 22 HE1 PHE 22 2.615 3.736 3.222 432 HE2 PHE 22 HE2 PHE 22 5.258 6.814 4.544 433 HZ PHE 22 HZ PHE 22 3.969 4.775 4.982 434 H GLU 23 H GLU 23 5.848 5.724 -3.034 435 HA GLU 23 HA GLU 23 4.370 7.464 -4.842 436 HB2 GLU 23 HB2 GLU 23 5.983 8.992 -4.629 437 HB3 GLU 23 HB3 GLU 23 6.956 7.896 -3.635 438 HG2 GLU 23 HG2 GLU 23 7.797 6.826 -5.693 439 HG3 GLU 23 HG3 GLU 23 6.892 8.004 -6.641 440 H ARG 24 H ARG 24 4.804 7.245 -6.951 441 HA ARG 24 HA ARG 24 5.987 4.704 -7.823 442 HB2 ARG 24 HB2 ARG 24 3.700 5.170 -8.578 443 HB3 ARG 24 HB3 ARG 24 4.220 6.712 -9.243 444 HG2 ARG 24 HG2 ARG 24 5.625 5.597 -10.805 445 HG3 ARG 24 HG3 ARG 24 5.184 4.022 -10.127 446 HD2 ARG 24 HD2 ARG 24 2.782 4.657 -10.631 447 HD3 ARG 24 HD3 ARG 24 3.434 5.969 -11.599 448 HE ARG 24 HE ARG 24 4.037 4.478 -13.209 449 HH11 ARG 24 HH11 ARG 24 3.094 2.673 -10.374 450 HH12 ARG 24 HH12 ARG 24 3.116 1.148 -11.188 451 HH21 ARG 24 HH21 ARG 24 4.054 2.471 -14.280 452 HH22 ARG 24 HH22 ARG 24 3.658 1.032 -13.402 453 HA PRO 25 HA PRO 25 9.555 7.396 -7.828 454 HB2 PRO 25 HB2 PRO 25 10.802 5.081 -8.957 455 HB3 PRO 25 HB3 PRO 25 11.182 5.992 -7.523 456 HG2 PRO 25 HG2 PRO 25 9.998 3.607 -7.424 457 HG3 PRO 25 HG3 PRO 25 9.739 4.796 -6.235 458 HD2 PRO 25 HD2 PRO 25 7.885 3.895 -8.302 459 HD3 PRO 25 HD3 PRO 25 7.605 4.630 -6.720 460 H SER 26 H SER 26 10.682 8.525 -9.070 461 HA SER 26 HA SER 26 9.907 9.431 -11.446 462 HB2 SER 26 HB2 SER 26 11.508 10.569 -10.112 463 HB3 SER 26 HB3 SER 26 12.664 9.259 -10.391 464 HG SER 26 HG SER 26 13.284 10.453 -12.015 465 H ASP 27 H ASP 27 12.021 6.928 -10.804 466 HA ASP 27 HA ASP 27 12.669 5.125 -12.002 467 HB2 ASP 27 HB2 ASP 27 10.893 4.498 -13.059 468 HB3 ASP 27 HB3 ASP 27 10.352 6.163 -13.224 Start of MODEL 13 1 H1 LYS 1 H1 LYS 1 6.372 6.378 -17.320 2 H2 LYS 1 H2 LYS 1 7.983 5.984 -16.878 3 H3 LYS 1 H3 LYS 1 7.094 7.128 -15.959 4 HA LYS 1 HA LYS 1 5.632 5.512 -15.174 5 HB2 LYS 1 HB2 LYS 1 5.783 3.178 -15.897 6 HB3 LYS 1 HB3 LYS 1 5.462 4.237 -17.261 7 HG2 LYS 1 HG2 LYS 1 8.303 3.660 -16.753 8 HG3 LYS 1 HG3 LYS 1 7.319 2.286 -17.258 9 HD2 LYS 1 HD2 LYS 1 7.173 3.041 -19.360 10 HD3 LYS 1 HD3 LYS 1 6.787 4.676 -18.829 11 HE2 LYS 1 HE2 LYS 1 8.776 5.214 -19.647 12 HE3 LYS 1 HE3 LYS 1 9.420 4.488 -18.178 13 HZ1 LYS 1 HZ1 LYS 1 9.130 3.196 -20.834 14 HZ2 LYS 1 HZ2 LYS 1 9.556 2.361 -19.426 15 HZ3 LYS 1 HZ3 LYS 1 10.572 3.571 -20.031 16 H LEU 2 H LEU 2 6.159 3.735 -13.586 17 HA LEU 2 HA LEU 2 8.150 4.406 -11.837 18 HB2 LEU 2 HB2 LEU 2 6.801 1.822 -12.410 19 HB3 LEU 2 HB3 LEU 2 8.003 1.988 -11.163 20 HG LEU 2 HG LEU 2 5.423 3.513 -11.257 21 HD11 LEU 2 HD11 LEU 2 4.587 1.605 -10.535 22 HD12 LEU 2 HD12 LEU 2 5.541 1.829 -9.054 23 HD13 LEU 2 HD13 LEU 2 6.188 0.882 -10.398 24 HD21 LEU 2 HD21 LEU 2 6.559 3.374 -8.686 25 HD22 LEU 2 HD22 LEU 2 6.321 4.815 -9.694 26 HD23 LEU 2 HD23 LEU 2 7.840 3.912 -9.776 27 HA PRO 3 HA PRO 3 12.059 2.781 -13.169 28 HB2 PRO 3 HB2 PRO 3 12.632 2.322 -10.396 29 HB3 PRO 3 HB3 PRO 3 13.361 3.476 -11.507 30 HG2 PRO 3 HG2 PRO 3 11.773 4.280 -9.518 31 HG3 PRO 3 HG3 PRO 3 11.804 5.091 -11.069 32 HD2 PRO 3 HD2 PRO 3 9.778 3.123 -10.028 33 HD3 PRO 3 HD3 PRO 3 9.564 4.660 -10.868 34 HA PRO 4 HA PRO 4 11.923 -1.553 -13.264 35 HB2 PRO 4 HB2 PRO 4 14.652 -1.282 -12.290 36 HB3 PRO 4 HB3 PRO 4 14.003 -2.308 -13.534 37 HG2 PRO 4 HG2 PRO 4 15.137 -0.217 -14.375 38 HG3 PRO 4 HG3 PRO 4 13.480 -0.457 -14.898 39 HD2 PRO 4 HD2 PRO 4 14.425 1.195 -12.689 40 HD3 PRO 4 HD3 PRO 4 13.398 1.622 -14.028 41 H GLY 5 H GLY 5 11.412 -3.173 -12.146 42 HA2 GLY 5 HA2 GLY 5 11.020 -4.532 -10.352 43 HA3 GLY 5 HA3 GLY 5 12.214 -3.594 -9.495 44 H TRP 6 H TRP 6 10.457 -1.075 -10.141 45 HA TRP 6 HA TRP 6 9.027 -1.162 -7.681 46 HB2 TRP 6 HB2 TRP 6 9.478 0.839 -9.782 47 HB3 TRP 6 HB3 TRP 6 8.136 1.124 -8.729 48 HD1 TRP 6 HD1 TRP 6 11.293 2.239 -9.231 49 HE1 TRP 6 HE1 TRP 6 12.543 3.029 -7.177 50 HE3 TRP 6 HE3 TRP 6 8.336 0.204 -5.814 51 HZ2 TRP 6 HZ2 TRP 6 12.203 2.849 -4.374 52 HZ3 TRP 6 HZ3 TRP 6 8.818 0.549 -3.476 53 HH2 TRP 6 HH2 TRP 6 10.636 1.825 -2.763 54 H GLU 7 H GLU 7 6.855 -0.893 -7.358 55 HA GLU 7 HA GLU 7 4.966 -0.848 -9.480 56 HB2 GLU 7 HB2 GLU 7 3.814 -2.972 -8.909 57 HB3 GLU 7 HB3 GLU 7 5.414 -3.237 -9.579 58 HG2 GLU 7 HG2 GLU 7 5.353 -3.092 -6.655 59 HG3 GLU 7 HG3 GLU 7 4.414 -4.414 -7.333 60 H LYS 8 H LYS 8 3.360 0.368 -8.779 61 HA LYS 8 HA LYS 8 3.272 1.152 -6.041 62 HB2 LYS 8 HB2 LYS 8 2.638 2.613 -8.132 63 HB3 LYS 8 HB3 LYS 8 1.110 1.716 -8.140 64 HG2 LYS 8 HG2 LYS 8 0.774 2.459 -5.747 65 HG3 LYS 8 HG3 LYS 8 2.139 3.548 -5.985 66 HD2 LYS 8 HD2 LYS 8 0.901 4.468 -7.985 67 HD3 LYS 8 HD3 LYS 8 -0.495 3.536 -7.441 68 HE2 LYS 8 HE2 LYS 8 -0.916 4.925 -5.712 69 HE3 LYS 8 HE3 LYS 8 0.792 5.209 -5.387 70 HZ1 LYS 8 HZ1 LYS 8 0.013 6.361 -7.870 71 HZ2 LYS 8 HZ2 LYS 8 0.720 7.098 -6.523 72 HZ3 LYS 8 HZ3 LYS 8 -0.961 6.935 -6.611 73 H ARG 9 H ARG 9 2.152 0.226 -4.440 74 HA ARG 9 HA ARG 9 -0.111 -1.554 -5.093 75 HB2 ARG 9 HB2 ARG 9 2.108 -2.652 -4.340 76 HB3 ARG 9 HB3 ARG 9 1.715 -2.020 -2.748 77 HG2 ARG 9 HG2 ARG 9 0.803 -4.090 -2.567 78 HG3 ARG 9 HG3 ARG 9 -0.587 -3.224 -3.224 79 HD2 ARG 9 HD2 ARG 9 -0.145 -5.393 -4.359 80 HD3 ARG 9 HD3 ARG 9 -0.078 -4.023 -5.448 81 HE ARG 9 HE ARG 9 2.077 -4.461 -5.815 82 HH11 ARG 9 HH11 ARG 9 1.155 -6.173 -2.888 83 HH12 ARG 9 HH12 ARG 9 2.492 -7.267 -2.994 84 HH21 ARG 9 HH21 ARG 9 3.642 -5.863 -5.974 85 HH22 ARG 9 HH22 ARG 9 3.965 -7.083 -4.786 86 H CYS 10 H CYS 10 -1.873 -1.565 -3.642 87 HA CYS 10 HA CYS 10 -1.755 0.455 -1.504 88 HB2 CYS 10 HB2 CYS 10 -4.138 0.066 -3.315 89 HB3 CYS 10 HB3 CYS 10 -3.985 1.235 -2.015 90 H PHE 11 H PHE 11 -2.004 -0.500 0.376 91 HA PHE 11 HA PHE 11 -3.976 -2.669 0.564 92 HB2 PHE 11 HB2 PHE 11 -2.726 -3.718 2.326 93 HB3 PHE 11 HB3 PHE 11 -1.590 -3.375 1.019 94 HD1 PHE 11 HD1 PHE 11 -2.773 -2.293 4.341 95 HD2 PHE 11 HD2 PHE 11 0.272 -1.937 1.387 96 HE1 PHE 11 HE1 PHE 11 -1.340 -1.113 5.959 97 HE2 PHE 11 HE2 PHE 11 1.702 -0.750 3.001 98 HZ PHE 11 HZ PHE 11 0.896 -0.337 5.288 99 H TYR 12 H TYR 12 -5.554 -2.482 2.087 100 HA TYR 12 HA TYR 12 -5.889 0.062 3.410 101 HB2 TYR 12 HB2 TYR 12 -7.562 -2.362 2.969 102 HB3 TYR 12 HB3 TYR 12 -7.911 -1.426 4.422 103 HD1 TYR 12 HD1 TYR 12 -8.641 0.913 4.236 104 HD2 TYR 12 HD2 TYR 12 -8.022 -1.417 0.750 105 HE1 TYR 12 HE1 TYR 12 -9.920 2.477 3.001 106 HE2 TYR 12 HE2 TYR 12 -9.286 0.154 -0.560 107 HH TYR 12 HH TYR 12 -10.015 3.222 0.446 108 H PHE 13 H PHE 13 -5.778 0.404 5.661 109 HA PHE 13 HA PHE 13 -4.841 -1.920 7.275 110 HB2 PHE 13 HB2 PHE 13 -3.011 -0.211 6.622 111 HB3 PHE 13 HB3 PHE 13 -3.809 0.864 7.773 112 HD1 PHE 13 HD1 PHE 13 -2.017 -2.285 7.370 113 HD2 PHE 13 HD2 PHE 13 -3.691 0.434 10.171 114 HE1 PHE 13 HE1 PHE 13 -0.808 -3.400 9.167 115 HE2 PHE 13 HE2 PHE 13 -2.453 -0.620 11.976 116 HZ PHE 13 HZ PHE 13 -1.001 -2.570 11.492 117 H ASN 14 H ASN 14 -6.237 -2.273 8.820 118 HA ASN 14 HA ASN 14 -7.854 -0.088 9.781 119 HB2 ASN 14 HB2 ASN 14 -9.023 -2.004 11.078 120 HB3 ASN 14 HB3 ASN 14 -9.342 -1.821 9.386 121 HD21 ASN 14 HD21 ASN 14 -10.046 -4.106 10.311 122 HD22 ASN 14 HD22 ASN 14 -8.921 -5.354 9.913 123 H ARG 15 H ARG 15 -6.202 0.873 11.050 124 HA ARG 15 HA ARG 15 -4.501 -0.417 12.725 125 HB2 ARG 15 HB2 ARG 15 -3.927 1.735 12.469 126 HB3 ARG 15 HB3 ARG 15 -5.573 2.343 12.664 127 HG2 ARG 15 HG2 ARG 15 -5.451 1.966 15.050 128 HG3 ARG 15 HG3 ARG 15 -3.825 1.304 14.876 129 HD2 ARG 15 HD2 ARG 15 -4.690 4.122 14.221 130 HD3 ARG 15 HD3 ARG 15 -3.730 3.632 15.618 131 HE ARG 15 HE ARG 15 -2.806 4.048 12.938 132 HH11 ARG 15 HH11 ARG 15 -2.168 2.296 15.906 133 HH12 ARG 15 HH12 ARG 15 -0.487 2.079 15.557 134 HH21 ARG 15 HH21 ARG 15 -0.593 3.757 12.489 135 HH22 ARG 15 HH22 ARG 15 0.408 2.908 13.619 136 H ILE 16 H ILE 16 -7.929 -0.461 13.177 137 HA ILE 16 HA ILE 16 -8.030 -0.571 15.954 138 HB ILE 16 HB ILE 16 -9.719 -1.637 13.762 139 HG12 ILE 16 HG12 ILE 16 -10.664 0.349 13.874 140 HG13 ILE 16 HG13 ILE 16 -11.022 0.101 15.546 141 HG21 ILE 16 HG21 ILE 16 -9.955 -1.858 16.718 142 HG22 ILE 16 HG22 ILE 16 -9.754 -3.176 15.555 143 HG23 ILE 16 HG23 ILE 16 -11.268 -2.240 15.596 144 HD11 ILE 16 HD11 ILE 16 -8.316 1.034 15.034 145 HD12 ILE 16 HD12 ILE 16 -9.505 1.585 16.209 146 HD13 ILE 16 HD13 ILE 16 -9.593 2.150 14.535 147 H THR 17 H THR 17 -8.013 -2.883 13.377 148 HA THR 17 HA THR 17 -7.107 -4.973 15.096 149 HB THR 17 HB THR 17 -8.196 -6.497 13.815 150 HG1 THR 17 HG1 THR 17 -7.143 -5.809 11.854 151 HG21 THR 17 HG21 THR 17 -9.783 -4.002 13.277 152 HG22 THR 17 HG22 THR 17 -9.703 -4.856 14.823 153 HG23 THR 17 HG23 THR 17 -10.384 -5.673 13.412 154 H GLY 18 H GLY 18 -5.775 -2.680 13.769 155 HA2 GLY 18 HA2 GLY 18 -4.099 -2.198 12.278 156 HA3 GLY 18 HA3 GLY 18 -3.228 -3.249 13.351 157 H LYS 19 H LYS 19 -5.860 -4.232 11.237 158 HA LYS 19 HA LYS 19 -4.144 -6.186 10.018 159 HB2 LYS 19 HB2 LYS 19 -7.002 -5.662 10.189 160 HB3 LYS 19 HB3 LYS 19 -6.422 -6.513 8.755 161 HG2 LYS 19 HG2 LYS 19 -5.172 -7.954 10.391 162 HG3 LYS 19 HG3 LYS 19 -6.274 -7.266 11.614 163 HD2 LYS 19 HD2 LYS 19 -7.526 -9.086 11.018 164 HD3 LYS 19 HD3 LYS 19 -8.061 -7.986 9.746 165 HE2 LYS 19 HE2 LYS 19 -7.538 -10.002 8.649 166 HE3 LYS 19 HE3 LYS 19 -6.173 -8.932 8.337 167 HZ1 LYS 19 HZ1 LYS 19 -6.279 -11.105 10.360 168 HZ2 LYS 19 HZ2 LYS 19 -4.982 -10.038 10.162 169 HZ3 LYS 19 HZ3 LYS 19 -5.388 -11.113 8.921 170 H ARG 20 H ARG 20 -4.059 -6.582 7.777 171 HA ARG 20 HA ARG 20 -4.391 -4.165 6.186 172 HB2 ARG 20 HB2 ARG 20 -2.357 -4.450 5.040 173 HB3 ARG 20 HB3 ARG 20 -2.032 -4.605 6.792 174 HG2 ARG 20 HG2 ARG 20 -0.927 -6.468 6.294 175 HG3 ARG 20 HG3 ARG 20 -2.502 -7.203 5.994 176 HD2 ARG 20 HD2 ARG 20 -2.338 -6.457 3.630 177 HD3 ARG 20 HD3 ARG 20 -0.709 -5.871 3.966 178 HE ARG 20 HE ARG 20 -1.524 -8.593 3.555 179 HH11 ARG 20 HH11 ARG 20 0.894 -6.539 5.042 180 HH12 ARG 20 HH12 ARG 20 2.110 -7.771 5.051 181 HH21 ARG 20 HH21 ARG 20 0.084 -10.210 3.571 182 HH22 ARG 20 HH22 ARG 20 1.651 -9.854 4.217 183 H GLN 21 H GLN 21 -5.097 -4.293 4.218 184 HA GLN 21 HA GLN 21 -5.715 -6.917 3.052 185 HB2 GLN 21 HB2 GLN 21 -7.529 -4.579 2.988 186 HB3 GLN 21 HB3 GLN 21 -7.936 -6.261 2.647 187 HG2 GLN 21 HG2 GLN 21 -7.063 -6.072 5.315 188 HG3 GLN 21 HG3 GLN 21 -8.114 -4.743 4.994 189 HE21 GLN 21 HE21 GLN 21 -10.147 -5.366 3.790 190 HE22 GLN 21 HE22 GLN 21 -10.934 -6.769 4.374 191 H PHE 22 H PHE 22 -6.312 -6.618 0.693 192 HA PHE 22 HA PHE 22 -4.912 -4.281 -0.475 193 HB2 PHE 22 HB2 PHE 22 -5.433 -7.071 -1.533 194 HB3 PHE 22 HB3 PHE 22 -4.921 -5.754 -2.583 195 HD1 PHE 22 HD2 PHE 22 -2.753 -4.508 -1.838 196 HD2 PHE 22 HD1 PHE 22 -3.833 -8.388 -0.513 197 HE1 PHE 22 HE2 PHE 22 -0.417 -4.954 -1.264 198 HE2 PHE 22 HE1 PHE 22 -1.501 -8.846 0.068 199 HZ PHE 22 HZ PHE 22 0.191 -7.123 -0.314 200 H GLU 23 H GLU 23 -7.550 -4.527 0.657 201 HA GLU 23 HA GLU 23 -9.378 -3.704 -1.468 202 HB2 GLU 23 HB2 GLU 23 -10.512 -5.620 -1.173 203 HB3 GLU 23 HB3 GLU 23 -9.368 -6.120 0.078 204 HG2 GLU 23 HG2 GLU 23 -10.676 -4.844 1.753 205 HG3 GLU 23 HG3 GLU 23 -11.836 -4.453 0.487 206 H ARG 24 H ARG 24 -11.268 -2.711 -0.707 207 HA ARG 24 HA ARG 24 -10.876 -1.246 1.781 208 HB2 ARG 24 HB2 ARG 24 -11.309 0.198 -0.037 209 HB3 ARG 24 HB3 ARG 24 -12.719 -0.745 -0.531 210 HG2 ARG 24 HG2 ARG 24 -13.445 -0.304 1.911 211 HG3 ARG 24 HG3 ARG 24 -12.363 1.084 1.763 212 HD2 ARG 24 HD2 ARG 24 -14.101 0.764 -0.546 213 HD3 ARG 24 HD3 ARG 24 -15.018 0.958 0.946 214 HE ARG 24 HE ARG 24 -14.271 3.116 1.130 215 HH11 ARG 24 HH11 ARG 24 -12.617 1.532 -1.522 216 HH12 ARG 24 HH12 ARG 24 -11.962 3.005 -2.152 217 HH21 ARG 24 HH21 ARG 24 -13.404 5.052 0.288 218 HH22 ARG 24 HH22 ARG 24 -12.407 4.999 -1.127 219 HA PRO 25 HA PRO 25 -13.024 -4.943 3.330 220 HB2 PRO 25 HB2 PRO 25 -12.995 -3.471 5.715 221 HB3 PRO 25 HB3 PRO 25 -12.124 -4.931 5.309 222 HG2 PRO 25 HG2 PRO 25 -11.176 -2.188 5.305 223 HG3 PRO 25 HG3 PRO 25 -10.263 -3.654 5.193 224 HD2 PRO 25 HD2 PRO 25 -10.444 -1.993 3.121 225 HD3 PRO 25 HD3 PRO 25 -10.308 -3.731 2.959 226 H SER 26 H SER 26 -14.906 -5.460 4.080 227 HA SER 26 HA SER 26 -17.031 -3.688 3.546 228 HB2 SER 26 HB2 SER 26 -17.076 -6.472 4.588 229 HB3 SER 26 HB3 SER 26 -18.464 -5.511 4.061 230 HG SER 26 HG SER 26 -18.037 -6.146 2.114 231 H ASP 27 H ASP 27 -18.628 -3.254 4.767 232 HA ASP 27 HA ASP 27 -17.976 -2.373 7.366 233 HB2 ASP 27 HB2 ASP 27 -19.205 -0.686 6.791 234 HB3 ASP 27 HB3 ASP 27 -19.402 -1.461 5.218 235 H1 LYS 1 H1 LYS 1 -17.817 4.640 3.182 236 H2 LYS 1 H2 LYS 1 -16.874 5.906 2.510 237 H3 LYS 1 H3 LYS 1 -16.815 5.591 4.197 238 HA LYS 1 HA LYS 1 -15.956 3.732 2.081 239 HB2 LYS 1 HB2 LYS 1 -13.694 4.341 2.695 240 HB3 LYS 1 HB3 LYS 1 -14.579 5.787 2.234 241 HG2 LYS 1 HG2 LYS 1 -14.283 6.730 4.229 242 HG3 LYS 1 HG3 LYS 1 -14.718 5.252 5.090 243 HD2 LYS 1 HD2 LYS 1 -12.577 4.788 5.497 244 HD3 LYS 1 HD3 LYS 1 -12.164 4.957 3.792 245 HE2 LYS 1 HE2 LYS 1 -11.229 6.921 4.130 246 HE3 LYS 1 HE3 LYS 1 -12.640 7.525 4.992 247 HZ1 LYS 1 HZ1 LYS 1 -10.254 6.167 6.072 248 HZ2 LYS 1 HZ2 LYS 1 -11.709 6.151 6.935 249 HZ3 LYS 1 HZ3 LYS 1 -10.964 7.623 6.564 250 H LEU 2 H LEU 2 -14.347 2.141 3.109 251 HA LEU 2 HA LEU 2 -15.510 0.395 4.703 252 HB2 LEU 2 HB2 LEU 2 -13.499 -0.704 4.944 253 HB3 LEU 2 HB3 LEU 2 -13.364 0.197 3.462 254 HG LEU 2 HG LEU 2 -12.092 0.751 6.073 255 HD11 LEU 2 HD11 LEU 2 -10.679 -0.583 4.829 256 HD12 LEU 2 HD12 LEU 2 -10.195 1.070 4.376 257 HD13 LEU 2 HD13 LEU 2 -11.247 0.124 3.313 258 HD21 LEU 2 HD21 LEU 2 -11.447 2.840 5.344 259 HD22 LEU 2 HD22 LEU 2 -13.187 2.691 5.061 260 HD23 LEU 2 HD23 LEU 2 -12.015 2.511 3.709 261 HA PRO 3 HA PRO 3 -15.995 0.728 8.994 262 HB2 PRO 3 HB2 PRO 3 -13.866 -1.239 9.284 263 HB3 PRO 3 HB3 PRO 3 -15.517 -1.266 9.885 264 HG2 PRO 3 HG2 PRO 3 -14.746 -2.686 7.747 265 HG3 PRO 3 HG3 PRO 3 -16.371 -2.017 7.890 266 HD2 PRO 3 HD2 PRO 3 -14.123 -1.184 6.179 267 HD3 PRO 3 HD3 PRO 3 -15.841 -0.976 5.942 268 HA PRO 4 HA PRO 4 -13.303 3.196 11.366 269 HB2 PRO 4 HB2 PRO 4 -13.837 1.140 13.352 270 HB3 PRO 4 HB3 PRO 4 -13.904 2.870 13.493 271 HG2 PRO 4 HG2 PRO 4 -16.139 1.752 13.242 272 HG3 PRO 4 HG3 PRO 4 -15.763 2.989 12.054 273 HD2 PRO 4 HD2 PRO 4 -15.420 0.105 11.766 274 HD3 PRO 4 HD3 PRO 4 -16.338 1.207 10.780 275 H GLY 5 H GLY 5 -11.350 3.378 12.193 276 HA2 GLY 5 HA2 GLY 5 -9.175 2.819 12.668 277 HA3 GLY 5 HA3 GLY 5 -9.698 1.153 12.654 278 H TRP 6 H TRP 6 -10.815 1.501 9.849 279 HA TRP 6 HA TRP 6 -8.500 0.688 8.461 280 HB2 TRP 6 HB2 TRP 6 -11.337 1.117 7.767 281 HB3 TRP 6 HB3 TRP 6 -10.199 1.015 6.485 282 HD1 TRP 6 HD1 TRP 6 -12.579 -0.853 8.011 283 HE1 TRP 6 HE1 TRP 6 -12.142 -3.383 8.043 284 HE3 TRP 6 HE3 TRP 6 -7.797 -0.745 6.644 285 HZ2 TRP 6 HZ2 TRP 6 -9.917 -5.121 7.457 286 HZ3 TRP 6 HZ3 TRP 6 -6.582 -2.815 6.342 287 HH2 TRP 6 HH2 TRP 6 -7.576 -4.903 6.696 288 H GLU 7 H GLU 7 -7.543 1.657 6.707 289 HA GLU 7 HA GLU 7 -8.337 4.166 5.708 290 HB2 GLU 7 HB2 GLU 7 -6.154 5.328 6.299 291 HB3 GLU 7 HB3 GLU 7 -7.388 5.250 7.544 292 HG2 GLU 7 HG2 GLU 7 -6.217 3.586 8.745 293 HG3 GLU 7 HG3 GLU 7 -5.127 3.275 7.394 294 H LYS 8 H LYS 8 -8.136 3.588 3.754 295 HA LYS 8 HA LYS 8 -6.542 1.711 2.583 296 HB2 LYS 8 HB2 LYS 8 -8.394 3.234 1.462 297 HB3 LYS 8 HB3 LYS 8 -7.094 4.400 1.197 298 HG2 LYS 8 HG2 LYS 8 -5.958 2.160 0.152 299 HG3 LYS 8 HG3 LYS 8 -7.661 1.886 -0.212 300 HD2 LYS 8 HD2 LYS 8 -6.369 4.526 -0.792 301 HD3 LYS 8 HD3 LYS 8 -6.225 3.176 -1.919 302 HE2 LYS 8 HE2 LYS 8 -8.670 3.022 -2.033 303 HE3 LYS 8 HE3 LYS 8 -8.804 4.381 -0.919 304 HZ1 LYS 8 HZ1 LYS 8 -7.834 5.826 -2.518 305 HZ2 LYS 8 HZ2 LYS 8 -9.062 4.969 -3.304 306 HZ3 LYS 8 HZ3 LYS 8 -7.444 4.544 -3.551 307 H ARG 9 H ARG 9 -4.376 1.571 2.025 308 HA ARG 9 HA ARG 9 -2.705 3.996 2.183 309 HB2 ARG 9 HB2 ARG 9 -2.677 2.212 4.177 310 HB3 ARG 9 HB3 ARG 9 -1.539 1.415 3.101 311 HG2 ARG 9 HG2 ARG 9 -0.045 2.672 4.210 312 HG3 ARG 9 HG3 ARG 9 -0.537 3.903 3.047 313 HD2 ARG 9 HD2 ARG 9 -0.508 4.718 5.397 314 HD3 ARG 9 HD3 ARG 9 -2.086 4.846 4.647 315 HE ARG 9 HE ARG 9 -2.879 3.412 6.155 316 HH11 ARG 9 HH11 ARG 9 0.619 3.080 6.161 317 HH12 ARG 9 HH12 ARG 9 0.639 2.332 7.722 318 HH21 ARG 9 HH21 ARG 9 -2.820 2.592 8.094 319 HH22 ARG 9 HH22 ARG 9 -1.370 2.024 8.854 320 H CYS 10 H CYS 10 -0.607 3.798 1.016 321 HA CYS 10 HA CYS 10 -0.474 1.617 -0.918 322 HB2 CYS 10 HB2 CYS 10 -0.400 4.457 -1.930 323 HB3 CYS 10 HB3 CYS 10 -0.432 2.976 -2.872 324 H PHE 11 H PHE 11 1.485 0.856 -0.920 325 HA PHE 11 HA PHE 11 3.738 2.727 -0.619 326 HB2 PHE 11 HB2 PHE 11 5.025 1.042 0.543 327 HB3 PHE 11 HB3 PHE 11 3.443 1.128 1.327 328 HD1 PHE 11 HD2 PHE 11 5.648 -0.830 -0.848 329 HD2 PHE 11 HD1 PHE 11 1.918 -0.742 1.220 330 HE1 PHE 11 HE2 PHE 11 5.410 -3.270 -1.172 331 HE2 PHE 11 HE1 PHE 11 1.669 -3.177 0.893 332 HZ PHE 11 HZ PHE 11 3.418 -4.443 -0.306 333 H TYR 12 H TYR 12 5.376 2.562 -2.107 334 HA TYR 12 HA TYR 12 4.893 0.963 -4.476 335 HB2 TYR 12 HB2 TYR 12 6.770 3.181 -3.740 336 HB3 TYR 12 HB3 TYR 12 7.281 2.078 -5.014 337 HD1 TYR 12 HD1 TYR 12 6.029 1.965 -7.158 338 HD2 TYR 12 HD2 TYR 12 4.848 4.676 -4.077 339 HE1 TYR 12 HE1 TYR 12 4.625 3.109 -8.690 340 HE2 TYR 12 HE2 TYR 12 3.435 5.857 -5.620 341 HH TYR 12 HH TYR 12 2.765 4.610 -8.822 342 H PHE 13 H PHE 13 6.203 -0.809 -5.091 343 HA PHE 13 HA PHE 13 8.299 -1.594 -3.122 344 HB2 PHE 13 HB2 PHE 13 6.094 -2.958 -3.026 345 HB3 PHE 13 HB3 PHE 13 6.633 -3.654 -4.555 346 HD1 PHE 13 HD1 PHE 13 7.325 -3.342 -0.989 347 HD2 PHE 13 HD2 PHE 13 8.592 -5.142 -4.638 348 HE1 PHE 13 HE1 PHE 13 8.729 -4.903 0.269 349 HE2 PHE 13 HE2 PHE 13 9.948 -6.748 -3.404 350 HZ PHE 13 HZ PHE 13 10.046 -6.631 -0.926 351 H ASN 14 H ASN 14 10.167 -1.611 -4.103 352 HA ASN 14 HA ASN 14 10.239 -2.084 -6.945 353 HB2 ASN 14 HB2 ASN 14 12.757 -1.473 -6.573 354 HB3 ASN 14 HB3 ASN 14 11.560 -0.224 -6.651 355 HD21 ASN 14 HD21 ASN 14 13.825 0.495 -5.614 356 HD22 ASN 14 HD22 ASN 14 13.727 0.634 -3.896 357 H ARG 15 H ARG 15 9.859 -4.361 -6.684 358 HA ARG 15 HA ARG 15 11.116 -6.081 -5.036 359 HB2 ARG 15 HB2 ARG 15 9.480 -7.124 -6.143 360 HB3 ARG 15 HB3 ARG 15 9.872 -6.384 -7.697 361 HG2 ARG 15 HG2 ARG 15 11.830 -7.871 -7.864 362 HG3 ARG 15 HG3 ARG 15 11.320 -8.662 -6.373 363 HD2 ARG 15 HD2 ARG 15 10.399 -10.068 -7.951 364 HD3 ARG 15 HD3 ARG 15 9.056 -8.962 -7.668 365 HE ARG 15 HE ARG 15 9.259 -8.232 -9.820 366 HH11 ARG 15 HH11 ARG 15 12.222 -9.885 -8.947 367 HH12 ARG 15 HH12 ARG 15 12.881 -9.804 -10.545 368 HH21 ARG 15 HH21 ARG 15 10.135 -8.130 -11.923 369 HH22 ARG 15 HH22 ARG 15 11.698 -8.809 -12.234 370 H ILE 16 H ILE 16 12.856 -4.296 -7.478 371 HA ILE 16 HA ILE 16 14.902 -6.116 -7.967 372 HB ILE 16 HB ILE 16 14.692 -3.161 -8.021 373 HG12 ILE 16 HG12 ILE 16 13.930 -3.539 -10.057 374 HG13 ILE 16 HG13 ILE 16 15.412 -4.332 -10.459 375 HG21 ILE 16 HG21 ILE 16 16.873 -3.755 -7.313 376 HG22 ILE 16 HG22 ILE 16 16.948 -3.275 -9.027 377 HG23 ILE 16 HG23 ILE 16 16.974 -4.987 -8.575 378 HD11 ILE 16 HD11 ILE 16 13.456 -6.015 -9.100 379 HD12 ILE 16 HD12 ILE 16 14.462 -6.350 -10.505 380 HD13 ILE 16 HD13 ILE 16 12.971 -5.420 -10.688 381 H THR 17 H THR 17 14.466 -3.397 -5.880 382 HA THR 17 HA THR 17 16.548 -4.259 -4.131 383 HB THR 17 HB THR 17 16.942 -2.099 -3.553 384 HG1 THR 17 HG1 THR 17 14.740 -1.720 -2.909 385 HG21 THR 17 HG21 THR 17 17.048 -0.834 -5.542 386 HG22 THR 17 HG22 THR 17 15.703 -1.749 -6.268 387 HG23 THR 17 HG23 THR 17 17.254 -2.538 -5.955 388 H GLY 18 H GLY 18 13.736 -5.118 -4.576 389 HA2 GLY 18 HA2 GLY 18 11.739 -5.352 -3.481 390 HA3 GLY 18 HA3 GLY 18 12.770 -6.205 -2.374 391 H LYS 19 H LYS 19 12.894 -2.758 -3.000 392 HA LYS 19 HA LYS 19 12.521 -2.219 -0.216 393 HB2 LYS 19 HB2 LYS 19 13.396 -0.786 -2.585 394 HB3 LYS 19 HB3 LYS 19 12.632 0.173 -1.318 395 HG2 LYS 19 HG2 LYS 19 14.194 -1.006 0.240 396 HG3 LYS 19 HG3 LYS 19 15.077 -1.497 -1.230 397 HD2 LYS 19 HD2 LYS 19 16.193 0.452 -0.772 398 HD3 LYS 19 HD3 LYS 19 14.862 1.116 -1.722 399 HE2 LYS 19 HE2 LYS 19 14.790 0.885 1.281 400 HE3 LYS 19 HE3 LYS 19 15.390 2.314 0.441 401 HZ1 LYS 19 HZ1 LYS 19 13.138 2.288 -0.730 402 HZ2 LYS 19 HZ2 LYS 19 13.173 2.790 0.884 403 HZ3 LYS 19 HZ3 LYS 19 12.641 1.233 0.497 404 H ARG 20 H ARG 20 11.129 -0.610 0.590 405 HA ARG 20 HA ARG 20 8.709 -0.229 -0.972 406 HB2 ARG 20 HB2 ARG 20 7.259 -0.711 0.840 407 HB3 ARG 20 HB3 ARG 20 8.415 -2.060 0.654 408 HG2 ARG 20 HG2 ARG 20 9.032 -1.873 2.768 409 HG3 ARG 20 HG3 ARG 20 9.487 -0.189 2.513 410 HD2 ARG 20 HD2 ARG 20 7.865 0.236 4.010 411 HD3 ARG 20 HD3 ARG 20 6.785 0.017 2.635 412 HE ARG 20 HE ARG 20 6.051 -1.950 3.554 413 HH11 ARG 20 HH11 ARG 20 8.953 -0.940 5.237 414 HH12 ARG 20 HH12 ARG 20 8.794 -2.134 6.480 415 HH21 ARG 20 HH21 ARG 20 5.849 -3.520 5.196 416 HH22 ARG 20 HH22 ARG 20 7.033 -3.598 6.457 417 H GLN 21 H GLN 21 7.701 1.609 -0.795 418 HA GLN 21 HA GLN 21 8.381 3.506 1.262 419 HB2 GLN 21 HB2 GLN 21 8.545 4.956 -1.093 420 HB3 GLN 21 HB3 GLN 21 9.804 4.699 0.071 421 HG2 GLN 21 HG2 GLN 21 10.291 2.573 -1.162 422 HG3 GLN 21 HG3 GLN 21 9.168 3.118 -2.365 423 HE21 GLN 21 HE21 GLN 21 9.674 5.190 -3.408 424 HE22 GLN 21 HE22 GLN 21 11.327 5.585 -3.623 425 H PHE 22 H PHE 22 6.724 5.086 1.488 426 HA PHE 22 HA PHE 22 4.246 4.422 0.101 427 HB2 PHE 22 HB2 PHE 22 4.965 6.458 2.215 428 HB3 PHE 22 HB3 PHE 22 3.357 6.352 1.514 429 HD1 PHE 22 HD1 PHE 22 2.299 3.910 1.598 430 HD2 PHE 22 HD2 PHE 22 5.380 5.309 4.179 431 HE1 PHE 22 HE1 PHE 22 1.705 2.183 3.231 432 HE2 PHE 22 HE2 PHE 22 4.794 3.585 5.820 433 HZ PHE 22 HZ PHE 22 2.959 2.032 5.333 434 H GLU 23 H GLU 23 6.298 5.284 -1.562 435 HA GLU 23 HA GLU 23 5.343 7.795 -2.685 436 HB2 GLU 23 HB2 GLU 23 7.251 8.756 -2.034 437 HB3 GLU 23 HB3 GLU 23 7.885 7.210 -1.445 438 HG2 GLU 23 HG2 GLU 23 8.608 6.648 -3.730 439 HG3 GLU 23 HG3 GLU 23 8.004 8.212 -4.279 440 H ARG 24 H ARG 24 5.692 8.151 -4.745 441 HA ARG 24 HA ARG 24 6.264 5.834 -6.408 442 HB2 ARG 24 HB2 ARG 24 4.333 7.114 -7.031 443 HB3 ARG 24 HB3 ARG 24 5.278 8.600 -7.094 444 HG2 ARG 24 HG2 ARG 24 6.716 7.368 -8.768 445 HG3 ARG 24 HG3 ARG 24 5.362 6.235 -8.876 446 HD2 ARG 24 HD2 ARG 24 4.274 8.815 -9.028 447 HD3 ARG 24 HD3 ARG 24 5.681 8.819 -10.086 448 HE ARG 24 HE ARG 24 4.677 7.242 -11.450 449 HH11 ARG 24 HH11 ARG 24 2.616 8.013 -8.719 450 HH12 ARG 24 HH12 ARG 24 1.209 7.296 -9.426 451 HH21 ARG 24 HH21 ARG 24 2.816 6.297 -12.367 452 HH22 ARG 24 HH22 ARG 24 1.321 6.320 -11.492 453 HA PRO 25 HA PRO 25 10.466 7.138 -5.877 454 HB2 PRO 25 HB2 PRO 25 10.894 5.002 -7.722 455 HB3 PRO 25 HB3 PRO 25 11.533 5.244 -6.124 456 HG2 PRO 25 HG2 PRO 25 9.693 3.402 -6.606 457 HG3 PRO 25 HG3 PRO 25 9.695 4.308 -5.138 458 HD2 PRO 25 HD2 PRO 25 7.896 4.642 -7.484 459 HD3 PRO 25 HD3 PRO 25 7.589 4.789 -5.735 460 H SER 26 H SER 26 12.187 7.786 -7.061 461 HA SER 26 HA SER 26 12.156 9.797 -8.611 462 HB2 SER 26 HB2 SER 26 14.203 8.749 -8.053 463 HB3 SER 26 HB3 SER 26 13.853 7.440 -9.188 464 HG SER 26 HG SER 26 15.005 8.666 -10.483 465 H ASP 27 H ASP 27 11.673 6.720 -9.895 466 HA ASP 27 HA ASP 27 10.555 5.959 -11.702 467 HB2 ASP 27 HB2 ASP 27 8.706 7.062 -11.652 468 HB3 ASP 27 HB3 ASP 27 9.531 8.482 -11.008 Start of MODEL 14 1 H1 LYS 1 H1 LYS 1 7.939 6.354 -16.771 2 H2 LYS 1 H2 LYS 1 7.064 7.423 -15.754 3 H3 LYS 1 H3 LYS 1 6.320 6.769 -17.155 4 HA LYS 1 HA LYS 1 5.600 5.735 -15.094 5 HB2 LYS 1 HB2 LYS 1 5.832 3.449 -15.962 6 HB3 LYS 1 HB3 LYS 1 5.469 4.588 -17.249 7 HG2 LYS 1 HG2 LYS 1 8.330 4.159 -16.839 8 HG3 LYS 1 HG3 LYS 1 7.445 2.705 -17.302 9 HD2 LYS 1 HD2 LYS 1 6.746 3.631 -19.327 10 HD3 LYS 1 HD3 LYS 1 7.052 5.280 -18.786 11 HE2 LYS 1 HE2 LYS 1 8.783 4.849 -20.261 12 HE3 LYS 1 HE3 LYS 1 9.506 4.589 -18.676 13 HZ1 LYS 1 HZ1 LYS 1 10.193 2.795 -20.001 14 HZ2 LYS 1 HZ2 LYS 1 8.649 2.551 -20.645 15 HZ3 LYS 1 HZ3 LYS 1 8.961 2.163 -19.029 16 H LEU 2 H LEU 2 6.170 3.842 -13.634 17 HA LEU 2 HA LEU 2 8.156 4.470 -11.832 18 HB2 LEU 2 HB2 LEU 2 6.780 1.929 -12.517 19 HB3 LEU 2 HB3 LEU 2 7.988 2.025 -11.267 20 HG LEU 2 HG LEU 2 5.414 3.562 -11.291 21 HD11 LEU 2 HD11 LEU 2 4.592 1.628 -10.618 22 HD12 LEU 2 HD12 LEU 2 5.560 1.812 -9.140 23 HD13 LEU 2 HD13 LEU 2 6.197 0.910 -10.519 24 HD21 LEU 2 HD21 LEU 2 6.565 3.365 -8.738 25 HD22 LEU 2 HD22 LEU 2 6.342 4.827 -9.718 26 HD23 LEU 2 HD23 LEU 2 7.851 3.911 -9.820 27 HA PRO 3 HA PRO 3 12.047 2.838 -13.241 28 HB2 PRO 3 HB2 PRO 3 12.596 2.273 -10.478 29 HB3 PRO 3 HB3 PRO 3 13.378 3.426 -11.554 30 HG2 PRO 3 HG2 PRO 3 11.811 4.259 -9.556 31 HG3 PRO 3 HG3 PRO 3 11.848 5.075 -11.101 32 HD2 PRO 3 HD2 PRO 3 9.793 3.149 -10.074 33 HD3 PRO 3 HD3 PRO 3 9.599 4.703 -10.881 34 HA PRO 4 HA PRO 4 11.809 -1.498 -13.445 35 HB2 PRO 4 HB2 PRO 4 14.568 -1.286 -12.540 36 HB3 PRO 4 HB3 PRO 4 13.869 -2.278 -13.786 37 HG2 PRO 4 HG2 PRO 4 15.013 -0.191 -14.622 38 HG3 PRO 4 HG3 PRO 4 13.335 -0.388 -15.094 39 HD2 PRO 4 HD2 PRO 4 14.377 1.190 -12.873 40 HD3 PRO 4 HD3 PRO 4 13.329 1.677 -14.175 41 H GLY 5 H GLY 5 11.283 -3.110 -12.312 42 HA2 GLY 5 HA2 GLY 5 10.927 -4.468 -10.506 43 HA3 GLY 5 HA3 GLY 5 12.175 -3.560 -9.692 44 H TRP 6 H TRP 6 10.353 -1.023 -10.346 45 HA TRP 6 HA TRP 6 9.030 -1.106 -7.804 46 HB2 TRP 6 HB2 TRP 6 9.507 0.932 -9.858 47 HB3 TRP 6 HB3 TRP 6 8.150 1.207 -8.821 48 HD1 TRP 6 HD1 TRP 6 11.330 2.291 -9.247 49 HE1 TRP 6 HE1 TRP 6 12.550 3.022 -7.154 50 HE3 TRP 6 HE3 TRP 6 8.272 0.234 -5.926 51 HZ2 TRP 6 HZ2 TRP 6 12.172 2.760 -4.349 52 HZ3 TRP 6 HZ3 TRP 6 8.728 0.505 -3.568 53 HH2 TRP 6 HH2 TRP 6 10.557 1.728 -2.792 54 H GLU 7 H GLU 7 6.895 -1.122 -7.400 55 HA GLU 7 HA GLU 7 4.983 -0.923 -9.554 56 HB2 GLU 7 HB2 GLU 7 5.116 -3.403 -7.803 57 HB3 GLU 7 HB3 GLU 7 3.797 -3.017 -8.896 58 HG2 GLU 7 HG2 GLU 7 6.608 -3.301 -9.891 59 HG3 GLU 7 HG3 GLU 7 5.567 -4.701 -9.655 60 H LYS 8 H LYS 8 3.380 0.326 -8.869 61 HA LYS 8 HA LYS 8 3.299 1.127 -6.130 62 HB2 LYS 8 HB2 LYS 8 2.653 2.581 -8.231 63 HB3 LYS 8 HB3 LYS 8 1.123 1.690 -8.208 64 HG2 LYS 8 HG2 LYS 8 0.732 2.468 -5.881 65 HG3 LYS 8 HG3 LYS 8 2.189 3.451 -6.003 66 HD2 LYS 8 HD2 LYS 8 0.840 5.064 -6.770 67 HD3 LYS 8 HD3 LYS 8 0.804 4.142 -8.274 68 HE2 LYS 8 HE2 LYS 8 -1.167 2.896 -7.358 69 HE3 LYS 8 HE3 LYS 8 -1.178 4.028 -6.007 70 HZ1 LYS 8 HZ1 LYS 8 -1.403 4.851 -8.850 71 HZ2 LYS 8 HZ2 LYS 8 -1.619 5.826 -7.485 72 HZ3 LYS 8 HZ3 LYS 8 -2.732 4.601 -7.833 73 H ARG 9 H ARG 9 2.420 -0.097 -4.606 74 HA ARG 9 HA ARG 9 0.060 -1.758 -5.231 75 HB2 ARG 9 HB2 ARG 9 2.462 -2.687 -4.393 76 HB3 ARG 9 HB3 ARG 9 1.677 -2.421 -2.842 77 HG2 ARG 9 HG2 ARG 9 1.210 -4.643 -3.373 78 HG3 ARG 9 HG3 ARG 9 -0.269 -3.770 -3.778 79 HD2 ARG 9 HD2 ARG 9 0.379 -5.408 -5.517 80 HD3 ARG 9 HD3 ARG 9 0.353 -3.767 -6.128 81 HE ARG 9 HE ARG 9 2.566 -3.877 -6.457 82 HH11 ARG 9 HH11 ARG 9 1.639 -6.602 -4.443 83 HH12 ARG 9 HH12 ARG 9 3.063 -7.503 -4.842 84 HH21 ARG 9 HH21 ARG 9 4.247 -5.026 -6.993 85 HH22 ARG 9 HH22 ARG 9 4.606 -6.581 -6.320 86 H CYS 10 H CYS 10 -1.534 -2.035 -3.490 87 HA CYS 10 HA CYS 10 -1.380 -0.014 -1.375 88 HB2 CYS 10 HB2 CYS 10 -3.867 -0.265 -3.071 89 HB3 CYS 10 HB3 CYS 10 -3.536 0.922 -1.820 90 H PHE 11 H PHE 11 -2.055 -0.644 0.518 91 HA PHE 11 HA PHE 11 -3.946 -2.876 0.700 92 HB2 PHE 11 HB2 PHE 11 -2.744 -3.919 2.519 93 HB3 PHE 11 HB3 PHE 11 -1.602 -3.673 1.194 94 HD1 PHE 11 HD1 PHE 11 -2.719 -2.432 4.476 95 HD2 PHE 11 HD2 PHE 11 0.315 -2.299 1.496 96 HE1 PHE 11 HE1 PHE 11 -1.223 -1.265 6.049 97 HE2 PHE 11 HE2 PHE 11 1.810 -1.124 3.060 98 HZ PHE 11 HZ PHE 11 1.040 -0.607 5.340 99 H TYR 12 H TYR 12 -5.538 -2.565 2.185 100 HA TYR 12 HA TYR 12 -5.769 0.011 3.461 101 HB2 TYR 12 HB2 TYR 12 -7.537 -2.373 3.112 102 HB3 TYR 12 HB3 TYR 12 -7.839 -1.366 4.523 103 HD1 TYR 12 HD2 TYR 12 -7.789 -1.412 0.832 104 HD2 TYR 12 HD1 TYR 12 -8.694 0.890 4.273 105 HE1 TYR 12 HE2 TYR 12 -8.957 0.178 -0.553 106 HE2 TYR 12 HE1 TYR 12 -9.897 2.457 2.950 107 HH TYR 12 HH TYR 12 -9.609 3.135 0.196 108 H PHE 13 H PHE 13 -5.606 0.358 5.724 109 HA PHE 13 HA PHE 13 -4.691 -2.015 7.253 110 HB2 PHE 13 HB2 PHE 13 -2.855 -0.301 6.726 111 HB3 PHE 13 HB3 PHE 13 -3.691 0.767 7.859 112 HD1 PHE 13 HD1 PHE 13 -2.110 -2.535 7.531 113 HD2 PHE 13 HD2 PHE 13 -3.425 0.472 10.208 114 HE1 PHE 13 HE1 PHE 13 -0.955 -3.669 9.354 115 HE2 PHE 13 HE2 PHE 13 -2.261 -0.613 12.053 116 HZ PHE 13 HZ PHE 13 -1.009 -2.710 11.636 117 H ASN 14 H ASN 14 -6.030 -2.506 8.733 118 HA ASN 14 HA ASN 14 -7.909 -0.527 9.658 119 HB2 ASN 14 HB2 ASN 14 -8.645 -2.851 9.018 120 HB3 ASN 14 HB3 ASN 14 -7.835 -3.437 10.406 121 HD21 ASN 14 HD21 ASN 14 -9.749 -0.549 10.047 122 HD22 ASN 14 HD22 ASN 14 -10.940 -0.960 11.222 123 H ARG 15 H ARG 15 -6.094 0.611 10.722 124 HA ARG 15 HA ARG 15 -4.411 -0.372 12.585 125 HB2 ARG 15 HB2 ARG 15 -3.819 1.739 12.394 126 HB3 ARG 15 HB3 ARG 15 -5.451 2.281 12.017 127 HG2 ARG 15 HG2 ARG 15 -5.992 2.596 14.264 128 HG3 ARG 15 HG3 ARG 15 -4.621 1.635 14.821 129 HD2 ARG 15 HD2 ARG 15 -4.388 4.268 13.359 130 HD3 ARG 15 HD3 ARG 15 -4.309 4.094 15.110 131 HE ARG 15 HE ARG 15 -2.203 3.121 14.911 132 HH11 ARG 15 HH11 ARG 15 -3.536 3.833 11.744 133 HH12 ARG 15 HH12 ARG 15 -2.021 3.633 10.932 134 HH21 ARG 15 HH21 ARG 15 -0.217 2.862 13.828 135 HH22 ARG 15 HH22 ARG 15 -0.139 3.083 12.112 136 H ILE 16 H ILE 16 -7.874 -0.315 13.059 137 HA ILE 16 HA ILE 16 -7.940 -0.238 15.823 138 HB ILE 16 HB ILE 16 -9.655 -1.518 13.772 139 HG12 ILE 16 HG12 ILE 16 -10.393 0.566 13.584 140 HG13 ILE 16 HG13 ILE 16 -11.026 0.395 15.180 141 HG21 ILE 16 HG21 ILE 16 -9.705 -2.813 15.745 142 HG22 ILE 16 HG22 ILE 16 -11.199 -1.845 15.683 143 HG23 ILE 16 HG23 ILE 16 -9.859 -1.358 16.735 144 HD11 ILE 16 HD11 ILE 16 -8.252 1.353 14.866 145 HD12 ILE 16 HD12 ILE 16 -9.441 1.729 16.112 146 HD13 ILE 16 HD13 ILE 16 -9.588 2.457 14.503 147 H THR 17 H THR 17 -7.839 -2.704 13.414 148 HA THR 17 HA THR 17 -7.030 -4.693 15.290 149 HB THR 17 HB THR 17 -8.076 -6.289 13.962 150 HG1 THR 17 HG1 THR 17 -7.239 -5.319 11.962 151 HG21 THR 17 HG21 THR 17 -9.727 -3.785 13.794 152 HG22 THR 17 HG22 THR 17 -9.482 -4.760 15.250 153 HG23 THR 17 HG23 THR 17 -10.309 -5.469 13.855 154 H GLY 18 H GLY 18 -5.552 -2.580 13.828 155 HA2 GLY 18 HA2 GLY 18 -3.813 -2.268 12.372 156 HA3 GLY 18 HA3 GLY 18 -3.038 -3.445 13.377 157 H LYS 19 H LYS 19 -5.823 -4.161 11.504 158 HA LYS 19 HA LYS 19 -4.695 -6.326 10.123 159 HB2 LYS 19 HB2 LYS 19 -7.264 -4.991 10.307 160 HB3 LYS 19 HB3 LYS 19 -6.934 -5.814 8.785 161 HG2 LYS 19 HG2 LYS 19 -6.380 -7.817 10.065 162 HG3 LYS 19 HG3 LYS 19 -6.923 -6.968 11.535 163 HD2 LYS 19 HD2 LYS 19 -9.097 -7.258 11.015 164 HD3 LYS 19 HD3 LYS 19 -8.835 -6.905 9.307 165 HE2 LYS 19 HE2 LYS 19 -7.600 -9.387 9.834 166 HE3 LYS 19 HE3 LYS 19 -9.189 -9.435 10.595 167 HZ1 LYS 19 HZ1 LYS 19 -10.222 -8.923 8.527 168 HZ2 LYS 19 HZ2 LYS 19 -9.153 -10.204 8.253 169 HZ3 LYS 19 HZ3 LYS 19 -8.735 -8.637 7.772 170 H ARG 20 H ARG 20 -4.683 -6.659 7.862 171 HA ARG 20 HA ARG 20 -4.555 -4.306 6.210 172 HB2 ARG 20 HB2 ARG 20 -2.467 -4.732 5.245 173 HB3 ARG 20 HB3 ARG 20 -2.269 -4.855 7.019 174 HG2 ARG 20 HG2 ARG 20 -2.708 -7.287 5.327 175 HG3 ARG 20 HG3 ARG 20 -1.102 -6.594 5.544 176 HD2 ARG 20 HD2 ARG 20 -0.935 -7.765 7.426 177 HD3 ARG 20 HD3 ARG 20 -2.182 -6.725 8.111 178 HE ARG 20 HE ARG 20 -3.636 -8.477 7.999 179 HH11 ARG 20 HH11 ARG 20 -0.958 -9.158 5.846 180 HH12 ARG 20 HH12 ARG 20 -1.514 -10.751 5.462 181 HH21 ARG 20 HH21 ARG 20 -4.362 -10.576 7.489 182 HH22 ARG 20 HH22 ARG 20 -3.446 -11.557 6.394 183 H GLN 21 H GLN 21 -5.206 -4.503 4.236 184 HA GLN 21 HA GLN 21 -5.437 -7.055 2.929 185 HB2 GLN 21 HB2 GLN 21 -7.937 -5.892 2.612 186 HB3 GLN 21 HB3 GLN 21 -7.574 -7.424 3.337 187 HG2 GLN 21 HG2 GLN 21 -7.164 -6.110 5.448 188 HG3 GLN 21 HG3 GLN 21 -7.874 -4.762 4.614 189 HE21 GLN 21 HE21 GLN 21 -10.019 -5.478 3.474 190 HE22 GLN 21 HE22 GLN 21 -11.099 -6.308 4.510 191 H PHE 22 H PHE 22 -5.620 -6.753 0.638 192 HA PHE 22 HA PHE 22 -4.989 -4.055 -0.249 193 HB2 PHE 22 HB2 PHE 22 -5.278 -6.717 -1.625 194 HB3 PHE 22 HB3 PHE 22 -5.174 -5.237 -2.562 195 HD1 PHE 22 HD1 PHE 22 -3.317 -5.628 0.578 196 HD2 PHE 22 HD2 PHE 22 -3.127 -5.912 -3.652 197 HE1 PHE 22 HE1 PHE 22 -0.881 -5.726 0.699 198 HE2 PHE 22 HE2 PHE 22 -0.690 -6.011 -3.539 199 HZ PHE 22 HZ PHE 22 0.417 -5.918 -1.362 200 H GLU 23 H GLU 23 -7.493 -4.283 0.985 201 HA GLU 23 HA GLU 23 -9.403 -3.537 -1.084 202 HB2 GLU 23 HB2 GLU 23 -10.433 -5.497 -0.810 203 HB3 GLU 23 HB3 GLU 23 -9.338 -5.933 0.511 204 HG2 GLU 23 HG2 GLU 23 -10.752 -4.614 2.059 205 HG3 GLU 23 HG3 GLU 23 -11.876 -4.338 0.729 206 H ARG 24 H ARG 24 -11.207 -2.491 -0.374 207 HA ARG 24 HA ARG 24 -10.986 -1.133 2.215 208 HB2 ARG 24 HB2 ARG 24 -11.294 0.347 0.320 209 HB3 ARG 24 HB3 ARG 24 -12.703 -0.556 -0.209 210 HG2 ARG 24 HG2 ARG 24 -13.914 0.079 1.706 211 HG3 ARG 24 HG3 ARG 24 -12.493 0.849 2.416 212 HD2 ARG 24 HD2 ARG 24 -13.341 1.712 -0.267 213 HD3 ARG 24 HD3 ARG 24 -14.327 2.251 1.095 214 HE ARG 24 HE ARG 24 -11.580 2.965 0.493 215 HH11 ARG 24 HH11 ARG 24 -14.179 3.271 2.778 216 HH12 ARG 24 HH12 ARG 24 -13.549 4.703 3.496 217 HH21 ARG 24 HH21 ARG 24 -10.733 4.833 1.443 218 HH22 ARG 24 HH22 ARG 24 -11.589 5.589 2.746 219 HA PRO 25 HA PRO 25 -13.374 -4.747 3.329 220 HB2 PRO 25 HB2 PRO 25 -13.200 -3.730 5.950 221 HB3 PRO 25 HB3 PRO 25 -12.468 -5.161 5.257 222 HG2 PRO 25 HG2 PRO 25 -11.115 -2.919 5.963 223 HG3 PRO 25 HG3 PRO 25 -10.518 -4.081 4.870 224 HD2 PRO 25 HD2 PRO 25 -11.503 -1.406 4.282 225 HD3 PRO 25 HD3 PRO 25 -10.446 -2.493 3.378 226 H SER 26 H SER 26 -15.283 -5.272 4.159 227 HA SER 26 HA SER 26 -17.333 -3.498 3.707 228 HB2 SER 26 HB2 SER 26 -18.827 -5.094 4.534 229 HB3 SER 26 HB3 SER 26 -17.543 -5.979 3.695 230 HG SER 26 HG SER 26 -18.036 -6.934 5.717 231 H ASP 27 H ASP 27 -18.787 -2.714 4.951 232 HA ASP 27 HA ASP 27 -17.803 -1.453 7.307 233 HB2 ASP 27 HB2 ASP 27 -18.738 0.294 6.438 234 HB3 ASP 27 HB3 ASP 27 -19.200 -0.708 5.059 235 H1 LYS 1 H1 LYS 1 -18.649 2.574 1.186 236 H2 LYS 1 H2 LYS 1 -18.935 2.149 2.824 237 H3 LYS 1 H3 LYS 1 -18.474 0.946 1.692 238 HA LYS 1 HA LYS 1 -16.348 1.809 1.473 239 HB2 LYS 1 HB2 LYS 1 -15.669 3.866 2.574 240 HB3 LYS 1 HB3 LYS 1 -16.987 4.162 1.458 241 HG2 LYS 1 HG2 LYS 1 -18.255 3.686 3.864 242 HG3 LYS 1 HG3 LYS 1 -16.820 4.610 4.313 243 HD2 LYS 1 HD2 LYS 1 -17.683 6.489 3.480 244 HD3 LYS 1 HD3 LYS 1 -18.058 5.704 1.947 245 HE2 LYS 1 HE2 LYS 1 -19.745 5.548 4.434 246 HE3 LYS 1 HE3 LYS 1 -20.034 6.640 3.084 247 HZ1 LYS 1 HZ1 LYS 1 -19.985 4.410 1.740 248 HZ2 LYS 1 HZ2 LYS 1 -21.395 4.914 2.527 249 HZ3 LYS 1 HZ3 LYS 1 -20.408 3.738 3.235 250 H LEU 2 H LEU 2 -14.586 1.562 3.059 251 HA LEU 2 HA LEU 2 -15.324 -0.250 5.014 252 HB2 LEU 2 HB2 LEU 2 -13.214 -0.884 5.221 253 HB3 LEU 2 HB3 LEU 2 -13.162 -0.126 3.651 254 HG LEU 2 HG LEU 2 -12.013 0.777 6.218 255 HD11 LEU 2 HD11 LEU 2 -11.137 0.302 3.431 256 HD12 LEU 2 HD12 LEU 2 -10.433 -0.323 4.920 257 HD13 LEU 2 HD13 LEU 2 -10.194 1.386 4.465 258 HD21 LEU 2 HD21 LEU 2 -13.481 2.440 4.912 259 HD22 LEU 2 HD22 LEU 2 -11.955 2.586 3.946 260 HD23 LEU 2 HD23 LEU 2 -11.979 2.913 5.690 261 HA PRO 3 HA PRO 3 -15.876 1.337 9.001 262 HB2 PRO 3 HB2 PRO 3 -13.961 -0.605 9.924 263 HB3 PRO 3 HB3 PRO 3 -15.699 -0.516 10.201 264 HG2 PRO 3 HG2 PRO 3 -14.619 -2.357 8.594 265 HG3 PRO 3 HG3 PRO 3 -16.192 -1.637 8.261 266 HD2 PRO 3 HD2 PRO 3 -13.547 -1.025 7.021 267 HD3 PRO 3 HD3 PRO 3 -15.117 -1.214 6.297 268 HA PRO 4 HA PRO 4 -12.933 3.873 11.048 269 HB2 PRO 4 HB2 PRO 4 -13.619 2.170 13.303 270 HB3 PRO 4 HB3 PRO 4 -13.556 3.902 13.196 271 HG2 PRO 4 HG2 PRO 4 -15.871 2.936 13.106 272 HG3 PRO 4 HG3 PRO 4 -15.413 3.954 11.751 273 HD2 PRO 4 HD2 PRO 4 -15.282 1.042 11.884 274 HD3 PRO 4 HD3 PRO 4 -16.142 2.049 10.756 275 H GLY 5 H GLY 5 -10.960 3.947 11.963 276 HA2 GLY 5 HA2 GLY 5 -8.856 3.197 12.533 277 HA3 GLY 5 HA3 GLY 5 -9.554 1.598 12.609 278 H TRP 6 H TRP 6 -10.597 1.814 9.820 279 HA TRP 6 HA TRP 6 -8.358 0.724 8.476 280 HB2 TRP 6 HB2 TRP 6 -11.190 1.187 7.904 281 HB3 TRP 6 HB3 TRP 6 -10.170 1.082 6.533 282 HD1 TRP 6 HD1 TRP 6 -12.435 -0.754 8.214 283 HE1 TRP 6 HE1 TRP 6 -12.047 -3.278 8.259 284 HE3 TRP 6 HE3 TRP 6 -7.756 -0.744 6.585 285 HZ2 TRP 6 HZ2 TRP 6 -9.897 -5.050 7.592 286 HZ3 TRP 6 HZ3 TRP 6 -6.588 -2.837 6.271 287 HH2 TRP 6 HH2 TRP 6 -7.591 -4.903 6.704 288 H GLU 7 H GLU 7 -7.063 1.681 7.006 289 HA GLU 7 HA GLU 7 -7.913 4.166 5.791 290 HB2 GLU 7 HB2 GLU 7 -5.241 4.016 7.189 291 HB3 GLU 7 HB3 GLU 7 -5.882 5.369 6.272 292 HG2 GLU 7 HG2 GLU 7 -7.437 4.406 8.614 293 HG3 GLU 7 HG3 GLU 7 -5.954 5.310 8.907 294 H LYS 8 H LYS 8 -7.824 3.629 3.786 295 HA LYS 8 HA LYS 8 -6.395 1.613 2.579 296 HB2 LYS 8 HB2 LYS 8 -8.211 3.172 1.486 297 HB3 LYS 8 HB3 LYS 8 -6.903 4.326 1.216 298 HG2 LYS 8 HG2 LYS 8 -5.687 2.602 -0.102 299 HG3 LYS 8 HG3 LYS 8 -7.088 1.548 0.057 300 HD2 LYS 8 HD2 LYS 8 -8.191 3.905 -0.843 301 HD3 LYS 8 HD3 LYS 8 -6.650 3.834 -1.700 302 HE2 LYS 8 HE2 LYS 8 -7.423 1.318 -2.076 303 HE3 LYS 8 HE3 LYS 8 -9.015 2.049 -1.879 304 HZ1 LYS 8 HZ1 LYS 8 -6.955 2.884 -3.850 305 HZ2 LYS 8 HZ2 LYS 8 -8.476 3.600 -3.658 306 HZ3 LYS 8 HZ3 LYS 8 -8.357 2.001 -4.195 307 H ARG 9 H ARG 9 -4.221 1.377 1.967 308 HA ARG 9 HA ARG 9 -2.479 3.763 2.087 309 HB2 ARG 9 HB2 ARG 9 -1.646 0.986 2.948 310 HB3 ARG 9 HB3 ARG 9 -0.704 2.462 3.078 311 HG2 ARG 9 HG2 ARG 9 -3.252 1.887 4.572 312 HG3 ARG 9 HG3 ARG 9 -1.623 1.748 5.229 313 HD2 ARG 9 HD2 ARG 9 -3.056 4.244 4.360 314 HD3 ARG 9 HD3 ARG 9 -2.434 3.854 5.948 315 HE ARG 9 HE ARG 9 -1.023 4.906 3.719 316 HH11 ARG 9 HH11 ARG 9 -0.680 3.172 6.756 317 HH12 ARG 9 HH12 ARG 9 0.835 3.924 7.123 318 HH21 ARG 9 HH21 ARG 9 0.777 5.876 4.232 319 HH22 ARG 9 HH22 ARG 9 1.706 5.494 5.643 320 H CYS 10 H CYS 10 -0.604 3.737 0.689 321 HA CYS 10 HA CYS 10 -0.584 1.631 -1.353 322 HB2 CYS 10 HB2 CYS 10 -0.572 4.559 -2.079 323 HB3 CYS 10 HB3 CYS 10 -0.441 3.207 -3.188 324 H PHE 11 H PHE 11 1.354 0.773 -0.821 325 HA PHE 11 HA PHE 11 3.655 2.588 -0.701 326 HB2 PHE 11 HB2 PHE 11 4.898 0.864 0.441 327 HB3 PHE 11 HB3 PHE 11 3.306 0.956 1.203 328 HD1 PHE 11 HD1 PHE 11 5.467 -0.970 -1.067 329 HD2 PHE 11 HD2 PHE 11 1.811 -0.918 1.136 330 HE1 PHE 11 HE1 PHE 11 5.209 -3.404 -1.431 331 HE2 PHE 11 HE2 PHE 11 1.545 -3.345 0.765 332 HZ PHE 11 HZ PHE 11 3.246 -4.589 -0.520 333 H TYR 12 H TYR 12 5.247 2.489 -2.209 334 HA TYR 12 HA TYR 12 4.814 0.929 -4.608 335 HB2 TYR 12 HB2 TYR 12 6.672 3.136 -3.791 336 HB3 TYR 12 HB3 TYR 12 7.226 2.051 -5.063 337 HD1 TYR 12 HD1 TYR 12 6.012 1.940 -7.235 338 HD2 TYR 12 HD2 TYR 12 4.786 4.656 -4.177 339 HE1 TYR 12 HE1 TYR 12 4.643 3.095 -8.792 340 HE2 TYR 12 HE2 TYR 12 3.412 5.848 -5.749 341 HH TYR 12 HH TYR 12 2.756 4.599 -8.931 342 H PHE 13 H PHE 13 6.102 -0.873 -5.192 343 HA PHE 13 HA PHE 13 8.106 -1.670 -3.145 344 HB2 PHE 13 HB2 PHE 13 5.958 -3.095 -3.263 345 HB3 PHE 13 HB3 PHE 13 6.603 -3.695 -4.793 346 HD1 PHE 13 HD1 PHE 13 7.225 -3.439 -1.184 347 HD2 PHE 13 HD2 PHE 13 8.446 -5.258 -4.827 348 HE1 PHE 13 HE1 PHE 13 8.584 -5.040 0.075 349 HE2 PHE 13 HE2 PHE 13 9.771 -6.901 -3.601 350 HZ PHE 13 HZ PHE 13 9.863 -6.795 -1.121 351 H ASN 14 H ASN 14 10.026 -1.635 -3.895 352 HA ASN 14 HA ASN 14 10.422 -1.730 -6.749 353 HB2 ASN 14 HB2 ASN 14 11.500 0.057 -5.315 354 HB3 ASN 14 HB3 ASN 14 12.520 -1.157 -4.660 355 HD21 ASN 14 HD21 ASN 14 11.444 -0.714 -7.942 356 HD22 ASN 14 HD22 ASN 14 13.009 -0.522 -8.634 357 H ARG 15 H ARG 15 9.769 -4.040 -6.562 358 HA ARG 15 HA ARG 15 10.888 -6.023 -5.175 359 HB2 ARG 15 HB2 ARG 15 9.370 -7.041 -6.398 360 HB3 ARG 15 HB3 ARG 15 9.521 -5.896 -7.727 361 HG2 ARG 15 HG2 ARG 15 11.449 -7.128 -8.572 362 HG3 ARG 15 HG3 ARG 15 11.287 -8.282 -7.246 363 HD2 ARG 15 HD2 ARG 15 9.240 -7.737 -9.402 364 HD3 ARG 15 HD3 ARG 15 10.269 -9.163 -9.285 365 HE ARG 15 HE ARG 15 8.962 -9.949 -7.524 366 HH11 ARG 15 HH11 ARG 15 7.817 -6.819 -8.618 367 HH12 ARG 15 HH12 ARG 15 6.306 -6.949 -7.786 368 HH21 ARG 15 HH21 ARG 15 6.973 -10.105 -6.431 369 HH22 ARG 15 HH22 ARG 15 5.826 -8.812 -6.545 370 H ILE 16 H ILE 16 12.780 -4.210 -7.538 371 HA ILE 16 HA ILE 16 14.722 -6.132 -8.030 372 HB ILE 16 HB ILE 16 14.690 -3.170 -7.987 373 HG12 ILE 16 HG12 ILE 16 13.948 -3.444 -10.052 374 HG13 ILE 16 HG13 ILE 16 15.398 -4.296 -10.449 375 HG21 ILE 16 HG21 ILE 16 16.962 -3.386 -8.949 376 HG22 ILE 16 HG22 ILE 16 16.876 -5.109 -8.547 377 HG23 ILE 16 HG23 ILE 16 16.815 -3.902 -7.254 378 HD11 ILE 16 HD11 ILE 16 13.297 -5.898 -9.193 379 HD12 ILE 16 HD12 ILE 16 14.364 -6.280 -10.541 380 HD13 ILE 16 HD13 ILE 16 12.940 -5.265 -10.801 381 H THR 17 H THR 17 14.340 -3.506 -5.839 382 HA THR 17 HA THR 17 16.394 -4.457 -4.113 383 HB THR 17 HB THR 17 16.643 -2.271 -3.350 384 HG1 THR 17 HG1 THR 17 14.292 -1.943 -3.227 385 HG21 THR 17 HG21 THR 17 17.081 -1.087 -5.362 386 HG22 THR 17 HG22 THR 17 15.911 -2.093 -6.257 387 HG23 THR 17 HG23 THR 17 17.399 -2.807 -5.620 388 H GLY 18 H GLY 18 13.563 -5.298 -4.558 389 HA2 GLY 18 HA2 GLY 18 11.584 -5.603 -3.464 390 HA3 GLY 18 HA3 GLY 18 12.604 -6.362 -2.290 391 H LYS 19 H LYS 19 12.796 -3.025 -3.070 392 HA LYS 19 HA LYS 19 12.476 -2.114 -0.438 393 HB2 LYS 19 HB2 LYS 19 12.960 -0.975 -3.067 394 HB3 LYS 19 HB3 LYS 19 12.192 0.083 -1.888 395 HG2 LYS 19 HG2 LYS 19 13.996 -0.469 -0.332 396 HG3 LYS 19 HG3 LYS 19 14.807 -1.335 -1.663 397 HD2 LYS 19 HD2 LYS 19 15.522 0.581 -2.590 398 HD3 LYS 19 HD3 LYS 19 13.964 1.379 -2.360 399 HE2 LYS 19 HE2 LYS 19 14.520 2.127 -0.232 400 HE3 LYS 19 HE3 LYS 19 15.785 0.917 -0.031 401 HZ1 LYS 19 HZ1 LYS 19 16.188 3.502 -0.717 402 HZ2 LYS 19 HZ2 LYS 19 16.267 2.726 -2.218 403 HZ3 LYS 19 HZ3 LYS 19 17.295 2.246 -0.964 404 H ARG 20 H ARG 20 11.022 -0.554 0.303 405 HA ARG 20 HA ARG 20 8.507 -0.337 -1.070 406 HB2 ARG 20 HB2 ARG 20 7.144 -0.886 0.780 407 HB3 ARG 20 HB3 ARG 20 8.311 -2.209 0.510 408 HG2 ARG 20 HG2 ARG 20 8.826 -0.083 2.551 409 HG3 ARG 20 HG3 ARG 20 7.841 -1.496 2.922 410 HD2 ARG 20 HD2 ARG 20 10.693 -1.532 1.939 411 HD3 ARG 20 HD3 ARG 20 10.169 -1.826 3.593 412 HE ARG 20 HE ARG 20 9.864 -3.621 1.311 413 HH11 ARG 20 HH11 ARG 20 9.248 -2.997 4.705 414 HH12 ARG 20 HH12 ARG 20 8.898 -4.652 5.069 415 HH21 ARG 20 HH21 ARG 20 9.398 -5.798 1.802 416 HH22 ARG 20 HH22 ARG 20 8.982 -6.241 3.424 417 H GLN 21 H GLN 21 7.547 1.493 -0.897 418 HA GLN 21 HA GLN 21 8.159 3.345 1.217 419 HB2 GLN 21 HB2 GLN 21 8.420 4.854 -1.085 420 HB3 GLN 21 HB3 GLN 21 9.638 4.547 0.108 421 HG2 GLN 21 HG2 GLN 21 10.139 2.449 -1.177 422 HG3 GLN 21 HG3 GLN 21 9.066 3.052 -2.398 423 HE21 GLN 21 HE21 GLN 21 9.656 5.109 -3.401 424 HE22 GLN 21 HE22 GLN 21 11.321 5.494 -3.520 425 H PHE 22 H PHE 22 6.478 4.894 1.429 426 HA PHE 22 HA PHE 22 4.075 4.266 -0.095 427 HB2 PHE 22 HB2 PHE 22 4.700 6.173 2.153 428 HB3 PHE 22 HB3 PHE 22 3.167 6.250 1.299 429 HD1 PHE 22 HD2 PHE 22 1.914 3.912 1.101 430 HD2 PHE 22 HD1 PHE 22 4.816 4.867 4.065 431 HE1 PHE 22 HE2 PHE 22 1.020 2.140 2.538 432 HE2 PHE 22 HE1 PHE 22 3.928 3.097 5.510 433 HZ PHE 22 HZ PHE 22 2.034 1.746 4.735 434 H GLU 23 H GLU 23 6.184 5.161 -1.653 435 HA GLU 23 HA GLU 23 5.280 7.701 -2.756 436 HB2 GLU 23 HB2 GLU 23 7.175 8.630 -2.021 437 HB3 GLU 23 HB3 GLU 23 7.780 7.065 -1.452 438 HG2 GLU 23 HG2 GLU 23 8.579 6.553 -3.716 439 HG3 GLU 23 HG3 GLU 23 7.982 8.119 -4.264 440 H ARG 24 H ARG 24 5.692 8.094 -4.790 441 HA ARG 24 HA ARG 24 6.338 5.818 -6.492 442 HB2 ARG 24 HB2 ARG 24 4.387 7.119 -7.095 443 HB3 ARG 24 HB3 ARG 24 5.347 8.596 -7.149 444 HG2 ARG 24 HG2 ARG 24 6.778 7.346 -8.819 445 HG3 ARG 24 HG3 ARG 24 5.401 6.241 -8.940 446 HD2 ARG 24 HD2 ARG 24 4.323 8.804 -9.090 447 HD3 ARG 24 HD3 ARG 24 5.771 8.863 -10.089 448 HE ARG 24 HE ARG 24 4.850 7.315 -11.540 449 HH11 ARG 24 HH11 ARG 24 2.665 7.972 -8.878 450 HH12 ARG 24 HH12 ARG 24 1.304 7.240 -9.657 451 HH21 ARG 24 HH21 ARG 24 3.049 6.356 -12.557 452 HH22 ARG 24 HH22 ARG 24 1.521 6.322 -11.742 453 HA PRO 25 HA PRO 25 10.478 7.131 -5.687 454 HB2 PRO 25 HB2 PRO 25 11.008 5.202 -7.741 455 HB3 PRO 25 HB3 PRO 25 11.642 5.330 -6.128 456 HG2 PRO 25 HG2 PRO 25 9.841 3.488 -6.735 457 HG3 PRO 25 HG3 PRO 25 9.819 4.285 -5.207 458 HD2 PRO 25 HD2 PRO 25 7.990 4.706 -7.504 459 HD3 PRO 25 HD3 PRO 25 7.714 4.786 -5.747 460 H SER 26 H SER 26 12.042 8.191 -6.494 461 HA SER 26 HA SER 26 11.844 10.317 -7.922 462 HB2 SER 26 HB2 SER 26 13.891 9.736 -6.896 463 HB3 SER 26 HB3 SER 26 14.146 8.462 -8.096 464 HG SER 26 HG SER 26 15.269 10.038 -8.999 465 H ASP 27 H ASP 27 12.438 7.319 -9.334 466 HA ASP 27 HA ASP 27 12.032 6.489 -11.386 467 HB2 ASP 27 HB2 ASP 27 9.985 7.069 -11.703 468 HB3 ASP 27 HB3 ASP 27 10.253 8.623 -10.913 Start of MODEL 15 1 H1 LYS 1 H1 LYS 1 4.074 4.481 -16.136 2 H2 LYS 1 H2 LYS 1 5.510 3.541 -16.149 3 H3 LYS 1 H3 LYS 1 5.601 5.253 -16.231 4 HA LYS 1 HA LYS 1 4.796 5.486 -14.062 5 HB2 LYS 1 HB2 LYS 1 4.141 3.581 -12.714 6 HB3 LYS 1 HB3 LYS 1 3.203 3.597 -14.199 7 HG2 LYS 1 HG2 LYS 1 5.670 2.000 -14.297 8 HG3 LYS 1 HG3 LYS 1 4.430 1.416 -13.187 9 HD2 LYS 1 HD2 LYS 1 3.117 2.139 -15.580 10 HD3 LYS 1 HD3 LYS 1 4.539 1.205 -16.039 11 HE2 LYS 1 HE2 LYS 1 2.450 0.364 -14.042 12 HE3 LYS 1 HE3 LYS 1 2.562 -0.198 -15.707 13 HZ1 LYS 1 HZ1 LYS 1 3.579 -1.847 -14.417 14 HZ2 LYS 1 HZ2 LYS 1 4.429 -0.730 -13.474 15 HZ3 LYS 1 HZ3 LYS 1 4.871 -0.982 -15.087 16 H LEU 2 H LEU 2 5.955 4.630 -11.969 17 HA LEU 2 HA LEU 2 8.543 5.143 -12.035 18 HB2 LEU 2 HB2 LEU 2 8.734 4.375 -9.863 19 HB3 LEU 2 HB3 LEU 2 7.066 4.845 -10.057 20 HG LEU 2 HG LEU 2 8.187 2.098 -9.980 21 HD11 LEU 2 HD11 LEU 2 6.362 3.742 -8.333 22 HD12 LEU 2 HD12 LEU 2 7.717 2.740 -7.801 23 HD13 LEU 2 HD13 LEU 2 6.201 1.983 -8.358 24 HD21 LEU 2 HD21 LEU 2 6.610 2.441 -11.761 25 HD22 LEU 2 HD22 LEU 2 5.405 2.907 -10.508 26 HD23 LEU 2 HD23 LEU 2 6.087 1.280 -10.525 27 HA PRO 3 HA PRO 3 11.607 2.415 -13.409 28 HB2 PRO 3 HB2 PRO 3 12.364 1.973 -10.632 29 HB3 PRO 3 HB3 PRO 3 13.322 2.552 -11.988 30 HG2 PRO 3 HG2 PRO 3 12.401 4.206 -10.095 31 HG3 PRO 3 HG3 PRO 3 12.578 4.707 -11.773 32 HD2 PRO 3 HD2 PRO 3 10.132 4.084 -10.233 33 HD3 PRO 3 HD3 PRO 3 10.356 5.161 -11.586 34 HA PRO 4 HA PRO 4 10.921 -1.885 -13.352 35 HB2 PRO 4 HB2 PRO 4 13.800 -1.903 -12.935 36 HB3 PRO 4 HB3 PRO 4 12.830 -2.801 -14.063 37 HG2 PRO 4 HG2 PRO 4 14.030 -0.825 -15.048 38 HG3 PRO 4 HG3 PRO 4 12.289 -0.854 -15.264 39 HD2 PRO 4 HD2 PRO 4 13.786 0.561 -13.194 40 HD3 PRO 4 HD3 PRO 4 12.658 1.189 -14.363 41 H GLY 5 H GLY 5 10.781 -3.603 -12.112 42 HA2 GLY 5 HA2 GLY 5 10.853 -4.863 -10.187 43 HA3 GLY 5 HA3 GLY 5 12.043 -3.728 -9.597 44 H TRP 6 H TRP 6 10.118 -1.422 -10.111 45 HA TRP 6 HA TRP 6 8.955 -1.392 -7.536 46 HB2 TRP 6 HB2 TRP 6 9.013 0.443 -9.847 47 HB3 TRP 6 HB3 TRP 6 7.785 0.683 -8.673 48 HD1 TRP 6 HD1 TRP 6 10.789 1.975 -9.616 49 HE1 TRP 6 HE1 TRP 6 12.201 2.983 -7.738 50 HE3 TRP 6 HE3 TRP 6 8.224 0.196 -5.770 51 HZ2 TRP 6 HZ2 TRP 6 12.119 3.019 -4.888 52 HZ3 TRP 6 HZ3 TRP 6 8.874 0.751 -3.521 53 HH2 TRP 6 HH2 TRP 6 10.704 2.128 -3.073 54 H GLU 7 H GLU 7 6.797 -1.285 -7.017 55 HA GLU 7 HA GLU 7 4.773 -1.520 -8.987 56 HB2 GLU 7 HB2 GLU 7 3.811 -3.657 -8.077 57 HB3 GLU 7 HB3 GLU 7 5.223 -3.823 -9.104 58 HG2 GLU 7 HG2 GLU 7 6.605 -4.415 -7.322 59 HG3 GLU 7 HG3 GLU 7 5.496 -3.755 -6.121 60 H LYS 8 H LYS 8 3.591 -0.021 -8.224 61 HA LYS 8 HA LYS 8 3.344 0.893 -5.642 62 HB2 LYS 8 HB2 LYS 8 2.266 1.878 -7.854 63 HB3 LYS 8 HB3 LYS 8 0.930 0.764 -7.543 64 HG2 LYS 8 HG2 LYS 8 0.466 1.823 -5.412 65 HG3 LYS 8 HG3 LYS 8 1.845 2.905 -5.623 66 HD2 LYS 8 HD2 LYS 8 0.545 3.413 -7.909 67 HD3 LYS 8 HD3 LYS 8 -0.826 2.944 -6.903 68 HE2 LYS 8 HE2 LYS 8 0.387 4.588 -5.192 69 HE3 LYS 8 HE3 LYS 8 0.973 5.294 -6.697 70 HZ1 LYS 8 HZ1 LYS 8 -1.276 5.611 -7.427 71 HZ2 LYS 8 HZ2 LYS 8 -1.103 6.305 -5.894 72 HZ3 LYS 8 HZ3 LYS 8 -1.890 4.817 -6.064 73 H ARG 9 H ARG 9 2.412 0.038 -3.807 74 HA ARG 9 HA ARG 9 0.503 -2.193 -4.107 75 HB2 ARG 9 HB2 ARG 9 2.940 -2.706 -3.312 76 HB3 ARG 9 HB3 ARG 9 2.391 -2.041 -1.781 77 HG2 ARG 9 HG2 ARG 9 1.648 -4.065 -1.278 78 HG3 ARG 9 HG3 ARG 9 0.403 -3.838 -2.506 79 HD2 ARG 9 HD2 ARG 9 1.724 -5.944 -2.766 80 HD3 ARG 9 HD3 ARG 9 1.781 -4.898 -4.169 81 HE ARG 9 HE ARG 9 3.976 -4.673 -3.867 82 HH11 ARG 9 HH11 ARG 9 2.639 -5.863 -0.844 83 HH12 ARG 9 HH12 ARG 9 4.174 -6.430 -0.280 84 HH21 ARG 9 HH21 ARG 9 5.812 -5.458 -3.203 85 HH22 ARG 9 HH22 ARG 9 6.042 -6.180 -1.644 86 H CYS 10 H CYS 10 -1.432 -1.423 -3.493 87 HA CYS 10 HA CYS 10 -1.535 0.359 -1.154 88 HB2 CYS 10 HB2 CYS 10 -3.863 -0.005 -2.994 89 HB3 CYS 10 HB3 CYS 10 -3.434 1.376 -1.994 90 H PHE 11 H PHE 11 -1.823 -0.739 0.648 91 HA PHE 11 HA PHE 11 -3.888 -2.834 0.681 92 HB2 PHE 11 HB2 PHE 11 -2.756 -3.889 2.539 93 HB3 PHE 11 HB3 PHE 11 -1.564 -3.602 1.273 94 HD1 PHE 11 HD1 PHE 11 -2.849 -2.332 4.514 95 HD2 PHE 11 HD2 PHE 11 0.365 -2.334 1.716 96 HE1 PHE 11 HE1 PHE 11 -1.414 -1.201 6.158 97 HE2 PHE 11 HE2 PHE 11 1.793 -1.195 3.364 98 HZ PHE 11 HZ PHE 11 0.905 -0.627 5.583 99 H TYR 12 H TYR 12 -5.510 -2.725 2.229 100 HA TYR 12 HA TYR 12 -5.882 -0.149 3.517 101 HB2 TYR 12 HB2 TYR 12 -7.601 -2.554 3.035 102 HB3 TYR 12 HB3 TYR 12 -7.996 -1.542 4.422 103 HD1 TYR 12 HD1 TYR 12 -7.810 -1.679 0.757 104 HD2 TYR 12 HD2 TYR 12 -8.786 0.785 4.091 105 HE1 TYR 12 HE1 TYR 12 -8.856 -0.131 -0.731 106 HE2 TYR 12 HE2 TYR 12 -9.828 2.324 2.627 107 HH TYR 12 HH TYR 12 -10.667 2.653 0.489 108 H PHE 13 H PHE 13 -5.648 0.167 5.750 109 HA PHE 13 HA PHE 13 -4.797 -2.246 7.261 110 HB2 PHE 13 HB2 PHE 13 -3.056 -0.354 6.919 111 HB3 PHE 13 HB3 PHE 13 -4.027 0.550 8.084 112 HD1 PHE 13 HD1 PHE 13 -2.146 -2.570 7.592 113 HD2 PHE 13 HD2 PHE 13 -3.867 0.076 10.429 114 HE1 PHE 13 HE1 PHE 13 -0.997 -3.755 9.390 115 HE2 PHE 13 HE2 PHE 13 -2.704 -1.053 12.239 116 HZ PHE 13 HZ PHE 13 -1.256 -3.000 11.732 117 H ASN 14 H ASN 14 -6.117 -2.852 8.713 118 HA ASN 14 HA ASN 14 -8.163 -0.990 9.545 119 HB2 ASN 14 HB2 ASN 14 -8.593 -3.416 8.678 120 HB3 ASN 14 HB3 ASN 14 -8.171 -3.905 10.279 121 HD21 ASN 14 HD21 ASN 14 -10.566 -4.627 9.661 122 HD22 ASN 14 HD22 ASN 14 -11.784 -3.595 10.322 123 H ARG 15 H ARG 15 -6.441 0.086 10.838 124 HA ARG 15 HA ARG 15 -4.866 -0.954 12.737 125 HB2 ARG 15 HB2 ARG 15 -4.388 1.193 12.735 126 HB3 ARG 15 HB3 ARG 15 -6.033 1.678 12.331 127 HG2 ARG 15 HG2 ARG 15 -6.673 1.832 14.549 128 HG3 ARG 15 HG3 ARG 15 -5.348 0.809 15.107 129 HD2 ARG 15 HD2 ARG 15 -4.899 3.507 13.849 130 HD3 ARG 15 HD3 ARG 15 -5.130 3.297 15.585 131 HE ARG 15 HE ARG 15 -2.797 2.593 14.031 132 HH11 ARG 15 HH11 ARG 15 -4.512 2.130 17.051 133 HH12 ARG 15 HH12 ARG 15 -3.103 1.611 17.911 134 HH21 ARG 15 HH21 ARG 15 -0.948 1.904 15.171 135 HH22 ARG 15 HH22 ARG 15 -1.080 1.482 16.845 136 H ILE 16 H ILE 16 -8.364 -1.091 13.022 137 HA ILE 16 HA ILE 16 -8.526 -1.322 15.794 138 HB ILE 16 HB ILE 16 -10.147 -2.293 13.513 139 HG12 ILE 16 HG12 ILE 16 -11.028 -0.275 13.705 140 HG13 ILE 16 HG13 ILE 16 -11.550 -0.684 15.301 141 HG21 ILE 16 HG21 ILE 16 -10.222 -3.942 15.202 142 HG22 ILE 16 HG22 ILE 16 -11.737 -3.007 15.280 143 HG23 ILE 16 HG23 ILE 16 -10.436 -2.703 16.444 144 HD11 ILE 16 HD11 ILE 16 -10.135 1.471 14.769 145 HD12 ILE 16 HD12 ILE 16 -8.806 0.334 15.002 146 HD13 ILE 16 HD13 ILE 16 -9.976 0.594 16.294 147 H THR 17 H THR 17 -8.356 -3.481 13.122 148 HA THR 17 HA THR 17 -7.652 -5.737 14.699 149 HB THR 17 HB THR 17 -8.241 -7.043 12.856 150 HG1 THR 17 HG1 THR 17 -7.154 -5.756 11.264 151 HG21 THR 17 HG21 THR 17 -10.081 -4.679 12.780 152 HG22 THR 17 HG22 THR 17 -9.992 -5.823 14.126 153 HG23 THR 17 HG23 THR 17 -10.470 -6.399 12.523 154 H GLY 18 H GLY 18 -6.166 -3.221 13.656 155 HA2 GLY 18 HA2 GLY 18 -4.248 -2.676 12.529 156 HA3 GLY 18 HA3 GLY 18 -3.555 -3.654 13.782 157 H LYS 19 H LYS 19 -5.688 -4.753 11.255 158 HA LYS 19 HA LYS 19 -3.540 -6.406 10.203 159 HB2 LYS 19 HB2 LYS 19 -4.961 -8.106 9.953 160 HB3 LYS 19 HB3 LYS 19 -5.844 -7.254 11.244 161 HG2 LYS 19 HG2 LYS 19 -7.472 -6.573 9.842 162 HG3 LYS 19 HG3 LYS 19 -6.386 -6.512 8.446 163 HD2 LYS 19 HD2 LYS 19 -6.841 -9.199 9.544 164 HD3 LYS 19 HD3 LYS 19 -8.273 -8.434 8.853 165 HE2 LYS 19 HE2 LYS 19 -7.335 -8.298 6.734 166 HE3 LYS 19 HE3 LYS 19 -5.688 -8.431 7.348 167 HZ1 LYS 19 HZ1 LYS 19 -6.618 -10.444 6.184 168 HZ2 LYS 19 HZ2 LYS 19 -7.627 -10.663 7.523 169 HZ3 LYS 19 HZ3 LYS 19 -5.947 -10.722 7.712 170 H ARG 20 H ARG 20 -3.583 -6.890 7.932 171 HA ARG 20 HA ARG 20 -4.507 -4.575 6.402 172 HB2 ARG 20 HB2 ARG 20 -2.490 -4.559 5.143 173 HB3 ARG 20 HB3 ARG 20 -2.045 -4.723 6.859 174 HG2 ARG 20 HG2 ARG 20 -2.036 -7.270 6.314 175 HG3 ARG 20 HG3 ARG 20 -1.851 -6.711 4.651 176 HD2 ARG 20 HD2 ARG 20 0.327 -7.111 5.608 177 HD3 ARG 20 HD3 ARG 20 0.108 -5.381 5.353 178 HE ARG 20 HE ARG 20 0.224 -5.057 7.618 179 HH11 ARG 20 HH11 ARG 20 -0.215 -8.477 6.998 180 HH12 ARG 20 HH12 ARG 20 0.059 -8.934 8.645 181 HH21 ARG 20 HH21 ARG 20 0.582 -5.667 9.785 182 HH22 ARG 20 HH22 ARG 20 0.511 -7.340 10.227 183 H GLN 21 H GLN 21 -5.124 -4.745 4.351 184 HA GLN 21 HA GLN 21 -5.242 -7.340 3.078 185 HB2 GLN 21 HB2 GLN 21 -7.694 -6.187 2.556 186 HB3 GLN 21 HB3 GLN 21 -7.399 -7.667 3.406 187 HG2 GLN 21 HG2 GLN 21 -7.165 -6.256 5.459 188 HG3 GLN 21 HG3 GLN 21 -7.724 -4.925 4.496 189 HE21 GLN 21 HE21 GLN 21 -9.872 -5.152 3.528 190 HE22 GLN 21 HE22 GLN 21 -11.038 -6.075 4.379 191 H PHE 22 H PHE 22 -5.348 -7.114 0.769 192 HA PHE 22 HA PHE 22 -4.646 -4.442 -0.175 193 HB2 PHE 22 HB2 PHE 22 -4.882 -7.127 -1.537 194 HB3 PHE 22 HB3 PHE 22 -4.489 -5.650 -2.407 195 HD1 PHE 22 HD1 PHE 22 -2.526 -4.269 -1.024 196 HD2 PHE 22 HD2 PHE 22 -3.069 -8.477 -1.138 197 HE1 PHE 22 HE1 PHE 22 -0.167 -4.584 -0.473 198 HE2 PHE 22 HE2 PHE 22 -0.710 -8.800 -0.589 199 HZ PHE 22 HZ PHE 22 0.725 -6.849 -0.259 200 H GLU 23 H GLU 23 -7.188 -4.631 0.909 201 HA GLU 23 HA GLU 23 -8.961 -4.113 -1.344 202 HB2 GLU 23 HB2 GLU 23 -10.015 -6.029 -0.891 203 HB3 GLU 23 HB3 GLU 23 -9.041 -6.281 0.568 204 HG2 GLU 23 HG2 GLU 23 -10.545 -4.804 1.822 205 HG3 GLU 23 HG3 GLU 23 -11.517 -4.587 0.365 206 H ARG 24 H ARG 24 -10.639 -2.912 -1.039 207 HA ARG 24 HA ARG 24 -10.682 -1.169 1.298 208 HB2 ARG 24 HB2 ARG 24 -10.906 -0.099 -0.873 209 HB3 ARG 24 HB3 ARG 24 -12.244 -1.163 -1.288 210 HG2 ARG 24 HG2 ARG 24 -13.616 -0.201 0.336 211 HG3 ARG 24 HG3 ARG 24 -12.262 0.697 1.035 212 HD2 ARG 24 HD2 ARG 24 -12.087 1.638 -1.408 213 HD3 ARG 24 HD3 ARG 24 -13.800 1.222 -1.453 214 HE ARG 24 HE ARG 24 -12.602 3.408 -0.105 215 HH11 ARG 24 HH11 ARG 24 -15.247 1.125 0.134 216 HH12 ARG 24 HH12 ARG 24 -16.203 2.153 1.147 217 HH21 ARG 24 HH21 ARG 24 -13.865 4.752 1.234 218 HH22 ARG 24 HH22 ARG 24 -15.421 4.212 1.769 219 HA PRO 25 HA PRO 25 -13.002 -4.543 2.969 220 HB2 PRO 25 HB2 PRO 25 -13.401 -2.688 5.106 221 HB3 PRO 25 HB3 PRO 25 -12.733 -4.292 5.120 222 HG2 PRO 25 HG2 PRO 25 -11.167 -2.165 5.398 223 HG3 PRO 25 HG3 PRO 25 -10.642 -3.552 4.519 224 HD2 PRO 25 HD2 PRO 25 -11.523 -0.938 3.428 225 HD3 PRO 25 HD3 PRO 25 -10.284 -2.090 2.869 226 H SER 26 H SER 26 -14.895 -5.184 3.166 227 HA SER 26 HA SER 26 -16.973 -4.329 1.786 228 HB2 SER 26 HB2 SER 26 -16.944 -6.485 2.761 229 HB3 SER 26 HB3 SER 26 -17.047 -5.764 4.373 230 HG SER 26 HG SER 26 -19.093 -6.461 3.773 231 H ASP 27 H ASP 27 -16.238 -3.544 4.947 232 HA ASP 27 HA ASP 27 -16.769 -1.805 6.267 233 HB2 ASP 27 HB2 ASP 27 -16.462 -0.139 4.919 234 HB3 ASP 27 HB3 ASP 27 -17.145 -1.034 3.565 235 H1 LYS 1 H1 LYS 1 -17.895 7.118 3.404 236 H2 LYS 1 H2 LYS 1 -18.031 6.263 4.886 237 H3 LYS 1 H3 LYS 1 -18.132 5.421 3.394 238 HA LYS 1 HA LYS 1 -15.875 5.988 2.897 239 HB2 LYS 1 HB2 LYS 1 -16.280 7.589 5.369 240 HB3 LYS 1 HB3 LYS 1 -14.713 6.818 5.201 241 HG2 LYS 1 HG2 LYS 1 -15.923 8.663 3.149 242 HG3 LYS 1 HG3 LYS 1 -14.795 9.155 4.405 243 HD2 LYS 1 HD2 LYS 1 -13.313 8.812 2.711 244 HD3 LYS 1 HD3 LYS 1 -13.347 7.185 3.386 245 HE2 LYS 1 HE2 LYS 1 -13.529 7.365 0.878 246 HE3 LYS 1 HE3 LYS 1 -14.765 6.403 1.678 247 HZ1 LYS 1 HZ1 LYS 1 -16.372 8.001 1.303 248 HZ2 LYS 1 HZ2 LYS 1 -15.461 8.082 -0.120 249 HZ3 LYS 1 HZ3 LYS 1 -15.250 9.250 1.085 250 H LEU 2 H LEU 2 -13.910 5.093 4.265 251 HA LEU 2 HA LEU 2 -14.240 2.392 4.651 252 HB2 LEU 2 HB2 LEU 2 -12.282 4.339 5.754 253 HB3 LEU 2 HB3 LEU 2 -12.219 2.638 6.121 254 HG LEU 2 HG LEU 2 -12.072 3.733 3.336 255 HD11 LEU 2 HD11 LEU 2 -10.224 3.849 5.414 256 HD12 LEU 2 HD12 LEU 2 -9.940 4.145 3.698 257 HD13 LEU 2 HD13 LEU 2 -9.692 2.521 4.374 258 HD21 LEU 2 HD21 LEU 2 -12.566 1.154 4.303 259 HD22 LEU 2 HD22 LEU 2 -10.861 1.181 3.838 260 HD23 LEU 2 HD23 LEU 2 -12.111 1.618 2.662 261 HA PRO 3 HA PRO 3 -15.934 1.566 8.662 262 HB2 PRO 3 HB2 PRO 3 -14.122 -0.668 8.769 263 HB3 PRO 3 HB3 PRO 3 -15.879 -0.660 8.709 264 HG2 PRO 3 HG2 PRO 3 -14.448 -1.448 6.599 265 HG3 PRO 3 HG3 PRO 3 -15.935 -0.537 6.418 266 HD2 PRO 3 HD2 PRO 3 -13.112 0.444 6.198 267 HD3 PRO 3 HD3 PRO 3 -14.518 0.747 5.178 268 HA PRO 4 HA PRO 4 -13.339 3.092 11.788 269 HB2 PRO 4 HB2 PRO 4 -14.199 0.654 13.129 270 HB3 PRO 4 HB3 PRO 4 -14.061 2.278 13.737 271 HG2 PRO 4 HG2 PRO 4 -16.399 1.591 13.095 272 HG3 PRO 4 HG3 PRO 4 -15.784 3.037 12.317 273 HD2 PRO 4 HD2 PRO 4 -15.831 0.325 11.245 274 HD3 PRO 4 HD3 PRO 4 -16.441 1.801 10.549 275 H GLY 5 H GLY 5 -11.401 3.054 12.425 276 HA2 GLY 5 HA2 GLY 5 -9.248 2.373 12.768 277 HA3 GLY 5 HA3 GLY 5 -9.860 0.741 12.719 278 H TRP 6 H TRP 6 -10.929 1.622 9.816 279 HA TRP 6 HA TRP 6 -8.632 0.537 8.491 280 HB2 TRP 6 HB2 TRP 6 -11.382 1.202 7.723 281 HB3 TRP 6 HB3 TRP 6 -10.232 1.120 6.430 282 HD1 TRP 6 HD1 TRP 6 -12.745 -0.708 7.727 283 HE1 TRP 6 HE1 TRP 6 -12.509 -3.221 7.572 284 HE3 TRP 6 HE3 TRP 6 -7.885 -0.866 6.687 285 HZ2 TRP 6 HZ2 TRP 6 -10.427 -5.054 6.994 286 HZ3 TRP 6 HZ3 TRP 6 -6.810 -3.005 6.327 287 HH2 TRP 6 HH2 TRP 6 -8.009 -5.019 6.436 288 H GLU 7 H GLU 7 -7.516 1.457 6.829 289 HA GLU 7 HA GLU 7 -7.997 4.125 5.958 290 HB2 GLU 7 HB2 GLU 7 -5.693 4.969 6.572 291 HB3 GLU 7 HB3 GLU 7 -6.806 4.808 7.919 292 HG2 GLU 7 HG2 GLU 7 -5.022 2.509 7.356 293 HG3 GLU 7 HG3 GLU 7 -4.284 3.968 8.006 294 H LYS 8 H LYS 8 -7.543 4.154 3.885 295 HA LYS 8 HA LYS 8 -6.239 1.903 2.702 296 HB2 LYS 8 HB2 LYS 8 -8.205 3.302 1.665 297 HB3 LYS 8 HB3 LYS 8 -6.969 4.510 1.277 298 HG2 LYS 8 HG2 LYS 8 -5.721 2.711 0.030 299 HG3 LYS 8 HG3 LYS 8 -7.145 1.693 0.234 300 HD2 LYS 8 HD2 LYS 8 -7.983 2.621 -1.608 301 HD3 LYS 8 HD3 LYS 8 -8.116 4.138 -0.716 302 HE2 LYS 8 HE2 LYS 8 -5.585 3.292 -2.105 303 HE3 LYS 8 HE3 LYS 8 -6.851 4.207 -2.922 304 HZ1 LYS 8 HZ1 LYS 8 -5.146 5.670 -2.058 305 HZ2 LYS 8 HZ2 LYS 8 -5.373 5.072 -0.493 306 HZ3 LYS 8 HZ3 LYS 8 -6.606 5.948 -1.250 307 H ARG 9 H ARG 9 -4.111 1.725 2.735 308 HA ARG 9 HA ARG 9 -2.422 4.118 2.367 309 HB2 ARG 9 HB2 ARG 9 -2.291 1.918 4.284 310 HB3 ARG 9 HB3 ARG 9 -0.776 2.149 3.425 311 HG2 ARG 9 HG2 ARG 9 -1.076 4.641 4.047 312 HG3 ARG 9 HG3 ARG 9 -2.218 4.029 5.245 313 HD2 ARG 9 HD2 ARG 9 0.704 3.349 5.001 314 HD3 ARG 9 HD3 ARG 9 -0.079 4.214 6.306 315 HE ARG 9 HE ARG 9 -0.094 1.393 5.800 316 HH11 ARG 9 HH11 ARG 9 -1.419 4.044 7.689 317 HH12 ARG 9 HH12 ARG 9 -1.665 3.050 9.084 318 HH21 ARG 9 HH21 ARG 9 -0.324 0.227 7.536 319 HH22 ARG 9 HH22 ARG 9 -1.043 0.811 9.001 320 H CYS 10 H CYS 10 -0.371 3.767 1.174 321 HA CYS 10 HA CYS 10 -0.211 1.337 -0.400 322 HB2 CYS 10 HB2 CYS 10 -1.819 2.640 -1.706 323 HB3 CYS 10 HB3 CYS 10 -0.708 4.000 -1.750 324 H PHE 11 H PHE 11 1.809 0.777 -0.177 325 HA PHE 11 HA PHE 11 3.878 2.840 -0.470 326 HB2 PHE 11 HB2 PHE 11 5.418 1.440 0.763 327 HB3 PHE 11 HB3 PHE 11 3.916 1.523 1.686 328 HD1 PHE 11 HD2 PHE 11 5.903 -0.575 -0.629 329 HD2 PHE 11 HD1 PHE 11 2.740 -0.449 2.232 330 HE1 PHE 11 HE2 PHE 11 5.854 -3.047 -0.576 331 HE2 PHE 11 HE1 PHE 11 2.681 -2.918 2.287 332 HZ PHE 11 HZ PHE 11 4.241 -4.219 0.881 333 H TYR 12 H TYR 12 5.288 2.673 -2.138 334 HA TYR 12 HA TYR 12 4.792 0.744 -4.225 335 HB2 TYR 12 HB2 TYR 12 6.496 3.171 -3.899 336 HB3 TYR 12 HB3 TYR 12 7.073 1.956 -5.034 337 HD1 TYR 12 HD1 TYR 12 5.712 1.359 -7.014 338 HD2 TYR 12 HD2 TYR 12 4.492 4.490 -4.401 339 HE1 TYR 12 HE1 TYR 12 4.273 2.181 -8.719 340 HE2 TYR 12 HE2 TYR 12 2.987 5.342 -6.088 341 HH TYR 12 HH TYR 12 2.281 3.570 -9.004 342 H PHE 13 H PHE 13 6.179 -1.009 -4.742 343 HA PHE 13 HA PHE 13 8.418 -1.398 -2.828 344 HB2 PHE 13 HB2 PHE 13 6.417 -2.979 -2.516 345 HB3 PHE 13 HB3 PHE 13 6.913 -3.711 -4.047 346 HD1 PHE 13 HD2 PHE 13 8.049 -2.898 -0.642 347 HD2 PHE 13 HD1 PHE 13 8.761 -5.232 -4.121 348 HE1 PHE 13 HE2 PHE 13 9.676 -4.235 0.600 349 HE2 PHE 13 HE1 PHE 13 10.378 -6.607 -2.908 350 HZ PHE 13 HZ PHE 13 10.853 -6.112 -0.520 351 H ASN 14 H ASN 14 10.250 -1.341 -3.761 352 HA ASN 14 HA ASN 14 10.394 -1.737 -6.612 353 HB2 ASN 14 HB2 ASN 14 11.498 0.237 -5.473 354 HB3 ASN 14 HB3 ASN 14 12.634 -0.856 -4.798 355 HD21 ASN 14 HD21 ASN 14 11.279 -0.878 -7.999 356 HD22 ASN 14 HD22 ASN 14 12.766 -0.657 -8.839 357 H ARG 15 H ARG 15 9.904 -4.055 -6.155 358 HA ARG 15 HA ARG 15 11.267 -5.815 -4.676 359 HB2 ARG 15 HB2 ARG 15 9.785 -7.112 -5.641 360 HB3 ARG 15 HB3 ARG 15 9.645 -6.056 -7.042 361 HG2 ARG 15 HG2 ARG 15 11.236 -7.224 -8.249 362 HG3 ARG 15 HG3 ARG 15 11.952 -7.941 -6.805 363 HD2 ARG 15 HD2 ARG 15 9.171 -8.573 -7.782 364 HD3 ARG 15 HD3 ARG 15 10.594 -9.524 -8.209 365 HE ARG 15 HE ARG 15 9.167 -9.568 -5.729 366 HH11 ARG 15 HH11 ARG 15 12.315 -10.083 -7.180 367 HH12 ARG 15 HH12 ARG 15 12.852 -11.147 -5.925 368 HH21 ARG 15 HH21 ARG 15 9.884 -10.968 -4.081 369 HH22 ARG 15 HH22 ARG 15 11.474 -11.651 -4.167 370 H ILE 16 H ILE 16 12.821 -4.164 -7.383 371 HA ILE 16 HA ILE 16 14.848 -5.995 -7.844 372 HB ILE 16 HB ILE 16 14.612 -3.052 -8.089 373 HG12 ILE 16 HG12 ILE 16 13.754 -3.567 -10.058 374 HG13 ILE 16 HG13 ILE 16 15.210 -4.398 -10.478 375 HG21 ILE 16 HG21 ILE 16 16.837 -3.570 -7.474 376 HG22 ILE 16 HG22 ILE 16 16.808 -3.225 -9.222 377 HG23 ILE 16 HG23 ILE 16 16.879 -4.897 -8.640 378 HD11 ILE 16 HD11 ILE 16 13.292 -5.942 -8.902 379 HD12 ILE 16 HD12 ILE 16 14.267 -6.416 -10.289 380 HD13 ILE 16 HD13 ILE 16 12.777 -5.494 -10.533 381 H THR 17 H THR 17 14.470 -3.180 -5.896 382 HA THR 17 HA THR 17 16.733 -3.815 -4.289 383 HB THR 17 HB THR 17 16.929 -1.545 -3.811 384 HG1 THR 17 HG1 THR 17 14.589 -1.309 -3.485 385 HG21 THR 17 HG21 THR 17 17.088 -0.587 -5.984 386 HG22 THR 17 HG22 THR 17 15.918 -1.768 -6.632 387 HG23 THR 17 HG23 THR 17 17.506 -2.303 -6.062 388 H GLY 18 H GLY 18 13.933 -4.843 -4.332 389 HA2 GLY 18 HA2 GLY 18 12.092 -5.109 -2.997 390 HA3 GLY 18 HA3 GLY 18 13.274 -5.660 -1.859 391 H LYS 19 H LYS 19 13.172 -2.441 -3.043 392 HA LYS 19 HA LYS 19 13.042 -1.221 -0.518 393 HB2 LYS 19 HB2 LYS 19 13.215 -0.400 -3.301 394 HB3 LYS 19 HB3 LYS 19 12.492 0.757 -2.187 395 HG2 LYS 19 HG2 LYS 19 14.463 0.468 -0.752 396 HG3 LYS 19 HG3 LYS 19 15.204 -0.476 -2.071 397 HD2 LYS 19 HD2 LYS 19 15.491 1.374 -3.390 398 HD3 LYS 19 HD3 LYS 19 14.092 2.211 -2.715 399 HE2 LYS 19 HE2 LYS 19 15.420 3.370 -1.367 400 HE3 LYS 19 HE3 LYS 19 16.008 1.874 -0.643 401 HZ1 LYS 19 HZ1 LYS 19 17.840 3.137 -1.517 402 HZ2 LYS 19 HZ2 LYS 19 17.120 3.221 -3.046 403 HZ3 LYS 19 HZ3 LYS 19 17.652 1.733 -2.443 404 H ARG 20 H ARG 20 11.552 0.347 0.168 405 HA ARG 20 HA ARG 20 8.913 0.218 -0.982 406 HB2 ARG 20 HB2 ARG 20 7.772 -0.146 1.050 407 HB3 ARG 20 HB3 ARG 20 9.018 -1.412 0.854 408 HG2 ARG 20 HG2 ARG 20 9.665 -0.958 2.926 409 HG3 ARG 20 HG3 ARG 20 10.294 0.568 2.306 410 HD2 ARG 20 HD2 ARG 20 8.712 1.751 3.348 411 HD3 ARG 20 HD3 ARG 20 7.432 0.673 2.797 412 HE ARG 20 HE ARG 20 8.832 0.580 5.327 413 HH11 ARG 20 HH11 ARG 20 6.766 -1.147 3.083 414 HH12 ARG 20 HH12 ARG 20 6.176 -2.244 4.283 415 HH21 ARG 20 HH21 ARG 20 8.051 -0.872 6.900 416 HH22 ARG 20 HH22 ARG 20 6.905 -2.089 6.450 417 H GLN 21 H GLN 21 7.833 1.999 -0.995 418 HA GLN 21 HA GLN 21 8.455 4.174 0.788 419 HB2 GLN 21 HB2 GLN 21 8.419 5.325 -1.740 420 HB3 GLN 21 HB3 GLN 21 9.719 5.341 -0.593 421 HG2 GLN 21 HG2 GLN 21 10.349 3.097 -1.562 422 HG3 GLN 21 HG3 GLN 21 9.188 3.435 -2.805 423 HE21 GLN 21 HE21 GLN 21 9.521 5.599 -3.883 424 HE22 GLN 21 HE22 GLN 21 11.148 6.007 -4.239 425 H PHE 22 H PHE 22 6.671 5.614 0.935 426 HA PHE 22 HA PHE 22 4.216 4.618 -0.262 427 HB2 PHE 22 HB2 PHE 22 4.854 6.946 1.552 428 HB3 PHE 22 HB3 PHE 22 3.237 6.663 0.926 429 HD1 PHE 22 HD1 PHE 22 2.315 4.212 1.343 430 HD2 PHE 22 HD2 PHE 22 5.415 6.044 3.613 431 HE1 PHE 22 HE1 PHE 22 1.872 2.661 3.189 432 HE2 PHE 22 HE2 PHE 22 4.979 4.497 5.464 433 HZ PHE 22 HZ PHE 22 3.209 2.814 5.238 434 H GLU 23 H GLU 23 6.115 5.419 -2.137 435 HA GLU 23 HA GLU 23 4.892 7.657 -3.552 436 HB2 GLU 23 HB2 GLU 23 6.697 8.892 -3.071 437 HB3 GLU 23 HB3 GLU 23 7.490 7.510 -2.297 438 HG2 GLU 23 HG2 GLU 23 8.226 6.727 -4.532 439 HG3 GLU 23 HG3 GLU 23 7.522 8.185 -5.230 440 H ARG 24 H ARG 24 5.333 7.810 -5.675 441 HA ARG 24 HA ARG 24 6.224 5.358 -6.986 442 HB2 ARG 24 HB2 ARG 24 4.044 6.191 -7.677 443 HB3 ARG 24 HB3 ARG 24 4.752 7.749 -8.095 444 HG2 ARG 24 HG2 ARG 24 6.271 6.461 -9.614 445 HG3 ARG 24 HG3 ARG 24 5.165 5.092 -9.394 446 HD2 ARG 24 HD2 ARG 24 3.437 6.158 -10.475 447 HD3 ARG 24 HD3 ARG 24 4.076 7.765 -10.129 448 HE ARG 24 HE ARG 24 4.710 6.050 -12.351 449 HH11 ARG 24 HH11 ARG 24 5.737 8.803 -10.445 450 HH12 ARG 24 HH12 ARG 24 6.732 9.462 -11.697 451 HH21 ARG 24 HH21 ARG 24 6.036 6.935 -14.010 452 HH22 ARG 24 HH22 ARG 24 6.902 8.404 -13.717 453 HA PRO 25 HA PRO 25 10.122 7.423 -6.541 454 HB2 PRO 25 HB2 PRO 25 10.934 5.291 -8.273 455 HB3 PRO 25 HB3 PRO 25 11.522 5.757 -6.706 456 HG2 PRO 25 HG2 PRO 25 9.935 3.624 -7.069 457 HG3 PRO 25 HG3 PRO 25 9.947 4.528 -5.620 458 HD2 PRO 25 HD2 PRO 25 7.869 4.420 -7.645 459 HD3 PRO 25 HD3 PRO 25 7.819 4.869 -5.935 460 H SER 26 H SER 26 11.538 8.522 -7.566 461 HA SER 26 HA SER 26 11.038 10.333 -9.337 462 HB2 SER 26 HB2 SER 26 13.135 10.228 -8.246 463 HB3 SER 26 HB3 SER 26 13.575 8.815 -9.215 464 HG SER 26 HG SER 26 14.168 10.109 -10.766 465 H ASP 27 H ASP 27 12.031 7.237 -10.202 466 HA ASP 27 HA ASP 27 11.740 6.002 -12.074 467 HB2 ASP 27 HB2 ASP 27 9.669 6.340 -12.572 468 HB3 ASP 27 HB3 ASP 27 9.764 8.017 -12.039 Start of MODEL 16 1 H1 LYS 1 H1 LYS 1 6.124 7.861 -14.610 2 H2 LYS 1 H2 LYS 1 4.609 7.517 -15.339 3 H3 LYS 1 H3 LYS 1 6.020 6.688 -15.856 4 HA LYS 1 HA LYS 1 4.826 6.537 -13.169 5 HB2 LYS 1 HB2 LYS 1 3.989 4.393 -13.827 6 HB3 LYS 1 HB3 LYS 1 3.442 5.574 -14.999 7 HG2 LYS 1 HG2 LYS 1 5.957 4.329 -15.762 8 HG3 LYS 1 HG3 LYS 1 4.646 3.165 -15.559 9 HD2 LYS 1 HD2 LYS 1 3.358 4.134 -17.229 10 HD3 LYS 1 HD3 LYS 1 4.196 5.681 -17.116 11 HE2 LYS 1 HE2 LYS 1 5.572 5.098 -18.724 12 HE3 LYS 1 HE3 LYS 1 6.073 3.667 -17.827 13 HZ1 LYS 1 HZ1 LYS 1 5.185 3.083 -19.995 14 HZ2 LYS 1 HZ2 LYS 1 3.719 3.844 -19.632 15 HZ3 LYS 1 HZ3 LYS 1 4.194 2.468 -18.770 16 H LEU 2 H LEU 2 5.717 4.617 -11.959 17 HA LEU 2 HA LEU 2 8.477 4.800 -11.959 18 HB2 LEU 2 HB2 LEU 2 8.490 3.947 -9.936 19 HB3 LEU 2 HB3 LEU 2 6.795 4.337 -10.036 20 HG LEU 2 HG LEU 2 8.132 1.706 -10.091 21 HD11 LEU 2 HD11 LEU 2 6.012 1.312 -8.641 22 HD12 LEU 2 HD12 LEU 2 5.966 3.084 -8.616 23 HD13 LEU 2 HD13 LEU 2 7.370 2.244 -7.961 24 HD21 LEU 2 HD21 LEU 2 5.295 1.714 -10.593 25 HD22 LEU 2 HD22 LEU 2 6.607 0.712 -11.279 26 HD23 LEU 2 HD23 LEU 2 6.336 2.317 -11.926 27 HA PRO 3 HA PRO 3 10.586 1.676 -14.124 28 HB2 PRO 3 HB2 PRO 3 12.158 1.232 -11.774 29 HB3 PRO 3 HB3 PRO 3 12.602 2.019 -13.286 30 HG2 PRO 3 HG2 PRO 3 12.292 3.376 -10.999 31 HG3 PRO 3 HG3 PRO 3 11.902 4.060 -12.572 32 HD2 PRO 3 HD2 PRO 3 10.056 2.924 -10.524 33 HD3 PRO 3 HD3 PRO 3 9.936 4.375 -11.465 34 HA PRO 4 HA PRO 4 10.138 -2.633 -13.314 35 HB2 PRO 4 HB2 PRO 4 13.034 -2.590 -13.542 36 HB3 PRO 4 HB3 PRO 4 11.870 -3.598 -14.344 37 HG2 PRO 4 HG2 PRO 4 12.813 -1.749 -15.760 38 HG3 PRO 4 HG3 PRO 4 11.064 -1.794 -15.610 39 HD2 PRO 4 HD2 PRO 4 12.916 -0.181 -14.030 40 HD3 PRO 4 HD3 PRO 4 11.599 0.341 -15.038 41 H GLY 5 H GLY 5 10.560 -4.239 -11.870 42 HA2 GLY 5 HA2 GLY 5 11.207 -5.140 -9.839 43 HA3 GLY 5 HA3 GLY 5 12.247 -3.744 -9.661 44 H TRP 6 H TRP 6 10.118 -1.804 -10.067 45 HA TRP 6 HA TRP 6 9.205 -1.542 -7.403 46 HB2 TRP 6 HB2 TRP 6 9.057 -0.010 -9.892 47 HB3 TRP 6 HB3 TRP 6 7.811 0.300 -8.766 48 HD1 TRP 6 HD1 TRP 6 10.669 1.659 -9.933 49 HE1 TRP 6 HE1 TRP 6 11.999 3.065 -8.272 50 HE3 TRP 6 HE3 TRP 6 8.391 0.167 -5.813 51 HZ2 TRP 6 HZ2 TRP 6 12.001 3.447 -5.453 52 HZ3 TRP 6 HZ3 TRP 6 9.058 1.058 -3.679 53 HH2 TRP 6 HH2 TRP 6 10.748 2.653 -3.478 54 H GLU 7 H GLU 7 7.204 -1.952 -6.612 55 HA GLU 7 HA GLU 7 5.035 -2.399 -8.468 56 HB2 GLU 7 HB2 GLU 7 5.634 -4.484 -6.373 57 HB3 GLU 7 HB3 GLU 7 4.339 -4.499 -7.559 58 HG2 GLU 7 HG2 GLU 7 7.127 -4.385 -8.569 59 HG3 GLU 7 HG3 GLU 7 6.567 -5.900 -7.868 60 H LYS 8 H LYS 8 3.707 -0.951 -7.806 61 HA LYS 8 HA LYS 8 3.535 0.279 -5.350 62 HB2 LYS 8 HB2 LYS 8 2.187 0.867 -7.530 63 HB3 LYS 8 HB3 LYS 8 1.057 -0.399 -7.048 64 HG2 LYS 8 HG2 LYS 8 0.540 0.765 -4.981 65 HG3 LYS 8 HG3 LYS 8 1.711 2.022 -5.370 66 HD2 LYS 8 HD2 LYS 8 -0.512 2.800 -5.892 67 HD3 LYS 8 HD3 LYS 8 0.388 2.577 -7.388 68 HE2 LYS 8 HE2 LYS 8 -0.877 0.791 -8.047 69 HE3 LYS 8 HE3 LYS 8 -1.242 0.303 -6.393 70 HZ1 LYS 8 HZ1 LYS 8 -2.368 2.749 -7.633 71 HZ2 LYS 8 HZ2 LYS 8 -2.858 1.994 -6.201 72 HZ3 LYS 8 HZ3 LYS 8 -3.146 1.248 -7.691 73 H ARG 9 H ARG 9 2.593 -0.284 -3.353 74 HA ARG 9 HA ARG 9 1.009 -2.767 -3.239 75 HB2 ARG 9 HB2 ARG 9 3.293 -2.009 -1.414 76 HB3 ARG 9 HB3 ARG 9 2.139 -3.280 -1.046 77 HG2 ARG 9 HG2 ARG 9 2.818 -4.467 -3.086 78 HG3 ARG 9 HG3 ARG 9 4.011 -3.207 -3.401 79 HD2 ARG 9 HD2 ARG 9 4.954 -5.235 -2.297 80 HD3 ARG 9 HD3 ARG 9 5.200 -3.763 -1.381 81 HE ARG 9 HE ARG 9 3.886 -4.577 0.237 82 HH11 ARG 9 HH11 ARG 9 3.420 -6.575 -2.613 83 HH12 ARG 9 HH12 ARG 9 2.824 -7.914 -1.692 84 HH21 ARG 9 HH21 ARG 9 3.249 -6.251 1.345 85 HH22 ARG 9 HH22 ARG 9 2.702 -7.729 0.623 86 H CYS 10 H CYS 10 -0.952 -1.761 -2.947 87 HA CYS 10 HA CYS 10 -1.188 0.059 -0.643 88 HB2 CYS 10 HB2 CYS 10 -3.491 -0.247 -2.483 89 HB3 CYS 10 HB3 CYS 10 -2.865 1.186 -1.687 90 H PHE 11 H PHE 11 -1.546 -1.111 1.119 91 HA PHE 11 HA PHE 11 -3.729 -3.081 1.032 92 HB2 PHE 11 HB2 PHE 11 -2.733 -4.181 2.978 93 HB3 PHE 11 HB3 PHE 11 -1.529 -4.047 1.692 94 HD1 PHE 11 HD1 PHE 11 -2.674 -2.572 4.886 95 HD2 PHE 11 HD2 PHE 11 0.502 -2.909 2.066 96 HE1 PHE 11 HE1 PHE 11 -1.147 -1.473 6.474 97 HE2 PHE 11 HE2 PHE 11 2.028 -1.806 3.649 98 HZ PHE 11 HZ PHE 11 1.205 -1.088 5.855 99 H TYR 12 H TYR 12 -5.369 -2.920 2.550 100 HA TYR 12 HA TYR 12 -5.602 -0.353 3.907 101 HB2 TYR 12 HB2 TYR 12 -7.504 -2.547 3.167 102 HB3 TYR 12 HB3 TYR 12 -7.905 -1.557 4.569 103 HD1 TYR 12 HD2 TYR 12 -7.422 -1.549 0.924 104 HD2 TYR 12 HD1 TYR 12 -8.453 0.835 4.298 105 HE1 TYR 12 HE2 TYR 12 -8.211 0.151 -0.558 106 HE2 TYR 12 HE1 TYR 12 -9.232 2.532 2.843 107 HH TYR 12 HH TYR 12 -8.821 3.310 0.432 108 H PHE 13 H PHE 13 -5.594 -0.192 6.186 109 HA PHE 13 HA PHE 13 -5.052 -2.759 7.580 110 HB2 PHE 13 HB2 PHE 13 -3.128 -1.033 7.544 111 HB3 PHE 13 HB3 PHE 13 -4.132 -0.090 8.654 112 HD1 PHE 13 HD2 PHE 13 -2.613 -3.410 8.173 113 HD2 PHE 13 HD1 PHE 13 -4.162 -0.629 10.980 114 HE1 PHE 13 HE2 PHE 13 -1.771 -4.793 9.997 115 HE2 PHE 13 HE1 PHE 13 -3.322 -1.974 12.826 116 HZ PHE 13 HZ PHE 13 -2.112 -4.083 12.344 117 H ASN 14 H ASN 14 -6.557 -3.360 8.836 118 HA ASN 14 HA ASN 14 -8.538 -1.420 9.623 119 HB2 ASN 14 HB2 ASN 14 -9.083 -3.712 8.588 120 HB3 ASN 14 HB3 ASN 14 -8.685 -4.381 10.115 121 HD21 ASN 14 HD21 ASN 14 -10.262 -1.314 9.830 122 HD22 ASN 14 HD22 ASN 14 -11.785 -1.815 10.456 123 H ARG 15 H ARG 15 -6.840 -0.527 11.103 124 HA ARG 15 HA ARG 15 -5.521 -1.751 13.082 125 HB2 ARG 15 HB2 ARG 15 -4.904 0.341 13.322 126 HB3 ARG 15 HB3 ARG 15 -6.416 0.963 12.671 127 HG2 ARG 15 HG2 ARG 15 -7.352 1.255 14.726 128 HG3 ARG 15 HG3 ARG 15 -6.421 -0.050 15.462 129 HD2 ARG 15 HD2 ARG 15 -5.157 2.522 14.544 130 HD3 ARG 15 HD3 ARG 15 -5.812 2.316 16.168 131 HE ARG 15 HE ARG 15 -3.352 1.264 15.150 132 HH11 ARG 15 HH11 ARG 15 -5.893 0.724 17.502 133 HH12 ARG 15 HH12 ARG 15 -4.882 -0.200 18.560 134 HH21 ARG 15 HH21 ARG 15 -2.029 0.045 16.550 135 HH22 ARG 15 HH22 ARG 15 -2.690 -0.585 18.021 136 H ILE 16 H ILE 16 -9.042 -1.630 13.068 137 HA ILE 16 HA ILE 16 -9.461 -2.003 15.793 138 HB ILE 16 HB ILE 16 -10.938 -2.729 13.332 139 HG12 ILE 16 HG12 ILE 16 -11.688 -0.662 13.568 140 HG13 ILE 16 HG13 ILE 16 -12.382 -1.118 15.083 141 HG21 ILE 16 HG21 ILE 16 -11.278 -4.455 14.907 142 HG22 ILE 16 HG22 ILE 16 -12.725 -3.415 14.914 143 HG23 ILE 16 HG23 ILE 16 -11.514 -3.272 16.199 144 HD11 ILE 16 HD11 ILE 16 -9.559 -0.282 15.080 145 HD12 ILE 16 HD12 ILE 16 -10.813 -0.028 16.291 146 HD13 ILE 16 HD13 ILE 16 -10.791 0.955 14.821 147 H THR 17 H THR 17 -9.209 -4.026 13.026 148 HA THR 17 HA THR 17 -8.821 -6.412 14.523 149 HB THR 17 HB THR 17 -9.332 -7.569 12.562 150 HG1 THR 17 HG1 THR 17 -8.010 -6.295 11.151 151 HG21 THR 17 HG21 THR 17 -10.973 -5.061 12.490 152 HG22 THR 17 HG22 THR 17 -11.109 -6.313 13.732 153 HG23 THR 17 HG23 THR 17 -11.464 -6.714 12.046 154 H GLY 18 H GLY 18 -7.053 -3.973 13.755 155 HA2 GLY 18 HA2 GLY 18 -4.998 -3.538 12.831 156 HA3 GLY 18 HA3 GLY 18 -4.505 -4.635 14.081 157 H LYS 19 H LYS 19 -6.481 -5.409 11.317 158 HA LYS 19 HA LYS 19 -4.393 -7.183 10.345 159 HB2 LYS 19 HB2 LYS 19 -5.914 -8.750 9.894 160 HB3 LYS 19 HB3 LYS 19 -6.835 -7.895 11.157 161 HG2 LYS 19 HG2 LYS 19 -8.293 -7.038 9.677 162 HG3 LYS 19 HG3 LYS 19 -7.090 -6.953 8.383 163 HD2 LYS 19 HD2 LYS 19 -8.051 -9.614 9.345 164 HD3 LYS 19 HD3 LYS 19 -9.051 -8.679 8.232 165 HE2 LYS 19 HE2 LYS 19 -7.450 -8.761 6.536 166 HE3 LYS 19 HE3 LYS 19 -6.153 -9.184 7.653 167 HZ1 LYS 19 HZ1 LYS 19 -8.409 -10.944 6.853 168 HZ2 LYS 19 HZ2 LYS 19 -7.201 -11.353 7.965 169 HZ3 LYS 19 HZ3 LYS 19 -6.802 -11.088 6.343 170 H ARG 20 H ARG 20 -4.309 -7.546 8.042 171 HA ARG 20 HA ARG 20 -4.923 -5.075 6.598 172 HB2 ARG 20 HB2 ARG 20 -2.810 -5.113 5.528 173 HB3 ARG 20 HB3 ARG 20 -2.518 -5.480 7.248 174 HG2 ARG 20 HG2 ARG 20 -2.052 -7.714 6.816 175 HG3 ARG 20 HG3 ARG 20 -2.823 -7.670 5.230 176 HD2 ARG 20 HD2 ARG 20 -0.833 -5.749 5.068 177 HD3 ARG 20 HD3 ARG 20 -0.092 -7.057 5.986 178 HE ARG 20 HE ARG 20 -1.334 -7.422 3.333 179 HH11 ARG 20 HH11 ARG 20 1.207 -8.165 5.643 180 HH12 ARG 20 HH12 ARG 20 2.008 -9.267 4.579 181 HH21 ARG 20 HH21 ARG 20 -0.264 -8.877 1.952 182 HH22 ARG 20 HH22 ARG 20 1.178 -9.670 2.489 183 H GLN 21 H GLN 21 -5.324 -5.076 4.473 184 HA GLN 21 HA GLN 21 -5.581 -7.570 3.040 185 HB2 GLN 21 HB2 GLN 21 -7.867 -6.186 2.383 186 HB3 GLN 21 HB3 GLN 21 -7.779 -7.711 3.199 187 HG2 GLN 21 HG2 GLN 21 -7.612 -6.413 5.314 188 HG3 GLN 21 HG3 GLN 21 -7.924 -4.987 4.375 189 HE21 GLN 21 HE21 GLN 21 -9.974 -4.963 3.158 190 HE22 GLN 21 HE22 GLN 21 -11.321 -5.750 3.867 191 H PHE 22 H PHE 22 -5.538 -7.206 0.731 192 HA PHE 22 HA PHE 22 -4.484 -4.575 0.006 193 HB2 PHE 22 HB2 PHE 22 -4.781 -7.194 -1.446 194 HB3 PHE 22 HB3 PHE 22 -4.390 -5.719 -2.317 195 HD1 PHE 22 HD2 PHE 22 -2.359 -4.359 -1.280 196 HD2 PHE 22 HD1 PHE 22 -3.036 -8.510 -0.709 197 HE1 PHE 22 HE2 PHE 22 0.004 -4.665 -0.741 198 HE2 PHE 22 HE1 PHE 22 -0.675 -8.824 -0.168 199 HZ PHE 22 HZ PHE 22 0.828 -6.899 -0.189 200 H GLU 23 H GLU 23 -7.126 -4.608 0.879 201 HA GLU 23 HA GLU 23 -8.644 -3.775 -1.469 202 HB2 GLU 23 HB2 GLU 23 -9.932 -5.581 -1.211 203 HB3 GLU 23 HB3 GLU 23 -9.099 -6.022 0.289 204 HG2 GLU 23 HG2 GLU 23 -10.520 -4.451 1.528 205 HG3 GLU 23 HG3 GLU 23 -11.365 -4.064 0.027 206 H ARG 24 H ARG 24 -10.233 -2.422 -1.210 207 HA ARG 24 HA ARG 24 -10.204 -0.765 1.174 208 HB2 ARG 24 HB2 ARG 24 -10.226 0.391 -0.932 209 HB3 ARG 24 HB3 ARG 24 -11.640 -0.519 -1.457 210 HG2 ARG 24 HG2 ARG 24 -13.017 0.544 0.053 211 HG3 ARG 24 HG3 ARG 24 -11.652 1.178 0.985 212 HD2 ARG 24 HD2 ARG 24 -11.099 2.258 -1.386 213 HD3 ARG 24 HD3 ARG 24 -12.853 2.166 -1.538 214 HE ARG 24 HE ARG 24 -11.357 3.976 0.053 215 HH11 ARG 24 HH11 ARG 24 -14.386 2.221 -0.041 216 HH12 ARG 24 HH12 ARG 24 -15.211 3.346 0.982 217 HH21 ARG 24 HH21 ARG 24 -12.454 5.456 1.401 218 HH22 ARG 24 HH22 ARG 24 -14.116 5.181 1.796 219 HA PRO 25 HA PRO 25 -13.133 -3.786 2.634 220 HB2 PRO 25 HB2 PRO 25 -12.940 -2.254 5.003 221 HB3 PRO 25 HB3 PRO 25 -12.531 -3.928 4.729 222 HG2 PRO 25 HG2 PRO 25 -10.636 -2.122 5.153 223 HG3 PRO 25 HG3 PRO 25 -10.412 -3.406 4.026 224 HD2 PRO 25 HD2 PRO 25 -11.084 -0.550 3.421 225 HD3 PRO 25 HD3 PRO 25 -9.940 -1.675 2.646 226 H SER 26 H SER 26 -15.168 -3.898 3.183 227 HA SER 26 HA SER 26 -16.768 -1.724 2.466 228 HB2 SER 26 HB2 SER 26 -18.618 -3.038 2.721 229 HB3 SER 26 HB3 SER 26 -17.362 -4.115 2.078 230 HG SER 26 HG SER 26 -18.781 -4.381 4.328 231 H ASP 27 H ASP 27 -18.028 -0.659 3.425 232 HA ASP 27 HA ASP 27 -17.392 0.560 5.747 233 HB2 ASP 27 HB2 ASP 27 -18.768 2.029 4.950 234 HB3 ASP 27 HB3 ASP 27 -19.102 0.890 3.647 235 H1 LYS 1 H1 LYS 1 -16.975 7.817 3.003 236 H2 LYS 1 H2 LYS 1 -17.456 6.601 4.114 237 H3 LYS 1 H3 LYS 1 -17.054 6.181 2.500 238 HA LYS 1 HA LYS 1 -14.823 6.690 2.808 239 HB2 LYS 1 HB2 LYS 1 -14.002 7.617 4.940 240 HB3 LYS 1 HB3 LYS 1 -15.132 8.702 4.144 241 HG2 LYS 1 HG2 LYS 1 -16.460 6.913 6.002 242 HG3 LYS 1 HG3 LYS 1 -15.209 7.884 6.779 243 HD2 LYS 1 HD2 LYS 1 -16.283 9.867 6.333 244 HD3 LYS 1 HD3 LYS 1 -17.113 9.225 4.917 245 HE2 LYS 1 HE2 LYS 1 -17.726 8.388 7.736 246 HE3 LYS 1 HE3 LYS 1 -18.559 9.698 6.905 247 HZ1 LYS 1 HZ1 LYS 1 -18.569 6.816 6.230 248 HZ2 LYS 1 HZ2 LYS 1 -19.083 7.997 5.133 249 HZ3 LYS 1 HZ3 LYS 1 -19.888 7.806 6.608 250 H LEU 2 H LEU 2 -13.224 5.477 4.216 251 HA LEU 2 HA LEU 2 -13.775 2.814 4.430 252 HB2 LEU 2 HB2 LEU 2 -11.869 4.576 5.871 253 HB3 LEU 2 HB3 LEU 2 -11.963 2.867 6.184 254 HG LEU 2 HG LEU 2 -11.336 4.056 3.503 255 HD11 LEU 2 HD11 LEU 2 -9.369 4.445 4.437 256 HD12 LEU 2 HD12 LEU 2 -9.154 2.682 4.491 257 HD13 LEU 2 HD13 LEU 2 -9.802 3.547 5.890 258 HD21 LEU 2 HD21 LEU 2 -10.417 1.404 3.901 259 HD22 LEU 2 HD22 LEU 2 -11.575 1.998 2.706 260 HD23 LEU 2 HD23 LEU 2 -12.135 1.451 4.285 261 HA PRO 3 HA PRO 3 -15.992 1.898 8.168 262 HB2 PRO 3 HB2 PRO 3 -14.418 -0.499 8.314 263 HB3 PRO 3 HB3 PRO 3 -16.141 -0.320 8.016 264 HG2 PRO 3 HG2 PRO 3 -14.474 -1.103 6.073 265 HG3 PRO 3 HG3 PRO 3 -15.861 -0.076 5.748 266 HD2 PRO 3 HD2 PRO 3 -12.980 0.710 6.011 267 HD3 PRO 3 HD3 PRO 3 -14.192 1.171 4.817 268 HA PRO 4 HA PRO 4 -13.622 2.983 11.644 269 HB2 PRO 4 HB2 PRO 4 -14.762 0.520 12.697 270 HB3 PRO 4 HB3 PRO 4 -14.576 2.077 13.448 271 HG2 PRO 4 HG2 PRO 4 -16.882 1.618 12.541 272 HG3 PRO 4 HG3 PRO 4 -16.099 3.069 11.943 273 HD2 PRO 4 HD2 PRO 4 -16.230 0.458 10.652 274 HD3 PRO 4 HD3 PRO 4 -16.661 2.024 10.026 275 H GLY 5 H GLY 5 -11.769 2.765 12.482 276 HA2 GLY 5 HA2 GLY 5 -9.696 1.946 12.957 277 HA3 GLY 5 HA3 GLY 5 -10.397 0.360 12.772 278 H TRP 6 H TRP 6 -11.087 1.533 9.823 279 HA TRP 6 HA TRP 6 -8.765 0.291 8.671 280 HB2 TRP 6 HB2 TRP 6 -11.366 1.214 7.688 281 HB3 TRP 6 HB3 TRP 6 -10.105 1.088 6.509 282 HD1 TRP 6 HD1 TRP 6 -12.857 -0.593 7.548 283 HE1 TRP 6 HE1 TRP 6 -12.791 -3.110 7.296 284 HE3 TRP 6 HE3 TRP 6 -7.960 -1.058 6.814 285 HZ2 TRP 6 HZ2 TRP 6 -10.803 -5.056 6.705 286 HZ3 TRP 6 HZ3 TRP 6 -7.021 -3.248 6.388 287 HH2 TRP 6 HH2 TRP 6 -8.362 -5.170 6.311 288 H GLU 7 H GLU 7 -7.348 1.186 7.261 289 HA GLU 7 HA GLU 7 -7.543 3.957 6.505 290 HB2 GLU 7 HB2 GLU 7 -5.247 2.970 8.233 291 HB3 GLU 7 HB3 GLU 7 -5.192 4.461 7.307 292 HG2 GLU 7 HG2 GLU 7 -7.326 3.951 9.355 293 HG3 GLU 7 HG3 GLU 7 -5.752 4.614 9.784 294 H LYS 8 H LYS 8 -6.894 4.137 4.468 295 HA LYS 8 HA LYS 8 -5.727 1.840 3.178 296 HB2 LYS 8 HB2 LYS 8 -7.507 3.448 2.116 297 HB3 LYS 8 HB3 LYS 8 -6.184 4.610 1.943 298 HG2 LYS 8 HG2 LYS 8 -4.982 2.602 0.724 299 HG3 LYS 8 HG3 LYS 8 -6.638 2.057 0.479 300 HD2 LYS 8 HD2 LYS 8 -7.170 4.291 -0.482 301 HD3 LYS 8 HD3 LYS 8 -5.459 4.703 -0.353 302 HE2 LYS 8 HE2 LYS 8 -6.056 2.163 -1.722 303 HE3 LYS 8 HE3 LYS 8 -6.604 3.619 -2.552 304 HZ1 LYS 8 HZ1 LYS 8 -4.344 4.494 -2.402 305 HZ2 LYS 8 HZ2 LYS 8 -4.381 3.029 -3.245 306 HZ3 LYS 8 HZ3 LYS 8 -3.828 3.070 -1.647 307 H ARG 9 H ARG 9 -3.611 1.506 2.948 308 HA ARG 9 HA ARG 9 -1.757 3.793 2.887 309 HB2 ARG 9 HB2 ARG 9 -1.838 1.569 4.803 310 HB3 ARG 9 HB3 ARG 9 -0.261 1.804 4.063 311 HG2 ARG 9 HG2 ARG 9 -1.115 4.363 4.759 312 HG3 ARG 9 HG3 ARG 9 -1.574 3.336 6.118 313 HD2 ARG 9 HD2 ARG 9 1.173 3.641 4.922 314 HD3 ARG 9 HD3 ARG 9 0.649 4.151 6.513 315 HE ARG 9 HE ARG 9 1.380 1.543 5.654 316 HH11 ARG 9 HH11 ARG 9 -0.363 3.379 8.093 317 HH12 ARG 9 HH12 ARG 9 0.020 2.250 9.349 318 HH21 ARG 9 HH21 ARG 9 1.899 0.233 7.211 319 HH22 ARG 9 HH22 ARG 9 1.329 0.394 8.840 320 H CYS 10 H CYS 10 -0.204 3.682 1.307 321 HA CYS 10 HA CYS 10 0.222 1.086 0.008 322 HB2 CYS 10 HB2 CYS 10 -1.515 2.114 -1.319 323 HB3 CYS 10 HB3 CYS 10 -0.614 3.616 -1.420 324 H PHE 11 H PHE 11 2.306 0.694 0.080 325 HA PHE 11 HA PHE 11 4.148 2.903 -0.518 326 HB2 PHE 11 HB2 PHE 11 5.897 1.835 0.773 327 HB3 PHE 11 HB3 PHE 11 4.447 1.913 1.782 328 HD1 PHE 11 HD1 PHE 11 6.462 -0.293 -0.397 329 HD2 PHE 11 HD2 PHE 11 3.558 -0.063 2.726 330 HE1 PHE 11 HE1 PHE 11 6.695 -2.723 -0.002 331 HE2 PHE 11 HE2 PHE 11 3.779 -2.491 3.118 332 HZ PHE 11 HZ PHE 11 5.350 -3.823 1.754 333 H TYR 12 H TYR 12 5.428 2.665 -2.271 334 HA TYR 12 HA TYR 12 5.024 0.423 -4.036 335 HB2 TYR 12 HB2 TYR 12 6.441 3.045 -4.185 336 HB3 TYR 12 HB3 TYR 12 7.090 1.756 -5.187 337 HD1 TYR 12 HD2 TYR 12 4.131 3.889 -4.584 338 HD2 TYR 12 HD1 TYR 12 5.817 0.885 -7.075 339 HE1 TYR 12 HE2 TYR 12 2.398 4.291 -6.220 340 HE2 TYR 12 HE1 TYR 12 4.155 1.279 -8.737 341 HH TYR 12 HH TYR 12 1.657 2.210 -8.665 342 H PHE 13 H PHE 13 6.615 -1.179 -4.484 343 HA PHE 13 HA PHE 13 8.994 -1.048 -2.715 344 HB2 PHE 13 HB2 PHE 13 7.244 -2.793 -2.018 345 HB3 PHE 13 HB3 PHE 13 7.705 -3.669 -3.484 346 HD1 PHE 13 HD2 PHE 13 9.034 -2.226 -0.365 347 HD2 PHE 13 HD1 PHE 13 9.679 -5.008 -3.510 348 HE1 PHE 13 HE2 PHE 13 10.909 -3.182 0.880 349 HE2 PHE 13 HE1 PHE 13 11.552 -6.003 -2.290 350 HZ PHE 13 HZ PHE 13 12.184 -5.089 -0.068 351 H ASN 14 H ASN 14 10.720 -0.869 -3.824 352 HA ASN 14 HA ASN 14 10.718 -1.662 -6.593 353 HB2 ASN 14 HB2 ASN 14 11.676 0.545 -5.854 354 HB3 ASN 14 HB3 ASN 14 12.954 -0.310 -5.106 355 HD21 ASN 14 HD21 ASN 14 11.414 -0.904 -8.171 356 HD22 ASN 14 HD22 ASN 14 12.825 -0.712 -9.138 357 H ARG 15 H ARG 15 10.503 -3.922 -5.793 358 HA ARG 15 HA ARG 15 12.167 -5.323 -4.234 359 HB2 ARG 15 HB2 ARG 15 10.816 -6.923 -4.876 360 HB3 ARG 15 HB3 ARG 15 10.358 -6.043 -6.330 361 HG2 ARG 15 HG2 ARG 15 12.309 -6.978 -7.493 362 HG3 ARG 15 HG3 ARG 15 12.713 -7.894 -6.037 363 HD2 ARG 15 HD2 ARG 15 11.506 -9.294 -7.640 364 HD3 ARG 15 HD3 ARG 15 10.560 -9.055 -6.169 365 HE ARG 15 HE ARG 15 8.966 -8.004 -7.416 366 HH11 ARG 15 HH11 ARG 15 11.934 -8.054 -9.275 367 HH12 ARG 15 HH12 ARG 15 11.197 -7.401 -10.697 368 HH21 ARG 15 HH21 ARG 15 8.003 -7.141 -9.291 369 HH22 ARG 15 HH22 ARG 15 8.965 -6.882 -10.708 370 H ILE 16 H ILE 16 13.283 -3.910 -7.268 371 HA ILE 16 HA ILE 16 15.450 -5.571 -7.706 372 HB ILE 16 HB ILE 16 14.873 -2.721 -8.272 373 HG12 ILE 16 HG12 ILE 16 13.916 -3.542 -10.085 374 HG13 ILE 16 HG13 ILE 16 15.392 -4.323 -10.531 375 HG21 ILE 16 HG21 ILE 16 17.263 -4.397 -8.839 376 HG22 ILE 16 HG22 ILE 16 17.185 -2.939 -7.839 377 HG23 ILE 16 HG23 ILE 16 16.961 -2.830 -9.603 378 HD11 ILE 16 HD11 ILE 16 14.619 -6.353 -10.022 379 HD12 ILE 16 HD12 ILE 16 13.041 -5.571 -10.197 380 HD13 ILE 16 HD13 ILE 16 13.764 -5.777 -8.593 381 H THR 17 H THR 17 14.928 -2.581 -6.067 382 HA THR 17 HA THR 17 17.379 -2.781 -4.627 383 HB THR 17 HB THR 17 17.406 -0.468 -4.472 384 HG1 THR 17 HG1 THR 17 15.113 -0.359 -3.904 385 HG21 THR 17 HG21 THR 17 17.829 -1.459 -6.661 386 HG22 THR 17 HG22 THR 17 17.248 0.209 -6.751 387 HG23 THR 17 HG23 THR 17 16.149 -1.148 -7.115 388 H GLY 18 H GLY 18 14.715 -4.052 -4.250 389 HA2 GLY 18 HA2 GLY 18 13.040 -4.302 -2.710 390 HA3 GLY 18 HA3 GLY 18 14.367 -4.540 -1.625 391 H LYS 19 H LYS 19 13.814 -1.567 -3.244 392 HA LYS 19 HA LYS 19 13.737 0.024 -0.937 393 HB2 LYS 19 HB2 LYS 19 13.588 0.384 -3.810 394 HB3 LYS 19 HB3 LYS 19 12.770 1.608 -2.844 395 HG2 LYS 19 HG2 LYS 19 14.817 1.937 -1.597 396 HG3 LYS 19 HG3 LYS 19 15.630 0.774 -2.678 397 HD2 LYS 19 HD2 LYS 19 15.866 2.317 -4.289 398 HD3 LYS 19 HD3 LYS 19 14.200 2.871 -4.115 399 HE2 LYS 19 HE2 LYS 19 15.108 3.994 -1.938 400 HE3 LYS 19 HE3 LYS 19 16.672 3.820 -2.733 401 HZ1 LYS 19 HZ1 LYS 19 15.614 4.977 -4.687 402 HZ2 LYS 19 HZ2 LYS 19 15.871 5.934 -3.316 403 HZ3 LYS 19 HZ3 LYS 19 14.320 5.359 -3.665 404 H ARG 20 H ARG 20 12.107 1.508 -0.335 405 HA ARG 20 HA ARG 20 9.421 0.903 -1.173 406 HB2 ARG 20 HB2 ARG 20 8.498 0.635 0.969 407 HB3 ARG 20 HB3 ARG 20 9.922 -0.441 0.840 408 HG2 ARG 20 HG2 ARG 20 10.640 0.403 2.758 409 HG3 ARG 20 HG3 ARG 20 10.912 1.926 1.913 410 HD2 ARG 20 HD2 ARG 20 9.550 2.236 3.926 411 HD3 ARG 20 HD3 ARG 20 8.661 2.660 2.465 412 HE ARG 20 HE ARG 20 7.197 0.953 2.895 413 HH11 ARG 20 HH11 ARG 20 10.034 0.509 4.903 414 HH12 ARG 20 HH12 ARG 20 9.326 -0.770 5.830 415 HH21 ARG 20 HH21 ARG 20 6.274 -0.731 4.120 416 HH22 ARG 20 HH22 ARG 20 7.193 -1.474 5.386 417 H GLN 21 H GLN 21 8.083 2.501 -1.242 418 HA GLN 21 HA GLN 21 8.516 4.960 0.184 419 HB2 GLN 21 HB2 GLN 21 8.147 5.756 -2.450 420 HB3 GLN 21 HB3 GLN 21 9.511 6.088 -1.433 421 HG2 GLN 21 HG2 GLN 21 10.370 3.834 -2.171 422 HG3 GLN 21 HG3 GLN 21 9.092 3.858 -3.344 423 HE21 GLN 21 HE21 GLN 21 9.035 6.025 -4.569 424 HE22 GLN 21 HE22 GLN 21 10.558 6.535 -5.169 425 H PHE 22 H PHE 22 6.542 6.202 0.226 426 HA PHE 22 HA PHE 22 4.202 4.676 -0.573 427 HB2 PHE 22 HB2 PHE 22 4.523 7.403 0.696 428 HB3 PHE 22 HB3 PHE 22 2.963 6.654 0.388 429 HD1 PHE 22 HD2 PHE 22 2.808 4.144 1.378 430 HD2 PHE 22 HD1 PHE 22 5.371 7.217 2.831 431 HE1 PHE 22 HE2 PHE 22 2.937 3.003 3.543 432 HE2 PHE 22 HE1 PHE 22 5.507 6.083 5.000 433 HZ PHE 22 HZ PHE 22 4.287 3.982 5.340 434 H GLU 23 H GLU 23 5.842 5.418 -2.719 435 HA GLU 23 HA GLU 23 4.163 7.149 -4.360 436 HB2 GLU 23 HB2 GLU 23 5.707 8.752 -4.199 437 HB3 GLU 23 HB3 GLU 23 6.776 7.685 -3.277 438 HG2 GLU 23 HG2 GLU 23 7.575 6.710 -5.407 439 HG3 GLU 23 HG3 GLU 23 6.583 7.883 -6.271 440 H ARG 24 H ARG 24 4.508 7.049 -6.525 441 HA ARG 24 HA ARG 24 5.777 4.602 -7.523 442 HB2 ARG 24 HB2 ARG 24 3.475 4.889 -8.236 443 HB3 ARG 24 HB3 ARG 24 3.815 6.509 -8.822 444 HG2 ARG 24 HG2 ARG 24 5.293 5.654 -10.466 445 HG3 ARG 24 HG3 ARG 24 5.077 4.011 -9.863 446 HD2 ARG 24 HD2 ARG 24 2.639 5.477 -10.550 447 HD3 ARG 24 HD3 ARG 24 3.663 5.032 -11.917 448 HE ARG 24 HE ARG 24 2.192 3.276 -10.151 449 HH11 ARG 24 HH11 ARG 24 4.591 3.389 -12.683 450 HH12 ARG 24 HH12 ARG 24 4.287 1.776 -13.202 451 HH21 ARG 24 HH21 ARG 24 1.823 1.153 -10.817 452 HH22 ARG 24 HH22 ARG 24 2.729 0.504 -12.143 453 HA PRO 25 HA PRO 25 9.216 7.429 -7.610 454 HB2 PRO 25 HB2 PRO 25 10.448 5.220 -8.953 455 HB3 PRO 25 HB3 PRO 25 10.914 6.073 -7.509 456 HG2 PRO 25 HG2 PRO 25 9.804 3.648 -7.438 457 HG3 PRO 25 HG3 PRO 25 9.612 4.769 -6.175 458 HD2 PRO 25 HD2 PRO 25 7.623 3.893 -8.113 459 HD3 PRO 25 HD3 PRO 25 7.456 4.583 -6.493 460 H SER 26 H SER 26 10.207 8.673 -8.852 461 HA SER 26 HA SER 26 9.228 9.673 -11.115 462 HB2 SER 26 HB2 SER 26 10.854 10.820 -9.825 463 HB3 SER 26 HB3 SER 26 12.053 9.590 -10.249 464 HG SER 26 HG SER 26 11.014 11.694 -11.784 465 H ASP 27 H ASP 27 11.494 7.250 -10.759 466 HA ASP 27 HA ASP 27 12.151 5.557 -12.106 467 HB2 ASP 27 HB2 ASP 27 10.354 4.897 -13.102 468 HB3 ASP 27 HB3 ASP 27 9.709 6.535 -13.099 Start of MODEL 17 1 H1 LYS 1 H1 LYS 1 4.969 3.538 -17.248 2 H2 LYS 1 H2 LYS 1 5.053 2.764 -15.719 3 H3 LYS 1 H3 LYS 1 6.438 2.825 -16.730 4 HA LYS 1 HA LYS 1 6.361 5.241 -16.561 5 HB2 LYS 1 HB2 LYS 1 3.969 5.343 -15.936 6 HB3 LYS 1 HB3 LYS 1 4.373 4.628 -14.382 7 HG2 LYS 1 HG2 LYS 1 4.258 6.851 -13.842 8 HG3 LYS 1 HG3 LYS 1 5.981 6.671 -14.175 9 HD2 LYS 1 HD2 LYS 1 4.386 7.321 -16.539 10 HD3 LYS 1 HD3 LYS 1 4.335 8.560 -15.287 11 HE2 LYS 1 HE2 LYS 1 6.999 7.478 -15.819 12 HE3 LYS 1 HE3 LYS 1 6.260 8.305 -17.188 13 HZ1 LYS 1 HZ1 LYS 1 6.683 9.433 -14.473 14 HZ2 LYS 1 HZ2 LYS 1 5.879 10.228 -15.732 15 HZ3 LYS 1 HZ3 LYS 1 7.523 9.858 -15.879 16 H LEU 2 H LEU 2 5.845 3.179 -13.779 17 HA LEU 2 HA LEU 2 7.759 4.136 -12.049 18 HB2 LEU 2 HB2 LEU 2 6.609 1.439 -12.508 19 HB3 LEU 2 HB3 LEU 2 7.827 1.726 -11.298 20 HG LEU 2 HG LEU 2 5.133 3.042 -11.373 21 HD11 LEU 2 HD11 LEU 2 5.427 1.492 -9.103 22 HD12 LEU 2 HD12 LEU 2 6.165 0.539 -10.395 23 HD13 LEU 2 HD13 LEU 2 4.498 1.090 -10.560 24 HD21 LEU 2 HD21 LEU 2 7.564 3.652 -9.946 25 HD22 LEU 2 HD22 LEU 2 6.280 3.170 -8.838 26 HD23 LEU 2 HD23 LEU 2 6.026 4.520 -9.964 27 HA PRO 3 HA PRO 3 11.787 2.787 -13.359 28 HB2 PRO 3 HB2 PRO 3 12.422 2.548 -10.572 29 HB3 PRO 3 HB3 PRO 3 13.036 3.696 -11.754 30 HG2 PRO 3 HG2 PRO 3 11.389 4.481 -9.793 31 HG3 PRO 3 HG3 PRO 3 11.321 5.186 -11.399 32 HD2 PRO 3 HD2 PRO 3 9.537 3.091 -10.211 33 HD3 PRO 3 HD3 PRO 3 9.143 4.552 -11.113 34 HA PRO 4 HA PRO 4 12.036 -1.541 -13.200 35 HB2 PRO 4 HB2 PRO 4 14.717 -0.969 -12.223 36 HB3 PRO 4 HB3 PRO 4 14.178 -2.130 -13.400 37 HG2 PRO 4 HG2 PRO 4 15.128 -0.005 -14.372 38 HG3 PRO 4 HG3 PRO 4 13.504 -0.424 -14.885 39 HD2 PRO 4 HD2 PRO 4 14.280 1.448 -12.790 40 HD3 PRO 4 HD3 PRO 4 13.225 1.689 -14.153 41 H GLY 5 H GLY 5 11.640 -3.133 -12.001 42 HA2 GLY 5 HA2 GLY 5 11.314 -4.424 -10.149 43 HA3 GLY 5 HA3 GLY 5 12.457 -3.384 -9.339 44 H TRP 6 H TRP 6 10.504 -1.022 -10.111 45 HA TRP 6 HA TRP 6 9.130 -1.071 -7.614 46 HB2 TRP 6 HB2 TRP 6 9.404 0.839 -9.830 47 HB3 TRP 6 HB3 TRP 6 8.076 1.088 -8.750 48 HD1 TRP 6 HD1 TRP 6 11.179 2.336 -9.387 49 HE1 TRP 6 HE1 TRP 6 12.426 3.292 -7.397 50 HE3 TRP 6 HE3 TRP 6 8.345 0.378 -5.837 51 HZ2 TRP 6 HZ2 TRP 6 12.099 3.252 -4.565 52 HZ3 TRP 6 HZ3 TRP 6 8.824 0.871 -3.528 53 HH2 TRP 6 HH2 TRP 6 10.586 2.255 -2.896 54 H GLU 7 H GLU 7 6.976 -1.080 -7.223 55 HA GLU 7 HA GLU 7 5.042 -1.259 -9.334 56 HB2 GLU 7 HB2 GLU 7 5.579 -3.626 -7.513 57 HB3 GLU 7 HB3 GLU 7 4.042 -3.400 -8.331 58 HG2 GLU 7 HG2 GLU 7 6.666 -3.568 -9.790 59 HG3 GLU 7 HG3 GLU 7 5.667 -4.971 -9.426 60 H LYS 8 H LYS 8 3.348 -0.123 -8.697 61 HA LYS 8 HA LYS 8 3.240 0.879 -6.024 62 HB2 LYS 8 HB2 LYS 8 2.481 2.122 -8.212 63 HB3 LYS 8 HB3 LYS 8 1.031 1.110 -8.139 64 HG2 LYS 8 HG2 LYS 8 1.414 2.310 -5.572 65 HG3 LYS 8 HG3 LYS 8 1.503 3.556 -6.816 66 HD2 LYS 8 HD2 LYS 8 -0.691 1.511 -6.805 67 HD3 LYS 8 HD3 LYS 8 -0.800 2.984 -5.840 68 HE2 LYS 8 HE2 LYS 8 -1.581 4.022 -7.646 69 HE3 LYS 8 HE3 LYS 8 0.011 3.827 -8.376 70 HZ1 LYS 8 HZ1 LYS 8 -0.780 1.604 -9.163 71 HZ2 LYS 8 HZ2 LYS 8 -1.561 2.926 -9.871 72 HZ3 LYS 8 HZ3 LYS 8 -2.336 2.038 -8.658 73 H ARG 9 H ARG 9 2.142 0.052 -4.331 74 HA ARG 9 HA ARG 9 -0.019 -1.893 -4.826 75 HB2 ARG 9 HB2 ARG 9 2.515 -2.424 -3.642 76 HB3 ARG 9 HB3 ARG 9 1.303 -2.531 -2.373 77 HG2 ARG 9 HG2 ARG 9 1.412 -4.693 -3.186 78 HG3 ARG 9 HG3 ARG 9 0.012 -4.024 -4.025 79 HD2 ARG 9 HD2 ARG 9 1.517 -5.314 -5.518 80 HD3 ARG 9 HD3 ARG 9 1.350 -3.642 -6.010 81 HE ARG 9 HE ARG 9 3.524 -3.327 -5.589 82 HH11 ARG 9 HH11 ARG 9 2.580 -6.359 -4.083 83 HH12 ARG 9 HH12 ARG 9 4.210 -6.938 -4.011 84 HH21 ARG 9 HH21 ARG 9 5.486 -4.091 -5.570 85 HH22 ARG 9 HH22 ARG 9 5.920 -5.611 -4.861 86 H CYS 10 H CYS 10 -1.735 -1.894 -3.339 87 HA CYS 10 HA CYS 10 -1.623 0.147 -1.221 88 HB2 CYS 10 HB2 CYS 10 -4.044 -0.175 -2.993 89 HB3 CYS 10 HB3 CYS 10 -3.748 1.067 -1.787 90 H PHE 11 H PHE 11 -1.885 -0.902 0.623 91 HA PHE 11 HA PHE 11 -3.935 -3.009 0.739 92 HB2 PHE 11 HB2 PHE 11 -2.734 -4.084 2.542 93 HB3 PHE 11 HB3 PHE 11 -1.575 -3.761 1.249 94 HD1 PHE 11 HD1 PHE 11 -2.788 -2.681 4.544 95 HD2 PHE 11 HD2 PHE 11 0.299 -2.340 1.636 96 HE1 PHE 11 HE1 PHE 11 -1.363 -1.527 6.193 97 HE2 PHE 11 HE2 PHE 11 1.723 -1.181 3.275 98 HZ PHE 11 HZ PHE 11 0.893 -0.774 5.556 99 H TYR 12 H TYR 12 -5.558 -2.808 2.231 100 HA TYR 12 HA TYR 12 -5.865 -0.260 3.571 101 HB2 TYR 12 HB2 TYR 12 -7.619 -2.642 3.078 102 HB3 TYR 12 HB3 TYR 12 -7.993 -1.634 4.471 103 HD1 TYR 12 HD2 TYR 12 -7.825 -1.735 0.794 104 HD2 TYR 12 HD1 TYR 12 -8.777 0.685 4.163 105 HE1 TYR 12 HE2 TYR 12 -8.901 -0.173 -0.665 106 HE2 TYR 12 HE1 TYR 12 -9.834 2.242 2.728 107 HH TYR 12 HH TYR 12 -10.009 1.793 -0.808 108 H PHE 13 H PHE 13 -5.797 -0.001 5.851 109 HA PHE 13 HA PHE 13 -5.003 -2.431 7.383 110 HB2 PHE 13 HB2 PHE 13 -3.092 -0.748 6.891 111 HB3 PHE 13 HB3 PHE 13 -3.902 0.291 8.064 112 HD1 PHE 13 HD1 PHE 13 -2.126 -2.847 7.566 113 HD2 PHE 13 HD2 PHE 13 -3.955 -0.309 10.437 114 HE1 PHE 13 HE1 PHE 13 -1.025 -4.083 9.358 115 HE2 PHE 13 HE2 PHE 13 -2.820 -1.480 12.237 116 HZ PHE 13 HZ PHE 13 -1.350 -3.405 11.714 117 H ASN 14 H ASN 14 -6.503 -2.818 8.816 118 HA ASN 14 HA ASN 14 -8.077 -0.624 9.818 119 HB2 ASN 14 HB2 ASN 14 -9.368 -2.591 10.957 120 HB3 ASN 14 HB3 ASN 14 -9.622 -2.239 9.281 121 HD21 ASN 14 HD21 ASN 14 -10.433 -4.582 10.045 122 HD22 ASN 14 HD22 ASN 14 -9.359 -5.830 9.525 123 H ARG 15 H ARG 15 -6.351 0.161 11.140 124 HA ARG 15 HA ARG 15 -4.807 -1.193 12.881 125 HB2 ARG 15 HB2 ARG 15 -4.164 0.939 12.748 126 HB3 ARG 15 HB3 ARG 15 -5.804 1.582 12.793 127 HG2 ARG 15 HG2 ARG 15 -5.291 2.255 14.838 128 HG3 ARG 15 HG3 ARG 15 -5.505 0.573 15.312 129 HD2 ARG 15 HD2 ARG 15 -3.392 1.266 16.171 130 HD3 ARG 15 HD3 ARG 15 -3.071 0.218 14.789 131 HE ARG 15 HE ARG 15 -2.143 1.995 13.686 132 HH11 ARG 15 HH11 ARG 15 -3.914 3.210 16.454 133 HH12 ARG 15 HH12 ARG 15 -3.310 4.823 16.284 134 HH21 ARG 15 HH21 ARG 15 -1.352 4.122 13.471 135 HH22 ARG 15 HH22 ARG 15 -1.857 5.341 14.592 136 H ILE 16 H ILE 16 -8.282 -1.032 13.268 137 HA ILE 16 HA ILE 16 -8.417 -1.301 16.030 138 HB ILE 16 HB ILE 16 -10.156 -2.121 13.776 139 HG12 ILE 16 HG12 ILE 16 -10.915 -0.060 13.982 140 HG13 ILE 16 HG13 ILE 16 -11.356 -0.387 15.621 141 HG21 ILE 16 HG21 ILE 16 -10.440 -2.474 16.715 142 HG22 ILE 16 HG22 ILE 16 -10.324 -3.746 15.490 143 HG23 ILE 16 HG23 ILE 16 -11.765 -2.701 15.565 144 HD11 ILE 16 HD11 ILE 16 -9.743 1.604 14.827 145 HD12 ILE 16 HD12 ILE 16 -8.563 0.356 15.235 146 HD13 ILE 16 HD13 ILE 16 -9.727 0.894 16.443 147 H THR 17 H THR 17 -8.517 -3.467 13.341 148 HA THR 17 HA THR 17 -7.810 -5.703 14.965 149 HB THR 17 HB THR 17 -8.933 -7.073 13.543 150 HG1 THR 17 HG1 THR 17 -7.758 -6.363 11.678 151 HG21 THR 17 HG21 THR 17 -10.359 -5.365 14.591 152 HG22 THR 17 HG22 THR 17 -11.043 -6.100 13.136 153 HG23 THR 17 HG23 THR 17 -10.343 -4.463 13.073 154 H GLY 18 H GLY 18 -6.287 -3.419 13.812 155 HA2 GLY 18 HA2 GLY 18 -4.524 -2.965 12.422 156 HA3 GLY 18 HA3 GLY 18 -3.759 -4.103 13.486 157 H LYS 19 H LYS 19 -6.332 -4.860 11.227 158 HA LYS 19 HA LYS 19 -4.698 -6.869 10.009 159 HB2 LYS 19 HB2 LYS 19 -7.505 -6.116 10.050 160 HB3 LYS 19 HB3 LYS 19 -6.921 -6.933 8.600 161 HG2 LYS 19 HG2 LYS 19 -5.928 -8.603 10.155 162 HG3 LYS 19 HG3 LYS 19 -6.936 -7.853 11.422 163 HD2 LYS 19 HD2 LYS 19 -8.907 -8.575 10.434 164 HD3 LYS 19 HD3 LYS 19 -8.173 -8.735 8.837 165 HE2 LYS 19 HE2 LYS 19 -8.338 -10.939 9.396 166 HE3 LYS 19 HE3 LYS 19 -6.747 -10.586 10.069 167 HZ1 LYS 19 HZ1 LYS 19 -9.262 -10.471 11.643 168 HZ2 LYS 19 HZ2 LYS 19 -7.679 -10.380 12.233 169 HZ3 LYS 19 HZ3 LYS 19 -8.255 -11.829 11.579 170 H ARG 20 H ARG 20 -4.529 -7.169 7.757 171 HA ARG 20 HA ARG 20 -4.647 -4.712 6.211 172 HB2 ARG 20 HB2 ARG 20 -2.512 -5.053 5.213 173 HB3 ARG 20 HB3 ARG 20 -2.352 -5.108 6.990 174 HG2 ARG 20 HG2 ARG 20 -2.683 -7.672 5.530 175 HG3 ARG 20 HG3 ARG 20 -1.124 -6.852 5.452 176 HD2 ARG 20 HD2 ARG 20 -0.935 -6.872 7.850 177 HD3 ARG 20 HD3 ARG 20 -2.567 -7.516 8.014 178 HE ARG 20 HE ARG 20 -1.793 -9.613 7.403 179 HH11 ARG 20 HH11 ARG 20 0.778 -7.250 7.110 180 HH12 ARG 20 HH12 ARG 20 2.023 -8.444 6.974 181 HH21 ARG 20 HH21 ARG 20 -0.147 -11.177 7.222 182 HH22 ARG 20 HH22 ARG 20 1.499 -10.673 7.036 183 H GLN 21 H GLN 21 -5.181 -4.850 4.177 184 HA GLN 21 HA GLN 21 -5.325 -7.392 2.831 185 HB2 GLN 21 HB2 GLN 21 -7.802 -6.255 2.371 186 HB3 GLN 21 HB3 GLN 21 -7.474 -7.756 3.172 187 HG2 GLN 21 HG2 GLN 21 -7.226 -6.423 5.264 188 HG3 GLN 21 HG3 GLN 21 -7.780 -5.048 4.363 189 HE21 GLN 21 HE21 GLN 21 -9.922 -5.310 3.313 190 HE22 GLN 21 HE22 GLN 21 -11.106 -6.193 4.181 191 H PHE 22 H PHE 22 -5.411 -7.102 0.543 192 HA PHE 22 HA PHE 22 -4.739 -4.398 -0.325 193 HB2 PHE 22 HB2 PHE 22 -4.879 -7.076 -1.701 194 HB3 PHE 22 HB3 PHE 22 -4.689 -5.591 -2.621 195 HD1 PHE 22 HD2 PHE 22 -2.726 -4.033 -1.792 196 HD2 PHE 22 HD1 PHE 22 -2.974 -8.197 -1.020 197 HE1 PHE 22 HE2 PHE 22 -0.315 -4.099 -1.409 198 HE2 PHE 22 HE1 PHE 22 -0.563 -8.273 -0.633 199 HZ PHE 22 HZ PHE 22 0.751 -6.221 -0.831 200 H GLU 23 H GLU 23 -7.287 -4.694 0.760 201 HA GLU 23 HA GLU 23 -9.094 -4.098 -1.443 202 HB2 GLU 23 HB2 GLU 23 -10.156 -6.017 -1.016 203 HB3 GLU 23 HB3 GLU 23 -9.145 -6.321 0.407 204 HG2 GLU 23 HG2 GLU 23 -10.600 -4.850 1.737 205 HG3 GLU 23 HG3 GLU 23 -11.618 -4.611 0.314 206 H ARG 24 H ARG 24 -10.779 -2.892 -1.038 207 HA ARG 24 HA ARG 24 -10.663 -1.181 1.306 208 HB2 ARG 24 HB2 ARG 24 -10.991 -0.090 -0.803 209 HB3 ARG 24 HB3 ARG 24 -12.361 -1.132 -1.174 210 HG2 ARG 24 HG2 ARG 24 -13.681 -0.154 0.442 211 HG3 ARG 24 HG3 ARG 24 -12.298 0.624 1.223 212 HD2 ARG 24 HD2 ARG 24 -12.148 1.591 -1.316 213 HD3 ARG 24 HD3 ARG 24 -13.893 1.497 -1.077 214 HE ARG 24 HE ARG 24 -12.081 3.347 0.099 215 HH11 ARG 24 HH11 ARG 24 -15.086 1.644 0.679 216 HH12 ARG 24 HH12 ARG 24 -15.688 2.836 1.781 217 HH21 ARG 24 HH21 ARG 24 -12.883 4.913 1.547 218 HH22 ARG 24 HH22 ARG 24 -14.441 4.692 2.269 219 HA PRO 25 HA PRO 25 -13.166 -4.397 3.128 220 HB2 PRO 25 HB2 PRO 25 -12.847 -2.785 5.431 221 HB3 PRO 25 HB3 PRO 25 -12.339 -4.431 5.154 222 HG2 PRO 25 HG2 PRO 25 -10.556 -2.479 5.334 223 HG3 PRO 25 HG3 PRO 25 -10.353 -3.771 4.214 224 HD2 PRO 25 HD2 PRO 25 -11.311 -0.990 3.632 225 HD3 PRO 25 HD3 PRO 25 -10.166 -2.039 2.759 226 H SER 26 H SER 26 -15.117 -4.650 3.890 227 HA SER 26 HA SER 26 -16.949 -2.624 3.302 228 HB2 SER 26 HB2 SER 26 -18.653 -4.071 3.760 229 HB3 SER 26 HB3 SER 26 -17.384 -5.066 3.017 230 HG SER 26 HG SER 26 -17.527 -6.257 4.746 231 H ASP 27 H ASP 27 -18.189 -1.639 4.365 232 HA ASP 27 HA ASP 27 -17.426 -0.324 6.597 233 HB2 ASP 27 HB2 ASP 27 -18.966 1.025 5.899 234 HB3 ASP 27 HB3 ASP 27 -19.352 -0.172 4.664 235 H1 LYS 1 H1 LYS 1 -18.283 5.641 4.795 236 H2 LYS 1 H2 LYS 1 -18.112 4.940 3.238 237 H3 LYS 1 H3 LYS 1 -18.078 6.646 3.421 238 HA LYS 1 HA LYS 1 -15.901 5.731 3.066 239 HB2 LYS 1 HB2 LYS 1 -14.850 6.971 4.834 240 HB3 LYS 1 HB3 LYS 1 -16.348 7.790 4.418 241 HG2 LYS 1 HG2 LYS 1 -17.092 7.625 6.498 242 HG3 LYS 1 HG3 LYS 1 -16.799 5.886 6.528 243 HD2 LYS 1 HD2 LYS 1 -14.482 6.257 7.139 244 HD3 LYS 1 HD3 LYS 1 -14.702 8.002 7.014 245 HE2 LYS 1 HE2 LYS 1 -16.058 6.160 8.971 246 HE3 LYS 1 HE3 LYS 1 -14.749 7.281 9.328 247 HZ1 LYS 1 HZ1 LYS 1 -16.400 9.026 8.390 248 HZ2 LYS 1 HZ2 LYS 1 -16.587 8.469 9.976 249 HZ3 LYS 1 HZ3 LYS 1 -17.573 7.858 8.745 250 H LEU 2 H LEU 2 -13.990 4.826 4.405 251 HA LEU 2 HA LEU 2 -14.223 2.126 4.784 252 HB2 LEU 2 HB2 LEU 2 -12.377 4.156 5.918 253 HB3 LEU 2 HB3 LEU 2 -12.251 2.467 6.319 254 HG LEU 2 HG LEU 2 -12.030 3.574 3.541 255 HD11 LEU 2 HD11 LEU 2 -10.032 4.184 4.261 256 HD12 LEU 2 HD12 LEU 2 -9.638 2.452 4.331 257 HD13 LEU 2 HD13 LEU 2 -10.222 3.295 5.770 258 HD21 LEU 2 HD21 LEU 2 -12.200 1.469 2.856 259 HD22 LEU 2 HD22 LEU 2 -12.476 0.934 4.513 260 HD23 LEU 2 HD23 LEU 2 -10.832 1.039 3.885 261 HA PRO 3 HA PRO 3 -15.924 1.222 8.785 262 HB2 PRO 3 HB2 PRO 3 -14.112 -1.005 8.863 263 HB3 PRO 3 HB3 PRO 3 -15.867 -1.004 8.753 264 HG2 PRO 3 HG2 PRO 3 -14.353 -1.737 6.669 265 HG3 PRO 3 HG3 PRO 3 -15.859 -0.860 6.459 266 HD2 PRO 3 HD2 PRO 3 -13.056 0.201 6.363 267 HD3 PRO 3 HD3 PRO 3 -14.426 0.479 5.289 268 HA PRO 4 HA PRO 4 -13.320 2.752 11.893 269 HB2 PRO 4 HB2 PRO 4 -14.092 0.280 13.223 270 HB3 PRO 4 HB3 PRO 4 -13.982 1.899 13.846 271 HG2 PRO 4 HG2 PRO 4 -16.315 1.162 13.233 272 HG3 PRO 4 HG3 PRO 4 -15.748 2.633 12.464 273 HD2 PRO 4 HD2 PRO 4 -15.752 -0.065 11.358 274 HD3 PRO 4 HD3 PRO 4 -16.400 1.405 10.688 275 H GLY 5 H GLY 5 -11.379 2.796 12.484 276 HA2 GLY 5 HA2 GLY 5 -9.201 2.206 12.823 277 HA3 GLY 5 HA3 GLY 5 -9.735 0.547 12.753 278 H TRP 6 H TRP 6 -10.881 1.226 9.909 279 HA TRP 6 HA TRP 6 -8.576 0.317 8.514 280 HB2 TRP 6 HB2 TRP 6 -11.357 0.935 7.808 281 HB3 TRP 6 HB3 TRP 6 -10.231 0.866 6.497 282 HD1 TRP 6 HD1 TRP 6 -12.681 -1.012 7.885 283 HE1 TRP 6 HE1 TRP 6 -12.406 -3.527 7.727 284 HE3 TRP 6 HE3 TRP 6 -7.871 -1.072 6.669 285 HZ2 TRP 6 HZ2 TRP 6 -10.302 -5.322 7.026 286 HZ3 TRP 6 HZ3 TRP 6 -6.775 -3.184 6.244 287 HH2 TRP 6 HH2 TRP 6 -7.917 -5.222 6.382 288 H GLU 7 H GLU 7 -7.552 1.278 6.793 289 HA GLU 7 HA GLU 7 -8.039 3.966 6.004 290 HB2 GLU 7 HB2 GLU 7 -5.766 4.830 6.636 291 HB3 GLU 7 HB3 GLU 7 -6.832 4.559 8.005 292 HG2 GLU 7 HG2 GLU 7 -5.627 2.717 8.744 293 HG3 GLU 7 HG3 GLU 7 -4.864 2.463 7.174 294 H LYS 8 H LYS 8 -7.592 4.029 3.910 295 HA LYS 8 HA LYS 8 -6.263 1.804 2.695 296 HB2 LYS 8 HB2 LYS 8 -8.251 3.195 1.678 297 HB3 LYS 8 HB3 LYS 8 -7.031 4.423 1.301 298 HG2 LYS 8 HG2 LYS 8 -5.766 2.667 0.021 299 HG3 LYS 8 HG3 LYS 8 -7.161 1.611 0.232 300 HD2 LYS 8 HD2 LYS 8 -8.515 3.564 -0.771 301 HD3 LYS 8 HD3 LYS 8 -6.949 4.171 -1.313 302 HE2 LYS 8 HE2 LYS 8 -6.547 2.010 -2.447 303 HE3 LYS 8 HE3 LYS 8 -8.162 1.489 -1.970 304 HZ1 LYS 8 HZ1 LYS 8 -9.150 2.860 -3.470 305 HZ2 LYS 8 HZ2 LYS 8 -7.703 2.578 -4.298 306 HZ3 LYS 8 HZ3 LYS 8 -7.913 4.014 -3.431 307 H ARG 9 H ARG 9 -4.134 1.641 2.345 308 HA ARG 9 HA ARG 9 -2.509 4.095 2.124 309 HB2 ARG 9 HB2 ARG 9 -1.733 1.547 3.558 310 HB3 ARG 9 HB3 ARG 9 -0.693 2.945 3.330 311 HG2 ARG 9 HG2 ARG 9 -3.257 2.895 4.911 312 HG3 ARG 9 HG3 ARG 9 -1.625 2.877 5.578 313 HD2 ARG 9 HD2 ARG 9 -3.026 5.108 4.140 314 HD3 ARG 9 HD3 ARG 9 -2.305 5.122 5.734 315 HE ARG 9 HE ARG 9 -1.038 5.538 3.233 316 HH11 ARG 9 HH11 ARG 9 -0.492 4.551 6.559 317 HH12 ARG 9 HH12 ARG 9 1.058 5.318 6.631 318 HH21 ARG 9 HH21 ARG 9 0.808 6.544 3.374 319 HH22 ARG 9 HH22 ARG 9 1.837 6.471 4.766 320 H CYS 10 H CYS 10 -0.718 4.019 0.713 321 HA CYS 10 HA CYS 10 -0.456 1.576 -0.906 322 HB2 CYS 10 HB2 CYS 10 -0.485 4.304 -2.190 323 HB3 CYS 10 HB3 CYS 10 -0.537 2.734 -2.975 324 H PHE 11 H PHE 11 1.557 0.901 -0.742 325 HA PHE 11 HA PHE 11 3.702 2.914 -0.715 326 HB2 PHE 11 HB2 PHE 11 5.105 1.425 0.565 327 HB3 PHE 11 HB3 PHE 11 3.534 1.489 1.369 328 HD1 PHE 11 HD1 PHE 11 5.745 -0.517 -0.783 329 HD2 PHE 11 HD2 PHE 11 2.211 -0.488 1.610 330 HE1 PHE 11 HE1 PHE 11 5.664 -2.987 -0.875 331 HE2 PHE 11 HE2 PHE 11 2.120 -2.954 1.517 332 HZ PHE 11 HZ PHE 11 3.848 -4.206 0.273 333 H TYR 12 H TYR 12 5.296 2.752 -2.235 334 HA TYR 12 HA TYR 12 4.892 0.931 -4.449 335 HB2 TYR 12 HB2 TYR 12 6.623 3.324 -3.934 336 HB3 TYR 12 HB3 TYR 12 7.187 2.161 -5.129 337 HD1 TYR 12 HD1 TYR 12 5.909 1.790 -7.224 338 HD2 TYR 12 HD2 TYR 12 4.587 4.652 -4.342 339 HE1 TYR 12 HE1 TYR 12 4.400 2.700 -8.810 340 HE2 TYR 12 HE2 TYR 12 3.063 5.601 -5.945 341 HH TYR 12 HH TYR 12 3.060 4.563 -9.322 342 H PHE 13 H PHE 13 6.332 -0.774 -4.977 343 HA PHE 13 HA PHE 13 8.506 -1.269 -2.999 344 HB2 PHE 13 HB2 PHE 13 6.405 -2.770 -2.742 345 HB3 PHE 13 HB3 PHE 13 6.958 -3.541 -4.228 346 HD1 PHE 13 HD1 PHE 13 7.712 -2.905 -0.718 347 HD2 PHE 13 HD2 PHE 13 9.009 -4.894 -4.258 348 HE1 PHE 13 HE1 PHE 13 9.254 -4.262 0.611 349 HE2 PHE 13 HE2 PHE 13 10.506 -6.303 -2.948 350 HZ PHE 13 HZ PHE 13 10.658 -5.986 -0.489 351 H ASN 14 H ASN 14 10.344 -1.209 -4.030 352 HA ASN 14 HA ASN 14 10.408 -1.915 -6.822 353 HB2 ASN 14 HB2 ASN 14 12.867 -1.100 -6.580 354 HB3 ASN 14 HB3 ASN 14 11.586 0.061 -6.681 355 HD21 ASN 14 HD21 ASN 14 13.838 0.984 -5.783 356 HD22 ASN 14 HD22 ASN 14 13.796 1.219 -4.072 357 H ARG 15 H ARG 15 10.218 -4.181 -6.428 358 HA ARG 15 HA ARG 15 11.622 -5.672 -4.662 359 HB2 ARG 15 HB2 ARG 15 10.036 -6.902 -5.648 360 HB3 ARG 15 HB3 ARG 15 10.362 -6.276 -7.265 361 HG2 ARG 15 HG2 ARG 15 12.088 -7.768 -7.635 362 HG3 ARG 15 HG3 ARG 15 12.310 -8.092 -5.916 363 HD2 ARG 15 HD2 ARG 15 9.757 -8.820 -7.315 364 HD3 ARG 15 HD3 ARG 15 11.157 -9.891 -7.366 365 HE ARG 15 HE ARG 15 9.448 -9.350 -5.098 366 HH11 ARG 15 HH11 ARG 15 12.534 -10.624 -6.163 367 HH12 ARG 15 HH12 ARG 15 12.765 -11.584 -4.741 368 HH21 ARG 15 HH21 ARG 15 9.762 -10.616 -3.229 369 HH22 ARG 15 HH22 ARG 15 11.193 -11.580 -3.077 370 H ILE 16 H ILE 16 13.182 -3.923 -7.232 371 HA ILE 16 HA ILE 16 15.350 -5.612 -7.664 372 HB ILE 16 HB ILE 16 14.917 -2.687 -7.870 373 HG12 ILE 16 HG12 ILE 16 14.169 -3.220 -9.874 374 HG13 ILE 16 HG13 ILE 16 15.695 -3.937 -10.255 375 HG21 ILE 16 HG21 ILE 16 17.321 -4.366 -8.367 376 HG22 ILE 16 HG22 ILE 16 17.144 -3.077 -7.168 377 HG23 ILE 16 HG23 ILE 16 17.163 -2.688 -8.906 378 HD11 ILE 16 HD11 ILE 16 13.878 -5.670 -8.779 379 HD12 ILE 16 HD12 ILE 16 14.875 -6.007 -10.190 380 HD13 ILE 16 HD13 ILE 16 13.321 -5.186 -10.382 381 H THR 17 H THR 17 14.740 -2.816 -5.723 382 HA THR 17 HA THR 17 16.900 -3.426 -3.962 383 HB THR 17 HB THR 17 17.157 -1.209 -3.526 384 HG1 THR 17 HG1 THR 17 14.937 -0.928 -2.893 385 HG21 THR 17 HG21 THR 17 17.496 -1.786 -5.888 386 HG22 THR 17 HG22 THR 17 17.160 -0.074 -5.598 387 HG23 THR 17 HG23 THR 17 15.891 -1.141 -6.250 388 H GLY 18 H GLY 18 14.150 -4.495 -4.299 389 HA2 GLY 18 HA2 GLY 18 12.186 -4.783 -3.155 390 HA3 GLY 18 HA3 GLY 18 13.287 -5.481 -2.007 391 H LYS 19 H LYS 19 13.160 -2.086 -2.889 392 HA LYS 19 HA LYS 19 12.787 -1.376 -0.139 393 HB2 LYS 19 HB2 LYS 19 13.541 -0.048 -2.614 394 HB3 LYS 19 HB3 LYS 19 12.753 0.940 -1.382 395 HG2 LYS 19 HG2 LYS 19 14.399 -0.034 0.207 396 HG3 LYS 19 HG3 LYS 19 15.273 -0.620 -1.234 397 HD2 LYS 19 HD2 LYS 19 15.722 1.569 -1.963 398 HD3 LYS 19 HD3 LYS 19 14.493 2.272 -0.908 399 HE2 LYS 19 HE2 LYS 19 15.991 2.572 0.702 400 HE3 LYS 19 HE3 LYS 19 16.405 0.859 0.679 401 HZ1 LYS 19 HZ1 LYS 19 17.553 2.894 -1.156 402 HZ2 LYS 19 HZ2 LYS 19 18.005 1.268 -1.047 403 HZ3 LYS 19 HZ3 LYS 19 18.315 2.319 0.241 404 H ARG 20 H ARG 20 11.298 0.184 0.582 405 HA ARG 20 HA ARG 20 8.843 0.299 -0.972 406 HB2 ARG 20 HB2 ARG 20 7.447 -0.152 0.891 407 HB3 ARG 20 HB3 ARG 20 8.694 -1.426 0.786 408 HG2 ARG 20 HG2 ARG 20 9.823 -0.655 2.668 409 HG3 ARG 20 HG3 ARG 20 9.041 0.924 2.603 410 HD2 ARG 20 HD2 ARG 20 8.164 -0.452 4.430 411 HD3 ARG 20 HD3 ARG 20 6.920 -0.070 3.241 412 HE ARG 20 HE ARG 20 7.784 -2.468 2.398 413 HH11 ARG 20 HH11 ARG 20 6.819 -1.340 5.570 414 HH12 ARG 20 HH12 ARG 20 6.238 -2.890 6.077 415 HH21 ARG 20 HH21 ARG 20 7.018 -4.503 3.070 416 HH22 ARG 20 HH22 ARG 20 6.351 -4.687 4.658 417 H GLN 21 H GLN 21 7.699 2.070 -0.902 418 HA GLN 21 HA GLN 21 8.289 4.161 0.992 419 HB2 GLN 21 HB2 GLN 21 8.299 5.425 -1.478 420 HB3 GLN 21 HB3 GLN 21 9.594 5.356 -0.327 421 HG2 GLN 21 HG2 GLN 21 10.197 3.163 -1.394 422 HG3 GLN 21 HG3 GLN 21 9.031 3.550 -2.620 423 HE21 GLN 21 HE21 GLN 21 9.363 5.761 -3.607 424 HE22 GLN 21 HE22 GLN 21 10.987 6.166 -3.975 425 H PHE 22 H PHE 22 6.537 5.655 1.137 426 HA PHE 22 HA PHE 22 4.071 4.714 -0.104 427 HB2 PHE 22 HB2 PHE 22 4.729 6.890 1.876 428 HB3 PHE 22 HB3 PHE 22 3.128 6.758 1.164 429 HD1 PHE 22 HD1 PHE 22 2.055 4.332 1.339 430 HD2 PHE 22 HD2 PHE 22 5.123 5.817 3.890 431 HE1 PHE 22 HE1 PHE 22 1.433 2.679 3.038 432 HE2 PHE 22 HE2 PHE 22 4.508 4.166 5.596 433 HZ PHE 22 HZ PHE 22 2.666 2.608 5.157 434 H GLU 23 H GLU 23 6.029 5.607 -1.878 435 HA GLU 23 HA GLU 23 4.828 7.909 -3.198 436 HB2 GLU 23 HB2 GLU 23 6.648 9.102 -2.685 437 HB3 GLU 23 HB3 GLU 23 7.428 7.685 -1.961 438 HG2 GLU 23 HG2 GLU 23 8.158 6.965 -4.202 439 HG3 GLU 23 HG3 GLU 23 7.426 8.421 -4.879 440 H ARG 24 H ARG 24 5.162 8.110 -5.300 441 HA ARG 24 HA ARG 24 5.830 5.690 -6.751 442 HB2 ARG 24 HB2 ARG 24 3.851 6.916 -7.408 443 HB3 ARG 24 HB3 ARG 24 4.823 8.362 -7.709 444 HG2 ARG 24 HG2 ARG 24 6.139 6.509 -9.129 445 HG3 ARG 24 HG3 ARG 24 4.473 5.954 -9.292 446 HD2 ARG 24 HD2 ARG 24 3.866 7.748 -10.536 447 HD3 ARG 24 HD3 ARG 24 4.949 8.838 -9.669 448 HE ARG 24 HE ARG 24 5.535 7.251 -12.016 449 HH11 ARG 24 HH11 ARG 24 6.843 9.190 -9.408 450 HH12 ARG 24 HH12 ARG 24 8.341 9.493 -10.221 451 HH21 ARG 24 HH21 ARG 24 7.516 7.654 -13.080 452 HH22 ARG 24 HH22 ARG 24 8.723 8.623 -12.304 453 HA PRO 25 HA PRO 25 9.994 7.282 -6.480 454 HB2 PRO 25 HB2 PRO 25 10.541 4.810 -7.767 455 HB3 PRO 25 HB3 PRO 25 11.124 5.411 -6.235 456 HG2 PRO 25 HG2 PRO 25 9.377 3.430 -6.285 457 HG3 PRO 25 HG3 PRO 25 9.241 4.681 -5.113 458 HD2 PRO 25 HD2 PRO 25 7.650 4.371 -7.637 459 HD3 PRO 25 HD3 PRO 25 7.141 4.782 -5.982 460 H SER 26 H SER 26 11.488 8.022 -7.760 461 HA SER 26 HA SER 26 10.684 8.705 -10.337 462 HB2 SER 26 HB2 SER 26 12.578 9.957 -10.572 463 HB3 SER 26 HB3 SER 26 12.107 10.128 -8.869 464 HG SER 26 HG SER 26 14.078 9.502 -8.458 465 H ASP 27 H ASP 27 11.330 8.302 -12.071 466 HA ASP 27 HA ASP 27 11.741 5.790 -12.923 467 HB2 ASP 27 HB2 ASP 27 11.185 6.708 -14.802 468 HB3 ASP 27 HB3 ASP 27 11.218 8.258 -13.962 Start of MODEL 18 1 H1 LYS 1 H1 LYS 1 3.607 3.094 -16.458 2 H2 LYS 1 H2 LYS 1 4.865 1.950 -16.226 3 H3 LYS 1 H3 LYS 1 5.240 3.563 -16.677 4 HA LYS 1 HA LYS 1 4.220 4.305 -14.581 5 HB2 LYS 1 HB2 LYS 1 4.339 1.324 -14.047 6 HB3 LYS 1 HB3 LYS 1 4.040 2.542 -12.821 7 HG2 LYS 1 HG2 LYS 1 1.900 2.984 -13.593 8 HG3 LYS 1 HG3 LYS 1 2.233 2.329 -15.203 9 HD2 LYS 1 HD2 LYS 1 1.660 0.264 -14.583 10 HD3 LYS 1 HD3 LYS 1 2.592 0.367 -13.093 11 HE2 LYS 1 HE2 LYS 1 0.227 0.023 -12.642 12 HE3 LYS 1 HE3 LYS 1 0.783 1.573 -12.020 13 HZ1 LYS 1 HZ1 LYS 1 -0.322 2.724 -13.703 14 HZ2 LYS 1 HZ2 LYS 1 -1.424 1.522 -13.255 15 HZ3 LYS 1 HZ3 LYS 1 -0.513 1.347 -14.669 16 H LEU 2 H LEU 2 5.477 3.943 -12.415 17 HA LEU 2 HA LEU 2 7.936 4.838 -12.578 18 HB2 LEU 2 HB2 LEU 2 8.230 4.363 -10.321 19 HB3 LEU 2 HB3 LEU 2 6.519 4.569 -10.567 20 HG LEU 2 HG LEU 2 7.994 2.015 -10.226 21 HD11 LEU 2 HD11 LEU 2 6.104 3.634 -8.636 22 HD12 LEU 2 HD12 LEU 2 7.595 2.844 -8.107 23 HD13 LEU 2 HD13 LEU 2 6.141 1.876 -8.470 24 HD21 LEU 2 HD21 LEU 2 5.874 0.959 -10.414 25 HD22 LEU 2 HD22 LEU 2 6.333 1.848 -11.890 26 HD23 LEU 2 HD23 LEU 2 5.138 2.523 -10.745 27 HA PRO 3 HA PRO 3 11.462 2.596 -13.634 28 HB2 PRO 3 HB2 PRO 3 12.159 2.486 -10.808 29 HB3 PRO 3 HB3 PRO 3 13.081 3.083 -12.177 30 HG2 PRO 3 HG2 PRO 3 11.786 4.703 -10.444 31 HG3 PRO 3 HG3 PRO 3 12.079 5.134 -12.130 32 HD2 PRO 3 HD2 PRO 3 9.587 4.430 -10.773 33 HD3 PRO 3 HD3 PRO 3 9.820 5.257 -12.294 34 HA PRO 4 HA PRO 4 11.486 -1.743 -13.357 35 HB2 PRO 4 HB2 PRO 4 14.284 -1.242 -12.724 36 HB3 PRO 4 HB3 PRO 4 13.579 -2.377 -13.835 37 HG2 PRO 4 HG2 PRO 4 14.488 -0.299 -14.908 38 HG3 PRO 4 HG3 PRO 4 12.797 -0.642 -15.224 39 HD2 PRO 4 HD2 PRO 4 13.891 1.156 -13.204 40 HD3 PRO 4 HD3 PRO 4 12.742 1.487 -14.471 41 H GLY 5 H GLY 5 11.533 -3.420 -12.046 42 HA2 GLY 5 HA2 GLY 5 11.545 -4.575 -10.072 43 HA3 GLY 5 HA3 GLY 5 12.607 -3.327 -9.473 44 H TRP 6 H TRP 6 10.272 -1.345 -10.283 45 HA TRP 6 HA TRP 6 9.150 -1.309 -7.673 46 HB2 TRP 6 HB2 TRP 6 8.977 0.429 -10.061 47 HB3 TRP 6 HB3 TRP 6 7.776 0.588 -8.843 48 HD1 TRP 6 HD1 TRP 6 10.599 2.116 -9.950 49 HE1 TRP 6 HE1 TRP 6 11.964 3.315 -8.144 50 HE3 TRP 6 HE3 TRP 6 8.339 0.195 -5.956 51 HZ2 TRP 6 HZ2 TRP 6 11.958 3.445 -5.284 52 HZ3 TRP 6 HZ3 TRP 6 8.995 0.902 -3.742 53 HH2 TRP 6 HH2 TRP 6 10.696 2.467 -3.405 54 H GLU 7 H GLU 7 7.009 -1.372 -7.158 55 HA GLU 7 HA GLU 7 4.994 -1.812 -9.073 56 HB2 GLU 7 HB2 GLU 7 4.229 -4.030 -8.223 57 HB3 GLU 7 HB3 GLU 7 5.678 -4.073 -9.211 58 HG2 GLU 7 HG2 GLU 7 6.974 -4.826 -7.520 59 HG3 GLU 7 HG3 GLU 7 6.116 -3.889 -6.299 60 H LYS 8 H LYS 8 3.743 -0.411 -8.276 61 HA LYS 8 HA LYS 8 3.455 0.514 -5.723 62 HB2 LYS 8 HB2 LYS 8 2.205 1.317 -7.916 63 HB3 LYS 8 HB3 LYS 8 1.010 0.073 -7.538 64 HG2 LYS 8 HG2 LYS 8 0.882 1.234 -5.209 65 HG3 LYS 8 HG3 LYS 8 1.601 2.600 -6.056 66 HD2 LYS 8 HD2 LYS 8 -0.393 1.808 -7.772 67 HD3 LYS 8 HD3 LYS 8 -1.110 1.528 -6.184 68 HE2 LYS 8 HE2 LYS 8 0.211 4.030 -6.092 69 HE3 LYS 8 HE3 LYS 8 -0.736 3.990 -7.578 70 HZ1 LYS 8 HZ1 LYS 8 -1.960 4.857 -5.630 71 HZ2 LYS 8 HZ2 LYS 8 -1.827 3.340 -4.895 72 HZ3 LYS 8 HZ3 LYS 8 -2.700 3.508 -6.334 73 H ARG 9 H ARG 9 2.502 -0.255 -3.839 74 HA ARG 9 HA ARG 9 0.789 -2.642 -3.975 75 HB2 ARG 9 HB2 ARG 9 3.479 -2.562 -2.990 76 HB3 ARG 9 HB3 ARG 9 2.394 -2.873 -1.643 77 HG2 ARG 9 HG2 ARG 9 2.113 -4.438 -4.171 78 HG3 ARG 9 HG3 ARG 9 3.371 -4.852 -3.005 79 HD2 ARG 9 HD2 ARG 9 0.408 -4.728 -2.465 80 HD3 ARG 9 HD3 ARG 9 1.388 -6.176 -2.567 81 HE ARG 9 HE ARG 9 1.223 -4.307 -0.412 82 HH11 ARG 9 HH11 ARG 9 3.031 -6.975 -1.809 83 HH12 ARG 9 HH12 ARG 9 3.472 -7.611 -0.260 84 HH21 ARG 9 HH21 ARG 9 1.693 -5.152 1.461 85 HH22 ARG 9 HH22 ARG 9 2.711 -6.540 1.660 86 H CYS 10 H CYS 10 -1.105 -2.087 -3.054 87 HA CYS 10 HA CYS 10 -0.981 -0.420 -0.625 88 HB2 CYS 10 HB2 CYS 10 -1.846 0.934 -2.449 89 HB3 CYS 10 HB3 CYS 10 -3.048 -0.290 -2.830 90 H PHE 11 H PHE 11 -1.676 -1.360 1.109 91 HA PHE 11 HA PHE 11 -3.899 -3.269 0.902 92 HB2 PHE 11 HB2 PHE 11 -2.987 -4.627 2.697 93 HB3 PHE 11 HB3 PHE 11 -1.729 -4.414 1.476 94 HD1 PHE 11 HD1 PHE 11 -2.949 -3.227 4.747 95 HD2 PHE 11 HD2 PHE 11 0.353 -3.471 2.072 96 HE1 PHE 11 HE1 PHE 11 -1.444 -2.426 6.530 97 HE2 PHE 11 HE2 PHE 11 1.857 -2.662 3.846 98 HZ PHE 11 HZ PHE 11 0.958 -2.139 6.077 99 H TYR 12 H TYR 12 -5.591 -2.873 2.262 100 HA TYR 12 HA TYR 12 -5.604 -0.416 3.775 101 HB2 TYR 12 HB2 TYR 12 -7.643 -2.488 3.035 102 HB3 TYR 12 HB3 TYR 12 -7.956 -1.536 4.483 103 HD1 TYR 12 HD1 TYR 12 -8.283 0.923 4.311 104 HD2 TYR 12 HD2 TYR 12 -7.689 -1.435 0.820 105 HE1 TYR 12 HE1 TYR 12 -8.994 2.728 2.958 106 HE2 TYR 12 HE2 TYR 12 -8.431 0.380 -0.564 107 HH TYR 12 HH TYR 12 -9.933 2.499 -0.206 108 H PHE 13 H PHE 13 -5.519 -0.292 6.057 109 HA PHE 13 HA PHE 13 -5.131 -2.905 7.422 110 HB2 PHE 13 HB2 PHE 13 -3.040 -1.404 7.219 111 HB3 PHE 13 HB3 PHE 13 -3.832 -0.374 8.415 112 HD1 PHE 13 HD1 PHE 13 -2.515 -3.737 7.783 113 HD2 PHE 13 HD2 PHE 13 -3.941 -1.040 10.727 114 HE1 PHE 13 HE1 PHE 13 -1.675 -5.212 9.536 115 HE2 PHE 13 HE2 PHE 13 -3.072 -2.465 12.499 116 HZ PHE 13 HZ PHE 13 -1.935 -4.585 11.912 117 H ASN 14 H ASN 14 -6.641 -3.317 8.766 118 HA ASN 14 HA ASN 14 -8.292 -1.151 9.720 119 HB2 ASN 14 HB2 ASN 14 -9.310 -3.229 8.697 120 HB3 ASN 14 HB3 ASN 14 -8.801 -4.102 10.083 121 HD21 ASN 14 HD21 ASN 14 -10.176 -0.913 9.819 122 HD22 ASN 14 HD22 ASN 14 -11.551 -1.215 10.811 123 H ARG 15 H ARG 15 -6.375 -0.537 11.059 124 HA ARG 15 HA ARG 15 -5.082 -1.940 12.924 125 HB2 ARG 15 HB2 ARG 15 -4.191 0.066 13.077 126 HB3 ARG 15 HB3 ARG 15 -5.684 0.881 12.618 127 HG2 ARG 15 HG2 ARG 15 -6.465 0.886 14.867 128 HG3 ARG 15 HG3 ARG 15 -5.138 -0.153 15.389 129 HD2 ARG 15 HD2 ARG 15 -4.536 2.031 16.063 130 HD3 ARG 15 HD3 ARG 15 -3.573 1.699 14.625 131 HE ARG 15 HE ARG 15 -4.725 3.338 13.498 132 HH11 ARG 15 HH11 ARG 15 -6.349 2.683 16.533 133 HH12 ARG 15 HH12 ARG 15 -7.393 4.059 16.410 134 HH21 ARG 15 HH21 ARG 15 -6.102 5.147 13.345 135 HH22 ARG 15 HH22 ARG 15 -7.254 5.457 14.602 136 H ILE 16 H ILE 16 -8.549 -1.341 13.228 137 HA ILE 16 HA ILE 16 -8.753 -1.645 15.976 138 HB ILE 16 HB ILE 16 -10.545 -2.212 13.685 139 HG12 ILE 16 HG12 ILE 16 -11.062 -0.079 13.922 140 HG13 ILE 16 HG13 ILE 16 -11.548 -0.374 15.554 141 HG21 ILE 16 HG21 ILE 16 -10.912 -2.582 16.614 142 HG22 ILE 16 HG22 ILE 16 -10.942 -3.832 15.361 143 HG23 ILE 16 HG23 ILE 16 -12.241 -2.615 15.445 144 HD11 ILE 16 HD11 ILE 16 -9.705 1.423 14.796 145 HD12 ILE 16 HD12 ILE 16 -8.684 0.035 15.188 146 HD13 ILE 16 HD13 ILE 16 -9.780 0.689 16.401 147 H THR 17 H THR 17 -9.017 -3.717 13.241 148 HA THR 17 HA THR 17 -8.714 -6.069 14.815 149 HB THR 17 HB THR 17 -9.838 -7.231 13.137 150 HG1 THR 17 HG1 THR 17 -8.622 -6.128 11.421 151 HG21 THR 17 HG21 THR 17 -11.879 -6.022 12.974 152 HG22 THR 17 HG22 THR 17 -11.031 -4.476 13.244 153 HG23 THR 17 HG23 THR 17 -11.121 -5.683 14.534 154 H GLY 18 H GLY 18 -6.777 -4.025 13.826 155 HA2 GLY 18 HA2 GLY 18 -4.870 -3.799 12.592 156 HA3 GLY 18 HA3 GLY 18 -4.376 -5.180 13.511 157 H LYS 19 H LYS 19 -6.991 -5.250 11.292 158 HA LYS 19 HA LYS 19 -6.030 -7.405 9.785 159 HB2 LYS 19 HB2 LYS 19 -8.369 -5.681 9.833 160 HB3 LYS 19 HB3 LYS 19 -7.978 -6.417 8.282 161 HG2 LYS 19 HG2 LYS 19 -7.932 -8.586 9.380 162 HG3 LYS 19 HG3 LYS 19 -8.485 -7.797 10.881 163 HD2 LYS 19 HD2 LYS 19 -10.604 -7.671 10.141 164 HD3 LYS 19 HD3 LYS 19 -10.107 -7.154 8.529 165 HE2 LYS 19 HE2 LYS 19 -9.387 -9.635 8.244 166 HE3 LYS 19 HE3 LYS 19 -10.468 -9.922 9.606 167 HZ1 LYS 19 HZ1 LYS 19 -11.249 -8.599 7.063 168 HZ2 LYS 19 HZ2 LYS 19 -12.277 -8.962 8.357 169 HZ3 LYS 19 HZ3 LYS 19 -11.575 -10.212 7.461 170 H ARG 20 H ARG 20 -5.766 -7.514 7.544 171 HA ARG 20 HA ARG 20 -5.129 -5.073 6.168 172 HB2 ARG 20 HB2 ARG 20 -3.044 -5.802 5.310 173 HB3 ARG 20 HB3 ARG 20 -3.030 -5.928 7.091 174 HG2 ARG 20 HG2 ARG 20 -3.799 -8.375 5.652 175 HG3 ARG 20 HG3 ARG 20 -2.126 -7.859 5.453 176 HD2 ARG 20 HD2 ARG 20 -3.469 -8.153 8.133 177 HD3 ARG 20 HD3 ARG 20 -2.556 -9.446 7.357 178 HE ARG 20 HE ARG 20 -1.092 -6.982 7.610 179 HH11 ARG 20 HH11 ARG 20 -1.954 -9.975 9.212 180 HH12 ARG 20 HH12 ARG 20 -0.582 -9.946 10.267 181 HH21 ARG 20 HH21 ARG 20 0.711 -6.951 9.004 182 HH22 ARG 20 HH22 ARG 20 0.930 -8.231 10.150 183 H GLN 21 H GLN 21 -5.625 -5.027 4.142 184 HA GLN 21 HA GLN 21 -6.084 -7.442 2.644 185 HB2 GLN 21 HB2 GLN 21 -8.352 -5.904 2.199 186 HB3 GLN 21 HB3 GLN 21 -8.277 -7.505 2.860 187 HG2 GLN 21 HG2 GLN 21 -7.891 -6.386 5.078 188 HG3 GLN 21 HG3 GLN 21 -8.271 -4.893 4.280 189 HE21 GLN 21 HE21 GLN 21 -10.417 -4.813 3.217 190 HE22 GLN 21 HE22 GLN 21 -11.697 -5.649 3.991 191 H PHE 22 H PHE 22 -5.954 -7.028 0.395 192 HA PHE 22 HA PHE 22 -4.906 -4.400 -0.286 193 HB2 PHE 22 HB2 PHE 22 -5.481 -6.858 -1.957 194 HB3 PHE 22 HB3 PHE 22 -4.726 -5.400 -2.586 195 HD1 PHE 22 HD1 PHE 22 -2.728 -4.641 -0.746 196 HD2 PHE 22 HD2 PHE 22 -3.967 -8.572 -1.751 197 HE1 PHE 22 HE1 PHE 22 -0.543 -5.496 -0.072 198 HE2 PHE 22 HE2 PHE 22 -1.782 -9.436 -1.081 199 HZ PHE 22 HZ PHE 22 -0.084 -7.889 -0.245 200 H GLU 23 H GLU 23 -7.515 -4.365 0.675 201 HA GLU 23 HA GLU 23 -9.130 -3.421 -1.555 202 HB2 GLU 23 HB2 GLU 23 -10.456 -5.202 -1.291 203 HB3 GLU 23 HB3 GLU 23 -9.539 -5.732 0.130 204 HG2 GLU 23 HG2 GLU 23 -10.843 -4.196 1.537 205 HG3 GLU 23 HG3 GLU 23 -11.760 -3.702 0.114 206 H ARG 24 H ARG 24 -10.679 -2.032 -1.123 207 HA ARG 24 HA ARG 24 -10.476 -0.560 1.376 208 HB2 ARG 24 HB2 ARG 24 -10.527 0.717 -0.681 209 HB3 ARG 24 HB3 ARG 24 -12.075 -0.014 -1.124 210 HG2 ARG 24 HG2 ARG 24 -12.833 0.837 1.157 211 HG3 ARG 24 HG3 ARG 24 -11.433 1.908 1.028 212 HD2 ARG 24 HD2 ARG 24 -12.304 3.029 -0.789 213 HD3 ARG 24 HD3 ARG 24 -13.367 1.690 -1.225 214 HE ARG 24 HE ARG 24 -13.849 3.780 0.723 215 HH11 ARG 24 HH11 ARG 24 -14.879 0.686 -0.556 216 HH12 ARG 24 HH12 ARG 24 -16.478 0.811 0.093 217 HH21 ARG 24 HH21 ARG 24 -15.962 3.937 1.577 218 HH22 ARG 24 HH22 ARG 24 -17.094 2.656 1.303 219 HA PRO 25 HA PRO 25 -13.320 -3.644 2.801 220 HB2 PRO 25 HB2 PRO 25 -13.271 -2.034 5.134 221 HB3 PRO 25 HB3 PRO 25 -12.863 -3.709 4.921 222 HG2 PRO 25 HG2 PRO 25 -10.990 -1.877 5.346 223 HG3 PRO 25 HG3 PRO 25 -10.720 -3.226 4.307 224 HD2 PRO 25 HD2 PRO 25 -11.229 -0.400 3.540 225 HD3 PRO 25 HD3 PRO 25 -10.194 -1.649 2.808 226 H SER 26 H SER 26 -15.267 -3.918 3.081 227 HA SER 26 HA SER 26 -17.217 -2.099 2.330 228 HB2 SER 26 HB2 SER 26 -17.425 -4.432 1.885 229 HB3 SER 26 HB3 SER 26 -17.359 -4.741 3.629 230 HG SER 26 HG SER 26 -19.426 -3.480 2.141 231 H ASP 27 H ASP 27 -15.958 -3.238 5.149 232 HA ASP 27 HA ASP 27 -15.891 -2.184 7.196 233 HB2 ASP 27 HB2 ASP 27 -16.882 -0.282 7.421 234 HB3 ASP 27 HB3 ASP 27 -17.539 -0.518 5.814 235 H1 LYS 1 H1 LYS 1 -17.250 6.673 4.097 236 H2 LYS 1 H2 LYS 1 -16.808 6.103 2.540 237 H3 LYS 1 H3 LYS 1 -16.768 7.784 2.883 238 HA LYS 1 HA LYS 1 -14.589 6.747 2.842 239 HB2 LYS 1 HB2 LYS 1 -13.832 7.848 4.866 240 HB3 LYS 1 HB3 LYS 1 -15.112 8.799 4.127 241 HG2 LYS 1 HG2 LYS 1 -16.042 6.875 6.134 242 HG3 LYS 1 HG3 LYS 1 -14.974 8.133 6.758 243 HD2 LYS 1 HD2 LYS 1 -16.916 9.258 4.951 244 HD3 LYS 1 HD3 LYS 1 -17.717 8.337 6.222 245 HE2 LYS 1 HE2 LYS 1 -15.631 10.453 6.694 246 HE3 LYS 1 HE3 LYS 1 -17.369 10.730 6.760 247 HZ1 LYS 1 HZ1 LYS 1 -15.729 9.040 8.556 248 HZ2 LYS 1 HZ2 LYS 1 -17.416 8.929 8.502 249 HZ3 LYS 1 HZ3 LYS 1 -16.680 10.379 8.964 250 H LEU 2 H LEU 2 -12.986 5.665 4.360 251 HA LEU 2 HA LEU 2 -13.530 2.979 4.690 252 HB2 LEU 2 HB2 LEU 2 -11.565 4.825 5.931 253 HB3 LEU 2 HB3 LEU 2 -11.643 3.137 6.352 254 HG LEU 2 HG LEU 2 -11.080 4.219 3.614 255 HD11 LEU 2 HD11 LEU 2 -9.081 4.501 4.515 256 HD12 LEU 2 HD12 LEU 2 -8.957 2.731 4.555 257 HD13 LEU 2 HD13 LEU 2 -9.531 3.619 5.970 258 HD21 LEU 2 HD21 LEU 2 -11.905 1.607 4.547 259 HD22 LEU 2 HD22 LEU 2 -10.292 1.563 3.831 260 HD23 LEU 2 HD23 LEU 2 -11.665 2.191 2.894 261 HA PRO 3 HA PRO 3 -15.570 2.366 8.587 262 HB2 PRO 3 HB2 PRO 3 -14.095 -0.097 8.734 263 HB3 PRO 3 HB3 PRO 3 -15.827 0.155 8.567 264 HG2 PRO 3 HG2 PRO 3 -14.394 -0.796 6.527 265 HG3 PRO 3 HG3 PRO 3 -15.712 0.333 6.258 266 HD2 PRO 3 HD2 PRO 3 -12.765 0.893 6.344 267 HD3 PRO 3 HD3 PRO 3 -13.983 1.385 5.171 268 HA PRO 4 HA PRO 4 -12.882 3.490 11.814 269 HB2 PRO 4 HB2 PRO 4 -14.163 1.230 13.128 270 HB3 PRO 4 HB3 PRO 4 -13.806 2.822 13.730 271 HG2 PRO 4 HG2 PRO 4 -16.195 2.487 12.994 272 HG3 PRO 4 HG3 PRO 4 -15.336 3.813 12.232 273 HD2 PRO 4 HD2 PRO 4 -15.736 1.121 11.179 274 HD3 PRO 4 HD3 PRO 4 -16.107 2.658 10.449 275 H GLY 5 H GLY 5 -10.992 3.142 12.521 276 HA2 GLY 5 HA2 GLY 5 -9.008 2.094 12.977 277 HA3 GLY 5 HA3 GLY 5 -9.872 0.587 12.819 278 H TRP 6 H TRP 6 -10.651 1.663 9.923 279 HA TRP 6 HA TRP 6 -8.461 0.319 8.651 280 HB2 TRP 6 HB2 TRP 6 -11.065 1.374 7.796 281 HB3 TRP 6 HB3 TRP 6 -9.877 1.178 6.553 282 HD1 TRP 6 HD1 TRP 6 -12.658 -0.372 7.758 283 HE1 TRP 6 HE1 TRP 6 -12.731 -2.888 7.501 284 HE3 TRP 6 HE3 TRP 6 -7.840 -1.084 6.741 285 HZ2 TRP 6 HZ2 TRP 6 -10.881 -4.948 6.833 286 HZ3 TRP 6 HZ3 TRP 6 -7.048 -3.324 6.279 287 HH2 TRP 6 HH2 TRP 6 -8.477 -5.178 6.291 288 H GLU 7 H GLU 7 -7.164 1.140 7.051 289 HA GLU 7 HA GLU 7 -7.217 3.896 6.318 290 HB2 GLU 7 HB2 GLU 7 -5.043 4.551 7.167 291 HB3 GLU 7 HB3 GLU 7 -6.037 4.018 8.513 292 HG2 GLU 7 HG2 GLU 7 -4.876 1.864 8.516 293 HG3 GLU 7 HG3 GLU 7 -3.882 2.401 7.164 294 H LYS 8 H LYS 8 -6.643 3.989 4.262 295 HA LYS 8 HA LYS 8 -5.633 1.647 2.976 296 HB2 LYS 8 HB2 LYS 8 -7.263 3.428 1.939 297 HB3 LYS 8 HB3 LYS 8 -5.829 4.448 1.740 298 HG2 LYS 8 HG2 LYS 8 -4.781 2.669 0.356 299 HG3 LYS 8 HG3 LYS 8 -6.283 1.748 0.471 300 HD2 LYS 8 HD2 LYS 8 -7.374 3.943 -0.420 301 HD3 LYS 8 HD3 LYS 8 -5.735 4.317 -0.956 302 HE2 LYS 8 HE2 LYS 8 -5.836 2.845 -2.636 303 HE3 LYS 8 HE3 LYS 8 -6.553 1.600 -1.614 304 HZ1 LYS 8 HZ1 LYS 8 -8.705 2.541 -1.948 305 HZ2 LYS 8 HZ2 LYS 8 -7.993 2.334 -3.467 306 HZ3 LYS 8 HZ3 LYS 8 -8.068 3.874 -2.774 307 H ARG 9 H ARG 9 -3.551 1.132 2.653 308 HA ARG 9 HA ARG 9 -1.504 3.245 2.906 309 HB2 ARG 9 HB2 ARG 9 -1.187 0.351 3.723 310 HB3 ARG 9 HB3 ARG 9 -0.021 1.645 3.958 311 HG2 ARG 9 HG2 ARG 9 -2.681 2.082 5.152 312 HG3 ARG 9 HG3 ARG 9 -1.714 0.786 5.858 313 HD2 ARG 9 HD2 ARG 9 -0.871 3.661 5.524 314 HD3 ARG 9 HD3 ARG 9 -1.281 2.865 7.029 315 HE ARG 9 HE ARG 9 1.148 2.726 5.581 316 HH11 ARG 9 HH11 ARG 9 -0.869 1.039 7.913 317 HH12 ARG 9 HH12 ARG 9 0.493 0.419 8.782 318 HH21 ARG 9 HH21 ARG 9 2.786 2.033 6.704 319 HH22 ARG 9 HH22 ARG 9 2.639 0.980 8.072 320 H CYS 10 H CYS 10 -1.102 3.631 0.760 321 HA CYS 10 HA CYS 10 -0.437 1.319 -0.933 322 HB2 CYS 10 HB2 CYS 10 -0.711 4.074 -2.054 323 HB3 CYS 10 HB3 CYS 10 -1.039 2.522 -2.806 324 H PHE 11 H PHE 11 1.634 0.848 -0.438 325 HA PHE 11 HA PHE 11 3.617 2.986 -0.791 326 HB2 PHE 11 HB2 PHE 11 5.190 1.662 0.490 327 HB3 PHE 11 HB3 PHE 11 3.684 1.778 1.405 328 HD1 PHE 11 HD1 PHE 11 5.719 -0.444 -0.772 329 HD2 PHE 11 HD2 PHE 11 2.488 -0.177 2.020 330 HE1 PHE 11 HE1 PHE 11 5.656 -2.904 -0.608 331 HE2 PHE 11 HE2 PHE 11 2.424 -2.639 2.177 332 HZ PHE 11 HZ PHE 11 4.008 -4.003 0.864 333 H TYR 12 H TYR 12 5.240 2.743 -2.300 334 HA TYR 12 HA TYR 12 4.835 0.691 -4.313 335 HB2 TYR 12 HB2 TYR 12 6.333 3.255 -4.159 336 HB3 TYR 12 HB3 TYR 12 7.003 2.016 -5.222 337 HD1 TYR 12 HD2 TYR 12 5.709 1.192 -7.143 338 HD2 TYR 12 HD1 TYR 12 4.174 4.304 -4.675 339 HE1 TYR 12 HE2 TYR 12 4.164 1.748 -8.856 340 HE2 TYR 12 HE1 TYR 12 2.543 4.878 -6.360 341 HH TYR 12 HH TYR 12 2.743 3.754 -9.565 342 H PHE 13 H PHE 13 6.257 -1.022 -4.671 343 HA PHE 13 HA PHE 13 8.527 -1.169 -2.763 344 HB2 PHE 13 HB2 PHE 13 6.621 -2.901 -2.517 345 HB3 PHE 13 HB3 PHE 13 7.269 -3.612 -4.003 346 HD1 PHE 13 HD1 PHE 13 8.180 -2.582 -0.586 347 HD2 PHE 13 HD2 PHE 13 9.200 -5.037 -3.915 348 HE1 PHE 13 HE1 PHE 13 9.854 -3.724 0.781 349 HE2 PHE 13 HE2 PHE 13 10.856 -6.225 -2.573 350 HZ PHE 13 HZ PHE 13 11.202 -5.571 -0.197 351 H ASN 14 H ASN 14 10.401 -1.095 -3.594 352 HA ASN 14 HA ASN 14 10.649 -1.472 -6.448 353 HB2 ASN 14 HB2 ASN 14 11.574 0.580 -5.171 354 HB3 ASN 14 HB3 ASN 14 12.823 -0.466 -4.634 355 HD21 ASN 14 HD21 ASN 14 11.401 -0.641 -7.792 356 HD22 ASN 14 HD22 ASN 14 12.797 -0.138 -8.664 357 H ARG 15 H ARG 15 10.414 -3.835 -6.064 358 HA ARG 15 HA ARG 15 11.902 -5.367 -4.419 359 HB2 ARG 15 HB2 ARG 15 10.546 -6.807 -5.362 360 HB3 ARG 15 HB3 ARG 15 10.442 -5.891 -6.865 361 HG2 ARG 15 HG2 ARG 15 12.417 -6.928 -7.718 362 HG3 ARG 15 HG3 ARG 15 12.735 -7.709 -6.169 363 HD2 ARG 15 HD2 ARG 15 11.771 -9.317 -7.709 364 HD3 ARG 15 HD3 ARG 15 10.635 -8.987 -6.404 365 HE ARG 15 HE ARG 15 10.360 -8.233 -9.207 366 HH11 ARG 15 HH11 ARG 15 9.061 -8.072 -5.952 367 HH12 ARG 15 HH12 ARG 15 7.487 -7.582 -6.478 368 HH21 ARG 15 HH21 ARG 15 8.284 -7.590 -9.884 369 HH22 ARG 15 HH22 ARG 15 7.045 -7.309 -8.707 370 H ILE 16 H ILE 16 13.341 -3.518 -7.008 371 HA ILE 16 HA ILE 16 15.612 -5.072 -7.431 372 HB ILE 16 HB ILE 16 14.970 -2.189 -7.647 373 HG12 ILE 16 HG12 ILE 16 14.279 -2.809 -9.648 374 HG13 ILE 16 HG13 ILE 16 15.882 -3.337 -10.020 375 HG21 ILE 16 HG21 ILE 16 17.516 -3.666 -8.064 376 HG22 ILE 16 HG22 ILE 16 17.202 -2.361 -6.908 377 HG23 ILE 16 HG23 ILE 16 17.234 -2.022 -8.657 378 HD11 ILE 16 HD11 ILE 16 15.355 -5.524 -9.837 379 HD12 ILE 16 HD12 ILE 16 13.770 -4.884 -10.296 380 HD13 ILE 16 HD13 ILE 16 14.134 -5.231 -8.600 381 H THR 17 H THR 17 14.771 -2.357 -5.486 382 HA THR 17 HA THR 17 17.023 -2.605 -3.763 383 HB THR 17 HB THR 17 16.595 -0.402 -3.107 384 HG1 THR 17 HG1 THR 17 14.294 -0.635 -2.898 385 HG21 THR 17 HG21 THR 17 16.711 0.724 -5.178 386 HG22 THR 17 HG22 THR 17 15.856 -0.601 -6.007 387 HG23 THR 17 HG23 THR 17 17.482 -0.855 -5.360 388 H GLY 18 H GLY 18 14.302 -4.062 -4.044 389 HA2 GLY 18 HA2 GLY 18 12.514 -4.668 -2.740 390 HA3 GLY 18 HA3 GLY 18 13.788 -5.338 -1.774 391 H LYS 19 H LYS 19 13.229 -1.950 -2.374 392 HA LYS 19 HA LYS 19 12.648 -1.559 0.451 393 HB2 LYS 19 HB2 LYS 19 13.922 0.277 0.475 394 HB3 LYS 19 HB3 LYS 19 14.717 -0.547 -0.890 395 HG2 LYS 19 HG2 LYS 19 13.916 0.908 -2.387 396 HG3 LYS 19 HG3 LYS 19 12.407 1.154 -1.496 397 HD2 LYS 19 HD2 LYS 19 14.855 2.167 -0.197 398 HD3 LYS 19 HD3 LYS 19 14.364 3.009 -1.668 399 HE2 LYS 19 HE2 LYS 19 12.050 3.157 -0.637 400 HE3 LYS 19 HE3 LYS 19 12.797 2.632 0.872 401 HZ1 LYS 19 HZ1 LYS 19 13.479 5.077 -0.671 402 HZ2 LYS 19 HZ2 LYS 19 14.286 4.561 0.724 403 HZ3 LYS 19 HZ3 LYS 19 12.659 5.018 0.809 404 H ARG 20 H ARG 20 11.252 0.279 0.977 405 HA ARG 20 HA ARG 20 9.101 0.431 -0.999 406 HB2 ARG 20 HB2 ARG 20 7.456 0.189 0.678 407 HB3 ARG 20 HB3 ARG 20 8.734 -1.000 1.047 408 HG2 ARG 20 HG2 ARG 20 9.643 0.546 2.731 409 HG3 ARG 20 HG3 ARG 20 8.317 1.662 2.398 410 HD2 ARG 20 HD2 ARG 20 7.623 0.462 4.288 411 HD3 ARG 20 HD3 ARG 20 6.764 -0.283 2.943 412 HE ARG 20 HE ARG 20 8.071 -2.194 3.176 413 HH11 ARG 20 HH11 ARG 20 9.098 0.281 5.436 414 HH12 ARG 20 HH12 ARG 20 10.038 -0.814 6.392 415 HH21 ARG 20 HH21 ARG 20 9.315 -3.625 4.440 416 HH22 ARG 20 HH22 ARG 20 10.163 -3.028 5.827 417 H GLN 21 H GLN 21 7.839 2.142 -1.235 418 HA GLN 21 HA GLN 21 8.630 4.687 0.020 419 HB2 GLN 21 HB2 GLN 21 7.647 4.363 -2.761 420 HB3 GLN 21 HB3 GLN 21 8.442 5.775 -2.069 421 HG2 GLN 21 HG2 GLN 21 10.225 3.601 -1.972 422 HG3 GLN 21 HG3 GLN 21 9.442 3.610 -3.505 423 HE21 GLN 21 HE21 GLN 21 9.296 5.829 -4.527 424 HE22 GLN 21 HE22 GLN 21 10.745 6.740 -4.481 425 H PHE 22 H PHE 22 6.790 6.318 -0.272 426 HA PHE 22 HA PHE 22 4.152 4.965 -0.282 427 HB2 PHE 22 HB2 PHE 22 5.131 7.470 1.107 428 HB3 PHE 22 HB3 PHE 22 3.418 7.095 0.944 429 HD1 PHE 22 HD1 PHE 22 2.693 4.739 1.816 430 HD2 PHE 22 HD2 PHE 22 6.290 6.702 2.958 431 HE1 PHE 22 HE1 PHE 22 2.804 3.344 3.832 432 HE2 PHE 22 HE2 PHE 22 6.413 5.315 4.980 433 HZ PHE 22 HZ PHE 22 4.667 3.643 5.400 434 H GLU 23 H GLU 23 5.798 5.789 -2.466 435 HA GLU 23 HA GLU 23 4.156 7.658 -3.993 436 HB2 GLU 23 HB2 GLU 23 5.788 9.194 -3.832 437 HB3 GLU 23 HB3 GLU 23 6.761 8.074 -2.871 438 HG2 GLU 23 HG2 GLU 23 7.529 7.033 -5.034 439 HG3 GLU 23 HG3 GLU 23 6.738 8.376 -5.858 440 H ARG 24 H ARG 24 4.631 7.697 -6.199 441 HA ARG 24 HA ARG 24 5.611 5.153 -7.230 442 HB2 ARG 24 HB2 ARG 24 3.452 5.678 -8.048 443 HB3 ARG 24 HB3 ARG 24 3.966 7.297 -8.524 444 HG2 ARG 24 HG2 ARG 24 5.697 6.132 -9.920 445 HG3 ARG 24 HG3 ARG 24 4.732 4.669 -9.687 446 HD2 ARG 24 HD2 ARG 24 2.876 5.580 -10.785 447 HD3 ARG 24 HD3 ARG 24 3.493 7.224 -10.642 448 HE ARG 24 HE ARG 24 4.086 5.289 -12.677 449 HH11 ARG 24 HH11 ARG 24 5.238 8.177 -11.065 450 HH12 ARG 24 HH12 ARG 24 6.216 8.684 -12.400 451 HH21 ARG 24 HH21 ARG 24 5.379 5.971 -14.441 452 HH22 ARG 24 HH22 ARG 24 6.297 7.432 -14.314 453 HA PRO 25 HA PRO 25 9.441 7.585 -7.039 454 HB2 PRO 25 HB2 PRO 25 10.519 5.343 -8.308 455 HB3 PRO 25 HB3 PRO 25 10.761 5.906 -6.669 456 HG2 PRO 25 HG2 PRO 25 8.999 3.801 -7.637 457 HG3 PRO 25 HG3 PRO 25 9.507 4.134 -6.016 458 HD2 PRO 25 HD2 PRO 25 6.987 4.524 -6.747 459 HD3 PRO 25 HD3 PRO 25 7.811 5.520 -5.567 460 H SER 26 H SER 26 10.739 8.550 -8.339 461 HA SER 26 HA SER 26 9.833 9.060 -10.939 462 HB2 SER 26 HB2 SER 26 11.448 10.714 -11.088 463 HB3 SER 26 HB3 SER 26 10.910 10.731 -9.401 464 HG SER 26 HG SER 26 13.272 10.786 -9.821 465 H ASP 27 H ASP 27 10.934 9.018 -12.702 466 HA ASP 27 HA ASP 27 12.324 6.578 -13.183 467 HB2 ASP 27 HB2 ASP 27 11.015 6.481 -14.903 468 HB3 ASP 27 HB3 ASP 27 10.282 7.993 -14.362 Start of MODEL 19 1 H1 LYS 1 H1 LYS 1 6.960 9.804 -13.860 2 H2 LYS 1 H2 LYS 1 8.448 9.098 -14.343 3 H3 LYS 1 H3 LYS 1 8.238 9.645 -12.729 4 HA LYS 1 HA LYS 1 6.559 8.003 -12.361 5 HB2 LYS 1 HB2 LYS 1 7.211 7.355 -15.243 6 HB3 LYS 1 HB3 LYS 1 6.458 6.185 -14.177 7 HG2 LYS 1 HG2 LYS 1 4.455 7.417 -14.053 8 HG3 LYS 1 HG3 LYS 1 5.224 8.890 -14.669 9 HD2 LYS 1 HD2 LYS 1 5.092 8.210 -16.827 10 HD3 LYS 1 HD3 LYS 1 5.288 6.507 -16.419 11 HE2 LYS 1 HE2 LYS 1 3.120 6.314 -16.821 12 HE3 LYS 1 HE3 LYS 1 2.881 7.121 -15.275 13 HZ1 LYS 1 HZ1 LYS 1 1.590 8.218 -16.951 14 HZ2 LYS 1 HZ2 LYS 1 2.939 8.406 -17.953 15 HZ3 LYS 1 HZ3 LYS 1 2.848 9.252 -16.492 16 H LEU 2 H LEU 2 7.080 5.837 -11.696 17 HA LEU 2 HA LEU 2 9.852 5.615 -11.185 18 HB2 LEU 2 HB2 LEU 2 9.365 4.625 -9.319 19 HB3 LEU 2 HB3 LEU 2 7.751 5.187 -9.647 20 HG LEU 2 HG LEU 2 8.890 2.483 -9.778 21 HD11 LEU 2 HD11 LEU 2 7.820 2.814 -7.776 22 HD12 LEU 2 HD12 LEU 2 6.490 2.208 -8.786 23 HD13 LEU 2 HD13 LEU 2 6.671 3.942 -8.500 24 HD21 LEU 2 HD21 LEU 2 6.420 2.083 -10.665 25 HD22 LEU 2 HD22 LEU 2 7.900 2.183 -11.704 26 HD23 LEU 2 HD23 LEU 2 6.872 3.573 -11.508 27 HA PRO 3 HA PRO 3 11.638 2.474 -13.607 28 HB2 PRO 3 HB2 PRO 3 12.796 1.370 -11.251 29 HB3 PRO 3 HB3 PRO 3 13.543 2.344 -12.516 30 HG2 PRO 3 HG2 PRO 3 13.117 3.265 -10.025 31 HG3 PRO 3 HG3 PRO 3 13.094 4.292 -11.454 32 HD2 PRO 3 HD2 PRO 3 10.801 3.156 -9.938 33 HD3 PRO 3 HD3 PRO 3 11.062 4.755 -10.539 34 HA PRO 4 HA PRO 4 10.449 -1.765 -13.614 35 HB2 PRO 4 HB2 PRO 4 13.314 -2.206 -13.471 36 HB3 PRO 4 HB3 PRO 4 12.147 -2.836 -14.592 37 HG2 PRO 4 HG2 PRO 4 13.584 -0.983 -15.494 38 HG3 PRO 4 HG3 PRO 4 11.849 -0.734 -15.587 39 HD2 PRO 4 HD2 PRO 4 13.644 0.231 -13.498 40 HD3 PRO 4 HD3 PRO 4 12.615 1.145 -14.559 41 H GLY 5 H GLY 5 10.433 -3.638 -12.464 42 HA2 GLY 5 HA2 GLY 5 10.561 -4.954 -10.576 43 HA3 GLY 5 HA3 GLY 5 11.782 -3.849 -10.014 44 H TRP 6 H TRP 6 10.172 -1.469 -10.247 45 HA TRP 6 HA TRP 6 8.919 -1.454 -7.727 46 HB2 TRP 6 HB2 TRP 6 9.405 0.446 -9.905 47 HB3 TRP 6 HB3 TRP 6 8.067 0.803 -8.917 48 HD1 TRP 6 HD1 TRP 6 11.250 1.795 -9.449 49 HE1 TRP 6 HE1 TRP 6 12.458 2.747 -7.415 50 HE3 TRP 6 HE3 TRP 6 8.180 0.060 -5.956 51 HZ2 TRP 6 HZ2 TRP 6 12.102 2.680 -4.609 52 HZ3 TRP 6 HZ3 TRP 6 8.647 0.530 -3.641 53 HH2 TRP 6 HH2 TRP 6 10.482 1.790 -2.973 54 H GLU 7 H GLU 7 6.739 -1.301 -7.272 55 HA GLU 7 HA GLU 7 4.777 -1.091 -9.307 56 HB2 GLU 7 HB2 GLU 7 3.652 -3.257 -8.847 57 HB3 GLU 7 HB3 GLU 7 5.159 -3.393 -9.737 58 HG2 GLU 7 HG2 GLU 7 6.223 -4.490 -8.047 59 HG3 GLU 7 HG3 GLU 7 5.287 -3.690 -6.787 60 H LYS 8 H LYS 8 3.603 0.322 -8.363 61 HA LYS 8 HA LYS 8 3.303 0.951 -5.722 62 HB2 LYS 8 HB2 LYS 8 2.177 2.131 -7.782 63 HB3 LYS 8 HB3 LYS 8 0.902 0.926 -7.650 64 HG2 LYS 8 HG2 LYS 8 0.577 1.726 -5.246 65 HG3 LYS 8 HG3 LYS 8 1.592 3.099 -5.689 66 HD2 LYS 8 HD2 LYS 8 -0.603 2.467 -7.558 67 HD3 LYS 8 HD3 LYS 8 -1.092 3.058 -5.970 68 HE2 LYS 8 HE2 LYS 8 1.006 4.463 -7.591 69 HE3 LYS 8 HE3 LYS 8 -0.710 4.774 -7.842 70 HZ1 LYS 8 HZ1 LYS 8 0.227 4.892 -5.089 71 HZ2 LYS 8 HZ2 LYS 8 -0.885 5.876 -5.899 72 HZ3 LYS 8 HZ3 LYS 8 0.774 6.124 -6.113 73 H ARG 9 H ARG 9 2.286 -0.036 -3.952 74 HA ARG 9 HA ARG 9 0.455 -2.300 -4.462 75 HB2 ARG 9 HB2 ARG 9 2.779 -2.117 -2.568 76 HB3 ARG 9 HB3 ARG 9 1.427 -3.177 -2.206 77 HG2 ARG 9 HG2 ARG 9 2.417 -3.503 -4.922 78 HG3 ARG 9 HG3 ARG 9 3.645 -3.818 -3.695 79 HD2 ARG 9 HD2 ARG 9 0.951 -5.140 -3.959 80 HD3 ARG 9 HD3 ARG 9 2.524 -5.885 -4.151 81 HE ARG 9 HE ARG 9 1.124 -5.341 -1.750 82 HH11 ARG 9 HH11 ARG 9 4.325 -5.851 -3.104 83 HH12 ARG 9 HH12 ARG 9 4.890 -6.681 -1.694 84 HH21 ARG 9 HH21 ARG 9 1.804 -6.436 -0.086 85 HH22 ARG 9 HH22 ARG 9 3.429 -7.014 0.085 86 H CYS 10 H CYS 10 -1.533 -1.905 -3.657 87 HA CYS 10 HA CYS 10 -1.724 -0.012 -1.409 88 HB2 CYS 10 HB2 CYS 10 -4.208 -0.565 -2.869 89 HB3 CYS 10 HB3 CYS 10 -3.516 0.965 -2.350 90 H PHE 11 H PHE 11 -2.127 -0.797 0.491 91 HA PHE 11 HA PHE 11 -4.034 -3.016 0.729 92 HB2 PHE 11 HB2 PHE 11 -2.812 -4.040 2.533 93 HB3 PHE 11 HB3 PHE 11 -1.660 -3.762 1.224 94 HD1 PHE 11 HD1 PHE 11 -2.859 -2.527 4.484 95 HD2 PHE 11 HD2 PHE 11 0.250 -2.401 1.579 96 HE1 PHE 11 HE1 PHE 11 -1.400 -1.362 6.092 97 HE2 PHE 11 HE2 PHE 11 1.702 -1.224 3.182 98 HZ PHE 11 HZ PHE 11 0.877 -0.704 5.438 99 H TYR 12 H TYR 12 -5.660 -2.653 2.149 100 HA TYR 12 HA TYR 12 -5.920 -0.075 3.406 101 HB2 TYR 12 HB2 TYR 12 -7.650 -2.480 3.049 102 HB3 TYR 12 HB3 TYR 12 -7.969 -1.503 4.477 103 HD1 TYR 12 HD1 TYR 12 -8.636 0.868 4.225 104 HD2 TYR 12 HD2 TYR 12 -8.176 -1.623 0.824 105 HE1 TYR 12 HE1 TYR 12 -9.909 2.414 2.956 106 HE2 TYR 12 HE2 TYR 12 -9.436 -0.061 -0.514 107 HH TYR 12 HH TYR 12 -10.252 3.096 0.619 108 H PHE 13 H PHE 13 -5.743 0.323 5.659 109 HA PHE 13 HA PHE 13 -4.829 -2.011 7.256 110 HB2 PHE 13 HB2 PHE 13 -2.996 -0.315 6.663 111 HB3 PHE 13 HB3 PHE 13 -3.821 0.783 7.773 112 HD1 PHE 13 HD2 PHE 13 -2.224 -2.517 7.524 113 HD2 PHE 13 HD1 PHE 13 -3.540 0.550 10.133 114 HE1 PHE 13 HE2 PHE 13 -1.039 -3.588 9.365 115 HE2 PHE 13 HE1 PHE 13 -2.350 -0.481 11.994 116 HZ PHE 13 HZ PHE 13 -1.084 -2.574 11.620 117 H ASN 14 H ASN 14 -6.144 -2.443 8.795 118 HA ASN 14 HA ASN 14 -7.954 -0.389 9.721 119 HB2 ASN 14 HB2 ASN 14 -8.957 -2.560 9.183 120 HB3 ASN 14 HB3 ASN 14 -7.986 -3.340 10.365 121 HD21 ASN 14 HD21 ASN 14 -10.492 -0.994 9.922 122 HD22 ASN 14 HD22 ASN 14 -11.197 -1.154 11.484 123 H ARG 15 H ARG 15 -6.122 0.714 10.717 124 HA ARG 15 HA ARG 15 -4.365 -0.213 12.518 125 HB2 ARG 15 HB2 ARG 15 -3.810 1.908 12.379 126 HB3 ARG 15 HB3 ARG 15 -5.443 2.403 11.948 127 HG2 ARG 15 HG2 ARG 15 -6.051 2.770 14.171 128 HG3 ARG 15 HG3 ARG 15 -4.693 1.830 14.792 129 HD2 ARG 15 HD2 ARG 15 -4.336 4.381 13.231 130 HD3 ARG 15 HD3 ARG 15 -4.489 4.351 14.988 131 HE ARG 15 HE ARG 15 -2.189 3.639 13.444 132 HH11 ARG 15 HH11 ARG 15 -3.860 3.012 16.459 133 HH12 ARG 15 HH12 ARG 15 -2.430 2.496 17.285 134 HH21 ARG 15 HH21 ARG 15 -0.310 2.957 14.539 135 HH22 ARG 15 HH22 ARG 15 -0.414 2.465 16.197 136 H ILE 16 H ILE 16 -7.825 -0.167 13.216 137 HA ILE 16 HA ILE 16 -7.653 -0.112 15.980 138 HB ILE 16 HB ILE 16 -9.575 -1.277 14.048 139 HG12 ILE 16 HG12 ILE 16 -10.482 0.734 14.093 140 HG13 ILE 16 HG13 ILE 16 -10.615 0.672 15.815 141 HG21 ILE 16 HG21 ILE 16 -10.963 -1.656 16.066 142 HG22 ILE 16 HG22 ILE 16 -9.527 -1.249 17.020 143 HG23 ILE 16 HG23 ILE 16 -9.500 -2.663 15.955 144 HD11 ILE 16 HD11 ILE 16 -9.039 2.200 16.087 145 HD12 ILE 16 HD12 ILE 16 -9.240 2.520 14.360 146 HD13 ILE 16 HD13 ILE 16 -7.969 1.424 14.922 147 H THR 17 H THR 17 -7.868 -2.571 13.567 148 HA THR 17 HA THR 17 -6.976 -4.592 15.367 149 HB THR 17 HB THR 17 -8.086 -6.160 14.048 150 HG1 THR 17 HG1 THR 17 -7.361 -5.150 12.022 151 HG21 THR 17 HG21 THR 17 -10.328 -5.281 14.031 152 HG22 THR 17 HG22 THR 17 -9.687 -3.618 14.103 153 HG23 THR 17 HG23 THR 17 -9.432 -4.732 15.453 154 H GLY 18 H GLY 18 -5.541 -2.472 13.876 155 HA2 GLY 18 HA2 GLY 18 -3.872 -2.162 12.339 156 HA3 GLY 18 HA3 GLY 18 -3.055 -3.325 13.331 157 H LYS 19 H LYS 19 -5.914 -4.034 11.532 158 HA LYS 19 HA LYS 19 -4.815 -6.234 10.187 159 HB2 LYS 19 HB2 LYS 19 -7.365 -4.863 10.346 160 HB3 LYS 19 HB3 LYS 19 -7.045 -5.722 8.840 161 HG2 LYS 19 HG2 LYS 19 -6.526 -7.707 10.145 162 HG3 LYS 19 HG3 LYS 19 -7.025 -6.824 11.613 163 HD2 LYS 19 HD2 LYS 19 -9.082 -7.624 11.196 164 HD3 LYS 19 HD3 LYS 19 -9.139 -6.459 9.871 165 HE2 LYS 19 HE2 LYS 19 -8.454 -8.090 8.291 166 HE3 LYS 19 HE3 LYS 19 -8.021 -9.235 9.559 167 HZ1 LYS 19 HZ1 LYS 19 -10.113 -9.838 8.545 168 HZ2 LYS 19 HZ2 LYS 19 -10.770 -8.320 8.902 169 HZ3 LYS 19 HZ3 LYS 19 -10.371 -9.384 10.155 170 H ARG 20 H ARG 20 -4.739 -6.614 7.956 171 HA ARG 20 HA ARG 20 -4.594 -4.303 6.243 172 HB2 ARG 20 HB2 ARG 20 -2.508 -4.829 5.276 173 HB3 ARG 20 HB3 ARG 20 -2.328 -4.774 7.054 174 HG2 ARG 20 HG2 ARG 20 -1.331 -6.749 6.945 175 HG3 ARG 20 HG3 ARG 20 -2.885 -7.438 6.474 176 HD2 ARG 20 HD2 ARG 20 -2.373 -7.227 4.163 177 HD3 ARG 20 HD3 ARG 20 -0.960 -6.228 4.501 178 HE ARG 20 HE ARG 20 -0.734 -8.792 5.714 179 HH11 ARG 20 HH11 ARG 20 -0.434 -7.144 2.637 180 HH12 ARG 20 HH12 ARG 20 0.696 -8.289 1.997 181 HH21 ARG 20 HH21 ARG 20 0.753 -10.294 4.865 182 HH22 ARG 20 HH22 ARG 20 1.370 -10.078 3.261 183 H GLN 21 H GLN 21 -5.258 -4.556 4.281 184 HA GLN 21 HA GLN 21 -5.463 -7.151 3.053 185 HB2 GLN 21 HB2 GLN 21 -7.985 -6.000 2.747 186 HB3 GLN 21 HB3 GLN 21 -7.599 -7.528 3.472 187 HG2 GLN 21 HG2 GLN 21 -7.152 -6.187 5.573 188 HG3 GLN 21 HG3 GLN 21 -7.895 -4.861 4.737 189 HE21 GLN 21 HE21 GLN 21 -10.069 -5.483 3.748 190 HE22 GLN 21 HE22 GLN 21 -11.105 -6.369 4.789 191 H PHE 22 H PHE 22 -5.620 -6.921 0.762 192 HA PHE 22 HA PHE 22 -5.053 -4.241 -0.205 193 HB2 PHE 22 HB2 PHE 22 -5.507 -6.820 -1.731 194 HB3 PHE 22 HB3 PHE 22 -4.850 -5.339 -2.414 195 HD1 PHE 22 HD2 PHE 22 -2.764 -4.448 -0.812 196 HD2 PHE 22 HD1 PHE 22 -3.949 -8.475 -1.429 197 HE1 PHE 22 HE2 PHE 22 -0.513 -5.196 -0.229 198 HE2 PHE 22 HE1 PHE 22 -1.702 -9.231 -0.846 199 HZ PHE 22 HZ PHE 22 0.004 -7.581 -0.250 200 H GLU 23 H GLU 23 -7.560 -4.486 1.015 201 HA GLU 23 HA GLU 23 -9.480 -3.882 -1.093 202 HB2 GLU 23 HB2 GLU 23 -10.453 -5.860 -0.733 203 HB3 GLU 23 HB3 GLU 23 -9.365 -6.199 0.621 204 HG2 GLU 23 HG2 GLU 23 -10.821 -4.943 2.126 205 HG3 GLU 23 HG3 GLU 23 -11.894 -4.579 0.777 206 H ARG 24 H ARG 24 -11.284 -2.825 -0.477 207 HA ARG 24 HA ARG 24 -11.138 -1.358 2.048 208 HB2 ARG 24 HB2 ARG 24 -11.465 -0.019 0.038 209 HB3 ARG 24 HB3 ARG 24 -12.905 -0.949 -0.372 210 HG2 ARG 24 HG2 ARG 24 -13.689 -0.276 1.963 211 HG3 ARG 24 HG3 ARG 24 -12.470 1.005 1.831 212 HD2 ARG 24 HD2 ARG 24 -14.141 0.702 -0.547 213 HD3 ARG 24 HD3 ARG 24 -15.073 1.100 0.892 214 HE ARG 24 HE ARG 24 -14.053 3.167 0.989 215 HH11 ARG 24 HH11 ARG 24 -12.715 1.273 -1.636 216 HH12 ARG 24 HH12 ARG 24 -11.966 2.634 -2.396 217 HH21 ARG 24 HH21 ARG 24 -13.060 4.954 -0.019 218 HH22 ARG 24 HH22 ARG 24 -12.158 4.722 -1.479 219 HA PRO 25 HA PRO 25 -13.253 -4.990 3.447 220 HB2 PRO 25 HB2 PRO 25 -13.563 -3.423 5.806 221 HB3 PRO 25 HB3 PRO 25 -12.812 -4.971 5.571 222 HG2 PRO 25 HG2 PRO 25 -11.392 -2.722 5.935 223 HG3 PRO 25 HG3 PRO 25 -10.802 -4.051 5.043 224 HD2 PRO 25 HD2 PRO 25 -11.657 -1.459 4.040 225 HD3 PRO 25 HD3 PRO 25 -10.583 -2.685 3.357 226 H SER 26 H SER 26 -15.094 -5.728 3.733 227 HA SER 26 HA SER 26 -17.342 -4.725 2.687 228 HB2 SER 26 HB2 SER 26 -17.052 -7.040 3.131 229 HB3 SER 26 HB3 SER 26 -17.060 -6.697 4.868 230 HG SER 26 HG SER 26 -19.171 -6.675 4.826 231 H ASP 27 H ASP 27 -16.261 -4.559 5.838 232 HA ASP 27 HA ASP 27 -16.728 -3.112 7.526 233 HB2 ASP 27 HB2 ASP 27 -17.182 -1.193 6.644 234 HB3 ASP 27 HB3 ASP 27 -17.787 -1.980 5.191 235 H1 LYS 1 H1 LYS 1 -16.981 5.651 2.017 236 H2 LYS 1 H2 LYS 1 -17.044 5.440 3.719 237 H3 LYS 1 H3 LYS 1 -17.875 4.351 2.686 238 HA LYS 1 HA LYS 1 -15.872 3.522 1.818 239 HB2 LYS 1 HB2 LYS 1 -13.714 4.364 2.558 240 HB3 LYS 1 HB3 LYS 1 -14.664 5.677 1.880 241 HG2 LYS 1 HG2 LYS 1 -15.146 5.543 4.690 242 HG3 LYS 1 HG3 LYS 1 -13.407 5.542 4.398 243 HD2 LYS 1 HD2 LYS 1 -14.419 7.458 2.648 244 HD3 LYS 1 HD3 LYS 1 -15.321 7.699 4.143 245 HE2 LYS 1 HE2 LYS 1 -12.325 7.619 3.860 246 HE3 LYS 1 HE3 LYS 1 -13.308 9.062 4.083 247 HZ1 LYS 1 HZ1 LYS 1 -12.775 6.892 6.019 248 HZ2 LYS 1 HZ2 LYS 1 -14.082 7.948 6.216 249 HZ3 LYS 1 HZ3 LYS 1 -12.503 8.552 6.196 250 H LEU 2 H LEU 2 -14.294 2.092 3.037 251 HA LEU 2 HA LEU 2 -15.477 0.472 4.775 252 HB2 LEU 2 HB2 LEU 2 -13.473 -0.600 5.105 253 HB3 LEU 2 HB3 LEU 2 -13.305 0.190 3.560 254 HG LEU 2 HG LEU 2 -12.073 0.926 6.149 255 HD11 LEU 2 HD11 LEU 2 -10.620 -0.451 4.975 256 HD12 LEU 2 HD12 LEU 2 -10.145 1.192 4.467 257 HD13 LEU 2 HD13 LEU 2 -11.174 0.195 3.427 258 HD21 LEU 2 HD21 LEU 2 -13.200 2.776 4.989 259 HD22 LEU 2 HD22 LEU 2 -11.954 2.555 3.704 260 HD23 LEU 2 HD23 LEU 2 -11.482 2.981 5.350 261 HA PRO 3 HA PRO 3 -15.914 1.265 9.037 262 HB2 PRO 3 HB2 PRO 3 -13.863 -0.755 9.494 263 HB3 PRO 3 HB3 PRO 3 -15.518 -0.678 10.084 264 HG2 PRO 3 HG2 PRO 3 -14.827 -2.314 8.105 265 HG3 PRO 3 HG3 PRO 3 -16.393 -1.506 8.123 266 HD2 PRO 3 HD2 PRO 3 -13.987 -0.932 6.486 267 HD3 PRO 3 HD3 PRO 3 -15.679 -0.769 6.088 268 HA PRO 4 HA PRO 4 -13.022 3.748 11.184 269 HB2 PRO 4 HB2 PRO 4 -13.697 1.927 13.348 270 HB3 PRO 4 HB3 PRO 4 -13.655 3.664 13.325 271 HG2 PRO 4 HG2 PRO 4 -15.957 2.667 13.180 272 HG3 PRO 4 HG3 PRO 4 -15.510 3.763 11.884 273 HD2 PRO 4 HD2 PRO 4 -15.337 0.847 11.858 274 HD3 PRO 4 HD3 PRO 4 -16.209 1.904 10.784 275 H GLY 5 H GLY 5 -11.043 3.804 12.022 276 HA2 GLY 5 HA2 GLY 5 -8.937 3.041 12.562 277 HA3 GLY 5 HA3 GLY 5 -9.632 1.437 12.607 278 H TRP 6 H TRP 6 -10.706 1.716 9.816 279 HA TRP 6 HA TRP 6 -8.465 0.678 8.445 280 HB2 TRP 6 HB2 TRP 6 -11.284 1.213 7.805 281 HB3 TRP 6 HB3 TRP 6 -10.198 1.066 6.485 282 HD1 TRP 6 HD1 TRP 6 -12.593 -0.715 8.048 283 HE1 TRP 6 HE1 TRP 6 -12.247 -3.249 8.132 284 HE3 TRP 6 HE3 TRP 6 -7.847 -0.794 6.620 285 HZ2 TRP 6 HZ2 TRP 6 -10.100 -5.055 7.558 286 HZ3 TRP 6 HZ3 TRP 6 -6.694 -2.900 6.355 287 HH2 TRP 6 HH2 TRP 6 -7.755 -4.950 6.761 288 H GLU 7 H GLU 7 -7.208 1.630 6.936 289 HA GLU 7 HA GLU 7 -8.015 4.152 5.803 290 HB2 GLU 7 HB2 GLU 7 -5.258 4.019 6.990 291 HB3 GLU 7 HB3 GLU 7 -6.119 5.412 6.359 292 HG2 GLU 7 HG2 GLU 7 -7.378 4.091 8.666 293 HG3 GLU 7 HG3 GLU 7 -5.825 4.857 8.982 294 H LYS 8 H LYS 8 -7.981 3.593 3.806 295 HA LYS 8 HA LYS 8 -6.571 1.582 2.571 296 HB2 LYS 8 HB2 LYS 8 -8.418 3.188 1.540 297 HB3 LYS 8 HB3 LYS 8 -7.069 4.267 1.162 298 HG2 LYS 8 HG2 LYS 8 -6.011 2.509 -0.177 299 HG3 LYS 8 HG3 LYS 8 -7.360 1.431 0.175 300 HD2 LYS 8 HD2 LYS 8 -8.813 3.354 -0.800 301 HD3 LYS 8 HD3 LYS 8 -7.296 3.900 -1.515 302 HE2 LYS 8 HE2 LYS 8 -7.480 2.391 -3.132 303 HE3 LYS 8 HE3 LYS 8 -7.553 1.092 -1.944 304 HZ1 LYS 8 HZ1 LYS 8 -9.813 2.620 -3.101 305 HZ2 LYS 8 HZ2 LYS 8 -9.982 1.632 -1.739 306 HZ3 LYS 8 HZ3 LYS 8 -9.514 0.958 -3.217 307 H ARG 9 H ARG 9 -4.446 1.344 1.879 308 HA ARG 9 HA ARG 9 -2.670 3.699 2.005 309 HB2 ARG 9 HB2 ARG 9 -2.619 1.766 3.885 310 HB3 ARG 9 HB3 ARG 9 -1.514 1.063 2.712 311 HG2 ARG 9 HG2 ARG 9 0.053 2.717 2.989 312 HG3 ARG 9 HG3 ARG 9 -1.134 3.898 3.546 313 HD2 ARG 9 HD2 ARG 9 -0.133 1.515 5.098 314 HD3 ARG 9 HD3 ARG 9 0.268 3.192 5.401 315 HE ARG 9 HE ARG 9 -2.111 1.802 6.096 316 HH11 ARG 9 HH11 ARG 9 -0.685 4.969 5.569 317 HH12 ARG 9 HH12 ARG 9 -1.660 5.716 6.788 318 HH21 ARG 9 HH21 ARG 9 -3.225 2.715 7.635 319 HH22 ARG 9 HH22 ARG 9 -3.163 4.409 7.991 320 H CYS 10 H CYS 10 -0.661 3.496 0.748 321 HA CYS 10 HA CYS 10 -0.570 1.395 -1.253 322 HB2 CYS 10 HB2 CYS 10 -1.968 3.628 -1.973 323 HB3 CYS 10 HB3 CYS 10 -0.358 4.014 -2.553 324 H PHE 11 H PHE 11 1.420 0.739 -0.753 325 HA PHE 11 HA PHE 11 3.560 2.744 -0.858 326 HB2 PHE 11 HB2 PHE 11 4.969 1.309 0.471 327 HB3 PHE 11 HB3 PHE 11 3.396 1.382 1.274 328 HD1 PHE 11 HD2 PHE 11 5.624 -0.671 -0.823 329 HD2 PHE 11 HD1 PHE 11 2.090 -0.596 1.566 330 HE1 PHE 11 HE2 PHE 11 5.562 -3.144 -0.836 331 HE2 PHE 11 HE1 PHE 11 2.019 -3.064 1.550 332 HZ PHE 11 HZ PHE 11 3.756 -4.340 0.348 333 H TYR 12 H TYR 12 5.101 2.548 -2.437 334 HA TYR 12 HA TYR 12 4.662 0.624 -4.543 335 HB2 TYR 12 HB2 TYR 12 6.373 3.021 -4.180 336 HB3 TYR 12 HB3 TYR 12 7.039 1.767 -5.219 337 HD1 TYR 12 HD1 TYR 12 4.169 4.088 -4.789 338 HD2 TYR 12 HD2 TYR 12 6.064 1.322 -7.390 339 HE1 TYR 12 HE1 TYR 12 2.771 4.852 -6.574 340 HE2 TYR 12 HE2 TYR 12 4.732 2.086 -9.223 341 HH TYR 12 HH TYR 12 2.050 3.393 -9.124 342 H PHE 13 H PHE 13 6.087 -1.080 -5.071 343 HA PHE 13 HA PHE 13 8.257 -1.590 -3.106 344 HB2 PHE 13 HB2 PHE 13 6.139 -3.024 -2.753 345 HB3 PHE 13 HB3 PHE 13 6.609 -3.842 -4.246 346 HD1 PHE 13 HD2 PHE 13 7.589 -3.089 -0.810 347 HD2 PHE 13 HD1 PHE 13 8.542 -5.321 -4.305 348 HE1 PHE 13 HE2 PHE 13 9.136 -4.457 0.497 349 HE2 PHE 13 HE1 PHE 13 10.057 -6.738 -3.025 350 HZ PHE 13 HZ PHE 13 10.384 -6.307 -0.599 351 H ASN 14 H ASN 14 10.076 -1.605 -4.166 352 HA ASN 14 HA ASN 14 10.075 -2.357 -6.947 353 HB2 ASN 14 HB2 ASN 14 12.563 -1.665 -6.764 354 HB3 ASN 14 HB3 ASN 14 11.354 -0.429 -6.812 355 HD21 ASN 14 HD21 ASN 14 13.713 0.308 -5.980 356 HD22 ASN 14 HD22 ASN 14 13.731 0.542 -4.269 357 H ARG 15 H ARG 15 9.850 -4.608 -6.657 358 HA ARG 15 HA ARG 15 11.253 -6.098 -4.835 359 HB2 ARG 15 HB2 ARG 15 9.547 -7.262 -5.740 360 HB3 ARG 15 HB3 ARG 15 9.896 -6.754 -7.393 361 HG2 ARG 15 HG2 ARG 15 11.433 -8.402 -7.722 362 HG3 ARG 15 HG3 ARG 15 11.831 -8.529 -6.009 363 HD2 ARG 15 HD2 ARG 15 10.581 -10.499 -6.865 364 HD3 ARG 15 HD3 ARG 15 9.753 -9.668 -5.552 365 HE ARG 15 HE ARG 15 8.962 -9.730 -8.364 366 HH11 ARG 15 HH11 ARG 15 8.297 -8.629 -5.099 367 HH12 ARG 15 HH12 ARG 15 6.653 -8.216 -5.448 368 HH21 ARG 15 HH21 ARG 15 6.796 -9.182 -8.806 369 HH22 ARG 15 HH22 ARG 15 5.801 -8.530 -7.547 370 H ILE 16 H ILE 16 12.717 -4.308 -7.359 371 HA ILE 16 HA ILE 16 14.807 -5.988 -8.046 372 HB ILE 16 HB ILE 16 14.673 -3.034 -7.849 373 HG12 ILE 16 HG12 ILE 16 13.115 -3.535 -9.415 374 HG13 ILE 16 HG13 ILE 16 14.534 -3.418 -10.378 375 HG21 ILE 16 HG21 ILE 16 16.613 -4.952 -9.015 376 HG22 ILE 16 HG22 ILE 16 16.873 -3.783 -7.710 377 HG23 ILE 16 HG23 ILE 16 16.620 -3.220 -9.379 378 HD11 ILE 16 HD11 ILE 16 14.616 -5.703 -10.776 379 HD12 ILE 16 HD12 ILE 16 12.897 -5.281 -10.899 380 HD13 ILE 16 HD13 ILE 16 13.533 -6.046 -9.424 381 H THR 17 H THR 17 14.327 -3.389 -5.822 382 HA THR 17 HA THR 17 16.531 -4.186 -4.191 383 HB THR 17 HB THR 17 17.001 -2.014 -3.728 384 HG1 THR 17 HG1 THR 17 14.848 -1.542 -2.989 385 HG21 THR 17 HG21 THR 17 17.224 -2.528 -6.100 386 HG22 THR 17 HG22 THR 17 16.974 -0.808 -5.782 387 HG23 THR 17 HG23 THR 17 15.638 -1.810 -6.399 388 H GLY 18 H GLY 18 13.737 -5.067 -4.447 389 HA2 GLY 18 HA2 GLY 18 11.785 -5.250 -3.252 390 HA3 GLY 18 HA3 GLY 18 12.873 -5.982 -2.115 391 H LYS 19 H LYS 19 12.881 -2.594 -3.046 392 HA LYS 19 HA LYS 19 12.575 -1.819 -0.297 393 HB2 LYS 19 HB2 LYS 19 13.416 -0.608 -2.795 394 HB3 LYS 19 HB3 LYS 19 12.650 0.467 -1.620 395 HG2 LYS 19 HG2 LYS 19 14.209 -0.513 0.044 396 HG3 LYS 19 HG3 LYS 19 15.075 -1.219 -1.344 397 HD2 LYS 19 HD2 LYS 19 15.654 0.910 -2.175 398 HD3 LYS 19 HD3 LYS 19 14.475 1.729 -1.147 399 HE2 LYS 19 HE2 LYS 19 16.321 2.175 0.087 400 HE3 LYS 19 HE3 LYS 19 15.962 0.580 0.750 401 HZ1 LYS 19 HZ1 LYS 19 17.867 1.112 -1.469 402 HZ2 LYS 19 HZ2 LYS 19 17.558 -0.391 -0.757 403 HZ3 LYS 19 HZ3 LYS 19 18.305 0.832 0.141 404 H ARG 20 H ARG 20 11.156 -0.124 0.381 405 HA ARG 20 HA ARG 20 8.677 -0.052 -1.145 406 HB2 ARG 20 HB2 ARG 20 7.304 -0.303 0.762 407 HB3 ARG 20 HB3 ARG 20 8.542 -1.594 0.774 408 HG2 ARG 20 HG2 ARG 20 9.235 0.840 2.278 409 HG3 ARG 20 HG3 ARG 20 7.896 -0.107 2.927 410 HD2 ARG 20 HD2 ARG 20 9.270 -2.077 3.032 411 HD3 ARG 20 HD3 ARG 20 10.590 -1.251 2.207 412 HE ARG 20 HE ARG 20 11.158 -0.218 4.183 413 HH11 ARG 20 HH11 ARG 20 8.061 -1.809 4.570 414 HH12 ARG 20 HH12 ARG 20 8.035 -1.607 6.289 415 HH21 ARG 20 HH21 ARG 20 11.116 0.043 6.448 416 HH22 ARG 20 HH22 ARG 20 9.768 -0.555 7.355 417 H GLN 21 H GLN 21 7.521 1.705 -1.210 418 HA GLN 21 HA GLN 21 8.409 4.122 0.208 419 HB2 GLN 21 HB2 GLN 21 7.659 3.984 -2.662 420 HB3 GLN 21 HB3 GLN 21 8.425 5.339 -1.833 421 HG2 GLN 21 HG2 GLN 21 10.062 3.029 -1.676 422 HG3 GLN 21 HG3 GLN 21 9.515 3.259 -3.296 423 HE21 GLN 21 HE21 GLN 21 9.660 5.583 -4.059 424 HE22 GLN 21 HE22 GLN 21 11.139 6.366 -3.695 425 H PHE 22 H PHE 22 6.667 5.875 -0.162 426 HA PHE 22 HA PHE 22 3.992 4.635 -0.429 427 HB2 PHE 22 HB2 PHE 22 5.073 6.750 1.364 428 HB3 PHE 22 HB3 PHE 22 3.457 7.023 0.726 429 HD1 PHE 22 HD2 PHE 22 5.058 3.814 1.709 430 HD2 PHE 22 HD1 PHE 22 2.053 6.701 2.580 431 HE1 PHE 22 HE2 PHE 22 4.137 2.329 3.428 432 HE2 PHE 22 HE1 PHE 22 1.125 5.222 4.301 433 HZ PHE 22 HZ PHE 22 2.175 3.044 4.712 434 H GLU 23 H GLU 23 5.823 5.434 -2.430 435 HA GLU 23 HA GLU 23 4.421 7.433 -4.023 436 HB2 GLU 23 HB2 GLU 23 6.078 8.903 -3.635 437 HB3 GLU 23 HB3 GLU 23 6.898 7.714 -2.616 438 HG2 GLU 23 HG2 GLU 23 7.843 6.718 -4.752 439 HG3 GLU 23 HG3 GLU 23 7.248 8.168 -5.561 440 H ARG 24 H ARG 24 5.198 7.573 -6.148 441 HA ARG 24 HA ARG 24 6.147 5.022 -7.216 442 HB2 ARG 24 HB2 ARG 24 4.104 5.738 -8.207 443 HB3 ARG 24 HB3 ARG 24 4.740 7.355 -8.478 444 HG2 ARG 24 HG2 ARG 24 6.202 6.627 -10.105 445 HG3 ARG 24 HG3 ARG 24 5.959 4.929 -9.692 446 HD2 ARG 24 HD2 ARG 24 3.459 6.214 -10.288 447 HD3 ARG 24 HD3 ARG 24 4.573 6.422 -11.638 448 HE ARG 24 HE ARG 24 3.398 3.954 -10.659 449 HH11 ARG 24 HH11 ARG 24 5.607 5.468 -12.885 450 HH12 ARG 24 HH12 ARG 24 5.754 4.073 -13.895 451 HH21 ARG 24 HH21 ARG 24 3.571 2.113 -11.993 452 HH22 ARG 24 HH22 ARG 24 4.593 2.166 -13.391 453 HA PRO 25 HA PRO 25 10.076 7.073 -6.303 454 HB2 PRO 25 HB2 PRO 25 10.952 4.922 -7.979 455 HB3 PRO 25 HB3 PRO 25 11.426 5.376 -6.369 456 HG2 PRO 25 HG2 PRO 25 9.580 3.366 -7.036 457 HG3 PRO 25 HG3 PRO 25 9.934 3.985 -5.473 458 HD2 PRO 25 HD2 PRO 25 7.501 4.243 -6.738 459 HD3 PRO 25 HD3 PRO 25 8.063 5.131 -5.338 460 H SER 26 H SER 26 11.399 8.306 -7.134 461 HA SER 26 HA SER 26 10.947 9.859 -9.271 462 HB2 SER 26 HB2 SER 26 12.418 10.503 -7.525 463 HB3 SER 26 HB3 SER 26 13.524 9.199 -7.984 464 HG SER 26 HG SER 26 14.335 10.458 -9.468 465 H ASP 27 H ASP 27 12.794 7.091 -9.036 466 HA ASP 27 HA ASP 27 13.472 5.577 -10.579 467 HB2 ASP 27 HB2 ASP 27 11.862 5.438 -12.013 468 HB3 ASP 27 HB3 ASP 27 11.458 7.134 -11.781 Start of MODEL 20 1 H1 LYS 1 H1 LYS 1 5.775 7.269 -15.282 2 H2 LYS 1 H2 LYS 1 5.405 8.239 -13.916 3 H3 LYS 1 H3 LYS 1 4.148 7.691 -14.947 4 HA LYS 1 HA LYS 1 4.331 6.487 -12.838 5 HB2 LYS 1 HB2 LYS 1 4.094 4.304 -13.886 6 HB3 LYS 1 HB3 LYS 1 3.256 5.532 -14.824 7 HG2 LYS 1 HG2 LYS 1 6.033 4.984 -15.631 8 HG3 LYS 1 HG3 LYS 1 4.890 3.664 -15.875 9 HD2 LYS 1 HD2 LYS 1 3.972 4.689 -17.631 10 HD3 LYS 1 HD3 LYS 1 3.771 6.189 -16.727 11 HE2 LYS 1 HE2 LYS 1 5.203 6.331 -18.787 12 HE3 LYS 1 HE3 LYS 1 5.928 6.939 -17.302 13 HZ1 LYS 1 HZ1 LYS 1 7.300 5.420 -18.846 14 HZ2 LYS 1 HZ2 LYS 1 6.414 4.158 -18.153 15 HZ3 LYS 1 HZ3 LYS 1 7.368 5.156 -17.176 16 H LEU 2 H LEU 2 5.424 4.635 -11.770 17 HA LEU 2 HA LEU 2 8.182 5.134 -11.674 18 HB2 LEU 2 HB2 LEU 2 8.310 4.076 -9.716 19 HB3 LEU 2 HB3 LEU 2 6.623 4.535 -9.743 20 HG LEU 2 HG LEU 2 7.844 1.855 -10.045 21 HD11 LEU 2 HD11 LEU 2 7.215 2.277 -7.847 22 HD12 LEU 2 HD12 LEU 2 5.792 1.435 -8.528 23 HD13 LEU 2 HD13 LEU 2 5.810 3.201 -8.375 24 HD21 LEU 2 HD21 LEU 2 6.016 0.965 -10.986 25 HD22 LEU 2 HD22 LEU 2 6.215 2.494 -11.839 26 HD23 LEU 2 HD23 LEU 2 4.998 2.333 -10.512 27 HA PRO 3 HA PRO 3 10.512 2.278 -13.981 28 HB2 PRO 3 HB2 PRO 3 12.024 1.743 -11.589 29 HB3 PRO 3 HB3 PRO 3 12.510 2.567 -13.069 30 HG2 PRO 3 HG2 PRO 3 12.119 3.890 -10.798 31 HG3 PRO 3 HG3 PRO 3 11.713 4.584 -12.361 32 HD2 PRO 3 HD2 PRO 3 9.901 3.360 -10.335 33 HD3 PRO 3 HD3 PRO 3 9.723 4.813 -11.261 34 HA PRO 4 HA PRO 4 10.118 -2.071 -13.601 35 HB2 PRO 4 HB2 PRO 4 13.023 -1.958 -13.680 36 HB3 PRO 4 HB3 PRO 4 11.923 -2.930 -14.608 37 HG2 PRO 4 HG2 PRO 4 12.858 -0.951 -15.836 38 HG3 PRO 4 HG3 PRO 4 11.107 -1.044 -15.755 39 HD2 PRO 4 HD2 PRO 4 12.870 0.477 -13.997 40 HD3 PRO 4 HD3 PRO 4 11.561 1.043 -14.992 41 H GLY 5 H GLY 5 10.450 -3.806 -12.326 42 HA2 GLY 5 HA2 GLY 5 10.932 -4.946 -10.382 43 HA3 GLY 5 HA3 GLY 5 12.013 -3.635 -9.997 44 H TRP 6 H TRP 6 9.884 -1.594 -10.288 45 HA TRP 6 HA TRP 6 9.000 -1.546 -7.622 46 HB2 TRP 6 HB2 TRP 6 8.710 0.142 -9.998 47 HB3 TRP 6 HB3 TRP 6 7.529 0.354 -8.777 48 HD1 TRP 6 HD1 TRP 6 10.296 1.870 -9.987 49 HE1 TRP 6 HE1 TRP 6 11.698 3.142 -8.283 50 HE3 TRP 6 HE3 TRP 6 8.298 -0.033 -5.858 51 HZ2 TRP 6 HZ2 TRP 6 11.864 3.291 -5.486 52 HZ3 TRP 6 HZ3 TRP 6 9.090 0.704 -3.699 53 HH2 TRP 6 HH2 TRP 6 10.775 2.308 -3.500 54 H GLU 7 H GLU 7 6.995 -1.906 -6.793 55 HA GLU 7 HA GLU 7 4.799 -2.343 -8.609 56 HB2 GLU 7 HB2 GLU 7 5.077 -4.445 -6.516 57 HB3 GLU 7 HB3 GLU 7 4.224 -4.487 -8.046 58 HG2 GLU 7 HG2 GLU 7 5.920 -5.545 -9.001 59 HG3 GLU 7 HG3 GLU 7 7.024 -4.247 -8.561 60 H LYS 8 H LYS 8 3.522 -0.884 -7.917 61 HA LYS 8 HA LYS 8 3.333 0.289 -5.425 62 HB2 LYS 8 HB2 LYS 8 2.057 1.002 -7.595 63 HB3 LYS 8 HB3 LYS 8 0.931 -0.318 -7.266 64 HG2 LYS 8 HG2 LYS 8 0.402 0.751 -5.054 65 HG3 LYS 8 HG3 LYS 8 1.363 2.136 -5.570 66 HD2 LYS 8 HD2 LYS 8 -0.955 2.578 -6.037 67 HD3 LYS 8 HD3 LYS 8 -0.103 2.350 -7.565 68 HE2 LYS 8 HE2 LYS 8 -0.937 0.086 -7.734 69 HE3 LYS 8 HE3 LYS 8 -1.698 0.216 -6.150 70 HZ1 LYS 8 HZ1 LYS 8 -2.406 1.882 -8.505 71 HZ2 LYS 8 HZ2 LYS 8 -3.183 1.884 -7.003 72 HZ3 LYS 8 HZ3 LYS 8 -3.267 0.517 -7.996 73 H ARG 9 H ARG 9 2.224 -0.243 -3.498 74 HA ARG 9 HA ARG 9 0.651 -2.726 -3.449 75 HB2 ARG 9 HB2 ARG 9 3.221 -2.799 -2.658 76 HB3 ARG 9 HB3 ARG 9 2.476 -2.288 -1.150 77 HG2 ARG 9 HG2 ARG 9 2.398 -4.539 -0.872 78 HG3 ARG 9 HG3 ARG 9 0.846 -4.292 -1.674 79 HD2 ARG 9 HD2 ARG 9 2.125 -6.182 -2.631 80 HD3 ARG 9 HD3 ARG 9 1.828 -4.919 -3.808 81 HE ARG 9 HE ARG 9 4.028 -4.568 -3.944 82 HH11 ARG 9 HH11 ARG 9 3.440 -6.452 -1.037 83 HH12 ARG 9 HH12 ARG 9 5.081 -6.996 -0.944 84 HH21 ARG 9 HH21 ARG 9 5.993 -5.316 -3.862 85 HH22 ARG 9 HH22 ARG 9 6.589 -6.320 -2.581 86 H CYS 10 H CYS 10 -1.280 -1.667 -3.086 87 HA CYS 10 HA CYS 10 -1.427 0.094 -0.736 88 HB2 CYS 10 HB2 CYS 10 -3.712 -0.227 -2.633 89 HB3 CYS 10 HB3 CYS 10 -3.250 1.162 -1.663 90 H PHE 11 H PHE 11 -1.617 -1.219 0.989 91 HA PHE 11 HA PHE 11 -3.783 -3.195 0.985 92 HB2 PHE 11 HB2 PHE 11 -2.742 -4.187 2.958 93 HB3 PHE 11 HB3 PHE 11 -1.521 -3.991 1.690 94 HD1 PHE 11 HD1 PHE 11 -2.821 -2.608 4.841 95 HD2 PHE 11 HD2 PHE 11 0.406 -2.671 2.068 96 HE1 PHE 11 HE1 PHE 11 -1.409 -1.399 6.460 97 HE2 PHE 11 HE2 PHE 11 1.820 -1.461 3.678 98 HZ PHE 11 HZ PHE 11 0.914 -0.826 5.877 99 H TYR 12 H TYR 12 -5.472 -3.068 2.468 100 HA TYR 12 HA TYR 12 -5.762 -0.495 3.812 101 HB2 TYR 12 HB2 TYR 12 -7.636 -2.670 3.030 102 HB3 TYR 12 HB3 TYR 12 -8.056 -1.725 4.457 103 HD1 TYR 12 HD1 TYR 12 -8.510 0.693 4.271 104 HD2 TYR 12 HD2 TYR 12 -7.568 -1.627 0.826 105 HE1 TYR 12 HE1 TYR 12 -9.233 2.462 2.865 106 HE2 TYR 12 HE2 TYR 12 -8.305 0.146 -0.599 107 HH TYR 12 HH TYR 12 -8.977 3.317 0.595 108 H PHE 13 H PHE 13 -5.777 -0.325 6.066 109 HA PHE 13 HA PHE 13 -5.266 -2.891 7.410 110 HB2 PHE 13 HB2 PHE 13 -3.306 -1.181 7.157 111 HB3 PHE 13 HB3 PHE 13 -4.099 -0.384 8.522 112 HD1 PHE 13 HD2 PHE 13 -4.886 -2.063 10.440 113 HD2 PHE 13 HD1 PHE 13 -1.723 -2.873 7.663 114 HE1 PHE 13 HE2 PHE 13 -3.950 -3.565 11.882 115 HE2 PHE 13 HE1 PHE 13 -0.784 -4.479 9.291 116 HZ PHE 13 HZ PHE 13 -1.977 -4.808 11.478 117 H ASN 14 H ASN 14 -6.769 -3.498 8.640 118 HA ASN 14 HA ASN 14 -8.453 -1.539 9.923 119 HB2 ASN 14 HB2 ASN 14 -9.273 -3.588 8.455 120 HB3 ASN 14 HB3 ASN 14 -9.144 -4.408 9.969 121 HD21 ASN 14 HD21 ASN 14 -10.013 -1.112 9.521 122 HD22 ASN 14 HD22 ASN 14 -11.559 -1.193 10.217 123 H ARG 15 H ARG 15 -9.498 -3.338 11.786 124 HA ARG 15 HA ARG 15 -9.096 -4.337 13.784 125 HB2 ARG 15 HB2 ARG 15 -6.823 -4.883 12.288 126 HB3 ARG 15 HB3 ARG 15 -6.318 -4.508 13.919 127 HG2 ARG 15 HG2 ARG 15 -8.435 -6.548 13.281 128 HG3 ARG 15 HG3 ARG 15 -6.722 -6.943 13.445 129 HD2 ARG 15 HD2 ARG 15 -7.750 -7.401 15.548 130 HD3 ARG 15 HD3 ARG 15 -6.805 -5.925 15.741 131 HE ARG 15 HE ARG 15 -8.734 -4.800 16.194 132 HH11 ARG 15 HH11 ARG 15 -9.589 -7.807 14.609 133 HH12 ARG 15 HH12 ARG 15 -11.290 -7.582 14.833 134 HH21 ARG 15 HH21 ARG 15 -10.978 -4.514 16.484 135 HH22 ARG 15 HH22 ARG 15 -12.079 -5.715 15.896 136 H ILE 16 H ILE 16 -9.288 -1.535 13.354 137 HA ILE 16 HA ILE 16 -8.928 0.430 14.278 138 HB ILE 16 HB ILE 16 -8.378 -1.563 16.166 139 HG12 ILE 16 HG12 ILE 16 -10.496 -0.517 15.924 140 HG13 ILE 16 HG13 ILE 16 -9.829 0.014 17.435 141 HG21 ILE 16 HG21 ILE 16 -7.244 1.165 16.492 142 HG22 ILE 16 HG22 ILE 16 -6.327 -0.307 16.158 143 HG23 ILE 16 HG23 ILE 16 -7.190 -0.123 17.707 144 HD11 ILE 16 HD11 ILE 16 -10.360 1.546 14.966 145 HD12 ILE 16 HD12 ILE 16 -8.988 2.038 15.969 146 HD13 ILE 16 HD13 ILE 16 -10.611 2.005 16.657 147 H THR 17 H THR 17 -7.001 -1.467 12.933 148 HA THR 17 HA THR 17 -5.499 -1.329 11.560 149 HB THR 17 HB THR 17 -3.934 0.408 11.361 150 HG1 THR 17 HG1 THR 17 -3.507 0.877 13.608 151 HG21 THR 17 HG21 THR 17 -6.656 0.388 11.167 152 HG22 THR 17 HG22 THR 17 -5.556 1.550 10.386 153 HG23 THR 17 HG23 THR 17 -6.325 1.966 11.924 154 H GLY 18 H GLY 18 -5.775 -3.017 13.137 155 HA2 GLY 18 HA2 GLY 18 -3.135 -3.977 13.956 156 HA3 GLY 18 HA3 GLY 18 -4.619 -4.533 14.623 157 H LYS 19 H LYS 19 -5.521 -4.276 11.431 158 HA LYS 19 HA LYS 19 -4.470 -6.887 10.610 159 HB2 LYS 19 HB2 LYS 19 -6.490 -7.737 10.284 160 HB3 LYS 19 HB3 LYS 19 -6.920 -6.554 11.534 161 HG2 LYS 19 HG2 LYS 19 -7.515 -4.956 9.811 162 HG3 LYS 19 HG3 LYS 19 -7.125 -6.163 8.577 163 HD2 LYS 19 HD2 LYS 19 -9.187 -6.657 10.721 164 HD3 LYS 19 HD3 LYS 19 -9.592 -5.929 9.167 165 HE2 LYS 19 HE2 LYS 19 -8.077 -8.501 9.236 166 HE3 LYS 19 HE3 LYS 19 -9.816 -8.511 9.522 167 HZ1 LYS 19 HZ1 LYS 19 -9.831 -7.086 7.352 168 HZ2 LYS 19 HZ2 LYS 19 -9.733 -8.772 7.267 169 HZ3 LYS 19 HZ3 LYS 19 -8.338 -7.835 7.079 170 H ARG 20 H ARG 20 -4.515 -7.304 8.323 171 HA ARG 20 HA ARG 20 -4.833 -4.951 6.620 172 HB2 ARG 20 HB2 ARG 20 -2.796 -5.216 5.518 173 HB3 ARG 20 HB3 ARG 20 -2.434 -5.559 7.225 174 HG2 ARG 20 HG2 ARG 20 -2.921 -8.040 6.485 175 HG3 ARG 20 HG3 ARG 20 -2.511 -7.404 4.891 176 HD2 ARG 20 HD2 ARG 20 -0.461 -8.125 5.675 177 HD3 ARG 20 HD3 ARG 20 -0.440 -6.412 6.093 178 HE ARG 20 HE ARG 20 -1.375 -7.433 8.347 179 HH11 ARG 20 HH11 ARG 20 1.269 -8.561 6.342 180 HH12 ARG 20 HH12 ARG 20 2.134 -9.261 7.667 181 HH21 ARG 20 HH21 ARG 20 -0.226 -8.357 10.085 182 HH22 ARG 20 HH22 ARG 20 1.287 -9.146 9.790 183 H GLN 21 H GLN 21 -5.463 -5.206 4.496 184 HA GLN 21 HA GLN 21 -6.720 -7.802 3.896 185 HB2 GLN 21 HB2 GLN 21 -7.581 -5.017 3.428 186 HB3 GLN 21 HB3 GLN 21 -8.281 -6.359 2.535 187 HG2 GLN 21 HG2 GLN 21 -8.263 -6.755 5.377 188 HG3 GLN 21 HG3 GLN 21 -9.038 -5.308 4.868 189 HE21 GLN 21 HE21 GLN 21 -10.655 -5.443 3.217 190 HE22 GLN 21 HE22 GLN 21 -11.674 -6.823 3.221 191 H PHE 22 H PHE 22 -5.028 -5.123 2.579 192 HA PHE 22 HA PHE 22 -3.905 -4.791 0.562 193 HB2 PHE 22 HB2 PHE 22 -4.179 -7.645 0.760 194 HB3 PHE 22 HB3 PHE 22 -4.414 -7.133 -0.906 195 HD1 PHE 22 HD1 PHE 22 -2.166 -6.401 1.937 196 HD2 PHE 22 HD2 PHE 22 -2.506 -7.070 -2.224 197 HE1 PHE 22 HE1 PHE 22 0.263 -6.184 1.719 198 HE2 PHE 22 HE2 PHE 22 -0.081 -6.865 -2.466 199 HZ PHE 22 HZ PHE 22 1.288 -6.424 -0.488 200 H GLU 23 H GLU 23 -6.841 -4.628 1.251 201 HA GLU 23 HA GLU 23 -8.024 -4.092 -1.351 202 HB2 GLU 23 HB2 GLU 23 -9.245 -5.965 -1.204 203 HB3 GLU 23 HB3 GLU 23 -8.586 -6.309 0.406 204 HG2 GLU 23 HG2 GLU 23 -10.268 -4.858 1.430 205 HG3 GLU 23 HG3 GLU 23 -10.903 -4.473 -0.171 206 H ARG 24 H ARG 24 -9.780 -2.852 -1.360 207 HA ARG 24 HA ARG 24 -10.146 -1.109 0.925 208 HB2 ARG 24 HB2 ARG 24 -10.102 -0.188 -1.362 209 HB3 ARG 24 HB3 ARG 24 -11.503 -1.165 -1.769 210 HG2 ARG 24 HG2 ARG 24 -12.903 0.073 -0.492 211 HG3 ARG 24 HG3 ARG 24 -11.603 0.695 0.525 212 HD2 ARG 24 HD2 ARG 24 -10.828 1.695 -1.813 213 HD3 ARG 24 HD3 ARG 24 -12.567 1.649 -2.101 214 HE ARG 24 HE ARG 24 -11.144 3.436 -0.402 215 HH11 ARG 24 HH11 ARG 24 -14.226 1.820 -0.801 216 HH12 ARG 24 HH12 ARG 24 -15.097 2.989 0.132 217 HH21 ARG 24 HH21 ARG 24 -12.300 4.971 0.830 218 HH22 ARG 24 HH22 ARG 24 -14.006 4.776 1.058 219 HA PRO 25 HA PRO 25 -12.945 -4.272 2.416 220 HB2 PRO 25 HB2 PRO 25 -13.226 -2.391 4.557 221 HB3 PRO 25 HB3 PRO 25 -12.724 -4.055 4.607 222 HG2 PRO 25 HG2 PRO 25 -10.973 -2.126 5.020 223 HG3 PRO 25 HG3 PRO 25 -10.541 -3.522 4.090 224 HD2 PRO 25 HD2 PRO 25 -11.242 -0.798 3.058 225 HD3 PRO 25 HD3 PRO 25 -9.963 -1.937 2.567 226 H SER 26 H SER 26 -15.050 -4.455 3.010 227 HA SER 26 HA SER 26 -16.992 -3.750 1.509 228 HB2 SER 26 HB2 SER 26 -17.383 -5.064 3.439 229 HB3 SER 26 HB3 SER 26 -17.182 -3.637 4.463 230 HG SER 26 HG SER 26 -19.174 -3.063 4.035 231 H ASP 27 H ASP 27 -15.890 -1.680 3.927 232 HA ASP 27 HA ASP 27 -15.912 0.562 4.171 233 HB2 ASP 27 HB2 ASP 27 -15.248 1.219 2.233 234 HB3 ASP 27 HB3 ASP 27 -16.172 -0.046 1.423 235 H1 LYS 1 H1 LYS 1 -17.371 6.891 4.110 236 H2 LYS 1 H2 LYS 1 -17.282 5.882 2.725 237 H3 LYS 1 H3 LYS 1 -16.936 7.557 2.592 238 HA LYS 1 HA LYS 1 -14.901 6.464 2.567 239 HB2 LYS 1 HB2 LYS 1 -15.505 7.523 5.344 240 HB3 LYS 1 HB3 LYS 1 -13.892 7.281 4.699 241 HG2 LYS 1 HG2 LYS 1 -14.018 9.111 3.318 242 HG3 LYS 1 HG3 LYS 1 -15.785 9.070 3.236 243 HD2 LYS 1 HD2 LYS 1 -15.955 9.884 5.489 244 HD3 LYS 1 HD3 LYS 1 -14.210 9.773 5.704 245 HE2 LYS 1 HE2 LYS 1 -14.955 12.069 5.303 246 HE3 LYS 1 HE3 LYS 1 -13.861 11.492 4.050 247 HZ1 LYS 1 HZ1 LYS 1 -15.921 12.751 3.311 248 HZ2 LYS 1 HZ2 LYS 1 -16.799 11.366 3.724 249 HZ3 LYS 1 HZ3 LYS 1 -15.604 11.284 2.529 250 H LEU 2 H LEU 2 -13.272 5.329 4.098 251 HA LEU 2 HA LEU 2 -13.818 2.648 4.256 252 HB2 LEU 2 HB2 LEU 2 -11.943 4.388 5.772 253 HB3 LEU 2 HB3 LEU 2 -12.037 2.667 6.022 254 HG LEU 2 HG LEU 2 -11.388 3.923 3.380 255 HD11 LEU 2 HD11 LEU 2 -9.884 3.633 5.759 256 HD12 LEU 2 HD12 LEU 2 -9.358 4.238 4.188 257 HD13 LEU 2 HD13 LEU 2 -9.241 2.505 4.559 258 HD21 LEU 2 HD21 LEU 2 -10.461 1.253 3.905 259 HD22 LEU 2 HD22 LEU 2 -11.426 1.856 2.547 260 HD23 LEU 2 HD23 LEU 2 -12.215 1.345 4.044 261 HA PRO 3 HA PRO 3 -16.110 1.712 7.931 262 HB2 PRO 3 HB2 PRO 3 -14.528 -0.685 8.111 263 HB3 PRO 3 HB3 PRO 3 -16.246 -0.502 7.782 264 HG2 PRO 3 HG2 PRO 3 -14.558 -1.281 5.867 265 HG3 PRO 3 HG3 PRO 3 -15.936 -0.256 5.534 266 HD2 PRO 3 HD2 PRO 3 -13.042 0.536 5.816 267 HD3 PRO 3 HD3 PRO 3 -14.256 1.000 4.619 268 HA PRO 4 HA PRO 4 -13.849 2.856 11.468 269 HB2 PRO 4 HB2 PRO 4 -15.023 0.397 12.502 270 HB3 PRO 4 HB3 PRO 4 -14.864 1.958 13.249 271 HG2 PRO 4 HG2 PRO 4 -17.135 1.494 12.269 272 HG3 PRO 4 HG3 PRO 4 -16.332 2.940 11.685 273 HD2 PRO 4 HD2 PRO 4 -16.425 0.319 10.414 274 HD3 PRO 4 HD3 PRO 4 -16.831 1.880 9.759 275 H GLY 5 H GLY 5 -12.044 2.615 12.460 276 HA2 GLY 5 HA2 GLY 5 -9.960 1.843 12.923 277 HA3 GLY 5 HA3 GLY 5 -10.690 0.260 12.876 278 H TRP 6 H TRP 6 -11.056 1.767 9.806 279 HA TRP 6 HA TRP 6 -8.875 0.102 8.779 280 HB2 TRP 6 HB2 TRP 6 -11.365 1.211 7.677 281 HB3 TRP 6 HB3 TRP 6 -10.076 1.070 6.529 282 HD1 TRP 6 HD1 TRP 6 -12.931 -0.513 7.436 283 HE1 TRP 6 HE1 TRP 6 -12.953 -3.024 7.180 284 HE3 TRP 6 HE3 TRP 6 -8.046 -1.191 6.772 285 HZ2 TRP 6 HZ2 TRP 6 -11.063 -5.058 6.671 286 HZ3 TRP 6 HZ3 TRP 6 -7.213 -3.448 6.358 287 HH2 TRP 6 HH2 TRP 6 -8.622 -5.276 6.320 288 H GLU 7 H GLU 7 -7.409 0.947 7.255 289 HA GLU 7 HA GLU 7 -7.490 3.719 6.564 290 HB2 GLU 7 HB2 GLU 7 -5.462 4.458 7.548 291 HB3 GLU 7 HB3 GLU 7 -6.336 3.648 8.838 292 HG2 GLU 7 HG2 GLU 7 -4.943 1.683 8.589 293 HG3 GLU 7 HG3 GLU 7 -4.108 2.421 7.223 294 H LYS 8 H LYS 8 -6.886 3.918 4.549 295 HA LYS 8 HA LYS 8 -5.751 1.658 3.184 296 HB2 LYS 8 HB2 LYS 8 -7.493 3.366 2.195 297 HB3 LYS 8 HB3 LYS 8 -6.119 4.467 2.022 298 HG2 LYS 8 HG2 LYS 8 -4.983 2.606 0.689 299 HG3 LYS 8 HG3 LYS 8 -6.573 1.852 0.616 300 HD2 LYS 8 HD2 LYS 8 -6.751 3.085 -1.272 301 HD3 LYS 8 HD3 LYS 8 -7.220 4.352 -0.137 302 HE2 LYS 8 HE2 LYS 8 -5.606 5.465 -1.308 303 HE3 LYS 8 HE3 LYS 8 -4.611 4.747 -0.042 304 HZ1 LYS 8 HZ1 LYS 8 -4.797 4.047 -2.883 305 HZ2 LYS 8 HZ2 LYS 8 -4.436 2.816 -1.780 306 HZ3 LYS 8 HZ3 LYS 8 -3.432 4.172 -1.891 307 H ARG 9 H ARG 9 -3.634 1.275 3.188 308 HA ARG 9 HA ARG 9 -1.739 3.536 3.134 309 HB2 ARG 9 HB2 ARG 9 -1.837 2.352 5.356 310 HB3 ARG 9 HB3 ARG 9 -1.267 0.901 4.541 311 HG2 ARG 9 HG2 ARG 9 0.797 2.021 3.936 312 HG3 ARG 9 HG3 ARG 9 0.221 3.517 4.675 313 HD2 ARG 9 HD2 ARG 9 0.707 0.917 6.121 314 HD3 ARG 9 HD3 ARG 9 1.746 2.323 6.173 315 HE ARG 9 HE ARG 9 -0.856 2.020 7.380 316 HH11 ARG 9 HH11 ARG 9 1.971 4.044 6.844 317 HH12 ARG 9 HH12 ARG 9 1.758 4.896 8.334 318 HH21 ARG 9 HH21 ARG 9 -1.032 3.008 9.226 319 HH22 ARG 9 HH22 ARG 9 -0.007 4.311 9.728 320 H CYS 10 H CYS 10 -0.569 3.552 1.305 321 HA CYS 10 HA CYS 10 -0.007 0.952 0.040 322 HB2 CYS 10 HB2 CYS 10 -1.659 2.094 -1.310 323 HB3 CYS 10 HB3 CYS 10 -0.697 3.564 -1.320 324 H PHE 11 H PHE 11 2.008 0.442 -0.119 325 HA PHE 11 HA PHE 11 4.003 2.582 -0.368 326 HB2 PHE 11 HB2 PHE 11 5.644 1.185 0.766 327 HB3 PHE 11 HB3 PHE 11 4.210 1.330 1.787 328 HD1 PHE 11 HD2 PHE 11 5.972 -0.902 -0.603 329 HD2 PHE 11 HD1 PHE 11 3.055 -0.599 2.507 330 HE1 PHE 11 HE2 PHE 11 5.863 -3.365 -0.465 331 HE2 PHE 11 HE1 PHE 11 2.942 -3.062 2.645 332 HZ PHE 11 HZ PHE 11 4.347 -4.446 1.158 333 H TYR 12 H TYR 12 5.496 2.360 -2.007 334 HA TYR 12 HA TYR 12 4.917 0.346 -4.022 335 HB2 TYR 12 HB2 TYR 12 6.417 2.920 -3.962 336 HB3 TYR 12 HB3 TYR 12 6.973 1.704 -5.111 337 HD1 TYR 12 HD1 TYR 12 4.114 3.849 -4.154 338 HD2 TYR 12 HD2 TYR 12 5.595 1.070 -7.012 339 HE1 TYR 12 HE1 TYR 12 2.312 4.451 -5.638 340 HE2 TYR 12 HE2 TYR 12 3.871 1.680 -8.549 341 HH TYR 12 HH TYR 12 1.241 3.933 -7.563 342 H PHE 13 H PHE 13 6.360 -1.329 -4.543 343 HA PHE 13 HA PHE 13 8.758 -1.463 -2.798 344 HB2 PHE 13 HB2 PHE 13 6.922 -3.243 -2.437 345 HB3 PHE 13 HB3 PHE 13 7.445 -3.902 -3.993 346 HD1 PHE 13 HD2 PHE 13 8.712 -2.880 -0.681 347 HD2 PHE 13 HD1 PHE 13 9.320 -5.360 -4.083 348 HE1 PHE 13 HE2 PHE 13 10.510 -4.039 0.501 349 HE2 PHE 13 HE1 PHE 13 11.115 -6.553 -2.938 350 HZ PHE 13 HZ PHE 13 11.728 -5.899 -0.616 351 H ASN 14 H ASN 14 10.545 -1.247 -3.792 352 HA ASN 14 HA ASN 14 10.583 -1.574 -6.651 353 HB2 ASN 14 HB2 ASN 14 11.606 0.435 -5.400 354 HB3 ASN 14 HB3 ASN 14 12.889 -0.621 -4.973 355 HD21 ASN 14 HD21 ASN 14 11.320 -0.856 -8.049 356 HD22 ASN 14 HD22 ASN 14 12.637 -0.270 -8.988 357 H ARG 15 H ARG 15 10.328 -3.940 -6.305 358 HA ARG 15 HA ARG 15 11.952 -5.549 -4.872 359 HB2 ARG 15 HB2 ARG 15 10.554 -7.005 -5.720 360 HB3 ARG 15 HB3 ARG 15 10.197 -5.983 -7.109 361 HG2 ARG 15 HG2 ARG 15 12.120 -6.873 -8.294 362 HG3 ARG 15 HG3 ARG 15 12.542 -7.861 -6.892 363 HD2 ARG 15 HD2 ARG 15 11.387 -9.251 -8.481 364 HD3 ARG 15 HD3 ARG 15 10.331 -8.989 -7.094 365 HE ARG 15 HE ARG 15 8.864 -7.882 -8.455 366 HH11 ARG 15 HH11 ARG 15 11.922 -8.179 -10.138 367 HH12 ARG 15 HH12 ARG 15 11.292 -7.591 -11.638 368 HH21 ARG 15 HH21 ARG 15 8.042 -7.110 -10.437 369 HH22 ARG 15 HH22 ARG 15 9.091 -6.984 -11.809 370 H ILE 16 H ILE 16 13.109 -3.641 -7.556 371 HA ILE 16 HA ILE 16 15.296 -5.189 -8.271 372 HB ILE 16 HB ILE 16 14.861 -2.258 -8.235 373 HG12 ILE 16 HG12 ILE 16 13.403 -2.955 -9.802 374 HG13 ILE 16 HG13 ILE 16 14.831 -2.934 -10.763 375 HG21 ILE 16 HG21 ILE 16 16.811 -2.310 -9.779 376 HG22 ILE 16 HG22 ILE 16 17.014 -4.004 -9.303 377 HG23 ILE 16 HG23 ILE 16 17.147 -2.725 -8.083 378 HD11 ILE 16 HD11 ILE 16 14.974 -5.246 -10.849 379 HD12 ILE 16 HD12 ILE 16 13.243 -4.902 -11.016 380 HD13 ILE 16 HD13 ILE 16 13.904 -5.436 -9.459 381 H THR 17 H THR 17 14.689 -2.582 -6.106 382 HA THR 17 HA THR 17 17.130 -2.920 -4.669 383 HB THR 17 HB THR 17 16.886 -0.724 -3.943 384 HG1 THR 17 HG1 THR 17 14.633 -0.890 -3.407 385 HG21 THR 17 HG21 THR 17 16.730 0.464 -5.985 386 HG22 THR 17 HG22 THR 17 15.740 -0.826 -6.715 387 HG23 THR 17 HG23 THR 17 17.434 -1.126 -6.302 388 H GLY 18 H GLY 18 14.398 -4.327 -4.682 389 HA2 GLY 18 HA2 GLY 18 12.731 -4.928 -3.222 390 HA3 GLY 18 HA3 GLY 18 14.085 -5.606 -2.378 391 H LYS 19 H LYS 19 13.485 -2.205 -2.895 392 HA LYS 19 HA LYS 19 13.173 -1.844 -0.021 393 HB2 LYS 19 HB2 LYS 19 14.414 0.010 -0.107 394 HB3 LYS 19 HB3 LYS 19 15.080 -0.793 -1.551 395 HG2 LYS 19 HG2 LYS 19 14.059 0.633 -2.959 396 HG3 LYS 19 HG3 LYS 19 12.701 0.913 -1.860 397 HD2 LYS 19 HD2 LYS 19 15.448 1.924 -1.208 398 HD3 LYS 19 HD3 LYS 19 14.378 2.842 -2.270 399 HE2 LYS 19 HE2 LYS 19 12.649 2.752 -0.465 400 HE3 LYS 19 HE3 LYS 19 13.865 2.031 0.587 401 HZ1 LYS 19 HZ1 LYS 19 13.963 4.727 -0.653 402 HZ2 LYS 19 HZ2 LYS 19 15.237 4.035 0.218 403 HZ3 LYS 19 HZ3 LYS 19 13.771 4.371 0.990 404 H ARG 20 H ARG 20 11.814 -0.022 0.669 405 HA ARG 20 HA ARG 20 9.469 0.132 -1.077 406 HB2 ARG 20 HB2 ARG 20 8.000 -0.197 0.735 407 HB3 ARG 20 HB3 ARG 20 9.342 -1.351 0.966 408 HG2 ARG 20 HG2 ARG 20 10.251 -0.109 2.726 409 HG3 ARG 20 HG3 ARG 20 9.308 1.327 2.321 410 HD2 ARG 20 HD2 ARG 20 8.292 0.368 4.236 411 HD3 ARG 20 HD3 ARG 20 7.246 -0.002 2.868 412 HE ARG 20 HE ARG 20 7.883 -2.251 3.002 413 HH11 ARG 20 HH11 ARG 20 9.481 -0.328 5.461 414 HH12 ARG 20 HH12 ARG 20 9.945 -1.702 6.403 415 HH21 ARG 20 HH21 ARG 20 8.505 -4.052 4.248 416 HH22 ARG 20 HH22 ARG 20 9.394 -3.815 5.715 417 H GLN 21 H GLN 21 8.140 1.809 -1.124 418 HA GLN 21 HA GLN 21 8.957 4.354 0.117 419 HB2 GLN 21 HB2 GLN 21 7.792 4.060 -2.600 420 HB3 GLN 21 HB3 GLN 21 8.562 5.492 -1.926 421 HG2 GLN 21 HG2 GLN 21 10.447 3.405 -2.023 422 HG3 GLN 21 HG3 GLN 21 9.553 3.428 -3.493 423 HE21 GLN 21 HE21 GLN 21 9.253 5.638 -4.464 424 HE22 GLN 21 HE22 GLN 21 10.654 6.623 -4.473 425 H PHE 22 H PHE 22 7.012 5.931 -0.077 426 HA PHE 22 HA PHE 22 4.451 4.458 0.058 427 HB2 PHE 22 HB2 PHE 22 5.578 6.654 1.697 428 HB3 PHE 22 HB3 PHE 22 3.886 6.832 1.251 429 HD1 PHE 22 HD1 PHE 22 5.823 3.761 2.045 430 HD2 PHE 22 HD2 PHE 22 2.682 6.386 3.213 431 HE1 PHE 22 HE1 PHE 22 5.187 2.199 3.826 432 HE2 PHE 22 HE2 PHE 22 2.043 4.834 5.000 433 HZ PHE 22 HZ PHE 22 3.302 2.750 5.295 434 H GLU 23 H GLU 23 5.886 5.365 -2.190 435 HA GLU 23 HA GLU 23 4.087 7.209 -3.564 436 HB2 GLU 23 HB2 GLU 23 5.683 8.784 -3.501 437 HB3 GLU 23 HB3 GLU 23 6.769 7.676 -2.652 438 HG2 GLU 23 HG2 GLU 23 7.408 6.704 -4.869 439 HG3 GLU 23 HG3 GLU 23 6.454 7.978 -5.627 440 H ARG 24 H ARG 24 4.353 7.253 -5.792 441 HA ARG 24 HA ARG 24 5.403 4.778 -6.956 442 HB2 ARG 24 HB2 ARG 24 3.134 5.248 -7.614 443 HB3 ARG 24 HB3 ARG 24 3.549 6.902 -8.032 444 HG2 ARG 24 HG2 ARG 24 4.834 6.195 -9.865 445 HG3 ARG 24 HG3 ARG 24 4.683 4.493 -9.404 446 HD2 ARG 24 HD2 ARG 24 2.132 4.958 -9.575 447 HD3 ARG 24 HD3 ARG 24 2.618 6.338 -10.545 448 HE ARG 24 HE ARG 24 3.284 4.926 -12.235 449 HH11 ARG 24 HH11 ARG 24 2.219 3.034 -9.501 450 HH12 ARG 24 HH12 ARG 24 2.157 1.555 -10.392 451 HH21 ARG 24 HH21 ARG 24 3.169 2.958 -13.408 452 HH22 ARG 24 HH22 ARG 24 2.691 1.512 -12.592 453 HA PRO 25 HA PRO 25 9.134 7.227 -6.932 454 HB2 PRO 25 HB2 PRO 25 9.925 5.118 -8.701 455 HB3 PRO 25 HB3 PRO 25 10.671 5.714 -7.250 456 HG2 PRO 25 HG2 PRO 25 9.220 3.419 -7.313 457 HG3 PRO 25 HG3 PRO 25 9.424 4.378 -5.913 458 HD2 PRO 25 HD2 PRO 25 7.018 3.972 -7.428 459 HD3 PRO 25 HD3 PRO 25 7.276 4.682 -5.836 460 H SER 26 H SER 26 10.070 8.595 -8.045 461 HA SER 26 HA SER 26 8.992 9.928 -10.107 462 HB2 SER 26 HB2 SER 26 10.642 10.894 -8.702 463 HB3 SER 26 HB3 SER 26 11.838 9.747 -9.323 464 HG SER 26 HG SER 26 12.143 11.016 -10.978 465 H ASP 27 H ASP 27 11.284 7.501 -10.144 466 HA ASP 27 HA ASP 27 11.922 6.025 -11.733 467 HB2 ASP 27 HB2 ASP 27 10.118 5.483 -12.788 468 HB3 ASP 27 HB3 ASP 27 9.445 7.088 -12.519 Start of MODEL 21 1 H1 LYS 1 H1 LYS 1 6.589 6.543 -16.477 2 H2 LYS 1 H2 LYS 1 5.293 6.027 -17.474 3 H3 LYS 1 H3 LYS 1 6.804 5.215 -17.539 4 HA LYS 1 HA LYS 1 4.847 5.252 -15.339 5 HB2 LYS 1 HB2 LYS 1 6.045 3.070 -17.071 6 HB3 LYS 1 HB3 LYS 1 4.972 2.781 -15.713 7 HG2 LYS 1 HG2 LYS 1 3.112 3.542 -16.846 8 HG3 LYS 1 HG3 LYS 1 4.062 4.527 -17.968 9 HD2 LYS 1 HD2 LYS 1 4.995 2.052 -18.535 10 HD3 LYS 1 HD3 LYS 1 3.331 1.684 -18.088 11 HE2 LYS 1 HE2 LYS 1 3.262 2.054 -20.386 12 HE3 LYS 1 HE3 LYS 1 2.659 3.546 -19.673 13 HZ1 LYS 1 HZ1 LYS 1 5.350 3.055 -20.820 14 HZ2 LYS 1 HZ2 LYS 1 4.970 4.432 -19.914 15 HZ3 LYS 1 HZ3 LYS 1 4.174 4.136 -21.376 16 H LEU 2 H LEU 2 5.520 3.400 -13.770 17 HA LEU 2 HA LEU 2 7.569 4.245 -12.147 18 HB2 LEU 2 HB2 LEU 2 6.294 1.594 -12.551 19 HB3 LEU 2 HB3 LEU 2 7.556 1.853 -11.380 20 HG LEU 2 HG LEU 2 4.919 3.278 -11.387 21 HD11 LEU 2 HD11 LEU 2 5.187 1.708 -9.137 22 HD12 LEU 2 HD12 LEU 2 5.867 0.726 -10.438 23 HD13 LEU 2 HD13 LEU 2 4.220 1.343 -10.578 24 HD21 LEU 2 HD21 LEU 2 5.850 4.670 -9.924 25 HD22 LEU 2 HD22 LEU 2 7.400 3.829 -10.081 26 HD23 LEU 2 HD23 LEU 2 6.219 3.280 -8.889 27 HA PRO 3 HA PRO 3 11.468 2.719 -13.633 28 HB2 PRO 3 HB2 PRO 3 12.177 2.420 -10.863 29 HB3 PRO 3 HB3 PRO 3 12.838 3.513 -12.072 30 HG2 PRO 3 HG2 PRO 3 11.325 4.439 -10.076 31 HG3 PRO 3 HG3 PRO 3 11.217 5.123 -11.691 32 HD2 PRO 3 HD2 PRO 3 9.388 3.146 -10.379 33 HD3 PRO 3 HD3 PRO 3 9.023 4.614 -11.282 34 HA PRO 4 HA PRO 4 11.544 -1.621 -13.534 35 HB2 PRO 4 HB2 PRO 4 14.280 -1.158 -12.652 36 HB3 PRO 4 HB3 PRO 4 13.656 -2.290 -13.815 37 HG2 PRO 4 HG2 PRO 4 14.647 -0.197 -14.812 38 HG3 PRO 4 HG3 PRO 4 12.990 -0.551 -15.264 39 HD2 PRO 4 HD2 PRO 4 13.917 1.278 -13.192 40 HD3 PRO 4 HD3 PRO 4 12.818 1.566 -14.511 41 H GLY 5 H GLY 5 11.145 -3.212 -12.324 42 HA2 GLY 5 HA2 GLY 5 10.827 -4.490 -10.463 43 HA3 GLY 5 HA3 GLY 5 12.057 -3.514 -9.705 44 H TRP 6 H TRP 6 10.104 -1.086 -10.433 45 HA TRP 6 HA TRP 6 8.884 -1.093 -7.848 46 HB2 TRP 6 HB2 TRP 6 9.166 0.834 -10.036 47 HB3 TRP 6 HB3 TRP 6 7.861 1.120 -8.934 48 HD1 TRP 6 HD1 TRP 6 10.938 2.327 -9.613 49 HE1 TRP 6 HE1 TRP 6 12.243 3.224 -7.644 50 HE3 TRP 6 HE3 TRP 6 8.224 0.258 -6.012 51 HZ2 TRP 6 HZ2 TRP 6 12.020 3.120 -4.821 52 HZ3 TRP 6 HZ3 TRP 6 8.789 0.683 -3.707 53 HH2 TRP 6 HH2 TRP 6 10.582 2.060 -3.114 54 H GLU 7 H GLU 7 6.756 -1.056 -7.349 55 HA GLU 7 HA GLU 7 4.741 -1.103 -9.400 56 HB2 GLU 7 HB2 GLU 7 4.556 -3.357 -7.427 57 HB3 GLU 7 HB3 GLU 7 3.838 -3.222 -9.023 58 HG2 GLU 7 HG2 GLU 7 5.659 -4.071 -10.068 59 HG3 GLU 7 HG3 GLU 7 6.789 -3.386 -8.903 60 H LYS 8 H LYS 8 3.120 0.124 -8.716 61 HA LYS 8 HA LYS 8 3.135 1.120 -6.032 62 HB2 LYS 8 HB2 LYS 8 2.384 2.435 -8.175 63 HB3 LYS 8 HB3 LYS 8 0.896 1.478 -8.103 64 HG2 LYS 8 HG2 LYS 8 0.930 2.392 -5.575 65 HG3 LYS 8 HG3 LYS 8 1.776 3.709 -6.382 66 HD2 LYS 8 HD2 LYS 8 -0.094 3.839 -8.014 67 HD3 LYS 8 HD3 LYS 8 -0.949 2.618 -7.068 68 HE2 LYS 8 HE2 LYS 8 -0.618 4.219 -5.086 69 HE3 LYS 8 HE3 LYS 8 -0.238 5.432 -6.307 70 HZ1 LYS 8 HZ1 LYS 8 -2.766 3.880 -6.148 71 HZ2 LYS 8 HZ2 LYS 8 -2.402 5.056 -7.308 72 HZ3 LYS 8 HZ3 LYS 8 -2.571 5.496 -5.684 73 H ARG 9 H ARG 9 2.008 0.368 -4.324 74 HA ARG 9 HA ARG 9 -0.162 -1.578 -4.788 75 HB2 ARG 9 HB2 ARG 9 2.257 -2.267 -3.782 76 HB3 ARG 9 HB3 ARG 9 1.416 -1.842 -2.297 77 HG2 ARG 9 HG2 ARG 9 -0.010 -3.604 -2.432 78 HG3 ARG 9 HG3 ARG 9 0.011 -3.630 -4.196 79 HD2 ARG 9 HD2 ARG 9 2.188 -4.618 -2.360 80 HD3 ARG 9 HD3 ARG 9 1.141 -5.596 -3.365 81 HE ARG 9 HE ARG 9 3.472 -4.197 -4.121 82 HH11 ARG 9 HH11 ARG 9 0.405 -5.406 -5.337 83 HH12 ARG 9 HH12 ARG 9 1.078 -5.840 -6.871 84 HH21 ARG 9 HH21 ARG 9 4.287 -4.820 -5.956 85 HH22 ARG 9 HH22 ARG 9 3.346 -5.486 -7.251 86 H CYS 10 H CYS 10 -1.897 -1.562 -3.300 87 HA CYS 10 HA CYS 10 -1.883 0.613 -1.321 88 HB2 CYS 10 HB2 CYS 10 -4.200 0.104 -3.192 89 HB3 CYS 10 HB3 CYS 10 -4.110 1.333 -1.940 90 H PHE 11 H PHE 11 -1.949 -0.508 0.524 91 HA PHE 11 HA PHE 11 -3.920 -2.671 0.764 92 HB2 PHE 11 HB2 PHE 11 -2.656 -3.522 2.645 93 HB3 PHE 11 HB3 PHE 11 -1.536 -3.231 1.313 94 HD1 PHE 11 HD1 PHE 11 -2.745 -1.963 4.563 95 HD2 PHE 11 HD2 PHE 11 0.233 -1.659 1.533 96 HE1 PHE 11 HE1 PHE 11 -1.362 -0.582 6.059 97 HE2 PHE 11 HE2 PHE 11 1.614 -0.273 3.026 98 HZ PHE 11 HZ PHE 11 0.816 0.266 5.291 99 H TYR 12 H TYR 12 -5.480 -2.621 2.369 100 HA TYR 12 HA TYR 12 -5.992 -0.031 3.588 101 HB2 TYR 12 HB2 TYR 12 -7.591 -2.528 3.167 102 HB3 TYR 12 HB3 TYR 12 -8.027 -1.506 4.539 103 HD1 TYR 12 HD2 TYR 12 -8.857 0.805 4.157 104 HD2 TYR 12 HD1 TYR 12 -7.898 -1.733 0.877 105 HE1 TYR 12 HE2 TYR 12 -9.964 2.283 2.677 106 HE2 TYR 12 HE1 TYR 12 -9.009 -0.241 -0.637 107 HH TYR 12 HH TYR 12 -10.064 1.757 -0.846 108 H PHE 13 H PHE 13 -5.677 0.372 5.783 109 HA PHE 13 HA PHE 13 -4.717 -1.953 7.367 110 HB2 PHE 13 HB2 PHE 13 -3.074 0.008 6.949 111 HB3 PHE 13 HB3 PHE 13 -4.079 0.901 8.097 112 HD1 PHE 13 HD2 PHE 13 -2.075 -2.152 7.675 113 HD2 PHE 13 HD1 PHE 13 -3.847 0.523 10.460 114 HE1 PHE 13 HE2 PHE 13 -0.846 -3.229 9.485 115 HE2 PHE 13 HE1 PHE 13 -2.614 -0.511 12.283 116 HZ PHE 13 HZ PHE 13 -1.097 -2.413 11.808 117 H ASN 14 H ASN 14 -5.957 -2.573 8.893 118 HA ASN 14 HA ASN 14 -8.089 -0.791 9.697 119 HB2 ASN 14 HB2 ASN 14 -8.399 -3.283 8.926 120 HB3 ASN 14 HB3 ASN 14 -7.964 -3.665 10.553 121 HD21 ASN 14 HD21 ASN 14 -10.315 -4.529 9.986 122 HD22 ASN 14 HD22 ASN 14 -11.582 -3.516 10.581 123 H ARG 15 H ARG 15 -6.433 0.414 10.945 124 HA ARG 15 HA ARG 15 -4.768 -0.513 12.834 125 HB2 ARG 15 HB2 ARG 15 -4.399 1.655 12.785 126 HB3 ARG 15 HB3 ARG 15 -6.072 2.048 12.395 127 HG2 ARG 15 HG2 ARG 15 -6.686 2.253 14.605 128 HG3 ARG 15 HG3 ARG 15 -5.351 1.252 15.178 129 HD2 ARG 15 HD2 ARG 15 -4.921 3.936 13.887 130 HD3 ARG 15 HD3 ARG 15 -5.169 3.751 15.623 131 HE ARG 15 HE ARG 15 -2.799 3.119 14.129 132 HH11 ARG 15 HH11 ARG 15 -4.595 2.414 17.053 133 HH12 ARG 15 HH12 ARG 15 -3.204 1.852 17.916 134 HH21 ARG 15 HH21 ARG 15 -0.973 2.375 15.273 135 HH22 ARG 15 HH22 ARG 15 -1.149 1.830 16.907 136 H ILE 16 H ILE 16 -8.249 -0.833 13.155 137 HA ILE 16 HA ILE 16 -8.390 -1.025 15.928 138 HB ILE 16 HB ILE 16 -9.949 -2.142 13.670 139 HG12 ILE 16 HG12 ILE 16 -10.985 -0.198 13.821 140 HG13 ILE 16 HG13 ILE 16 -11.436 -0.578 15.446 141 HG21 ILE 16 HG21 ILE 16 -9.926 -3.756 15.390 142 HG22 ILE 16 HG22 ILE 16 -11.494 -2.912 15.454 143 HG23 ILE 16 HG23 ILE 16 -10.212 -2.507 16.608 144 HD11 ILE 16 HD11 ILE 16 -10.161 1.640 14.761 145 HD12 ILE 16 HD12 ILE 16 -8.772 0.593 15.067 146 HD13 ILE 16 HD13 ILE 16 -9.961 0.867 16.337 147 H THR 17 H THR 17 -8.099 -3.225 13.297 148 HA THR 17 HA THR 17 -7.263 -5.407 14.917 149 HB THR 17 HB THR 17 -7.801 -6.787 13.121 150 HG1 THR 17 HG1 THR 17 -6.775 -5.520 11.484 151 HG21 THR 17 HG21 THR 17 -9.613 -5.633 14.348 152 HG22 THR 17 HG22 THR 17 -10.058 -6.251 12.751 153 HG23 THR 17 HG23 THR 17 -9.748 -4.512 12.989 154 H GLY 18 H GLY 18 -5.922 -2.841 13.797 155 HA2 GLY 18 HA2 GLY 18 -4.047 -2.226 12.637 156 HA3 GLY 18 HA3 GLY 18 -3.290 -3.135 13.904 157 H LYS 19 H LYS 19 -5.386 -4.413 11.430 158 HA LYS 19 HA LYS 19 -3.160 -5.960 10.376 159 HB2 LYS 19 HB2 LYS 19 -4.477 -7.748 10.189 160 HB3 LYS 19 HB3 LYS 19 -5.395 -6.920 11.472 161 HG2 LYS 19 HG2 LYS 19 -7.082 -6.386 10.083 162 HG3 LYS 19 HG3 LYS 19 -6.022 -6.271 8.671 163 HD2 LYS 19 HD2 LYS 19 -6.663 -8.901 9.980 164 HD3 LYS 19 HD3 LYS 19 -7.690 -8.212 8.721 165 HE2 LYS 19 HE2 LYS 19 -4.870 -8.198 8.002 166 HE3 LYS 19 HE3 LYS 19 -5.476 -9.820 8.333 167 HZ1 LYS 19 HZ1 LYS 19 -6.992 -9.696 6.617 168 HZ2 LYS 19 HZ2 LYS 19 -5.671 -8.866 5.965 169 HZ3 LYS 19 HZ3 LYS 19 -6.992 -8.004 6.575 170 H ARG 20 H ARG 20 -3.234 -6.501 8.100 171 HA ARG 20 HA ARG 20 -4.260 -4.224 6.586 172 HB2 ARG 20 HB2 ARG 20 -2.298 -4.169 5.252 173 HB3 ARG 20 HB3 ARG 20 -1.787 -4.332 6.951 174 HG2 ARG 20 HG2 ARG 20 -2.110 -6.901 5.635 175 HG3 ARG 20 HG3 ARG 20 -0.925 -5.867 4.837 176 HD2 ARG 20 HD2 ARG 20 0.456 -6.780 6.380 177 HD3 ARG 20 HD3 ARG 20 -0.190 -5.478 7.376 178 HE ARG 20 HE ARG 20 -1.328 -8.198 7.425 179 HH11 ARG 20 HH11 ARG 20 -0.041 -5.406 9.126 180 HH12 ARG 20 HH12 ARG 20 -0.433 -6.035 10.688 181 HH21 ARG 20 HH21 ARG 20 -1.838 -9.002 9.489 182 HH22 ARG 20 HH22 ARG 20 -1.449 -8.070 10.896 183 H GLN 21 H GLN 21 -4.976 -4.384 4.583 184 HA GLN 21 HA GLN 21 -5.468 -7.064 3.472 185 HB2 GLN 21 HB2 GLN 21 -7.286 -4.745 3.189 186 HB3 GLN 21 HB3 GLN 21 -7.658 -6.440 2.897 187 HG2 GLN 21 HG2 GLN 21 -6.991 -6.126 5.612 188 HG3 GLN 21 HG3 GLN 21 -8.013 -4.822 5.145 189 HE21 GLN 21 HE21 GLN 21 -9.992 -5.448 3.915 190 HE22 GLN 21 HE22 GLN 21 -10.793 -6.859 4.467 191 H PHE 22 H PHE 22 -5.903 -6.898 1.088 192 HA PHE 22 HA PHE 22 -4.504 -4.593 -0.133 193 HB2 PHE 22 HB2 PHE 22 -4.649 -7.494 -0.814 194 HB3 PHE 22 HB3 PHE 22 -4.616 -6.362 -2.159 195 HD1 PHE 22 HD2 PHE 22 -2.894 -5.667 0.999 196 HD2 PHE 22 HD1 PHE 22 -2.465 -7.114 -2.967 197 HE1 PHE 22 HE2 PHE 22 -0.465 -5.490 1.203 198 HE2 PHE 22 HE1 PHE 22 -0.036 -6.947 -2.770 199 HZ PHE 22 HZ PHE 22 0.948 -6.135 -0.685 200 H GLU 23 H GLU 23 -7.160 -4.758 0.861 201 HA GLU 23 HA GLU 23 -8.832 -4.125 -1.436 202 HB2 GLU 23 HB2 GLU 23 -9.922 -6.059 -1.149 203 HB3 GLU 23 HB3 GLU 23 -8.933 -6.442 0.267 204 HG2 GLU 23 HG2 GLU 23 -10.450 -5.078 1.670 205 HG3 GLU 23 HG3 GLU 23 -11.446 -4.793 0.243 206 H ARG 24 H ARG 24 -10.660 -3.037 -1.007 207 HA ARG 24 HA ARG 24 -10.669 -1.416 1.414 208 HB2 ARG 24 HB2 ARG 24 -11.088 -0.270 -0.666 209 HB3 ARG 24 HB3 ARG 24 -12.394 -1.379 -1.071 210 HG2 ARG 24 HG2 ARG 24 -13.391 -0.621 1.149 211 HG3 ARG 24 HG3 ARG 24 -12.273 0.740 0.987 212 HD2 ARG 24 HD2 ARG 24 -13.491 0.441 -1.507 213 HD3 ARG 24 HD3 ARG 24 -14.789 0.260 -0.332 214 HE ARG 24 HE ARG 24 -14.504 2.447 0.341 215 HH11 ARG 24 HH11 ARG 24 -12.122 1.601 -2.086 216 HH12 ARG 24 HH12 ARG 24 -11.663 3.243 -2.381 217 HH21 ARG 24 HH21 ARG 24 -13.891 4.607 -0.055 218 HH22 ARG 24 HH22 ARG 24 -12.665 4.949 -1.230 219 HA PRO 25 HA PRO 25 -12.589 -4.954 3.241 220 HB2 PRO 25 HB2 PRO 25 -13.189 -2.990 5.242 221 HB3 PRO 25 HB3 PRO 25 -12.422 -4.541 5.391 222 HG2 PRO 25 HG2 PRO 25 -11.024 -2.275 5.513 223 HG3 PRO 25 HG3 PRO 25 -10.375 -3.709 4.807 224 HD2 PRO 25 HD2 PRO 25 -11.250 -1.257 3.432 225 HD3 PRO 25 HD3 PRO 25 -10.070 -2.503 2.973 226 H SER 26 H SER 26 -14.422 -5.779 3.580 227 HA SER 26 HA SER 26 -16.606 -5.216 2.162 228 HB2 SER 26 HB2 SER 26 -16.444 -6.535 4.786 229 HB3 SER 26 HB3 SER 26 -17.798 -6.689 3.661 230 HG SER 26 HG SER 26 -16.654 -8.001 2.432 231 H ASP 27 H ASP 27 -15.817 -4.189 5.230 232 HA ASP 27 HA ASP 27 -16.508 -2.449 6.481 233 HB2 ASP 27 HB2 ASP 27 -16.646 -0.849 5.030 234 HB3 ASP 27 HB3 ASP 27 -17.257 -1.945 3.797 235 H1 LYS 1 H1 LYS 1 -18.441 6.283 3.044 236 H2 LYS 1 H2 LYS 1 -18.611 5.347 4.473 237 H3 LYS 1 H3 LYS 1 -18.395 4.572 2.957 238 HA LYS 1 HA LYS 1 -16.220 5.463 2.756 239 HB2 LYS 1 HB2 LYS 1 -15.252 6.860 4.428 240 HB3 LYS 1 HB3 LYS 1 -16.820 7.551 4.038 241 HG2 LYS 1 HG2 LYS 1 -17.311 7.543 6.194 242 HG3 LYS 1 HG3 LYS 1 -17.261 5.779 6.172 243 HD2 LYS 1 HD2 LYS 1 -14.858 5.846 6.646 244 HD3 LYS 1 HD3 LYS 1 -14.912 7.608 6.672 245 HE2 LYS 1 HE2 LYS 1 -16.911 6.537 8.418 246 HE3 LYS 1 HE3 LYS 1 -15.345 5.820 8.784 247 HZ1 LYS 1 HZ1 LYS 1 -15.771 8.743 8.529 248 HZ2 LYS 1 HZ2 LYS 1 -14.407 7.950 9.139 249 HZ3 LYS 1 HZ3 LYS 1 -15.859 7.919 10.004 250 H LEU 2 H LEU 2 -14.283 4.718 4.151 251 HA LEU 2 HA LEU 2 -14.385 2.028 4.643 252 HB2 LEU 2 HB2 LEU 2 -12.649 4.186 5.711 253 HB3 LEU 2 HB3 LEU 2 -12.446 2.518 6.161 254 HG LEU 2 HG LEU 2 -12.266 3.547 3.353 255 HD11 LEU 2 HD11 LEU 2 -10.486 3.556 5.576 256 HD12 LEU 2 HD12 LEU 2 -10.250 4.198 3.951 257 HD13 LEU 2 HD13 LEU 2 -9.844 2.505 4.308 258 HD21 LEU 2 HD21 LEU 2 -12.294 1.417 2.723 259 HD22 LEU 2 HD22 LEU 2 -12.625 0.933 4.387 260 HD23 LEU 2 HD23 LEU 2 -10.955 1.074 3.830 261 HA PRO 3 HA PRO 3 -16.090 1.202 8.658 262 HB2 PRO 3 HB2 PRO 3 -14.157 -0.925 8.827 263 HB3 PRO 3 HB3 PRO 3 -15.911 -1.019 8.740 264 HG2 PRO 3 HG2 PRO 3 -14.402 -1.765 6.666 265 HG3 PRO 3 HG3 PRO 3 -15.936 -0.944 6.444 266 HD2 PRO 3 HD2 PRO 3 -13.169 0.200 6.267 267 HD3 PRO 3 HD3 PRO 3 -14.561 0.392 5.202 268 HA PRO 4 HA PRO 4 -13.603 2.950 11.761 269 HB2 PRO 4 HB2 PRO 4 -14.290 0.476 13.136 270 HB3 PRO 4 HB3 PRO 4 -14.258 2.112 13.725 271 HG2 PRO 4 HG2 PRO 4 -16.548 1.268 13.100 272 HG3 PRO 4 HG3 PRO 4 -16.031 2.740 12.299 273 HD2 PRO 4 HD2 PRO 4 -15.908 0.016 11.266 274 HD3 PRO 4 HD3 PRO 4 -16.609 1.440 10.549 275 H GLY 5 H GLY 5 -11.664 3.053 12.415 276 HA2 GLY 5 HA2 GLY 5 -9.466 2.545 12.741 277 HA3 GLY 5 HA3 GLY 5 -9.962 0.874 12.754 278 H TRP 6 H TRP 6 -11.084 1.677 9.808 279 HA TRP 6 HA TRP 6 -8.731 0.651 8.525 280 HB2 TRP 6 HB2 TRP 6 -11.508 1.139 7.729 281 HB3 TRP 6 HB3 TRP 6 -10.348 1.058 6.447 282 HD1 TRP 6 HD1 TRP 6 -12.768 -0.841 7.807 283 HE1 TRP 6 HE1 TRP 6 -12.390 -3.340 7.795 284 HE3 TRP 6 HE3 TRP 6 -7.893 -0.773 6.820 285 HZ2 TRP 6 HZ2 TRP 6 -10.197 -5.077 7.350 286 HZ3 TRP 6 HZ3 TRP 6 -6.699 -2.867 6.594 287 HH2 TRP 6 HH2 TRP 6 -7.784 -4.936 6.813 288 H GLU 7 H GLU 7 -7.620 1.579 6.881 289 HA GLU 7 HA GLU 7 -8.249 4.206 5.921 290 HB2 GLU 7 HB2 GLU 7 -5.849 3.742 7.701 291 HB3 GLU 7 HB3 GLU 7 -5.816 4.980 6.455 292 HG2 GLU 7 HG2 GLU 7 -7.805 4.834 8.712 293 HG3 GLU 7 HG3 GLU 7 -6.388 5.878 8.656 294 H LYS 8 H LYS 8 -7.794 4.223 3.832 295 HA LYS 8 HA LYS 8 -6.410 1.985 2.692 296 HB2 LYS 8 HB2 LYS 8 -8.436 3.275 1.624 297 HB3 LYS 8 HB3 LYS 8 -7.257 4.530 1.213 298 HG2 LYS 8 HG2 LYS 8 -5.928 2.721 0.024 299 HG3 LYS 8 HG3 LYS 8 -7.353 1.702 0.200 300 HD2 LYS 8 HD2 LYS 8 -8.688 3.285 -1.049 301 HD3 LYS 8 HD3 LYS 8 -7.332 4.410 -1.128 302 HE2 LYS 8 HE2 LYS 8 -7.443 3.297 -3.226 303 HE3 LYS 8 HE3 LYS 8 -6.055 2.641 -2.361 304 HZ1 LYS 8 HZ1 LYS 8 -7.423 0.936 -3.471 305 HZ2 LYS 8 HZ2 LYS 8 -8.724 1.341 -2.469 306 HZ3 LYS 8 HZ3 LYS 8 -7.309 0.697 -1.800 307 H ARG 9 H ARG 9 -4.273 1.879 2.508 308 HA ARG 9 HA ARG 9 -2.711 4.364 2.184 309 HB2 ARG 9 HB2 ARG 9 -1.631 1.877 3.494 310 HB3 ARG 9 HB3 ARG 9 -0.979 3.507 3.546 311 HG2 ARG 9 HG2 ARG 9 -3.595 2.717 4.806 312 HG3 ARG 9 HG3 ARG 9 -2.053 2.723 5.660 313 HD2 ARG 9 HD2 ARG 9 -3.478 5.084 4.452 314 HD3 ARG 9 HD3 ARG 9 -3.150 4.788 6.144 315 HE ARG 9 HE ARG 9 -0.867 5.192 5.701 316 HH11 ARG 9 HH11 ARG 9 -3.020 6.061 3.052 317 HH12 ARG 9 HH12 ARG 9 -2.006 7.364 2.536 318 HH21 ARG 9 HH21 ARG 9 0.298 6.846 5.096 319 HH22 ARG 9 HH22 ARG 9 -0.060 7.819 3.709 320 H CYS 10 H CYS 10 -0.746 4.203 0.917 321 HA CYS 10 HA CYS 10 -0.558 1.794 -0.753 322 HB2 CYS 10 HB2 CYS 10 -0.440 4.548 -1.984 323 HB3 CYS 10 HB3 CYS 10 -0.491 2.997 -2.808 324 H PHE 11 H PHE 11 1.414 1.118 -1.183 325 HA PHE 11 HA PHE 11 3.670 2.951 -0.781 326 HB2 PHE 11 HB2 PHE 11 4.959 1.278 0.385 327 HB3 PHE 11 HB3 PHE 11 3.396 1.400 1.196 328 HD1 PHE 11 HD1 PHE 11 5.520 -0.651 -0.990 329 HD2 PHE 11 HD2 PHE 11 1.854 -0.449 1.191 330 HE1 PHE 11 HE1 PHE 11 5.229 -3.092 -1.252 331 HE2 PHE 11 HE2 PHE 11 1.556 -2.885 0.926 332 HZ PHE 11 HZ PHE 11 3.245 -4.208 -0.297 333 H TYR 12 H TYR 12 5.352 2.706 -2.233 334 HA TYR 12 HA TYR 12 4.823 1.045 -4.562 335 HB2 TYR 12 HB2 TYR 12 6.667 3.327 -3.950 336 HB3 TYR 12 HB3 TYR 12 7.155 2.196 -5.211 337 HD1 TYR 12 HD2 TYR 12 5.787 1.956 -7.284 338 HD2 TYR 12 HD1 TYR 12 4.742 4.795 -4.267 339 HE1 TYR 12 HE2 TYR 12 4.301 3.031 -8.794 340 HE2 TYR 12 HE1 TYR 12 3.233 5.892 -5.781 341 HH TYR 12 HH TYR 12 1.888 5.010 -8.022 342 H PHE 13 H PHE 13 6.101 -0.752 -5.095 343 HA PHE 13 HA PHE 13 8.214 -1.444 -3.112 344 HB2 PHE 13 HB2 PHE 13 6.049 -2.863 -3.072 345 HB3 PHE 13 HB3 PHE 13 6.621 -3.525 -4.604 346 HD1 PHE 13 HD2 PHE 13 7.408 -3.122 -1.049 347 HD2 PHE 13 HD1 PHE 13 8.444 -5.116 -4.665 348 HE1 PHE 13 HE2 PHE 13 8.793 -4.689 0.218 349 HE2 PHE 13 HE1 PHE 13 9.796 -6.723 -3.428 350 HZ PHE 13 HZ PHE 13 9.996 -6.515 -0.958 351 H ASN 14 H ASN 14 10.110 -1.458 -3.999 352 HA ASN 14 HA ASN 14 10.276 -1.831 -6.848 353 HB2 ASN 14 HB2 ASN 14 12.801 -1.323 -6.333 354 HB3 ASN 14 HB3 ASN 14 11.642 -0.035 -6.435 355 HD21 ASN 14 HD21 ASN 14 13.468 1.033 -5.285 356 HD22 ASN 14 HD22 ASN 14 13.448 0.953 -3.563 357 H ARG 15 H ARG 15 9.832 -4.115 -6.713 358 HA ARG 15 HA ARG 15 11.028 -5.925 -5.090 359 HB2 ARG 15 HB2 ARG 15 9.438 -6.978 -6.226 360 HB3 ARG 15 HB3 ARG 15 9.744 -6.103 -7.726 361 HG2 ARG 15 HG2 ARG 15 11.343 -7.595 -8.430 362 HG3 ARG 15 HG3 ARG 15 11.685 -8.164 -6.795 363 HD2 ARG 15 HD2 ARG 15 9.080 -8.662 -8.230 364 HD3 ARG 15 HD3 ARG 15 10.431 -9.796 -8.238 365 HE ARG 15 HE ARG 15 8.578 -9.319 -6.100 366 HH11 ARG 15 HH11 ARG 15 11.815 -10.426 -6.857 367 HH12 ARG 15 HH12 ARG 15 11.963 -11.363 -5.409 368 HH21 ARG 15 HH21 ARG 15 8.783 -10.554 -4.196 369 HH22 ARG 15 HH22 ARG 15 10.243 -11.437 -3.899 370 H ILE 16 H ILE 16 12.777 -4.053 -7.439 371 HA ILE 16 HA ILE 16 14.858 -5.820 -7.974 372 HB ILE 16 HB ILE 16 14.590 -2.871 -7.906 373 HG12 ILE 16 HG12 ILE 16 13.851 -3.199 -9.961 374 HG13 ILE 16 HG13 ILE 16 15.377 -3.894 -10.379 375 HG21 ILE 16 HG21 ILE 16 16.768 -3.434 -7.178 376 HG22 ILE 16 HG22 ILE 16 16.870 -2.900 -8.875 377 HG23 ILE 16 HG23 ILE 16 16.923 -4.625 -8.475 378 HD11 ILE 16 HD11 ILE 16 13.416 -5.694 -9.145 379 HD12 ILE 16 HD12 ILE 16 14.559 -5.987 -10.452 380 HD13 ILE 16 HD13 ILE 16 13.058 -5.110 -10.772 381 H THR 17 H THR 17 14.323 -3.210 -5.774 382 HA THR 17 HA THR 17 16.432 -4.036 -4.045 383 HB THR 17 HB THR 17 16.608 -1.903 -3.289 384 HG1 THR 17 HG1 THR 17 14.395 -1.764 -2.624 385 HG21 THR 17 HG21 THR 17 16.923 -2.147 -5.747 386 HG22 THR 17 HG22 THR 17 16.663 -0.502 -5.155 387 HG23 THR 17 HG23 THR 17 15.343 -1.385 -5.958 388 H GLY 18 H GLY 18 13.619 -5.007 -4.587 389 HA2 GLY 18 HA2 GLY 18 11.650 -5.415 -3.487 390 HA3 GLY 18 HA3 GLY 18 12.731 -6.394 -2.548 391 H LYS 19 H LYS 19 12.637 -2.868 -2.722 392 HA LYS 19 HA LYS 19 11.959 -2.882 0.129 393 HB2 LYS 19 HB2 LYS 19 13.386 -1.190 0.513 394 HB3 LYS 19 HB3 LYS 19 14.187 -1.925 -0.892 395 HG2 LYS 19 HG2 LYS 19 13.667 -0.216 -2.240 396 HG3 LYS 19 HG3 LYS 19 12.147 0.126 -1.405 397 HD2 LYS 19 HD2 LYS 19 14.661 0.635 0.086 398 HD3 LYS 19 HD3 LYS 19 14.273 1.740 -1.234 399 HE2 LYS 19 HE2 LYS 19 12.052 2.114 -0.220 400 HE3 LYS 19 HE3 LYS 19 12.516 1.076 1.127 401 HZ1 LYS 19 HZ1 LYS 19 14.290 2.617 1.666 402 HZ2 LYS 19 HZ2 LYS 19 12.801 3.420 1.654 403 HZ3 LYS 19 HZ3 LYS 19 13.871 3.607 0.358 404 H ARG 20 H ARG 20 10.834 -0.888 0.907 405 HA ARG 20 HA ARG 20 8.764 -0.167 -1.024 406 HB2 ARG 20 HB2 ARG 20 7.058 -0.463 0.605 407 HB3 ARG 20 HB3 ARG 20 8.119 -1.894 0.652 408 HG2 ARG 20 HG2 ARG 20 9.191 -0.129 2.523 409 HG3 ARG 20 HG3 ARG 20 7.443 -0.048 2.750 410 HD2 ARG 20 HD2 ARG 20 8.126 -2.767 2.383 411 HD3 ARG 20 HD3 ARG 20 9.268 -2.095 3.544 412 HE ARG 20 HE ARG 20 7.174 -1.270 4.729 413 HH11 ARG 20 HH11 ARG 20 7.249 -4.234 2.850 414 HH12 ARG 20 HH12 ARG 20 5.979 -4.978 3.757 415 HH21 ARG 20 HH21 ARG 20 5.506 -2.266 5.914 416 HH22 ARG 20 HH22 ARG 20 4.991 -3.865 5.493 417 H GLN 21 H GLN 21 7.755 1.724 -0.925 418 HA GLN 21 HA GLN 21 8.484 3.683 1.067 419 HB2 GLN 21 HB2 GLN 21 8.560 5.099 -1.282 420 HB3 GLN 21 HB3 GLN 21 9.886 4.813 -0.208 421 HG2 GLN 21 HG2 GLN 21 10.306 2.727 -1.482 422 HG3 GLN 21 HG3 GLN 21 9.069 3.235 -2.588 423 HE21 GLN 21 HE21 GLN 21 9.439 5.238 -3.762 424 HE22 GLN 21 HE22 GLN 21 11.056 5.702 -4.089 425 H PHE 22 H PHE 22 6.857 5.348 1.210 426 HA PHE 22 HA PHE 22 4.340 4.584 -0.074 427 HB2 PHE 22 HB2 PHE 22 5.103 6.430 2.144 428 HB3 PHE 22 HB3 PHE 22 3.628 6.773 1.258 429 HD1 PHE 22 HD2 PHE 22 5.007 3.423 2.073 430 HD2 PHE 22 HD1 PHE 22 1.978 6.307 2.878 431 HE1 PHE 22 HE2 PHE 22 3.804 1.774 3.430 432 HE2 PHE 22 HE1 PHE 22 0.769 4.662 4.236 433 HZ PHE 22 HZ PHE 22 1.691 2.406 4.502 434 H GLU 23 H GLU 23 6.329 5.408 -1.813 435 HA GLU 23 HA GLU 23 5.288 7.887 -2.951 436 HB2 GLU 23 HB2 GLU 23 7.213 8.873 -2.409 437 HB3 GLU 23 HB3 GLU 23 7.904 7.339 -1.850 438 HG2 GLU 23 HG2 GLU 23 8.505 6.771 -4.154 439 HG3 GLU 23 HG3 GLU 23 7.821 8.304 -4.696 440 H ARG 24 H ARG 24 5.473 8.214 -5.017 441 HA ARG 24 HA ARG 24 5.978 5.903 -6.704 442 HB2 ARG 24 HB2 ARG 24 4.005 7.210 -7.199 443 HB3 ARG 24 HB3 ARG 24 4.977 8.669 -7.373 444 HG2 ARG 24 HG2 ARG 24 6.255 7.432 -9.121 445 HG3 ARG 24 HG3 ARG 24 4.962 6.225 -9.060 446 HD2 ARG 24 HD2 ARG 24 3.706 8.717 -9.234 447 HD3 ARG 24 HD3 ARG 24 5.028 8.774 -10.393 448 HE ARG 24 HE ARG 24 4.051 7.050 -11.609 449 HH11 ARG 24 HH11 ARG 24 2.100 7.907 -8.823 450 HH12 ARG 24 HH12 ARG 24 0.688 7.102 -9.415 451 HH21 ARG 24 HH21 ARG 24 2.183 5.993 -12.376 452 HH22 ARG 24 HH22 ARG 24 0.734 6.016 -11.428 453 HA PRO 25 HA PRO 25 10.161 7.271 -6.352 454 HB2 PRO 25 HB2 PRO 25 10.625 5.124 -8.141 455 HB3 PRO 25 HB3 PRO 25 11.238 5.405 -6.537 456 HG2 PRO 25 HG2 PRO 25 9.434 3.507 -7.004 457 HG3 PRO 25 HG3 PRO 25 9.418 4.433 -5.549 458 HD2 PRO 25 HD2 PRO 25 7.619 4.717 -7.903 459 HD3 PRO 25 HD3 PRO 25 7.305 4.862 -6.155 460 H SER 26 H SER 26 11.529 8.323 -7.348 461 HA SER 26 HA SER 26 11.029 9.693 -9.709 462 HB2 SER 26 HB2 SER 26 13.525 9.368 -8.185 463 HB3 SER 26 HB3 SER 26 13.165 10.674 -9.326 464 HG SER 26 HG SER 26 11.693 11.513 -7.901 465 H ASP 27 H ASP 27 12.741 7.024 -8.811 466 HA ASP 27 HA ASP 27 13.362 5.229 -10.093 467 HB2 ASP 27 HB2 ASP 27 12.794 5.230 -12.173 468 HB3 ASP 27 HB3 ASP 27 12.306 6.904 -11.972 Start of MODEL 22 1 H1 LYS 1 H1 LYS 1 6.417 6.953 -17.068 2 H2 LYS 1 H2 LYS 1 5.562 8.109 -16.131 3 H3 LYS 1 H3 LYS 1 4.820 7.399 -17.506 4 HA LYS 1 HA LYS 1 4.036 6.516 -15.393 5 HB2 LYS 1 HB2 LYS 1 4.130 4.200 -16.141 6 HB3 LYS 1 HB3 LYS 1 3.928 5.269 -17.522 7 HG2 LYS 1 HG2 LYS 1 6.723 4.710 -16.954 8 HG3 LYS 1 HG3 LYS 1 5.785 3.250 -17.271 9 HD2 LYS 1 HD2 LYS 1 4.862 4.615 -19.292 10 HD3 LYS 1 HD3 LYS 1 6.309 5.594 -19.055 11 HE2 LYS 1 HE2 LYS 1 6.209 2.628 -19.557 12 HE3 LYS 1 HE3 LYS 1 6.695 3.868 -20.708 13 HZ1 LYS 1 HZ1 LYS 1 8.452 4.448 -18.951 14 HZ2 LYS 1 HZ2 LYS 1 8.693 3.067 -19.896 15 HZ3 LYS 1 HZ3 LYS 1 8.126 2.916 -18.311 16 H LEU 2 H LEU 2 4.544 4.607 -13.876 17 HA LEU 2 HA LEU 2 6.273 5.170 -11.934 18 HB2 LEU 2 HB2 LEU 2 5.231 2.667 -13.053 19 HB3 LEU 2 HB3 LEU 2 6.474 2.623 -11.850 20 HG LEU 2 HG LEU 2 3.794 3.905 -11.431 21 HD11 LEU 2 HD11 LEU 2 5.063 1.365 -10.508 22 HD12 LEU 2 HD12 LEU 2 3.694 1.489 -11.637 23 HD13 LEU 2 HD13 LEU 2 3.501 1.962 -9.923 24 HD21 LEU 2 HD21 LEU 2 6.279 3.687 -9.949 25 HD22 LEU 2 HD22 LEU 2 4.832 3.312 -9.000 26 HD23 LEU 2 HD23 LEU 2 5.024 4.894 -9.834 27 HA PRO 3 HA PRO 3 10.517 4.556 -13.168 28 HB2 PRO 3 HB2 PRO 3 11.168 4.129 -10.461 29 HB3 PRO 3 HB3 PRO 3 11.518 5.473 -11.513 30 HG2 PRO 3 HG2 PRO 3 9.744 5.517 -9.408 31 HG3 PRO 3 HG3 PRO 3 9.774 6.678 -10.750 32 HD2 PRO 3 HD2 PRO 3 7.922 4.455 -10.235 33 HD3 PRO 3 HD3 PRO 3 7.667 5.918 -11.133 34 HA PRO 4 HA PRO 4 11.595 0.275 -13.447 35 HB2 PRO 4 HB2 PRO 4 14.175 1.473 -12.821 36 HB3 PRO 4 HB3 PRO 4 13.762 0.309 -14.040 37 HG2 PRO 4 HG2 PRO 4 14.007 2.650 -14.888 38 HG3 PRO 4 HG3 PRO 4 12.460 1.892 -15.211 39 HD2 PRO 4 HD2 PRO 4 13.129 3.699 -13.023 40 HD3 PRO 4 HD3 PRO 4 11.873 3.839 -14.224 41 H GLY 5 H GLY 5 12.434 -1.476 -12.455 42 HA2 GLY 5 HA2 GLY 5 12.649 -2.902 -10.705 43 HA3 GLY 5 HA3 GLY 5 13.643 -1.626 -10.084 44 H TRP 6 H TRP 6 10.230 -1.088 -10.530 45 HA TRP 6 HA TRP 6 9.899 -1.101 -7.609 46 HB2 TRP 6 HB2 TRP 6 9.083 0.765 -9.778 47 HB3 TRP 6 HB3 TRP 6 8.078 0.687 -8.407 48 HD1 TRP 6 HD1 TRP 6 10.672 2.616 -9.631 49 HE1 TRP 6 HE1 TRP 6 11.901 3.916 -7.815 50 HE3 TRP 6 HE3 TRP 6 8.827 0.152 -5.709 51 HZ2 TRP 6 HZ2 TRP 6 11.881 3.877 -4.991 52 HZ3 TRP 6 HZ3 TRP 6 9.432 0.860 -3.488 53 HH2 TRP 6 HH2 TRP 6 10.893 2.638 -3.119 54 H GLU 7 H GLU 7 7.528 -1.171 -6.965 55 HA GLU 7 HA GLU 7 5.615 -2.215 -8.759 56 HB2 GLU 7 HB2 GLU 7 5.224 -4.404 -7.643 57 HB3 GLU 7 HB3 GLU 7 6.796 -4.326 -8.423 58 HG2 GLU 7 HG2 GLU 7 6.920 -3.505 -5.643 59 HG3 GLU 7 HG3 GLU 7 6.263 -5.125 -5.830 60 H LYS 8 H LYS 8 3.781 -1.387 -8.206 61 HA LYS 8 HA LYS 8 3.397 0.065 -5.809 62 HB2 LYS 8 HB2 LYS 8 2.243 0.557 -8.072 63 HB3 LYS 8 HB3 LYS 8 1.273 -0.902 -7.816 64 HG2 LYS 8 HG2 LYS 8 0.540 0.224 -5.596 65 HG3 LYS 8 HG3 LYS 8 1.138 1.700 -6.346 66 HD2 LYS 8 HD2 LYS 8 -0.904 -0.151 -7.569 67 HD3 LYS 8 HD3 LYS 8 -1.278 1.347 -6.717 68 HE2 LYS 8 HE2 LYS 8 0.691 1.891 -8.707 69 HE3 LYS 8 HE3 LYS 8 -0.627 0.990 -9.450 70 HZ1 LYS 8 HZ1 LYS 8 -2.186 2.615 -8.699 71 HZ2 LYS 8 HZ2 LYS 8 -0.931 3.430 -9.486 72 HZ3 LYS 8 HZ3 LYS 8 -1.007 3.427 -7.797 73 H ARG 9 H ARG 9 2.514 -0.509 -3.873 74 HA ARG 9 HA ARG 9 0.970 -3.009 -3.699 75 HB2 ARG 9 HB2 ARG 9 3.559 -2.481 -2.514 76 HB3 ARG 9 HB3 ARG 9 2.359 -2.812 -1.272 77 HG2 ARG 9 HG2 ARG 9 1.753 -4.850 -2.755 78 HG3 ARG 9 HG3 ARG 9 3.344 -4.579 -3.468 79 HD2 ARG 9 HD2 ARG 9 3.519 -6.187 -1.660 80 HD3 ARG 9 HD3 ARG 9 4.330 -4.706 -1.200 81 HE ARG 9 HE ARG 9 2.419 -4.199 0.142 82 HH11 ARG 9 HH11 ARG 9 2.649 -7.541 -0.946 83 HH12 ARG 9 HH12 ARG 9 1.961 -8.156 0.517 84 HH21 ARG 9 HH21 ARG 9 1.669 -4.991 1.939 85 HH22 ARG 9 HH22 ARG 9 1.368 -6.676 2.198 86 H CYS 10 H CYS 10 -0.991 -1.936 -3.453 87 HA CYS 10 HA CYS 10 -1.208 -0.113 -1.150 88 HB2 CYS 10 HB2 CYS 10 -3.517 -0.250 -2.965 89 HB3 CYS 10 HB3 CYS 10 -2.733 1.138 -2.235 90 H PHE 11 H PHE 11 -1.639 -1.263 0.581 91 HA PHE 11 HA PHE 11 -3.940 -3.090 0.462 92 HB2 PHE 11 HB2 PHE 11 -2.970 -4.408 2.252 93 HB3 PHE 11 HB3 PHE 11 -1.736 -4.190 1.009 94 HD1 PHE 11 HD2 PHE 11 -2.870 -3.200 4.343 95 HD2 PHE 11 HD1 PHE 11 0.271 -2.956 1.483 96 HE1 PHE 11 HE2 PHE 11 -1.360 -2.315 6.078 97 HE2 PHE 11 HE1 PHE 11 1.779 -2.064 3.211 98 HZ PHE 11 HZ PHE 11 0.965 -1.744 5.511 99 H TYR 12 H TYR 12 -5.553 -2.811 1.970 100 HA TYR 12 HA TYR 12 -5.599 -0.304 3.425 101 HB2 TYR 12 HB2 TYR 12 -7.604 -2.433 2.767 102 HB3 TYR 12 HB3 TYR 12 -7.894 -1.467 4.210 103 HD1 TYR 12 HD2 TYR 12 -7.647 -1.381 0.538 104 HD2 TYR 12 HD1 TYR 12 -8.393 0.942 4.024 105 HE1 TYR 12 HE2 TYR 12 -8.498 0.376 -0.848 106 HE2 TYR 12 HE1 TYR 12 -9.225 2.691 2.664 107 HH TYR 12 HH TYR 12 -9.077 2.623 -0.861 108 H PHE 13 H PHE 13 -5.553 -0.179 5.719 109 HA PHE 13 HA PHE 13 -5.092 -2.767 7.123 110 HB2 PHE 13 HB2 PHE 13 -2.976 -1.319 6.749 111 HB3 PHE 13 HB3 PHE 13 -3.672 -0.247 7.965 112 HD1 PHE 13 HD2 PHE 13 -2.260 -3.533 7.324 113 HD2 PHE 13 HD1 PHE 13 -3.876 -0.973 10.298 114 HE1 PHE 13 HE2 PHE 13 -1.346 -4.979 9.061 115 HE2 PHE 13 HE1 PHE 13 -2.928 -2.361 12.050 116 HZ PHE 13 HZ PHE 13 -1.661 -4.404 11.446 117 H ASN 14 H ASN 14 -6.662 -3.039 8.501 118 HA ASN 14 HA ASN 14 -7.966 -0.727 9.620 119 HB2 ASN 14 HB2 ASN 14 -9.520 -2.567 10.615 120 HB3 ASN 14 HB3 ASN 14 -9.682 -2.117 8.950 121 HD21 ASN 14 HD21 ASN 14 -10.798 -4.367 9.580 122 HD22 ASN 14 HD22 ASN 14 -9.870 -5.718 9.036 123 H ARG 15 H ARG 15 -6.234 -0.213 11.058 124 HA ARG 15 HA ARG 15 -4.905 -1.909 12.694 125 HB2 ARG 15 HB2 ARG 15 -4.020 0.175 12.629 126 HB3 ARG 15 HB3 ARG 15 -5.562 0.983 12.923 127 HG2 ARG 15 HG2 ARG 15 -5.436 0.685 15.190 128 HG3 ARG 15 HG3 ARG 15 -4.352 -0.701 15.055 129 HD2 ARG 15 HD2 ARG 15 -3.605 2.151 14.412 130 HD3 ARG 15 HD3 ARG 15 -3.215 1.327 15.922 131 HE ARG 15 HE ARG 15 -1.882 1.050 13.401 132 HH11 ARG 15 HH11 ARG 15 -2.612 -0.599 16.406 133 HH12 ARG 15 HH12 ARG 15 -1.250 -1.661 16.294 134 HH21 ARG 15 HH21 ARG 15 -0.092 -0.353 13.262 135 HH22 ARG 15 HH22 ARG 15 0.181 -1.522 14.511 136 H ILE 16 H ILE 16 -8.324 -1.364 12.996 137 HA ILE 16 HA ILE 16 -8.593 -1.732 15.741 138 HB ILE 16 HB ILE 16 -10.329 -2.233 13.394 139 HG12 ILE 16 HG12 ILE 16 -10.844 -0.109 13.687 140 HG13 ILE 16 HG13 ILE 16 -11.396 -0.466 15.285 141 HG21 ILE 16 HG21 ILE 16 -10.764 -2.697 16.300 142 HG22 ILE 16 HG22 ILE 16 -10.740 -3.912 15.014 143 HG23 ILE 16 HG23 ILE 16 -12.059 -2.717 15.094 144 HD11 ILE 16 HD11 ILE 16 -8.519 -0.024 15.029 145 HD12 ILE 16 HD12 ILE 16 -9.653 0.545 16.251 146 HD13 ILE 16 HD13 ILE 16 -9.548 1.370 14.691 147 H THR 17 H THR 17 -8.834 -3.735 12.934 148 HA THR 17 HA THR 17 -8.435 -6.119 14.452 149 HB THR 17 HB THR 17 -9.661 -7.279 12.928 150 HG1 THR 17 HG1 THR 17 -8.358 -6.571 11.134 151 HG21 THR 17 HG21 THR 17 -11.641 -6.049 12.532 152 HG22 THR 17 HG22 THR 17 -10.760 -4.501 12.595 153 HG23 THR 17 HG23 THR 17 -10.925 -5.495 14.048 154 H GLY 18 H GLY 18 -6.632 -3.970 13.468 155 HA2 GLY 18 HA2 GLY 18 -4.794 -3.642 12.138 156 HA3 GLY 18 HA3 GLY 18 -4.191 -4.921 13.145 157 H LYS 19 H LYS 19 -6.775 -5.231 10.789 158 HA LYS 19 HA LYS 19 -5.343 -7.344 9.488 159 HB2 LYS 19 HB2 LYS 19 -8.056 -6.294 9.515 160 HB3 LYS 19 HB3 LYS 19 -7.522 -7.096 8.037 161 HG2 LYS 19 HG2 LYS 19 -6.747 -8.932 9.540 162 HG3 LYS 19 HG3 LYS 19 -7.733 -8.148 10.802 163 HD2 LYS 19 HD2 LYS 19 -9.313 -9.579 9.966 164 HD3 LYS 19 HD3 LYS 19 -9.541 -8.246 8.832 165 HE2 LYS 19 HE2 LYS 19 -8.014 -9.354 7.253 166 HE3 LYS 19 HE3 LYS 19 -7.840 -10.697 8.382 167 HZ1 LYS 19 HZ1 LYS 19 -9.444 -11.342 6.803 168 HZ2 LYS 19 HZ2 LYS 19 -10.273 -9.872 6.906 169 HZ3 LYS 19 HZ3 LYS 19 -10.317 -10.960 8.201 170 H ARG 20 H ARG 20 -5.146 -7.543 7.235 171 HA ARG 20 HA ARG 20 -4.980 -5.006 5.824 172 HB2 ARG 20 HB2 ARG 20 -2.868 -5.428 4.897 173 HB3 ARG 20 HB3 ARG 20 -2.749 -5.783 6.644 174 HG2 ARG 20 HG2 ARG 20 -1.728 -7.656 5.966 175 HG3 ARG 20 HG3 ARG 20 -3.368 -8.229 5.656 176 HD2 ARG 20 HD2 ARG 20 -2.892 -8.433 3.496 177 HD3 ARG 20 HD3 ARG 20 -2.534 -6.710 3.408 178 HE ARG 20 HE ARG 20 -0.274 -7.182 3.546 179 HH11 ARG 20 HH11 ARG 20 -2.132 -10.113 4.034 180 HH12 ARG 20 HH12 ARG 20 -0.759 -11.154 3.870 181 HH21 ARG 20 HH21 ARG 20 1.529 -8.562 3.336 182 HH22 ARG 20 HH22 ARG 20 1.318 -10.275 3.476 183 H GLN 21 H GLN 21 -5.501 -4.971 3.791 184 HA GLN 21 HA GLN 21 -5.905 -7.408 2.302 185 HB2 GLN 21 HB2 GLN 21 -8.211 -5.940 1.864 186 HB3 GLN 21 HB3 GLN 21 -8.092 -7.514 2.579 187 HG2 GLN 21 HG2 GLN 21 -7.715 -6.335 4.749 188 HG3 GLN 21 HG3 GLN 21 -8.094 -4.859 3.919 189 HE21 GLN 21 HE21 GLN 21 -10.228 -4.852 2.797 190 HE22 GLN 21 HE22 GLN 21 -11.524 -5.620 3.615 191 H PHE 22 H PHE 22 -5.914 -7.001 0.029 192 HA PHE 22 HA PHE 22 -4.879 -4.372 -0.705 193 HB2 PHE 22 HB2 PHE 22 -5.357 -6.941 -2.208 194 HB3 PHE 22 HB3 PHE 22 -4.948 -5.456 -3.052 195 HD1 PHE 22 HD2 PHE 22 -2.802 -4.229 -2.135 196 HD2 PHE 22 HD1 PHE 22 -3.639 -8.347 -1.559 197 HE1 PHE 22 HE2 PHE 22 -0.429 -4.649 -1.742 198 HE2 PHE 22 HE1 PHE 22 -1.267 -8.778 -1.163 199 HZ PHE 22 HZ PHE 22 0.322 -6.924 -1.260 200 H GLU 23 H GLU 23 -7.471 -4.386 0.335 201 HA GLU 23 HA GLU 23 -9.139 -3.447 -1.860 202 HB2 GLU 23 HB2 GLU 23 -10.442 -5.239 -1.566 203 HB3 GLU 23 HB3 GLU 23 -9.509 -5.748 -0.147 204 HG2 GLU 23 HG2 GLU 23 -10.800 -4.184 1.244 205 HG3 GLU 23 HG3 GLU 23 -11.750 -3.740 -0.176 206 H ARG 24 H ARG 24 -10.679 -2.069 -1.407 207 HA ARG 24 HA ARG 24 -10.406 -0.516 1.034 208 HB2 ARG 24 HB2 ARG 24 -10.556 0.723 -1.015 209 HB3 ARG 24 HB3 ARG 24 -12.032 -0.126 -1.466 210 HG2 ARG 24 HG2 ARG 24 -13.264 0.920 0.175 211 HG3 ARG 24 HG3 ARG 24 -11.818 1.475 1.029 212 HD2 ARG 24 HD2 ARG 24 -11.478 2.561 -1.441 213 HD3 ARG 24 HD3 ARG 24 -13.228 2.666 -1.251 214 HE ARG 24 HE ARG 24 -11.245 4.213 0.078 215 HH11 ARG 24 HH11 ARG 24 -14.451 2.862 0.480 216 HH12 ARG 24 HH12 ARG 24 -14.944 4.061 1.627 217 HH21 ARG 24 HH21 ARG 24 -11.902 5.788 1.588 218 HH22 ARG 24 HH22 ARG 24 -13.499 5.723 2.251 219 HA PRO 25 HA PRO 25 -13.316 -3.506 2.628 220 HB2 PRO 25 HB2 PRO 25 -12.848 -2.077 5.028 221 HB3 PRO 25 HB3 PRO 25 -12.545 -3.756 4.662 222 HG2 PRO 25 HG2 PRO 25 -10.530 -2.065 4.975 223 HG3 PRO 25 HG3 PRO 25 -10.475 -3.301 3.779 224 HD2 PRO 25 HD2 PRO 25 -11.071 -0.390 3.364 225 HD3 PRO 25 HD3 PRO 25 -10.046 -1.516 2.440 226 H SER 26 H SER 26 -15.297 -3.564 3.343 227 HA SER 26 HA SER 26 -16.862 -1.303 2.850 228 HB2 SER 26 HB2 SER 26 -18.736 -2.560 3.204 229 HB3 SER 26 HB3 SER 26 -17.580 -3.651 2.415 230 HG SER 26 HG SER 26 -18.709 -3.796 4.918 231 H ASP 27 H ASP 27 -18.006 -0.240 3.953 232 HA ASP 27 HA ASP 27 -17.145 0.865 6.255 233 HB2 ASP 27 HB2 ASP 27 -18.543 2.394 5.629 234 HB3 ASP 27 HB3 ASP 27 -19.034 1.309 4.330 235 H1 LYS 1 H1 LYS 1 -17.187 7.079 4.885 236 H2 LYS 1 H2 LYS 1 -17.180 6.370 3.321 237 H3 LYS 1 H3 LYS 1 -16.880 8.050 3.505 238 HA LYS 1 HA LYS 1 -14.876 6.846 3.074 239 HB2 LYS 1 HB2 LYS 1 -13.602 7.899 4.781 240 HB3 LYS 1 HB3 LYS 1 -15.028 8.897 4.548 241 HG2 LYS 1 HG2 LYS 1 -15.371 8.797 6.731 242 HG3 LYS 1 HG3 LYS 1 -15.725 7.078 6.551 243 HD2 LYS 1 HD2 LYS 1 -13.385 6.535 6.909 244 HD3 LYS 1 HD3 LYS 1 -12.979 8.248 7.003 245 HE2 LYS 1 HE2 LYS 1 -14.980 7.957 8.866 246 HE3 LYS 1 HE3 LYS 1 -14.070 6.455 9.006 247 HZ1 LYS 1 HZ1 LYS 1 -12.242 7.521 9.776 248 HZ2 LYS 1 HZ2 LYS 1 -13.400 8.625 10.324 249 HZ3 LYS 1 HZ3 LYS 1 -12.539 8.940 8.903 250 H LEU 2 H LEU 2 -13.075 5.660 4.387 251 HA LEU 2 HA LEU 2 -13.631 2.999 4.631 252 HB2 LEU 2 HB2 LEU 2 -11.588 4.735 5.907 253 HB3 LEU 2 HB3 LEU 2 -11.670 3.026 6.220 254 HG LEU 2 HG LEU 2 -11.252 4.238 3.509 255 HD11 LEU 2 HD11 LEU 2 -9.030 2.797 4.278 256 HD12 LEU 2 HD12 LEU 2 -9.545 3.625 5.753 257 HD13 LEU 2 HD13 LEU 2 -9.211 4.561 4.296 258 HD21 LEU 2 HD21 LEU 2 -11.653 2.207 2.707 259 HD22 LEU 2 HD22 LEU 2 -12.037 1.625 4.326 260 HD23 LEU 2 HD23 LEU 2 -10.377 1.561 3.739 261 HA PRO 3 HA PRO 3 -15.528 2.090 8.542 262 HB2 PRO 3 HB2 PRO 3 -13.991 -0.334 8.534 263 HB3 PRO 3 HB3 PRO 3 -15.730 -0.122 8.388 264 HG2 PRO 3 HG2 PRO 3 -14.253 -0.917 6.299 265 HG3 PRO 3 HG3 PRO 3 -15.644 0.136 6.106 266 HD2 PRO 3 HD2 PRO 3 -12.738 0.869 6.119 267 HD3 PRO 3 HD3 PRO 3 -14.042 1.363 5.040 268 HA PRO 4 HA PRO 4 -12.843 3.127 11.783 269 HB2 PRO 4 HB2 PRO 4 -13.918 0.685 12.948 270 HB3 PRO 4 HB3 PRO 4 -13.641 2.243 13.669 271 HG2 PRO 4 HG2 PRO 4 -16.027 1.810 12.976 272 HG3 PRO 4 HG3 PRO 4 -15.283 3.251 12.310 273 HD2 PRO 4 HD2 PRO 4 -15.567 0.644 11.037 274 HD3 PRO 4 HD3 PRO 4 -16.026 2.218 10.450 275 H GLY 5 H GLY 5 -10.922 2.918 12.389 276 HA2 GLY 5 HA2 GLY 5 -8.828 2.069 12.713 277 HA3 GLY 5 HA3 GLY 5 -9.547 0.488 12.559 278 H TRP 6 H TRP 6 -10.562 1.449 9.734 279 HA TRP 6 HA TRP 6 -8.348 0.342 8.326 280 HB2 TRP 6 HB2 TRP 6 -11.031 1.293 7.614 281 HB3 TRP 6 HB3 TRP 6 -9.891 1.163 6.321 282 HD1 TRP 6 HD1 TRP 6 -12.563 -0.492 7.566 283 HE1 TRP 6 HE1 TRP 6 -12.567 -3.010 7.284 284 HE3 TRP 6 HE3 TRP 6 -7.764 -1.028 6.432 285 HZ2 TRP 6 HZ2 TRP 6 -10.661 -4.991 6.529 286 HZ3 TRP 6 HZ3 TRP 6 -6.902 -3.229 5.917 287 HH2 TRP 6 HH2 TRP 6 -8.266 -5.130 5.932 288 H GLU 7 H GLU 7 -7.084 1.268 6.791 289 HA GLU 7 HA GLU 7 -7.312 4.047 6.098 290 HB2 GLU 7 HB2 GLU 7 -4.936 3.027 7.691 291 HB3 GLU 7 HB3 GLU 7 -4.868 4.483 6.712 292 HG2 GLU 7 HG2 GLU 7 -6.856 4.101 8.934 293 HG3 GLU 7 HG3 GLU 7 -5.261 4.807 9.173 294 H LYS 8 H LYS 8 -6.776 4.229 4.003 295 HA LYS 8 HA LYS 8 -5.704 1.900 2.678 296 HB2 LYS 8 HB2 LYS 8 -7.543 3.491 1.692 297 HB3 LYS 8 HB3 LYS 8 -6.228 4.640 1.414 298 HG2 LYS 8 HG2 LYS 8 -5.076 2.746 0.108 299 HG3 LYS 8 HG3 LYS 8 -6.659 1.973 0.110 300 HD2 LYS 8 HD2 LYS 8 -7.552 4.181 -0.811 301 HD3 LYS 8 HD3 LYS 8 -5.864 4.603 -1.105 302 HE2 LYS 8 HE2 LYS 8 -5.595 2.955 -2.706 303 HE3 LYS 8 HE3 LYS 8 -6.939 1.994 -2.090 304 HZ1 LYS 8 HZ1 LYS 8 -7.424 3.109 -4.216 305 HZ2 LYS 8 HZ2 LYS 8 -7.239 4.611 -3.461 306 HZ3 LYS 8 HZ3 LYS 8 -8.485 3.572 -2.982 307 H ARG 9 H ARG 9 -3.572 1.561 2.524 308 HA ARG 9 HA ARG 9 -1.784 3.873 2.166 309 HB2 ARG 9 HB2 ARG 9 -0.100 2.834 3.608 310 HB3 ARG 9 HB3 ARG 9 -1.583 3.153 4.491 311 HG2 ARG 9 HG2 ARG 9 -1.425 0.468 3.326 312 HG3 ARG 9 HG3 ARG 9 -0.200 0.816 4.545 313 HD2 ARG 9 HD2 ARG 9 -3.182 1.073 4.885 314 HD3 ARG 9 HD3 ARG 9 -2.153 -0.144 5.607 315 HE ARG 9 HE ARG 9 -2.478 2.581 6.393 316 HH11 ARG 9 HH11 ARG 9 -0.512 -0.317 6.700 317 HH12 ARG 9 HH12 ARG 9 -0.070 0.043 8.334 318 HH21 ARG 9 HH21 ARG 9 -1.992 2.951 8.411 319 HH22 ARG 9 HH22 ARG 9 -0.914 1.961 9.338 320 H CYS 10 H CYS 10 -0.318 3.685 0.559 321 HA CYS 10 HA CYS 10 0.084 1.001 -0.575 322 HB2 CYS 10 HB2 CYS 10 -1.481 2.202 -2.024 323 HB3 CYS 10 HB3 CYS 10 -0.358 3.546 -2.152 324 H PHE 11 H PHE 11 2.098 0.635 0.201 325 HA PHE 11 HA PHE 11 4.147 2.631 -0.372 326 HB2 PHE 11 HB2 PHE 11 5.683 1.376 0.970 327 HB3 PHE 11 HB3 PHE 11 4.159 1.412 1.861 328 HD1 PHE 11 HD1 PHE 11 6.338 -0.711 -0.292 329 HD2 PHE 11 HD2 PHE 11 3.059 -0.602 2.456 330 HE1 PHE 11 HE1 PHE 11 6.404 -3.166 -0.115 331 HE2 PHE 11 HE2 PHE 11 3.129 -3.064 2.627 332 HZ PHE 11 HZ PHE 11 4.800 -4.346 1.343 333 H TYR 12 H TYR 12 5.706 2.315 -1.909 334 HA TYR 12 HA TYR 12 5.242 0.066 -3.712 335 HB2 TYR 12 HB2 TYR 12 6.746 2.670 -4.054 336 HB3 TYR 12 HB3 TYR 12 6.738 1.376 -5.256 337 HD1 TYR 12 HD2 TYR 12 4.150 3.197 -3.194 338 HD2 TYR 12 HD1 TYR 12 5.242 1.699 -7.016 339 HE1 TYR 12 HE2 TYR 12 2.120 4.127 -4.137 340 HE2 TYR 12 HE1 TYR 12 3.268 2.567 -7.984 341 HH TYR 12 HH TYR 12 1.167 3.462 -7.491 342 H PHE 13 H PHE 13 6.933 -1.407 -4.134 343 HA PHE 13 HA PHE 13 9.307 -1.061 -2.374 344 HB2 PHE 13 HB2 PHE 13 7.708 -3.033 -1.929 345 HB3 PHE 13 HB3 PHE 13 8.352 -3.721 -3.427 346 HD1 PHE 13 HD1 PHE 13 9.275 -2.464 -0.103 347 HD2 PHE 13 HD2 PHE 13 10.518 -4.791 -3.453 348 HE1 PHE 13 HE1 PHE 13 11.179 -3.283 1.184 349 HE2 PHE 13 HE2 PHE 13 12.403 -5.665 -2.185 350 HZ PHE 13 HZ PHE 13 12.762 -4.912 0.153 351 H ASN 14 H ASN 14 11.161 -0.806 -3.341 352 HA ASN 14 HA ASN 14 11.227 -1.439 -6.149 353 HB2 ASN 14 HB2 ASN 14 13.417 -0.159 -6.120 354 HB3 ASN 14 HB3 ASN 14 11.975 0.770 -5.917 355 HD21 ASN 14 HD21 ASN 14 13.777 2.268 -5.289 356 HD22 ASN 14 HD22 ASN 14 14.166 2.314 -3.612 357 H ARG 15 H ARG 15 11.635 -3.681 -5.972 358 HA ARG 15 HA ARG 15 13.447 -4.745 -4.164 359 HB2 ARG 15 HB2 ARG 15 12.059 -6.343 -4.917 360 HB3 ARG 15 HB3 ARG 15 12.108 -5.791 -6.593 361 HG2 ARG 15 HG2 ARG 15 13.927 -7.037 -7.098 362 HG3 ARG 15 HG3 ARG 15 14.593 -6.935 -5.468 363 HD2 ARG 15 HD2 ARG 15 13.851 -9.218 -6.002 364 HD3 ARG 15 HD3 ARG 15 12.938 -8.526 -4.663 365 HE ARG 15 HE ARG 15 11.039 -8.553 -5.961 366 HH11 ARG 15 HH11 ARG 15 13.814 -9.280 -7.973 367 HH12 ARG 15 HH12 ARG 15 12.855 -9.790 -9.320 368 HH21 ARG 15 HH21 ARG 15 9.785 -9.227 -7.739 369 HH22 ARG 15 HH22 ARG 15 10.569 -9.760 -9.189 370 H ILE 16 H ILE 16 14.236 -2.602 -6.610 371 HA ILE 16 HA ILE 16 16.651 -3.644 -7.573 372 HB ILE 16 HB ILE 16 15.715 -0.840 -7.196 373 HG12 ILE 16 HG12 ILE 16 14.329 -2.244 -8.679 374 HG13 ILE 16 HG13 ILE 16 15.118 -0.927 -9.470 375 HG21 ILE 16 HG21 ILE 16 18.046 -0.942 -7.207 376 HG22 ILE 16 HG22 ILE 16 17.538 -0.406 -8.828 377 HG23 ILE 16 HG23 ILE 16 18.041 -2.082 -8.556 378 HD11 ILE 16 HD11 ILE 16 16.674 -2.380 -10.516 379 HD12 ILE 16 HD12 ILE 16 15.032 -3.006 -10.776 380 HD13 ILE 16 HD13 ILE 16 16.096 -3.737 -9.536 381 H THR 17 H THR 17 15.638 -1.329 -5.191 382 HA THR 17 HA THR 17 18.070 -1.579 -3.732 383 HB THR 17 HB THR 17 18.054 0.611 -3.244 384 HG1 THR 17 HG1 THR 17 16.155 0.657 -2.059 385 HG21 THR 17 HG21 THR 17 17.917 0.269 -5.679 386 HG22 THR 17 HG22 THR 17 17.431 1.877 -5.132 387 HG23 THR 17 HG23 THR 17 16.202 0.679 -5.605 388 H GLY 18 H GLY 18 15.658 -3.202 -3.915 389 HA2 GLY 18 HA2 GLY 18 13.882 -3.960 -2.649 390 HA3 GLY 18 HA3 GLY 18 15.216 -4.491 -1.676 391 H LYS 19 H LYS 19 14.074 -1.192 -2.262 392 HA LYS 19 HA LYS 19 13.510 -1.026 0.620 393 HB2 LYS 19 HB2 LYS 19 14.476 1.009 0.749 394 HB3 LYS 19 HB3 LYS 19 15.438 0.284 -0.555 395 HG2 LYS 19 HG2 LYS 19 14.499 1.558 -2.138 396 HG3 LYS 19 HG3 LYS 19 12.980 1.745 -1.258 397 HD2 LYS 19 HD2 LYS 19 15.438 2.974 -0.109 398 HD3 LYS 19 HD3 LYS 19 14.692 3.757 -1.504 399 HE2 LYS 19 HE2 LYS 19 12.582 3.921 -0.319 400 HE3 LYS 19 HE3 LYS 19 13.262 3.056 1.058 401 HZ1 LYS 19 HZ1 LYS 19 14.737 4.859 1.492 402 HZ2 LYS 19 HZ2 LYS 19 13.181 5.503 1.332 403 HZ3 LYS 19 HZ3 LYS 19 14.292 5.658 0.067 404 H ARG 20 H ARG 20 11.974 0.783 1.196 405 HA ARG 20 HA ARG 20 9.724 0.677 -0.674 406 HB2 ARG 20 HB2 ARG 20 8.201 0.336 1.112 407 HB3 ARG 20 HB3 ARG 20 9.592 -0.749 1.398 408 HG2 ARG 20 HG2 ARG 20 10.493 0.946 2.979 409 HG3 ARG 20 HG3 ARG 20 8.997 1.860 2.780 410 HD2 ARG 20 HD2 ARG 20 8.447 0.649 4.629 411 HD3 ARG 20 HD3 ARG 20 7.913 -0.477 3.384 412 HE ARG 20 HE ARG 20 10.260 -0.738 5.100 413 HH11 ARG 20 HH11 ARG 20 8.347 -2.041 2.464 414 HH12 ARG 20 HH12 ARG 20 9.070 -3.610 2.558 415 HH21 ARG 20 HH21 ARG 20 11.201 -2.808 5.213 416 HH22 ARG 20 HH22 ARG 20 10.687 -4.046 4.116 417 H GLN 21 H GLN 21 8.279 2.298 -0.812 418 HA GLN 21 HA GLN 21 8.732 4.774 0.617 419 HB2 GLN 21 HB2 GLN 21 8.215 5.606 -1.940 420 HB3 GLN 21 HB3 GLN 21 9.696 5.855 -1.048 421 HG2 GLN 21 HG2 GLN 21 10.502 3.761 -1.978 422 HG3 GLN 21 HG3 GLN 21 9.009 3.585 -2.841 423 HE21 GLN 21 HE21 GLN 21 8.545 5.114 -4.549 424 HE22 GLN 21 HE22 GLN 21 9.842 5.802 -5.397 425 H PHE 22 H PHE 22 6.811 5.956 0.868 426 HA PHE 22 HA PHE 22 4.381 4.574 0.218 427 HB2 PHE 22 HB2 PHE 22 5.033 7.120 1.611 428 HB3 PHE 22 HB3 PHE 22 3.480 7.084 0.787 429 HD1 PHE 22 HD2 PHE 22 5.273 4.327 2.543 430 HD2 PHE 22 HD1 PHE 22 1.901 6.927 2.497 431 HE1 PHE 22 HE2 PHE 22 4.297 3.085 4.416 432 HE2 PHE 22 HE1 PHE 22 0.918 5.690 4.372 433 HZ PHE 22 HZ PHE 22 2.124 3.776 5.318 434 H GLU 23 H GLU 23 6.380 6.940 -1.300 435 HA GLU 23 HA GLU 23 4.780 8.127 -3.209 436 HB2 GLU 23 HB2 GLU 23 6.790 9.093 -3.470 437 HB3 GLU 23 HB3 GLU 23 7.589 7.763 -2.623 438 HG2 GLU 23 HG2 GLU 23 7.528 6.487 -4.719 439 HG3 GLU 23 HG3 GLU 23 6.936 7.925 -5.536 440 H ARG 24 H ARG 24 4.890 7.789 -5.484 441 HA ARG 24 HA ARG 24 4.491 4.964 -6.000 442 HB2 ARG 24 HB2 ARG 24 2.478 5.708 -6.506 443 HB3 ARG 24 HB3 ARG 24 3.043 7.355 -6.762 444 HG2 ARG 24 HG2 ARG 24 3.469 7.016 -8.948 445 HG3 ARG 24 HG3 ARG 24 3.698 5.287 -8.723 446 HD2 ARG 24 HD2 ARG 24 1.110 5.555 -7.999 447 HD3 ARG 24 HD3 ARG 24 1.232 6.802 -9.236 448 HE ARG 24 HE ARG 24 1.305 3.953 -9.601 449 HH11 ARG 24 HH11 ARG 24 2.172 7.040 -11.005 450 HH12 ARG 24 HH12 ARG 24 2.178 6.439 -12.628 451 HH21 ARG 24 HH21 ARG 24 1.311 3.166 -11.743 452 HH22 ARG 24 HH22 ARG 24 1.690 4.240 -13.048 453 HA PRO 25 HA PRO 25 8.199 5.183 -8.614 454 HB2 PRO 25 HB2 PRO 25 9.433 3.492 -7.430 455 HB3 PRO 25 HB3 PRO 25 9.240 5.020 -6.675 456 HG2 PRO 25 HG2 PRO 25 7.783 2.477 -6.236 457 HG3 PRO 25 HG3 PRO 25 8.494 3.521 -5.027 458 HD2 PRO 25 HD2 PRO 25 5.861 3.739 -5.706 459 HD3 PRO 25 HD3 PRO 25 6.797 5.089 -5.167 460 H SER 26 H SER 26 6.329 2.680 -7.507 461 HA SER 26 HA SER 26 6.731 0.224 -8.048 462 HB2 SER 26 HB2 SER 26 4.583 0.472 -7.589 463 HB3 SER 26 HB3 SER 26 4.415 1.708 -8.805 464 HG SER 26 HG SER 26 4.852 -0.901 -9.692 465 H ASP 27 H ASP 27 7.308 2.097 -10.563 466 HA ASP 27 HA ASP 27 8.249 1.715 -12.582 467 HB2 ASP 27 HB2 ASP 27 9.549 0.014 -12.307 468 HB3 ASP 27 HB3 ASP 27 8.481 -0.643 -11.068 Start of MODEL 23 1 H1 LYS 1 H1 LYS 1 4.963 5.234 -16.067 2 H2 LYS 1 H2 LYS 1 3.458 4.427 -15.899 3 H3 LYS 1 H3 LYS 1 4.903 3.522 -16.099 4 HA LYS 1 HA LYS 1 4.365 5.312 -13.828 5 HB2 LYS 1 HB2 LYS 1 3.859 3.277 -12.561 6 HB3 LYS 1 HB3 LYS 1 2.735 3.485 -13.895 7 HG2 LYS 1 HG2 LYS 1 4.848 1.920 -14.886 8 HG3 LYS 1 HG3 LYS 1 4.448 1.275 -13.293 9 HD2 LYS 1 HD2 LYS 1 2.304 1.903 -15.290 10 HD3 LYS 1 HD3 LYS 1 3.174 0.371 -15.348 11 HE2 LYS 1 HE2 LYS 1 1.564 1.455 -13.047 12 HE3 LYS 1 HE3 LYS 1 1.125 0.117 -14.103 13 HZ1 LYS 1 HZ1 LYS 1 3.374 -0.851 -13.246 14 HZ2 LYS 1 HZ2 LYS 1 1.974 -0.990 -12.307 15 HZ3 LYS 1 HZ3 LYS 1 3.116 0.204 -11.948 16 H LEU 2 H LEU 2 5.708 4.458 -11.915 17 HA LEU 2 HA LEU 2 8.302 4.871 -12.233 18 HB2 LEU 2 HB2 LEU 2 8.659 4.148 -10.078 19 HB3 LEU 2 HB3 LEU 2 6.983 4.625 -10.125 20 HG LEU 2 HG LEU 2 8.121 1.895 -10.036 21 HD11 LEU 2 HD11 LEU 2 6.175 1.808 -8.357 22 HD12 LEU 2 HD12 LEU 2 6.315 3.571 -8.402 23 HD13 LEU 2 HD13 LEU 2 7.690 2.598 -7.872 24 HD21 LEU 2 HD21 LEU 2 5.281 2.539 -10.473 25 HD22 LEU 2 HD22 LEU 2 6.096 0.976 -10.585 26 HD23 LEU 2 HD23 LEU 2 6.443 2.227 -11.795 27 HA PRO 3 HA PRO 3 11.147 1.978 -13.805 28 HB2 PRO 3 HB2 PRO 3 12.139 1.647 -11.086 29 HB3 PRO 3 HB3 PRO 3 12.991 2.140 -12.543 30 HG2 PRO 3 HG2 PRO 3 12.296 3.901 -10.669 31 HG3 PRO 3 HG3 PRO 3 12.275 4.319 -12.381 32 HD2 PRO 3 HD2 PRO 3 10.020 3.754 -10.545 33 HD3 PRO 3 HD3 PRO 3 10.104 4.828 -11.918 34 HA PRO 4 HA PRO 4 10.461 -2.317 -13.388 35 HB2 PRO 4 HB2 PRO 4 13.365 -2.345 -13.266 36 HB3 PRO 4 HB3 PRO 4 12.281 -3.283 -14.247 37 HG2 PRO 4 HG2 PRO 4 13.405 -1.380 -15.444 38 HG3 PRO 4 HG3 PRO 4 11.651 -1.392 -15.491 39 HD2 PRO 4 HD2 PRO 4 13.349 0.094 -13.637 40 HD3 PRO 4 HD3 PRO 4 12.142 0.691 -14.741 41 H GLY 5 H GLY 5 10.511 -3.971 -12.027 42 HA2 GLY 5 HA2 GLY 5 10.815 -5.080 -10.029 43 HA3 GLY 5 HA3 GLY 5 11.995 -3.853 -9.630 44 H TRP 6 H TRP 6 10.052 -1.636 -10.103 45 HA TRP 6 HA TRP 6 8.998 -1.473 -7.491 46 HB2 TRP 6 HB2 TRP 6 8.955 0.222 -9.903 47 HB3 TRP 6 HB3 TRP 6 7.769 0.531 -8.703 48 HD1 TRP 6 HD1 TRP 6 10.694 1.800 -9.848 49 HE1 TRP 6 HE1 TRP 6 12.177 2.939 -8.104 50 HE3 TRP 6 HE3 TRP 6 8.354 0.193 -5.793 51 HZ2 TRP 6 HZ2 TRP 6 12.237 3.111 -5.249 52 HZ3 TRP 6 HZ3 TRP 6 9.103 0.870 -3.615 53 HH2 TRP 6 HH2 TRP 6 10.925 2.299 -3.326 54 H GLU 7 H GLU 7 6.843 -1.300 -6.912 55 HA GLU 7 HA GLU 7 4.732 -1.664 -8.753 56 HB2 GLU 7 HB2 GLU 7 3.865 -3.778 -7.622 57 HB3 GLU 7 HB3 GLU 7 5.131 -3.961 -8.823 58 HG2 GLU 7 HG2 GLU 7 6.789 -4.287 -7.116 59 HG3 GLU 7 HG3 GLU 7 5.622 -3.905 -5.851 60 H LYS 8 H LYS 8 3.544 -0.165 -7.960 61 HA LYS 8 HA LYS 8 3.502 0.846 -5.399 62 HB2 LYS 8 HB2 LYS 8 2.242 1.738 -7.558 63 HB3 LYS 8 HB3 LYS 8 0.940 0.642 -7.087 64 HG2 LYS 8 HG2 LYS 8 0.669 1.794 -4.961 65 HG3 LYS 8 HG3 LYS 8 2.014 2.867 -5.354 66 HD2 LYS 8 HD2 LYS 8 0.679 3.519 -7.425 67 HD3 LYS 8 HD3 LYS 8 -0.685 2.697 -6.668 68 HE2 LYS 8 HE2 LYS 8 -0.601 4.176 -4.778 69 HE3 LYS 8 HE3 LYS 8 0.887 4.915 -5.366 70 HZ1 LYS 8 HZ1 LYS 8 -1.348 6.100 -5.764 71 HZ2 LYS 8 HZ2 LYS 8 -1.552 4.985 -7.020 72 HZ3 LYS 8 HZ3 LYS 8 -0.225 6.035 -7.029 73 H ARG 9 H ARG 9 2.589 0.150 -3.450 74 HA ARG 9 HA ARG 9 0.754 -2.165 -3.540 75 HB2 ARG 9 HB2 ARG 9 2.796 -1.715 -1.361 76 HB3 ARG 9 HB3 ARG 9 1.799 -3.138 -1.618 77 HG2 ARG 9 HG2 ARG 9 3.505 -2.471 -3.888 78 HG3 ARG 9 HG3 ARG 9 4.391 -2.852 -2.414 79 HD2 ARG 9 HD2 ARG 9 2.294 -4.582 -3.718 80 HD3 ARG 9 HD3 ARG 9 4.023 -4.864 -3.740 81 HE ARG 9 HE ARG 9 2.198 -5.274 -1.578 82 HH11 ARG 9 HH11 ARG 9 5.566 -5.078 -2.561 83 HH12 ARG 9 HH12 ARG 9 6.079 -6.217 -1.363 84 HH21 ARG 9 HH21 ARG 9 2.830 -6.713 -0.186 85 HH22 ARG 9 HH22 ARG 9 4.486 -7.168 0.047 86 H CYS 10 H CYS 10 -1.134 -1.006 -3.225 87 HA CYS 10 HA CYS 10 -1.272 0.704 -0.841 88 HB2 CYS 10 HB2 CYS 10 -3.515 0.492 -2.810 89 HB3 CYS 10 HB3 CYS 10 -3.063 1.836 -1.774 90 H PHE 11 H PHE 11 -1.475 -0.711 0.823 91 HA PHE 11 HA PHE 11 -3.773 -2.533 0.751 92 HB2 PHE 11 HB2 PHE 11 -2.740 -3.807 2.533 93 HB3 PHE 11 HB3 PHE 11 -1.524 -3.527 1.283 94 HD1 PHE 11 HD2 PHE 11 -2.729 -2.461 4.590 95 HD2 PHE 11 HD1 PHE 11 0.477 -2.352 1.793 96 HE1 PHE 11 HE2 PHE 11 -1.252 -1.514 6.322 97 HE2 PHE 11 HE1 PHE 11 1.955 -1.403 3.517 98 HZ PHE 11 HZ PHE 11 1.091 -0.984 5.783 99 H TYR 12 H TYR 12 -5.418 -2.322 2.193 100 HA TYR 12 HA TYR 12 -5.660 0.128 3.706 101 HB2 TYR 12 HB2 TYR 12 -7.462 -2.128 2.963 102 HB3 TYR 12 HB3 TYR 12 -7.832 -1.300 4.470 103 HD1 TYR 12 HD2 TYR 12 -8.375 1.121 4.450 104 HD2 TYR 12 HD1 TYR 12 -7.802 -1.012 0.826 105 HE1 TYR 12 HE2 TYR 12 -9.502 2.849 3.287 106 HE2 TYR 12 HE1 TYR 12 -8.893 0.749 -0.407 107 HH TYR 12 HH TYR 12 -9.677 3.798 1.033 108 H PHE 13 H PHE 13 -5.687 0.248 5.999 109 HA PHE 13 HA PHE 13 -5.043 -2.289 7.422 110 HB2 PHE 13 HB2 PHE 13 -3.026 -0.701 7.066 111 HB3 PHE 13 HB3 PHE 13 -3.811 0.328 8.266 112 HD1 PHE 13 HD1 PHE 13 -2.197 -2.872 7.661 113 HD2 PHE 13 HD2 PHE 13 -3.977 -0.386 10.611 114 HE1 PHE 13 HE1 PHE 13 -1.220 -4.256 9.414 115 HE2 PHE 13 HE2 PHE 13 -2.962 -1.710 12.377 116 HZ PHE 13 HZ PHE 13 -1.581 -3.681 11.794 117 H ASN 14 H ASN 14 -6.603 -2.660 8.793 118 HA ASN 14 HA ASN 14 -8.074 -0.436 9.887 119 HB2 ASN 14 HB2 ASN 14 -9.512 -2.351 10.881 120 HB3 ASN 14 HB3 ASN 14 -9.671 -1.965 9.200 121 HD21 ASN 14 HD21 ASN 14 -10.644 -4.261 9.866 122 HD22 ASN 14 HD22 ASN 14 -9.611 -5.562 9.392 123 H ARG 15 H ARG 15 -6.444 0.225 11.358 124 HA ARG 15 HA ARG 15 -4.998 -1.377 13.004 125 HB2 ARG 15 HB2 ARG 15 -4.218 0.724 13.014 126 HB3 ARG 15 HB3 ARG 15 -5.815 1.464 13.147 127 HG2 ARG 15 HG2 ARG 15 -5.883 1.223 15.436 128 HG3 ARG 15 HG3 ARG 15 -4.680 -0.066 15.440 129 HD2 ARG 15 HD2 ARG 15 -4.008 2.743 14.603 130 HD3 ARG 15 HD3 ARG 15 -3.933 2.229 16.288 131 HE ARG 15 HE ARG 15 -2.110 1.528 14.164 132 HH11 ARG 15 HH11 ARG 15 -3.298 0.666 17.345 133 HH12 ARG 15 HH12 ARG 15 -1.877 -0.228 17.765 134 HH21 ARG 15 HH21 ARG 15 -0.246 0.345 14.724 135 HH22 ARG 15 HH22 ARG 15 -0.145 -0.411 16.279 136 H ILE 16 H ILE 16 -8.444 -1.117 13.233 137 HA ILE 16 HA ILE 16 -8.749 -1.493 15.972 138 HB ILE 16 HB ILE 16 -10.380 -2.147 13.585 139 HG12 ILE 16 HG12 ILE 16 -11.102 -0.081 13.851 140 HG13 ILE 16 HG13 ILE 16 -11.624 -0.461 15.454 141 HG21 ILE 16 HG21 ILE 16 -12.105 -2.758 15.252 142 HG22 ILE 16 HG22 ILE 16 -10.838 -2.633 16.484 143 HG23 ILE 16 HG23 ILE 16 -10.698 -3.844 15.201 144 HD11 ILE 16 HD11 ILE 16 -10.010 0.752 16.392 145 HD12 ILE 16 HD12 ILE 16 -9.913 1.507 14.798 146 HD13 ILE 16 HD13 ILE 16 -8.800 0.209 15.233 147 H THR 17 H THR 17 -8.766 -3.524 13.172 148 HA THR 17 HA THR 17 -8.200 -5.856 14.717 149 HB THR 17 HB THR 17 -9.326 -7.125 13.211 150 HG1 THR 17 HG1 THR 17 -8.062 -6.363 11.410 151 HG21 THR 17 HG21 THR 17 -10.623 -4.443 12.825 152 HG22 THR 17 HG22 THR 17 -10.735 -5.434 14.284 153 HG23 THR 17 HG23 THR 17 -11.387 -6.050 12.761 154 H GLY 18 H GLY 18 -6.560 -3.588 13.733 155 HA2 GLY 18 HA2 GLY 18 -4.738 -3.133 12.418 156 HA3 GLY 18 HA3 GLY 18 -4.051 -4.363 13.433 157 H LYS 19 H LYS 19 -6.590 -4.870 11.058 158 HA LYS 19 HA LYS 19 -4.991 -6.872 9.771 159 HB2 LYS 19 HB2 LYS 19 -7.776 -6.038 9.787 160 HB3 LYS 19 HB3 LYS 19 -7.176 -6.793 8.309 161 HG2 LYS 19 HG2 LYS 19 -6.257 -8.561 9.810 162 HG3 LYS 19 HG3 LYS 19 -7.303 -7.860 11.073 163 HD2 LYS 19 HD2 LYS 19 -9.149 -8.782 10.176 164 HD3 LYS 19 HD3 LYS 19 -8.678 -8.337 8.534 165 HE2 LYS 19 HE2 LYS 19 -7.139 -10.520 9.799 166 HE3 LYS 19 HE3 LYS 19 -8.820 -10.877 9.407 167 HZ1 LYS 19 HZ1 LYS 19 -8.204 -11.193 7.318 168 HZ2 LYS 19 HZ2 LYS 19 -6.605 -10.782 7.682 169 HZ3 LYS 19 HZ3 LYS 19 -7.696 -9.583 7.204 170 H ARG 20 H ARG 20 -4.748 -7.055 7.518 171 HA ARG 20 HA ARG 20 -4.740 -4.500 6.124 172 HB2 ARG 20 HB2 ARG 20 -2.610 -4.838 5.169 173 HB3 ARG 20 HB3 ARG 20 -2.483 -5.107 6.931 174 HG2 ARG 20 HG2 ARG 20 -2.311 -7.446 6.658 175 HG3 ARG 20 HG3 ARG 20 -2.788 -7.354 4.962 176 HD2 ARG 20 HD2 ARG 20 -0.619 -5.744 4.953 177 HD3 ARG 20 HD3 ARG 20 -0.170 -6.876 6.228 178 HE ARG 20 HE ARG 20 -1.064 -8.411 4.111 179 HH11 ARG 20 HH11 ARG 20 1.513 -6.109 4.675 180 HH12 ARG 20 HH12 ARG 20 2.580 -6.835 3.522 181 HH21 ARG 20 HH21 ARG 20 0.347 -9.364 2.593 182 HH22 ARG 20 HH22 ARG 20 1.919 -8.682 2.339 183 H GLN 21 H GLN 21 -5.279 -4.456 4.094 184 HA GLN 21 HA GLN 21 -5.489 -6.863 2.524 185 HB2 GLN 21 HB2 GLN 21 -7.934 -5.585 2.199 186 HB3 GLN 21 HB3 GLN 21 -7.654 -7.193 2.785 187 HG2 GLN 21 HG2 GLN 21 -7.313 -6.099 5.039 188 HG3 GLN 21 HG3 GLN 21 -7.935 -4.657 4.301 189 HE21 GLN 21 HE21 GLN 21 -10.074 -4.982 3.179 190 HE22 GLN 21 HE22 GLN 21 -11.212 -5.951 4.019 191 H PHE 22 H PHE 22 -5.466 -6.352 0.284 192 HA PHE 22 HA PHE 22 -4.769 -3.594 -0.322 193 HB2 PHE 22 HB2 PHE 22 -5.022 -6.091 -1.998 194 HB3 PHE 22 HB3 PHE 22 -4.647 -4.523 -2.699 195 HD1 PHE 22 HD1 PHE 22 -2.605 -3.283 -1.588 196 HD2 PHE 22 HD2 PHE 22 -3.274 -7.466 -1.361 197 HE1 PHE 22 HE1 PHE 22 -0.238 -3.629 -1.093 198 HE2 PHE 22 HE2 PHE 22 -0.909 -7.822 -0.864 199 HZ PHE 22 HZ PHE 22 0.593 -5.899 -0.732 200 H GLU 23 H GLU 23 -7.346 -3.896 0.698 201 HA GLU 23 HA GLU 23 -9.101 -2.996 -1.444 202 HB2 GLU 23 HB2 GLU 23 -10.167 -4.959 -1.341 203 HB3 GLU 23 HB3 GLU 23 -9.191 -5.472 0.044 204 HG2 GLU 23 HG2 GLU 23 -10.697 -4.300 1.563 205 HG3 GLU 23 HG3 GLU 23 -11.653 -3.750 0.190 206 H ARG 24 H ARG 24 -10.886 -1.926 -0.836 207 HA ARG 24 HA ARG 24 -10.840 -0.739 1.832 208 HB2 ARG 24 HB2 ARG 24 -10.934 0.810 -0.053 209 HB3 ARG 24 HB3 ARG 24 -12.400 0.031 -0.638 210 HG2 ARG 24 HG2 ARG 24 -13.400 0.560 1.577 211 HG3 ARG 24 HG3 ARG 24 -12.001 1.611 1.865 212 HD2 ARG 24 HD2 ARG 24 -12.590 3.062 0.166 213 HD3 ARG 24 HD3 ARG 24 -13.577 1.854 -0.656 214 HE ARG 24 HE ARG 24 -14.362 3.629 1.469 215 HH11 ARG 24 HH11 ARG 24 -15.116 0.662 -0.234 216 HH12 ARG 24 HH12 ARG 24 -16.789 0.684 0.208 217 HH21 ARG 24 HH21 ARG 24 -16.584 3.649 2.049 218 HH22 ARG 24 HH22 ARG 24 -17.621 2.376 1.502 219 HA PRO 25 HA PRO 25 -13.224 -4.372 2.690 220 HB2 PRO 25 HB2 PRO 25 -13.678 -3.012 5.154 221 HB3 PRO 25 HB3 PRO 25 -12.979 -4.569 4.835 222 HG2 PRO 25 HG2 PRO 25 -11.504 -2.420 5.526 223 HG3 PRO 25 HG3 PRO 25 -10.894 -3.713 4.591 224 HD2 PRO 25 HD2 PRO 25 -11.484 -1.016 3.720 225 HD3 PRO 25 HD3 PRO 25 -10.455 -2.274 3.024 226 H SER 26 H SER 26 -15.118 -5.036 2.733 227 HA SER 26 HA SER 26 -17.218 -3.739 1.626 228 HB2 SER 26 HB2 SER 26 -17.234 -6.056 3.438 229 HB3 SER 26 HB3 SER 26 -18.522 -5.632 2.303 230 HG SER 26 HG SER 26 -17.271 -6.234 0.626 231 H ASP 27 H ASP 27 -16.378 -4.164 4.819 232 HA ASP 27 HA ASP 27 -16.962 -3.029 6.694 233 HB2 ASP 27 HB2 ASP 27 -17.315 -0.976 6.118 234 HB3 ASP 27 HB3 ASP 27 -17.832 -1.489 4.517 235 H1 LYS 1 H1 LYS 1 -16.305 6.880 2.932 236 H2 LYS 1 H2 LYS 1 -15.675 6.971 4.526 237 H3 LYS 1 H3 LYS 1 -16.952 5.883 4.165 238 HA LYS 1 HA LYS 1 -15.288 4.955 2.461 239 HB2 LYS 1 HB2 LYS 1 -13.634 6.517 4.444 240 HB3 LYS 1 HB3 LYS 1 -12.981 5.068 3.708 241 HG2 LYS 1 HG2 LYS 1 -12.217 7.106 2.604 242 HG3 LYS 1 HG3 LYS 1 -13.125 6.083 1.499 243 HD2 LYS 1 HD2 LYS 1 -14.769 7.627 1.251 244 HD3 LYS 1 HD3 LYS 1 -14.709 8.109 2.946 245 HE2 LYS 1 HE2 LYS 1 -14.024 9.950 1.589 246 HE3 LYS 1 HE3 LYS 1 -12.631 9.346 2.479 247 HZ1 LYS 1 HZ1 LYS 1 -11.800 9.631 0.361 248 HZ2 LYS 1 HZ2 LYS 1 -13.225 9.129 -0.398 249 HZ3 LYS 1 HZ3 LYS 1 -12.213 7.990 0.337 250 H LEU 2 H LEU 2 -13.896 3.074 3.313 251 HA LEU 2 HA LEU 2 -15.298 1.256 4.592 252 HB2 LEU 2 HB2 LEU 2 -13.386 -0.048 4.773 253 HB3 LEU 2 HB3 LEU 2 -13.131 1.006 3.409 254 HG LEU 2 HG LEU 2 -11.946 1.239 6.121 255 HD11 LEU 2 HD11 LEU 2 -10.601 -0.193 4.897 256 HD12 LEU 2 HD12 LEU 2 -9.913 1.418 4.573 257 HD13 LEU 2 HD13 LEU 2 -10.982 0.650 3.392 258 HD21 LEU 2 HD21 LEU 2 -10.931 3.224 5.401 259 HD22 LEU 2 HD22 LEU 2 -12.701 3.328 5.263 260 HD23 LEU 2 HD23 LEU 2 -11.681 3.054 3.814 261 HA PRO 3 HA PRO 3 -15.967 1.052 8.867 262 HB2 PRO 3 HB2 PRO 3 -13.980 -1.081 8.975 263 HB3 PRO 3 HB3 PRO 3 -15.647 -1.065 9.526 264 HG2 PRO 3 HG2 PRO 3 -14.916 -2.256 7.237 265 HG3 PRO 3 HG3 PRO 3 -16.487 -1.487 7.434 266 HD2 PRO 3 HD2 PRO 3 -14.139 -0.616 5.880 267 HD3 PRO 3 HD3 PRO 3 -15.827 -0.237 5.650 268 HA PRO 4 HA PRO 4 -13.260 3.045 11.613 269 HB2 PRO 4 HB2 PRO 4 -14.010 0.817 13.325 270 HB3 PRO 4 HB3 PRO 4 -13.979 2.522 13.660 271 HG2 PRO 4 HG2 PRO 4 -16.263 1.581 13.190 272 HG3 PRO 4 HG3 PRO 4 -15.759 2.922 12.176 273 HD2 PRO 4 HD2 PRO 4 -15.576 0.075 11.557 274 HD3 PRO 4 HD3 PRO 4 -16.373 1.346 10.673 275 H GLY 5 H GLY 5 -11.340 3.031 12.476 276 HA2 GLY 5 HA2 GLY 5 -9.222 2.298 12.979 277 HA3 GLY 5 HA3 GLY 5 -9.838 0.674 12.795 278 H TRP 6 H TRP 6 -10.822 1.337 9.990 279 HA TRP 6 HA TRP 6 -8.512 0.503 8.610 280 HB2 TRP 6 HB2 TRP 6 -11.264 1.257 7.837 281 HB3 TRP 6 HB3 TRP 6 -10.067 1.183 6.613 282 HD1 TRP 6 HD1 TRP 6 -12.673 -0.631 7.796 283 HE1 TRP 6 HE1 TRP 6 -12.455 -3.172 7.574 284 HE3 TRP 6 HE3 TRP 6 -7.857 -0.814 6.658 285 HZ2 TRP 6 HZ2 TRP 6 -10.376 -5.016 6.903 286 HZ3 TRP 6 HZ3 TRP 6 -6.791 -2.929 6.197 287 HH2 TRP 6 HH2 TRP 6 -7.981 -4.949 6.269 288 H GLU 7 H GLU 7 -7.399 1.571 7.012 289 HA GLU 7 HA GLU 7 -7.944 4.234 6.272 290 HB2 GLU 7 HB2 GLU 7 -5.589 5.025 7.071 291 HB3 GLU 7 HB3 GLU 7 -6.983 5.165 8.126 292 HG2 GLU 7 HG2 GLU 7 -6.305 3.100 9.276 293 HG3 GLU 7 HG3 GLU 7 -4.888 2.999 8.230 294 H LYS 8 H LYS 8 -7.703 3.834 4.274 295 HA LYS 8 HA LYS 8 -6.158 1.953 3.022 296 HB2 LYS 8 HB2 LYS 8 -7.907 3.664 1.968 297 HB3 LYS 8 HB3 LYS 8 -6.511 4.728 1.764 298 HG2 LYS 8 HG2 LYS 8 -5.396 3.086 0.365 299 HG3 LYS 8 HG3 LYS 8 -6.720 1.948 0.606 300 HD2 LYS 8 HD2 LYS 8 -7.479 2.818 -1.331 301 HD3 LYS 8 HD3 LYS 8 -8.085 4.105 -0.286 302 HE2 LYS 8 HE2 LYS 8 -6.270 5.516 -0.800 303 HE3 LYS 8 HE3 LYS 8 -5.342 4.196 -1.510 304 HZ1 LYS 8 HZ1 LYS 8 -6.174 5.450 -3.296 305 HZ2 LYS 8 HZ2 LYS 8 -7.725 5.553 -2.630 306 HZ3 LYS 8 HZ3 LYS 8 -7.160 4.076 -3.231 307 H ARG 9 H ARG 9 -3.984 1.706 2.746 308 HA ARG 9 HA ARG 9 -2.213 4.054 2.926 309 HB2 ARG 9 HB2 ARG 9 -1.898 1.387 4.311 310 HB3 ARG 9 HB3 ARG 9 -0.556 2.500 4.086 311 HG2 ARG 9 HG2 ARG 9 -2.416 4.135 5.204 312 HG3 ARG 9 HG3 ARG 9 -2.791 2.594 5.978 313 HD2 ARG 9 HD2 ARG 9 -0.142 4.026 5.967 314 HD3 ARG 9 HD3 ARG 9 -1.182 3.728 7.344 315 HE ARG 9 HE ARG 9 0.601 1.910 6.055 316 HH11 ARG 9 HH11 ARG 9 -2.089 2.251 8.291 317 HH12 ARG 9 HH12 ARG 9 -1.591 0.893 9.242 318 HH21 ARG 9 HH21 ARG 9 1.228 0.316 7.269 319 HH22 ARG 9 HH22 ARG 9 0.339 -0.261 8.641 320 H CYS 10 H CYS 10 -0.100 3.747 1.810 321 HA CYS 10 HA CYS 10 0.139 1.426 0.100 322 HB2 CYS 10 HB2 CYS 10 -1.469 2.700 -1.205 323 HB3 CYS 10 HB3 CYS 10 -0.457 4.133 -1.119 324 H PHE 11 H PHE 11 2.124 0.943 -0.351 325 HA PHE 11 HA PHE 11 4.157 3.043 -0.437 326 HB2 PHE 11 HB2 PHE 11 5.777 1.732 0.803 327 HB3 PHE 11 HB3 PHE 11 4.306 1.845 1.775 328 HD1 PHE 11 HD2 PHE 11 6.238 -0.329 -0.496 329 HD2 PHE 11 HD1 PHE 11 3.183 -0.125 2.478 330 HE1 PHE 11 HE2 PHE 11 6.246 -2.798 -0.317 331 HE2 PHE 11 HE1 PHE 11 3.182 -2.589 2.656 332 HZ PHE 11 HZ PHE 11 4.715 -3.927 1.256 333 H TYR 12 H TYR 12 5.483 2.843 -2.170 334 HA TYR 12 HA TYR 12 4.959 0.803 -4.131 335 HB2 TYR 12 HB2 TYR 12 6.624 3.273 -3.991 336 HB3 TYR 12 HB3 TYR 12 7.194 2.014 -5.081 337 HD1 TYR 12 HD2 TYR 12 5.753 1.258 -6.957 338 HD2 TYR 12 HD1 TYR 12 4.601 4.547 -4.518 339 HE1 TYR 12 HE2 TYR 12 4.231 1.944 -8.649 340 HE2 TYR 12 HE1 TYR 12 2.998 5.250 -6.190 341 HH TYR 12 HH TYR 12 2.138 3.260 -8.867 342 H PHE 13 H PHE 13 6.310 -0.976 -4.589 343 HA PHE 13 HA PHE 13 8.670 -1.232 -2.801 344 HB2 PHE 13 HB2 PHE 13 6.689 -2.795 -2.274 345 HB3 PHE 13 HB3 PHE 13 7.121 -3.631 -3.769 346 HD1 PHE 13 HD1 PHE 13 8.373 -2.598 -0.469 347 HD2 PHE 13 HD2 PHE 13 9.018 -5.107 -3.839 348 HE1 PHE 13 HE1 PHE 13 10.079 -3.827 0.782 349 HE2 PHE 13 HE2 PHE 13 10.700 -6.383 -2.607 350 HZ PHE 13 HZ PHE 13 11.252 -5.742 -0.272 351 H ASN 14 H ASN 14 10.439 -1.242 -3.865 352 HA ASN 14 HA ASN 14 10.380 -1.871 -6.678 353 HB2 ASN 14 HB2 ASN 14 11.518 0.217 -5.725 354 HB3 ASN 14 HB3 ASN 14 12.780 -0.829 -5.192 355 HD21 ASN 14 HD21 ASN 14 13.729 0.947 -6.738 356 HD22 ASN 14 HD22 ASN 14 13.965 0.409 -8.363 357 H ARG 15 H ARG 15 9.976 -4.131 -5.999 358 HA ARG 15 HA ARG 15 11.454 -5.742 -4.470 359 HB2 ARG 15 HB2 ARG 15 9.965 -7.153 -5.237 360 HB3 ARG 15 HB3 ARG 15 9.691 -6.195 -6.688 361 HG2 ARG 15 HG2 ARG 15 11.644 -7.293 -7.734 362 HG3 ARG 15 HG3 ARG 15 11.789 -8.316 -6.302 363 HD2 ARG 15 HD2 ARG 15 10.585 -9.536 -7.994 364 HD3 ARG 15 HD3 ARG 15 9.462 -9.107 -6.703 365 HE ARG 15 HE ARG 15 8.290 -7.835 -8.195 366 HH11 ARG 15 HH11 ARG 15 11.449 -8.490 -9.560 367 HH12 ARG 15 HH12 ARG 15 11.063 -7.795 -11.097 368 HH21 ARG 15 HH21 ARG 15 7.790 -6.920 -10.222 369 HH22 ARG 15 HH22 ARG 15 8.987 -6.904 -11.474 370 H ILE 16 H ILE 16 12.822 -4.320 -7.412 371 HA ILE 16 HA ILE 16 14.848 -6.163 -7.817 372 HB ILE 16 HB ILE 16 14.561 -3.254 -8.306 373 HG12 ILE 16 HG12 ILE 16 13.656 -3.912 -10.205 374 HG13 ILE 16 HG13 ILE 16 15.056 -4.853 -10.583 375 HG21 ILE 16 HG21 ILE 16 16.819 -5.122 -8.805 376 HG22 ILE 16 HG22 ILE 16 16.819 -3.681 -7.777 377 HG23 ILE 16 HG23 ILE 16 16.696 -3.520 -9.547 378 HD11 ILE 16 HD11 ILE 16 13.218 -6.181 -8.774 379 HD12 ILE 16 HD12 ILE 16 13.993 -6.770 -10.240 380 HD13 ILE 16 HD13 ILE 16 12.525 -5.788 -10.353 381 H THR 17 H THR 17 14.534 -3.190 -6.115 382 HA THR 17 HA THR 17 16.898 -3.632 -4.591 383 HB THR 17 HB THR 17 17.043 -1.319 -4.323 384 HG1 THR 17 HG1 THR 17 14.723 -1.100 -3.901 385 HG21 THR 17 HG21 THR 17 17.087 -0.572 -6.577 386 HG22 THR 17 HG22 THR 17 15.907 -1.821 -7.058 387 HG23 THR 17 HG23 THR 17 17.530 -2.282 -6.524 388 H GLY 18 H GLY 18 14.118 -4.714 -4.378 389 HA2 GLY 18 HA2 GLY 18 12.371 -4.898 -2.916 390 HA3 GLY 18 HA3 GLY 18 13.628 -5.327 -1.809 391 H LYS 19 H LYS 19 13.399 -2.227 -3.249 392 HA LYS 19 HA LYS 19 13.409 -0.777 -0.858 393 HB2 LYS 19 HB2 LYS 19 13.303 -0.231 -3.711 394 HB3 LYS 19 HB3 LYS 19 12.627 1.006 -2.656 395 HG2 LYS 19 HG2 LYS 19 14.695 1.073 -1.429 396 HG3 LYS 19 HG3 LYS 19 15.384 -0.142 -2.540 397 HD2 LYS 19 HD2 LYS 19 16.127 1.673 -3.664 398 HD3 LYS 19 HD3 LYS 19 14.475 1.734 -4.283 399 HE2 LYS 19 HE2 LYS 19 14.603 3.869 -3.542 400 HE3 LYS 19 HE3 LYS 19 14.134 3.116 -2.018 401 HZ1 LYS 19 HZ1 LYS 19 16.475 3.017 -1.398 402 HZ2 LYS 19 HZ2 LYS 19 16.000 4.609 -1.716 403 HZ3 LYS 19 HZ3 LYS 19 16.912 3.757 -2.856 404 H ARG 20 H ARG 20 11.921 0.797 -0.183 405 HA ARG 20 HA ARG 20 9.205 0.523 -1.083 406 HB2 ARG 20 HB2 ARG 20 8.224 0.248 1.033 407 HB3 ARG 20 HB3 ARG 20 9.503 -0.987 0.840 408 HG2 ARG 20 HG2 ARG 20 10.993 0.688 2.118 409 HG3 ARG 20 HG3 ARG 20 9.465 1.424 2.606 410 HD2 ARG 20 HD2 ARG 20 9.063 -0.185 4.095 411 HD3 ARG 20 HD3 ARG 20 9.420 -1.455 2.925 412 HE ARG 20 HE ARG 20 11.869 -0.482 3.645 413 HH11 ARG 20 HH11 ARG 20 9.150 -1.824 5.398 414 HH12 ARG 20 HH12 ARG 20 10.132 -2.475 6.665 415 HH21 ARG 20 HH21 ARG 20 13.157 -1.344 5.317 416 HH22 ARG 20 HH22 ARG 20 12.407 -2.203 6.620 417 H GLN 21 H GLN 21 8.091 2.280 -1.118 418 HA GLN 21 HA GLN 21 8.777 4.563 0.491 419 HB2 GLN 21 HB2 GLN 21 8.600 5.553 -2.104 420 HB3 GLN 21 HB3 GLN 21 9.947 5.670 -1.018 421 HG2 GLN 21 HG2 GLN 21 10.587 3.379 -1.870 422 HG3 GLN 21 HG3 GLN 21 9.367 3.614 -3.080 423 HE21 GLN 21 HE21 GLN 21 9.602 5.756 -4.261 424 HE22 GLN 21 HE22 GLN 21 11.202 6.159 -4.725 425 H PHE 22 H PHE 22 6.973 5.994 0.632 426 HA PHE 22 HA PHE 22 4.487 4.878 -0.388 427 HB2 PHE 22 HB2 PHE 22 5.202 7.164 1.408 428 HB3 PHE 22 HB3 PHE 22 3.640 7.187 0.613 429 HD1 PHE 22 HD1 PHE 22 5.440 4.201 1.886 430 HD2 PHE 22 HD2 PHE 22 2.177 6.879 2.435 431 HE1 PHE 22 HE1 PHE 22 4.532 2.732 3.628 432 HE2 PHE 22 HE2 PHE 22 1.261 5.415 4.175 433 HZ PHE 22 HZ PHE 22 2.446 3.350 4.759 434 H GLU 23 H GLU 23 6.287 5.595 -2.394 435 HA GLU 23 HA GLU 23 4.953 7.710 -3.891 436 HB2 GLU 23 HB2 GLU 23 6.729 9.024 -3.548 437 HB3 GLU 23 HB3 GLU 23 7.591 7.716 -2.723 438 HG2 GLU 23 HG2 GLU 23 8.279 6.825 -4.931 439 HG3 GLU 23 HG3 GLU 23 7.506 8.217 -5.688 440 H ARG 24 H ARG 24 5.311 7.747 -6.034 441 HA ARG 24 HA ARG 24 6.223 5.248 -7.241 442 HB2 ARG 24 HB2 ARG 24 4.001 5.999 -7.897 443 HB3 ARG 24 HB3 ARG 24 4.659 7.549 -8.420 444 HG2 ARG 24 HG2 ARG 24 6.196 6.112 -9.867 445 HG3 ARG 24 HG3 ARG 24 4.975 4.848 -9.624 446 HD2 ARG 24 HD2 ARG 24 3.868 7.462 -10.324 447 HD3 ARG 24 HD3 ARG 24 4.936 6.819 -11.567 448 HE ARG 24 HE ARG 24 3.444 5.112 -11.971 449 HH11 ARG 24 HH11 ARG 24 2.338 7.062 -9.278 450 HH12 ARG 24 HH12 ARG 24 0.736 6.409 -9.307 451 HH21 ARG 24 HH21 ARG 24 1.331 4.257 -12.001 452 HH22 ARG 24 HH22 ARG 24 0.164 4.817 -10.851 453 HA PRO 25 HA PRO 25 10.067 7.446 -7.023 454 HB2 PRO 25 HB2 PRO 25 10.944 5.261 -8.630 455 HB3 PRO 25 HB3 PRO 25 11.509 5.825 -7.087 456 HG2 PRO 25 HG2 PRO 25 9.998 3.615 -7.356 457 HG3 PRO 25 HG3 PRO 25 10.005 4.568 -5.942 458 HD2 PRO 25 HD2 PRO 25 7.888 4.310 -7.909 459 HD3 PRO 25 HD3 PRO 25 7.865 4.844 -6.223 460 H SER 26 H SER 26 11.238 8.671 -8.083 461 HA SER 26 HA SER 26 10.485 10.060 -10.237 462 HB2 SER 26 HB2 SER 26 12.153 10.827 -8.731 463 HB3 SER 26 HB3 SER 26 13.226 9.527 -9.273 464 HG SER 26 HG SER 26 13.770 10.703 -10.941 465 H ASP 27 H ASP 27 12.412 7.339 -10.097 466 HA ASP 27 HA ASP 27 12.910 5.750 -11.641 467 HB2 ASP 27 HB2 ASP 27 11.195 5.540 -12.935 468 HB3 ASP 27 HB3 ASP 27 10.763 7.226 -12.673 Start of MODEL 24 1 H1 LYS 1 H1 LYS 1 5.322 5.235 -16.664 2 H2 LYS 1 H2 LYS 1 4.531 3.714 -16.669 3 H3 LYS 1 H3 LYS 1 6.242 3.791 -16.621 4 HA LYS 1 HA LYS 1 4.916 5.222 -14.525 5 HB2 LYS 1 HB2 LYS 1 4.459 2.318 -15.064 6 HB3 LYS 1 HB3 LYS 1 4.820 2.752 -13.407 7 HG2 LYS 1 HG2 LYS 1 2.436 2.549 -13.767 8 HG3 LYS 1 HG3 LYS 1 2.837 4.208 -13.347 9 HD2 LYS 1 HD2 LYS 1 2.163 4.995 -15.376 10 HD3 LYS 1 HD3 LYS 1 2.784 3.588 -16.240 11 HE2 LYS 1 HE2 LYS 1 0.359 3.735 -16.373 12 HE3 LYS 1 HE3 LYS 1 0.880 2.281 -15.527 13 HZ1 LYS 1 HZ1 LYS 1 0.270 3.202 -13.462 14 HZ2 LYS 1 HZ2 LYS 1 -1.022 3.537 -14.500 15 HZ3 LYS 1 HZ3 LYS 1 0.081 4.756 -14.106 16 H LEU 2 H LEU 2 6.019 4.513 -12.407 17 HA LEU 2 HA LEU 2 8.597 5.090 -12.373 18 HB2 LEU 2 HB2 LEU 2 8.693 4.409 -10.161 19 HB3 LEU 2 HB3 LEU 2 7.029 4.837 -10.456 20 HG LEU 2 HG LEU 2 8.193 2.116 -10.228 21 HD11 LEU 2 HD11 LEU 2 7.631 2.823 -8.095 22 HD12 LEU 2 HD12 LEU 2 6.150 2.024 -8.680 23 HD13 LEU 2 HD13 LEU 2 6.285 3.788 -8.711 24 HD21 LEU 2 HD21 LEU 2 6.690 2.343 -12.077 25 HD22 LEU 2 HD22 LEU 2 5.429 2.875 -10.910 26 HD23 LEU 2 HD23 LEU 2 6.106 1.252 -10.805 27 HA PRO 3 HA PRO 3 11.789 2.392 -13.486 28 HB2 PRO 3 HB2 PRO 3 12.367 2.040 -10.650 29 HB3 PRO 3 HB3 PRO 3 13.415 2.568 -11.957 30 HG2 PRO 3 HG2 PRO 3 12.362 4.295 -10.201 31 HG3 PRO 3 HG3 PRO 3 12.647 4.730 -11.884 32 HD2 PRO 3 HD2 PRO 3 10.110 4.174 -10.479 33 HD3 PRO 3 HD3 PRO 3 10.414 5.174 -11.878 34 HA PRO 4 HA PRO 4 11.177 -1.914 -13.366 35 HB2 PRO 4 HB2 PRO 4 14.024 -1.872 -12.776 36 HB3 PRO 4 HB3 PRO 4 13.140 -2.807 -13.942 37 HG2 PRO 4 HG2 PRO 4 14.369 -0.830 -14.890 38 HG3 PRO 4 HG3 PRO 4 12.646 -0.894 -15.215 39 HD2 PRO 4 HD2 PRO 4 13.984 0.587 -13.084 40 HD3 PRO 4 HD3 PRO 4 12.923 1.171 -14.335 41 H GLY 5 H GLY 5 10.979 -3.595 -12.096 42 HA2 GLY 5 HA2 GLY 5 10.949 -4.811 -10.142 43 HA3 GLY 5 HA3 GLY 5 12.100 -3.656 -9.513 44 H TRP 6 H TRP 6 10.180 -1.375 -10.189 45 HA TRP 6 HA TRP 6 8.883 -1.302 -7.678 46 HB2 TRP 6 HB2 TRP 6 9.037 0.486 -10.023 47 HB3 TRP 6 HB3 TRP 6 7.749 0.731 -8.916 48 HD1 TRP 6 HD1 TRP 6 10.769 2.052 -9.735 49 HE1 TRP 6 HE1 TRP 6 12.075 3.120 -7.813 50 HE3 TRP 6 HE3 TRP 6 8.044 0.312 -5.988 51 HZ2 TRP 6 HZ2 TRP 6 11.851 3.210 -4.966 52 HZ3 TRP 6 HZ3 TRP 6 8.570 0.920 -3.720 53 HH2 TRP 6 HH2 TRP 6 10.356 2.334 -3.209 54 H GLU 7 H GLU 7 6.704 -1.228 -7.275 55 HA GLU 7 HA GLU 7 4.789 -1.508 -9.344 56 HB2 GLU 7 HB2 GLU 7 3.811 -3.651 -8.469 57 HB3 GLU 7 HB3 GLU 7 5.280 -3.807 -9.416 58 HG2 GLU 7 HG2 GLU 7 6.582 -4.295 -7.517 59 HG3 GLU 7 HG3 GLU 7 5.322 -3.744 -6.414 60 H LYS 8 H LYS 8 3.563 -0.015 -8.651 61 HA LYS 8 HA LYS 8 3.186 0.919 -6.098 62 HB2 LYS 8 HB2 LYS 8 2.192 1.867 -8.366 63 HB3 LYS 8 HB3 LYS 8 0.857 0.741 -8.098 64 HG2 LYS 8 HG2 LYS 8 0.603 1.855 -5.794 65 HG3 LYS 8 HG3 LYS 8 1.615 3.135 -6.458 66 HD2 LYS 8 HD2 LYS 8 -0.490 3.920 -6.960 67 HD3 LYS 8 HD3 LYS 8 -0.083 3.055 -8.443 68 HE2 LYS 8 HE2 LYS 8 -1.216 1.107 -6.846 69 HE3 LYS 8 HE3 LYS 8 -2.181 2.540 -6.494 70 HZ1 LYS 8 HZ1 LYS 8 -2.529 2.814 -8.892 71 HZ2 LYS 8 HZ2 LYS 8 -3.127 1.334 -8.332 72 HZ3 LYS 8 HZ3 LYS 8 -1.666 1.387 -9.183 73 H ARG 9 H ARG 9 2.164 0.102 -4.303 74 HA ARG 9 HA ARG 9 0.204 -2.073 -4.620 75 HB2 ARG 9 HB2 ARG 9 2.702 -2.650 -3.869 76 HB3 ARG 9 HB3 ARG 9 2.071 -2.175 -2.300 77 HG2 ARG 9 HG2 ARG 9 1.336 -4.253 -2.080 78 HG3 ARG 9 HG3 ARG 9 0.138 -3.882 -3.320 79 HD2 ARG 9 HD2 ARG 9 1.504 -5.938 -3.768 80 HD3 ARG 9 HD3 ARG 9 1.569 -4.740 -5.043 81 HE ARG 9 HE ARG 9 3.752 -4.499 -4.660 82 HH11 ARG 9 HH11 ARG 9 2.382 -6.091 -1.843 83 HH12 ARG 9 HH12 ARG 9 3.915 -6.712 -1.332 84 HH21 ARG 9 HH21 ARG 9 5.589 -5.351 -4.074 85 HH22 ARG 9 HH22 ARG 9 5.801 -6.267 -2.619 86 H CYS 10 H CYS 10 -1.194 -2.376 -2.682 87 HA CYS 10 HA CYS 10 -1.188 -0.277 -0.703 88 HB2 CYS 10 HB2 CYS 10 -2.262 0.884 -2.600 89 HB3 CYS 10 HB3 CYS 10 -3.478 -0.381 -2.681 90 H PHE 11 H PHE 11 -1.659 -1.197 1.108 91 HA PHE 11 HA PHE 11 -3.708 -3.305 1.148 92 HB2 PHE 11 HB2 PHE 11 -2.617 -4.320 3.067 93 HB3 PHE 11 HB3 PHE 11 -1.417 -4.116 1.787 94 HD1 PHE 11 HD2 PHE 11 -2.664 -2.723 4.982 95 HD2 PHE 11 HD1 PHE 11 0.519 -2.812 2.153 96 HE1 PHE 11 HE2 PHE 11 -1.221 -1.520 6.570 97 HE2 PHE 11 HE1 PHE 11 1.964 -1.606 3.739 98 HZ PHE 11 HZ PHE 11 1.094 -0.959 5.949 99 H TYR 12 H TYR 12 -5.343 -3.109 2.668 100 HA TYR 12 HA TYR 12 -5.607 -0.500 3.920 101 HB2 TYR 12 HB2 TYR 12 -7.461 -2.793 3.384 102 HB3 TYR 12 HB3 TYR 12 -7.851 -1.711 4.721 103 HD1 TYR 12 HD1 TYR 12 -7.417 -1.939 1.070 104 HD2 TYR 12 HD2 TYR 12 -8.482 0.627 4.292 105 HE1 TYR 12 HE1 TYR 12 -8.265 -0.359 -0.512 106 HE2 TYR 12 HE2 TYR 12 -9.349 2.195 2.741 107 HH TYR 12 HH TYR 12 -9.123 1.736 -0.786 108 H PHE 13 H PHE 13 -5.427 -0.183 6.158 109 HA PHE 13 HA PHE 13 -4.793 -2.637 7.710 110 HB2 PHE 13 HB2 PHE 13 -2.931 -0.852 7.453 111 HB3 PHE 13 HB3 PHE 13 -3.906 0.114 8.568 112 HD1 PHE 13 HD2 PHE 13 -2.227 -3.133 8.171 113 HD2 PHE 13 HD1 PHE 13 -3.849 -0.336 10.922 114 HE1 PHE 13 HE2 PHE 13 -1.230 -4.379 10.017 115 HE2 PHE 13 HE1 PHE 13 -2.847 -1.538 12.784 116 HZ PHE 13 HZ PHE 13 -1.525 -3.588 12.343 117 H ASN 14 H ASN 14 -6.202 -3.177 9.106 118 HA ASN 14 HA ASN 14 -8.196 -1.224 9.840 119 HB2 ASN 14 HB2 ASN 14 -8.749 -3.595 8.975 120 HB3 ASN 14 HB3 ASN 14 -8.291 -4.152 10.531 121 HD21 ASN 14 HD21 ASN 14 -9.949 -1.157 9.945 122 HD22 ASN 14 HD22 ASN 14 -11.425 -1.598 10.713 123 H ARG 15 H ARG 15 -6.486 -0.207 11.208 124 HA ARG 15 HA ARG 15 -5.054 -1.330 13.180 125 HB2 ARG 15 HB2 ARG 15 -4.444 0.778 13.229 126 HB3 ARG 15 HB3 ARG 15 -6.017 1.360 12.693 127 HG2 ARG 15 HG2 ARG 15 -6.823 1.567 14.858 128 HG3 ARG 15 HG3 ARG 15 -5.591 0.494 15.524 129 HD2 ARG 15 HD2 ARG 15 -5.187 2.875 16.079 130 HD3 ARG 15 HD3 ARG 15 -3.873 2.156 15.151 131 HE ARG 15 HE ARG 15 -5.774 4.174 14.231 132 HH11 ARG 15 HH11 ARG 15 -3.025 2.118 13.507 133 HH12 ARG 15 HH12 ARG 15 -2.584 3.005 12.090 134 HH21 ARG 15 HH21 ARG 15 -5.179 5.334 12.363 135 HH22 ARG 15 HH22 ARG 15 -3.802 4.830 11.441 136 H ILE 16 H ILE 16 -8.558 -1.286 13.278 137 HA ILE 16 HA ILE 16 -8.895 -1.488 16.034 138 HB ILE 16 HB ILE 16 -10.415 -2.407 13.664 139 HG12 ILE 16 HG12 ILE 16 -11.228 -0.356 13.786 140 HG13 ILE 16 HG13 ILE 16 -11.853 -0.720 15.356 141 HG21 ILE 16 HG21 ILE 16 -10.904 -2.777 16.573 142 HG22 ILE 16 HG22 ILE 16 -10.669 -4.036 15.350 143 HG23 ILE 16 HG23 ILE 16 -12.142 -3.034 15.334 144 HD11 ILE 16 HD11 ILE 16 -10.294 0.516 16.416 145 HD12 ILE 16 HD12 ILE 16 -10.315 1.367 14.866 146 HD13 ILE 16 HD13 ILE 16 -9.056 0.176 15.207 147 H THR 17 H THR 17 -8.662 -3.676 13.388 148 HA THR 17 HA THR 17 -8.151 -5.949 15.021 149 HB THR 17 HB THR 17 -8.713 -7.249 13.167 150 HG1 THR 17 HG1 THR 17 -7.494 -6.036 11.615 151 HG21 THR 17 HG21 THR 17 -10.891 -6.479 12.688 152 HG22 THR 17 HG22 THR 17 -10.426 -4.791 13.021 153 HG23 THR 17 HG23 THR 17 -10.475 -5.978 14.332 154 H GLY 18 H GLY 18 -6.489 -3.526 14.042 155 HA2 GLY 18 HA2 GLY 18 -4.494 -3.088 13.003 156 HA3 GLY 18 HA3 GLY 18 -3.913 -4.100 14.284 157 H LYS 19 H LYS 19 -5.980 -5.092 11.660 158 HA LYS 19 HA LYS 19 -3.876 -6.854 10.697 159 HB2 LYS 19 HB2 LYS 19 -5.376 -8.473 10.364 160 HB3 LYS 19 HB3 LYS 19 -6.267 -7.582 11.623 161 HG2 LYS 19 HG2 LYS 19 -7.799 -6.818 10.164 162 HG3 LYS 19 HG3 LYS 19 -6.647 -6.772 8.821 163 HD2 LYS 19 HD2 LYS 19 -7.394 -9.436 9.893 164 HD3 LYS 19 HD3 LYS 19 -8.612 -8.573 8.952 165 HE2 LYS 19 HE2 LYS 19 -6.687 -8.231 7.248 166 HE3 LYS 19 HE3 LYS 19 -5.916 -9.563 8.106 167 HZ1 LYS 19 HZ1 LYS 19 -7.247 -10.244 6.147 168 HZ2 LYS 19 HZ2 LYS 19 -8.642 -9.707 6.939 169 HZ3 LYS 19 HZ3 LYS 19 -7.739 -10.983 7.587 170 H ARG 20 H ARG 20 -3.862 -7.333 8.404 171 HA ARG 20 HA ARG 20 -4.552 -4.931 6.888 172 HB2 ARG 20 HB2 ARG 20 -2.517 -5.025 5.690 173 HB3 ARG 20 HB3 ARG 20 -2.119 -5.324 7.402 174 HG2 ARG 20 HG2 ARG 20 -2.342 -7.832 6.700 175 HG3 ARG 20 HG3 ARG 20 -2.049 -7.189 5.083 176 HD2 ARG 20 HD2 ARG 20 0.107 -7.547 5.710 177 HD3 ARG 20 HD3 ARG 20 -0.098 -5.923 6.361 178 HE ARG 20 HE ARG 20 -0.589 -8.246 8.085 179 HH11 ARG 20 HH11 ARG 20 1.330 -5.406 7.334 180 HH12 ARG 20 HH12 ARG 20 2.139 -5.406 8.862 181 HH21 ARG 20 HH21 ARG 20 0.487 -8.233 10.089 182 HH22 ARG 20 HH22 ARG 20 1.664 -7.008 10.424 183 H GLN 21 H GLN 21 -5.142 -4.988 4.838 184 HA GLN 21 HA GLN 21 -5.808 -7.585 3.628 185 HB2 GLN 21 HB2 GLN 21 -7.391 -5.119 3.260 186 HB3 GLN 21 HB3 GLN 21 -7.900 -6.777 2.963 187 HG2 GLN 21 HG2 GLN 21 -7.416 -6.559 5.695 188 HG3 GLN 21 HG3 GLN 21 -8.144 -5.080 5.201 189 HE21 GLN 21 HE21 GLN 21 -10.098 -5.328 3.784 190 HE22 GLN 21 HE22 GLN 21 -11.200 -6.550 4.262 191 H PHE 22 H PHE 22 -6.009 -7.369 1.239 192 HA PHE 22 HA PHE 22 -4.385 -5.136 0.171 193 HB2 PHE 22 HB2 PHE 22 -4.906 -7.945 -0.802 194 HB3 PHE 22 HB3 PHE 22 -4.310 -6.700 -1.895 195 HD1 PHE 22 HD2 PHE 22 -2.180 -5.432 -1.097 196 HD2 PHE 22 HD1 PHE 22 -3.394 -9.205 0.405 197 HE1 PHE 22 HE2 PHE 22 0.105 -5.854 -0.340 198 HE2 PHE 22 HE1 PHE 22 -1.111 -9.642 1.171 199 HZ PHE 22 HZ PHE 22 0.624 -7.961 0.791 200 H GLU 23 H GLU 23 -7.070 -5.073 1.026 201 HA GLU 23 HA GLU 23 -8.597 -4.299 -1.328 202 HB2 GLU 23 HB2 GLU 23 -9.918 -6.082 -1.004 203 HB3 GLU 23 HB3 GLU 23 -9.012 -6.529 0.449 204 HG2 GLU 23 HG2 GLU 23 -10.377 -4.918 1.757 205 HG3 GLU 23 HG3 GLU 23 -11.319 -4.604 0.299 206 H ARG 24 H ARG 24 -10.274 -3.004 -1.007 207 HA ARG 24 HA ARG 24 -10.193 -1.292 1.356 208 HB2 ARG 24 HB2 ARG 24 -10.302 -0.156 -0.762 209 HB3 ARG 24 HB3 ARG 24 -11.668 -1.137 -1.271 210 HG2 ARG 24 HG2 ARG 24 -13.090 -0.113 0.254 211 HG3 ARG 24 HG3 ARG 24 -11.743 0.660 1.102 212 HD2 ARG 24 HD2 ARG 24 -11.361 1.566 -1.407 213 HD3 ARG 24 HD3 ARG 24 -13.120 1.455 -1.375 214 HE ARG 24 HE ARG 24 -11.484 3.368 -0.056 215 HH11 ARG 24 HH11 ARG 24 -14.511 1.630 0.234 216 HH12 ARG 24 HH12 ARG 24 -15.249 2.839 1.228 217 HH21 ARG 24 HH21 ARG 24 -12.466 4.955 1.255 218 HH22 ARG 24 HH22 ARG 24 -14.091 4.724 1.805 219 HA PRO 25 HA PRO 25 -12.850 -4.432 3.060 220 HB2 PRO 25 HB2 PRO 25 -13.012 -2.491 5.151 221 HB3 PRO 25 HB3 PRO 25 -12.533 -4.159 5.210 222 HG2 PRO 25 HG2 PRO 25 -10.769 -2.180 5.443 223 HG3 PRO 25 HG3 PRO 25 -10.381 -3.669 4.657 224 HD2 PRO 25 HD2 PRO 25 -10.883 -1.032 3.407 225 HD3 PRO 25 HD3 PRO 25 -9.846 -2.387 2.913 226 H SER 26 H SER 26 -14.892 -4.657 3.804 227 HA SER 26 HA SER 26 -16.965 -4.082 2.443 228 HB2 SER 26 HB2 SER 26 -17.163 -5.310 4.454 229 HB3 SER 26 HB3 SER 26 -16.932 -3.829 5.393 230 HG SER 26 HG SER 26 -18.973 -3.360 5.120 231 H ASP 27 H ASP 27 -15.768 -1.852 4.666 232 HA ASP 27 HA ASP 27 -15.857 0.399 4.797 233 HB2 ASP 27 HB2 ASP 27 -15.392 1.002 2.785 234 HB3 ASP 27 HB3 ASP 27 -16.287 -0.365 2.118 235 H1 LYS 1 H1 LYS 1 -17.516 5.408 2.792 236 H2 LYS 1 H2 LYS 1 -17.349 7.114 2.871 237 H3 LYS 1 H3 LYS 1 -17.654 6.211 4.299 238 HA LYS 1 HA LYS 1 -15.245 6.024 2.616 239 HB2 LYS 1 HB2 LYS 1 -14.133 7.287 4.312 240 HB3 LYS 1 HB3 LYS 1 -15.584 8.175 3.876 241 HG2 LYS 1 HG2 LYS 1 -16.190 8.219 6.001 242 HG3 LYS 1 HG3 LYS 1 -16.255 6.455 6.024 243 HD2 LYS 1 HD2 LYS 1 -13.913 6.342 6.625 244 HD3 LYS 1 HD3 LYS 1 -13.761 8.091 6.481 245 HE2 LYS 1 HE2 LYS 1 -13.934 7.466 8.798 246 HE3 LYS 1 HE3 LYS 1 -15.364 8.368 8.309 247 HZ1 LYS 1 HZ1 LYS 1 -15.516 6.129 9.676 248 HZ2 LYS 1 HZ2 LYS 1 -15.489 5.453 8.126 249 HZ3 LYS 1 HZ3 LYS 1 -16.696 6.563 8.543 250 H LEU 2 H LEU 2 -13.431 5.051 4.042 251 HA LEU 2 HA LEU 2 -13.823 2.399 4.519 252 HB2 LEU 2 HB2 LEU 2 -11.947 4.369 5.710 253 HB3 LEU 2 HB3 LEU 2 -11.933 2.689 6.162 254 HG LEU 2 HG LEU 2 -11.491 3.695 3.371 255 HD11 LEU 2 HD11 LEU 2 -9.837 3.435 5.711 256 HD12 LEU 2 HD12 LEU 2 -9.495 4.212 4.165 257 HD13 LEU 2 HD13 LEU 2 -9.217 2.469 4.368 258 HD21 LEU 2 HD21 LEU 2 -12.166 1.132 4.352 259 HD22 LEU 2 HD22 LEU 2 -10.455 1.107 3.937 260 HD23 LEU 2 HD23 LEU 2 -11.652 1.575 2.725 261 HA PRO 3 HA PRO 3 -15.821 1.717 8.425 262 HB2 PRO 3 HB2 PRO 3 -14.165 -0.612 8.689 263 HB3 PRO 3 HB3 PRO 3 -15.904 -0.504 8.449 264 HG2 PRO 3 HG2 PRO 3 -14.291 -1.393 6.514 265 HG3 PRO 3 HG3 PRO 3 -15.729 -0.453 6.174 266 HD2 PRO 3 HD2 PRO 3 -12.861 0.466 6.216 267 HD3 PRO 3 HD3 PRO 3 -14.155 0.780 5.058 268 HA PRO 4 HA PRO 4 -13.335 3.145 11.690 269 HB2 PRO 4 HB2 PRO 4 -14.366 0.747 12.982 270 HB3 PRO 4 HB3 PRO 4 -14.189 2.363 13.600 271 HG2 PRO 4 HG2 PRO 4 -16.518 1.783 12.834 272 HG3 PRO 4 HG3 PRO 4 -15.798 3.197 12.087 273 HD2 PRO 4 HD2 PRO 4 -15.912 0.486 11.020 274 HD3 PRO 4 HD3 PRO 4 -16.415 1.983 10.288 275 H GLY 5 H GLY 5 -11.439 3.024 12.465 276 HA2 GLY 5 HA2 GLY 5 -9.332 2.272 12.910 277 HA3 GLY 5 HA3 GLY 5 -10.008 0.665 12.853 278 H TRP 6 H TRP 6 -10.849 1.633 9.869 279 HA TRP 6 HA TRP 6 -8.552 0.368 8.703 280 HB2 TRP 6 HB2 TRP 6 -11.205 1.185 7.764 281 HB3 TRP 6 HB3 TRP 6 -9.989 1.003 6.546 282 HD1 TRP 6 HD1 TRP 6 -12.676 -0.653 7.740 283 HE1 TRP 6 HE1 TRP 6 -12.563 -3.176 7.675 284 HE3 TRP 6 HE3 TRP 6 -7.774 -1.097 6.991 285 HZ2 TRP 6 HZ2 TRP 6 -10.565 -5.126 7.252 286 HZ3 TRP 6 HZ3 TRP 6 -6.808 -3.306 6.750 287 HH2 TRP 6 HH2 TRP 6 -8.126 -5.244 6.850 288 H GLU 7 H GLU 7 -7.276 1.183 7.100 289 HA GLU 7 HA GLU 7 -7.534 3.900 6.222 290 HB2 GLU 7 HB2 GLU 7 -5.314 3.088 8.094 291 HB3 GLU 7 HB3 GLU 7 -5.015 4.301 6.860 292 HG2 GLU 7 HG2 GLU 7 -7.092 4.456 9.035 293 HG3 GLU 7 HG3 GLU 7 -5.564 5.330 8.982 294 H LYS 8 H LYS 8 -7.001 3.972 4.164 295 HA LYS 8 HA LYS 8 -5.830 1.650 2.923 296 HB2 LYS 8 HB2 LYS 8 -7.704 3.135 1.873 297 HB3 LYS 8 HB3 LYS 8 -6.456 4.364 1.630 298 HG2 LYS 8 HG2 LYS 8 -5.166 2.708 0.259 299 HG3 LYS 8 HG3 LYS 8 -6.559 1.629 0.369 300 HD2 LYS 8 HD2 LYS 8 -6.887 2.732 -1.656 301 HD3 LYS 8 HD3 LYS 8 -7.909 3.633 -0.534 302 HE2 LYS 8 HE2 LYS 8 -6.652 5.499 -0.683 303 HE3 LYS 8 HE3 LYS 8 -5.139 4.598 -0.763 304 HZ1 LYS 8 HZ1 LYS 8 -5.716 4.050 -3.098 305 HZ2 LYS 8 HZ2 LYS 8 -5.473 5.702 -2.832 306 HZ3 LYS 8 HZ3 LYS 8 -7.043 5.093 -2.986 307 H ARG 9 H ARG 9 -3.713 1.360 2.670 308 HA ARG 9 HA ARG 9 -1.928 3.708 2.567 309 HB2 ARG 9 HB2 ARG 9 -1.236 1.016 3.759 310 HB3 ARG 9 HB3 ARG 9 -0.242 2.466 3.776 311 HG2 ARG 9 HG2 ARG 9 -2.865 2.876 4.974 312 HG3 ARG 9 HG3 ARG 9 -1.917 1.628 5.783 313 HD2 ARG 9 HD2 ARG 9 -1.668 4.101 6.541 314 HD3 ARG 9 HD3 ARG 9 -0.228 3.122 6.360 315 HE ARG 9 HE ARG 9 0.410 4.419 4.654 316 HH11 ARG 9 HH11 ARG 9 -2.964 5.125 5.324 317 HH12 ARG 9 HH12 ARG 9 -2.898 6.658 4.523 318 HH21 ARG 9 HH21 ARG 9 0.489 6.317 3.760 319 HH22 ARG 9 HH22 ARG 9 -0.885 7.359 3.588 320 H CYS 10 H CYS 10 -1.307 3.896 0.491 321 HA CYS 10 HA CYS 10 -0.692 1.439 -0.998 322 HB2 CYS 10 HB2 CYS 10 -0.942 4.127 -2.295 323 HB3 CYS 10 HB3 CYS 10 -1.176 2.531 -2.993 324 H PHE 11 H PHE 11 1.362 0.916 -0.543 325 HA PHE 11 HA PHE 11 3.405 2.985 -0.927 326 HB2 PHE 11 HB2 PHE 11 4.933 1.660 0.385 327 HB3 PHE 11 HB3 PHE 11 3.402 1.721 1.260 328 HD1 PHE 11 HD1 PHE 11 5.509 -0.377 -0.951 329 HD2 PHE 11 HD2 PHE 11 2.275 -0.278 1.840 330 HE1 PHE 11 HE1 PHE 11 5.534 -2.844 -0.833 331 HE2 PHE 11 HE2 PHE 11 2.295 -2.745 1.950 332 HZ PHE 11 HZ PHE 11 3.923 -4.029 0.613 333 H TYR 12 H TYR 12 4.890 2.804 -2.526 334 HA TYR 12 HA TYR 12 4.521 0.837 -4.608 335 HB2 TYR 12 HB2 TYR 12 6.169 3.296 -4.237 336 HB3 TYR 12 HB3 TYR 12 6.833 2.069 -5.309 337 HD1 TYR 12 HD1 TYR 12 5.594 1.404 -7.354 338 HD2 TYR 12 HD2 TYR 12 4.190 4.578 -4.887 339 HE1 TYR 12 HE1 TYR 12 4.242 2.167 -9.155 340 HE2 TYR 12 HE2 TYR 12 2.773 5.371 -6.679 341 HH TYR 12 HH TYR 12 1.679 4.060 -8.908 342 H PHE 13 H PHE 13 5.966 -0.899 -5.032 343 HA PHE 13 HA PHE 13 8.112 -1.220 -3.001 344 HB2 PHE 13 HB2 PHE 13 6.123 -2.826 -2.759 345 HB3 PHE 13 HB3 PHE 13 6.703 -3.577 -4.251 346 HD1 PHE 13 HD1 PHE 13 7.664 -2.686 -0.810 347 HD2 PHE 13 HD2 PHE 13 8.573 -5.072 -4.207 348 HE1 PHE 13 HE1 PHE 13 9.256 -3.970 0.530 349 HE2 PHE 13 HE2 PHE 13 10.150 -6.400 -2.894 350 HZ PHE 13 HZ PHE 13 10.509 -5.851 -0.497 351 H ASN 14 H ASN 14 9.990 -1.156 -3.840 352 HA ASN 14 HA ASN 14 10.280 -1.598 -6.673 353 HB2 ASN 14 HB2 ASN 14 11.300 0.413 -5.526 354 HB3 ASN 14 HB3 ASN 14 12.414 -0.649 -4.769 355 HD21 ASN 14 HD21 ASN 14 11.223 -0.759 -8.033 356 HD22 ASN 14 HD22 ASN 14 12.747 -0.539 -8.802 357 H ARG 15 H ARG 15 9.803 -3.914 -6.197 358 HA ARG 15 HA ARG 15 11.116 -5.629 -4.627 359 HB2 ARG 15 HB2 ARG 15 9.683 -6.941 -5.647 360 HB3 ARG 15 HB3 ARG 15 9.632 -5.923 -7.082 361 HG2 ARG 15 HG2 ARG 15 11.023 -7.251 -8.234 362 HG3 ARG 15 HG3 ARG 15 12.040 -7.584 -6.834 363 HD2 ARG 15 HD2 ARG 15 9.318 -8.799 -7.293 364 HD3 ARG 15 HD3 ARG 15 10.843 -9.591 -7.692 365 HE ARG 15 HE ARG 15 9.649 -9.346 -5.104 366 HH11 ARG 15 HH11 ARG 15 12.717 -9.640 -6.772 367 HH12 ARG 15 HH12 ARG 15 13.531 -10.324 -5.407 368 HH21 ARG 15 HH21 ARG 15 10.730 -10.247 -3.311 369 HH22 ARG 15 HH22 ARG 15 12.405 -10.670 -3.443 370 H ILE 16 H ILE 16 12.781 -3.999 -7.285 371 HA ILE 16 HA ILE 16 14.856 -5.804 -7.609 372 HB ILE 16 HB ILE 16 14.590 -2.870 -7.918 373 HG12 ILE 16 HG12 ILE 16 13.825 -3.442 -9.910 374 HG13 ILE 16 HG13 ILE 16 15.322 -4.233 -10.253 375 HG21 ILE 16 HG21 ILE 16 16.908 -4.690 -8.328 376 HG22 ILE 16 HG22 ILE 16 16.789 -3.345 -7.183 377 HG23 ILE 16 HG23 ILE 16 16.843 -3.029 -8.936 378 HD11 ILE 16 HD11 ILE 16 14.437 -6.281 -10.064 379 HD12 ILE 16 HD12 ILE 16 12.938 -5.409 -10.414 380 HD13 ILE 16 HD13 ILE 16 13.366 -5.806 -8.746 381 H THR 17 H THR 17 14.344 -2.962 -5.733 382 HA THR 17 HA THR 17 16.533 -3.538 -4.006 383 HB THR 17 HB THR 17 16.677 -1.260 -3.561 384 HG1 THR 17 HG1 THR 17 14.321 -1.054 -3.347 385 HG21 THR 17 HG21 THR 17 15.798 -1.531 -6.422 386 HG22 THR 17 HG22 THR 17 17.360 -2.050 -5.774 387 HG23 THR 17 HG23 THR 17 16.929 -0.335 -5.737 388 H GLY 18 H GLY 18 13.748 -4.605 -4.171 389 HA2 GLY 18 HA2 GLY 18 11.847 -4.872 -2.924 390 HA3 GLY 18 HA3 GLY 18 12.977 -5.388 -1.719 391 H LYS 19 H LYS 19 12.897 -2.194 -2.968 392 HA LYS 19 HA LYS 19 12.631 -0.927 -0.478 393 HB2 LYS 19 HB2 LYS 19 12.926 -0.158 -3.267 394 HB3 LYS 19 HB3 LYS 19 12.134 1.010 -2.214 395 HG2 LYS 19 HG2 LYS 19 14.035 0.805 -0.686 396 HG3 LYS 19 HG3 LYS 19 14.852 -0.183 -1.925 397 HD2 LYS 19 HD2 LYS 19 15.521 1.669 -2.976 398 HD3 LYS 19 HD3 LYS 19 13.850 2.219 -3.120 399 HE2 LYS 19 HE2 LYS 19 14.561 3.935 -1.852 400 HE3 LYS 19 HE3 LYS 19 14.344 2.796 -0.524 401 HZ1 LYS 19 HZ1 LYS 19 16.876 3.426 -1.940 402 HZ2 LYS 19 HZ2 LYS 19 16.714 2.178 -0.810 403 HZ3 LYS 19 HZ3 LYS 19 16.488 3.785 -0.333 404 H ARG 20 H ARG 20 11.091 0.638 0.100 405 HA ARG 20 HA ARG 20 8.517 0.445 -1.173 406 HB2 ARG 20 HB2 ARG 20 7.285 0.116 0.820 407 HB3 ARG 20 HB3 ARG 20 8.536 -1.151 0.681 408 HG2 ARG 20 HG2 ARG 20 9.376 1.180 2.229 409 HG3 ARG 20 HG3 ARG 20 8.021 0.296 2.929 410 HD2 ARG 20 HD2 ARG 20 10.495 -1.109 1.973 411 HD3 ARG 20 HD3 ARG 20 10.397 -0.407 3.586 412 HE ARG 20 HE ARG 20 8.458 -2.418 2.648 413 HH11 ARG 20 HH11 ARG 20 10.761 -1.301 5.053 414 HH12 ARG 20 HH12 ARG 20 10.378 -2.564 6.171 415 HH21 ARG 20 HH21 ARG 20 7.972 -4.070 4.132 416 HH22 ARG 20 HH22 ARG 20 8.801 -4.133 5.651 417 H GLN 21 H GLN 21 7.408 2.201 -1.273 418 HA GLN 21 HA GLN 21 7.903 4.427 0.487 419 HB2 GLN 21 HB2 GLN 21 7.971 5.518 -2.067 420 HB3 GLN 21 HB3 GLN 21 9.212 5.586 -0.858 421 HG2 GLN 21 HG2 GLN 21 9.926 3.330 -1.742 422 HG3 GLN 21 HG3 GLN 21 8.824 3.622 -3.049 423 HE21 GLN 21 HE21 GLN 21 9.175 5.780 -4.144 424 HE22 GLN 21 HE22 GLN 21 10.810 6.203 -4.431 425 H PHE 22 H PHE 22 6.079 5.825 0.516 426 HA PHE 22 HA PHE 22 3.715 4.752 -0.789 427 HB2 PHE 22 HB2 PHE 22 4.195 7.141 0.995 428 HB3 PHE 22 HB3 PHE 22 2.616 6.767 0.318 429 HD1 PHE 22 HD2 PHE 22 1.792 4.288 0.770 430 HD2 PHE 22 HD1 PHE 22 4.716 6.321 3.099 431 HE1 PHE 22 HE2 PHE 22 1.356 2.762 2.636 432 HE2 PHE 22 HE1 PHE 22 4.288 4.799 4.973 433 HZ PHE 22 HZ PHE 22 2.608 3.029 4.728 434 H GLU 23 H GLU 23 5.688 5.559 -2.577 435 HA GLU 23 HA GLU 23 4.492 7.738 -4.097 436 HB2 GLU 23 HB2 GLU 23 6.235 9.029 -3.546 437 HB3 GLU 23 HB3 GLU 23 7.018 7.684 -2.701 438 HG2 GLU 23 HG2 GLU 23 7.897 6.877 -4.872 439 HG3 GLU 23 HG3 GLU 23 7.194 8.299 -5.641 440 H ARG 24 H ARG 24 5.039 7.859 -6.194 441 HA ARG 24 HA ARG 24 6.060 5.408 -7.412 442 HB2 ARG 24 HB2 ARG 24 3.898 6.198 -8.226 443 HB3 ARG 24 HB3 ARG 24 4.609 7.754 -8.642 444 HG2 ARG 24 HG2 ARG 24 6.204 6.480 -10.070 445 HG3 ARG 24 HG3 ARG 24 5.144 5.074 -9.849 446 HD2 ARG 24 HD2 ARG 24 3.404 6.054 -11.003 447 HD3 ARG 24 HD3 ARG 24 4.000 7.688 -10.714 448 HE ARG 24 HE ARG 24 4.716 5.897 -12.847 449 HH11 ARG 24 HH11 ARG 24 5.671 8.731 -11.023 450 HH12 ARG 24 HH12 ARG 24 6.687 9.355 -12.279 451 HH21 ARG 24 HH21 ARG 24 6.066 6.736 -14.509 452 HH22 ARG 24 HH22 ARG 24 6.911 8.224 -14.253 453 HA PRO 25 HA PRO 25 9.858 7.594 -6.770 454 HB2 PRO 25 HB2 PRO 25 10.888 5.487 -8.388 455 HB3 PRO 25 HB3 PRO 25 11.304 5.981 -6.776 456 HG2 PRO 25 HG2 PRO 25 9.833 3.783 -7.295 457 HG3 PRO 25 HG3 PRO 25 9.718 4.663 -5.836 458 HD2 PRO 25 HD2 PRO 25 7.771 4.504 -7.977 459 HD3 PRO 25 HD3 PRO 25 7.610 4.962 -6.276 460 H SER 26 H SER 26 11.090 8.881 -7.667 461 HA SER 26 HA SER 26 10.505 10.324 -9.852 462 HB2 SER 26 HB2 SER 26 11.947 11.112 -8.137 463 HB3 SER 26 HB3 SER 26 13.136 9.879 -8.585 464 HG SER 26 HG SER 26 13.796 11.114 -10.174 465 H ASP 27 H ASP 27 12.513 7.680 -9.548 466 HA ASP 27 HA ASP 27 13.251 6.155 -11.060 467 HB2 ASP 27 HB2 ASP 27 11.728 5.938 -12.576 468 HB3 ASP 27 HB3 ASP 27 11.205 7.598 -12.320 Start of MODEL 25 1 H1 LYS 1 H1 LYS 1 5.447 5.384 -16.606 2 H2 LYS 1 H2 LYS 1 4.701 4.293 -17.699 3 H3 LYS 1 H3 LYS 1 6.379 4.163 -17.365 4 HA LYS 1 HA LYS 1 4.265 3.846 -15.347 5 HB2 LYS 1 HB2 LYS 1 4.568 1.444 -15.607 6 HB3 LYS 1 HB3 LYS 1 4.054 2.161 -17.126 7 HG2 LYS 1 HG2 LYS 1 6.811 2.209 -17.289 8 HG3 LYS 1 HG3 LYS 1 6.459 0.676 -16.489 9 HD2 LYS 1 HD2 LYS 1 5.231 -0.125 -18.286 10 HD3 LYS 1 HD3 LYS 1 4.916 1.490 -18.917 11 HE2 LYS 1 HE2 LYS 1 6.479 0.359 -20.344 12 HE3 LYS 1 HE3 LYS 1 7.289 1.688 -19.521 13 HZ1 LYS 1 HZ1 LYS 1 7.427 -1.157 -18.673 14 HZ2 LYS 1 HZ2 LYS 1 8.285 0.136 -17.999 15 HZ3 LYS 1 HZ3 LYS 1 8.617 -0.365 -19.579 16 H LEU 2 H LEU 2 5.187 2.335 -13.585 17 HA LEU 2 HA LEU 2 7.164 3.542 -12.140 18 HB2 LEU 2 HB2 LEU 2 6.223 0.727 -12.264 19 HB3 LEU 2 HB3 LEU 2 7.480 1.238 -11.174 20 HG LEU 2 HG LEU 2 4.691 2.339 -11.182 21 HD11 LEU 2 HD11 LEU 2 4.198 0.472 -10.117 22 HD12 LEU 2 HD12 LEU 2 5.305 0.974 -8.821 23 HD13 LEU 2 HD13 LEU 2 5.883 -0.042 -10.147 24 HD21 LEU 2 HD21 LEU 2 7.111 3.298 -10.041 25 HD22 LEU 2 HD22 LEU 2 6.093 2.665 -8.747 26 HD23 LEU 2 HD23 LEU 2 5.471 3.921 -9.834 27 HA PRO 3 HA PRO 3 11.184 2.403 -13.647 28 HB2 PRO 3 HB2 PRO 3 12.043 2.405 -10.910 29 HB3 PRO 3 HB3 PRO 3 12.476 3.504 -12.213 30 HG2 PRO 3 HG2 PRO 3 10.933 4.300 -10.182 31 HG3 PRO 3 HG3 PRO 3 10.714 4.897 -11.812 32 HD2 PRO 3 HD2 PRO 3 9.120 2.796 -10.359 33 HD3 PRO 3 HD3 PRO 3 8.595 4.154 -11.357 34 HA PRO 4 HA PRO 4 11.815 -1.875 -13.234 35 HB2 PRO 4 HB2 PRO 4 14.497 -1.007 -12.502 36 HB3 PRO 4 HB3 PRO 4 13.985 -2.294 -13.553 37 HG2 PRO 4 HG2 PRO 4 14.670 -0.178 -14.740 38 HG3 PRO 4 HG3 PRO 4 13.057 -0.767 -15.095 39 HD2 PRO 4 HD2 PRO 4 13.813 1.314 -13.198 40 HD3 PRO 4 HD3 PRO 4 12.647 1.366 -14.490 41 H GLY 5 H GLY 5 11.680 -3.408 -11.884 42 HA2 GLY 5 HA2 GLY 5 11.565 -4.546 -9.911 43 HA3 GLY 5 HA3 GLY 5 12.710 -3.382 -9.299 44 H TRP 6 H TRP 6 10.317 -1.344 -10.188 45 HA TRP 6 HA TRP 6 9.304 -1.233 -7.503 46 HB2 TRP 6 HB2 TRP 6 9.212 0.505 -9.854 47 HB3 TRP 6 HB3 TRP 6 7.947 0.732 -8.694 48 HD1 TRP 6 HD1 TRP 6 10.801 2.226 -9.674 49 HE1 TRP 6 HE1 TRP 6 12.136 3.395 -7.877 50 HE3 TRP 6 HE3 TRP 6 8.587 0.167 -5.733 51 HZ2 TRP 6 HZ2 TRP 6 12.141 3.465 -5.064 52 HZ3 TRP 6 HZ3 TRP 6 9.277 0.825 -3.517 53 HH2 TRP 6 HH2 TRP 6 10.957 2.413 -3.172 54 H GLU 7 H GLU 7 7.231 -1.433 -6.849 55 HA GLU 7 HA GLU 7 5.138 -1.923 -8.773 56 HB2 GLU 7 HB2 GLU 7 5.262 -3.940 -6.562 57 HB3 GLU 7 HB3 GLU 7 4.534 -4.077 -8.154 58 HG2 GLU 7 HG2 GLU 7 6.349 -5.035 -9.006 59 HG3 GLU 7 HG3 GLU 7 7.421 -3.832 -8.298 60 H LYS 8 H LYS 8 3.391 -0.865 -8.162 61 HA LYS 8 HA LYS 8 3.337 0.421 -5.587 62 HB2 LYS 8 HB2 LYS 8 2.441 1.450 -7.821 63 HB3 LYS 8 HB3 LYS 8 1.086 0.323 -7.676 64 HG2 LYS 8 HG2 LYS 8 0.598 1.340 -5.414 65 HG3 LYS 8 HG3 LYS 8 1.774 2.592 -5.821 66 HD2 LYS 8 HD2 LYS 8 0.414 2.933 -7.957 67 HD3 LYS 8 HD3 LYS 8 -0.833 1.959 -7.177 68 HE2 LYS 8 HE2 LYS 8 -0.539 3.619 -5.205 69 HE3 LYS 8 HE3 LYS 8 0.217 4.657 -6.413 70 HZ1 LYS 8 HZ1 LYS 8 -2.521 3.519 -6.602 71 HZ2 LYS 8 HZ2 LYS 8 -1.796 4.553 -7.728 72 HZ3 LYS 8 HZ3 LYS 8 -2.150 5.113 -6.172 73 H ARG 9 H ARG 9 2.323 -0.319 -3.794 74 HA ARG 9 HA ARG 9 0.270 -2.412 -4.084 75 HB2 ARG 9 HB2 ARG 9 2.846 -2.645 -2.809 76 HB3 ARG 9 HB3 ARG 9 1.567 -2.868 -1.623 77 HG2 ARG 9 HG2 ARG 9 0.551 -4.519 -3.284 78 HG3 ARG 9 HG3 ARG 9 2.112 -4.459 -4.104 79 HD2 ARG 9 HD2 ARG 9 1.617 -5.283 -1.248 80 HD3 ARG 9 HD3 ARG 9 2.089 -6.329 -2.571 81 HE ARG 9 HE ARG 9 3.721 -4.448 -1.143 82 HH11 ARG 9 HH11 ARG 9 3.474 -6.716 -3.818 83 HH12 ARG 9 HH12 ARG 9 5.167 -7.074 -3.791 84 HH21 ARG 9 HH21 ARG 9 5.757 -4.959 -1.082 85 HH22 ARG 9 HH22 ARG 9 6.517 -6.037 -2.206 86 H CYS 10 H CYS 10 -1.543 -1.330 -3.554 87 HA CYS 10 HA CYS 10 -1.493 0.369 -1.150 88 HB2 CYS 10 HB2 CYS 10 -3.837 0.399 -2.987 89 HB3 CYS 10 HB3 CYS 10 -3.126 1.702 -2.049 90 H PHE 11 H PHE 11 -1.728 -1.165 0.434 91 HA PHE 11 HA PHE 11 -4.179 -2.771 0.359 92 HB2 PHE 11 HB2 PHE 11 -3.209 -4.189 2.073 93 HB3 PHE 11 HB3 PHE 11 -2.009 -3.961 0.800 94 HD1 PHE 11 HD2 PHE 11 -3.028 -2.956 4.189 95 HD2 PHE 11 HD1 PHE 11 0.084 -2.932 1.283 96 HE1 PHE 11 HE2 PHE 11 -1.429 -2.205 5.906 97 HE2 PHE 11 HE1 PHE 11 1.679 -2.171 2.995 98 HZ PHE 11 HZ PHE 11 0.925 -1.809 5.308 99 H TYR 12 H TYR 12 -5.772 -2.482 1.859 100 HA TYR 12 HA TYR 12 -5.780 -0.062 3.430 101 HB2 TYR 12 HB2 TYR 12 -7.748 -2.208 2.772 102 HB3 TYR 12 HB3 TYR 12 -7.978 -1.398 4.317 103 HD1 TYR 12 HD2 TYR 12 -8.376 1.056 4.371 104 HD2 TYR 12 HD1 TYR 12 -8.189 -1.039 0.687 105 HE1 TYR 12 HE2 TYR 12 -9.475 2.872 3.313 106 HE2 TYR 12 HE1 TYR 12 -9.260 0.806 -0.438 107 HH TYR 12 HH TYR 12 -9.679 3.172 -0.143 108 H PHE 13 H PHE 13 -5.550 0.022 5.710 109 HA PHE 13 HA PHE 13 -4.948 -2.594 6.986 110 HB2 PHE 13 HB2 PHE 13 -2.917 -1.056 6.640 111 HB3 PHE 13 HB3 PHE 13 -3.639 -0.031 7.885 112 HD1 PHE 13 HD1 PHE 13 -2.392 -3.417 7.192 113 HD2 PHE 13 HD2 PHE 13 -3.474 -0.628 10.193 114 HE1 PHE 13 HE1 PHE 13 -1.392 -4.860 8.883 115 HE2 PHE 13 HE2 PHE 13 -2.455 -2.027 11.907 116 HZ PHE 13 HZ PHE 13 -1.402 -4.173 11.259 117 H ASN 14 H ASN 14 -6.336 -3.070 8.432 118 HA ASN 14 HA ASN 14 -7.961 -0.979 9.568 119 HB2 ASN 14 HB2 ASN 14 -8.912 -3.152 8.608 120 HB3 ASN 14 HB3 ASN 14 -8.344 -3.926 10.040 121 HD21 ASN 14 HD21 ASN 14 -10.846 -4.262 9.833 122 HD22 ASN 14 HD22 ASN 14 -11.785 -3.168 10.784 123 H ARG 15 H ARG 15 -6.014 -0.247 10.739 124 HA ARG 15 HA ARG 15 -4.469 -1.596 12.457 125 HB2 ARG 15 HB2 ARG 15 -3.673 0.451 12.564 126 HB3 ARG 15 HB3 ARG 15 -5.237 1.189 12.228 127 HG2 ARG 15 HG2 ARG 15 -5.839 1.114 14.544 128 HG3 ARG 15 HG3 ARG 15 -4.383 0.196 14.935 129 HD2 ARG 15 HD2 ARG 15 -4.433 2.999 13.813 130 HD3 ARG 15 HD3 ARG 15 -4.165 2.589 15.508 131 HE ARG 15 HE ARG 15 -2.264 2.448 13.369 132 HH11 ARG 15 HH11 ARG 15 -3.116 1.089 16.484 133 HH12 ARG 15 HH12 ARG 15 -1.501 0.579 16.839 134 HH21 ARG 15 HH21 ARG 15 -0.141 1.773 13.844 135 HH22 ARG 15 HH22 ARG 15 0.189 0.968 15.341 136 H ILE 16 H ILE 16 -7.921 -1.181 13.068 137 HA ILE 16 HA ILE 16 -7.873 -1.511 15.818 138 HB ILE 16 HB ILE 16 -9.818 -2.164 13.680 139 HG12 ILE 16 HG12 ILE 16 -10.456 -0.074 13.989 140 HG13 ILE 16 HG13 ILE 16 -10.749 -0.395 15.662 141 HG21 ILE 16 HG21 ILE 16 -9.918 -2.572 16.624 142 HG22 ILE 16 HG22 ILE 16 -9.984 -3.814 15.365 143 HG23 ILE 16 HG23 ILE 16 -11.336 -2.673 15.571 144 HD11 ILE 16 HD11 ILE 16 -8.981 0.786 16.321 145 HD12 ILE 16 HD12 ILE 16 -9.101 1.507 14.711 146 HD13 ILE 16 HD13 ILE 16 -7.969 0.183 15.011 147 H THR 17 H THR 17 -8.243 -3.580 13.092 148 HA THR 17 HA THR 17 -7.708 -5.926 14.614 149 HB THR 17 HB THR 17 -8.923 -7.125 13.020 150 HG1 THR 17 HG1 THR 17 -7.935 -5.936 11.220 151 HG21 THR 17 HG21 THR 17 -10.224 -4.433 13.305 152 HG22 THR 17 HG22 THR 17 -10.136 -5.669 14.568 153 HG23 THR 17 HG23 THR 17 -11.023 -6.009 13.075 154 H GLY 18 H GLY 18 -5.942 -3.807 13.469 155 HA2 GLY 18 HA2 GLY 18 -4.160 -3.521 12.060 156 HA3 GLY 18 HA3 GLY 18 -3.539 -4.879 12.934 157 H LYS 19 H LYS 19 -6.335 -5.035 10.949 158 HA LYS 19 HA LYS 19 -5.417 -7.158 9.355 159 HB2 LYS 19 HB2 LYS 19 -7.831 -5.551 9.622 160 HB3 LYS 19 HB3 LYS 19 -7.557 -6.321 8.062 161 HG2 LYS 19 HG2 LYS 19 -7.292 -8.443 9.191 162 HG3 LYS 19 HG3 LYS 19 -7.693 -7.647 10.737 163 HD2 LYS 19 HD2 LYS 19 -9.747 -8.512 10.105 164 HD3 LYS 19 HD3 LYS 19 -9.826 -6.882 9.433 165 HE2 LYS 19 HE2 LYS 19 -10.001 -7.664 7.359 166 HE3 LYS 19 HE3 LYS 19 -8.607 -8.721 7.569 167 HZ1 LYS 19 HZ1 LYS 19 -11.451 -9.298 8.125 168 HZ2 LYS 19 HZ2 LYS 19 -10.217 -10.226 8.816 169 HZ3 LYS 19 HZ3 LYS 19 -10.376 -10.149 7.134 170 H ARG 20 H ARG 20 -5.368 -7.248 7.090 171 HA ARG 20 HA ARG 20 -4.970 -4.751 5.706 172 HB2 ARG 20 HB2 ARG 20 -2.942 -5.347 4.673 173 HB3 ARG 20 HB3 ARG 20 -2.774 -5.575 6.438 174 HG2 ARG 20 HG2 ARG 20 -3.257 -8.021 6.037 175 HG3 ARG 20 HG3 ARG 20 -3.044 -7.682 4.318 176 HD2 ARG 20 HD2 ARG 20 -0.976 -8.521 5.269 177 HD3 ARG 20 HD3 ARG 20 -0.786 -6.839 4.777 178 HE ARG 20 HE ARG 20 -1.450 -7.346 7.570 179 HH11 ARG 20 HH11 ARG 20 1.020 -6.547 5.213 180 HH12 ARG 20 HH12 ARG 20 2.117 -5.925 6.398 181 HH21 ARG 20 HH21 ARG 20 0.000 -6.526 9.119 182 HH22 ARG 20 HH22 ARG 20 1.540 -5.913 8.614 183 H GLN 21 H GLN 21 -5.667 -4.656 3.752 184 HA GLN 21 HA GLN 21 -6.110 -7.015 2.163 185 HB2 GLN 21 HB2 GLN 21 -8.499 -5.606 2.020 186 HB3 GLN 21 HB3 GLN 21 -8.269 -7.241 2.552 187 HG2 GLN 21 HG2 GLN 21 -7.736 -6.226 4.803 188 HG3 GLN 21 HG3 GLN 21 -8.320 -4.733 4.140 189 HE21 GLN 21 HE21 GLN 21 -10.542 -4.895 3.162 190 HE22 GLN 21 HE22 GLN 21 -11.677 -5.835 4.038 191 H PHE 22 H PHE 22 -6.210 -6.453 -0.067 192 HA PHE 22 HA PHE 22 -5.413 -3.719 -0.657 193 HB2 PHE 22 HB2 PHE 22 -5.914 -6.157 -2.368 194 HB3 PHE 22 HB3 PHE 22 -5.519 -4.591 -3.062 195 HD1 PHE 22 HD1 PHE 22 -3.338 -3.477 -2.058 196 HD2 PHE 22 HD2 PHE 22 -4.188 -7.632 -1.939 197 HE1 PHE 22 HE1 PHE 22 -0.959 -3.949 -1.767 198 HE2 PHE 22 HE2 PHE 22 -1.811 -8.114 -1.647 199 HZ PHE 22 HZ PHE 22 -0.212 -6.268 -1.562 200 H GLU 23 H GLU 23 -7.918 -3.904 0.537 201 HA GLU 23 HA GLU 23 -9.797 -2.905 -1.455 202 HB2 GLU 23 HB2 GLU 23 -10.968 -4.798 -1.249 203 HB3 GLU 23 HB3 GLU 23 -9.880 -5.380 0.021 204 HG2 GLU 23 HG2 GLU 23 -11.158 -4.057 1.678 205 HG3 GLU 23 HG3 GLU 23 -12.271 -3.590 0.394 206 H ARG 24 H ARG 24 -11.477 -1.747 -0.697 207 HA ARG 24 HA ARG 24 -11.145 -0.582 1.961 208 HB2 ARG 24 HB2 ARG 24 -11.283 1.008 0.127 209 HB3 ARG 24 HB3 ARG 24 -12.825 0.321 -0.383 210 HG2 ARG 24 HG2 ARG 24 -13.542 0.806 2.019 211 HG3 ARG 24 HG3 ARG 24 -12.170 1.930 2.034 212 HD2 ARG 24 HD2 ARG 24 -13.844 2.122 -0.354 213 HD3 ARG 24 HD3 ARG 24 -14.729 2.469 1.127 214 HE ARG 24 HE ARG 24 -13.452 4.360 1.455 215 HH11 ARG 24 HH11 ARG 24 -12.330 2.617 -1.370 216 HH12 ARG 24 HH12 ARG 24 -11.407 3.950 -1.974 217 HH21 ARG 24 HH21 ARG 24 -12.231 6.108 0.653 218 HH22 ARG 24 HH22 ARG 24 -11.349 5.930 -0.827 219 HA PRO 25 HA PRO 25 -13.692 -4.059 2.997 220 HB2 PRO 25 HB2 PRO 25 -13.792 -2.661 5.495 221 HB3 PRO 25 HB3 PRO 25 -13.289 -4.284 5.133 222 HG2 PRO 25 HG2 PRO 25 -11.530 -2.332 5.657 223 HG3 PRO 25 HG3 PRO 25 -11.165 -3.636 4.621 224 HD2 PRO 25 HD2 PRO 25 -11.635 -0.857 3.907 225 HD3 PRO 25 HD3 PRO 25 -10.756 -2.149 3.080 226 H SER 26 H SER 26 -15.630 -4.608 3.444 227 HA SER 26 HA SER 26 -17.757 -3.640 2.341 228 HB2 SER 26 HB2 SER 26 -17.796 -5.712 3.484 229 HB3 SER 26 HB3 SER 26 -17.713 -4.864 5.034 230 HG SER 26 HG SER 26 -19.865 -5.119 3.239 231 H ASP 27 H ASP 27 -16.737 -2.676 5.395 232 HA ASP 27 HA ASP 27 -17.064 -0.786 6.589 233 HB2 ASP 27 HB2 ASP 27 -16.828 0.784 5.135 234 HB3 ASP 27 HB3 ASP 27 -17.587 -0.198 3.883 235 H1 LYS 1 H1 LYS 1 -15.919 7.107 3.032 236 H2 LYS 1 H2 LYS 1 -16.167 6.502 4.619 237 H3 LYS 1 H3 LYS 1 -17.080 5.877 3.307 238 HA LYS 1 HA LYS 1 -15.288 4.802 2.396 239 HB2 LYS 1 HB2 LYS 1 -12.988 5.136 3.256 240 HB3 LYS 1 HB3 LYS 1 -13.680 6.596 2.568 241 HG2 LYS 1 HG2 LYS 1 -14.350 6.857 5.197 242 HG3 LYS 1 HG3 LYS 1 -12.791 6.034 5.294 243 HD2 LYS 1 HD2 LYS 1 -11.889 7.772 3.724 244 HD3 LYS 1 HD3 LYS 1 -13.413 8.634 3.910 245 HE2 LYS 1 HE2 LYS 1 -11.985 9.646 5.439 246 HE3 LYS 1 HE3 LYS 1 -12.963 8.550 6.411 247 HZ1 LYS 1 HZ1 LYS 1 -10.202 8.024 5.443 248 HZ2 LYS 1 HZ2 LYS 1 -11.140 6.949 6.352 249 HZ3 LYS 1 HZ3 LYS 1 -10.639 8.415 7.030 250 H LEU 2 H LEU 2 -13.852 3.034 3.392 251 HA LEU 2 HA LEU 2 -15.221 1.346 4.903 252 HB2 LEU 2 HB2 LEU 2 -13.346 0.030 5.101 253 HB3 LEU 2 HB3 LEU 2 -13.082 0.982 3.664 254 HG LEU 2 HG LEU 2 -11.801 1.258 6.318 255 HD11 LEU 2 HD11 LEU 2 -10.494 -0.112 4.978 256 HD12 LEU 2 HD12 LEU 2 -9.841 1.520 4.666 257 HD13 LEU 2 HD13 LEU 2 -10.967 0.769 3.523 258 HD21 LEU 2 HD21 LEU 2 -12.711 3.348 5.408 259 HD22 LEU 2 HD22 LEU 2 -11.495 3.154 4.089 260 HD23 LEU 2 HD23 LEU 2 -10.979 3.320 5.769 261 HA PRO 3 HA PRO 3 -15.645 1.631 9.227 262 HB2 PRO 3 HB2 PRO 3 -13.847 -0.650 9.445 263 HB3 PRO 3 HB3 PRO 3 -15.500 -0.455 10.015 264 HG2 PRO 3 HG2 PRO 3 -14.923 -1.902 7.852 265 HG3 PRO 3 HG3 PRO 3 -16.405 -0.961 7.972 266 HD2 PRO 3 HD2 PRO 3 -13.946 -0.425 6.407 267 HD3 PRO 3 HD3 PRO 3 -15.605 -0.023 6.054 268 HA PRO 4 HA PRO 4 -12.533 3.489 11.669 269 HB2 PRO 4 HB2 PRO 4 -13.431 1.497 13.588 270 HB3 PRO 4 HB3 PRO 4 -13.195 3.206 13.784 271 HG2 PRO 4 HG2 PRO 4 -15.592 2.501 13.516 272 HG3 PRO 4 HG3 PRO 4 -15.008 3.695 12.369 273 HD2 PRO 4 HD2 PRO 4 -15.165 0.806 11.975 274 HD3 PRO 4 HD3 PRO 4 -15.893 2.082 11.042 275 H GLY 5 H GLY 5 -10.574 3.235 12.498 276 HA2 GLY 5 HA2 GLY 5 -8.565 2.195 12.948 277 HA3 GLY 5 HA3 GLY 5 -9.416 0.678 12.780 278 H TRP 6 H TRP 6 -10.423 1.403 10.060 279 HA TRP 6 HA TRP 6 -8.276 0.351 8.553 280 HB2 TRP 6 HB2 TRP 6 -11.020 1.258 7.992 281 HB3 TRP 6 HB3 TRP 6 -9.936 1.141 6.668 282 HD1 TRP 6 HD1 TRP 6 -12.532 -0.537 8.052 283 HE1 TRP 6 HE1 TRP 6 -12.478 -3.082 7.788 284 HE3 TRP 6 HE3 TRP 6 -7.830 -0.960 6.536 285 HZ2 TRP 6 HZ2 TRP 6 -10.553 -5.024 6.950 286 HZ3 TRP 6 HZ3 TRP 6 -6.926 -3.134 5.987 287 HH2 TRP 6 HH2 TRP 6 -8.215 -5.085 6.134 288 H GLU 7 H GLU 7 -6.979 1.366 7.097 289 HA GLU 7 HA GLU 7 -7.523 4.092 6.352 290 HB2 GLU 7 HB2 GLU 7 -4.931 3.420 7.749 291 HB3 GLU 7 HB3 GLU 7 -5.294 4.926 6.925 292 HG2 GLU 7 HG2 GLU 7 -7.038 4.014 9.171 293 HG3 GLU 7 HG3 GLU 7 -5.482 4.764 9.514 294 H LYS 8 H LYS 8 -7.509 3.820 4.288 295 HA LYS 8 HA LYS 8 -6.189 1.874 2.825 296 HB2 LYS 8 HB2 LYS 8 -7.986 3.645 1.981 297 HB3 LYS 8 HB3 LYS 8 -6.602 4.710 1.729 298 HG2 LYS 8 HG2 LYS 8 -5.600 2.850 0.296 299 HG3 LYS 8 HG3 LYS 8 -7.203 2.121 0.329 300 HD2 LYS 8 HD2 LYS 8 -8.122 4.270 -0.548 301 HD3 LYS 8 HD3 LYS 8 -6.465 4.850 -0.717 302 HE2 LYS 8 HE2 LYS 8 -6.658 4.019 -2.801 303 HE3 LYS 8 HE3 LYS 8 -6.283 2.489 -2.010 304 HZ1 LYS 8 HZ1 LYS 8 -9.072 3.422 -2.319 305 HZ2 LYS 8 HZ2 LYS 8 -8.510 1.853 -2.030 306 HZ3 LYS 8 HZ3 LYS 8 -8.288 2.563 -3.548 307 H ARG 9 H ARG 9 -4.005 1.589 2.480 308 HA ARG 9 HA ARG 9 -2.267 3.951 2.337 309 HB2 ARG 9 HB2 ARG 9 -0.549 2.806 3.722 310 HB3 ARG 9 HB3 ARG 9 -2.006 3.224 4.611 311 HG2 ARG 9 HG2 ARG 9 -2.758 0.832 4.201 312 HG3 ARG 9 HG3 ARG 9 -1.099 0.516 3.689 313 HD2 ARG 9 HD2 ARG 9 -1.475 -0.026 6.069 314 HD3 ARG 9 HD3 ARG 9 -0.279 1.236 5.865 315 HE ARG 9 HE ARG 9 -2.960 1.511 6.889 316 HH11 ARG 9 HH11 ARG 9 0.098 3.048 6.087 317 HH12 ARG 9 HH12 ARG 9 -0.101 4.280 7.285 318 HH21 ARG 9 HH21 ARG 9 -3.133 2.971 8.395 319 HH22 ARG 9 HH22 ARG 9 -1.997 4.256 8.628 320 H CYS 10 H CYS 10 -0.434 3.753 1.034 321 HA CYS 10 HA CYS 10 -0.042 1.186 -0.333 322 HB2 CYS 10 HB2 CYS 10 -1.607 2.487 -1.734 323 HB3 CYS 10 HB3 CYS 10 -0.463 3.815 -1.782 324 H PHE 11 H PHE 11 2.005 0.654 -0.423 325 HA PHE 11 HA PHE 11 4.002 2.805 -0.487 326 HB2 PHE 11 HB2 PHE 11 5.561 1.466 0.775 327 HB3 PHE 11 HB3 PHE 11 4.037 1.495 1.663 328 HD1 PHE 11 HD2 PHE 11 6.104 -0.563 -0.653 329 HD2 PHE 11 HD1 PHE 11 2.989 -0.519 2.276 330 HE1 PHE 11 HE2 PHE 11 6.156 -3.026 -0.559 331 HE2 PHE 11 HE1 PHE 11 3.044 -2.985 2.367 332 HZ PHE 11 HZ PHE 11 4.626 -4.239 0.950 333 H TYR 12 H TYR 12 5.595 2.657 -2.034 334 HA TYR 12 HA TYR 12 5.176 0.704 -4.136 335 HB2 TYR 12 HB2 TYR 12 6.768 3.225 -3.862 336 HB3 TYR 12 HB3 TYR 12 7.323 2.035 -5.039 337 HD1 TYR 12 HD1 TYR 12 4.615 4.370 -4.160 338 HD2 TYR 12 HD2 TYR 12 5.919 1.470 -7.011 339 HE1 TYR 12 HE1 TYR 12 2.892 5.114 -5.660 340 HE2 TYR 12 HE2 TYR 12 4.234 2.200 -8.513 341 HH TYR 12 HH TYR 12 1.819 4.673 -7.638 342 H PHE 13 H PHE 13 6.556 -1.044 -4.521 343 HA PHE 13 HA PHE 13 8.823 -1.281 -2.617 344 HB2 PHE 13 HB2 PHE 13 6.902 -3.005 -2.437 345 HB3 PHE 13 HB3 PHE 13 7.541 -3.663 -3.948 346 HD1 PHE 13 HD1 PHE 13 8.458 -2.788 -0.489 347 HD2 PHE 13 HD2 PHE 13 9.469 -5.094 -3.924 348 HE1 PHE 13 HE1 PHE 13 10.129 -3.999 0.825 349 HE2 PHE 13 HE2 PHE 13 11.120 -6.349 -2.636 350 HZ PHE 13 HZ PHE 13 11.470 -5.803 -0.234 351 H ASN 14 H ASN 14 10.692 -1.162 -3.461 352 HA ASN 14 HA ASN 14 10.912 -1.459 -6.323 353 HB2 ASN 14 HB2 ASN 14 11.838 0.558 -5.001 354 HB3 ASN 14 HB3 ASN 14 13.102 -0.489 -4.506 355 HD21 ASN 14 HD21 ASN 14 11.632 -0.568 -7.650 356 HD22 ASN 14 HD22 ASN 14 13.016 -0.037 -8.525 357 H ARG 15 H ARG 15 10.639 -3.826 -5.940 358 HA ARG 15 HA ARG 15 12.124 -5.454 -4.415 359 HB2 ARG 15 HB2 ARG 15 10.756 -6.842 -5.425 360 HB3 ARG 15 HB3 ARG 15 10.627 -5.830 -6.860 361 HG2 ARG 15 HG2 ARG 15 12.357 -6.907 -7.944 362 HG3 ARG 15 HG3 ARG 15 13.051 -7.523 -6.444 363 HD2 ARG 15 HD2 ARG 15 10.355 -8.401 -7.450 364 HD3 ARG 15 HD3 ARG 15 11.847 -9.208 -7.932 365 HE ARG 15 HE ARG 15 10.503 -9.412 -5.407 366 HH11 ARG 15 HH11 ARG 15 13.621 -9.669 -6.985 367 HH12 ARG 15 HH12 ARG 15 14.278 -10.727 -5.783 368 HH21 ARG 15 HH21 ARG 15 11.377 -10.804 -3.829 369 HH22 ARG 15 HH22 ARG 15 13.005 -11.372 -3.992 370 H ILE 16 H ILE 16 13.568 -3.574 -7.007 371 HA ILE 16 HA ILE 16 15.811 -5.154 -7.459 372 HB ILE 16 HB ILE 16 15.220 -2.258 -7.643 373 HG12 ILE 16 HG12 ILE 16 14.473 -2.853 -9.635 374 HG13 ILE 16 HG13 ILE 16 16.056 -3.414 -10.043 375 HG21 ILE 16 HG21 ILE 16 17.464 -2.488 -6.951 376 HG22 ILE 16 HG22 ILE 16 17.465 -2.130 -8.697 377 HG23 ILE 16 HG23 ILE 16 17.725 -3.786 -8.122 378 HD11 ILE 16 HD11 ILE 16 15.477 -5.583 -9.889 379 HD12 ILE 16 HD12 ILE 16 13.883 -4.908 -10.249 380 HD13 ILE 16 HD13 ILE 16 14.329 -5.289 -8.584 381 H THR 17 H THR 17 15.038 -2.450 -5.476 382 HA THR 17 HA THR 17 17.307 -2.759 -3.787 383 HB THR 17 HB THR 17 16.928 -0.566 -3.088 384 HG1 THR 17 HG1 THR 17 14.635 -0.774 -2.812 385 HG21 THR 17 HG21 THR 17 16.996 0.607 -5.135 386 HG22 THR 17 HG22 THR 17 16.102 -0.689 -5.969 387 HG23 THR 17 HG23 THR 17 17.743 -0.976 -5.375 388 H GLY 18 H GLY 18 14.571 -4.180 -4.074 389 HA2 GLY 18 HA2 GLY 18 12.786 -4.799 -2.775 390 HA3 GLY 18 HA3 GLY 18 14.059 -5.508 -1.836 391 H LYS 19 H LYS 19 13.537 -2.101 -2.343 392 HA LYS 19 HA LYS 19 13.014 -1.777 0.499 393 HB2 LYS 19 HB2 LYS 19 14.276 0.064 0.525 394 HB3 LYS 19 HB3 LYS 19 15.032 -0.720 -0.885 395 HG2 LYS 19 HG2 LYS 19 14.134 0.751 -2.330 396 HG3 LYS 19 HG3 LYS 19 12.689 1.001 -1.340 397 HD2 LYS 19 HD2 LYS 19 15.355 1.994 -0.405 398 HD3 LYS 19 HD3 LYS 19 14.422 2.930 -1.575 399 HE2 LYS 19 HE2 LYS 19 12.485 2.767 0.049 400 HE3 LYS 19 HE3 LYS 19 13.644 2.149 1.225 401 HZ1 LYS 19 HZ1 LYS 19 13.455 4.463 1.578 402 HZ2 LYS 19 HZ2 LYS 19 13.628 4.818 -0.066 403 HZ3 LYS 19 HZ3 LYS 19 14.947 4.230 0.814 404 H ARG 20 H ARG 20 11.620 0.009 1.120 405 HA ARG 20 HA ARG 20 9.419 0.244 -0.789 406 HB2 ARG 20 HB2 ARG 20 7.816 -0.050 0.925 407 HB3 ARG 20 HB3 ARG 20 9.083 -1.277 1.188 408 HG2 ARG 20 HG2 ARG 20 9.238 1.329 2.634 409 HG3 ARG 20 HG3 ARG 20 8.119 0.084 3.190 410 HD2 ARG 20 HD2 ARG 20 10.759 -0.981 2.608 411 HD3 ARG 20 HD3 ARG 20 10.806 0.292 3.826 412 HE ARG 20 HE ARG 20 8.753 -1.622 4.349 413 HH11 ARG 20 HH11 ARG 20 12.194 -1.049 4.655 414 HH12 ARG 20 HH12 ARG 20 12.378 -2.124 5.999 415 HH21 ARG 20 HH21 ARG 20 9.003 -3.040 6.119 416 HH22 ARG 20 HH22 ARG 20 10.567 -3.255 6.830 417 H GLN 21 H GLN 21 8.168 1.977 -0.910 418 HA GLN 21 HA GLN 21 9.013 4.431 0.476 419 HB2 GLN 21 HB2 GLN 21 7.964 4.343 -2.286 420 HB3 GLN 21 HB3 GLN 21 8.858 5.650 -1.518 421 HG2 GLN 21 HG2 GLN 21 10.552 3.430 -1.641 422 HG3 GLN 21 HG3 GLN 21 9.674 3.493 -3.121 423 HE21 GLN 21 HE21 GLN 21 9.571 5.689 -4.150 424 HE22 GLN 21 HE22 GLN 21 11.040 6.571 -4.142 425 H PHE 22 H PHE 22 7.221 6.052 0.466 426 HA PHE 22 HA PHE 22 4.554 4.770 0.321 427 HB2 PHE 22 HB2 PHE 22 5.627 7.077 1.946 428 HB3 PHE 22 HB3 PHE 22 3.896 6.849 1.711 429 HD1 PHE 22 HD1 PHE 22 2.977 4.482 2.318 430 HD2 PHE 22 HD2 PHE 22 6.677 6.033 3.727 431 HE1 PHE 22 HE1 PHE 22 2.932 2.875 4.170 432 HE2 PHE 22 HE2 PHE 22 6.645 4.434 5.591 433 HZ PHE 22 HZ PHE 22 4.770 2.864 5.797 434 H GLU 23 H GLU 23 6.168 5.689 -1.802 435 HA GLU 23 HA GLU 23 4.580 7.739 -3.128 436 HB2 GLU 23 HB2 GLU 23 6.297 9.165 -2.918 437 HB3 GLU 23 HB3 GLU 23 7.271 7.918 -2.125 438 HG2 GLU 23 HG2 GLU 23 7.912 7.043 -4.363 439 HG3 GLU 23 HG3 GLU 23 7.020 8.383 -5.085 440 H ARG 24 H ARG 24 4.769 7.850 -5.283 441 HA ARG 24 HA ARG 24 5.587 5.399 -6.630 442 HB2 ARG 24 HB2 ARG 24 3.460 6.270 -7.295 443 HB3 ARG 24 HB3 ARG 24 4.139 7.866 -7.596 444 HG2 ARG 24 HG2 ARG 24 5.676 6.643 -9.216 445 HG3 ARG 24 HG3 ARG 24 4.481 5.345 -9.109 446 HD2 ARG 24 HD2 ARG 24 3.040 7.718 -9.467 447 HD3 ARG 24 HD3 ARG 24 4.387 7.805 -10.597 448 HE ARG 24 HE ARG 24 3.557 5.985 -11.750 449 HH11 ARG 24 HH11 ARG 24 1.548 6.692 -8.966 450 HH12 ARG 24 HH12 ARG 24 0.238 5.700 -9.508 451 HH21 ARG 24 HH21 ARG 24 1.822 4.682 -12.456 452 HH22 ARG 24 HH22 ARG 24 0.392 4.560 -11.486 453 HA PRO 25 HA PRO 25 9.613 7.268 -6.610 454 HB2 PRO 25 HB2 PRO 25 10.108 5.041 -8.336 455 HB3 PRO 25 HB3 PRO 25 10.906 5.515 -6.867 456 HG2 PRO 25 HG2 PRO 25 9.272 3.421 -6.965 457 HG3 PRO 25 HG3 PRO 25 9.379 4.433 -5.569 458 HD2 PRO 25 HD2 PRO 25 7.189 4.302 -7.556 459 HD3 PRO 25 HD3 PRO 25 7.183 4.694 -5.823 460 H SER 26 H SER 26 11.111 8.015 -8.034 461 HA SER 26 HA SER 26 10.635 9.854 -9.732 462 HB2 SER 26 HB2 SER 26 12.857 9.157 -9.312 463 HB3 SER 26 HB3 SER 26 12.596 7.706 -10.289 464 HG SER 26 HG SER 26 13.080 10.335 -11.073 465 H ASP 27 H ASP 27 10.478 6.627 -10.679 466 HA ASP 27 HA ASP 27 9.319 5.542 -12.283 467 HB2 ASP 27 HB2 ASP 27 7.351 6.390 -12.093 468 HB3 ASP 27 HB3 ASP 27 8.017 7.984 -11.734 Start of MODEL 26 1 H1 LYS 1 H1 LYS 1 6.643 6.753 -16.317 2 H2 LYS 1 H2 LYS 1 5.629 6.045 -17.507 3 H3 LYS 1 H3 LYS 1 7.239 5.484 -17.303 4 HA LYS 1 HA LYS 1 5.077 5.301 -15.312 5 HB2 LYS 1 HB2 LYS 1 4.937 2.985 -15.888 6 HB3 LYS 1 HB3 LYS 1 4.828 3.900 -17.384 7 HG2 LYS 1 HG2 LYS 1 6.481 2.693 -18.219 8 HG3 LYS 1 HG3 LYS 1 7.560 3.326 -16.975 9 HD2 LYS 1 HD2 LYS 1 7.748 1.111 -16.490 10 HD3 LYS 1 HD3 LYS 1 6.316 1.464 -15.524 11 HE2 LYS 1 HE2 LYS 1 6.300 0.386 -18.334 12 HE3 LYS 1 HE3 LYS 1 6.097 -0.579 -16.876 13 HZ1 LYS 1 HZ1 LYS 1 4.268 1.472 -17.974 14 HZ2 LYS 1 HZ2 LYS 1 4.145 0.926 -16.377 15 HZ3 LYS 1 HZ3 LYS 1 3.945 -0.159 -17.659 16 H LEU 2 H LEU 2 5.702 3.475 -13.722 17 HA LEU 2 HA LEU 2 7.714 4.223 -12.058 18 HB2 LEU 2 HB2 LEU 2 6.476 1.583 -12.610 19 HB3 LEU 2 HB3 LEU 2 7.728 1.776 -11.417 20 HG LEU 2 HG LEU 2 5.079 3.186 -11.368 21 HD11 LEU 2 HD11 LEU 2 4.352 1.273 -10.558 22 HD12 LEU 2 HD12 LEU 2 5.444 1.495 -9.174 23 HD13 LEU 2 HD13 LEU 2 5.974 0.588 -10.597 24 HD21 LEU 2 HD21 LEU 2 6.048 4.558 -9.898 25 HD22 LEU 2 HD22 LEU 2 7.554 3.632 -9.951 26 HD23 LEU 2 HD23 LEU 2 6.265 3.143 -8.852 27 HA PRO 3 HA PRO 3 11.676 2.847 -13.526 28 HB2 PRO 3 HB2 PRO 3 12.417 2.523 -10.782 29 HB3 PRO 3 HB3 PRO 3 12.961 3.729 -11.942 30 HG2 PRO 3 HG2 PRO 3 11.390 4.392 -9.872 31 HG3 PRO 3 HG3 PRO 3 11.282 5.183 -11.433 32 HD2 PRO 3 HD2 PRO 3 9.515 3.022 -10.318 33 HD3 PRO 3 HD3 PRO 3 9.105 4.535 -11.120 34 HA PRO 4 HA PRO 4 11.931 -1.490 -13.484 35 HB2 PRO 4 HB2 PRO 4 14.615 -0.934 -12.498 36 HB3 PRO 4 HB3 PRO 4 14.077 -2.071 -13.698 37 HG2 PRO 4 HG2 PRO 4 15.017 0.074 -14.630 38 HG3 PRO 4 HG3 PRO 4 13.391 -0.335 -15.144 39 HD2 PRO 4 HD2 PRO 4 14.176 1.493 -13.013 40 HD3 PRO 4 HD3 PRO 4 13.112 1.761 -14.365 41 H GLY 5 H GLY 5 11.575 -3.129 -12.314 42 HA2 GLY 5 HA2 GLY 5 11.222 -4.444 -10.484 43 HA3 GLY 5 HA3 GLY 5 12.403 -3.451 -9.677 44 H TRP 6 H TRP 6 10.332 -1.103 -10.460 45 HA TRP 6 HA TRP 6 9.093 -1.163 -7.877 46 HB2 TRP 6 HB2 TRP 6 9.336 0.779 -10.059 47 HB3 TRP 6 HB3 TRP 6 8.003 1.009 -8.979 48 HD1 TRP 6 HD1 TRP 6 11.140 2.247 -9.601 49 HE1 TRP 6 HE1 TRP 6 12.298 3.242 -7.552 50 HE3 TRP 6 HE3 TRP 6 8.248 0.217 -6.099 51 HZ2 TRP 6 HZ2 TRP 6 11.927 3.153 -4.711 52 HZ3 TRP 6 HZ3 TRP 6 8.686 0.673 -3.768 53 HH2 TRP 6 HH2 TRP 6 10.414 2.080 -3.094 54 H GLU 7 H GLU 7 6.971 -1.301 -7.400 55 HA GLU 7 HA GLU 7 4.985 -1.346 -9.482 56 HB2 GLU 7 HB2 GLU 7 4.837 -3.662 -7.579 57 HB3 GLU 7 HB3 GLU 7 4.154 -3.505 -9.188 58 HG2 GLU 7 HG2 GLU 7 5.922 -4.463 -10.144 59 HG3 GLU 7 HG3 GLU 7 7.064 -3.509 -9.204 60 H LYS 8 H LYS 8 3.340 -0.186 -8.797 61 HA LYS 8 HA LYS 8 3.268 0.762 -6.106 62 HB2 LYS 8 HB2 LYS 8 2.477 2.066 -8.232 63 HB3 LYS 8 HB3 LYS 8 1.047 1.024 -8.211 64 HG2 LYS 8 HG2 LYS 8 1.361 2.122 -5.597 65 HG3 LYS 8 HG3 LYS 8 1.470 3.425 -6.779 66 HD2 LYS 8 HD2 LYS 8 -0.623 2.191 -7.814 67 HD3 LYS 8 HD3 LYS 8 -0.799 1.606 -6.158 68 HE2 LYS 8 HE2 LYS 8 -1.060 3.773 -5.302 69 HE3 LYS 8 HE3 LYS 8 -0.411 4.521 -6.760 70 HZ1 LYS 8 HZ1 LYS 8 -2.731 4.842 -6.804 71 HZ2 LYS 8 HZ2 LYS 8 -3.056 3.231 -6.408 72 HZ3 LYS 8 HZ3 LYS 8 -2.423 3.616 -7.929 73 H ARG 9 H ARG 9 2.199 -0.074 -4.414 74 HA ARG 9 HA ARG 9 0.017 -1.999 -4.877 75 HB2 ARG 9 HB2 ARG 9 2.454 -2.837 -4.090 76 HB3 ARG 9 HB3 ARG 9 1.763 -2.450 -2.520 77 HG2 ARG 9 HG2 ARG 9 1.308 -4.720 -2.851 78 HG3 ARG 9 HG3 ARG 9 -0.212 -3.894 -3.199 79 HD2 ARG 9 HD2 ARG 9 0.342 -5.660 -4.856 80 HD3 ARG 9 HD3 ARG 9 0.202 -4.071 -5.579 81 HE ARG 9 HE ARG 9 2.387 -4.130 -6.086 82 HH11 ARG 9 HH11 ARG 9 1.721 -6.757 -3.850 83 HH12 ARG 9 HH12 ARG 9 3.125 -7.647 -4.330 84 HH21 ARG 9 HH21 ARG 9 4.040 -5.274 -6.716 85 HH22 ARG 9 HH22 ARG 9 4.500 -6.780 -5.994 86 H CYS 10 H CYS 10 -1.634 -2.039 -3.282 87 HA CYS 10 HA CYS 10 -1.435 0.028 -1.199 88 HB2 CYS 10 HB2 CYS 10 -3.948 -0.306 -2.830 89 HB3 CYS 10 HB3 CYS 10 -3.552 0.977 -1.697 90 H PHE 11 H PHE 11 -1.772 -0.817 0.706 91 HA PHE 11 HA PHE 11 -3.698 -3.027 0.947 92 HB2 PHE 11 HB2 PHE 11 -2.455 -3.912 2.830 93 HB3 PHE 11 HB3 PHE 11 -1.307 -3.620 1.520 94 HD1 PHE 11 HD1 PHE 11 -2.593 -2.362 4.732 95 HD2 PHE 11 HD2 PHE 11 0.480 -2.083 1.803 96 HE1 PHE 11 HE1 PHE 11 -1.231 -1.018 6.287 97 HE2 PHE 11 HE2 PHE 11 1.839 -0.735 3.346 98 HZ PHE 11 HZ PHE 11 0.985 -0.200 5.592 99 H TYR 12 H TYR 12 -5.338 -2.799 2.410 100 HA TYR 12 HA TYR 12 -5.751 -0.193 3.613 101 HB2 TYR 12 HB2 TYR 12 -7.417 -2.659 3.219 102 HB3 TYR 12 HB3 TYR 12 -7.838 -1.598 4.559 103 HD1 TYR 12 HD2 TYR 12 -7.601 -1.854 0.893 104 HD2 TYR 12 HD1 TYR 12 -8.729 0.655 4.138 105 HE1 TYR 12 HE2 TYR 12 -8.711 -0.402 -0.651 106 HE2 TYR 12 HE1 TYR 12 -9.828 2.103 2.620 107 HH TYR 12 HH TYR 12 -9.619 1.738 -0.874 108 H PHE 13 H PHE 13 -5.655 0.163 5.888 109 HA PHE 13 HA PHE 13 -4.740 -2.198 7.445 110 HB2 PHE 13 HB2 PHE 13 -2.971 -0.367 7.065 111 HB3 PHE 13 HB3 PHE 13 -3.938 0.620 8.168 112 HD1 PHE 13 HD2 PHE 13 -2.105 -2.551 7.863 113 HD2 PHE 13 HD1 PHE 13 -3.832 0.253 10.529 114 HE1 PHE 13 HE2 PHE 13 -0.992 -3.654 9.733 115 HE2 PHE 13 HE1 PHE 13 -2.716 -0.807 12.418 116 HZ PHE 13 HZ PHE 13 -1.282 -2.787 12.030 117 H ASN 14 H ASN 14 -6.132 -2.781 8.849 118 HA ASN 14 HA ASN 14 -8.159 -0.903 9.666 119 HB2 ASN 14 HB2 ASN 14 -8.753 -3.232 8.881 120 HB3 ASN 14 HB3 ASN 14 -8.058 -3.848 10.324 121 HD21 ASN 14 HD21 ASN 14 -10.005 -0.994 9.896 122 HD22 ASN 14 HD22 ASN 14 -11.295 -1.485 10.926 123 H ARG 15 H ARG 15 -6.363 0.204 10.845 124 HA ARG 15 HA ARG 15 -4.782 -0.666 12.798 125 HB2 ARG 15 HB2 ARG 15 -4.335 1.482 12.793 126 HB3 ARG 15 HB3 ARG 15 -5.931 1.899 12.181 127 HG2 ARG 15 HG2 ARG 15 -6.801 2.241 14.296 128 HG3 ARG 15 HG3 ARG 15 -5.551 1.271 15.078 129 HD2 ARG 15 HD2 ARG 15 -4.871 3.816 13.638 130 HD3 ARG 15 HD3 ARG 15 -5.432 3.837 15.310 131 HE ARG 15 HE ARG 15 -2.860 2.972 14.345 132 HH11 ARG 15 HH11 ARG 15 -5.161 2.745 16.978 133 HH12 ARG 15 HH12 ARG 15 -3.964 2.296 18.145 134 HH21 ARG 15 HH21 ARG 15 -1.292 2.376 15.888 135 HH22 ARG 15 HH22 ARG 15 -1.769 2.087 17.527 136 H ILE 16 H ILE 16 -8.302 -0.735 13.221 137 HA ILE 16 HA ILE 16 -8.335 -0.814 15.994 138 HB ILE 16 HB ILE 16 -10.074 -1.912 13.862 139 HG12 ILE 16 HG12 ILE 16 -10.955 0.113 13.948 140 HG13 ILE 16 HG13 ILE 16 -11.340 -0.129 15.615 141 HG21 ILE 16 HG21 ILE 16 -11.594 -2.469 15.734 142 HG22 ILE 16 HG22 ILE 16 -10.257 -2.075 16.827 143 HG23 ILE 16 HG23 ILE 16 -10.091 -3.419 15.687 144 HD11 ILE 16 HD11 ILE 16 -9.896 1.913 14.680 145 HD12 ILE 16 HD12 ILE 16 -8.610 0.770 15.076 146 HD13 ILE 16 HD13 ILE 16 -9.748 1.277 16.321 147 H THR 17 H THR 17 -8.290 -3.149 13.467 148 HA THR 17 HA THR 17 -7.499 -5.247 15.221 149 HB THR 17 HB THR 17 -8.409 -6.747 13.690 150 HG1 THR 17 HG1 THR 17 -7.463 -5.583 11.847 151 HG21 THR 17 HG21 THR 17 -10.119 -4.280 13.586 152 HG22 THR 17 HG22 THR 17 -9.932 -5.331 14.997 153 HG23 THR 17 HG23 THR 17 -10.647 -5.982 13.515 154 H GLY 18 H GLY 18 -6.015 -2.964 13.976 155 HA2 GLY 18 HA2 GLY 18 -4.210 -2.507 12.643 156 HA3 GLY 18 HA3 GLY 18 -3.440 -3.648 13.694 157 H LYS 19 H LYS 19 -6.017 -4.454 11.565 158 HA LYS 19 HA LYS 19 -4.623 -6.530 10.279 159 HB2 LYS 19 HB2 LYS 19 -7.299 -5.380 10.229 160 HB3 LYS 19 HB3 LYS 19 -6.774 -6.239 8.785 161 HG2 LYS 19 HG2 LYS 19 -6.157 -8.119 10.247 162 HG3 LYS 19 HG3 LYS 19 -6.983 -7.264 11.577 163 HD2 LYS 19 HD2 LYS 19 -8.742 -8.522 10.849 164 HD3 LYS 19 HD3 LYS 19 -8.911 -7.180 9.716 165 HE2 LYS 19 HE2 LYS 19 -7.406 -8.519 8.157 166 HE3 LYS 19 HE3 LYS 19 -7.678 -9.881 9.242 167 HZ1 LYS 19 HZ1 LYS 19 -10.055 -9.675 8.842 168 HZ2 LYS 19 HZ2 LYS 19 -9.221 -9.912 7.390 169 HZ3 LYS 19 HZ3 LYS 19 -9.789 -8.372 7.795 170 H ARG 20 H ARG 20 -4.390 -6.837 8.062 171 HA ARG 20 HA ARG 20 -4.361 -4.469 6.420 172 HB2 ARG 20 HB2 ARG 20 -2.192 -4.814 5.535 173 HB3 ARG 20 HB3 ARG 20 -2.095 -4.791 7.318 174 HG2 ARG 20 HG2 ARG 20 -2.320 -7.416 5.946 175 HG3 ARG 20 HG3 ARG 20 -0.774 -6.570 5.915 176 HD2 ARG 20 HD2 ARG 20 -0.521 -6.678 8.218 177 HD3 ARG 20 HD3 ARG 20 -2.245 -6.919 8.494 178 HE ARG 20 HE ARG 20 -0.864 -9.056 7.096 179 HH11 ARG 20 HH11 ARG 20 -2.056 -7.844 10.161 180 HH12 ARG 20 HH12 ARG 20 -2.056 -9.403 10.914 181 HH21 ARG 20 HH21 ARG 20 -0.865 -11.103 8.097 182 HH22 ARG 20 HH22 ARG 20 -1.380 -11.252 9.744 183 H GLN 21 H GLN 21 -4.881 -4.730 4.422 184 HA GLN 21 HA GLN 21 -4.890 -7.324 3.179 185 HB2 GLN 21 HB2 GLN 21 -7.412 -6.342 2.645 186 HB3 GLN 21 HB3 GLN 21 -7.019 -7.780 3.527 187 HG2 GLN 21 HG2 GLN 21 -6.880 -6.346 5.554 188 HG3 GLN 21 HG3 GLN 21 -7.466 -5.034 4.583 189 HE21 GLN 21 HE21 GLN 21 -9.604 -5.281 3.638 190 HE22 GLN 21 HE22 GLN 21 -10.753 -6.238 4.476 191 H PHE 22 H PHE 22 -4.966 -7.123 0.880 192 HA PHE 22 HA PHE 22 -4.408 -4.427 -0.077 193 HB2 PHE 22 HB2 PHE 22 -4.514 -7.130 -1.424 194 HB3 PHE 22 HB3 PHE 22 -4.219 -5.644 -2.313 195 HD1 PHE 22 HD2 PHE 22 -2.260 -4.157 -1.249 196 HD2 PHE 22 HD1 PHE 22 -2.677 -8.352 -0.765 197 HE1 PHE 22 HE2 PHE 22 0.121 -4.329 -0.735 198 HE2 PHE 22 HE1 PHE 22 -0.296 -8.533 -0.250 199 HZ PHE 22 HZ PHE 22 1.088 -6.518 -0.239 200 H GLU 23 H GLU 23 -6.953 -4.777 1.012 201 HA GLU 23 HA GLU 23 -8.765 -4.355 -1.226 202 HB2 GLU 23 HB2 GLU 23 -9.720 -6.310 -0.721 203 HB3 GLU 23 HB3 GLU 23 -8.746 -6.477 0.751 204 HG2 GLU 23 HG2 GLU 23 -10.317 -5.070 1.973 205 HG3 GLU 23 HG3 GLU 23 -11.267 -4.853 0.503 206 H ARG 24 H ARG 24 -10.474 -3.197 -0.914 207 HA ARG 24 HA ARG 24 -10.516 -1.408 1.384 208 HB2 ARG 24 HB2 ARG 24 -10.788 -0.387 -0.787 209 HB3 ARG 24 HB3 ARG 24 -12.101 -1.491 -1.180 210 HG2 ARG 24 HG2 ARG 24 -13.522 -0.513 0.357 211 HG3 ARG 24 HG3 ARG 24 -12.200 0.357 1.146 212 HD2 ARG 24 HD2 ARG 24 -11.989 1.237 -1.406 213 HD3 ARG 24 HD3 ARG 24 -13.737 1.052 -1.254 214 HE ARG 24 HE ARG 24 -12.097 3.044 -0.059 215 HH11 ARG 24 HH11 ARG 24 -15.027 1.189 0.438 216 HH12 ARG 24 HH12 ARG 24 -15.749 2.379 1.468 217 HH21 ARG 24 HH21 ARG 24 -13.055 4.604 1.297 218 HH22 ARG 24 HH22 ARG 24 -14.632 4.317 1.951 219 HA PRO 25 HA PRO 25 -12.862 -4.726 3.199 220 HB2 PRO 25 HB2 PRO 25 -13.015 -2.875 5.365 221 HB3 PRO 25 HB3 PRO 25 -12.377 -4.490 5.315 222 HG2 PRO 25 HG2 PRO 25 -10.786 -2.381 5.502 223 HG3 PRO 25 HG3 PRO 25 -10.337 -3.774 4.589 224 HD2 PRO 25 HD2 PRO 25 -11.294 -1.149 3.562 225 HD3 PRO 25 HD3 PRO 25 -10.063 -2.275 2.937 226 H SER 26 H SER 26 -14.823 -5.106 4.077 227 HA SER 26 HA SER 26 -17.018 -4.677 2.879 228 HB2 SER 26 HB2 SER 26 -16.985 -5.912 4.896 229 HB3 SER 26 HB3 SER 26 -16.804 -4.417 5.821 230 HG SER 26 HG SER 26 -18.910 -4.469 5.899 231 H ASP 27 H ASP 27 -15.845 -2.361 5.029 232 HA ASP 27 HA ASP 27 -16.097 -0.122 5.175 233 HB2 ASP 27 HB2 ASP 27 -15.805 0.528 3.143 234 HB3 ASP 27 HB3 ASP 27 -16.585 -0.930 2.528 235 H1 LYS 1 H1 LYS 1 -18.125 4.575 2.756 236 H2 LYS 1 H2 LYS 1 -18.256 6.239 3.155 237 H3 LYS 1 H3 LYS 1 -18.418 5.046 4.378 238 HA LYS 1 HA LYS 1 -15.982 5.396 2.776 239 HB2 LYS 1 HB2 LYS 1 -15.087 6.713 4.609 240 HB3 LYS 1 HB3 LYS 1 -16.539 7.479 3.982 241 HG2 LYS 1 HG2 LYS 1 -17.152 5.671 6.153 242 HG3 LYS 1 HG3 LYS 1 -15.969 6.888 6.631 243 HD2 LYS 1 HD2 LYS 1 -17.676 8.296 6.915 244 HD3 LYS 1 HD3 LYS 1 -17.873 8.293 5.164 245 HE2 LYS 1 HE2 LYS 1 -19.950 7.797 6.429 246 HE3 LYS 1 HE3 LYS 1 -19.489 6.550 5.274 247 HZ1 LYS 1 HZ1 LYS 1 -20.219 5.907 7.666 248 HZ2 LYS 1 HZ2 LYS 1 -18.628 6.305 8.076 249 HZ3 LYS 1 HZ3 LYS 1 -18.928 5.091 6.938 250 H LEU 2 H LEU 2 -14.079 4.586 4.102 251 HA LEU 2 HA LEU 2 -14.209 1.912 4.654 252 HB2 LEU 2 HB2 LEU 2 -12.454 4.075 5.690 253 HB3 LEU 2 HB3 LEU 2 -12.266 2.415 6.179 254 HG LEU 2 HG LEU 2 -12.058 3.388 3.350 255 HD11 LEU 2 HD11 LEU 2 -9.634 2.404 4.210 256 HD12 LEU 2 HD12 LEU 2 -10.265 3.277 5.611 257 HD13 LEU 2 HD13 LEU 2 -10.093 4.111 4.066 258 HD21 LEU 2 HD21 LEU 2 -12.133 1.247 2.765 259 HD22 LEU 2 HD22 LEU 2 -12.431 0.786 4.443 260 HD23 LEU 2 HD23 LEU 2 -10.776 0.916 3.846 261 HA PRO 3 HA PRO 3 -15.924 1.206 8.685 262 HB2 PRO 3 HB2 PRO 3 -14.035 -0.939 8.946 263 HB3 PRO 3 HB3 PRO 3 -15.789 -1.008 8.811 264 HG2 PRO 3 HG2 PRO 3 -14.212 -1.832 6.818 265 HG3 PRO 3 HG3 PRO 3 -15.750 -1.045 6.524 266 HD2 PRO 3 HD2 PRO 3 -12.984 0.133 6.359 267 HD3 PRO 3 HD3 PRO 3 -14.364 0.280 5.268 268 HA PRO 4 HA PRO 4 -13.382 3.051 11.680 269 HB2 PRO 4 HB2 PRO 4 -14.175 0.713 13.222 270 HB3 PRO 4 HB3 PRO 4 -14.092 2.387 13.685 271 HG2 PRO 4 HG2 PRO 4 -16.406 1.570 13.099 272 HG3 PRO 4 HG3 PRO 4 -15.832 2.963 12.200 273 HD2 PRO 4 HD2 PRO 4 -15.775 0.167 11.367 274 HD3 PRO 4 HD3 PRO 4 -16.442 1.549 10.545 275 H GLY 5 H GLY 5 -11.440 3.131 12.279 276 HA2 GLY 5 HA2 GLY 5 -9.279 2.520 12.723 277 HA3 GLY 5 HA3 GLY 5 -9.840 0.868 12.737 278 H TRP 6 H TRP 6 -10.924 1.457 9.820 279 HA TRP 6 HA TRP 6 -8.578 0.446 8.538 280 HB2 TRP 6 HB2 TRP 6 -11.355 0.955 7.746 281 HB3 TRP 6 HB3 TRP 6 -10.205 0.885 6.455 282 HD1 TRP 6 HD1 TRP 6 -12.612 -1.036 7.871 283 HE1 TRP 6 HE1 TRP 6 -12.240 -3.537 7.799 284 HE3 TRP 6 HE3 TRP 6 -7.772 -0.970 6.723 285 HZ2 TRP 6 HZ2 TRP 6 -10.076 -5.281 7.215 286 HZ3 TRP 6 HZ3 TRP 6 -6.600 -3.066 6.398 287 HH2 TRP 6 HH2 TRP 6 -7.682 -5.133 6.600 288 H GLU 7 H GLU 7 -7.506 1.339 6.810 289 HA GLU 7 HA GLU 7 -8.056 3.989 5.903 290 HB2 GLU 7 HB2 GLU 7 -5.966 5.033 6.559 291 HB3 GLU 7 HB3 GLU 7 -6.796 4.464 7.998 292 HG2 GLU 7 HG2 GLU 7 -5.312 2.550 8.131 293 HG3 GLU 7 HG3 GLU 7 -4.515 3.041 6.638 294 H LYS 8 H LYS 8 -7.595 4.057 3.824 295 HA LYS 8 HA LYS 8 -6.254 1.819 2.617 296 HB2 LYS 8 HB2 LYS 8 -8.285 3.125 1.601 297 HB3 LYS 8 HB3 LYS 8 -7.129 4.416 1.238 298 HG2 LYS 8 HG2 LYS 8 -5.778 2.587 0.012 299 HG3 LYS 8 HG3 LYS 8 -7.283 1.672 0.053 300 HD2 LYS 8 HD2 LYS 8 -8.437 3.472 -1.104 301 HD3 LYS 8 HD3 LYS 8 -6.967 4.448 -1.084 302 HE2 LYS 8 HE2 LYS 8 -6.870 3.566 -3.201 303 HE3 LYS 8 HE3 LYS 8 -5.934 2.374 -2.301 304 HZ1 LYS 8 HZ1 LYS 8 -7.859 0.952 -2.195 305 HZ2 LYS 8 HZ2 LYS 8 -7.556 1.360 -3.808 306 HZ3 LYS 8 HZ3 LYS 8 -8.817 2.113 -2.970 307 H ARG 9 H ARG 9 -4.127 1.703 2.233 308 HA ARG 9 HA ARG 9 -2.569 4.190 1.941 309 HB2 ARG 9 HB2 ARG 9 -2.264 3.227 4.210 310 HB3 ARG 9 HB3 ARG 9 -1.685 1.736 3.476 311 HG2 ARG 9 HG2 ARG 9 0.229 2.922 4.149 312 HG3 ARG 9 HG3 ARG 9 0.133 3.120 2.398 313 HD2 ARG 9 HD2 ARG 9 0.680 5.236 3.522 314 HD3 ARG 9 HD3 ARG 9 -0.867 5.331 2.707 315 HE ARG 9 HE ARG 9 -1.903 5.462 4.713 316 HH11 ARG 9 HH11 ARG 9 1.511 4.805 5.226 317 HH12 ARG 9 HH12 ARG 9 1.491 5.455 6.830 318 HH21 ARG 9 HH21 ARG 9 -1.882 6.317 6.632 319 HH22 ARG 9 HH22 ARG 9 -0.495 6.328 7.669 320 H CYS 10 H CYS 10 -0.820 4.127 0.499 321 HA CYS 10 HA CYS 10 -0.533 1.631 -1.042 322 HB2 CYS 10 HB2 CYS 10 -0.481 4.378 -2.292 323 HB3 CYS 10 HB3 CYS 10 -0.436 2.827 -3.116 324 H PHE 11 H PHE 11 1.434 0.867 -0.847 325 HA PHE 11 HA PHE 11 3.676 2.767 -0.683 326 HB2 PHE 11 HB2 PHE 11 4.956 1.142 0.542 327 HB3 PHE 11 HB3 PHE 11 3.367 1.218 1.304 328 HD1 PHE 11 HD2 PHE 11 5.543 -0.761 -0.941 329 HD2 PHE 11 HD1 PHE 11 1.971 -0.707 1.400 330 HE1 PHE 11 HE2 PHE 11 5.343 -3.208 -1.190 331 HE2 PHE 11 HE1 PHE 11 1.768 -3.155 1.150 332 HZ PHE 11 HZ PHE 11 3.454 -4.407 -0.146 333 H TYR 12 H TYR 12 5.334 2.573 -2.168 334 HA TYR 12 HA TYR 12 4.833 0.834 -4.442 335 HB2 TYR 12 HB2 TYR 12 6.596 3.190 -3.928 336 HB3 TYR 12 HB3 TYR 12 7.134 2.029 -5.139 337 HD1 TYR 12 HD2 TYR 12 4.462 4.420 -4.239 338 HD2 TYR 12 HD1 TYR 12 5.930 1.772 -7.267 339 HE1 TYR 12 HE2 TYR 12 2.916 5.385 -5.794 340 HE2 TYR 12 HE1 TYR 12 4.390 2.712 -8.817 341 HH TYR 12 HH TYR 12 2.406 5.548 -8.080 342 H PHE 13 H PHE 13 6.233 -0.866 -5.035 343 HA PHE 13 HA PHE 13 8.341 -1.489 -3.031 344 HB2 PHE 13 HB2 PHE 13 6.241 -2.988 -2.992 345 HB3 PHE 13 HB3 PHE 13 6.829 -3.621 -4.533 346 HD1 PHE 13 HD2 PHE 13 7.582 -3.236 -0.977 347 HD2 PHE 13 HD1 PHE 13 8.742 -5.116 -4.615 348 HE1 PHE 13 HE2 PHE 13 9.024 -4.759 0.278 349 HE2 PHE 13 HE1 PHE 13 10.153 -6.683 -3.393 350 HZ PHE 13 HZ PHE 13 10.320 -6.510 -0.917 351 H ASN 14 H ASN 14 10.232 -1.383 -3.900 352 HA ASN 14 HA ASN 14 10.473 -1.733 -6.746 353 HB2 ASN 14 HB2 ASN 14 12.958 -1.130 -6.183 354 HB3 ASN 14 HB3 ASN 14 11.751 0.113 -6.258 355 HD21 ASN 14 HD21 ASN 14 13.464 1.261 -5.048 356 HD22 ASN 14 HD22 ASN 14 13.451 1.107 -3.332 357 H ARG 15 H ARG 15 10.106 -4.038 -6.637 358 HA ARG 15 HA ARG 15 11.353 -5.823 -5.027 359 HB2 ARG 15 HB2 ARG 15 9.816 -6.912 -6.203 360 HB3 ARG 15 HB3 ARG 15 10.121 -6.011 -7.687 361 HG2 ARG 15 HG2 ARG 15 11.599 -7.518 -8.462 362 HG3 ARG 15 HG3 ARG 15 12.230 -7.892 -6.860 363 HD2 ARG 15 HD2 ARG 15 9.550 -8.802 -7.902 364 HD3 ARG 15 HD3 ARG 15 11.010 -9.792 -7.897 365 HE ARG 15 HE ARG 15 9.284 -9.257 -5.686 366 HH11 ARG 15 HH11 ARG 15 12.607 -9.966 -6.540 367 HH12 ARG 15 HH12 ARG 15 12.990 -10.632 -4.990 368 HH21 ARG 15 HH21 ARG 15 9.798 -10.135 -3.647 369 HH22 ARG 15 HH22 ARG 15 11.396 -10.730 -3.347 370 H ILE 16 H ILE 16 13.048 -3.859 -7.350 371 HA ILE 16 HA ILE 16 15.219 -5.527 -7.852 372 HB ILE 16 HB ILE 16 14.811 -2.595 -7.795 373 HG12 ILE 16 HG12 ILE 16 14.109 -2.989 -9.856 374 HG13 ILE 16 HG13 ILE 16 15.693 -3.556 -10.249 375 HG21 ILE 16 HG21 ILE 16 17.001 -3.056 -7.020 376 HG22 ILE 16 HG22 ILE 16 17.110 -2.510 -8.712 377 HG23 ILE 16 HG23 ILE 16 17.240 -4.232 -8.316 378 HD11 ILE 16 HD11 ILE 16 13.809 -5.487 -9.068 379 HD12 ILE 16 HD12 ILE 16 15.062 -5.728 -10.283 380 HD13 ILE 16 HD13 ILE 16 13.531 -4.963 -10.731 381 H THR 17 H THR 17 14.539 -2.943 -5.655 382 HA THR 17 HA THR 17 16.655 -3.699 -3.901 383 HB THR 17 HB THR 17 16.798 -1.572 -3.177 384 HG1 THR 17 HG1 THR 17 14.661 -1.500 -2.357 385 HG21 THR 17 HG21 THR 17 16.716 -0.132 -5.003 386 HG22 THR 17 HG22 THR 17 15.362 -1.013 -5.749 387 HG23 THR 17 HG23 THR 17 16.966 -1.750 -5.664 388 H GLY 18 H GLY 18 13.927 -4.809 -4.484 389 HA2 GLY 18 HA2 GLY 18 11.956 -5.317 -3.423 390 HA3 GLY 18 HA3 GLY 18 13.071 -6.257 -2.486 391 H LYS 19 H LYS 19 12.771 -2.739 -2.602 392 HA LYS 19 HA LYS 19 12.042 -2.853 0.236 393 HB2 LYS 19 HB2 LYS 19 13.383 -1.113 0.699 394 HB3 LYS 19 HB3 LYS 19 14.254 -1.781 -0.696 395 HG2 LYS 19 HG2 LYS 19 13.664 -0.079 -2.041 396 HG3 LYS 19 HG3 LYS 19 12.144 0.215 -1.188 397 HD2 LYS 19 HD2 LYS 19 14.799 0.807 0.088 398 HD3 LYS 19 HD3 LYS 19 14.011 1.978 -0.971 399 HE2 LYS 19 HE2 LYS 19 12.193 0.888 1.014 400 HE3 LYS 19 HE3 LYS 19 13.592 1.667 1.750 401 HZ1 LYS 19 HZ1 LYS 19 11.481 3.038 1.137 402 HZ2 LYS 19 HZ2 LYS 19 12.168 3.059 -0.407 403 HZ3 LYS 19 HZ3 LYS 19 13.021 3.699 0.905 404 H ARG 20 H ARG 20 10.811 -0.960 1.046 405 HA ARG 20 HA ARG 20 8.761 -0.248 -0.910 406 HB2 ARG 20 HB2 ARG 20 7.040 -0.614 0.688 407 HB3 ARG 20 HB3 ARG 20 8.133 -2.021 0.725 408 HG2 ARG 20 HG2 ARG 20 8.442 -1.763 2.893 409 HG3 ARG 20 HG3 ARG 20 9.029 -0.119 2.643 410 HD2 ARG 20 HD2 ARG 20 7.237 0.445 3.882 411 HD3 ARG 20 HD3 ARG 20 6.368 0.258 2.360 412 HE ARG 20 HE ARG 20 6.554 -2.192 3.825 413 HH11 ARG 20 HH11 ARG 20 4.755 0.797 3.548 414 HH12 ARG 20 HH12 ARG 20 3.320 0.141 4.258 415 HH21 ARG 20 HH21 ARG 20 4.657 -3.052 4.754 416 HH22 ARG 20 HH22 ARG 20 3.262 -2.044 4.940 417 H GLN 21 H GLN 21 7.716 1.634 -0.799 418 HA GLN 21 HA GLN 21 8.462 3.568 1.224 419 HB2 GLN 21 HB2 GLN 21 8.446 4.990 -1.140 420 HB3 GLN 21 HB3 GLN 21 9.796 4.737 -0.085 421 HG2 GLN 21 HG2 GLN 21 10.158 2.595 -1.368 422 HG3 GLN 21 HG3 GLN 21 8.980 3.197 -2.488 423 HE21 GLN 21 HE21 GLN 21 9.511 5.107 -3.690 424 HE22 GLN 21 HE22 GLN 21 11.152 5.537 -3.908 425 H PHE 22 H PHE 22 6.846 5.219 1.476 426 HA PHE 22 HA PHE 22 4.255 4.510 0.315 427 HB2 PHE 22 HB2 PHE 22 5.134 6.559 2.353 428 HB3 PHE 22 HB3 PHE 22 3.480 6.465 1.765 429 HD1 PHE 22 HD2 PHE 22 2.590 3.859 1.820 430 HD2 PHE 22 HD1 PHE 22 5.484 5.599 4.413 431 HE1 PHE 22 HE2 PHE 22 2.093 2.156 3.511 432 HE2 PHE 22 HE1 PHE 22 4.993 3.900 6.109 433 HZ PHE 22 HZ PHE 22 3.298 2.189 5.646 434 H GLU 23 H GLU 23 6.181 5.347 -1.483 435 HA GLU 23 HA GLU 23 5.191 7.874 -2.570 436 HB2 GLU 23 HB2 GLU 23 7.230 8.737 -2.203 437 HB3 GLU 23 HB3 GLU 23 7.821 7.181 -1.604 438 HG2 GLU 23 HG2 GLU 23 8.260 6.466 -3.924 439 HG3 GLU 23 HG3 GLU 23 7.715 8.044 -4.484 440 H ARG 24 H ARG 24 5.483 8.206 -4.708 441 HA ARG 24 HA ARG 24 5.726 5.772 -6.264 442 HB2 ARG 24 HB2 ARG 24 3.723 6.967 -6.765 443 HB3 ARG 24 HB3 ARG 24 4.634 8.457 -7.047 444 HG2 ARG 24 HG2 ARG 24 5.884 6.549 -8.570 445 HG3 ARG 24 HG3 ARG 24 4.156 6.237 -8.785 446 HD2 ARG 24 HD2 ARG 24 4.069 8.840 -9.093 447 HD3 ARG 24 HD3 ARG 24 5.766 8.627 -9.510 448 HE ARG 24 HE ARG 24 5.175 7.525 -11.431 449 HH11 ARG 24 HH11 ARG 24 2.313 8.125 -9.499 450 HH12 ARG 24 HH12 ARG 24 1.217 7.717 -10.775 451 HH21 ARG 24 HH21 ARG 24 3.721 6.988 -13.107 452 HH22 ARG 24 HH22 ARG 24 2.015 7.071 -12.822 453 HA PRO 25 HA PRO 25 10.044 7.091 -6.067 454 HB2 PRO 25 HB2 PRO 25 10.395 5.032 -7.943 455 HB3 PRO 25 HB3 PRO 25 10.834 5.063 -6.250 456 HG2 PRO 25 HG2 PRO 25 8.430 3.970 -7.549 457 HG3 PRO 25 HG3 PRO 25 9.176 3.480 -6.048 458 HD2 PRO 25 HD2 PRO 25 6.905 4.768 -5.981 459 HD3 PRO 25 HD3 PRO 25 8.183 5.185 -4.862 460 H SER 26 H SER 26 11.519 7.905 -7.320 461 HA SER 26 HA SER 26 11.270 9.875 -8.900 462 HB2 SER 26 HB2 SER 26 13.412 9.000 -8.422 463 HB3 SER 26 HB3 SER 26 13.115 7.641 -9.512 464 HG SER 26 HG SER 26 14.314 9.089 -10.667 465 H ASP 27 H ASP 27 10.978 6.749 -10.131 466 HA ASP 27 HA ASP 27 9.861 5.885 -11.893 467 HB2 ASP 27 HB2 ASP 27 7.921 6.804 -11.723 468 HB3 ASP 27 HB3 ASP 27 8.641 8.305 -11.137 Start of MODEL 27 1 H1 LYS 1 H1 LYS 1 3.578 2.918 -16.271 2 H2 LYS 1 H2 LYS 1 5.026 2.001 -16.178 3 H3 LYS 1 H3 LYS 1 5.088 3.671 -16.570 4 HA LYS 1 HA LYS 1 4.318 4.263 -14.433 5 HB2 LYS 1 HB2 LYS 1 3.819 2.612 -12.751 6 HB3 LYS 1 HB3 LYS 1 2.867 2.254 -14.183 7 HG2 LYS 1 HG2 LYS 1 5.401 0.857 -14.215 8 HG3 LYS 1 HG3 LYS 1 4.468 0.496 -12.762 9 HD2 LYS 1 HD2 LYS 1 2.567 -0.166 -14.096 10 HD3 LYS 1 HD3 LYS 1 3.391 0.322 -15.576 11 HE2 LYS 1 HE2 LYS 1 4.170 -1.912 -13.717 12 HE3 LYS 1 HE3 LYS 1 3.490 -2.069 -15.333 13 HZ1 LYS 1 HZ1 LYS 1 5.746 -2.383 -15.658 14 HZ2 LYS 1 HZ2 LYS 1 6.193 -1.186 -14.550 15 HZ3 LYS 1 HZ3 LYS 1 5.551 -0.749 -16.052 16 H LEU 2 H LEU 2 5.610 3.810 -12.282 17 HA LEU 2 HA LEU 2 8.134 4.510 -12.516 18 HB2 LEU 2 HB2 LEU 2 8.451 4.043 -10.272 19 HB3 LEU 2 HB3 LEU 2 6.745 4.344 -10.461 20 HG LEU 2 HG LEU 2 8.098 1.728 -10.098 21 HD11 LEU 2 HD11 LEU 2 6.200 1.652 -8.386 22 HD12 LEU 2 HD12 LEU 2 6.201 3.412 -8.577 23 HD13 LEU 2 HD13 LEU 2 7.654 2.593 -7.992 24 HD21 LEU 2 HD21 LEU 2 5.250 2.266 -10.630 25 HD22 LEU 2 HD22 LEU 2 6.025 0.698 -10.404 26 HD23 LEU 2 HD23 LEU 2 6.443 1.691 -11.826 27 HA PRO 3 HA PRO 3 11.420 1.921 -13.637 28 HB2 PRO 3 HB2 PRO 3 12.211 1.884 -10.828 29 HB3 PRO 3 HB3 PRO 3 13.135 2.341 -12.251 30 HG2 PRO 3 HG2 PRO 3 12.100 4.172 -10.606 31 HG3 PRO 3 HG3 PRO 3 12.212 4.446 -12.343 32 HD2 PRO 3 HD2 PRO 3 9.849 3.856 -10.668 33 HD3 PRO 3 HD3 PRO 3 9.961 4.750 -12.164 34 HA PRO 4 HA PRO 4 11.142 -2.388 -13.083 35 HB2 PRO 4 HB2 PRO 4 14.011 -2.093 -12.704 36 HB3 PRO 4 HB3 PRO 4 13.127 -3.196 -13.714 37 HG2 PRO 4 HG2 PRO 4 14.138 -1.239 -14.925 38 HG3 PRO 4 HG3 PRO 4 12.406 -1.451 -15.116 39 HD2 PRO 4 HD2 PRO 4 13.769 0.312 -13.229 40 HD3 PRO 4 HD3 PRO 4 12.590 0.705 -14.449 41 H GLY 5 H GLY 5 11.183 -3.964 -11.653 42 HA2 GLY 5 HA2 GLY 5 11.357 -4.973 -9.598 43 HA3 GLY 5 HA3 GLY 5 12.461 -3.688 -9.165 44 H TRP 6 H TRP 6 10.334 -1.615 -9.907 45 HA TRP 6 HA TRP 6 9.197 -1.399 -7.330 46 HB2 TRP 6 HB2 TRP 6 9.076 0.177 -9.822 47 HB3 TRP 6 HB3 TRP 6 7.854 0.441 -8.648 48 HD1 TRP 6 HD1 TRP 6 10.649 1.928 -9.808 49 HE1 TRP 6 HE1 TRP 6 12.037 3.224 -8.089 50 HE3 TRP 6 HE3 TRP 6 8.447 0.234 -5.709 51 HZ2 TRP 6 HZ2 TRP 6 12.068 3.485 -5.242 52 HZ3 TRP 6 HZ3 TRP 6 9.123 1.035 -3.551 53 HH2 TRP 6 HH2 TRP 6 10.821 2.617 -3.300 54 H GLU 7 H GLU 7 7.055 -1.436 -6.778 55 HA GLU 7 HA GLU 7 5.015 -1.973 -8.666 56 HB2 GLU 7 HB2 GLU 7 4.222 -4.092 -7.659 57 HB3 GLU 7 HB3 GLU 7 5.709 -4.246 -8.577 58 HG2 GLU 7 HG2 GLU 7 6.056 -3.776 -5.693 59 HG3 GLU 7 HG3 GLU 7 5.299 -5.305 -6.122 60 H LYS 8 H LYS 8 3.731 -0.512 -7.989 61 HA LYS 8 HA LYS 8 3.491 0.595 -5.481 62 HB2 LYS 8 HB2 LYS 8 2.277 1.313 -7.731 63 HB3 LYS 8 HB3 LYS 8 1.030 0.151 -7.268 64 HG2 LYS 8 HG2 LYS 8 0.574 1.365 -5.213 65 HG3 LYS 8 HG3 LYS 8 1.875 2.502 -5.573 66 HD2 LYS 8 HD2 LYS 8 0.528 2.827 -7.813 67 HD3 LYS 8 HD3 LYS 8 -0.809 2.216 -6.839 68 HE2 LYS 8 HE2 LYS 8 -0.993 4.132 -5.704 69 HE3 LYS 8 HE3 LYS 8 0.748 4.247 -5.456 70 HZ1 LYS 8 HZ1 LYS 8 -0.588 5.960 -6.941 71 HZ2 LYS 8 HZ2 LYS 8 -0.247 4.818 -8.140 72 HZ3 LYS 8 HZ3 LYS 8 1.015 5.540 -7.277 73 H ARG 9 H ARG 9 2.463 -0.031 -3.564 74 HA ARG 9 HA ARG 9 0.765 -2.441 -3.644 75 HB2 ARG 9 HB2 ARG 9 3.124 -1.883 -1.877 76 HB3 ARG 9 HB3 ARG 9 1.828 -2.927 -1.319 77 HG2 ARG 9 HG2 ARG 9 2.798 -3.597 -3.990 78 HG3 ARG 9 HG3 ARG 9 4.027 -3.724 -2.732 79 HD2 ARG 9 HD2 ARG 9 1.417 -5.186 -2.947 80 HD3 ARG 9 HD3 ARG 9 3.029 -5.847 -2.785 81 HE ARG 9 HE ARG 9 1.288 -4.953 -0.735 82 HH11 ARG 9 HH11 ARG 9 4.658 -5.525 -1.546 83 HH12 ARG 9 HH12 ARG 9 5.050 -6.053 0.055 84 HH21 ARG 9 HH21 ARG 9 1.767 -5.685 1.180 85 HH22 ARG 9 HH22 ARG 9 3.369 -6.133 1.664 86 H CYS 10 H CYS 10 -1.153 -1.278 -3.417 87 HA CYS 10 HA CYS 10 -1.400 0.371 -0.993 88 HB2 CYS 10 HB2 CYS 10 -3.659 0.330 -2.900 89 HB3 CYS 10 HB3 CYS 10 -2.954 1.665 -2.010 90 H PHE 11 H PHE 11 -1.868 -0.883 0.666 91 HA PHE 11 HA PHE 11 -4.198 -2.659 0.418 92 HB2 PHE 11 HB2 PHE 11 -3.250 -4.128 2.114 93 HB3 PHE 11 HB3 PHE 11 -2.051 -3.883 0.844 94 HD1 PHE 11 HD2 PHE 11 -3.064 -2.850 4.238 95 HD2 PHE 11 HD1 PHE 11 0.068 -2.978 1.357 96 HE1 PHE 11 HE2 PHE 11 -1.452 -2.141 5.961 97 HE2 PHE 11 HE1 PHE 11 1.680 -2.265 3.073 98 HZ PHE 11 HZ PHE 11 0.923 -1.847 5.377 99 H TYR 12 H TYR 12 -5.808 -2.415 1.917 100 HA TYR 12 HA TYR 12 -5.824 -0.040 3.554 101 HB2 TYR 12 HB2 TYR 12 -7.790 -2.161 2.819 102 HB3 TYR 12 HB3 TYR 12 -8.034 -1.389 4.383 103 HD1 TYR 12 HD1 TYR 12 -8.413 1.064 4.496 104 HD2 TYR 12 HD2 TYR 12 -8.214 -0.936 0.761 105 HE1 TYR 12 HE1 TYR 12 -9.491 2.913 3.479 106 HE2 TYR 12 HE2 TYR 12 -9.285 0.935 -0.319 107 HH TYR 12 HH TYR 12 -9.518 3.921 0.973 108 H PHE 13 H PHE 13 -5.622 -0.011 5.837 109 HA PHE 13 HA PHE 13 -5.016 -2.655 7.050 110 HB2 PHE 13 HB2 PHE 13 -2.994 -1.091 6.774 111 HB3 PHE 13 HB3 PHE 13 -3.742 -0.104 8.036 112 HD1 PHE 13 HD1 PHE 13 -2.469 -3.462 7.266 113 HD2 PHE 13 HD2 PHE 13 -3.593 -0.762 10.332 114 HE1 PHE 13 HE1 PHE 13 -1.481 -4.949 8.924 115 HE2 PHE 13 HE2 PHE 13 -2.586 -2.206 12.017 116 HZ PHE 13 HZ PHE 13 -1.519 -4.329 11.320 117 H ASN 14 H ASN 14 -6.413 -3.191 8.461 118 HA ASN 14 HA ASN 14 -8.096 -1.160 9.626 119 HB2 ASN 14 HB2 ASN 14 -9.060 -3.283 8.648 120 HB3 ASN 14 HB3 ASN 14 -8.365 -4.145 9.956 121 HD21 ASN 14 HD21 ASN 14 -9.929 -1.038 9.998 122 HD22 ASN 14 HD22 ASN 14 -11.203 -1.478 11.069 123 H ARG 15 H ARG 15 -6.150 -0.418 10.836 124 HA ARG 15 HA ARG 15 -4.610 -1.790 12.543 125 HB2 ARG 15 HB2 ARG 15 -3.818 0.247 12.746 126 HB3 ARG 15 HB3 ARG 15 -5.364 0.989 12.339 127 HG2 ARG 15 HG2 ARG 15 -6.072 0.649 14.703 128 HG3 ARG 15 HG3 ARG 15 -4.433 0.103 15.060 129 HD2 ARG 15 HD2 ARG 15 -4.235 2.317 15.616 130 HD3 ARG 15 HD3 ARG 15 -3.795 2.402 13.911 131 HE ARG 15 HE ARG 15 -5.714 3.583 13.505 132 HH11 ARG 15 HH11 ARG 15 -5.952 2.133 16.685 133 HH12 ARG 15 HH12 ARG 15 -7.395 2.994 17.102 134 HH21 ARG 15 HH21 ARG 15 -7.614 4.713 14.063 135 HH22 ARG 15 HH22 ARG 15 -8.339 4.457 15.616 136 H ILE 16 H ILE 16 -8.066 -1.435 13.113 137 HA ILE 16 HA ILE 16 -8.057 -1.812 15.859 138 HB ILE 16 HB ILE 16 -9.965 -2.438 13.680 139 HG12 ILE 16 HG12 ILE 16 -10.583 -0.343 14.008 140 HG13 ILE 16 HG13 ILE 16 -10.962 -0.716 15.652 141 HG21 ILE 16 HG21 ILE 16 -10.146 -4.120 15.333 142 HG22 ILE 16 HG22 ILE 16 -11.509 -2.991 15.536 143 HG23 ILE 16 HG23 ILE 16 -10.106 -2.904 16.614 144 HD11 ILE 16 HD11 ILE 16 -9.183 0.383 16.452 145 HD12 ILE 16 HD12 ILE 16 -9.309 1.233 14.905 146 HD13 ILE 16 HD13 ILE 16 -8.155 -0.092 15.101 147 H THR 17 H THR 17 -8.376 -3.838 13.089 148 HA THR 17 HA THR 17 -7.829 -6.201 14.584 149 HB THR 17 HB THR 17 -9.028 -7.395 12.988 150 HG1 THR 17 HG1 THR 17 -8.018 -6.210 11.196 151 HG21 THR 17 HG21 THR 17 -10.341 -4.705 13.254 152 HG22 THR 17 HG22 THR 17 -10.273 -5.949 14.510 153 HG23 THR 17 HG23 THR 17 -11.136 -6.281 13.003 154 H GLY 18 H GLY 18 -6.076 -4.053 13.492 155 HA2 GLY 18 HA2 GLY 18 -4.283 -3.721 12.110 156 HA3 GLY 18 HA3 GLY 18 -3.661 -5.100 12.949 157 H LYS 19 H LYS 19 -6.444 -5.228 10.946 158 HA LYS 19 HA LYS 19 -5.507 -7.294 9.296 159 HB2 LYS 19 HB2 LYS 19 -7.927 -5.714 9.606 160 HB3 LYS 19 HB3 LYS 19 -7.636 -6.388 8.005 161 HG2 LYS 19 HG2 LYS 19 -7.350 -8.574 9.041 162 HG3 LYS 19 HG3 LYS 19 -7.830 -7.852 10.600 163 HD2 LYS 19 HD2 LYS 19 -9.936 -8.360 10.022 164 HD3 LYS 19 HD3 LYS 19 -9.816 -7.059 8.835 165 HE2 LYS 19 HE2 LYS 19 -9.426 -8.514 7.084 166 HE3 LYS 19 HE3 LYS 19 -8.818 -9.787 8.141 167 HZ1 LYS 19 HZ1 LYS 19 -10.975 -10.352 8.806 168 HZ2 LYS 19 HZ2 LYS 19 -11.095 -10.127 7.134 169 HZ3 LYS 19 HZ3 LYS 19 -11.650 -8.928 8.189 170 H ARG 20 H ARG 20 -5.440 -7.314 7.026 171 HA ARG 20 HA ARG 20 -5.026 -4.781 5.721 172 HB2 ARG 20 HB2 ARG 20 -3.000 -5.420 4.647 173 HB3 ARG 20 HB3 ARG 20 -2.835 -5.559 6.419 174 HG2 ARG 20 HG2 ARG 20 -3.647 -8.037 5.097 175 HG3 ARG 20 HG3 ARG 20 -2.048 -7.454 4.638 176 HD2 ARG 20 HD2 ARG 20 -2.336 -7.181 7.456 177 HD3 ARG 20 HD3 ARG 20 -2.825 -8.811 7.005 178 HE ARG 20 HE ARG 20 -0.184 -7.607 6.538 179 HH11 ARG 20 HH11 ARG 20 -2.238 -10.452 6.631 180 HH12 ARG 20 HH12 ARG 20 -0.910 -11.556 6.519 181 HH21 ARG 20 HH21 ARG 20 1.548 -9.073 6.387 182 HH22 ARG 20 HH22 ARG 20 1.235 -10.776 6.380 183 H GLN 21 H GLN 21 -5.719 -4.638 3.761 184 HA GLN 21 HA GLN 21 -6.161 -6.966 2.122 185 HB2 GLN 21 HB2 GLN 21 -8.546 -5.544 1.998 186 HB3 GLN 21 HB3 GLN 21 -8.325 -7.191 2.497 187 HG2 GLN 21 HG2 GLN 21 -7.796 -6.224 4.771 188 HG3 GLN 21 HG3 GLN 21 -8.372 -4.717 4.135 189 HE21 GLN 21 HE21 GLN 21 -10.586 -4.883 3.113 190 HE22 GLN 21 HE22 GLN 21 -11.730 -5.819 3.981 191 H PHE 22 H PHE 22 -6.276 -6.363 -0.102 192 HA PHE 22 HA PHE 22 -5.448 -3.627 -0.642 193 HB2 PHE 22 HB2 PHE 22 -5.867 -6.079 -2.330 194 HB3 PHE 22 HB3 PHE 22 -5.724 -4.506 -3.093 195 HD1 PHE 22 HD2 PHE 22 -3.877 -5.551 -0.074 196 HD2 PHE 22 HD1 PHE 22 -3.688 -4.871 -4.257 197 HE1 PHE 22 HE2 PHE 22 -1.443 -5.744 0.010 198 HE2 PHE 22 HE1 PHE 22 -1.253 -5.061 -4.182 199 HZ PHE 22 HZ PHE 22 -0.149 -5.496 -2.047 200 H GLU 23 H GLU 23 -7.959 -3.815 0.555 201 HA GLU 23 HA GLU 23 -9.824 -2.757 -1.420 202 HB2 GLU 23 HB2 GLU 23 -11.000 -4.652 -1.266 203 HB3 GLU 23 HB3 GLU 23 -9.927 -5.264 0.003 204 HG2 GLU 23 HG2 GLU 23 -11.216 -3.966 1.672 205 HG3 GLU 23 HG3 GLU 23 -12.317 -3.477 0.385 206 H ARG 24 H ARG 24 -11.507 -1.620 -0.645 207 HA ARG 24 HA ARG 24 -11.192 -0.512 2.039 208 HB2 ARG 24 HB2 ARG 24 -11.310 1.113 0.231 209 HB3 ARG 24 HB3 ARG 24 -12.855 0.446 -0.296 210 HG2 ARG 24 HG2 ARG 24 -13.568 0.891 2.118 211 HG3 ARG 24 HG3 ARG 24 -12.192 2.009 2.147 212 HD2 ARG 24 HD2 ARG 24 -13.837 2.268 -0.243 213 HD3 ARG 24 HD3 ARG 24 -14.765 2.543 1.227 214 HE ARG 24 HE ARG 24 -13.532 4.441 1.657 215 HH11 ARG 24 HH11 ARG 24 -12.295 2.820 -1.192 216 HH12 ARG 24 HH12 ARG 24 -11.361 4.182 -1.709 217 HH21 ARG 24 HH21 ARG 24 -12.298 6.229 0.968 218 HH22 ARG 24 HH22 ARG 24 -11.362 6.116 -0.484 219 HA PRO 25 HA PRO 25 -13.744 -4.017 2.969 220 HB2 PRO 25 HB2 PRO 25 -13.865 -2.680 5.500 221 HB3 PRO 25 HB3 PRO 25 -13.355 -4.292 5.100 222 HG2 PRO 25 HG2 PRO 25 -11.607 -2.348 5.684 223 HG3 PRO 25 HG3 PRO 25 -11.228 -3.627 4.624 224 HD2 PRO 25 HD2 PRO 25 -11.695 -0.837 3.968 225 HD3 PRO 25 HD3 PRO 25 -10.812 -2.110 3.117 226 H SER 26 H SER 26 -15.681 -4.584 3.409 227 HA SER 26 HA SER 26 -17.811 -3.600 2.321 228 HB2 SER 26 HB2 SER 26 -17.845 -5.695 3.422 229 HB3 SER 26 HB3 SER 26 -17.762 -4.878 4.990 230 HG SER 26 HG SER 26 -19.849 -4.604 4.915 231 H ASP 27 H ASP 27 -16.789 -2.695 5.393 232 HA ASP 27 HA ASP 27 -17.119 -0.830 6.626 233 HB2 ASP 27 HB2 ASP 27 -16.882 0.768 5.202 234 HB3 ASP 27 HB3 ASP 27 -17.639 -0.189 3.931 235 H1 LYS 1 H1 LYS 1 -17.132 5.858 3.711 236 H2 LYS 1 H2 LYS 1 -16.086 7.094 3.142 237 H3 LYS 1 H3 LYS 1 -16.096 6.675 4.807 238 HA LYS 1 HA LYS 1 -15.299 4.900 2.598 239 HB2 LYS 1 HB2 LYS 1 -13.027 5.312 3.307 240 HB3 LYS 1 HB3 LYS 1 -13.800 6.848 2.950 241 HG2 LYS 1 HG2 LYS 1 -13.505 7.598 5.027 242 HG3 LYS 1 HG3 LYS 1 -14.043 6.080 5.749 243 HD2 LYS 1 HD2 LYS 1 -11.864 6.019 6.405 244 HD3 LYS 1 HD3 LYS 1 -11.685 5.267 4.822 245 HE2 LYS 1 HE2 LYS 1 -11.340 8.207 5.347 246 HE3 LYS 1 HE3 LYS 1 -10.019 7.043 5.334 247 HZ1 LYS 1 HZ1 LYS 1 -10.843 6.469 3.007 248 HZ2 LYS 1 HZ2 LYS 1 -10.028 7.938 3.201 249 HZ3 LYS 1 HZ3 LYS 1 -11.714 7.919 3.079 250 H LEU 2 H LEU 2 -13.888 3.098 3.544 251 HA LEU 2 HA LEU 2 -15.263 1.388 5.016 252 HB2 LEU 2 HB2 LEU 2 -13.402 0.050 5.185 253 HB3 LEU 2 HB3 LEU 2 -13.131 1.031 3.770 254 HG LEU 2 HG LEU 2 -11.846 1.238 6.429 255 HD11 LEU 2 HD11 LEU 2 -11.022 0.771 3.628 256 HD12 LEU 2 HD12 LEU 2 -10.557 -0.130 5.074 257 HD13 LEU 2 HD13 LEU 2 -9.890 1.496 4.773 258 HD21 LEU 2 HD21 LEU 2 -11.534 3.171 4.231 259 HD22 LEU 2 HD22 LEU 2 -10.983 3.293 5.904 260 HD23 LEU 2 HD23 LEU 2 -12.721 3.357 5.556 261 HA PRO 3 HA PRO 3 -15.708 1.554 9.337 262 HB2 PRO 3 HB2 PRO 3 -13.918 -0.736 9.503 263 HB3 PRO 3 HB3 PRO 3 -15.572 -0.551 10.072 264 HG2 PRO 3 HG2 PRO 3 -14.988 -1.940 7.871 265 HG3 PRO 3 HG3 PRO 3 -16.471 -1.004 8.015 266 HD2 PRO 3 HD2 PRO 3 -14.016 -0.430 6.463 267 HD3 PRO 3 HD3 PRO 3 -15.673 -0.006 6.129 268 HA PRO 4 HA PRO 4 -12.616 3.344 11.851 269 HB2 PRO 4 HB2 PRO 4 -13.539 1.302 13.706 270 HB3 PRO 4 HB3 PRO 4 -13.298 3.005 13.952 271 HG2 PRO 4 HG2 PRO 4 -15.695 2.320 13.640 272 HG3 PRO 4 HG3 PRO 4 -15.094 3.540 12.531 273 HD2 PRO 4 HD2 PRO 4 -15.260 0.663 12.061 274 HD3 PRO 4 HD3 PRO 4 -15.973 1.967 11.153 275 H GLY 5 H GLY 5 -10.666 3.066 12.690 276 HA2 GLY 5 HA2 GLY 5 -8.665 2.010 13.138 277 HA3 GLY 5 HA3 GLY 5 -9.517 0.500 12.920 278 H TRP 6 H TRP 6 -10.488 1.314 10.202 279 HA TRP 6 HA TRP 6 -8.329 0.280 8.703 280 HB2 TRP 6 HB2 TRP 6 -11.055 1.234 8.111 281 HB3 TRP 6 HB3 TRP 6 -9.949 1.138 6.803 282 HD1 TRP 6 HD1 TRP 6 -12.584 -0.553 8.126 283 HE1 TRP 6 HE1 TRP 6 -12.551 -3.089 7.807 284 HE3 TRP 6 HE3 TRP 6 -7.883 -1.000 6.612 285 HZ2 TRP 6 HZ2 TRP 6 -10.650 -5.038 6.920 286 HZ3 TRP 6 HZ3 TRP 6 -6.999 -3.163 6.007 287 HH2 TRP 6 HH2 TRP 6 -8.311 -5.103 6.108 288 H GLU 7 H GLU 7 -7.224 1.291 7.047 289 HA GLU 7 HA GLU 7 -7.608 4.026 6.422 290 HB2 GLU 7 HB2 GLU 7 -5.258 4.722 7.061 291 HB3 GLU 7 HB3 GLU 7 -6.444 4.641 8.352 292 HG2 GLU 7 HG2 GLU 7 -5.534 2.537 9.116 293 HG3 GLU 7 HG3 GLU 7 -4.414 2.494 7.754 294 H LYS 8 H LYS 8 -7.529 3.754 4.372 295 HA LYS 8 HA LYS 8 -6.196 1.805 2.945 296 HB2 LYS 8 HB2 LYS 8 -7.918 3.633 2.060 297 HB3 LYS 8 HB3 LYS 8 -6.491 4.646 1.826 298 HG2 LYS 8 HG2 LYS 8 -5.516 2.838 0.379 299 HG3 LYS 8 HG3 LYS 8 -7.069 2.012 0.479 300 HD2 LYS 8 HD2 LYS 8 -7.989 4.364 -0.281 301 HD3 LYS 8 HD3 LYS 8 -6.348 4.550 -0.901 302 HE2 LYS 8 HE2 LYS 8 -7.846 2.044 -1.504 303 HE3 LYS 8 HE3 LYS 8 -8.254 3.513 -2.387 304 HZ1 LYS 8 HZ1 LYS 8 -5.956 3.696 -3.093 305 HZ2 LYS 8 HZ2 LYS 8 -6.590 2.196 -3.549 306 HZ3 LYS 8 HZ3 LYS 8 -5.545 2.302 -2.224 307 H ARG 9 H ARG 9 -4.026 1.473 2.590 308 HA ARG 9 HA ARG 9 -2.185 3.772 2.724 309 HB2 ARG 9 HB2 ARG 9 -1.951 1.120 4.131 310 HB3 ARG 9 HB3 ARG 9 -0.537 2.110 3.797 311 HG2 ARG 9 HG2 ARG 9 -1.039 3.608 5.399 312 HG3 ARG 9 HG3 ARG 9 -2.776 3.502 5.107 313 HD2 ARG 9 HD2 ARG 9 -1.966 2.621 7.343 314 HD3 ARG 9 HD3 ARG 9 -2.953 1.520 6.406 315 HE ARG 9 HE ARG 9 -1.205 0.144 6.237 316 HH11 ARG 9 HH11 ARG 9 0.016 3.275 7.262 317 HH12 ARG 9 HH12 ARG 9 1.497 2.607 7.858 318 HH21 ARG 9 HH21 ARG 9 0.564 -0.655 7.048 319 HH22 ARG 9 HH22 ARG 9 1.837 0.309 7.721 320 H CYS 10 H CYS 10 -0.266 3.603 1.441 321 HA CYS 10 HA CYS 10 0.035 1.246 -0.234 322 HB2 CYS 10 HB2 CYS 10 -1.618 2.523 -1.503 323 HB3 CYS 10 HB3 CYS 10 -0.589 3.945 -1.458 324 H PHE 11 H PHE 11 2.078 0.775 -0.326 325 HA PHE 11 HA PHE 11 4.016 2.964 -0.554 326 HB2 PHE 11 HB2 PHE 11 5.650 1.798 0.783 327 HB3 PHE 11 HB3 PHE 11 4.140 1.831 1.701 328 HD1 PHE 11 HD1 PHE 11 6.290 -0.255 -0.455 329 HD2 PHE 11 HD2 PHE 11 3.148 -0.193 2.436 330 HE1 PHE 11 HE1 PHE 11 6.474 -2.711 -0.198 331 HE2 PHE 11 HE2 PHE 11 3.321 -2.645 2.686 332 HZ PHE 11 HZ PHE 11 4.985 -3.905 1.367 333 H TYR 12 H TYR 12 5.351 2.795 -2.265 334 HA TYR 12 HA TYR 12 5.001 0.655 -4.157 335 HB2 TYR 12 HB2 TYR 12 6.477 3.248 -4.086 336 HB3 TYR 12 HB3 TYR 12 7.150 1.999 -5.126 337 HD1 TYR 12 HD1 TYR 12 5.791 1.070 -6.986 338 HD2 TYR 12 HD2 TYR 12 4.376 4.356 -4.680 339 HE1 TYR 12 HE1 TYR 12 4.254 1.586 -8.720 340 HE2 TYR 12 HE2 TYR 12 2.766 4.897 -6.404 341 HH TYR 12 HH TYR 12 2.364 4.521 -8.763 342 H PHE 13 H PHE 13 6.505 -1.024 -4.544 343 HA PHE 13 HA PHE 13 8.842 -1.043 -2.707 344 HB2 PHE 13 HB2 PHE 13 6.978 -2.723 -2.137 345 HB3 PHE 13 HB3 PHE 13 7.474 -3.580 -3.598 346 HD1 PHE 13 HD2 PHE 13 8.663 -2.321 -0.348 347 HD2 PHE 13 HD1 PHE 13 9.438 -4.961 -3.592 348 HE1 PHE 13 HE2 PHE 13 10.435 -3.388 0.955 349 HE2 PHE 13 HE1 PHE 13 11.201 -6.068 -2.307 350 HZ PHE 13 HZ PHE 13 11.717 -5.280 -0.010 351 H ASN 14 H ASN 14 10.642 -1.004 -3.735 352 HA ASN 14 HA ASN 14 10.674 -1.812 -6.512 353 HB2 ASN 14 HB2 ASN 14 11.713 0.353 -6.069 354 HB3 ASN 14 HB3 ASN 14 12.811 -0.345 -4.943 355 HD21 ASN 14 HD21 ASN 14 12.248 0.395 -8.162 356 HD22 ASN 14 HD22 ASN 14 13.648 -0.338 -8.840 357 H ARG 15 H ARG 15 10.437 -4.054 -5.844 358 HA ARG 15 HA ARG 15 11.915 -5.476 -4.117 359 HB2 ARG 15 HB2 ARG 15 10.527 -6.988 -4.897 360 HB3 ARG 15 HB3 ARG 15 10.353 -6.167 -6.443 361 HG2 ARG 15 HG2 ARG 15 12.131 -7.347 -7.404 362 HG3 ARG 15 HG3 ARG 15 12.732 -7.885 -5.835 363 HD2 ARG 15 HD2 ARG 15 10.026 -8.688 -6.875 364 HD3 ARG 15 HD3 ARG 15 11.485 -9.604 -7.253 365 HE ARG 15 HE ARG 15 10.050 -9.588 -4.780 366 HH11 ARG 15 HH11 ARG 15 13.231 -10.025 -6.184 367 HH12 ARG 15 HH12 ARG 15 13.804 -11.007 -4.879 368 HH21 ARG 15 HH21 ARG 15 10.815 -10.879 -3.066 369 HH22 ARG 15 HH22 ARG 15 12.434 -11.493 -3.110 370 H ILE 16 H ILE 16 13.369 -4.104 -7.046 371 HA ILE 16 HA ILE 16 15.518 -5.848 -7.223 372 HB ILE 16 HB ILE 16 15.107 -3.003 -7.941 373 HG12 ILE 16 HG12 ILE 16 14.329 -3.807 -9.839 374 HG13 ILE 16 HG13 ILE 16 15.739 -4.781 -10.064 375 HG21 ILE 16 HG21 ILE 16 17.359 -3.297 -7.311 376 HG22 ILE 16 HG22 ILE 16 17.286 -3.258 -9.091 377 HG23 ILE 16 HG23 ILE 16 17.453 -4.800 -8.236 378 HD11 ILE 16 HD11 ILE 16 13.115 -5.612 -9.723 379 HD12 ILE 16 HD12 ILE 16 13.955 -6.044 -8.226 380 HD13 ILE 16 HD13 ILE 16 14.564 -6.620 -9.773 381 H THR 17 H THR 17 14.955 -2.777 -5.761 382 HA THR 17 HA THR 17 17.271 -2.979 -4.118 383 HB THR 17 HB THR 17 17.265 -0.651 -3.975 384 HG1 THR 17 HG1 THR 17 14.923 -0.538 -3.664 385 HG21 THR 17 HG21 THR 17 17.929 -1.682 -6.084 386 HG22 THR 17 HG22 THR 17 17.347 -0.022 -6.275 387 HG23 THR 17 HG23 THR 17 16.306 -1.400 -6.722 388 H GLY 18 H GLY 18 14.572 -4.231 -3.948 389 HA2 GLY 18 HA2 GLY 18 12.769 -4.429 -2.554 390 HA3 GLY 18 HA3 GLY 18 14.002 -4.723 -1.375 391 H LYS 19 H LYS 19 13.623 -1.716 -3.025 392 HA LYS 19 HA LYS 19 13.484 -0.166 -0.696 393 HB2 LYS 19 HB2 LYS 19 13.434 0.255 -3.565 394 HB3 LYS 19 HB3 LYS 19 12.626 1.481 -2.591 395 HG2 LYS 19 HG2 LYS 19 14.648 1.701 -1.271 396 HG3 LYS 19 HG3 LYS 19 15.458 0.558 -2.377 397 HD2 LYS 19 HD2 LYS 19 15.712 2.133 -3.972 398 HD3 LYS 19 HD3 LYS 19 14.104 2.808 -3.699 399 HE2 LYS 19 HE2 LYS 19 15.442 3.535 -1.422 400 HE3 LYS 19 HE3 LYS 19 16.703 3.645 -2.649 401 HZ1 LYS 19 HZ1 LYS 19 15.304 5.112 -3.935 402 HZ2 LYS 19 HZ2 LYS 19 15.490 5.733 -2.373 403 HZ3 LYS 19 HZ3 LYS 19 14.047 4.967 -2.811 404 H ARG 20 H ARG 20 11.881 1.305 -0.090 405 HA ARG 20 HA ARG 20 9.209 0.811 -1.030 406 HB2 ARG 20 HB2 ARG 20 8.209 0.523 1.078 407 HB3 ARG 20 HB3 ARG 20 9.580 -0.616 0.942 408 HG2 ARG 20 HG2 ARG 20 9.932 2.018 2.311 409 HG3 ARG 20 HG3 ARG 20 9.215 0.651 3.162 410 HD2 ARG 20 HD2 ARG 20 11.199 -0.694 2.669 411 HD3 ARG 20 HD3 ARG 20 11.918 0.674 1.822 412 HE ARG 20 HE ARG 20 11.763 0.274 4.665 413 HH11 ARG 20 HH11 ARG 20 12.106 2.664 2.127 414 HH12 ARG 20 HH12 ARG 20 12.884 3.820 3.154 415 HH21 ARG 20 HH21 ARG 20 12.788 1.802 6.011 416 HH22 ARG 20 HH22 ARG 20 13.272 3.332 5.358 417 H GLN 21 H GLN 21 7.949 2.467 -1.111 418 HA GLN 21 HA GLN 21 8.442 4.855 0.409 419 HB2 GLN 21 HB2 GLN 21 8.243 5.733 -2.224 420 HB3 GLN 21 HB3 GLN 21 9.560 5.983 -1.123 421 HG2 GLN 21 HG2 GLN 21 10.378 3.719 -1.877 422 HG3 GLN 21 HG3 GLN 21 9.158 3.807 -3.106 423 HE21 GLN 21 HE21 GLN 21 9.244 5.904 -4.379 424 HE22 GLN 21 HE22 GLN 21 10.815 6.406 -4.849 425 H PHE 22 H PHE 22 6.528 6.131 0.481 426 HA PHE 22 HA PHE 22 4.162 4.789 -0.546 427 HB2 PHE 22 HB2 PHE 22 4.652 7.172 1.195 428 HB3 PHE 22 HB3 PHE 22 3.107 7.044 0.375 429 HD1 PHE 22 HD2 PHE 22 5.130 4.259 1.764 430 HD2 PHE 22 HD1 PHE 22 1.637 6.656 2.175 431 HE1 PHE 22 HE2 PHE 22 4.319 2.766 3.533 432 HE2 PHE 22 HE1 PHE 22 0.817 5.169 3.943 433 HZ PHE 22 HZ PHE 22 2.166 3.232 4.610 434 H GLU 23 H GLU 23 5.937 5.606 -2.544 435 HA GLU 23 HA GLU 23 4.441 7.546 -4.121 436 HB2 GLU 23 HB2 GLU 23 6.080 9.025 -3.778 437 HB3 GLU 23 HB3 GLU 23 7.055 7.819 -2.924 438 HG2 GLU 23 HG2 GLU 23 7.918 6.989 -5.052 439 HG3 GLU 23 HG3 GLU 23 6.927 8.164 -5.911 440 H ARG 24 H ARG 24 4.806 7.544 -6.258 441 HA ARG 24 HA ARG 24 5.953 5.105 -7.383 442 HB2 ARG 24 HB2 ARG 24 3.685 5.708 -8.083 443 HB3 ARG 24 HB3 ARG 24 4.274 7.257 -8.678 444 HG2 ARG 24 HG2 ARG 24 5.844 5.940 -10.101 445 HG3 ARG 24 HG3 ARG 24 4.869 4.513 -9.698 446 HD2 ARG 24 HD2 ARG 24 3.016 5.318 -10.811 447 HD3 ARG 24 HD3 ARG 24 3.550 6.995 -10.695 448 HE ARG 24 HE ARG 24 4.209 5.069 -12.724 449 HH11 ARG 24 HH11 ARG 24 5.180 8.061 -11.184 450 HH12 ARG 24 HH12 ARG 24 6.092 8.616 -12.546 451 HH21 ARG 24 HH21 ARG 24 5.422 5.816 -14.528 452 HH22 ARG 24 HH22 ARG 24 6.229 7.344 -14.440 453 HA PRO 25 HA PRO 25 9.612 7.591 -7.178 454 HB2 PRO 25 HB2 PRO 25 10.690 5.444 -8.704 455 HB3 PRO 25 HB3 PRO 25 11.168 6.082 -7.161 456 HG2 PRO 25 HG2 PRO 25 9.843 3.755 -7.421 457 HG3 PRO 25 HG3 PRO 25 9.736 4.733 -6.025 458 HD2 PRO 25 HD2 PRO 25 7.703 4.279 -8.047 459 HD3 PRO 25 HD3 PRO 25 7.589 4.822 -6.369 460 H SER 26 H SER 26 10.708 8.870 -8.261 461 HA SER 26 HA SER 26 9.885 10.103 -10.495 462 HB2 SER 26 HB2 SER 26 11.411 11.093 -8.968 463 HB3 SER 26 HB3 SER 26 12.624 9.883 -9.413 464 HG SER 26 HG SER 26 13.108 11.025 -11.125 465 H ASP 27 H ASP 27 12.047 7.587 -10.157 466 HA ASP 27 HA ASP 27 12.742 5.982 -11.606 467 HB2 ASP 27 HB2 ASP 27 11.126 5.578 -12.979 468 HB3 ASP 27 HB3 ASP 27 10.534 7.225 -12.797 Start of MODEL 28 1 H1 LYS 1 H1 LYS 1 4.820 4.700 -17.780 2 H2 LYS 1 H2 LYS 1 6.506 4.609 -17.471 3 H3 LYS 1 H3 LYS 1 5.524 5.690 -16.571 4 HA LYS 1 HA LYS 1 4.411 3.948 -15.514 5 HB2 LYS 1 HB2 LYS 1 4.958 1.600 -16.023 6 HB3 LYS 1 HB3 LYS 1 4.287 2.433 -17.417 7 HG2 LYS 1 HG2 LYS 1 7.215 2.493 -17.262 8 HG3 LYS 1 HG3 LYS 1 6.516 0.884 -17.450 9 HD2 LYS 1 HD2 LYS 1 5.390 1.522 -19.452 10 HD3 LYS 1 HD3 LYS 1 5.776 3.223 -19.198 11 HE2 LYS 1 HE2 LYS 1 7.505 2.887 -20.532 12 HE3 LYS 1 HE3 LYS 1 8.241 2.023 -19.185 13 HZ1 LYS 1 HZ1 LYS 1 8.333 0.656 -21.127 14 HZ2 LYS 1 HZ2 LYS 1 6.677 0.840 -21.415 15 HZ3 LYS 1 HZ3 LYS 1 7.208 -0.029 -20.064 16 H LEU 2 H LEU 2 5.344 2.483 -13.813 17 HA LEU 2 HA LEU 2 7.288 3.645 -12.306 18 HB2 LEU 2 HB2 LEU 2 6.377 0.831 -12.550 19 HB3 LEU 2 HB3 LEU 2 7.626 1.298 -11.434 20 HG LEU 2 HG LEU 2 4.831 2.391 -11.410 21 HD11 LEU 2 HD11 LEU 2 5.433 0.920 -9.108 22 HD12 LEU 2 HD12 LEU 2 6.018 -0.033 -10.482 23 HD13 LEU 2 HD13 LEU 2 4.333 0.484 -10.432 24 HD21 LEU 2 HD21 LEU 2 6.176 2.625 -8.943 25 HD22 LEU 2 HD22 LEU 2 5.607 3.925 -9.997 26 HD23 LEU 2 HD23 LEU 2 7.242 3.289 -10.176 27 HA PRO 3 HA PRO 3 11.360 2.614 -13.772 28 HB2 PRO 3 HB2 PRO 3 12.179 2.629 -11.028 29 HB3 PRO 3 HB3 PRO 3 12.566 3.773 -12.307 30 HG2 PRO 3 HG2 PRO 3 10.964 4.453 -10.271 31 HG3 PRO 3 HG3 PRO 3 10.737 5.069 -11.897 32 HD2 PRO 3 HD2 PRO 3 9.252 2.838 -10.530 33 HD3 PRO 3 HD3 PRO 3 8.658 4.212 -11.460 34 HA PRO 4 HA PRO 4 12.151 -1.642 -13.356 35 HB2 PRO 4 HB2 PRO 4 14.762 -0.675 -12.502 36 HB3 PRO 4 HB3 PRO 4 14.349 -1.972 -13.583 37 HG2 PRO 4 HG2 PRO 4 14.998 0.178 -14.724 38 HG3 PRO 4 HG3 PRO 4 13.427 -0.473 -15.153 39 HD2 PRO 4 HD2 PRO 4 14.014 1.625 -13.216 40 HD3 PRO 4 HD3 PRO 4 12.901 1.635 -14.555 41 H GLY 5 H GLY 5 12.046 -3.208 -12.036 42 HA2 GLY 5 HA2 GLY 5 11.908 -4.386 -10.090 43 HA3 GLY 5 HA3 GLY 5 12.955 -3.171 -9.406 44 H TRP 6 H TRP 6 10.559 -1.215 -10.335 45 HA TRP 6 HA TRP 6 9.380 -1.214 -7.720 46 HB2 TRP 6 HB2 TRP 6 9.320 0.542 -10.070 47 HB3 TRP 6 HB3 TRP 6 7.998 0.696 -8.966 48 HD1 TRP 6 HD1 TRP 6 10.945 2.249 -9.813 49 HE1 TRP 6 HE1 TRP 6 12.004 3.582 -7.908 50 HE3 TRP 6 HE3 TRP 6 8.396 0.252 -6.031 51 HZ2 TRP 6 HZ2 TRP 6 11.708 3.734 -5.062 52 HZ3 TRP 6 HZ3 TRP 6 8.823 0.991 -3.773 53 HH2 TRP 6 HH2 TRP 6 10.377 2.655 -3.300 54 H GLU 7 H GLU 7 7.218 -1.330 -7.255 55 HA GLU 7 HA GLU 7 5.245 -1.891 -9.226 56 HB2 GLU 7 HB2 GLU 7 4.515 -4.077 -8.165 57 HB3 GLU 7 HB3 GLU 7 5.988 -4.161 -9.116 58 HG2 GLU 7 HG2 GLU 7 6.271 -3.691 -6.201 59 HG3 GLU 7 HG3 GLU 7 5.747 -5.286 -6.724 60 H LYS 8 H LYS 8 3.489 -0.877 -8.578 61 HA LYS 8 HA LYS 8 3.381 0.223 -5.941 62 HB2 LYS 8 HB2 LYS 8 2.468 1.348 -8.125 63 HB3 LYS 8 HB3 LYS 8 1.117 0.212 -8.011 64 HG2 LYS 8 HG2 LYS 8 1.563 1.633 -5.500 65 HG3 LYS 8 HG3 LYS 8 1.218 2.709 -6.854 66 HD2 LYS 8 HD2 LYS 8 -0.458 0.273 -6.363 67 HD3 LYS 8 HD3 LYS 8 -0.751 1.769 -5.474 68 HE2 LYS 8 HE2 LYS 8 -2.137 2.146 -7.235 69 HE3 LYS 8 HE3 LYS 8 -0.649 2.786 -7.930 70 HZ1 LYS 8 HZ1 LYS 8 -0.471 1.066 -9.366 71 HZ2 LYS 8 HZ2 LYS 8 -2.150 1.013 -9.173 72 HZ3 LYS 8 HZ3 LYS 8 -1.167 -0.061 -8.312 73 H ARG 9 H ARG 9 2.419 -0.628 -4.200 74 HA ARG 9 HA ARG 9 0.315 -2.657 -4.526 75 HB2 ARG 9 HB2 ARG 9 2.743 -3.528 -3.969 76 HB3 ARG 9 HB3 ARG 9 2.336 -2.995 -2.344 77 HG2 ARG 9 HG2 ARG 9 0.721 -4.595 -2.070 78 HG3 ARG 9 HG3 ARG 9 0.409 -4.733 -3.800 79 HD2 ARG 9 HD2 ARG 9 2.787 -5.810 -2.297 80 HD3 ARG 9 HD3 ARG 9 1.516 -6.736 -3.065 81 HE ARG 9 HE ARG 9 3.809 -5.616 -4.252 82 HH11 ARG 9 HH11 ARG 9 0.471 -6.476 -4.929 83 HH12 ARG 9 HH12 ARG 9 0.838 -7.024 -6.529 84 HH21 ARG 9 HH21 ARG 9 4.247 -6.380 -6.167 85 HH22 ARG 9 HH22 ARG 9 3.041 -6.954 -7.271 86 H CYS 10 H CYS 10 -1.416 -2.349 -3.195 87 HA CYS 10 HA CYS 10 -1.025 -0.585 -0.876 88 HB2 CYS 10 HB2 CYS 10 -1.936 0.800 -2.668 89 HB3 CYS 10 HB3 CYS 10 -3.257 -0.334 -2.903 90 H PHE 11 H PHE 11 -1.490 -1.689 0.860 91 HA PHE 11 HA PHE 11 -3.876 -3.401 0.820 92 HB2 PHE 11 HB2 PHE 11 -2.943 -4.782 2.560 93 HB3 PHE 11 HB3 PHE 11 -1.706 -4.605 1.311 94 HD1 PHE 11 HD2 PHE 11 -2.814 -3.402 4.616 95 HD2 PHE 11 HD1 PHE 11 0.413 -3.700 1.857 96 HE1 PHE 11 HE2 PHE 11 -1.254 -2.632 6.361 97 HE2 PHE 11 HE1 PHE 11 1.976 -2.929 3.595 98 HZ PHE 11 HZ PHE 11 1.143 -2.394 5.850 99 H TYR 12 H TYR 12 -5.477 -2.907 2.227 100 HA TYR 12 HA TYR 12 -5.339 -0.437 3.710 101 HB2 TYR 12 HB2 TYR 12 -7.460 -2.426 3.036 102 HB3 TYR 12 HB3 TYR 12 -7.690 -1.505 4.516 103 HD1 TYR 12 HD2 TYR 12 -7.970 0.935 4.428 104 HD2 TYR 12 HD1 TYR 12 -7.554 -1.296 0.844 105 HE1 TYR 12 HE2 TYR 12 -8.863 2.764 3.221 106 HE2 TYR 12 HE1 TYR 12 -8.400 0.555 -0.434 107 HH TYR 12 HH TYR 12 -9.540 2.585 -0.255 108 H PHE 13 H PHE 13 -5.356 -0.283 6.003 109 HA PHE 13 HA PHE 13 -5.057 -2.861 7.461 110 HB2 PHE 13 HB2 PHE 13 -2.838 -1.582 7.080 111 HB3 PHE 13 HB3 PHE 13 -3.466 -0.430 8.261 112 HD1 PHE 13 HD2 PHE 13 -2.351 -3.849 7.714 113 HD2 PHE 13 HD1 PHE 13 -3.704 -1.058 10.615 114 HE1 PHE 13 HE2 PHE 13 -1.573 -5.325 9.491 115 HE2 PHE 13 HE1 PHE 13 -2.891 -2.484 12.407 116 HZ PHE 13 HZ PHE 13 -1.826 -4.653 11.860 117 H ASN 14 H ASN 14 -6.650 -2.988 8.837 118 HA ASN 14 HA ASN 14 -7.795 -0.566 9.898 119 HB2 ASN 14 HB2 ASN 14 -9.481 -2.231 10.925 120 HB3 ASN 14 HB3 ASN 14 -9.582 -1.887 9.231 121 HD21 ASN 14 HD21 ASN 14 -10.855 -4.008 10.007 122 HD22 ASN 14 HD22 ASN 14 -10.013 -5.451 9.571 123 H ARG 15 H ARG 15 -6.106 -0.094 11.369 124 HA ARG 15 HA ARG 15 -4.884 -1.871 13.028 125 HB2 ARG 15 HB2 ARG 15 -3.823 0.109 12.984 126 HB3 ARG 15 HB3 ARG 15 -5.297 1.062 13.160 127 HG2 ARG 15 HG2 ARG 15 -5.395 0.658 15.474 128 HG3 ARG 15 HG3 ARG 15 -4.158 -0.596 15.382 129 HD2 ARG 15 HD2 ARG 15 -3.724 2.335 14.790 130 HD3 ARG 15 HD3 ARG 15 -3.282 1.531 16.295 131 HE ARG 15 HE ARG 15 -1.516 0.477 15.202 132 HH11 ARG 15 HH11 ARG 15 -3.368 2.437 12.959 133 HH12 ARG 15 HH12 ARG 15 -2.161 2.374 11.722 134 HH21 ARG 15 HH21 ARG 15 0.065 0.403 13.564 135 HH22 ARG 15 HH22 ARG 15 -0.213 1.222 12.064 136 H ILE 16 H ILE 16 -8.253 -1.163 13.226 137 HA ILE 16 HA ILE 16 -8.630 -1.419 15.970 138 HB ILE 16 HB ILE 16 -10.308 -1.935 13.581 139 HG12 ILE 16 HG12 ILE 16 -10.765 0.213 13.769 140 HG13 ILE 16 HG13 ILE 16 -11.353 -0.050 15.373 141 HG21 ILE 16 HG21 ILE 16 -10.848 -3.524 15.249 142 HG22 ILE 16 HG22 ILE 16 -12.112 -2.269 15.239 143 HG23 ILE 16 HG23 ILE 16 -10.853 -2.263 16.486 144 HD11 ILE 16 HD11 ILE 16 -9.614 0.978 16.308 145 HD12 ILE 16 HD12 ILE 16 -9.409 1.676 14.697 146 HD13 ILE 16 HD13 ILE 16 -8.464 0.263 15.179 147 H THR 17 H THR 17 -8.889 -3.507 13.220 148 HA THR 17 HA THR 17 -8.621 -5.849 14.830 149 HB THR 17 HB THR 17 -9.918 -7.005 13.372 150 HG1 THR 17 HG1 THR 17 -8.578 -6.462 11.541 151 HG21 THR 17 HG21 THR 17 -11.823 -5.675 12.877 152 HG22 THR 17 HG22 THR 17 -10.851 -4.183 12.925 153 HG23 THR 17 HG23 THR 17 -11.102 -5.133 14.395 154 H GLY 18 H GLY 18 -6.708 -3.845 13.789 155 HA2 GLY 18 HA2 GLY 18 -4.851 -3.659 12.457 156 HA3 GLY 18 HA3 GLY 18 -4.328 -4.957 13.486 157 H LYS 19 H LYS 19 -6.934 -5.149 11.134 158 HA LYS 19 HA LYS 19 -5.633 -7.368 9.868 159 HB2 LYS 19 HB2 LYS 19 -8.276 -6.166 9.899 160 HB3 LYS 19 HB3 LYS 19 -7.802 -6.997 8.416 161 HG2 LYS 19 HG2 LYS 19 -7.133 -8.884 9.893 162 HG3 LYS 19 HG3 LYS 19 -8.023 -8.038 11.186 163 HD2 LYS 19 HD2 LYS 19 -9.985 -8.766 10.387 164 HD3 LYS 19 HD3 LYS 19 -9.589 -8.223 8.756 165 HE2 LYS 19 HE2 LYS 19 -8.343 -10.285 8.364 166 HE3 LYS 19 HE3 LYS 19 -8.705 -10.825 10.003 167 HZ1 LYS 19 HZ1 LYS 19 -10.292 -11.890 8.733 168 HZ2 LYS 19 HZ2 LYS 19 -10.521 -10.575 7.694 169 HZ3 LYS 19 HZ3 LYS 19 -11.139 -10.527 9.268 170 H ARG 20 H ARG 20 -5.445 -7.613 7.611 171 HA ARG 20 HA ARG 20 -5.076 -5.110 6.175 172 HB2 ARG 20 HB2 ARG 20 -3.016 -5.779 5.219 173 HB3 ARG 20 HB3 ARG 20 -2.926 -6.004 6.990 174 HG2 ARG 20 HG2 ARG 20 -3.667 -8.314 5.257 175 HG3 ARG 20 HG3 ARG 20 -1.978 -7.824 5.380 176 HD2 ARG 20 HD2 ARG 20 -3.626 -8.240 7.844 177 HD3 ARG 20 HD3 ARG 20 -2.907 -9.612 7.009 178 HE ARG 20 HE ARG 20 -1.367 -7.360 8.134 179 HH11 ARG 20 HH11 ARG 20 -1.644 -10.770 7.331 180 HH12 ARG 20 HH12 ARG 20 -0.111 -11.172 8.020 181 HH21 ARG 20 HH21 ARG 20 0.646 -7.914 9.033 182 HH22 ARG 20 HH22 ARG 20 1.186 -9.558 8.984 183 H GLN 21 H GLN 21 -5.576 -5.036 4.120 184 HA GLN 21 HA GLN 21 -6.157 -7.424 2.618 185 HB2 GLN 21 HB2 GLN 21 -8.390 -5.809 2.259 186 HB3 GLN 21 HB3 GLN 21 -8.346 -7.424 2.891 187 HG2 GLN 21 HG2 GLN 21 -7.838 -6.334 5.110 188 HG3 GLN 21 HG3 GLN 21 -8.242 -4.832 4.337 189 HE21 GLN 21 HE21 GLN 21 -10.399 -4.989 3.109 190 HE22 GLN 21 HE22 GLN 21 -11.674 -5.704 4.003 191 H PHE 22 H PHE 22 -6.120 -6.984 0.351 192 HA PHE 22 HA PHE 22 -4.992 -4.390 -0.339 193 HB2 PHE 22 HB2 PHE 22 -5.663 -6.857 -1.952 194 HB3 PHE 22 HB3 PHE 22 -5.020 -5.394 -2.685 195 HD1 PHE 22 HD2 PHE 22 -2.847 -4.499 -1.246 196 HD2 PHE 22 HD1 PHE 22 -4.119 -8.526 -1.646 197 HE1 PHE 22 HE2 PHE 22 -0.579 -5.257 -0.755 198 HE2 PHE 22 HE1 PHE 22 -1.853 -9.294 -1.155 199 HZ PHE 22 HZ PHE 22 -0.097 -7.652 -0.713 200 H GLU 23 H GLU 23 -7.592 -4.296 0.691 201 HA GLU 23 HA GLU 23 -9.216 -3.177 -1.457 202 HB2 GLU 23 HB2 GLU 23 -10.580 -4.949 -1.302 203 HB3 GLU 23 HB3 GLU 23 -9.644 -5.598 0.052 204 HG2 GLU 23 HG2 GLU 23 -10.899 -4.058 1.558 205 HG3 GLU 23 HG3 GLU 23 -11.920 -3.642 0.187 206 H ARG 24 H ARG 24 -10.910 -1.908 -0.789 207 HA ARG 24 HA ARG 24 -10.509 -0.631 1.803 208 HB2 ARG 24 HB2 ARG 24 -10.415 0.913 -0.001 209 HB3 ARG 24 HB3 ARG 24 -11.937 0.315 -0.661 210 HG2 ARG 24 HG2 ARG 24 -12.937 0.903 1.547 211 HG3 ARG 24 HG3 ARG 24 -11.459 1.825 1.857 212 HD2 ARG 24 HD2 ARG 24 -11.873 3.311 0.117 213 HD3 ARG 24 HD3 ARG 24 -12.989 2.205 -0.682 214 HE ARG 24 HE ARG 24 -13.570 4.105 1.388 215 HH11 ARG 24 HH11 ARG 24 -14.637 1.151 -0.162 216 HH12 ARG 24 HH12 ARG 24 -16.290 1.354 0.307 217 HH21 ARG 24 HH21 ARG 24 -15.763 4.366 2.002 218 HH22 ARG 24 HH22 ARG 24 -16.929 3.176 1.534 219 HA PRO 25 HA PRO 25 -13.570 -3.842 2.737 220 HB2 PRO 25 HB2 PRO 25 -13.437 -2.844 5.333 221 HB3 PRO 25 HB3 PRO 25 -12.812 -4.347 4.698 222 HG2 PRO 25 HG2 PRO 25 -11.392 -1.895 5.284 223 HG3 PRO 25 HG3 PRO 25 -10.762 -3.465 4.949 224 HD2 PRO 25 HD2 PRO 25 -10.467 -1.416 3.236 225 HD3 PRO 25 HD3 PRO 25 -10.503 -3.112 2.784 226 H SER 26 H SER 26 -15.572 -3.980 3.285 227 HA SER 26 HA SER 26 -17.177 -1.741 2.842 228 HB2 SER 26 HB2 SER 26 -19.023 -3.145 2.978 229 HB3 SER 26 HB3 SER 26 -17.744 -4.102 2.218 230 HG SER 26 HG SER 26 -18.948 -5.181 3.939 231 H ASP 27 H ASP 27 -18.731 -1.012 4.017 232 HA ASP 27 HA ASP 27 -18.034 -0.475 6.727 233 HB2 ASP 27 HB2 ASP 27 -18.524 1.558 6.172 234 HB3 ASP 27 HB3 ASP 27 -18.846 0.974 4.538 235 H1 LYS 1 H1 LYS 1 -14.422 7.980 3.181 236 H2 LYS 1 H2 LYS 1 -14.663 7.340 4.755 237 H3 LYS 1 H3 LYS 1 -15.810 7.033 3.516 238 HA LYS 1 HA LYS 1 -14.368 5.674 2.354 239 HB2 LYS 1 HB2 LYS 1 -12.026 5.375 3.034 240 HB3 LYS 1 HB3 LYS 1 -12.373 7.043 2.606 241 HG2 LYS 1 HG2 LYS 1 -12.825 6.979 5.326 242 HG3 LYS 1 HG3 LYS 1 -11.434 5.916 5.110 243 HD2 LYS 1 HD2 LYS 1 -10.074 7.618 4.569 244 HD3 LYS 1 HD3 LYS 1 -11.292 8.387 3.552 245 HE2 LYS 1 HE2 LYS 1 -11.939 8.513 6.378 246 HE3 LYS 1 HE3 LYS 1 -10.391 9.262 6.000 247 HZ1 LYS 1 HZ1 LYS 1 -11.443 10.683 4.413 248 HZ2 LYS 1 HZ2 LYS 1 -12.301 10.802 5.866 249 HZ3 LYS 1 HZ3 LYS 1 -12.927 9.886 4.589 250 H LEU 2 H LEU 2 -13.189 3.592 3.207 251 HA LEU 2 HA LEU 2 -14.844 2.009 4.500 252 HB2 LEU 2 HB2 LEU 2 -13.159 0.427 4.652 253 HB3 LEU 2 HB3 LEU 2 -12.745 1.439 3.297 254 HG LEU 2 HG LEU 2 -11.529 1.430 6.000 255 HD11 LEU 2 HD11 LEU 2 -10.434 -0.156 4.723 256 HD12 LEU 2 HD12 LEU 2 -9.509 1.341 4.442 257 HD13 LEU 2 HD13 LEU 2 -10.684 0.780 3.244 258 HD21 LEU 2 HD21 LEU 2 -10.233 3.272 5.333 259 HD22 LEU 2 HD22 LEU 2 -11.969 3.641 5.206 260 HD23 LEU 2 HD23 LEU 2 -11.001 3.262 3.749 261 HA PRO 3 HA PRO 3 -15.510 1.920 8.764 262 HB2 PRO 3 HB2 PRO 3 -13.850 -0.465 8.927 263 HB3 PRO 3 HB3 PRO 3 -15.509 -0.205 9.440 264 HG2 PRO 3 HG2 PRO 3 -14.859 -1.519 7.173 265 HG3 PRO 3 HG3 PRO 3 -16.358 -0.604 7.355 266 HD2 PRO 3 HD2 PRO 3 -13.967 -0.003 5.767 267 HD3 PRO 3 HD3 PRO 3 -15.597 0.598 5.588 268 HA PRO 4 HA PRO 4 -12.563 3.591 11.477 269 HB2 PRO 4 HB2 PRO 4 -13.585 1.491 13.212 270 HB3 PRO 4 HB3 PRO 4 -13.321 3.177 13.537 271 HG2 PRO 4 HG2 PRO 4 -15.713 2.558 13.083 272 HG3 PRO 4 HG3 PRO 4 -15.037 3.807 12.054 273 HD2 PRO 4 HD2 PRO 4 -15.258 0.958 11.463 274 HD3 PRO 4 HD3 PRO 4 -15.865 2.322 10.566 275 H GLY 5 H GLY 5 -10.654 3.357 12.341 276 HA2 GLY 5 HA2 GLY 5 -8.629 2.401 12.826 277 HA3 GLY 5 HA3 GLY 5 -9.438 0.857 12.717 278 H TRP 6 H TRP 6 -10.350 1.605 9.872 279 HA TRP 6 HA TRP 6 -8.176 0.394 8.534 280 HB2 TRP 6 HB2 TRP 6 -10.829 1.426 7.741 281 HB3 TRP 6 HB3 TRP 6 -9.659 1.167 6.515 282 HD1 TRP 6 HD1 TRP 6 -12.430 -0.276 7.815 283 HE1 TRP 6 HE1 TRP 6 -12.498 -2.839 7.691 284 HE3 TRP 6 HE3 TRP 6 -7.665 -1.016 6.640 285 HZ2 TRP 6 HZ2 TRP 6 -10.615 -4.948 7.082 286 HZ3 TRP 6 HZ3 TRP 6 -6.852 -3.259 6.243 287 HH2 TRP 6 HH2 TRP 6 -8.239 -5.140 6.408 288 H GLU 7 H GLU 7 -6.800 1.251 7.058 289 HA GLU 7 HA GLU 7 -7.107 3.932 6.147 290 HB2 GLU 7 HB2 GLU 7 -4.433 3.538 7.367 291 HB3 GLU 7 HB3 GLU 7 -5.357 5.007 7.119 292 HG2 GLU 7 HG2 GLU 7 -6.561 4.737 9.083 293 HG3 GLU 7 HG3 GLU 7 -6.224 3.009 9.168 294 H LYS 8 H LYS 8 -6.968 3.481 4.150 295 HA LYS 8 HA LYS 8 -5.753 1.424 2.824 296 HB2 LYS 8 HB2 LYS 8 -7.209 3.392 1.827 297 HB3 LYS 8 HB3 LYS 8 -5.700 4.304 1.735 298 HG2 LYS 8 HG2 LYS 8 -4.738 2.643 0.229 299 HG3 LYS 8 HG3 LYS 8 -6.217 1.686 0.325 300 HD2 LYS 8 HD2 LYS 8 -7.462 3.656 -0.578 301 HD3 LYS 8 HD3 LYS 8 -5.913 4.465 -0.807 302 HE2 LYS 8 HE2 LYS 8 -6.321 3.560 -2.897 303 HE3 LYS 8 HE3 LYS 8 -5.279 2.349 -2.154 304 HZ1 LYS 8 HZ1 LYS 8 -7.406 1.602 -3.364 305 HZ2 LYS 8 HZ2 LYS 8 -8.209 2.099 -1.962 306 HZ3 LYS 8 HZ3 LYS 8 -7.028 0.892 -1.876 307 H ARG 9 H ARG 9 -3.638 0.876 2.315 308 HA ARG 9 HA ARG 9 -1.530 2.877 2.823 309 HB2 ARG 9 HB2 ARG 9 -1.935 0.871 4.523 310 HB3 ARG 9 HB3 ARG 9 -0.960 -0.001 3.349 311 HG2 ARG 9 HG2 ARG 9 0.914 1.305 3.743 312 HG3 ARG 9 HG3 ARG 9 -0.030 2.619 4.448 313 HD2 ARG 9 HD2 ARG 9 0.452 -0.085 5.691 314 HD3 ARG 9 HD3 ARG 9 1.182 1.428 6.189 315 HE ARG 9 HE ARG 9 -1.453 0.487 6.718 316 HH11 ARG 9 HH11 ARG 9 0.639 3.309 6.621 317 HH12 ARG 9 HH12 ARG 9 -0.170 4.072 7.947 318 HH21 ARG 9 HH21 ARG 9 -2.367 1.396 8.384 319 HH22 ARG 9 HH22 ARG 9 -1.943 2.968 8.975 320 H CYS 10 H CYS 10 -1.106 3.367 0.686 321 HA CYS 10 HA CYS 10 -0.375 1.126 -1.077 322 HB2 CYS 10 HB2 CYS 10 -0.562 3.837 -2.241 323 HB3 CYS 10 HB3 CYS 10 -1.090 2.290 -2.882 324 H PHE 11 H PHE 11 1.681 0.681 -0.502 325 HA PHE 11 HA PHE 11 3.649 2.852 -0.718 326 HB2 PHE 11 HB2 PHE 11 5.182 1.478 0.561 327 HB3 PHE 11 HB3 PHE 11 3.634 1.498 1.408 328 HD1 PHE 11 HD1 PHE 11 5.849 -0.507 -0.771 329 HD2 PHE 11 HD2 PHE 11 2.432 -0.521 1.794 330 HE1 PHE 11 HE1 PHE 11 5.852 -2.976 -0.782 331 HE2 PHE 11 HE2 PHE 11 2.430 -2.989 1.780 332 HZ PHE 11 HZ PHE 11 4.141 -4.219 0.492 333 H TYR 12 H TYR 12 5.320 2.703 -2.221 334 HA TYR 12 HA TYR 12 4.958 0.734 -4.331 335 HB2 TYR 12 HB2 TYR 12 6.456 3.300 -4.071 336 HB3 TYR 12 HB3 TYR 12 7.129 2.094 -5.168 337 HD1 TYR 12 HD1 TYR 12 4.241 4.298 -4.513 338 HD2 TYR 12 HD2 TYR 12 5.925 1.446 -7.230 339 HE1 TYR 12 HE1 TYR 12 2.615 4.928 -6.155 340 HE2 TYR 12 HE2 TYR 12 4.310 2.076 -8.856 341 HH TYR 12 HH TYR 12 1.863 3.140 -8.807 342 H PHE 13 H PHE 13 6.497 -0.877 -4.798 343 HA PHE 13 HA PHE 13 8.699 -1.102 -2.809 344 HB2 PHE 13 HB2 PHE 13 6.770 -2.813 -2.614 345 HB3 PHE 13 HB3 PHE 13 7.410 -3.498 -4.111 346 HD1 PHE 13 HD2 PHE 13 8.188 -2.714 -0.619 347 HD2 PHE 13 HD1 PHE 13 9.433 -4.827 -4.097 348 HE1 PHE 13 HE2 PHE 13 9.797 -3.969 0.727 349 HE2 PHE 13 HE1 PHE 13 11.017 -6.129 -2.779 350 HZ PHE 13 HZ PHE 13 11.224 -5.700 -0.338 351 H ASN 14 H ASN 14 10.572 -0.911 -3.717 352 HA ASN 14 HA ASN 14 10.785 -1.458 -6.541 353 HB2 ASN 14 HB2 ASN 14 13.246 -0.577 -6.013 354 HB3 ASN 14 HB3 ASN 14 11.930 0.500 -6.350 355 HD21 ASN 14 HD21 ASN 14 13.580 1.926 -5.267 356 HD22 ASN 14 HD22 ASN 14 13.429 2.092 -3.556 357 H ARG 15 H ARG 15 10.691 -3.765 -6.258 358 HA ARG 15 HA ARG 15 12.131 -5.261 -4.515 359 HB2 ARG 15 HB2 ARG 15 10.701 -6.602 -5.557 360 HB3 ARG 15 HB3 ARG 15 10.899 -5.820 -7.125 361 HG2 ARG 15 HG2 ARG 15 12.813 -7.069 -7.629 362 HG3 ARG 15 HG3 ARG 15 13.003 -7.604 -5.958 363 HD2 ARG 15 HD2 ARG 15 10.687 -8.341 -7.747 364 HD3 ARG 15 HD3 ARG 15 12.092 -9.368 -7.457 365 HE ARG 15 HE ARG 15 9.855 -8.954 -5.712 366 HH11 ARG 15 HH11 ARG 15 13.252 -9.811 -5.808 367 HH12 ARG 15 HH12 ARG 15 13.202 -10.667 -4.304 368 HH21 ARG 15 HH21 ARG 15 9.800 -10.082 -3.733 369 HH22 ARG 15 HH22 ARG 15 11.244 -10.821 -3.126 370 H ILE 16 H ILE 16 13.610 -3.334 -7.002 371 HA ILE 16 HA ILE 16 15.921 -4.835 -7.417 372 HB ILE 16 HB ILE 16 15.235 -1.959 -7.576 373 HG12 ILE 16 HG12 ILE 16 14.583 -2.574 -9.595 374 HG13 ILE 16 HG13 ILE 16 16.217 -3.004 -9.954 375 HG21 ILE 16 HG21 ILE 16 17.519 -1.719 -8.507 376 HG22 ILE 16 HG22 ILE 16 17.816 -3.383 -7.978 377 HG23 ILE 16 HG23 ILE 16 17.455 -2.132 -6.778 378 HD11 ILE 16 HD11 ILE 16 14.232 -4.659 -10.341 379 HD12 ILE 16 HD12 ILE 16 14.510 -5.015 -8.633 380 HD13 ILE 16 HD13 ILE 16 15.814 -5.231 -9.798 381 H THR 17 H THR 17 15.004 -2.175 -5.422 382 HA THR 17 HA THR 17 17.197 -2.519 -3.640 383 HB THR 17 HB THR 17 16.921 -0.342 -2.981 384 HG1 THR 17 HG1 THR 17 14.665 -0.560 -2.498 385 HG21 THR 17 HG21 THR 17 15.813 -0.262 -5.766 386 HG22 THR 17 HG22 THR 17 17.479 -0.713 -5.382 387 HG23 THR 17 HG23 THR 17 16.892 0.899 -4.957 388 H GLY 18 H GLY 18 14.543 -3.962 -4.099 389 HA2 GLY 18 HA2 GLY 18 12.674 -4.601 -2.939 390 HA3 GLY 18 HA3 GLY 18 13.896 -5.334 -1.950 391 H LYS 19 H LYS 19 13.271 -1.891 -2.382 392 HA LYS 19 HA LYS 19 12.640 -1.766 0.473 393 HB2 LYS 19 HB2 LYS 19 13.813 0.138 0.670 394 HB3 LYS 19 HB3 LYS 19 14.677 -0.571 -0.711 395 HG2 LYS 19 HG2 LYS 19 13.873 0.949 -2.150 396 HG3 LYS 19 HG3 LYS 19 12.334 1.106 -1.296 397 HD2 LYS 19 HD2 LYS 19 14.899 2.168 -0.147 398 HD3 LYS 19 HD3 LYS 19 13.917 3.123 -1.260 399 HE2 LYS 19 HE2 LYS 19 12.475 3.653 0.351 400 HE3 LYS 19 HE3 LYS 19 12.291 1.965 0.824 401 HZ1 LYS 19 HZ1 LYS 19 14.391 3.850 1.746 402 HZ2 LYS 19 HZ2 LYS 19 14.374 2.197 2.108 403 HZ3 LYS 19 HZ3 LYS 19 13.132 3.197 2.669 404 H ARG 20 H ARG 20 11.243 0.103 1.108 405 HA ARG 20 HA ARG 20 9.066 0.365 -0.821 406 HB2 ARG 20 HB2 ARG 20 7.432 -0.051 0.834 407 HB3 ARG 20 HB3 ARG 20 8.697 -1.293 1.025 408 HG2 ARG 20 HG2 ARG 20 9.645 -0.021 2.890 409 HG3 ARG 20 HG3 ARG 20 8.361 1.176 2.714 410 HD2 ARG 20 HD2 ARG 20 6.736 -0.253 3.509 411 HD3 ARG 20 HD3 ARG 20 7.641 -1.698 3.062 412 HE ARG 20 HE ARG 20 8.688 -1.638 5.095 413 HH11 ARG 20 HH11 ARG 20 7.118 1.449 4.565 414 HH12 ARG 20 HH12 ARG 20 7.425 2.018 6.171 415 HH21 ARG 20 HH21 ARG 20 9.089 -0.881 7.208 416 HH22 ARG 20 HH22 ARG 20 8.544 0.697 7.670 417 H GLN 21 H GLN 21 7.841 2.134 -0.859 418 HA GLN 21 HA GLN 21 8.429 4.310 0.961 419 HB2 GLN 21 HB2 GLN 21 8.200 5.509 -1.506 420 HB3 GLN 21 HB3 GLN 21 9.605 5.475 -0.493 421 HG2 GLN 21 HG2 GLN 21 10.142 3.287 -1.612 422 HG3 GLN 21 HG3 GLN 21 8.859 3.654 -2.718 423 HE21 GLN 21 HE21 GLN 21 9.159 5.369 -4.201 424 HE22 GLN 21 HE22 GLN 21 10.721 6.000 -4.497 425 H PHE 22 H PHE 22 6.669 5.804 1.128 426 HA PHE 22 HA PHE 22 4.129 4.747 0.112 427 HB2 PHE 22 HB2 PHE 22 4.900 6.844 2.115 428 HB3 PHE 22 HB3 PHE 22 3.296 6.885 1.404 429 HD1 PHE 22 HD1 PHE 22 5.168 3.786 2.182 430 HD2 PHE 22 HD2 PHE 22 2.039 6.419 3.373 431 HE1 PHE 22 HE1 PHE 22 4.399 2.127 3.812 432 HE2 PHE 22 HE2 PHE 22 1.266 4.763 5.008 433 HZ PHE 22 HZ PHE 22 2.453 2.629 5.217 434 H GLU 23 H GLU 23 5.912 5.623 -1.784 435 HA GLU 23 HA GLU 23 4.680 7.968 -3.017 436 HB2 GLU 23 HB2 GLU 23 6.656 9.010 -2.822 437 HB3 GLU 23 HB3 GLU 23 7.391 7.562 -2.120 438 HG2 GLU 23 HG2 GLU 23 7.796 6.682 -4.395 439 HG3 GLU 23 HG3 GLU 23 7.107 8.163 -5.055 440 H ARG 24 H ARG 24 4.847 8.155 -5.174 441 HA ARG 24 HA ARG 24 5.195 5.627 -6.565 442 HB2 ARG 24 HB2 ARG 24 3.090 6.601 -7.082 443 HB3 ARG 24 HB3 ARG 24 3.841 8.164 -7.399 444 HG2 ARG 24 HG2 ARG 24 4.796 7.458 -9.338 445 HG3 ARG 24 HG3 ARG 24 4.688 5.752 -8.887 446 HD2 ARG 24 HD2 ARG 24 2.110 6.271 -8.922 447 HD3 ARG 24 HD3 ARG 24 2.600 7.560 -10.019 448 HE ARG 24 HE ARG 24 2.451 4.785 -10.589 449 HH11 ARG 24 HH11 ARG 24 4.252 7.683 -11.379 450 HH12 ARG 24 HH12 ARG 24 4.763 7.092 -12.922 451 HH21 ARG 24 HH21 ARG 24 3.135 4.011 -12.627 452 HH22 ARG 24 HH22 ARG 24 4.131 5.010 -13.631 453 HA PRO 25 HA PRO 25 9.387 7.302 -6.705 454 HB2 PRO 25 HB2 PRO 25 9.895 5.120 -8.386 455 HB3 PRO 25 HB3 PRO 25 10.357 5.349 -6.717 456 HG2 PRO 25 HG2 PRO 25 8.063 3.901 -7.846 457 HG3 PRO 25 HG3 PRO 25 8.877 3.638 -6.323 458 HD2 PRO 25 HD2 PRO 25 6.471 4.699 -6.354 459 HD3 PRO 25 HD3 PRO 25 7.702 5.307 -5.269 460 H SER 26 H SER 26 10.720 8.139 -8.081 461 HA SER 26 HA SER 26 10.203 9.915 -9.822 462 HB2 SER 26 HB2 SER 26 12.444 9.339 -9.344 463 HB3 SER 26 HB3 SER 26 12.278 7.854 -10.288 464 HG SER 26 HG SER 26 12.793 10.424 -11.115 465 H ASP 27 H ASP 27 10.246 6.675 -10.749 466 HA ASP 27 HA ASP 27 9.204 5.525 -12.388 467 HB2 ASP 27 HB2 ASP 27 7.171 6.217 -12.225 468 HB3 ASP 27 HB3 ASP 27 7.717 7.840 -11.802 Start of MODEL 29 1 H1 LYS 1 H1 LYS 1 5.770 4.155 -16.748 2 H2 LYS 1 H2 LYS 1 4.198 3.483 -16.608 3 H3 LYS 1 H3 LYS 1 5.581 2.481 -16.435 4 HA LYS 1 HA LYS 1 4.805 4.695 -14.659 5 HB2 LYS 1 HB2 LYS 1 4.206 2.965 -13.075 6 HB3 LYS 1 HB3 LYS 1 3.311 2.732 -14.568 7 HG2 LYS 1 HG2 LYS 1 5.602 1.200 -14.899 8 HG3 LYS 1 HG3 LYS 1 5.142 0.956 -13.213 9 HD2 LYS 1 HD2 LYS 1 2.901 0.879 -15.099 10 HD3 LYS 1 HD3 LYS 1 4.092 -0.398 -15.337 11 HE2 LYS 1 HE2 LYS 1 2.256 -1.031 -13.813 12 HE3 LYS 1 HE3 LYS 1 3.851 -1.128 -13.072 13 HZ1 LYS 1 HZ1 LYS 1 1.995 -0.066 -11.725 14 HZ2 LYS 1 HZ2 LYS 1 2.138 1.264 -12.758 15 HZ3 LYS 1 HZ3 LYS 1 3.456 0.783 -11.813 16 H LEU 2 H LEU 2 5.919 4.123 -12.432 17 HA LEU 2 HA LEU 2 8.455 4.811 -12.439 18 HB2 LEU 2 HB2 LEU 2 8.602 4.233 -10.203 19 HB3 LEU 2 HB3 LEU 2 6.920 4.569 -10.507 20 HG LEU 2 HG LEU 2 8.208 1.918 -10.168 21 HD11 LEU 2 HD11 LEU 2 6.240 3.571 -8.707 22 HD12 LEU 2 HD12 LEU 2 7.634 2.697 -8.063 23 HD13 LEU 2 HD13 LEU 2 6.184 1.810 -8.596 24 HD21 LEU 2 HD21 LEU 2 6.678 1.997 -12.009 25 HD22 LEU 2 HD22 LEU 2 5.405 2.523 -10.852 26 HD23 LEU 2 HD23 LEU 2 6.157 0.937 -10.684 27 HA PRO 3 HA PRO 3 11.791 2.248 -13.444 28 HB2 PRO 3 HB2 PRO 3 12.432 2.090 -10.607 29 HB3 PRO 3 HB3 PRO 3 13.413 2.631 -11.961 30 HG2 PRO 3 HG2 PRO 3 12.266 4.350 -10.258 31 HG3 PRO 3 HG3 PRO 3 12.503 4.733 -11.960 32 HD2 PRO 3 HD2 PRO 3 10.025 4.056 -10.502 33 HD3 PRO 3 HD3 PRO 3 10.246 5.020 -11.937 34 HA PRO 4 HA PRO 4 11.452 -2.068 -13.094 35 HB2 PRO 4 HB2 PRO 4 14.283 -1.825 -12.471 36 HB3 PRO 4 HB3 PRO 4 13.473 -2.881 -13.587 37 HG2 PRO 4 HG2 PRO 4 14.586 -0.892 -14.644 38 HG3 PRO 4 HG3 PRO 4 12.873 -1.078 -14.974 39 HD2 PRO 4 HD2 PRO 4 14.105 0.604 -12.931 40 HD3 PRO 4 HD3 PRO 4 13.016 1.047 -14.215 41 H GLY 5 H GLY 5 11.325 -3.702 -11.768 42 HA2 GLY 5 HA2 GLY 5 11.307 -4.849 -9.777 43 HA3 GLY 5 HA3 GLY 5 12.384 -3.619 -9.161 44 H TRP 6 H TRP 6 10.403 -1.448 -9.933 45 HA TRP 6 HA TRP 6 9.033 -1.337 -7.473 46 HB2 TRP 6 HB2 TRP 6 9.125 0.336 -9.909 47 HB3 TRP 6 HB3 TRP 6 7.848 0.591 -8.793 48 HD1 TRP 6 HD1 TRP 6 10.814 1.978 -9.725 49 HE1 TRP 6 HE1 TRP 6 12.089 3.196 -7.872 50 HE3 TRP 6 HE3 TRP 6 8.199 0.322 -5.871 51 HZ2 TRP 6 HZ2 TRP 6 11.887 3.421 -5.042 52 HZ3 TRP 6 HZ3 TRP 6 8.718 1.063 -3.644 53 HH2 TRP 6 HH2 TRP 6 10.449 2.572 -3.222 54 H GLU 7 H GLU 7 6.849 -1.335 -7.107 55 HA GLU 7 HA GLU 7 4.954 -1.755 -9.160 56 HB2 GLU 7 HB2 GLU 7 4.062 -3.916 -8.256 57 HB3 GLU 7 HB3 GLU 7 5.544 -4.036 -9.187 58 HG2 GLU 7 HG2 GLU 7 6.830 -4.532 -7.319 59 HG3 GLU 7 HG3 GLU 7 5.644 -3.859 -6.202 60 H LYS 8 H LYS 8 3.670 -0.298 -8.482 61 HA LYS 8 HA LYS 8 3.300 0.664 -5.939 62 HB2 LYS 8 HB2 LYS 8 2.247 1.532 -8.223 63 HB3 LYS 8 HB3 LYS 8 0.928 0.410 -7.870 64 HG2 LYS 8 HG2 LYS 8 0.531 1.552 -5.719 65 HG3 LYS 8 HG3 LYS 8 1.796 2.711 -6.121 66 HD2 LYS 8 HD2 LYS 8 0.481 3.234 -8.215 67 HD3 LYS 8 HD3 LYS 8 -0.829 2.272 -7.528 68 HE2 LYS 8 HE2 LYS 8 -1.430 3.902 -6.123 69 HE3 LYS 8 HE3 LYS 8 0.237 4.227 -5.654 70 HZ1 LYS 8 HZ1 LYS 8 -0.258 6.165 -6.697 71 HZ2 LYS 8 HZ2 LYS 8 -1.379 5.465 -7.752 72 HZ3 LYS 8 HZ3 LYS 8 0.278 5.296 -8.047 73 H ARG 9 H ARG 9 2.349 -0.161 -4.114 74 HA ARG 9 HA ARG 9 0.387 -2.342 -4.366 75 HB2 ARG 9 HB2 ARG 9 2.915 -2.318 -2.746 76 HB3 ARG 9 HB3 ARG 9 1.536 -3.273 -2.222 77 HG2 ARG 9 HG2 ARG 9 1.633 -4.656 -4.112 78 HG3 ARG 9 HG3 ARG 9 2.688 -3.539 -4.979 79 HD2 ARG 9 HD2 ARG 9 3.831 -5.582 -4.055 80 HD3 ARG 9 HD3 ARG 9 4.528 -4.060 -3.541 81 HE ARG 9 HE ARG 9 3.888 -4.501 -1.435 82 HH11 ARG 9 HH11 ARG 9 2.302 -6.804 -3.563 83 HH12 ARG 9 HH12 ARG 9 2.030 -7.940 -2.285 84 HH21 ARG 9 HH21 ARG 9 3.623 -5.936 0.084 85 HH22 ARG 9 HH22 ARG 9 2.783 -7.434 -0.144 86 H CYS 10 H CYS 10 -1.291 -2.302 -2.878 87 HA CYS 10 HA CYS 10 -1.103 -0.386 -0.671 88 HB2 CYS 10 HB2 CYS 10 -2.091 0.923 -2.469 89 HB3 CYS 10 HB3 CYS 10 -3.300 -0.320 -2.752 90 H PHE 11 H PHE 11 -1.672 -1.328 1.118 91 HA PHE 11 HA PHE 11 -3.830 -3.319 1.040 92 HB2 PHE 11 HB2 PHE 11 -2.823 -4.519 2.882 93 HB3 PHE 11 HB3 PHE 11 -1.594 -4.303 1.635 94 HD1 PHE 11 HD2 PHE 11 -2.815 -3.001 4.886 95 HD2 PHE 11 HD1 PHE 11 0.433 -3.213 2.135 96 HE1 PHE 11 HE2 PHE 11 -1.322 -2.013 6.572 97 HE2 PHE 11 HE1 PHE 11 1.926 -2.223 3.822 98 HZ PHE 11 HZ PHE 11 1.048 -1.623 6.041 99 H TYR 12 H TYR 12 -5.476 -3.082 2.531 100 HA TYR 12 HA TYR 12 -5.584 -0.540 3.932 101 HB2 TYR 12 HB2 TYR 12 -7.575 -2.670 3.240 102 HB3 TYR 12 HB3 TYR 12 -7.917 -1.646 4.635 103 HD1 TYR 12 HD2 TYR 12 -7.462 -1.695 0.980 104 HD2 TYR 12 HD1 TYR 12 -8.371 0.759 4.337 105 HE1 TYR 12 HE2 TYR 12 -8.195 0.025 -0.514 106 HE2 TYR 12 HE1 TYR 12 -9.100 2.472 2.873 107 HH TYR 12 HH TYR 12 -8.834 2.219 -0.664 108 H PHE 13 H PHE 13 -5.397 -0.357 6.178 109 HA PHE 13 HA PHE 13 -4.964 -2.923 7.613 110 HB2 PHE 13 HB2 PHE 13 -2.986 -1.252 7.461 111 HB3 PHE 13 HB3 PHE 13 -3.907 -0.286 8.621 112 HD1 PHE 13 HD1 PHE 13 -2.383 -3.577 8.052 113 HD2 PHE 13 HD2 PHE 13 -3.960 -0.902 10.951 114 HE1 PHE 13 HE1 PHE 13 -1.499 -4.991 9.831 115 HE2 PHE 13 HE2 PHE 13 -3.053 -2.266 12.748 116 HZ PHE 13 HZ PHE 13 -1.815 -4.343 12.199 117 H ASN 14 H ASN 14 -6.414 -3.428 8.986 118 HA ASN 14 HA ASN 14 -8.266 -1.366 9.808 119 HB2 ASN 14 HB2 ASN 14 -8.939 -3.693 8.798 120 HB3 ASN 14 HB3 ASN 14 -8.699 -4.276 10.406 121 HD21 ASN 14 HD21 ASN 14 -11.117 -4.661 9.621 122 HD22 ASN 14 HD22 ASN 14 -12.231 -3.490 10.231 123 H ARG 15 H ARG 15 -6.544 -0.570 11.277 124 HA ARG 15 HA ARG 15 -5.226 -1.934 13.179 125 HB2 ARG 15 HB2 ARG 15 -4.480 0.133 13.315 126 HB3 ARG 15 HB3 ARG 15 -6.035 0.853 12.906 127 HG2 ARG 15 HG2 ARG 15 -6.684 1.042 15.084 128 HG3 ARG 15 HG3 ARG 15 -5.685 -0.309 15.618 129 HD2 ARG 15 HD2 ARG 15 -4.844 1.875 16.426 130 HD3 ARG 15 HD3 ARG 15 -3.679 1.028 15.413 131 HE ARG 15 HE ARG 15 -5.162 3.452 14.731 132 HH11 ARG 15 HH11 ARG 15 -2.807 1.029 13.788 133 HH12 ARG 15 HH12 ARG 15 -2.173 1.980 12.490 134 HH21 ARG 15 HH21 ARG 15 -4.314 4.694 13.022 135 HH22 ARG 15 HH22 ARG 15 -3.025 4.058 12.055 136 H ILE 16 H ILE 16 -8.720 -1.650 13.220 137 HA ILE 16 HA ILE 16 -9.137 -2.017 15.947 138 HB ILE 16 HB ILE 16 -10.654 -2.675 13.489 139 HG12 ILE 16 HG12 ILE 16 -11.360 -0.598 13.738 140 HG13 ILE 16 HG13 ILE 16 -12.017 -1.019 15.281 141 HG21 ILE 16 HG21 ILE 16 -11.237 -3.208 16.355 142 HG22 ILE 16 HG22 ILE 16 -11.051 -4.395 15.053 143 HG23 ILE 16 HG23 ILE 16 -12.457 -3.301 15.077 144 HD11 ILE 16 HD11 ILE 16 -9.171 -0.294 15.210 145 HD12 ILE 16 HD12 ILE 16 -10.403 0.064 16.416 146 HD13 ILE 16 HD13 ILE 16 -10.344 0.994 14.913 147 H THR 17 H THR 17 -8.984 -4.032 13.162 148 HA THR 17 HA THR 17 -8.660 -6.441 14.642 149 HB THR 17 HB THR 17 -9.280 -7.569 12.698 150 HG1 THR 17 HG1 THR 17 -7.935 -6.356 11.250 151 HG21 THR 17 HG21 THR 17 -10.954 -6.203 13.919 152 HG22 THR 17 HG22 THR 17 -11.385 -6.637 12.259 153 HG23 THR 17 HG23 THR 17 -10.810 -4.993 12.639 154 H GLY 18 H GLY 18 -6.822 -4.075 13.854 155 HA2 GLY 18 HA2 GLY 18 -4.787 -3.705 12.875 156 HA3 GLY 18 HA3 GLY 18 -4.295 -4.827 14.101 157 H LYS 19 H LYS 19 -6.367 -5.525 11.385 158 HA LYS 19 HA LYS 19 -4.351 -7.348 10.349 159 HB2 LYS 19 HB2 LYS 19 -5.932 -8.859 9.905 160 HB3 LYS 19 HB3 LYS 19 -6.792 -7.993 11.202 161 HG2 LYS 19 HG2 LYS 19 -8.257 -7.064 9.772 162 HG3 LYS 19 HG3 LYS 19 -7.083 -7.003 8.449 163 HD2 LYS 19 HD2 LYS 19 -7.982 -9.681 9.350 164 HD3 LYS 19 HD3 LYS 19 -9.146 -8.702 8.455 165 HE2 LYS 19 HE2 LYS 19 -7.908 -8.744 6.526 166 HE3 LYS 19 HE3 LYS 19 -6.381 -8.948 7.384 167 HZ1 LYS 19 HZ1 LYS 19 -7.027 -11.238 7.879 168 HZ2 LYS 19 HZ2 LYS 19 -6.969 -10.958 6.212 169 HZ3 LYS 19 HZ3 LYS 19 -8.461 -11.035 7.004 170 H ARG 20 H ARG 20 -4.321 -7.695 8.038 171 HA ARG 20 HA ARG 20 -4.845 -5.178 6.651 172 HB2 ARG 20 HB2 ARG 20 -2.802 -5.373 5.448 173 HB3 ARG 20 HB3 ARG 20 -2.461 -5.700 7.167 174 HG2 ARG 20 HG2 ARG 20 -2.888 -8.203 6.318 175 HG3 ARG 20 HG3 ARG 20 -2.281 -7.482 4.825 176 HD2 ARG 20 HD2 ARG 20 -0.401 -6.530 6.304 177 HD3 ARG 20 HD3 ARG 20 -0.924 -7.723 7.490 178 HE ARG 20 HE ARG 20 0.331 -8.254 4.904 179 HH11 ARG 20 HH11 ARG 20 -1.057 -9.527 7.862 180 HH12 ARG 20 HH12 ARG 20 -0.356 -11.095 7.655 181 HH21 ARG 20 HH21 ARG 20 1.246 -10.322 4.644 182 HH22 ARG 20 HH22 ARG 20 0.950 -11.547 5.831 183 H GLN 21 H GLN 21 -5.426 -5.082 4.604 184 HA GLN 21 HA GLN 21 -6.233 -7.563 3.242 185 HB2 GLN 21 HB2 GLN 21 -7.653 -4.988 2.990 186 HB3 GLN 21 HB3 GLN 21 -8.268 -6.596 2.622 187 HG2 GLN 21 HG2 GLN 21 -7.805 -6.565 5.350 188 HG3 GLN 21 HG3 GLN 21 -8.359 -4.986 4.952 189 HE21 GLN 21 HE21 GLN 21 -10.246 -5.061 3.321 190 HE22 GLN 21 HE22 GLN 21 -11.517 -6.106 3.800 191 H PHE 22 H PHE 22 -6.431 -7.177 0.860 192 HA PHE 22 HA PHE 22 -4.652 -5.004 -0.066 193 HB2 PHE 22 HB2 PHE 22 -5.092 -7.796 -0.969 194 HB3 PHE 22 HB3 PHE 22 -4.918 -6.598 -2.245 195 HD1 PHE 22 HD1 PHE 22 -3.247 -6.481 1.038 196 HD2 PHE 22 HD2 PHE 22 -2.805 -7.269 -3.108 197 HE1 PHE 22 HE1 PHE 22 -0.819 -6.529 1.312 198 HE2 PHE 22 HE2 PHE 22 -0.376 -7.326 -2.843 199 HZ PHE 22 HZ PHE 22 0.600 -6.956 -0.633 200 H GLU 23 H GLU 23 -7.345 -4.841 0.760 201 HA GLU 23 HA GLU 23 -8.771 -3.826 -1.565 202 HB2 GLU 23 HB2 GLU 23 -10.204 -5.537 -1.373 203 HB3 GLU 23 HB3 GLU 23 -9.372 -6.120 0.077 204 HG2 GLU 23 HG2 GLU 23 -10.667 -4.531 1.447 205 HG3 GLU 23 HG3 GLU 23 -11.513 -4.008 -0.012 206 H ARG 24 H ARG 24 -10.347 -2.420 -1.196 207 HA ARG 24 HA ARG 24 -10.156 -0.839 1.238 208 HB2 ARG 24 HB2 ARG 24 -10.224 0.380 -0.824 209 HB3 ARG 24 HB3 ARG 24 -11.668 -0.483 -1.339 210 HG2 ARG 24 HG2 ARG 24 -12.985 0.572 0.245 211 HG3 ARG 24 HG3 ARG 24 -11.578 1.189 1.122 212 HD2 ARG 24 HD2 ARG 24 -11.180 2.182 -1.379 213 HD3 ARG 24 HD3 ARG 24 -12.936 2.259 -1.247 214 HE ARG 24 HE ARG 24 -11.034 3.910 0.059 215 HH11 ARG 24 HH11 ARG 24 -14.199 2.471 0.477 216 HH12 ARG 24 HH12 ARG 24 -14.742 3.690 1.580 217 HH21 ARG 24 HH21 ARG 24 -11.757 5.513 1.511 218 HH22 ARG 24 HH22 ARG 24 -13.358 5.417 2.161 219 HA PRO 25 HA PRO 25 -13.116 -3.793 2.811 220 HB2 PRO 25 HB2 PRO 25 -12.836 -2.179 5.124 221 HB3 PRO 25 HB3 PRO 25 -12.518 -3.881 4.920 222 HG2 PRO 25 HG2 PRO 25 -10.535 -2.154 5.258 223 HG3 PRO 25 HG3 PRO 25 -10.382 -3.498 4.189 224 HD2 PRO 25 HD2 PRO 25 -10.870 -0.636 3.463 225 HD3 PRO 25 HD3 PRO 25 -9.850 -1.879 2.699 226 H SER 26 H SER 26 -15.155 -3.821 3.444 227 HA SER 26 HA SER 26 -16.699 -1.603 2.674 228 HB2 SER 26 HB2 SER 26 -17.571 -4.173 3.864 229 HB3 SER 26 HB3 SER 26 -18.596 -2.881 3.210 230 HG SER 26 HG SER 26 -17.252 -4.855 1.899 231 H ASP 27 H ASP 27 -17.922 -0.495 3.662 232 HA ASP 27 HA ASP 27 -17.256 0.721 5.947 233 HB2 ASP 27 HB2 ASP 27 -18.688 2.152 5.186 234 HB3 ASP 27 HB3 ASP 27 -19.077 0.985 3.925 235 H1 LYS 1 H1 LYS 1 -16.748 6.331 2.568 236 H2 LYS 1 H2 LYS 1 -16.688 7.953 3.124 237 H3 LYS 1 H3 LYS 1 -17.203 6.700 4.178 238 HA LYS 1 HA LYS 1 -14.529 6.825 2.963 239 HB2 LYS 1 HB2 LYS 1 -13.772 7.708 5.133 240 HB3 LYS 1 HB3 LYS 1 -14.889 8.808 4.337 241 HG2 LYS 1 HG2 LYS 1 -16.259 6.968 6.110 242 HG3 LYS 1 HG3 LYS 1 -15.027 7.912 6.948 243 HD2 LYS 1 HD2 LYS 1 -16.098 9.900 6.569 244 HD3 LYS 1 HD3 LYS 1 -16.851 9.337 5.078 245 HE2 LYS 1 HE2 LYS 1 -17.620 8.346 7.808 246 HE3 LYS 1 HE3 LYS 1 -18.396 9.713 7.017 247 HZ1 LYS 1 HZ1 LYS 1 -19.729 7.870 6.528 248 HZ2 LYS 1 HZ2 LYS 1 -18.406 6.875 6.181 249 HZ3 LYS 1 HZ3 LYS 1 -18.830 8.120 5.116 250 H LEU 2 H LEU 2 -12.974 5.573 4.377 251 HA LEU 2 HA LEU 2 -13.597 2.908 4.547 252 HB2 LEU 2 HB2 LEU 2 -11.610 4.602 5.963 253 HB3 LEU 2 HB3 LEU 2 -11.747 2.893 6.258 254 HG LEU 2 HG LEU 2 -11.140 4.092 3.578 255 HD11 LEU 2 HD11 LEU 2 -8.983 2.638 4.517 256 HD12 LEU 2 HD12 LEU 2 -9.576 3.523 5.928 257 HD13 LEU 2 HD13 LEU 2 -9.137 4.405 4.464 258 HD21 LEU 2 HD21 LEU 2 -11.412 2.045 2.759 259 HD22 LEU 2 HD22 LEU 2 -12.036 1.526 4.323 260 HD23 LEU 2 HD23 LEU 2 -10.314 1.394 3.977 261 HA PRO 3 HA PRO 3 -15.773 2.032 8.318 262 HB2 PRO 3 HB2 PRO 3 -14.252 -0.405 8.423 263 HB3 PRO 3 HB3 PRO 3 -15.976 -0.183 8.170 264 HG2 PRO 3 HG2 PRO 3 -14.384 -0.997 6.177 265 HG3 PRO 3 HG3 PRO 3 -15.748 0.069 5.895 266 HD2 PRO 3 HD2 PRO 3 -12.840 0.775 6.084 267 HD3 PRO 3 HD3 PRO 3 -14.073 1.279 4.929 268 HA PRO 4 HA PRO 4 -13.328 3.051 11.765 269 HB2 PRO 4 HB2 PRO 4 -14.495 0.594 12.810 270 HB3 PRO 4 HB3 PRO 4 -14.266 2.138 13.577 271 HG2 PRO 4 HG2 PRO 4 -16.595 1.736 12.705 272 HG3 PRO 4 HG3 PRO 4 -15.794 3.178 12.111 273 HD2 PRO 4 HD2 PRO 4 -16.003 0.587 10.792 274 HD3 PRO 4 HD3 PRO 4 -16.407 2.171 10.190 275 H GLY 5 H GLY 5 -11.469 2.784 12.597 276 HA2 GLY 5 HA2 GLY 5 -9.392 1.949 12.998 277 HA3 GLY 5 HA3 GLY 5 -10.131 0.376 12.872 278 H TRP 6 H TRP 6 -10.807 1.650 9.901 279 HA TRP 6 HA TRP 6 -8.581 0.239 8.737 280 HB2 TRP 6 HB2 TRP 6 -11.146 1.277 7.783 281 HB3 TRP 6 HB3 TRP 6 -9.918 1.082 6.579 282 HD1 TRP 6 HD1 TRP 6 -12.726 -0.453 7.620 283 HE1 TRP 6 HE1 TRP 6 -12.779 -2.978 7.444 284 HE3 TRP 6 HE3 TRP 6 -7.850 -1.174 6.960 285 HZ2 TRP 6 HZ2 TRP 6 -10.873 -5.029 6.953 286 HZ3 TRP 6 HZ3 TRP 6 -7.010 -3.418 6.628 287 HH2 TRP 6 HH2 TRP 6 -8.444 -5.274 6.598 288 H GLU 7 H GLU 7 -7.244 1.040 7.149 289 HA GLU 7 HA GLU 7 -7.251 3.815 6.457 290 HB2 GLU 7 HB2 GLU 7 -5.026 4.363 7.282 291 HB3 GLU 7 HB3 GLU 7 -6.038 3.864 8.628 292 HG2 GLU 7 HG2 GLU 7 -4.959 1.743 8.754 293 HG3 GLU 7 HG3 GLU 7 -4.097 2.028 7.244 294 H LYS 8 H LYS 8 -6.650 3.993 4.415 295 HA LYS 8 HA LYS 8 -5.654 1.656 3.040 296 HB2 LYS 8 HB2 LYS 8 -7.397 3.342 2.065 297 HB3 LYS 8 HB3 LYS 8 -6.056 4.485 1.910 298 HG2 LYS 8 HG2 LYS 8 -4.876 2.792 0.461 299 HG3 LYS 8 HG3 LYS 8 -6.372 1.856 0.472 300 HD2 LYS 8 HD2 LYS 8 -6.487 3.136 -1.490 301 HD3 LYS 8 HD3 LYS 8 -7.515 3.993 -0.342 302 HE2 LYS 8 HE2 LYS 8 -4.653 4.768 -0.465 303 HE3 LYS 8 HE3 LYS 8 -5.677 5.229 -1.823 304 HZ1 LYS 8 HZ1 LYS 8 -7.195 5.973 0.246 305 HZ2 LYS 8 HZ2 LYS 8 -6.103 7.000 -0.535 306 HZ3 LYS 8 HZ3 LYS 8 -5.653 6.224 0.898 307 H ARG 9 H ARG 9 -3.568 1.257 2.575 308 HA ARG 9 HA ARG 9 -1.617 3.463 2.716 309 HB2 ARG 9 HB2 ARG 9 -1.206 0.660 3.778 310 HB3 ARG 9 HB3 ARG 9 -0.011 1.949 3.787 311 HG2 ARG 9 HG2 ARG 9 -2.292 2.979 5.068 312 HG3 ARG 9 HG3 ARG 9 -2.048 1.351 5.704 313 HD2 ARG 9 HD2 ARG 9 -0.055 3.608 5.675 314 HD3 ARG 9 HD3 ARG 9 -0.807 2.876 7.076 315 HE ARG 9 HE ARG 9 1.394 1.914 5.561 316 HH11 ARG 9 HH11 ARG 9 -1.155 0.999 7.799 317 HH12 ARG 9 HH12 ARG 9 -0.165 -0.180 8.590 318 HH21 ARG 9 HH21 ARG 9 2.604 0.542 6.592 319 HH22 ARG 9 HH22 ARG 9 2.034 -0.469 7.879 320 H CYS 10 H CYS 10 -1.129 3.735 0.596 321 HA CYS 10 HA CYS 10 -0.512 1.333 -0.988 322 HB2 CYS 10 HB2 CYS 10 -0.836 4.036 -2.229 323 HB3 CYS 10 HB3 CYS 10 -1.120 2.447 -2.924 324 H PHE 11 H PHE 11 1.580 0.954 -0.326 325 HA PHE 11 HA PHE 11 3.535 3.063 -0.884 326 HB2 PHE 11 HB2 PHE 11 5.121 1.869 0.484 327 HB3 PHE 11 HB3 PHE 11 3.594 1.922 1.370 328 HD1 PHE 11 HD1 PHE 11 5.830 -0.187 -0.660 329 HD2 PHE 11 HD2 PHE 11 2.462 -0.098 1.963 330 HE1 PHE 11 HE1 PHE 11 5.935 -2.648 -0.443 331 HE2 PHE 11 HE2 PHE 11 2.558 -2.556 2.176 332 HZ PHE 11 HZ PHE 11 4.296 -3.833 0.974 333 H TYR 12 H TYR 12 5.034 2.836 -2.469 334 HA TYR 12 HA TYR 12 4.708 0.741 -4.434 335 HB2 TYR 12 HB2 TYR 12 6.253 3.287 -4.232 336 HB3 TYR 12 HB3 TYR 12 6.937 2.036 -5.261 337 HD1 TYR 12 HD1 TYR 12 5.676 1.222 -7.236 338 HD2 TYR 12 HD2 TYR 12 4.207 4.459 -4.892 339 HE1 TYR 12 HE1 TYR 12 4.262 1.848 -9.039 340 HE2 TYR 12 HE2 TYR 12 2.725 5.114 -6.686 341 HH TYR 12 HH TYR 12 2.159 3.111 -9.444 342 H PHE 13 H PHE 13 6.267 -0.904 -4.849 343 HA PHE 13 HA PHE 13 8.535 -1.035 -2.920 344 HB2 PHE 13 HB2 PHE 13 6.567 -2.623 -2.369 345 HB3 PHE 13 HB3 PHE 13 7.085 -3.530 -3.792 346 HD1 PHE 13 HD2 PHE 13 7.988 -2.436 -0.438 347 HD2 PHE 13 HD1 PHE 13 9.217 -4.766 -3.789 348 HE1 PHE 13 HE2 PHE 13 9.676 -3.534 0.948 349 HE2 PHE 13 HE1 PHE 13 10.872 -5.913 -2.417 350 HZ PHE 13 HZ PHE 13 11.132 -5.293 -0.024 351 H ASN 14 H ASN 14 10.328 -1.004 -4.030 352 HA ASN 14 HA ASN 14 10.333 -2.035 -6.722 353 HB2 ASN 14 HB2 ASN 14 12.729 -1.054 -6.708 354 HB3 ASN 14 HB3 ASN 14 11.382 0.027 -6.836 355 HD21 ASN 14 HD21 ASN 14 13.619 1.150 -6.182 356 HD22 ASN 14 HD22 ASN 14 13.671 1.546 -4.501 357 H ARG 15 H ARG 15 10.354 -4.252 -6.142 358 HA ARG 15 HA ARG 15 11.901 -5.411 -4.236 359 HB2 ARG 15 HB2 ARG 15 10.360 -6.836 -5.026 360 HB3 ARG 15 HB3 ARG 15 10.646 -6.425 -6.719 361 HG2 ARG 15 HG2 ARG 15 12.807 -7.648 -6.568 362 HG3 ARG 15 HG3 ARG 15 12.319 -8.191 -4.962 363 HD2 ARG 15 HD2 ARG 15 10.912 -8.746 -7.576 364 HD3 ARG 15 HD3 ARG 15 11.788 -9.910 -6.585 365 HE ARG 15 HE ARG 15 10.016 -9.930 -5.064 366 HH11 ARG 15 HH11 ARG 15 9.381 -7.729 -7.716 367 HH12 ARG 15 HH12 ARG 15 7.689 -7.615 -7.375 368 HH21 ARG 15 HH21 ARG 15 7.784 -9.772 -4.623 369 HH22 ARG 15 HH22 ARG 15 6.782 -8.772 -5.621 370 H ILE 16 H ILE 16 13.246 -3.835 -7.012 371 HA ILE 16 HA ILE 16 15.516 -5.400 -7.372 372 HB ILE 16 HB ILE 16 14.864 -2.545 -7.833 373 HG12 ILE 16 HG12 ILE 16 14.097 -3.306 -9.754 374 HG13 ILE 16 HG13 ILE 16 15.648 -3.978 -10.118 375 HG21 ILE 16 HG21 ILE 16 17.364 -4.095 -8.277 376 HG22 ILE 16 HG22 ILE 16 17.137 -2.714 -7.194 377 HG23 ILE 16 HG23 ILE 16 17.065 -2.490 -8.959 378 HD11 ILE 16 HD11 ILE 16 13.332 -5.350 -10.022 379 HD12 ILE 16 HD12 ILE 16 13.990 -5.652 -8.410 380 HD13 ILE 16 HD13 ILE 16 14.935 -6.068 -9.836 381 H THR 17 H THR 17 14.766 -2.478 -5.680 382 HA THR 17 HA THR 17 17.021 -2.763 -3.954 383 HB THR 17 HB THR 17 17.167 -0.507 -3.772 384 HG1 THR 17 HG1 THR 17 14.951 -0.288 -3.074 385 HG21 THR 17 HG21 THR 17 17.459 -1.291 -6.069 386 HG22 THR 17 HG22 THR 17 16.999 0.411 -5.952 387 HG23 THR 17 HG23 THR 17 15.797 -0.814 -6.430 388 H GLY 18 H GLY 18 14.339 -4.024 -4.065 389 HA2 GLY 18 HA2 GLY 18 12.432 -4.294 -2.819 390 HA3 GLY 18 HA3 GLY 18 13.610 -4.790 -1.643 391 H LYS 19 H LYS 19 13.233 -1.531 -2.902 392 HA LYS 19 HA LYS 19 12.903 -0.536 -0.233 393 HB2 LYS 19 HB2 LYS 19 13.501 0.547 -2.863 394 HB3 LYS 19 HB3 LYS 19 12.677 1.617 -1.727 395 HG2 LYS 19 HG2 LYS 19 14.423 0.936 -0.090 396 HG3 LYS 19 HG3 LYS 19 15.300 0.252 -1.484 397 HD2 LYS 19 HD2 LYS 19 15.865 2.303 -2.275 398 HD3 LYS 19 HD3 LYS 19 14.330 3.027 -1.794 399 HE2 LYS 19 HE2 LYS 19 16.007 4.065 -0.481 400 HE3 LYS 19 HE3 LYS 19 15.159 2.942 0.581 401 HZ1 LYS 19 HZ1 LYS 19 16.944 1.498 0.617 402 HZ2 LYS 19 HZ2 LYS 19 17.716 3.003 0.613 403 HZ3 LYS 19 HZ3 LYS 19 17.618 2.100 -0.814 404 H ARG 20 H ARG 20 11.335 0.990 0.375 405 HA ARG 20 HA ARG 20 8.823 0.747 -1.076 406 HB2 ARG 20 HB2 ARG 20 7.542 0.450 0.889 407 HB3 ARG 20 HB3 ARG 20 8.877 -0.739 0.890 408 HG2 ARG 20 HG2 ARG 20 9.998 1.287 2.288 409 HG3 ARG 20 HG3 ARG 20 8.304 1.458 2.749 410 HD2 ARG 20 HD2 ARG 20 8.829 -1.284 2.863 411 HD3 ARG 20 HD3 ARG 20 10.247 -0.511 3.569 412 HE ARG 20 HE ARG 20 7.710 0.463 4.554 413 HH11 ARG 20 HH11 ARG 20 10.302 -1.848 5.011 414 HH12 ARG 20 HH12 ARG 20 9.952 -2.093 6.688 415 HH21 ARG 20 HH21 ARG 20 7.254 0.135 6.764 416 HH22 ARG 20 HH22 ARG 20 8.222 -0.969 7.683 417 H GLN 21 H GLN 21 7.587 2.439 -1.233 418 HA GLN 21 HA GLN 21 8.006 4.782 0.393 419 HB2 GLN 21 HB2 GLN 21 7.973 5.726 -2.219 420 HB3 GLN 21 HB3 GLN 21 9.237 5.915 -1.046 421 HG2 GLN 21 HG2 GLN 21 10.017 3.635 -1.817 422 HG3 GLN 21 HG3 GLN 21 8.887 3.821 -3.120 423 HE21 GLN 21 HE21 GLN 21 9.148 5.917 -4.342 424 HE22 GLN 21 HE22 GLN 21 10.763 6.387 -4.672 425 H PHE 22 H PHE 22 6.132 6.114 0.373 426 HA PHE 22 HA PHE 22 3.781 4.876 -0.817 427 HB2 PHE 22 HB2 PHE 22 4.228 7.331 0.877 428 HB3 PHE 22 HB3 PHE 22 2.660 6.977 0.168 429 HD1 PHE 22 HD2 PHE 22 1.759 4.538 0.652 430 HD2 PHE 22 HD1 PHE 22 4.681 6.541 3.010 431 HE1 PHE 22 HE2 PHE 22 1.228 3.072 2.544 432 HE2 PHE 22 HE1 PHE 22 4.159 5.080 4.908 433 HZ PHE 22 HZ PHE 22 2.433 3.355 4.661 434 H GLU 23 H GLU 23 5.689 5.656 -2.682 435 HA GLU 23 HA GLU 23 4.395 7.717 -4.287 436 HB2 GLU 23 HB2 GLU 23 6.111 9.083 -3.843 437 HB3 GLU 23 HB3 GLU 23 6.947 7.809 -2.942 438 HG2 GLU 23 HG2 GLU 23 7.810 6.911 -5.088 439 HG3 GLU 23 HG3 GLU 23 7.056 8.273 -5.913 440 H ARG 24 H ARG 24 4.911 7.750 -6.403 441 HA ARG 24 HA ARG 24 5.974 5.262 -7.494 442 HB2 ARG 24 HB2 ARG 24 3.775 5.901 -8.307 443 HB3 ARG 24 HB3 ARG 24 4.401 7.465 -8.826 444 HG2 ARG 24 HG2 ARG 24 6.055 6.142 -10.182 445 HG3 ARG 24 HG3 ARG 24 4.994 4.749 -9.907 446 HD2 ARG 24 HD2 ARG 24 3.265 5.677 -11.120 447 HD3 ARG 24 HD3 ARG 24 3.856 7.323 -10.894 448 HE ARG 24 HE ARG 24 4.595 5.446 -12.944 449 HH11 ARG 24 HH11 ARG 24 5.546 8.344 -11.219 450 HH12 ARG 24 HH12 ARG 24 6.585 8.909 -12.483 451 HH21 ARG 24 HH21 ARG 24 5.977 6.208 -14.616 452 HH22 ARG 24 HH22 ARG 24 6.829 7.700 -14.407 453 HA PRO 25 HA PRO 25 9.739 7.573 -7.102 454 HB2 PRO 25 HB2 PRO 25 10.700 5.363 -8.650 455 HB3 PRO 25 HB3 PRO 25 11.233 5.979 -7.116 456 HG2 PRO 25 HG2 PRO 25 9.763 3.743 -7.339 457 HG3 PRO 25 HG3 PRO 25 9.702 4.755 -5.965 458 HD2 PRO 25 HD2 PRO 25 7.669 4.375 -7.994 459 HD3 PRO 25 HD3 PRO 25 7.571 4.974 -6.333 460 H SER 26 H SER 26 11.132 8.660 -8.176 461 HA SER 26 HA SER 26 10.600 10.320 -10.071 462 HB2 SER 26 HB2 SER 26 12.684 10.372 -8.958 463 HB3 SER 26 HB3 SER 26 13.190 8.911 -9.817 464 HG SER 26 HG SER 26 13.729 10.102 -11.472 465 H ASP 27 H ASP 27 11.742 7.221 -10.738 466 HA ASP 27 HA ASP 27 11.537 5.866 -12.538 467 HB2 ASP 27 HB2 ASP 27 9.448 6.053 -13.040 468 HB3 ASP 27 HB3 ASP 27 9.446 7.763 -12.616 Start of MODEL 30 1 H1 LYS 1 H1 LYS 1 3.885 4.099 -16.204 2 H2 LYS 1 H2 LYS 1 5.347 3.203 -16.293 3 H3 LYS 1 H3 LYS 1 5.387 4.918 -16.295 4 HA LYS 1 HA LYS 1 4.637 5.033 -14.099 5 HB2 LYS 1 HB2 LYS 1 4.126 2.983 -12.827 6 HB3 LYS 1 HB3 LYS 1 3.052 3.183 -14.204 7 HG2 LYS 1 HG2 LYS 1 5.337 1.619 -14.961 8 HG3 LYS 1 HG3 LYS 1 4.574 0.936 -13.524 9 HD2 LYS 1 HD2 LYS 1 2.598 0.497 -14.618 10 HD3 LYS 1 HD3 LYS 1 2.848 1.777 -15.803 11 HE2 LYS 1 HE2 LYS 1 3.053 -0.382 -16.852 12 HE3 LYS 1 HE3 LYS 1 4.606 0.447 -16.859 13 HZ1 LYS 1 HZ1 LYS 1 4.677 -1.962 -16.244 14 HZ2 LYS 1 HZ2 LYS 1 3.857 -1.571 -14.818 15 HZ3 LYS 1 HZ3 LYS 1 5.391 -0.924 -15.115 16 H LEU 2 H LEU 2 5.881 4.276 -12.093 17 HA LEU 2 HA LEU 2 8.479 4.744 -12.264 18 HB2 LEU 2 HB2 LEU 2 8.714 4.103 -10.067 19 HB3 LEU 2 HB3 LEU 2 7.033 4.532 -10.237 20 HG LEU 2 HG LEU 2 8.230 1.836 -9.991 21 HD11 LEU 2 HD11 LEU 2 6.292 3.512 -8.515 22 HD12 LEU 2 HD12 LEU 2 7.660 2.594 -7.879 23 HD13 LEU 2 HD13 LEU 2 6.190 1.752 -8.429 24 HD21 LEU 2 HD21 LEU 2 6.659 2.070 -11.853 25 HD22 LEU 2 HD22 LEU 2 5.405 2.403 -10.601 26 HD23 LEU 2 HD23 LEU 2 6.255 0.858 -10.629 27 HA PRO 3 HA PRO 3 11.499 1.886 -13.549 28 HB2 PRO 3 HB2 PRO 3 12.309 1.678 -10.756 29 HB3 PRO 3 HB3 PRO 3 13.248 2.140 -12.169 30 HG2 PRO 3 HG2 PRO 3 12.386 3.951 -10.422 31 HG3 PRO 3 HG3 PRO 3 12.462 4.302 -12.146 32 HD2 PRO 3 HD2 PRO 3 10.112 3.735 -10.433 33 HD3 PRO 3 HD3 PRO 3 10.253 4.765 -11.835 34 HA PRO 4 HA PRO 4 10.920 -2.415 -13.036 35 HB2 PRO 4 HB2 PRO 4 13.807 -2.345 -12.697 36 HB3 PRO 4 HB3 PRO 4 12.829 -3.348 -13.725 37 HG2 PRO 4 HG2 PRO 4 13.981 -1.446 -14.898 38 HG3 PRO 4 HG3 PRO 4 12.236 -1.516 -15.073 39 HD2 PRO 4 HD2 PRO 4 13.746 0.077 -13.148 40 HD3 PRO 4 HD3 PRO 4 12.610 0.604 -14.356 41 H GLY 5 H GLY 5 10.918 -4.029 -11.626 42 HA2 GLY 5 HA2 GLY 5 11.076 -5.067 -9.582 43 HA3 GLY 5 HA3 GLY 5 12.209 -3.813 -9.132 44 H TRP 6 H TRP 6 10.260 -1.639 -9.812 45 HA TRP 6 HA TRP 6 9.020 -1.424 -7.290 46 HB2 TRP 6 HB2 TRP 6 9.089 0.191 -9.756 47 HB3 TRP 6 HB3 TRP 6 7.821 0.502 -8.644 48 HD1 TRP 6 HD1 TRP 6 10.731 1.861 -9.654 49 HE1 TRP 6 HE1 TRP 6 12.106 3.066 -7.864 50 HE3 TRP 6 HE3 TRP 6 8.269 0.241 -5.677 51 HZ2 TRP 6 HZ2 TRP 6 12.029 3.294 -5.020 52 HZ3 TRP 6 HZ3 TRP 6 8.889 0.988 -3.484 53 HH2 TRP 6 HH2 TRP 6 10.655 2.474 -3.141 54 H GLU 7 H GLU 7 6.842 -1.316 -6.851 55 HA GLU 7 HA GLU 7 4.860 -1.765 -8.815 56 HB2 GLU 7 HB2 GLU 7 3.945 -3.866 -7.814 57 HB3 GLU 7 HB3 GLU 7 5.407 -4.062 -8.764 58 HG2 GLU 7 HG2 GLU 7 6.672 -4.655 -6.958 59 HG3 GLU 7 HG3 GLU 7 5.698 -3.715 -5.828 60 H LYS 8 H LYS 8 3.592 -0.276 -8.156 61 HA LYS 8 HA LYS 8 3.334 0.801 -5.633 62 HB2 LYS 8 HB2 LYS 8 2.223 1.603 -7.908 63 HB3 LYS 8 HB3 LYS 8 0.912 0.491 -7.501 64 HG2 LYS 8 HG2 LYS 8 0.393 1.702 -5.489 65 HG3 LYS 8 HG3 LYS 8 1.805 2.741 -5.700 66 HD2 LYS 8 HD2 LYS 8 0.221 4.115 -6.587 67 HD3 LYS 8 HD3 LYS 8 0.634 3.206 -8.041 68 HE2 LYS 8 HE2 LYS 8 -1.284 1.620 -6.960 69 HE3 LYS 8 HE3 LYS 8 -1.837 3.215 -6.451 70 HZ1 LYS 8 HZ1 LYS 8 -2.779 2.605 -8.582 71 HZ2 LYS 8 HZ2 LYS 8 -1.236 2.397 -9.244 72 HZ3 LYS 8 HZ3 LYS 8 -1.749 3.935 -8.762 73 H ARG 9 H ARG 9 2.370 0.071 -3.735 74 HA ARG 9 HA ARG 9 0.533 -2.237 -3.914 75 HB2 ARG 9 HB2 ARG 9 2.689 -1.774 -1.846 76 HB3 ARG 9 HB3 ARG 9 1.482 -3.047 -1.760 77 HG2 ARG 9 HG2 ARG 9 2.365 -4.103 -3.717 78 HG3 ARG 9 HG3 ARG 9 3.467 -2.756 -3.998 79 HD2 ARG 9 HD2 ARG 9 4.597 -4.686 -2.955 80 HD3 ARG 9 HD3 ARG 9 4.644 -3.266 -1.931 81 HE ARG 9 HE ARG 9 3.281 -4.299 -0.457 82 HH11 ARG 9 HH11 ARG 9 3.511 -6.268 -3.360 83 HH12 ARG 9 HH12 ARG 9 3.062 -7.716 -2.525 84 HH21 ARG 9 HH21 ARG 9 2.814 -6.083 0.547 85 HH22 ARG 9 HH22 ARG 9 2.635 -7.616 -0.240 86 H CYS 10 H CYS 10 -1.409 -1.252 -3.554 87 HA CYS 10 HA CYS 10 -1.626 0.530 -1.225 88 HB2 CYS 10 HB2 CYS 10 -3.918 0.192 -3.091 89 HB3 CYS 10 HB3 CYS 10 -3.391 1.608 -2.196 90 H PHE 11 H PHE 11 -1.759 -0.828 0.469 91 HA PHE 11 HA PHE 11 -3.955 -2.778 0.470 92 HB2 PHE 11 HB2 PHE 11 -2.806 -3.971 2.237 93 HB3 PHE 11 HB3 PHE 11 -1.629 -3.625 0.970 94 HD1 PHE 11 HD2 PHE 11 -2.825 -2.657 4.313 95 HD2 PHE 11 HD1 PHE 11 0.273 -2.263 1.416 96 HE1 PHE 11 HE2 PHE 11 -1.371 -1.611 6.004 97 HE2 PHE 11 HE1 PHE 11 1.717 -1.208 3.104 98 HZ PHE 11 HZ PHE 11 0.898 -0.882 5.399 99 H TYR 12 H TYR 12 -5.585 -2.604 1.960 100 HA TYR 12 HA TYR 12 -5.838 -0.127 3.435 101 HB2 TYR 12 HB2 TYR 12 -7.633 -2.456 2.838 102 HB3 TYR 12 HB3 TYR 12 -7.974 -1.528 4.296 103 HD1 TYR 12 HD2 TYR 12 -8.661 0.851 4.132 104 HD2 TYR 12 HD1 TYR 12 -7.912 -1.442 0.625 105 HE1 TYR 12 HE2 TYR 12 -9.699 2.514 2.808 106 HE2 TYR 12 HE1 TYR 12 -8.964 0.232 -0.729 107 HH TYR 12 HH TYR 12 -9.536 3.302 0.261 108 H PHE 13 H PHE 13 -5.671 0.016 5.718 109 HA PHE 13 HA PHE 13 -4.832 -2.512 7.038 110 HB2 PHE 13 HB2 PHE 13 -3.001 -0.729 6.744 111 HB3 PHE 13 HB3 PHE 13 -3.881 0.196 7.965 112 HD1 PHE 13 HD1 PHE 13 -2.179 -2.992 7.313 113 HD2 PHE 13 HD2 PHE 13 -3.722 -0.392 10.281 114 HE1 PHE 13 HE1 PHE 13 -1.050 -4.299 9.034 115 HE2 PHE 13 HE2 PHE 13 -2.578 -1.649 12.024 116 HZ PHE 13 HZ PHE 13 -1.229 -3.633 11.410 117 H ASN 14 H ASN 14 -6.191 -3.154 8.447 118 HA ASN 14 HA ASN 14 -8.107 -1.268 9.490 119 HB2 ASN 14 HB2 ASN 14 -8.828 -3.498 8.533 120 HB3 ASN 14 HB3 ASN 14 -8.120 -4.256 9.900 121 HD21 ASN 14 HD21 ASN 14 -9.943 -1.293 9.761 122 HD22 ASN 14 HD22 ASN 14 -11.224 -1.807 10.792 123 H ARG 15 H ARG 15 -6.251 -0.334 10.701 124 HA ARG 15 HA ARG 15 -4.642 -1.455 12.507 125 HB2 ARG 15 HB2 ARG 15 -4.098 0.674 12.590 126 HB3 ARG 15 HB3 ARG 15 -5.724 1.212 12.185 127 HG2 ARG 15 HG2 ARG 15 -6.238 1.676 14.311 128 HG3 ARG 15 HG3 ARG 15 -5.413 0.249 14.936 129 HD2 ARG 15 HD2 ARG 15 -4.050 2.773 14.002 130 HD3 ARG 15 HD3 ARG 15 -4.357 2.352 15.687 131 HE ARG 15 HE ARG 15 -2.255 1.370 14.020 132 HH11 ARG 15 HH11 ARG 15 -4.308 0.528 16.732 133 HH12 ARG 15 HH12 ARG 15 -3.191 -0.627 17.375 134 HH21 ARG 15 HH21 ARG 15 -0.790 -0.153 14.874 135 HH22 ARG 15 HH22 ARG 15 -1.194 -1.013 16.322 136 H ILE 16 H ILE 16 -8.144 -1.403 13.022 137 HA ILE 16 HA ILE 16 -8.136 -1.706 15.775 138 HB ILE 16 HB ILE 16 -9.942 -2.582 13.596 139 HG12 ILE 16 HG12 ILE 16 -10.775 -0.554 13.864 140 HG13 ILE 16 HG13 ILE 16 -11.121 -0.913 15.519 141 HG21 ILE 16 HG21 ILE 16 -11.447 -3.239 15.451 142 HG22 ILE 16 HG22 ILE 16 -10.076 -2.976 16.542 143 HG23 ILE 16 HG23 ILE 16 -9.977 -4.229 15.295 144 HD11 ILE 16 HD11 ILE 16 -9.650 1.158 14.697 145 HD12 ILE 16 HD12 ILE 16 -8.385 -0.043 14.971 146 HD13 ILE 16 HD13 ILE 16 -9.477 0.396 16.281 147 H THR 17 H THR 17 -8.206 -3.837 13.074 148 HA THR 17 HA THR 17 -7.450 -6.082 14.653 149 HB THR 17 HB THR 17 -8.471 -7.445 13.076 150 HG1 THR 17 HG1 THR 17 -7.504 -6.277 11.265 151 HG21 THR 17 HG21 THR 17 -10.676 -6.564 12.964 152 HG22 THR 17 HG22 THR 17 -10.064 -4.897 13.138 153 HG23 THR 17 HG23 THR 17 -9.917 -6.047 14.475 154 H GLY 18 H GLY 18 -5.914 -3.779 13.548 155 HA2 GLY 18 HA2 GLY 18 -4.132 -3.279 12.205 156 HA3 GLY 18 HA3 GLY 18 -3.381 -4.544 13.116 157 H LYS 19 H LYS 19 -6.060 -5.048 11.023 158 HA LYS 19 HA LYS 19 -4.837 -7.065 9.507 159 HB2 LYS 19 HB2 LYS 19 -7.410 -5.758 9.663 160 HB3 LYS 19 HB3 LYS 19 -6.990 -6.431 8.092 161 HG2 LYS 19 HG2 LYS 19 -6.910 -7.890 10.679 162 HG3 LYS 19 HG3 LYS 19 -8.248 -7.941 9.510 163 HD2 LYS 19 HD2 LYS 19 -6.183 -8.573 7.897 164 HD3 LYS 19 HD3 LYS 19 -5.588 -9.238 9.419 165 HE2 LYS 19 HE2 LYS 19 -8.348 -9.827 8.386 166 HE3 LYS 19 HE3 LYS 19 -6.948 -10.784 7.906 167 HZ1 LYS 19 HZ1 LYS 19 -7.823 -10.363 10.714 168 HZ2 LYS 19 HZ2 LYS 19 -6.562 -11.363 10.194 169 HZ3 LYS 19 HZ3 LYS 19 -8.161 -11.743 9.795 170 H ARG 20 H ARG 20 -4.805 -7.159 7.222 171 HA ARG 20 HA ARG 20 -4.608 -4.675 5.799 172 HB2 ARG 20 HB2 ARG 20 -2.490 -5.024 4.859 173 HB3 ARG 20 HB3 ARG 20 -2.343 -5.266 6.622 174 HG2 ARG 20 HG2 ARG 20 -2.660 -7.551 4.701 175 HG3 ARG 20 HG3 ARG 20 -1.086 -6.895 5.146 176 HD2 ARG 20 HD2 ARG 20 -2.747 -7.414 7.465 177 HD3 ARG 20 HD3 ARG 20 -2.503 -8.863 6.492 178 HE ARG 20 HE ARG 20 -0.023 -8.130 6.668 179 HH11 ARG 20 HH11 ARG 20 -2.428 -7.842 9.206 180 HH12 ARG 20 HH12 ARG 20 -1.267 -7.967 10.482 181 HH21 ARG 20 HH21 ARG 20 1.493 -8.298 8.359 182 HH22 ARG 20 HH22 ARG 20 0.956 -8.226 10.004 183 H GLN 21 H GLN 21 -5.237 -4.727 3.819 184 HA GLN 21 HA GLN 21 -5.432 -7.200 2.351 185 HB2 GLN 21 HB2 GLN 21 -7.901 -5.988 2.004 186 HB3 GLN 21 HB3 GLN 21 -7.583 -7.547 2.690 187 HG2 GLN 21 HG2 GLN 21 -7.261 -6.349 4.866 188 HG3 GLN 21 HG3 GLN 21 -7.842 -4.923 4.065 189 HE21 GLN 21 HE21 GLN 21 -9.996 -5.201 2.986 190 HE22 GLN 21 HE22 GLN 21 -11.163 -6.105 3.856 191 H PHE 22 H PHE 22 -5.514 -6.796 0.084 192 HA PHE 22 HA PHE 22 -4.838 -4.054 -0.653 193 HB2 PHE 22 HB2 PHE 22 -4.869 -6.684 -2.085 194 HB3 PHE 22 HB3 PHE 22 -4.942 -5.210 -3.033 195 HD1 PHE 22 HD1 PHE 22 -3.056 -5.679 0.118 196 HD2 PHE 22 HD2 PHE 22 -2.842 -5.286 -4.102 197 HE1 PHE 22 HE1 PHE 22 -0.627 -5.461 0.266 198 HE2 PHE 22 HE2 PHE 22 -0.413 -5.066 -3.962 199 HZ PHE 22 HZ PHE 22 0.678 -5.156 -1.777 200 H GLU 23 H GLU 23 -7.377 -4.377 0.426 201 HA GLU 23 HA GLU 23 -9.201 -3.638 -1.723 202 HB2 GLU 23 HB2 GLU 23 -10.288 -5.565 -1.401 203 HB3 GLU 23 HB3 GLU 23 -9.246 -5.977 -0.028 204 HG2 GLU 23 HG2 GLU 23 -10.655 -4.596 1.441 205 HG3 GLU 23 HG3 GLU 23 -11.700 -4.241 0.063 206 H ARG 24 H ARG 24 -10.894 -2.442 -1.204 207 HA ARG 24 HA ARG 24 -10.699 -0.914 1.258 208 HB2 ARG 24 HB2 ARG 24 -11.065 0.362 -0.722 209 HB3 ARG 24 HB3 ARG 24 -12.475 -0.607 -1.152 210 HG2 ARG 24 HG2 ARG 24 -13.353 0.075 1.131 211 HG3 ARG 24 HG3 ARG 24 -12.116 1.336 1.052 212 HD2 ARG 24 HD2 ARG 24 -13.373 1.392 -1.424 213 HD3 ARG 24 HD3 ARG 24 -14.683 1.176 -0.268 214 HE ARG 24 HE ARG 24 -14.242 3.251 0.640 215 HH11 ARG 24 HH11 ARG 24 -11.921 2.507 -1.878 216 HH12 ARG 24 HH12 ARG 24 -11.356 4.138 -2.006 217 HH21 ARG 24 HH21 ARG 24 -13.490 5.396 0.464 218 HH22 ARG 24 HH22 ARG 24 -12.245 5.777 -0.678 219 HA PRO 25 HA PRO 25 -13.201 -4.200 2.933 220 HB2 PRO 25 HB2 PRO 25 -12.824 -2.675 5.299 221 HB3 PRO 25 HB3 PRO 25 -12.363 -4.325 4.961 222 HG2 PRO 25 HG2 PRO 25 -10.516 -2.447 5.173 223 HG3 PRO 25 HG3 PRO 25 -10.382 -3.682 3.984 224 HD2 PRO 25 HD2 PRO 25 -11.284 -0.849 3.577 225 HD3 PRO 25 HD3 PRO 25 -10.178 -1.872 2.627 226 H SER 26 H SER 26 -15.141 -4.462 3.784 227 HA SER 26 HA SER 26 -16.975 -2.404 3.267 228 HB2 SER 26 HB2 SER 26 -17.440 -5.062 4.489 229 HB3 SER 26 HB3 SER 26 -18.658 -3.874 3.987 230 HG SER 26 HG SER 26 -18.523 -5.050 2.202 231 H ASP 27 H ASP 27 -18.169 -1.430 4.409 232 HA ASP 27 HA ASP 27 -17.377 -0.169 6.620 233 HB2 ASP 27 HB2 ASP 27 -19.041 1.098 6.067 234 HB3 ASP 27 HB3 ASP 27 -19.451 -0.099 4.840 235 H1 LYS 1 H1 LYS 1 -18.204 6.243 4.745 236 H2 LYS 1 H2 LYS 1 -18.028 4.900 3.693 237 H3 LYS 1 H3 LYS 1 -17.900 6.494 3.076 238 HA LYS 1 HA LYS 1 -15.744 5.969 3.215 239 HB2 LYS 1 HB2 LYS 1 -16.588 7.031 5.924 240 HB3 LYS 1 HB3 LYS 1 -14.900 6.854 5.486 241 HG2 LYS 1 HG2 LYS 1 -15.693 9.149 5.241 242 HG3 LYS 1 HG3 LYS 1 -15.156 8.490 3.701 243 HD2 LYS 1 HD2 LYS 1 -17.252 8.544 2.811 244 HD3 LYS 1 HD3 LYS 1 -18.031 8.180 4.350 245 HE2 LYS 1 HE2 LYS 1 -16.798 10.826 3.625 246 HE3 LYS 1 HE3 LYS 1 -18.513 10.447 3.501 247 HZ1 LYS 1 HZ1 LYS 1 -18.306 9.856 5.971 248 HZ2 LYS 1 HZ2 LYS 1 -18.327 11.492 5.546 249 HZ3 LYS 1 HZ3 LYS 1 -16.863 10.738 5.930 250 H LEU 2 H LEU 2 -13.887 5.008 4.546 251 HA LEU 2 HA LEU 2 -14.126 2.284 4.813 252 HB2 LEU 2 HB2 LEU 2 -12.289 4.278 6.027 253 HB3 LEU 2 HB3 LEU 2 -12.166 2.578 6.377 254 HG LEU 2 HG LEU 2 -11.906 3.787 3.645 255 HD11 LEU 2 HD11 LEU 2 -10.132 3.379 5.881 256 HD12 LEU 2 HD12 LEU 2 -9.905 4.326 4.411 257 HD13 LEU 2 HD13 LEU 2 -9.544 2.587 4.415 258 HD21 LEU 2 HD21 LEU 2 -12.355 1.094 4.538 259 HD22 LEU 2 HD22 LEU 2 -10.750 1.242 3.821 260 HD23 LEU 2 HD23 LEU 2 -12.186 1.714 2.892 261 HA PRO 3 HA PRO 3 -15.863 1.274 8.777 262 HB2 PRO 3 HB2 PRO 3 -14.062 -0.962 8.800 263 HB3 PRO 3 HB3 PRO 3 -15.816 -0.952 8.690 264 HG2 PRO 3 HG2 PRO 3 -14.307 -1.637 6.586 265 HG3 PRO 3 HG3 PRO 3 -15.804 -0.739 6.395 266 HD2 PRO 3 HD2 PRO 3 -12.990 0.296 6.345 267 HD3 PRO 3 HD3 PRO 3 -14.347 0.619 5.268 268 HA PRO 4 HA PRO 4 -13.220 2.700 11.916 269 HB2 PRO 4 HB2 PRO 4 -14.078 0.237 13.211 270 HB3 PRO 4 HB3 PRO 4 -13.926 1.847 13.851 271 HG2 PRO 4 HG2 PRO 4 -16.276 1.182 13.220 272 HG3 PRO 4 HG3 PRO 4 -15.663 2.642 12.466 273 HD2 PRO 4 HD2 PRO 4 -15.725 -0.046 11.337 274 HD3 PRO 4 HD3 PRO 4 -16.346 1.441 10.678 275 H GLY 5 H GLY 5 -11.268 2.646 12.496 276 HA2 GLY 5 HA2 GLY 5 -9.119 1.934 12.814 277 HA3 GLY 5 HA3 GLY 5 -9.740 0.309 12.710 278 H TRP 6 H TRP 6 -10.834 1.271 9.856 279 HA TRP 6 HA TRP 6 -8.545 0.239 8.466 280 HB2 TRP 6 HB2 TRP 6 -11.311 0.918 7.754 281 HB3 TRP 6 HB3 TRP 6 -10.173 0.881 6.451 282 HD1 TRP 6 HD1 TRP 6 -12.643 -1.022 7.803 283 HE1 TRP 6 HE1 TRP 6 -12.384 -3.531 7.567 284 HE3 TRP 6 HE3 TRP 6 -7.849 -1.063 6.507 285 HZ2 TRP 6 HZ2 TRP 6 -10.301 -5.314 6.776 286 HZ3 TRP 6 HZ3 TRP 6 -6.770 -3.174 5.998 287 HH2 TRP 6 HH2 TRP 6 -7.924 -5.209 6.093 288 H GLU 7 H GLU 7 -7.343 1.245 6.938 289 HA GLU 7 HA GLU 7 -7.869 3.969 6.174 290 HB2 GLU 7 HB2 GLU 7 -5.429 3.250 7.820 291 HB3 GLU 7 HB3 GLU 7 -5.459 4.650 6.760 292 HG2 GLU 7 HG2 GLU 7 -7.367 4.182 9.040 293 HG3 GLU 7 HG3 GLU 7 -5.925 5.192 9.115 294 H LYS 8 H LYS 8 -7.434 4.128 4.080 295 HA LYS 8 HA LYS 8 -6.178 1.935 2.743 296 HB2 LYS 8 HB2 LYS 8 -8.096 3.457 1.789 297 HB3 LYS 8 HB3 LYS 8 -6.828 4.658 1.501 298 HG2 LYS 8 HG2 LYS 8 -5.635 2.706 0.223 299 HG3 LYS 8 HG3 LYS 8 -7.261 2.032 0.147 300 HD2 LYS 8 HD2 LYS 8 -7.263 3.263 -1.778 301 HD3 LYS 8 HD3 LYS 8 -7.862 4.480 -0.649 302 HE2 LYS 8 HE2 LYS 8 -5.761 5.536 -0.512 303 HE3 LYS 8 HE3 LYS 8 -4.935 4.167 -1.256 304 HZ1 LYS 8 HZ1 LYS 8 -6.132 4.667 -3.327 305 HZ2 LYS 8 HZ2 LYS 8 -5.142 5.946 -2.834 306 HZ3 LYS 8 HZ3 LYS 8 -6.815 6.034 -2.599 307 H ARG 9 H ARG 9 -4.057 1.692 2.628 308 HA ARG 9 HA ARG 9 -2.309 4.063 2.433 309 HB2 ARG 9 HB2 ARG 9 -2.179 2.908 4.649 310 HB3 ARG 9 HB3 ARG 9 -1.639 1.457 3.816 311 HG2 ARG 9 HG2 ARG 9 0.381 2.506 3.128 312 HG3 ARG 9 HG3 ARG 9 -0.187 4.087 3.668 313 HD2 ARG 9 HD2 ARG 9 0.420 1.718 5.431 314 HD3 ARG 9 HD3 ARG 9 1.382 3.173 5.283 315 HE ARG 9 HE ARG 9 -1.008 2.792 6.763 316 HH11 ARG 9 HH11 ARG 9 1.045 5.197 5.232 317 HH12 ARG 9 HH12 ARG 9 0.718 6.386 6.446 318 HH21 ARG 9 HH21 ARG 9 -1.323 4.225 8.272 319 HH22 ARG 9 HH22 ARG 9 -0.681 5.834 8.221 320 H CYS 10 H CYS 10 -0.532 3.923 1.005 321 HA CYS 10 HA CYS 10 -0.218 1.422 -0.473 322 HB2 CYS 10 HB2 CYS 10 -1.886 2.628 -1.778 323 HB3 CYS 10 HB3 CYS 10 -0.864 4.055 -1.820 324 H PHE 11 H PHE 11 1.842 0.973 -0.165 325 HA PHE 11 HA PHE 11 3.791 3.118 -0.636 326 HB2 PHE 11 HB2 PHE 11 5.407 1.971 0.735 327 HB3 PHE 11 HB3 PHE 11 3.894 2.020 1.641 328 HD1 PHE 11 HD1 PHE 11 6.006 -0.128 -0.520 329 HD2 PHE 11 HD2 PHE 11 2.957 0.026 2.466 330 HE1 PHE 11 HE1 PHE 11 6.185 -2.575 -0.209 331 HE2 PHE 11 HE2 PHE 11 3.125 -2.419 2.770 332 HZ PHE 11 HZ PHE 11 4.740 -3.721 1.432 333 H TYR 12 H TYR 12 5.148 2.908 -2.327 334 HA TYR 12 HA TYR 12 4.772 0.792 -4.233 335 HB2 TYR 12 HB2 TYR 12 6.374 3.306 -4.091 336 HB3 TYR 12 HB3 TYR 12 7.021 2.032 -5.118 337 HD1 TYR 12 HD1 TYR 12 5.703 1.208 -7.047 338 HD2 TYR 12 HD2 TYR 12 4.333 4.510 -4.742 339 HE1 TYR 12 HE1 TYR 12 4.263 1.820 -8.833 340 HE2 TYR 12 HE2 TYR 12 2.824 5.148 -6.520 341 HH TYR 12 HH TYR 12 1.952 4.540 -8.540 342 H PHE 13 H PHE 13 6.228 -0.942 -4.618 343 HA PHE 13 HA PHE 13 8.500 -1.092 -2.707 344 HB2 PHE 13 HB2 PHE 13 6.534 -2.666 -2.183 345 HB3 PHE 13 HB3 PHE 13 7.025 -3.556 -3.627 346 HD1 PHE 13 HD1 PHE 13 8.153 -2.379 -0.330 347 HD2 PHE 13 HD2 PHE 13 8.954 -4.997 -3.584 348 HE1 PHE 13 HE1 PHE 13 9.837 -3.528 1.019 349 HE2 PHE 13 HE2 PHE 13 10.618 -6.193 -2.251 350 HZ PHE 13 HZ PHE 13 11.080 -5.456 0.075 351 H ASN 14 H ASN 14 10.316 -1.117 -3.700 352 HA ASN 14 HA ASN 14 10.399 -1.949 -6.468 353 HB2 ASN 14 HB2 ASN 14 11.525 0.166 -6.004 354 HB3 ASN 14 HB3 ASN 14 12.546 -0.571 -4.833 355 HD21 ASN 14 HD21 ASN 14 12.177 0.213 -8.062 356 HD22 ASN 14 HD22 ASN 14 13.552 -0.610 -8.684 357 H ARG 15 H ARG 15 10.063 -4.186 -5.854 358 HA ARG 15 HA ARG 15 11.434 -5.645 -4.053 359 HB2 ARG 15 HB2 ARG 15 9.966 -7.071 -4.854 360 HB3 ARG 15 HB3 ARG 15 9.929 -6.309 -6.441 361 HG2 ARG 15 HG2 ARG 15 11.791 -7.586 -7.187 362 HG3 ARG 15 HG3 ARG 15 12.093 -8.201 -5.561 363 HD2 ARG 15 HD2 ARG 15 10.996 -9.917 -6.863 364 HD3 ARG 15 HD3 ARG 15 9.892 -9.340 -5.617 365 HE ARG 15 HE ARG 15 9.657 -8.946 -8.496 366 HH11 ARG 15 HH11 ARG 15 8.388 -8.268 -5.297 367 HH12 ARG 15 HH12 ARG 15 6.857 -7.725 -5.892 368 HH21 ARG 15 HH21 ARG 15 7.639 -8.232 -9.263 369 HH22 ARG 15 HH22 ARG 15 6.430 -7.705 -8.140 370 H ILE 16 H ILE 16 13.010 -4.321 -6.930 371 HA ILE 16 HA ILE 16 15.086 -6.155 -7.078 372 HB ILE 16 HB ILE 16 14.818 -3.287 -7.771 373 HG12 ILE 16 HG12 ILE 16 14.064 -4.031 -9.701 374 HG13 ILE 16 HG13 ILE 16 15.436 -5.064 -9.899 375 HG21 ILE 16 HG21 ILE 16 17.036 -3.680 -7.085 376 HG22 ILE 16 HG22 ILE 16 17.015 -3.624 -8.866 377 HG23 ILE 16 HG23 ILE 16 17.092 -5.178 -8.020 378 HD11 ILE 16 HD11 ILE 16 13.529 -6.256 -8.132 379 HD12 ILE 16 HD12 ILE 16 14.182 -6.857 -9.651 380 HD13 ILE 16 HD13 ILE 16 12.776 -5.785 -9.662 381 H THR 17 H THR 17 14.614 -3.080 -5.594 382 HA THR 17 HA THR 17 16.872 -3.393 -3.889 383 HB THR 17 HB THR 17 16.965 -1.067 -3.732 384 HG1 THR 17 HG1 THR 17 14.623 -0.849 -3.484 385 HG21 THR 17 HG21 THR 17 17.149 -0.433 -6.018 386 HG22 THR 17 HG22 THR 17 16.045 -1.745 -6.510 387 HG23 THR 17 HG23 THR 17 17.634 -2.122 -5.831 388 H GLY 18 H GLY 18 14.119 -4.528 -3.803 389 HA2 GLY 18 HA2 GLY 18 12.268 -4.650 -2.465 390 HA3 GLY 18 HA3 GLY 18 13.450 -5.006 -1.252 391 H LYS 19 H LYS 19 13.247 -1.974 -2.892 392 HA LYS 19 HA LYS 19 13.111 -0.434 -0.555 393 HB2 LYS 19 HB2 LYS 19 13.162 0.006 -3.421 394 HB3 LYS 19 HB3 LYS 19 12.378 1.260 -2.461 395 HG2 LYS 19 HG2 LYS 19 14.372 1.372 -1.075 396 HG3 LYS 19 HG3 LYS 19 15.163 0.218 -2.181 397 HD2 LYS 19 HD2 LYS 19 15.646 1.859 -3.623 398 HD3 LYS 19 HD3 LYS 19 13.975 2.427 -3.624 399 HE2 LYS 19 HE2 LYS 19 14.525 3.551 -1.407 400 HE3 LYS 19 HE3 LYS 19 16.215 3.216 -1.780 401 HZ1 LYS 19 HZ1 LYS 19 16.251 5.028 -3.027 402 HZ2 LYS 19 HZ2 LYS 19 14.624 5.335 -2.688 403 HZ3 LYS 19 HZ3 LYS 19 15.044 4.398 -4.031 404 H ARG 20 H ARG 20 11.561 1.105 0.022 405 HA ARG 20 HA ARG 20 8.895 0.733 -0.989 406 HB2 ARG 20 HB2 ARG 20 7.840 0.509 1.104 407 HB3 ARG 20 HB3 ARG 20 9.130 -0.720 0.964 408 HG2 ARG 20 HG2 ARG 20 10.108 -0.010 2.821 409 HG3 ARG 20 HG3 ARG 20 10.143 1.650 2.232 410 HD2 ARG 20 HD2 ARG 20 8.788 1.972 4.022 411 HD3 ARG 20 HD3 ARG 20 7.556 1.493 2.856 412 HE ARG 20 HE ARG 20 8.762 -0.607 4.486 413 HH11 ARG 20 HH11 ARG 20 6.005 1.479 3.901 414 HH12 ARG 20 HH12 ARG 20 4.925 0.515 4.848 415 HH21 ARG 20 HH21 ARG 20 7.332 -1.865 5.732 416 HH22 ARG 20 HH22 ARG 20 5.676 -1.380 5.889 417 H GLN 21 H GLN 21 7.737 2.451 -1.139 418 HA GLN 21 HA GLN 21 8.269 4.803 0.435 419 HB2 GLN 21 HB2 GLN 21 8.182 5.685 -2.215 420 HB3 GLN 21 HB3 GLN 21 9.453 5.921 -1.056 421 HG2 GLN 21 HG2 GLN 21 10.231 3.609 -1.760 422 HG3 GLN 21 HG3 GLN 21 9.101 3.767 -3.066 423 HE21 GLN 21 HE21 GLN 21 9.353 5.937 -4.240 424 HE22 GLN 21 HE22 GLN 21 10.971 6.355 -4.621 425 H PHE 22 H PHE 22 6.406 6.147 0.481 426 HA PHE 22 HA PHE 22 4.009 4.941 -0.630 427 HB2 PHE 22 HB2 PHE 22 4.480 7.502 0.912 428 HB3 PHE 22 HB3 PHE 22 2.887 6.951 0.414 429 HD1 PHE 22 HD2 PHE 22 2.614 4.256 1.077 430 HD2 PHE 22 HD1 PHE 22 4.904 7.185 3.150 431 HE1 PHE 22 HE2 PHE 22 2.442 2.929 3.129 432 HE2 PHE 22 HE1 PHE 22 4.737 5.864 5.208 433 HZ PHE 22 HZ PHE 22 3.505 3.744 5.183 434 H GLU 23 H GLU 23 5.864 5.673 -2.569 435 HA GLU 23 HA GLU 23 4.543 7.716 -4.172 436 HB2 GLU 23 HB2 GLU 23 6.258 9.096 -3.782 437 HB3 GLU 23 HB3 GLU 23 7.108 7.842 -2.865 438 HG2 GLU 23 HG2 GLU 23 7.952 6.906 -5.000 439 HG3 GLU 23 HG3 GLU 23 7.185 8.250 -5.844 440 H ARG 24 H ARG 24 5.024 7.717 -6.302 441 HA ARG 24 HA ARG 24 6.076 5.217 -7.390 442 HB2 ARG 24 HB2 ARG 24 3.879 5.885 -8.201 443 HB3 ARG 24 HB3 ARG 24 4.524 7.441 -8.724 444 HG2 ARG 24 HG2 ARG 24 6.194 6.002 -10.026 445 HG3 ARG 24 HG3 ARG 24 4.980 4.722 -9.837 446 HD2 ARG 24 HD2 ARG 24 3.887 7.302 -10.679 447 HD3 ARG 24 HD3 ARG 24 5.046 6.642 -11.827 448 HE ARG 24 HE ARG 24 3.615 4.886 -12.273 449 HH11 ARG 24 HH11 ARG 24 2.269 6.973 -9.801 450 HH12 ARG 24 HH12 ARG 24 0.678 6.306 -9.933 451 HH21 ARG 24 HH21 ARG 24 1.516 4.013 -12.439 452 HH22 ARG 24 HH22 ARG 24 0.250 4.626 -11.428 453 HA PRO 25 HA PRO 25 9.836 7.532 -6.995 454 HB2 PRO 25 HB2 PRO 25 10.867 5.337 -8.493 455 HB3 PRO 25 HB3 PRO 25 11.325 5.953 -6.934 456 HG2 PRO 25 HG2 PRO 25 9.896 3.696 -7.231 457 HG3 PRO 25 HG3 PRO 25 9.783 4.684 -5.846 458 HD2 PRO 25 HD2 PRO 25 7.811 4.311 -7.941 459 HD3 PRO 25 HD3 PRO 25 7.658 4.879 -6.274 460 H SER 26 H SER 26 11.054 8.755 -8.015 461 HA SER 26 HA SER 26 10.407 10.063 -10.259 462 HB2 SER 26 HB2 SER 26 11.944 10.925 -8.667 463 HB3 SER 26 HB3 SER 26 13.086 9.639 -9.090 464 HG SER 26 HG SER 26 13.719 10.783 -10.748 465 H ASP 27 H ASP 27 12.381 7.400 -9.890 466 HA ASP 27 HA ASP 27 13.018 5.772 -11.341 467 HB2 ASP 27 HB2 ASP 27 11.418 5.496 -12.764 468 HB3 ASP 27 HB3 ASP 27 10.939 7.180 -12.585 Start of MODEL 31 1 H1 LYS 1 H1 LYS 1 4.155 1.945 -15.826 2 H2 LYS 1 H2 LYS 1 4.638 3.508 -16.345 3 H3 LYS 1 H3 LYS 1 2.990 3.191 -15.991 4 HA LYS 1 HA LYS 1 3.874 4.386 -14.206 5 HB2 LYS 1 HB2 LYS 1 3.686 1.422 -13.604 6 HB3 LYS 1 HB3 LYS 1 3.634 2.683 -12.386 7 HG2 LYS 1 HG2 LYS 1 1.514 3.411 -13.059 8 HG3 LYS 1 HG3 LYS 1 1.629 2.591 -14.623 9 HD2 LYS 1 HD2 LYS 1 0.756 0.733 -13.775 10 HD3 LYS 1 HD3 LYS 1 1.930 0.719 -12.461 11 HE2 LYS 1 HE2 LYS 1 -0.223 0.810 -11.484 12 HE3 LYS 1 HE3 LYS 1 0.514 2.396 -11.283 13 HZ1 LYS 1 HZ1 LYS 1 -0.811 2.645 -13.627 14 HZ2 LYS 1 HZ2 LYS 1 -1.401 3.146 -12.124 15 HZ3 LYS 1 HZ3 LYS 1 -1.849 1.639 -12.746 16 H LEU 2 H LEU 2 5.236 3.886 -12.102 17 HA LEU 2 HA LEU 2 7.761 4.524 -12.441 18 HB2 LEU 2 HB2 LEU 2 8.166 4.012 -10.218 19 HB3 LEU 2 HB3 LEU 2 6.458 4.348 -10.328 20 HG LEU 2 HG LEU 2 7.778 1.703 -10.070 21 HD11 LEU 2 HD11 LEU 2 7.431 2.538 -7.937 22 HD12 LEU 2 HD12 LEU 2 5.943 1.620 -8.288 23 HD13 LEU 2 HD13 LEU 2 5.966 3.383 -8.449 24 HD21 LEU 2 HD21 LEU 2 6.052 1.745 -11.737 25 HD22 LEU 2 HD22 LEU 2 4.914 2.278 -10.450 26 HD23 LEU 2 HD23 LEU 2 5.698 0.702 -10.346 27 HA PRO 3 HA PRO 3 10.942 1.880 -13.741 28 HB2 PRO 3 HB2 PRO 3 11.862 1.795 -10.974 29 HB3 PRO 3 HB3 PRO 3 12.724 2.253 -12.434 30 HG2 PRO 3 HG2 PRO 3 11.798 4.078 -10.713 31 HG3 PRO 3 HG3 PRO 3 11.852 4.377 -12.447 32 HD2 PRO 3 HD2 PRO 3 9.539 3.828 -10.694 33 HD3 PRO 3 HD3 PRO 3 9.616 4.725 -12.190 34 HA PRO 4 HA PRO 4 10.595 -2.421 -13.225 35 HB2 PRO 4 HB2 PRO 4 13.480 -2.202 -12.930 36 HB3 PRO 4 HB3 PRO 4 12.538 -3.272 -13.923 37 HG2 PRO 4 HG2 PRO 4 13.555 -1.326 -15.145 38 HG3 PRO 4 HG3 PRO 4 11.813 -1.494 -15.282 39 HD2 PRO 4 HD2 PRO 4 13.280 0.214 -13.424 40 HD3 PRO 4 HD3 PRO 4 12.068 0.647 -14.597 41 H GLY 5 H GLY 5 10.607 -4.013 -11.839 42 HA2 GLY 5 HA2 GLY 5 10.788 -5.091 -9.820 43 HA3 GLY 5 HA3 GLY 5 11.967 -3.877 -9.384 44 H TRP 6 H TRP 6 9.930 -1.685 -9.993 45 HA TRP 6 HA TRP 6 8.903 -1.451 -7.376 46 HB2 TRP 6 HB2 TRP 6 8.745 0.136 -9.855 47 HB3 TRP 6 HB3 TRP 6 7.578 0.438 -8.639 48 HD1 TRP 6 HD1 TRP 6 10.383 1.816 -9.897 49 HE1 TRP 6 HE1 TRP 6 11.852 3.088 -8.232 50 HE3 TRP 6 HE3 TRP 6 8.265 0.198 -5.736 51 HZ2 TRP 6 HZ2 TRP 6 11.981 3.364 -5.398 52 HZ3 TRP 6 HZ3 TRP 6 9.035 0.987 -3.600 53 HH2 TRP 6 HH2 TRP 6 10.778 2.528 -3.409 54 H GLU 7 H GLU 7 6.852 -1.673 -6.656 55 HA GLU 7 HA GLU 7 4.701 -2.058 -8.510 56 HB2 GLU 7 HB2 GLU 7 5.370 -4.241 -6.534 57 HB3 GLU 7 HB3 GLU 7 3.885 -4.125 -7.462 58 HG2 GLU 7 HG2 GLU 7 6.558 -4.270 -8.808 59 HG3 GLU 7 HG3 GLU 7 5.709 -5.720 -8.284 60 H LYS 8 H LYS 8 3.489 -0.542 -7.803 61 HA LYS 8 HA LYS 8 3.362 0.628 -5.319 62 HB2 LYS 8 HB2 LYS 8 2.074 1.316 -7.525 63 HB3 LYS 8 HB3 LYS 8 0.848 0.144 -7.029 64 HG2 LYS 8 HG2 LYS 8 0.471 1.372 -4.948 65 HG3 LYS 8 HG3 LYS 8 1.693 2.553 -5.420 66 HD2 LYS 8 HD2 LYS 8 0.279 2.896 -7.530 67 HD3 LYS 8 HD3 LYS 8 -0.989 2.025 -6.667 68 HE2 LYS 8 HE2 LYS 8 -1.566 3.920 -5.666 69 HE3 LYS 8 HE3 LYS 8 0.011 3.955 -4.880 70 HZ1 LYS 8 HZ1 LYS 8 -0.094 5.969 -5.983 71 HZ2 LYS 8 HZ2 LYS 8 -0.850 5.319 -7.348 72 HZ3 LYS 8 HZ3 LYS 8 0.789 5.015 -7.066 73 H ARG 9 H ARG 9 2.530 0.012 -3.342 74 HA ARG 9 HA ARG 9 0.812 -2.385 -3.257 75 HB2 ARG 9 HB2 ARG 9 3.383 -2.375 -2.406 76 HB3 ARG 9 HB3 ARG 9 2.564 -1.897 -0.926 77 HG2 ARG 9 HG2 ARG 9 1.493 -3.906 -0.700 78 HG3 ARG 9 HG3 ARG 9 1.527 -4.243 -2.432 79 HD2 ARG 9 HD2 ARG 9 3.861 -4.386 -0.530 80 HD3 ARG 9 HD3 ARG 9 3.055 -5.735 -1.302 81 HE ARG 9 HE ARG 9 5.009 -4.004 -2.398 82 HH11 ARG 9 HH11 ARG 9 2.343 -6.141 -3.215 83 HH12 ARG 9 HH12 ARG 9 3.111 -6.699 -4.663 84 HH21 ARG 9 HH21 ARG 9 5.962 -4.767 -4.116 85 HH22 ARG 9 HH22 ARG 9 5.221 -5.889 -5.208 86 H CYS 10 H CYS 10 -1.080 -1.145 -3.073 87 HA CYS 10 HA CYS 10 -1.308 0.585 -0.711 88 HB2 CYS 10 HB2 CYS 10 -3.576 0.283 -2.617 89 HB3 CYS 10 HB3 CYS 10 -3.039 1.694 -1.720 90 H PHE 11 H PHE 11 -1.459 -0.859 0.953 91 HA PHE 11 HA PHE 11 -3.692 -2.754 0.869 92 HB2 PHE 11 HB2 PHE 11 -2.650 -3.925 2.725 93 HB3 PHE 11 HB3 PHE 11 -1.438 -3.661 1.468 94 HD1 PHE 11 HD2 PHE 11 -2.672 -2.482 4.741 95 HD2 PHE 11 HD1 PHE 11 0.528 -2.421 1.932 96 HE1 PHE 11 HE2 PHE 11 -1.218 -1.423 6.422 97 HE2 PHE 11 HE1 PHE 11 1.983 -1.360 3.609 98 HZ PHE 11 HZ PHE 11 1.111 -0.860 5.856 99 H TYR 12 H TYR 12 -5.337 -2.677 2.374 100 HA TYR 12 HA TYR 12 -5.622 -0.186 3.852 101 HB2 TYR 12 HB2 TYR 12 -7.484 -2.378 3.025 102 HB3 TYR 12 HB3 TYR 12 -7.904 -1.450 4.466 103 HD1 TYR 12 HD1 TYR 12 -8.437 0.966 4.286 104 HD2 TYR 12 HD2 TYR 12 -7.424 -1.300 0.824 105 HE1 TYR 12 HE1 TYR 12 -9.203 2.723 2.900 106 HE2 TYR 12 HE2 TYR 12 -8.208 0.462 -0.596 107 HH TYR 12 HH TYR 12 -8.803 3.584 0.519 108 H PHE 13 H PHE 13 -5.625 -0.086 6.117 109 HA PHE 13 HA PHE 13 -5.032 -2.656 7.500 110 HB2 PHE 13 HB2 PHE 13 -3.127 -0.905 7.351 111 HB3 PHE 13 HB3 PHE 13 -4.079 0.011 8.524 112 HD1 PHE 13 HD1 PHE 13 -2.349 -3.155 7.917 113 HD2 PHE 13 HD2 PHE 13 -4.159 -0.667 10.844 114 HE1 PHE 13 HE1 PHE 13 -1.373 -4.527 9.679 115 HE2 PHE 13 HE2 PHE 13 -3.160 -1.980 12.624 116 HZ PHE 13 HZ PHE 13 -1.758 -3.945 12.057 117 H ASN 14 H ASN 14 -6.529 -3.226 8.852 118 HA ASN 14 HA ASN 14 -8.326 -1.182 9.793 119 HB2 ASN 14 HB2 ASN 14 -9.590 -3.253 10.721 120 HB3 ASN 14 HB3 ASN 14 -9.693 -2.875 9.030 121 HD21 ASN 14 HD21 ASN 14 -10.476 -5.148 9.091 122 HD22 ASN 14 HD22 ASN 14 -9.288 -6.378 8.891 123 H ARG 15 H ARG 15 -6.776 -0.362 11.321 124 HA ARG 15 HA ARG 15 -5.335 -1.793 13.117 125 HB2 ARG 15 HB2 ARG 15 -4.703 0.332 13.219 126 HB3 ARG 15 HB3 ARG 15 -6.340 0.970 13.064 127 HG2 ARG 15 HG2 ARG 15 -6.069 1.555 15.193 128 HG3 ARG 15 HG3 ARG 15 -6.441 -0.132 15.532 129 HD2 ARG 15 HD2 ARG 15 -4.465 0.347 16.748 130 HD3 ARG 15 HD3 ARG 15 -3.958 -0.584 15.339 131 HE ARG 15 HE ARG 15 -2.798 1.237 14.585 132 HH11 ARG 15 HH11 ARG 15 -4.979 2.287 17.118 133 HH12 ARG 15 HH12 ARG 15 -4.314 3.883 17.195 134 HH21 ARG 15 HH21 ARG 15 -1.928 3.340 14.694 135 HH22 ARG 15 HH22 ARG 15 -2.583 4.481 15.820 136 H ILE 16 H ILE 16 -8.808 -1.744 13.095 137 HA ILE 16 HA ILE 16 -9.297 -2.193 15.794 138 HB ILE 16 HB ILE 16 -10.683 -2.914 13.277 139 HG12 ILE 16 HG12 ILE 16 -11.521 -0.886 13.518 140 HG13 ILE 16 HG13 ILE 16 -12.215 -1.372 15.024 141 HG21 ILE 16 HG21 ILE 16 -11.336 -3.499 16.119 142 HG22 ILE 16 HG22 ILE 16 -11.003 -4.668 14.833 143 HG23 ILE 16 HG23 ILE 16 -12.487 -3.684 14.788 144 HD11 ILE 16 HD11 ILE 16 -10.722 -0.211 16.246 145 HD12 ILE 16 HD12 ILE 16 -10.671 0.752 14.763 146 HD13 ILE 16 HD13 ILE 16 -9.423 -0.458 15.080 147 H THR 17 H THR 17 -8.944 -4.175 12.980 148 HA THR 17 HA THR 17 -8.393 -6.507 14.524 149 HB THR 17 HB THR 17 -9.222 -7.791 12.869 150 HG1 THR 17 HG1 THR 17 -7.707 -7.088 11.298 151 HG21 THR 17 HG21 THR 17 -11.218 -6.855 12.096 152 HG22 THR 17 HG22 THR 17 -10.548 -5.207 12.118 153 HG23 THR 17 HG23 THR 17 -10.843 -6.069 13.632 154 H GLY 18 H GLY 18 -6.811 -4.077 13.769 155 HA2 GLY 18 HA2 GLY 18 -4.867 -3.488 12.698 156 HA3 GLY 18 HA3 GLY 18 -4.245 -4.572 13.900 157 H LYS 19 H LYS 19 -6.242 -5.380 11.100 158 HA LYS 19 HA LYS 19 -3.976 -6.965 10.114 159 HB2 LYS 19 HB2 LYS 19 -5.356 -8.637 9.516 160 HB3 LYS 19 HB3 LYS 19 -6.280 -7.966 10.875 161 HG2 LYS 19 HG2 LYS 19 -7.863 -7.101 9.536 162 HG3 LYS 19 HG3 LYS 19 -6.755 -6.875 8.179 163 HD2 LYS 19 HD2 LYS 19 -7.587 -9.613 9.095 164 HD3 LYS 19 HD3 LYS 19 -8.568 -8.688 7.956 165 HE2 LYS 19 HE2 LYS 19 -5.755 -8.731 7.224 166 HE3 LYS 19 HE3 LYS 19 -6.445 -10.349 7.330 167 HZ1 LYS 19 HZ1 LYS 19 -6.603 -9.171 5.111 168 HZ2 LYS 19 HZ2 LYS 19 -7.777 -8.182 5.820 169 HZ3 LYS 19 HZ3 LYS 19 -8.033 -9.849 5.708 170 H ARG 20 H ARG 20 -3.993 -7.354 7.716 171 HA ARG 20 HA ARG 20 -4.649 -4.825 6.415 172 HB2 ARG 20 HB2 ARG 20 -2.591 -4.747 5.293 173 HB3 ARG 20 HB3 ARG 20 -2.220 -5.254 6.961 174 HG2 ARG 20 HG2 ARG 20 -1.362 -7.198 6.294 175 HG3 ARG 20 HG3 ARG 20 -2.672 -7.495 5.152 176 HD2 ARG 20 HD2 ARG 20 -0.905 -7.267 3.709 177 HD3 ARG 20 HD3 ARG 20 -1.481 -5.603 3.778 178 HE ARG 20 HE ARG 20 0.419 -5.004 4.952 179 HH11 ARG 20 HH11 ARG 20 0.311 -8.487 4.570 180 HH12 ARG 20 HH12 ARG 20 1.950 -8.714 5.075 181 HH21 ARG 20 HH21 ARG 20 2.577 -5.315 5.619 182 HH22 ARG 20 HH22 ARG 20 3.236 -6.916 5.672 183 H GLN 21 H GLN 21 -5.221 -4.699 4.373 184 HA GLN 21 HA GLN 21 -5.876 -7.180 2.929 185 HB2 GLN 21 HB2 GLN 21 -7.399 -4.653 2.734 186 HB3 GLN 21 HB3 GLN 21 -7.933 -6.266 2.275 187 HG2 GLN 21 HG2 GLN 21 -7.508 -6.305 5.025 188 HG3 GLN 21 HG3 GLN 21 -8.202 -4.775 4.651 189 HE21 GLN 21 HE21 GLN 21 -10.042 -4.974 2.984 190 HE22 GLN 21 HE22 GLN 21 -11.214 -6.153 3.397 191 H PHE 22 H PHE 22 -6.092 -6.723 0.545 192 HA PHE 22 HA PHE 22 -4.348 -4.480 -0.300 193 HB2 PHE 22 HB2 PHE 22 -4.973 -7.154 -1.571 194 HB3 PHE 22 HB3 PHE 22 -4.207 -5.848 -2.469 195 HD1 PHE 22 HD2 PHE 22 -2.056 -4.851 -1.370 196 HD2 PHE 22 HD1 PHE 22 -3.647 -8.670 -0.442 197 HE1 PHE 22 HE2 PHE 22 0.129 -5.547 -0.523 198 HE2 PHE 22 HE1 PHE 22 -1.466 -9.378 0.411 199 HZ PHE 22 HZ PHE 22 0.408 -7.808 0.363 200 H GLU 23 H GLU 23 -7.074 -4.419 0.485 201 HA GLU 23 HA GLU 23 -8.490 -3.369 -1.835 202 HB2 GLU 23 HB2 GLU 23 -9.857 -5.143 -1.779 203 HB3 GLU 23 HB3 GLU 23 -8.993 -5.790 -0.376 204 HG2 GLU 23 HG2 GLU 23 -10.372 -4.336 1.096 205 HG3 GLU 23 HG3 GLU 23 -11.278 -3.840 -0.335 206 H ARG 24 H ARG 24 -10.194 -2.089 -1.426 207 HA ARG 24 HA ARG 24 -10.136 -0.656 1.101 208 HB2 ARG 24 HB2 ARG 24 -10.268 0.705 -0.848 209 HB3 ARG 24 HB3 ARG 24 -11.657 -0.190 -1.456 210 HG2 ARG 24 HG2 ARG 24 -12.761 0.470 0.729 211 HG3 ARG 24 HG3 ARG 24 -11.464 1.664 0.846 212 HD2 ARG 24 HD2 ARG 24 -12.473 1.805 -1.771 213 HD3 ARG 24 HD3 ARG 24 -13.873 1.746 -0.707 214 HE ARG 24 HE ARG 24 -13.294 3.786 0.190 215 HH11 ARG 24 HH11 ARG 24 -10.858 2.742 -2.104 216 HH12 ARG 24 HH12 ARG 24 -10.101 4.295 -2.191 217 HH21 ARG 24 HH21 ARG 24 -12.286 5.829 0.069 218 HH22 ARG 24 HH22 ARG 24 -10.909 6.046 -0.959 219 HA PRO 25 HA PRO 25 -12.892 -3.877 2.474 220 HB2 PRO 25 HB2 PRO 25 -12.773 -2.318 4.844 221 HB3 PRO 25 HB3 PRO 25 -12.341 -3.991 4.601 222 HG2 PRO 25 HG2 PRO 25 -10.476 -2.159 5.028 223 HG3 PRO 25 HG3 PRO 25 -10.220 -3.445 3.909 224 HD2 PRO 25 HD2 PRO 25 -10.886 -0.594 3.294 225 HD3 PRO 25 HD3 PRO 25 -9.777 -1.738 2.499 226 H SER 26 H SER 26 -14.934 -4.085 3.081 227 HA SER 26 HA SER 26 -16.638 -1.988 2.328 228 HB2 SER 26 HB2 SER 26 -17.318 -4.623 3.501 229 HB3 SER 26 HB3 SER 26 -18.434 -3.410 2.844 230 HG SER 26 HG SER 26 -16.666 -5.123 1.516 231 H ASP 27 H ASP 27 -17.937 -0.975 3.308 232 HA ASP 27 HA ASP 27 -17.388 0.283 5.597 233 HB2 ASP 27 HB2 ASP 27 -18.927 1.596 4.833 234 HB3 ASP 27 HB3 ASP 27 -19.215 0.403 3.567 235 H1 LYS 1 H1 LYS 1 -17.234 7.499 2.794 236 H2 LYS 1 H2 LYS 1 -17.710 6.349 3.976 237 H3 LYS 1 H3 LYS 1 -17.231 5.828 2.413 238 HA LYS 1 HA LYS 1 -15.030 6.563 2.774 239 HB2 LYS 1 HB2 LYS 1 -14.353 7.570 4.863 240 HB3 LYS 1 HB3 LYS 1 -15.688 8.496 4.193 241 HG2 LYS 1 HG2 LYS 1 -16.947 8.150 5.990 242 HG3 LYS 1 HG3 LYS 1 -16.615 6.417 5.984 243 HD2 LYS 1 HD2 LYS 1 -14.499 6.805 7.127 244 HD3 LYS 1 HD3 LYS 1 -14.785 8.544 7.096 245 HE2 LYS 1 HE2 LYS 1 -16.464 6.489 8.516 246 HE3 LYS 1 HE3 LYS 1 -15.313 7.588 9.269 247 HZ1 LYS 1 HZ1 LYS 1 -17.391 8.580 9.569 248 HZ2 LYS 1 HZ2 LYS 1 -17.899 8.244 7.992 249 HZ3 LYS 1 HZ3 LYS 1 -16.721 9.426 8.266 250 H LEU 2 H LEU 2 -13.419 5.449 4.282 251 HA LEU 2 HA LEU 2 -13.821 2.736 4.381 252 HB2 LEU 2 HB2 LEU 2 -12.038 4.568 5.888 253 HB3 LEU 2 HB3 LEU 2 -12.042 2.849 6.161 254 HG LEU 2 HG LEU 2 -11.425 4.154 3.532 255 HD11 LEU 2 HD11 LEU 2 -9.236 2.769 4.549 256 HD12 LEU 2 HD12 LEU 2 -9.929 3.641 5.923 257 HD13 LEU 2 HD13 LEU 2 -9.464 4.528 4.471 258 HD21 LEU 2 HD21 LEU 2 -11.632 2.128 2.649 259 HD22 LEU 2 HD22 LEU 2 -12.137 1.484 4.214 260 HD23 LEU 2 HD23 LEU 2 -10.425 1.527 3.796 261 HA PRO 3 HA PRO 3 -16.054 1.616 8.058 262 HB2 PRO 3 HB2 PRO 3 -14.394 -0.727 8.128 263 HB3 PRO 3 HB3 PRO 3 -16.119 -0.600 7.821 264 HG2 PRO 3 HG2 PRO 3 -14.415 -1.246 5.860 265 HG3 PRO 3 HG3 PRO 3 -15.829 -0.251 5.564 266 HD2 PRO 3 HD2 PRO 3 -12.978 0.616 5.895 267 HD3 PRO 3 HD3 PRO 3 -14.187 1.081 4.701 268 HA PRO 4 HA PRO 4 -13.788 2.634 11.624 269 HB2 PRO 4 HB2 PRO 4 -14.770 0.038 12.508 270 HB3 PRO 4 HB3 PRO 4 -14.682 1.549 13.362 271 HG2 PRO 4 HG2 PRO 4 -16.951 1.013 12.409 272 HG3 PRO 4 HG3 PRO 4 -16.258 2.546 11.916 273 HD2 PRO 4 HD2 PRO 4 -16.237 0.027 10.451 274 HD3 PRO 4 HD3 PRO 4 -16.742 1.609 9.928 275 H GLY 5 H GLY 5 -11.934 2.493 12.483 276 HA2 GLY 5 HA2 GLY 5 -9.795 1.838 12.892 277 HA3 GLY 5 HA3 GLY 5 -10.390 0.209 12.709 278 H TRP 6 H TRP 6 -11.133 1.492 9.764 279 HA TRP 6 HA TRP 6 -8.779 0.319 8.598 280 HB2 TRP 6 HB2 TRP 6 -11.401 1.188 7.620 281 HB3 TRP 6 HB3 TRP 6 -10.133 1.108 6.444 282 HD1 TRP 6 HD1 TRP 6 -12.850 -0.645 7.393 283 HE1 TRP 6 HE1 TRP 6 -12.725 -3.162 7.139 284 HE3 TRP 6 HE3 TRP 6 -7.932 -0.990 6.803 285 HZ2 TRP 6 HZ2 TRP 6 -10.669 -5.064 6.607 286 HZ3 TRP 6 HZ3 TRP 6 -6.926 -3.160 6.416 287 HH2 TRP 6 HH2 TRP 6 -8.218 -5.111 6.304 288 H GLU 7 H GLU 7 -7.338 1.293 7.283 289 HA GLU 7 HA GLU 7 -7.639 4.059 6.544 290 HB2 GLU 7 HB2 GLU 7 -4.985 3.497 7.778 291 HB3 GLU 7 HB3 GLU 7 -5.897 4.997 7.721 292 HG2 GLU 7 HG2 GLU 7 -7.454 3.882 9.432 293 HG3 GLU 7 HG3 GLU 7 -6.147 2.719 9.648 294 H LYS 8 H LYS 8 -6.997 4.251 4.516 295 HA LYS 8 HA LYS 8 -5.748 2.025 3.218 296 HB2 LYS 8 HB2 LYS 8 -7.508 3.663 2.162 297 HB3 LYS 8 HB3 LYS 8 -6.177 4.819 2.028 298 HG2 LYS 8 HG2 LYS 8 -5.396 2.269 0.912 299 HG3 LYS 8 HG3 LYS 8 -6.884 2.862 0.175 300 HD2 LYS 8 HD2 LYS 8 -5.610 5.117 0.015 301 HD3 LYS 8 HD3 LYS 8 -4.170 4.119 0.233 302 HE2 LYS 8 HE2 LYS 8 -4.554 2.934 -1.752 303 HE3 LYS 8 HE3 LYS 8 -6.232 3.467 -1.848 304 HZ1 LYS 8 HZ1 LYS 8 -4.782 4.602 -3.445 305 HZ2 LYS 8 HZ2 LYS 8 -3.872 5.242 -2.171 306 HZ3 LYS 8 HZ3 LYS 8 -5.494 5.685 -2.357 307 H ARG 9 H ARG 9 -3.638 1.689 3.041 308 HA ARG 9 HA ARG 9 -1.765 3.964 3.094 309 HB2 ARG 9 HB2 ARG 9 -1.880 1.613 4.872 310 HB3 ARG 9 HB3 ARG 9 -0.287 1.954 4.211 311 HG2 ARG 9 HG2 ARG 9 -1.698 4.295 5.278 312 HG3 ARG 9 HG3 ARG 9 -1.294 3.058 6.470 313 HD2 ARG 9 HD2 ARG 9 0.638 4.383 4.572 314 HD3 ARG 9 HD3 ARG 9 0.507 4.691 6.291 315 HE ARG 9 HE ARG 9 1.644 2.402 4.991 316 HH11 ARG 9 HH11 ARG 9 0.625 3.853 8.026 317 HH12 ARG 9 HH12 ARG 9 1.835 3.017 8.939 318 HH21 ARG 9 HH21 ARG 9 3.160 1.465 6.110 319 HH22 ARG 9 HH22 ARG 9 3.312 1.603 7.830 320 H CYS 10 H CYS 10 -0.249 3.931 1.478 321 HA CYS 10 HA CYS 10 0.164 1.372 0.090 322 HB2 CYS 10 HB2 CYS 10 -1.514 2.546 -1.207 323 HB3 CYS 10 HB3 CYS 10 -0.527 3.998 -1.242 324 H PHE 11 H PHE 11 2.202 0.875 0.068 325 HA PHE 11 HA PHE 11 4.170 3.016 -0.349 326 HB2 PHE 11 HB2 PHE 11 5.835 1.804 0.917 327 HB3 PHE 11 HB3 PHE 11 4.373 1.892 1.909 328 HD1 PHE 11 HD1 PHE 11 6.374 -0.266 -0.310 329 HD2 PHE 11 HD2 PHE 11 3.317 -0.103 2.664 330 HE1 PHE 11 HE1 PHE 11 6.475 -2.728 -0.073 331 HE2 PHE 11 HE2 PHE 11 3.406 -2.560 2.901 332 HZ PHE 11 HZ PHE 11 4.987 -3.875 1.531 333 H TYR 12 H TYR 12 5.477 2.777 -2.089 334 HA TYR 12 HA TYR 12 4.970 0.629 -3.949 335 HB2 TYR 12 HB2 TYR 12 6.498 3.193 -3.987 336 HB3 TYR 12 HB3 TYR 12 7.071 1.922 -5.058 337 HD1 TYR 12 HD1 TYR 12 5.614 1.064 -6.866 338 HD2 TYR 12 HD2 TYR 12 4.354 4.315 -4.423 339 HE1 TYR 12 HE1 TYR 12 3.993 1.631 -8.509 340 HE2 TYR 12 HE2 TYR 12 2.662 4.905 -6.047 341 HH TYR 12 HH TYR 12 2.284 4.559 -8.553 342 H PHE 13 H PHE 13 6.466 -1.028 -4.462 343 HA PHE 13 HA PHE 13 8.936 -1.100 -2.800 344 HB2 PHE 13 HB2 PHE 13 7.045 -2.689 -2.016 345 HB3 PHE 13 HB3 PHE 13 7.418 -3.617 -3.469 346 HD1 PHE 13 HD1 PHE 13 8.689 -2.441 -0.255 347 HD2 PHE 13 HD2 PHE 13 9.516 -4.856 -3.664 348 HE1 PHE 13 HE1 PHE 13 10.529 -3.506 0.952 349 HE2 PHE 13 HE2 PHE 13 11.315 -5.982 -2.466 350 HZ PHE 13 HZ PHE 13 11.855 -5.302 -0.136 351 H ASN 14 H ASN 14 10.588 -1.062 -4.108 352 HA ASN 14 HA ASN 14 10.311 -2.131 -6.769 353 HB2 ASN 14 HB2 ASN 14 12.707 -1.156 -7.003 354 HB3 ASN 14 HB3 ASN 14 11.345 -0.087 -7.035 355 HD21 ASN 14 HD21 ASN 14 13.607 1.082 -6.612 356 HD22 ASN 14 HD22 ASN 14 13.808 1.515 -4.952 357 H ARG 15 H ARG 15 10.326 -4.322 -6.071 358 HA ARG 15 HA ARG 15 12.064 -5.516 -4.384 359 HB2 ARG 15 HB2 ARG 15 10.465 -6.953 -4.977 360 HB3 ARG 15 HB3 ARG 15 10.469 -6.472 -6.672 361 HG2 ARG 15 HG2 ARG 15 11.532 -8.338 -7.146 362 HG3 ARG 15 HG3 ARG 15 12.920 -7.747 -6.242 363 HD2 ARG 15 HD2 ARG 15 10.622 -9.369 -5.147 364 HD3 ARG 15 HD3 ARG 15 12.268 -9.940 -5.419 365 HE ARG 15 HE ARG 15 11.310 -8.366 -3.205 366 HH11 ARG 15 HH11 ARG 15 14.139 -9.300 -5.047 367 HH12 ARG 15 HH12 ARG 15 15.241 -8.960 -3.756 368 HH21 ARG 15 HH21 ARG 15 12.767 -7.918 -1.512 369 HH22 ARG 15 HH22 ARG 15 14.463 -8.176 -1.750 370 H ILE 16 H ILE 16 13.087 -4.062 -7.396 371 HA ILE 16 HA ILE 16 15.312 -5.631 -7.916 372 HB ILE 16 HB ILE 16 14.618 -2.794 -8.421 373 HG12 ILE 16 HG12 ILE 16 13.647 -3.616 -10.223 374 HG13 ILE 16 HG13 ILE 16 15.134 -4.347 -10.715 375 HG21 ILE 16 HG21 ILE 16 16.674 -2.802 -9.792 376 HG22 ILE 16 HG22 ILE 16 17.043 -4.384 -9.086 377 HG23 ILE 16 HG23 ILE 16 16.950 -2.958 -8.042 378 HD11 ILE 16 HD11 ILE 16 13.676 -5.914 -8.760 379 HD12 ILE 16 HD12 ILE 16 14.389 -6.393 -10.296 380 HD13 ILE 16 HD13 ILE 16 12.791 -5.635 -10.264 381 H THR 17 H THR 17 14.753 -2.645 -6.262 382 HA THR 17 HA THR 17 17.203 -2.863 -4.809 383 HB THR 17 HB THR 17 17.378 -0.612 -4.752 384 HG1 THR 17 HG1 THR 17 15.333 -0.319 -3.714 385 HG21 THR 17 HG21 THR 17 16.891 0.245 -6.904 386 HG22 THR 17 HG22 THR 17 15.609 -0.966 -7.157 387 HG23 THR 17 HG23 THR 17 17.301 -1.466 -7.047 388 H GLY 18 H GLY 18 14.540 -4.133 -4.541 389 HA2 GLY 18 HA2 GLY 18 12.804 -4.362 -3.060 390 HA3 GLY 18 HA3 GLY 18 14.122 -4.831 -2.033 391 H LYS 19 H LYS 19 13.588 -1.600 -3.296 392 HA LYS 19 HA LYS 19 13.571 -0.548 -0.630 393 HB2 LYS 19 HB2 LYS 19 13.873 0.464 -3.336 394 HB3 LYS 19 HB3 LYS 19 13.168 1.568 -2.152 395 HG2 LYS 19 HG2 LYS 19 15.089 0.927 -0.692 396 HG3 LYS 19 HG3 LYS 19 15.812 0.227 -2.165 397 HD2 LYS 19 HD2 LYS 19 16.688 2.306 -2.406 398 HD3 LYS 19 HD3 LYS 19 15.089 2.692 -3.045 399 HE2 LYS 19 HE2 LYS 19 14.385 3.611 -0.980 400 HE3 LYS 19 HE3 LYS 19 15.778 2.947 -0.128 401 HZ1 LYS 19 HZ1 LYS 19 15.910 5.369 -0.618 402 HZ2 LYS 19 HZ2 LYS 19 15.991 4.995 -2.265 403 HZ3 LYS 19 HZ3 LYS 19 17.213 4.472 -1.218 404 H ARG 20 H ARG 20 12.075 1.016 0.099 405 HA ARG 20 HA ARG 20 9.419 0.735 -1.052 406 HB2 ARG 20 HB2 ARG 20 8.355 0.473 1.050 407 HB3 ARG 20 HB3 ARG 20 9.683 -0.716 0.923 408 HG2 ARG 20 HG2 ARG 20 10.415 1.810 2.219 409 HG3 ARG 20 HG3 ARG 20 9.219 0.848 3.085 410 HD2 ARG 20 HD2 ARG 20 11.090 -0.106 3.942 411 HD3 ARG 20 HD3 ARG 20 10.941 -1.095 2.491 412 HE ARG 20 HE ARG 20 12.883 -0.182 1.725 413 HH11 ARG 20 HH11 ARG 20 11.621 1.916 4.232 414 HH12 ARG 20 HH12 ARG 20 13.007 2.952 4.232 415 HH21 ARG 20 HH21 ARG 20 14.704 1.191 1.729 416 HH22 ARG 20 HH22 ARG 20 14.757 2.541 2.812 417 H GLN 21 H GLN 21 8.134 2.409 -1.054 418 HA GLN 21 HA GLN 21 8.735 4.791 0.441 419 HB2 GLN 21 HB2 GLN 21 8.394 5.682 -2.166 420 HB3 GLN 21 HB3 GLN 21 9.787 5.894 -1.155 421 HG2 GLN 21 HG2 GLN 21 10.488 3.610 -1.972 422 HG3 GLN 21 HG3 GLN 21 9.202 3.754 -3.126 423 HE21 GLN 21 HE21 GLN 21 9.283 5.847 -4.396 424 HE22 GLN 21 HE22 GLN 21 10.838 6.312 -4.946 425 H PHE 22 H PHE 22 6.853 6.113 0.597 426 HA PHE 22 HA PHE 22 4.403 4.809 -0.271 427 HB2 PHE 22 HB2 PHE 22 4.924 7.413 1.180 428 HB3 PHE 22 HB3 PHE 22 3.315 6.789 0.848 429 HD1 PHE 22 HD2 PHE 22 3.004 4.234 1.670 430 HD2 PHE 22 HD1 PHE 22 5.787 7.022 3.283 431 HE1 PHE 22 HE2 PHE 22 3.085 2.942 3.749 432 HE2 PHE 22 HE1 PHE 22 5.874 5.735 5.367 433 HZ PHE 22 HZ PHE 22 4.520 3.702 5.586 434 H GLU 23 H GLU 23 6.071 5.565 -2.374 435 HA GLU 23 HA GLU 23 4.546 7.548 -3.870 436 HB2 GLU 23 HB2 GLU 23 6.256 8.973 -3.653 437 HB3 GLU 23 HB3 GLU 23 7.227 7.745 -2.826 438 HG2 GLU 23 HG2 GLU 23 7.867 6.819 -5.035 439 HG3 GLU 23 HG3 GLU 23 6.988 8.142 -5.798 440 H ARG 24 H ARG 24 4.810 7.546 -6.024 441 HA ARG 24 HA ARG 24 5.813 5.072 -7.208 442 HB2 ARG 24 HB2 ARG 24 3.525 5.689 -7.783 443 HB3 ARG 24 HB3 ARG 24 4.080 7.249 -8.382 444 HG2 ARG 24 HG2 ARG 24 5.561 5.964 -9.923 445 HG3 ARG 24 HG3 ARG 24 4.620 4.525 -9.487 446 HD2 ARG 24 HD2 ARG 24 2.700 5.334 -10.474 447 HD3 ARG 24 HD3 ARG 24 3.224 7.014 -10.351 448 HE ARG 24 HE ARG 24 3.792 5.132 -12.454 449 HH11 ARG 24 HH11 ARG 24 4.764 8.131 -10.928 450 HH12 ARG 24 HH12 ARG 24 5.583 8.729 -12.330 451 HH21 ARG 24 HH21 ARG 24 4.884 5.936 -14.312 452 HH22 ARG 24 HH22 ARG 24 5.651 7.485 -14.247 453 HA PRO 25 HA PRO 25 9.525 7.491 -7.222 454 HB2 PRO 25 HB2 PRO 25 10.450 5.320 -8.825 455 HB3 PRO 25 HB3 PRO 25 11.051 5.951 -7.323 456 HG2 PRO 25 HG2 PRO 25 9.659 3.654 -7.476 457 HG3 PRO 25 HG3 PRO 25 9.674 4.642 -6.083 458 HD2 PRO 25 HD2 PRO 25 7.493 4.219 -7.947 459 HD3 PRO 25 HD3 PRO 25 7.512 4.782 -6.270 460 H SER 26 H SER 26 10.585 8.748 -8.380 461 HA SER 26 HA SER 26 9.613 9.976 -10.584 462 HB2 SER 26 HB2 SER 26 12.395 9.811 -9.644 463 HB3 SER 26 HB3 SER 26 11.742 11.070 -10.700 464 HG SER 26 HG SER 26 11.301 12.083 -8.906 465 H ASP 27 H ASP 27 11.794 7.478 -10.290 466 HA ASP 27 HA ASP 27 12.474 5.891 -11.763 467 HB2 ASP 27 HB2 ASP 27 10.822 5.496 -13.099 468 HB3 ASP 27 HB3 ASP 27 10.243 7.146 -12.909 Start of MODEL 32 1 H1 LYS 1 H1 LYS 1 3.784 5.130 -16.907 2 H2 LYS 1 H2 LYS 1 5.080 4.252 -17.609 3 H3 LYS 1 H3 LYS 1 5.386 5.386 -16.359 4 HA LYS 1 HA LYS 1 3.637 3.826 -15.154 5 HB2 LYS 1 HB2 LYS 1 5.039 2.267 -17.307 6 HB3 LYS 1 HB3 LYS 1 4.760 1.485 -15.764 7 HG2 LYS 1 HG2 LYS 1 3.066 0.961 -17.479 8 HG3 LYS 1 HG3 LYS 1 2.374 1.671 -16.026 9 HD2 LYS 1 HD2 LYS 1 3.014 3.758 -17.891 10 HD3 LYS 1 HD3 LYS 1 2.088 2.509 -18.711 11 HE2 LYS 1 HE2 LYS 1 0.624 4.195 -17.783 12 HE3 LYS 1 HE3 LYS 1 0.366 2.639 -17.002 13 HZ1 LYS 1 HZ1 LYS 1 0.399 4.475 -15.414 14 HZ2 LYS 1 HZ2 LYS 1 1.975 4.871 -15.879 15 HZ3 LYS 1 HZ3 LYS 1 1.665 3.392 -15.121 16 H LEU 2 H LEU 2 4.724 2.328 -13.524 17 HA LEU 2 HA LEU 2 6.690 3.604 -12.104 18 HB2 LEU 2 HB2 LEU 2 5.841 0.765 -12.265 19 HB3 LEU 2 HB3 LEU 2 7.134 1.283 -11.221 20 HG LEU 2 HG LEU 2 4.316 2.297 -11.066 21 HD11 LEU 2 HD11 LEU 2 5.702 -0.031 -10.074 22 HD12 LEU 2 HD12 LEU 2 3.976 0.329 -10.116 23 HD13 LEU 2 HD13 LEU 2 4.978 0.921 -8.773 24 HD21 LEU 2 HD21 LEU 2 5.818 2.609 -8.694 25 HD22 LEU 2 HD22 LEU 2 5.114 3.867 -9.716 26 HD23 LEU 2 HD23 LEU 2 6.758 3.302 -10.013 27 HA PRO 3 HA PRO 3 10.691 2.667 -13.790 28 HB2 PRO 3 HB2 PRO 3 11.633 2.655 -11.079 29 HB3 PRO 3 HB3 PRO 3 11.990 3.791 -12.372 30 HG2 PRO 3 HG2 PRO 3 10.471 4.503 -10.285 31 HG3 PRO 3 HG3 PRO 3 10.162 5.105 -11.905 32 HD2 PRO 3 HD2 PRO 3 8.748 2.910 -10.432 33 HD3 PRO 3 HD3 PRO 3 8.110 4.257 -11.372 34 HA PRO 4 HA PRO 4 11.499 -1.590 -13.490 35 HB2 PRO 4 HB2 PRO 4 14.166 -0.629 -12.818 36 HB3 PRO 4 HB3 PRO 4 13.675 -1.916 -13.880 37 HG2 PRO 4 HG2 PRO 4 14.237 0.248 -15.042 38 HG3 PRO 4 HG3 PRO 4 12.639 -0.400 -15.362 39 HD2 PRO 4 HD2 PRO 4 13.368 1.676 -13.450 40 HD3 PRO 4 HD3 PRO 4 12.158 1.701 -14.702 41 H GLY 5 H GLY 5 11.470 -3.161 -12.181 42 HA2 GLY 5 HA2 GLY 5 11.460 -4.356 -10.239 43 HA3 GLY 5 HA3 GLY 5 12.585 -3.170 -9.634 44 H TRP 6 H TRP 6 10.100 -1.193 -10.368 45 HA TRP 6 HA TRP 6 9.181 -1.193 -7.644 46 HB2 TRP 6 HB2 TRP 6 8.955 0.602 -9.945 47 HB3 TRP 6 HB3 TRP 6 7.722 0.758 -8.741 48 HD1 TRP 6 HD1 TRP 6 10.540 2.327 -9.769 49 HE1 TRP 6 HE1 TRP 6 11.871 3.520 -7.979 50 HE3 TRP 6 HE3 TRP 6 8.408 0.204 -5.822 51 HZ2 TRP 6 HZ2 TRP 6 11.867 3.595 -5.146 52 HZ3 TRP 6 HZ3 TRP 6 9.079 0.875 -3.607 53 HH2 TRP 6 HH2 TRP 6 10.712 2.506 -3.257 54 H GLU 7 H GLU 7 7.130 -1.435 -6.932 55 HA GLU 7 HA GLU 7 4.975 -1.966 -8.775 56 HB2 GLU 7 HB2 GLU 7 5.778 -4.027 -6.689 57 HB3 GLU 7 HB3 GLU 7 4.310 -4.085 -7.652 58 HG2 GLU 7 HG2 GLU 7 6.970 -4.005 -9.007 59 HG3 GLU 7 HG3 GLU 7 6.372 -5.511 -8.318 60 H LYS 8 H LYS 8 3.233 -0.941 -8.063 61 HA LYS 8 HA LYS 8 3.276 0.317 -5.479 62 HB2 LYS 8 HB2 LYS 8 2.200 1.316 -7.646 63 HB3 LYS 8 HB3 LYS 8 0.904 0.133 -7.424 64 HG2 LYS 8 HG2 LYS 8 0.482 1.116 -5.147 65 HG3 LYS 8 HG3 LYS 8 1.619 2.398 -5.569 66 HD2 LYS 8 HD2 LYS 8 0.151 2.691 -7.677 67 HD3 LYS 8 HD3 LYS 8 -1.053 1.771 -6.773 68 HE2 LYS 8 HE2 LYS 8 -0.682 3.463 -4.897 69 HE3 LYS 8 HE3 LYS 8 0.158 4.439 -6.101 70 HZ1 LYS 8 HZ1 LYS 8 -2.150 5.090 -5.924 71 HZ2 LYS 8 HZ2 LYS 8 -2.660 3.515 -6.270 72 HZ3 LYS 8 HZ3 LYS 8 -1.857 4.422 -7.451 73 H ARG 9 H ARG 9 2.397 -0.436 -3.638 74 HA ARG 9 HA ARG 9 0.461 -2.654 -3.782 75 HB2 ARG 9 HB2 ARG 9 2.714 -2.413 -1.777 76 HB3 ARG 9 HB3 ARG 9 1.520 -3.702 -1.845 77 HG2 ARG 9 HG2 ARG 9 2.403 -4.513 -3.906 78 HG3 ARG 9 HG3 ARG 9 3.458 -3.108 -4.070 79 HD2 ARG 9 HD2 ARG 9 4.662 -5.119 -3.272 80 HD3 ARG 9 HD3 ARG 9 4.722 -3.805 -2.118 81 HE ARG 9 HE ARG 9 3.254 -4.962 -0.763 82 HH11 ARG 9 HH11 ARG 9 4.067 -6.823 -3.634 83 HH12 ARG 9 HH12 ARG 9 3.854 -8.337 -2.824 84 HH21 ARG 9 HH21 ARG 9 3.084 -6.816 0.216 85 HH22 ARG 9 HH22 ARG 9 3.260 -8.345 -0.578 86 H CYS 10 H CYS 10 -1.360 -1.524 -3.287 87 HA CYS 10 HA CYS 10 -1.314 0.196 -0.909 88 HB2 CYS 10 HB2 CYS 10 -3.654 0.007 -2.767 89 HB3 CYS 10 HB3 CYS 10 -3.162 1.340 -1.735 90 H PHE 11 H PHE 11 -1.570 -1.034 0.851 91 HA PHE 11 HA PHE 11 -3.853 -2.876 0.874 92 HB2 PHE 11 HB2 PHE 11 -2.823 -4.098 2.682 93 HB3 PHE 11 HB3 PHE 11 -1.624 -3.898 1.402 94 HD1 PHE 11 HD2 PHE 11 -2.740 -2.565 4.684 95 HD2 PHE 11 HD1 PHE 11 0.442 -2.873 1.862 96 HE1 PHE 11 HE2 PHE 11 -1.183 -1.617 6.334 97 HE2 PHE 11 HE1 PHE 11 1.997 -1.922 3.514 98 HZ PHE 11 HZ PHE 11 1.187 -1.293 5.749 99 H TYR 12 H TYR 12 -5.463 -2.606 2.355 100 HA TYR 12 HA TYR 12 -5.524 -0.105 3.821 101 HB2 TYR 12 HB2 TYR 12 -7.521 -2.161 3.031 102 HB3 TYR 12 HB3 TYR 12 -7.841 -1.301 4.537 103 HD1 TYR 12 HD1 TYR 12 -8.181 1.128 4.525 104 HD2 TYR 12 HD2 TYR 12 -7.583 -0.980 0.892 105 HE1 TYR 12 HE1 TYR 12 -9.057 2.980 3.342 106 HE2 TYR 12 HE2 TYR 12 -8.441 0.883 -0.366 107 HH TYR 12 HH TYR 12 -10.152 3.427 1.070 108 H PHE 13 H PHE 13 -5.393 0.043 6.073 109 HA PHE 13 HA PHE 13 -4.949 -2.547 7.456 110 HB2 PHE 13 HB2 PHE 13 -2.965 -0.896 7.337 111 HB3 PHE 13 HB3 PHE 13 -3.883 0.077 8.495 112 HD1 PHE 13 HD2 PHE 13 -2.495 -3.280 7.924 113 HD2 PHE 13 HD1 PHE 13 -3.844 -0.486 10.824 114 HE1 PHE 13 HE2 PHE 13 -1.621 -4.709 9.693 115 HE2 PHE 13 HE1 PHE 13 -2.965 -1.874 12.617 116 HZ PHE 13 HZ PHE 13 -1.839 -4.014 12.063 117 H ASN 14 H ASN 14 -6.384 -3.086 8.826 118 HA ASN 14 HA ASN 14 -8.283 -1.078 9.672 119 HB2 ASN 14 HB2 ASN 14 -8.946 -3.374 8.682 120 HB3 ASN 14 HB3 ASN 14 -8.515 -4.027 10.206 121 HD21 ASN 14 HD21 ASN 14 -10.018 -0.926 9.829 122 HD22 ASN 14 HD22 ASN 14 -11.520 -1.348 10.555 123 H ARG 15 H ARG 15 -6.549 -0.214 11.101 124 HA ARG 15 HA ARG 15 -5.168 -1.539 12.989 125 HB2 ARG 15 HB2 ARG 15 -4.439 0.512 13.223 126 HB3 ARG 15 HB3 ARG 15 -5.952 1.220 12.662 127 HG2 ARG 15 HG2 ARG 15 -6.795 1.460 14.782 128 HG3 ARG 15 HG3 ARG 15 -5.802 0.160 15.443 129 HD2 ARG 15 HD2 ARG 15 -4.567 2.699 14.423 130 HD3 ARG 15 HD3 ARG 15 -5.201 2.587 16.065 131 HE ARG 15 HE ARG 15 -2.785 1.413 15.054 132 HH11 ARG 15 HH11 ARG 15 -5.267 1.140 17.511 133 HH12 ARG 15 HH12 ARG 15 -4.253 0.270 18.611 134 HH21 ARG 15 HH21 ARG 15 -1.457 0.265 16.508 135 HH22 ARG 15 HH22 ARG 15 -2.091 -0.227 18.043 136 H ILE 16 H ILE 16 -8.662 -1.335 13.087 137 HA ILE 16 HA ILE 16 -9.027 -1.703 15.821 138 HB ILE 16 HB ILE 16 -10.573 -2.389 13.390 139 HG12 ILE 16 HG12 ILE 16 -11.286 -0.314 13.648 140 HG13 ILE 16 HG13 ILE 16 -11.951 -0.762 15.179 141 HG21 ILE 16 HG21 ILE 16 -10.912 -4.117 14.961 142 HG22 ILE 16 HG22 ILE 16 -12.338 -3.048 15.007 143 HG23 ILE 16 HG23 ILE 16 -11.095 -2.937 16.265 144 HD11 ILE 16 HD11 ILE 16 -10.337 0.301 16.351 145 HD12 ILE 16 HD12 ILE 16 -10.341 1.291 14.884 146 HD13 ILE 16 HD13 ILE 16 -9.117 0.034 15.105 147 H THR 17 H THR 17 -8.888 -3.725 13.036 148 HA THR 17 HA THR 17 -8.516 -6.123 14.522 149 HB THR 17 HB THR 17 -9.143 -7.268 12.587 150 HG1 THR 17 HG1 THR 17 -7.854 -6.022 11.115 151 HG21 THR 17 HG21 THR 17 -11.272 -6.340 12.157 152 HG22 THR 17 HG22 THR 17 -10.713 -4.713 12.618 153 HG23 THR 17 HG23 THR 17 -10.836 -5.991 13.834 154 H GLY 18 H GLY 18 -6.699 -3.752 13.698 155 HA2 GLY 18 HA2 GLY 18 -4.673 -3.385 12.690 156 HA3 GLY 18 HA3 GLY 18 -4.167 -4.512 13.906 157 H LYS 19 H LYS 19 -6.279 -5.200 11.222 158 HA LYS 19 HA LYS 19 -4.287 -7.019 10.134 159 HB2 LYS 19 HB2 LYS 19 -5.880 -8.527 9.710 160 HB3 LYS 19 HB3 LYS 19 -6.708 -7.672 11.035 161 HG2 LYS 19 HG2 LYS 19 -8.218 -6.760 9.658 162 HG3 LYS 19 HG3 LYS 19 -7.071 -6.633 8.317 163 HD2 LYS 19 HD2 LYS 19 -7.929 -9.350 9.160 164 HD3 LYS 19 HD3 LYS 19 -9.095 -8.361 8.278 165 HE2 LYS 19 HE2 LYS 19 -7.678 -8.190 6.399 166 HE3 LYS 19 HE3 LYS 19 -6.285 -8.787 7.300 167 HZ1 LYS 19 HZ1 LYS 19 -8.694 -10.408 6.677 168 HZ2 LYS 19 HZ2 LYS 19 -7.264 -10.956 7.396 169 HZ3 LYS 19 HZ3 LYS 19 -7.257 -10.447 5.783 170 H ARG 20 H ARG 20 -4.351 -7.355 7.794 171 HA ARG 20 HA ARG 20 -4.854 -4.790 6.479 172 HB2 ARG 20 HB2 ARG 20 -2.830 -4.941 5.270 173 HB3 ARG 20 HB3 ARG 20 -2.461 -5.432 6.945 174 HG2 ARG 20 HG2 ARG 20 -2.715 -7.817 6.168 175 HG3 ARG 20 HG3 ARG 20 -2.748 -7.187 4.520 176 HD2 ARG 20 HD2 ARG 20 -0.551 -5.974 5.795 177 HD3 ARG 20 HD3 ARG 20 -0.501 -7.680 6.236 178 HE ARG 20 HE ARG 20 -0.902 -7.169 3.421 179 HH11 ARG 20 HH11 ARG 20 1.452 -7.713 5.957 180 HH12 ARG 20 HH12 ARG 20 2.687 -8.239 4.865 181 HH21 ARG 20 HH21 ARG 20 0.733 -7.862 1.988 182 HH22 ARG 20 HH22 ARG 20 2.281 -8.323 2.613 183 H GLN 21 H GLN 21 -5.431 -4.617 4.426 184 HA GLN 21 HA GLN 21 -6.346 -7.015 2.982 185 HB2 GLN 21 HB2 GLN 21 -7.700 -4.372 2.970 186 HB3 GLN 21 HB3 GLN 21 -8.349 -5.905 2.397 187 HG2 GLN 21 HG2 GLN 21 -7.790 -6.069 5.172 188 HG3 GLN 21 HG3 GLN 21 -8.630 -4.607 4.822 189 HE21 GLN 21 HE21 GLN 21 -10.559 -4.851 3.386 190 HE22 GLN 21 HE22 GLN 21 -11.558 -6.204 3.717 191 H PHE 22 H PHE 22 -6.678 -6.399 0.598 192 HA PHE 22 HA PHE 22 -4.807 -4.257 -0.219 193 HB2 PHE 22 HB2 PHE 22 -5.313 -6.983 -1.274 194 HB3 PHE 22 HB3 PHE 22 -5.108 -5.720 -2.480 195 HD1 PHE 22 HD1 PHE 22 -3.458 -6.149 0.818 196 HD2 PHE 22 HD2 PHE 22 -2.990 -6.077 -3.398 197 HE1 PHE 22 HE1 PHE 22 -1.031 -6.293 1.091 198 HE2 PHE 22 HE2 PHE 22 -0.564 -6.221 -3.137 199 HZ PHE 22 HZ PHE 22 0.399 -6.328 -0.892 200 H GLU 23 H GLU 23 -7.485 -4.067 0.628 201 HA GLU 23 HA GLU 23 -8.927 -2.868 -1.608 202 HB2 GLU 23 HB2 GLU 23 -10.360 -4.600 -1.600 203 HB3 GLU 23 HB3 GLU 23 -9.459 -5.352 -0.278 204 HG2 GLU 23 HG2 GLU 23 -10.747 -3.859 1.309 205 HG3 GLU 23 HG3 GLU 23 -11.759 -3.434 -0.070 206 H ARG 24 H ARG 24 -10.720 -1.660 -0.991 207 HA ARG 24 HA ARG 24 -10.485 -0.488 1.661 208 HB2 ARG 24 HB2 ARG 24 -10.466 1.134 -0.103 209 HB3 ARG 24 HB3 ARG 24 -11.945 0.468 -0.790 210 HG2 ARG 24 HG2 ARG 24 -12.972 0.939 1.459 211 HG3 ARG 24 HG3 ARG 24 -11.561 1.964 1.756 212 HD2 ARG 24 HD2 ARG 24 -12.107 3.419 0.023 213 HD3 ARG 24 HD3 ARG 24 -13.171 2.244 -0.748 214 HE ARG 24 HE ARG 24 -13.818 4.101 1.340 215 HH11 ARG 24 HH11 ARG 24 -14.723 1.069 -0.162 216 HH12 ARG 24 HH12 ARG 24 -16.371 1.157 0.359 217 HH21 ARG 24 HH21 ARG 24 -16.001 4.212 2.025 218 HH22 ARG 24 HH22 ARG 24 -17.097 2.941 1.601 219 HA PRO 25 HA PRO 25 -13.101 -3.946 2.698 220 HB2 PRO 25 HB2 PRO 25 -13.559 -2.223 4.937 221 HB3 PRO 25 HB3 PRO 25 -13.041 -3.878 4.882 222 HG2 PRO 25 HG2 PRO 25 -11.360 -1.716 5.272 223 HG3 PRO 25 HG3 PRO 25 -10.880 -3.294 4.788 224 HD2 PRO 25 HD2 PRO 25 -10.660 -0.973 3.248 225 HD3 PRO 25 HD3 PRO 25 -10.296 -2.644 2.813 226 H SER 26 H SER 26 -15.066 -4.503 2.865 227 HA SER 26 HA SER 26 -17.031 -3.679 1.395 228 HB2 SER 26 HB2 SER 26 -17.192 -5.677 2.651 229 HB3 SER 26 HB3 SER 26 -17.349 -4.736 4.140 230 HG SER 26 HG SER 26 -19.210 -5.070 2.038 231 H ASP 27 H ASP 27 -16.497 -2.505 4.503 232 HA ASP 27 HA ASP 27 -17.048 -0.563 5.524 233 HB2 ASP 27 HB2 ASP 27 -16.575 0.916 4.021 234 HB3 ASP 27 HB3 ASP 27 -17.130 -0.145 2.729 235 H1 LYS 1 H1 LYS 1 -15.185 7.936 3.196 236 H2 LYS 1 H2 LYS 1 -15.388 7.297 4.776 237 H3 LYS 1 H3 LYS 1 -16.419 6.788 3.502 238 HA LYS 1 HA LYS 1 -14.663 5.720 2.398 239 HB2 LYS 1 HB2 LYS 1 -12.395 5.756 3.252 240 HB3 LYS 1 HB3 LYS 1 -12.953 7.405 3.019 241 HG2 LYS 1 HG2 LYS 1 -13.460 6.418 5.709 242 HG3 LYS 1 HG3 LYS 1 -11.750 6.401 5.276 243 HD2 LYS 1 HD2 LYS 1 -12.176 8.807 4.433 244 HD3 LYS 1 HD3 LYS 1 -13.643 8.722 5.405 245 HE2 LYS 1 HE2 LYS 1 -11.891 9.744 6.684 246 HE3 LYS 1 HE3 LYS 1 -12.279 8.170 7.371 247 HZ1 LYS 1 HZ1 LYS 1 -10.072 8.444 5.434 248 HZ2 LYS 1 HZ2 LYS 1 -10.302 7.266 6.626 249 HZ3 LYS 1 HZ3 LYS 1 -9.825 8.828 7.063 250 H LEU 2 H LEU 2 -13.431 3.718 3.255 251 HA LEU 2 HA LEU 2 -15.042 1.974 4.386 252 HB2 LEU 2 HB2 LEU 2 -13.270 0.494 4.577 253 HB3 LEU 2 HB3 LEU 2 -12.875 1.569 3.265 254 HG LEU 2 HG LEU 2 -11.778 1.638 6.024 255 HD11 LEU 2 HD11 LEU 2 -9.680 1.535 4.573 256 HD12 LEU 2 HD12 LEU 2 -10.779 0.896 3.341 257 HD13 LEU 2 HD13 LEU 2 -10.572 0.027 4.867 258 HD21 LEU 2 HD21 LEU 2 -10.420 3.431 5.222 259 HD22 LEU 2 HD22 LEU 2 -12.168 3.796 5.216 260 HD23 LEU 2 HD23 LEU 2 -11.311 3.388 3.705 261 HA PRO 3 HA PRO 3 -15.935 1.670 8.592 262 HB2 PRO 3 HB2 PRO 3 -14.154 -0.638 8.724 263 HB3 PRO 3 HB3 PRO 3 -15.846 -0.487 9.170 264 HG2 PRO 3 HG2 PRO 3 -15.071 -1.654 6.885 265 HG3 PRO 3 HG3 PRO 3 -16.587 -0.770 7.029 266 HD2 PRO 3 HD2 PRO 3 -14.097 -0.042 5.637 267 HD3 PRO 3 HD3 PRO 3 -15.733 0.492 5.348 268 HA PRO 4 HA PRO 4 -13.268 3.356 11.577 269 HB2 PRO 4 HB2 PRO 4 -14.246 1.077 13.103 270 HB3 PRO 4 HB3 PRO 4 -14.098 2.747 13.564 271 HG2 PRO 4 HG2 PRO 4 -16.422 2.043 12.928 272 HG3 PRO 4 HG3 PRO 4 -15.761 3.392 12.022 273 HD2 PRO 4 HD2 PRO 4 -15.796 0.582 11.239 274 HD3 PRO 4 HD3 PRO 4 -16.421 1.971 10.394 275 H GLY 5 H GLY 5 -11.391 3.170 12.549 276 HA2 GLY 5 HA2 GLY 5 -9.327 2.313 13.048 277 HA3 GLY 5 HA3 GLY 5 -10.051 0.737 12.849 278 H TRP 6 H TRP 6 -10.835 1.766 9.958 279 HA TRP 6 HA TRP 6 -8.563 0.603 8.719 280 HB2 TRP 6 HB2 TRP 6 -11.169 1.629 7.778 281 HB3 TRP 6 HB3 TRP 6 -9.906 1.425 6.634 282 HD1 TRP 6 HD1 TRP 6 -12.753 -0.105 7.647 283 HE1 TRP 6 HE1 TRP 6 -12.756 -2.655 7.448 284 HE3 TRP 6 HE3 TRP 6 -7.880 -0.769 6.852 285 HZ2 TRP 6 HZ2 TRP 6 -10.844 -4.691 6.931 286 HZ3 TRP 6 HZ3 TRP 6 -7.013 -3.000 6.463 287 HH2 TRP 6 HH2 TRP 6 -8.416 -4.882 6.470 288 H GLU 7 H GLU 7 -7.216 1.521 7.261 289 HA GLU 7 HA GLU 7 -7.500 4.199 6.410 290 HB2 GLU 7 HB2 GLU 7 -4.939 4.472 7.409 291 HB3 GLU 7 HB3 GLU 7 -6.379 5.290 7.982 292 HG2 GLU 7 HG2 GLU 7 -5.563 4.435 9.935 293 HG3 GLU 7 HG3 GLU 7 -6.671 3.159 9.449 294 H LYS 8 H LYS 8 -7.224 3.742 4.452 295 HA LYS 8 HA LYS 8 -5.832 1.732 3.235 296 HB2 LYS 8 HB2 LYS 8 -7.321 3.636 2.121 297 HB3 LYS 8 HB3 LYS 8 -5.820 4.562 2.036 298 HG2 LYS 8 HG2 LYS 8 -4.783 2.824 0.671 299 HG3 LYS 8 HG3 LYS 8 -6.258 1.865 0.753 300 HD2 LYS 8 HD2 LYS 8 -7.425 3.299 -0.628 301 HD3 LYS 8 HD3 LYS 8 -6.394 4.677 -0.240 302 HE2 LYS 8 HE2 LYS 8 -4.612 2.988 -1.406 303 HE3 LYS 8 HE3 LYS 8 -6.085 2.596 -2.291 304 HZ1 LYS 8 HZ1 LYS 8 -4.612 5.138 -2.176 305 HZ2 LYS 8 HZ2 LYS 8 -6.273 5.160 -2.493 306 HZ3 LYS 8 HZ3 LYS 8 -5.228 4.316 -3.520 307 H ARG 9 H ARG 9 -3.660 1.307 2.829 308 HA ARG 9 HA ARG 9 -1.683 3.443 3.203 309 HB2 ARG 9 HB2 ARG 9 -2.009 2.069 5.333 310 HB3 ARG 9 HB3 ARG 9 -1.300 0.724 4.450 311 HG2 ARG 9 HG2 ARG 9 0.727 2.093 4.075 312 HG3 ARG 9 HG3 ARG 9 0.012 3.360 5.075 313 HD2 ARG 9 HD2 ARG 9 0.693 0.561 5.956 314 HD3 ARG 9 HD3 ARG 9 1.530 2.027 6.413 315 HE ARG 9 HE ARG 9 -1.000 1.075 7.359 316 HH11 ARG 9 HH11 ARG 9 1.278 3.749 7.265 317 HH12 ARG 9 HH12 ARG 9 0.836 4.304 8.844 318 HH21 ARG 9 HH21 ARG 9 -1.457 1.718 9.310 319 HH22 ARG 9 HH22 ARG 9 -0.777 3.133 10.042 320 H CYS 10 H CYS 10 -0.631 3.541 1.306 321 HA CYS 10 HA CYS 10 0.050 0.983 0.005 322 HB2 CYS 10 HB2 CYS 10 -1.568 2.221 -1.336 323 HB3 CYS 10 HB3 CYS 10 -0.547 3.650 -1.298 324 H PHE 11 H PHE 11 2.055 0.498 -0.308 325 HA PHE 11 HA PHE 11 4.065 2.638 -0.317 326 HB2 PHE 11 HB2 PHE 11 5.653 1.232 0.849 327 HB3 PHE 11 HB3 PHE 11 4.163 1.267 1.795 328 HD1 PHE 11 HD1 PHE 11 6.137 -0.764 -0.610 329 HD2 PHE 11 HD2 PHE 11 3.043 -0.732 2.340 330 HE1 PHE 11 HE1 PHE 11 6.122 -3.232 -0.598 331 HE2 PHE 11 HE2 PHE 11 3.022 -3.200 2.348 332 HZ PHE 11 HZ PHE 11 4.563 -4.452 0.879 333 H TYR 12 H TYR 12 5.580 2.505 -1.950 334 HA TYR 12 HA TYR 12 5.056 0.562 -4.045 335 HB2 TYR 12 HB2 TYR 12 6.641 3.098 -3.843 336 HB3 TYR 12 HB3 TYR 12 7.132 1.916 -5.054 337 HD1 TYR 12 HD2 TYR 12 4.418 4.179 -3.986 338 HD2 TYR 12 HD1 TYR 12 5.699 1.431 -6.996 339 HE1 TYR 12 HE2 TYR 12 2.641 4.948 -5.402 340 HE2 TYR 12 HE1 TYR 12 3.942 2.181 -8.412 341 HH TYR 12 HH TYR 12 1.657 4.760 -7.446 342 H PHE 13 H PHE 13 6.531 -1.097 -4.585 343 HA PHE 13 HA PHE 13 8.844 -1.300 -2.734 344 HB2 PHE 13 HB2 PHE 13 7.015 -3.100 -2.487 345 HB3 PHE 13 HB3 PHE 13 7.580 -3.707 -4.050 346 HD1 PHE 13 HD2 PHE 13 8.705 -2.845 -0.648 347 HD2 PHE 13 HD1 PHE 13 9.528 -5.092 -4.167 348 HE1 PHE 13 HE2 PHE 13 10.488 -4.027 0.536 349 HE2 PHE 13 HE1 PHE 13 11.306 -6.306 -3.017 350 HZ PHE 13 HZ PHE 13 11.805 -5.779 -0.637 351 H ASN 14 H ASN 14 10.658 -1.050 -3.646 352 HA ASN 14 HA ASN 14 10.797 -1.287 -6.514 353 HB2 ASN 14 HB2 ASN 14 11.690 0.720 -5.174 354 HB3 ASN 14 HB3 ASN 14 12.998 -0.293 -4.727 355 HD21 ASN 14 HD21 ASN 14 11.533 -0.466 -7.859 356 HD22 ASN 14 HD22 ASN 14 12.865 0.181 -8.736 357 H ARG 15 H ARG 15 10.615 -3.675 -6.189 358 HA ARG 15 HA ARG 15 12.206 -5.313 -4.794 359 HB2 ARG 15 HB2 ARG 15 10.805 -6.668 -5.807 360 HB3 ARG 15 HB3 ARG 15 10.650 -5.629 -7.220 361 HG2 ARG 15 HG2 ARG 15 11.903 -6.988 -8.425 362 HG3 ARG 15 HG3 ARG 15 13.207 -6.921 -7.243 363 HD2 ARG 15 HD2 ARG 15 10.800 -8.736 -7.098 364 HD3 ARG 15 HD3 ARG 15 12.421 -9.223 -7.596 365 HE ARG 15 HE ARG 15 11.474 -8.822 -4.918 366 HH11 ARG 15 HH11 ARG 15 14.328 -8.809 -6.951 367 HH12 ARG 15 HH12 ARG 15 15.413 -9.111 -5.637 368 HH21 ARG 15 HH21 ARG 15 12.911 -9.218 -3.193 369 HH22 ARG 15 HH22 ARG 15 14.610 -9.345 -3.505 370 H ILE 16 H ILE 16 13.494 -3.315 -7.394 371 HA ILE 16 HA ILE 16 15.765 -4.818 -7.956 372 HB ILE 16 HB ILE 16 15.086 -1.938 -8.062 373 HG12 ILE 16 HG12 ILE 16 14.278 -2.536 -10.031 374 HG13 ILE 16 HG13 ILE 16 15.870 -3.008 -10.511 375 HG21 ILE 16 HG21 ILE 16 17.359 -2.117 -7.446 376 HG22 ILE 16 HG22 ILE 16 17.290 -1.720 -9.183 377 HG23 ILE 16 HG23 ILE 16 17.617 -3.380 -8.656 378 HD11 ILE 16 HD11 ILE 16 15.415 -5.214 -10.357 379 HD12 ILE 16 HD12 ILE 16 13.789 -4.610 -10.698 380 HD13 ILE 16 HD13 ILE 16 14.264 -4.988 -9.040 381 H THR 17 H THR 17 14.990 -2.184 -5.888 382 HA THR 17 HA THR 17 17.331 -2.458 -4.297 383 HB THR 17 HB THR 17 16.901 -0.303 -3.518 384 HG1 THR 17 HG1 THR 17 14.632 -0.611 -3.149 385 HG21 THR 17 HG21 THR 17 16.844 0.932 -5.524 386 HG22 THR 17 HG22 THR 17 15.949 -0.362 -6.361 387 HG23 THR 17 HG23 THR 17 17.624 -0.620 -5.855 388 H GLY 18 H GLY 18 14.629 -3.969 -4.517 389 HA2 GLY 18 HA2 GLY 18 12.923 -4.686 -3.163 390 HA3 GLY 18 HA3 GLY 18 14.259 -5.384 -2.305 391 H LYS 19 H LYS 19 13.589 -1.984 -2.693 392 HA LYS 19 HA LYS 19 13.193 -1.758 0.178 393 HB2 LYS 19 HB2 LYS 19 14.429 0.089 0.221 394 HB3 LYS 19 HB3 LYS 19 15.132 -0.619 -1.254 395 HG2 LYS 19 HG2 LYS 19 14.134 0.891 -2.595 396 HG3 LYS 19 HG3 LYS 19 12.746 1.089 -1.515 397 HD2 LYS 19 HD2 LYS 19 14.210 3.109 -1.657 398 HD3 LYS 19 HD3 LYS 19 14.023 2.470 -0.023 399 HE2 LYS 19 HE2 LYS 19 16.307 2.917 -0.195 400 HE3 LYS 19 HE3 LYS 19 16.189 1.182 -0.482 401 HZ1 LYS 19 HZ1 LYS 19 16.793 3.342 -2.382 402 HZ2 LYS 19 HZ2 LYS 19 16.062 1.929 -2.954 403 HZ3 LYS 19 HZ3 LYS 19 17.561 1.849 -2.176 404 H ARG 20 H ARG 20 11.792 -0.062 0.924 405 HA ARG 20 HA ARG 20 9.506 0.257 -0.876 406 HB2 ARG 20 HB2 ARG 20 8.014 -0.106 0.969 407 HB3 ARG 20 HB3 ARG 20 9.240 -1.400 0.954 408 HG2 ARG 20 HG2 ARG 20 9.273 -0.931 3.160 409 HG3 ARG 20 HG3 ARG 20 10.461 0.256 2.621 410 HD2 ARG 20 HD2 ARG 20 8.077 1.594 2.325 411 HD3 ARG 20 HD3 ARG 20 7.811 0.641 3.784 412 HE ARG 20 HE ARG 20 10.319 1.900 3.951 413 HH11 ARG 20 HH11 ARG 20 6.915 2.694 4.026 414 HH12 ARG 20 HH12 ARG 20 7.135 4.095 5.017 415 HH21 ARG 20 HH21 ARG 20 10.609 3.745 5.258 416 HH22 ARG 20 HH22 ARG 20 9.234 4.693 5.718 417 H GLN 21 H GLN 21 8.208 1.991 -0.774 418 HA GLN 21 HA GLN 21 8.858 4.192 0.981 419 HB2 GLN 21 HB2 GLN 21 8.447 5.401 -1.455 420 HB3 GLN 21 HB3 GLN 21 9.913 5.404 -0.533 421 HG2 GLN 21 HG2 GLN 21 10.489 3.284 -1.694 422 HG3 GLN 21 HG3 GLN 21 9.090 3.536 -2.690 423 HE21 GLN 21 HE21 GLN 21 9.044 5.590 -3.917 424 HE22 GLN 21 HE22 GLN 21 10.540 6.185 -4.504 425 H PHE 22 H PHE 22 7.046 5.672 1.170 426 HA PHE 22 HA PHE 22 4.511 4.448 0.359 427 HB2 PHE 22 HB2 PHE 22 5.295 6.659 2.219 428 HB3 PHE 22 HB3 PHE 22 3.665 6.642 1.574 429 HD1 PHE 22 HD1 PHE 22 5.435 3.503 2.236 430 HD2 PHE 22 HD2 PHE 22 2.682 6.358 3.782 431 HE1 PHE 22 HE1 PHE 22 4.759 1.906 3.967 432 HE2 PHE 22 HE2 PHE 22 2.003 4.768 5.519 433 HZ PHE 22 HZ PHE 22 3.049 2.552 5.599 434 H GLU 23 H GLU 23 6.152 5.363 -1.709 435 HA GLU 23 HA GLU 23 4.577 7.498 -2.928 436 HB2 GLU 23 HB2 GLU 23 6.338 8.851 -2.706 437 HB3 GLU 23 HB3 GLU 23 7.340 7.526 -2.088 438 HG2 GLU 23 HG2 GLU 23 7.787 6.809 -4.394 439 HG3 GLU 23 HG3 GLU 23 6.831 8.173 -4.979 440 H ARG 24 H ARG 24 4.548 7.657 -5.032 441 HA ARG 24 HA ARG 24 5.191 5.273 -6.564 442 HB2 ARG 24 HB2 ARG 24 3.035 6.253 -6.970 443 HB3 ARG 24 HB3 ARG 24 3.767 7.825 -7.273 444 HG2 ARG 24 HG2 ARG 24 4.701 7.134 -9.260 445 HG3 ARG 24 HG3 ARG 24 4.459 5.422 -8.882 446 HD2 ARG 24 HD2 ARG 24 1.926 6.439 -8.747 447 HD3 ARG 24 HD3 ARG 24 2.620 7.354 -10.084 448 HE ARG 24 HE ARG 24 1.878 4.608 -10.065 449 HH11 ARG 24 HH11 ARG 24 4.136 6.871 -11.492 450 HH12 ARG 24 HH12 ARG 24 4.370 5.923 -12.922 451 HH21 ARG 24 HH21 ARG 24 2.188 3.366 -11.952 452 HH22 ARG 24 HH22 ARG 24 3.260 3.937 -13.184 453 HA PRO 25 HA PRO 25 9.171 7.249 -6.892 454 HB2 PRO 25 HB2 PRO 25 9.812 4.831 -8.218 455 HB3 PRO 25 HB3 PRO 25 10.484 5.506 -6.755 456 HG2 PRO 25 HG2 PRO 25 8.949 3.349 -6.657 457 HG3 PRO 25 HG3 PRO 25 8.849 4.566 -5.442 458 HD2 PRO 25 HD2 PRO 25 6.974 4.128 -7.741 459 HD3 PRO 25 HD3 PRO 25 6.659 4.492 -6.025 460 H SER 26 H SER 26 10.408 8.098 -8.371 461 HA SER 26 HA SER 26 9.225 8.596 -10.851 462 HB2 SER 26 HB2 SER 26 10.917 10.052 -11.332 463 HB3 SER 26 HB3 SER 26 10.625 10.230 -9.591 464 HG SER 26 HG SER 26 12.514 9.243 -9.157 465 H ASP 27 H ASP 27 9.745 8.206 -12.646 466 HA ASP 27 HA ASP 27 10.368 5.712 -13.446 467 HB2 ASP 27 HB2 ASP 27 9.503 6.454 -15.287 468 HB3 ASP 27 HB3 ASP 27 9.411 8.033 -14.508 Start of MODEL 33 1 H1 LYS 1 H1 LYS 1 5.762 5.874 -17.485 2 H2 LYS 1 H2 LYS 1 7.395 5.434 -17.195 3 H3 LYS 1 H3 LYS 1 6.636 6.619 -16.213 4 HA LYS 1 HA LYS 1 5.145 5.021 -15.340 5 HB2 LYS 1 HB2 LYS 1 5.195 2.726 -16.003 6 HB3 LYS 1 HB3 LYS 1 5.105 3.685 -17.472 7 HG2 LYS 1 HG2 LYS 1 6.869 2.599 -18.246 8 HG3 LYS 1 HG3 LYS 1 7.840 3.295 -16.949 9 HD2 LYS 1 HD2 LYS 1 8.120 0.952 -16.784 10 HD3 LYS 1 HD3 LYS 1 7.012 1.399 -15.490 11 HE2 LYS 1 HE2 LYS 1 6.326 -0.639 -16.679 12 HE3 LYS 1 HE3 LYS 1 5.128 0.648 -16.776 13 HZ1 LYS 1 HZ1 LYS 1 5.609 1.034 -18.999 14 HZ2 LYS 1 HZ2 LYS 1 5.697 -0.651 -18.891 15 HZ3 LYS 1 HZ3 LYS 1 7.116 0.267 -18.927 16 H LEU 2 H LEU 2 5.811 3.211 -13.761 17 HA LEU 2 HA LEU 2 7.790 4.065 -12.050 18 HB2 LEU 2 HB2 LEU 2 6.536 1.413 -12.514 19 HB3 LEU 2 HB3 LEU 2 7.758 1.666 -11.300 20 HG LEU 2 HG LEU 2 5.111 3.072 -11.386 21 HD11 LEU 2 HD11 LEU 2 6.028 0.522 -10.448 22 HD12 LEU 2 HD12 LEU 2 4.389 1.162 -10.555 23 HD13 LEU 2 HD13 LEU 2 5.382 1.489 -9.120 24 HD21 LEU 2 HD21 LEU 2 7.544 3.662 -10.010 25 HD22 LEU 2 HD22 LEU 2 6.339 3.097 -8.850 26 HD23 LEU 2 HD23 LEU 2 5.979 4.478 -9.902 27 HA PRO 3 HA PRO 3 11.736 2.556 -13.419 28 HB2 PRO 3 HB2 PRO 3 12.346 2.210 -10.629 29 HB3 PRO 3 HB3 PRO 3 13.061 3.317 -11.794 30 HG2 PRO 3 HG2 PRO 3 11.479 4.233 -9.849 31 HG3 PRO 3 HG3 PRO 3 11.445 4.920 -11.462 32 HD2 PRO 3 HD2 PRO 3 9.524 2.975 -10.233 33 HD3 PRO 3 HD3 PRO 3 9.229 4.448 -11.154 34 HA PRO 4 HA PRO 4 11.723 -1.786 -13.359 35 HB2 PRO 4 HB2 PRO 4 14.482 -1.387 -12.520 36 HB3 PRO 4 HB3 PRO 4 13.813 -2.480 -13.695 37 HG2 PRO 4 HG2 PRO 4 14.839 -0.389 -14.665 38 HG3 PRO 4 HG3 PRO 4 13.168 -0.699 -15.099 39 HD2 PRO 4 HD2 PRO 4 14.157 1.058 -12.989 40 HD3 PRO 4 HD3 PRO 4 13.066 1.413 -14.299 41 H GLY 5 H GLY 5 11.290 -3.347 -12.126 42 HA2 GLY 5 HA2 GLY 5 11.026 -4.612 -10.237 43 HA3 GLY 5 HA3 GLY 5 12.252 -3.610 -9.506 44 H TRP 6 H TRP 6 10.284 -1.201 -10.271 45 HA TRP 6 HA TRP 6 9.043 -1.186 -7.686 46 HB2 TRP 6 HB2 TRP 6 9.363 0.738 -9.873 47 HB3 TRP 6 HB3 TRP 6 8.014 1.012 -8.824 48 HD1 TRP 6 HD1 TRP 6 11.104 2.247 -9.394 49 HE1 TRP 6 HE1 TRP 6 12.340 3.158 -7.384 50 HE3 TRP 6 HE3 TRP 6 8.267 0.207 -5.870 51 HZ2 TRP 6 HZ2 TRP 6 12.058 3.032 -4.558 52 HZ3 TRP 6 HZ3 TRP 6 8.772 0.638 -3.548 53 HH2 TRP 6 HH2 TRP 6 10.547 2.003 -2.898 54 H GLU 7 H GLU 7 6.912 -1.248 -7.218 55 HA GLU 7 HA GLU 7 4.951 -1.316 -9.335 56 HB2 GLU 7 HB2 GLU 7 5.294 -3.657 -7.428 57 HB3 GLU 7 HB3 GLU 7 3.878 -3.408 -8.438 58 HG2 GLU 7 HG2 GLU 7 6.657 -3.693 -9.547 59 HG3 GLU 7 HG3 GLU 7 5.568 -5.054 -9.293 60 H LYS 8 H LYS 8 3.284 -0.131 -8.739 61 HA LYS 8 HA LYS 8 3.159 0.903 -6.070 62 HB2 LYS 8 HB2 LYS 8 2.500 2.155 -8.291 63 HB3 LYS 8 HB3 LYS 8 1.007 1.206 -8.233 64 HG2 LYS 8 HG2 LYS 8 1.550 2.521 -5.692 65 HG3 LYS 8 HG3 LYS 8 1.418 3.655 -7.037 66 HD2 LYS 8 HD2 LYS 8 -0.640 1.673 -7.247 67 HD3 LYS 8 HD3 LYS 8 -0.663 2.383 -5.632 68 HE2 LYS 8 HE2 LYS 8 -0.644 4.637 -6.707 69 HE3 LYS 8 HE3 LYS 8 -0.820 3.838 -8.269 70 HZ1 LYS 8 HZ1 LYS 8 -2.742 3.726 -6.006 71 HZ2 LYS 8 HZ2 LYS 8 -2.902 2.857 -7.449 72 HZ3 LYS 8 HZ3 LYS 8 -2.956 4.547 -7.470 73 H ARG 9 H ARG 9 2.040 0.053 -4.411 74 HA ARG 9 HA ARG 9 -0.174 -1.819 -4.968 75 HB2 ARG 9 HB2 ARG 9 1.721 -2.156 -2.646 76 HB3 ARG 9 HB3 ARG 9 0.552 -3.311 -3.271 77 HG2 ARG 9 HG2 ARG 9 2.196 -2.867 -5.431 78 HG3 ARG 9 HG3 ARG 9 3.308 -2.821 -4.062 79 HD2 ARG 9 HD2 ARG 9 2.979 -5.096 -5.063 80 HD3 ARG 9 HD3 ARG 9 2.611 -5.005 -3.353 81 HE ARG 9 HE ARG 9 0.495 -5.522 -3.816 82 HH11 ARG 9 HH11 ARG 9 1.980 -4.451 -6.816 83 HH12 ARG 9 HH12 ARG 9 0.747 -5.174 -7.792 84 HH21 ARG 9 HH21 ARG 9 -0.941 -6.466 -5.025 85 HH22 ARG 9 HH22 ARG 9 -0.978 -6.341 -6.753 86 H CYS 10 H CYS 10 -1.908 -1.827 -3.471 87 HA CYS 10 HA CYS 10 -1.813 0.286 -1.422 88 HB2 CYS 10 HB2 CYS 10 -4.222 -0.199 -3.172 89 HB3 CYS 10 HB3 CYS 10 -4.026 1.051 -1.955 90 H PHE 11 H PHE 11 -1.872 -0.781 0.439 91 HA PHE 11 HA PHE 11 -3.843 -2.939 0.731 92 HB2 PHE 11 HB2 PHE 11 -2.547 -3.853 2.543 93 HB3 PHE 11 HB3 PHE 11 -1.419 -3.496 1.233 94 HD1 PHE 11 HD2 PHE 11 -2.700 -2.352 4.496 95 HD2 PHE 11 HD1 PHE 11 0.358 -1.956 1.560 96 HE1 PHE 11 HE2 PHE 11 -1.337 -1.052 6.085 97 HE2 PHE 11 HE1 PHE 11 1.715 -0.649 3.144 98 HZ PHE 11 HZ PHE 11 0.867 -0.196 5.408 99 H TYR 12 H TYR 12 -5.483 -2.703 2.177 100 HA TYR 12 HA TYR 12 -5.880 -0.130 3.438 101 HB2 TYR 12 HB2 TYR 12 -7.532 -2.608 3.058 102 HB3 TYR 12 HB3 TYR 12 -7.931 -1.566 4.419 103 HD1 TYR 12 HD2 TYR 12 -7.784 -1.781 0.744 104 HD2 TYR 12 HD1 TYR 12 -8.843 0.687 4.044 105 HE1 TYR 12 HE2 TYR 12 -8.944 -0.323 -0.756 106 HE2 TYR 12 HE1 TYR 12 -9.986 2.145 2.566 107 HH TYR 12 HH TYR 12 -9.992 2.792 0.155 108 H PHE 13 H PHE 13 -5.732 0.206 5.707 109 HA PHE 13 HA PHE 13 -4.742 -2.152 7.223 110 HB2 PHE 13 HB2 PHE 13 -3.030 -0.278 6.793 111 HB3 PHE 13 HB3 PHE 13 -3.975 0.674 7.943 112 HD1 PHE 13 HD2 PHE 13 -2.054 -2.427 7.524 113 HD2 PHE 13 HD1 PHE 13 -3.791 0.264 10.299 114 HE1 PHE 13 HE2 PHE 13 -0.838 -3.520 9.335 115 HE2 PHE 13 HE1 PHE 13 -2.568 -0.782 12.127 116 HZ PHE 13 HZ PHE 13 -1.078 -2.702 11.656 117 H ASN 14 H ASN 14 -6.068 -2.767 8.678 118 HA ASN 14 HA ASN 14 -8.110 -0.930 9.558 119 HB2 ASN 14 HB2 ASN 14 -8.682 -3.268 8.774 120 HB3 ASN 14 HB3 ASN 14 -7.945 -3.872 10.203 121 HD21 ASN 14 HD21 ASN 14 -9.942 -1.047 9.810 122 HD22 ASN 14 HD22 ASN 14 -11.200 -1.552 10.872 123 H ARG 15 H ARG 15 -6.311 0.206 10.690 124 HA ARG 15 HA ARG 15 -4.664 -0.675 12.594 125 HB2 ARG 15 HB2 ARG 15 -4.218 1.474 12.549 126 HB3 ARG 15 HB3 ARG 15 -5.844 1.897 12.024 127 HG2 ARG 15 HG2 ARG 15 -6.620 2.093 14.235 128 HG3 ARG 15 HG3 ARG 15 -5.184 1.305 14.891 129 HD2 ARG 15 HD2 ARG 15 -5.169 3.956 13.440 130 HD3 ARG 15 HD3 ARG 15 -5.206 3.785 15.193 131 HE ARG 15 HE ARG 15 -2.987 3.085 15.163 132 HH11 ARG 15 HH11 ARG 15 -4.148 3.621 11.898 133 HH12 ARG 15 HH12 ARG 15 -2.563 3.602 11.206 134 HH21 ARG 15 HH21 ARG 15 -0.908 3.063 14.238 135 HH22 ARG 15 HH22 ARG 15 -0.726 3.286 12.531 136 H ILE 16 H ILE 16 -8.163 -0.786 13.077 137 HA ILE 16 HA ILE 16 -8.164 -0.847 15.850 138 HB ILE 16 HB ILE 16 -9.903 -1.998 13.746 139 HG12 ILE 16 HG12 ILE 16 -10.824 0.008 13.833 140 HG13 ILE 16 HG13 ILE 16 -11.198 -0.247 15.501 141 HG21 ILE 16 HG21 ILE 16 -10.037 -2.156 16.714 142 HG22 ILE 16 HG22 ILE 16 -9.858 -3.499 15.575 143 HG23 ILE 16 HG23 ILE 16 -11.383 -2.581 15.646 144 HD11 ILE 16 HD11 ILE 16 -8.498 0.734 14.923 145 HD12 ILE 16 HD12 ILE 16 -9.614 1.173 16.213 146 HD13 ILE 16 HD13 ILE 16 -9.832 1.841 14.591 147 H THR 17 H THR 17 -8.098 -3.192 13.331 148 HA THR 17 HA THR 17 -7.227 -5.257 15.084 149 HB THR 17 HB THR 17 -8.133 -6.794 13.593 150 HG1 THR 17 HG1 THR 17 -7.230 -5.675 11.714 151 HG21 THR 17 HG21 THR 17 -10.388 -6.075 13.424 152 HG22 THR 17 HG22 THR 17 -9.892 -4.362 13.474 153 HG23 THR 17 HG23 THR 17 -9.673 -5.397 14.892 154 H GLY 18 H GLY 18 -5.819 -2.954 13.811 155 HA2 GLY 18 HA2 GLY 18 -4.052 -2.452 12.451 156 HA3 GLY 18 HA3 GLY 18 -3.237 -3.591 13.468 157 H LYS 19 H LYS 19 -5.848 -4.429 11.397 158 HA LYS 19 HA LYS 19 -4.481 -6.480 10.058 159 HB2 LYS 19 HB2 LYS 19 -7.133 -5.321 10.072 160 HB3 LYS 19 HB3 LYS 19 -6.647 -6.120 8.583 161 HG2 LYS 19 HG2 LYS 19 -6.522 -7.315 11.300 162 HG3 LYS 19 HG3 LYS 19 -7.850 -7.543 10.140 163 HD2 LYS 19 HD2 LYS 19 -6.396 -8.659 8.596 164 HD3 LYS 19 HD3 LYS 19 -4.975 -8.258 9.564 165 HE2 LYS 19 HE2 LYS 19 -5.566 -9.770 11.258 166 HE3 LYS 19 HE3 LYS 19 -7.222 -9.910 10.673 167 HZ1 LYS 19 HZ1 LYS 19 -4.776 -10.995 9.391 168 HZ2 LYS 19 HZ2 LYS 19 -6.299 -10.992 8.655 169 HZ3 LYS 19 HZ3 LYS 19 -6.048 -11.874 10.076 170 H ARG 20 H ARG 20 -4.401 -6.752 7.789 171 HA ARG 20 HA ARG 20 -4.361 -4.380 6.171 172 HB2 ARG 20 HB2 ARG 20 -2.220 -4.683 5.252 173 HB3 ARG 20 HB3 ARG 20 -2.069 -4.747 7.031 174 HG2 ARG 20 HG2 ARG 20 -2.199 -7.301 6.729 175 HG3 ARG 20 HG3 ARG 20 -1.805 -6.961 5.042 176 HD2 ARG 20 HD2 ARG 20 0.256 -7.376 6.106 177 HD3 ARG 20 HD3 ARG 20 0.161 -5.626 5.914 178 HE ARG 20 HE ARG 20 -0.772 -6.641 8.459 179 HH11 ARG 20 HH11 ARG 20 1.953 -5.370 6.661 180 HH12 ARG 20 HH12 ARG 20 2.808 -4.867 8.079 181 HH21 ARG 20 HH21 ARG 20 0.359 -5.975 10.320 182 HH22 ARG 20 HH22 ARG 20 1.905 -5.210 10.156 183 H GLN 21 H GLN 21 -4.959 -4.639 4.193 184 HA GLN 21 HA GLN 21 -4.979 -7.234 2.945 185 HB2 GLN 21 HB2 GLN 21 -7.520 -6.254 2.476 186 HB3 GLN 21 HB3 GLN 21 -7.100 -7.701 3.329 187 HG2 GLN 21 HG2 GLN 21 -6.910 -6.283 5.369 188 HG3 GLN 21 HG3 GLN 21 -7.540 -4.970 4.426 189 HE21 GLN 21 HE21 GLN 21 -9.670 -5.396 3.387 190 HE22 GLN 21 HE22 GLN 21 -10.803 -6.297 4.303 191 H PHE 22 H PHE 22 -5.084 -7.033 0.651 192 HA PHE 22 HA PHE 22 -4.575 -4.331 -0.317 193 HB2 PHE 22 HB2 PHE 22 -4.591 -7.056 -1.604 194 HB3 PHE 22 HB3 PHE 22 -4.484 -5.594 -2.574 195 HD1 PHE 22 HD1 PHE 22 -2.594 -3.908 -1.789 196 HD2 PHE 22 HD2 PHE 22 -2.623 -8.066 -0.937 197 HE1 PHE 22 HE1 PHE 22 -0.178 -3.847 -1.432 198 HE2 PHE 22 HE2 PHE 22 -0.207 -8.013 -0.578 199 HZ PHE 22 HZ PHE 22 0.999 -5.902 -0.827 200 H GLU 23 H GLU 23 -7.097 -4.722 0.805 201 HA GLU 23 HA GLU 23 -8.952 -4.291 -1.397 202 HB2 GLU 23 HB2 GLU 23 -9.897 -6.255 -0.893 203 HB3 GLU 23 HB3 GLU 23 -8.880 -6.442 0.546 204 HG2 GLU 23 HG2 GLU 23 -10.416 -5.017 1.815 205 HG3 GLU 23 HG3 GLU 23 -11.429 -4.851 0.380 206 H ARG 24 H ARG 24 -10.685 -3.155 -1.013 207 HA ARG 24 HA ARG 24 -10.631 -1.359 1.270 208 HB2 ARG 24 HB2 ARG 24 -11.025 -0.356 -0.869 209 HB3 ARG 24 HB3 ARG 24 -12.340 -1.479 -1.200 210 HG2 ARG 24 HG2 ARG 24 -13.709 -0.512 0.379 211 HG3 ARG 24 HG3 ARG 24 -12.367 0.358 1.135 212 HD2 ARG 24 HD2 ARG 24 -12.246 1.257 -1.422 213 HD3 ARG 24 HD3 ARG 24 -13.986 1.066 -1.209 214 HE ARG 24 HE ARG 24 -12.313 3.058 -0.068 215 HH11 ARG 24 HH11 ARG 24 -15.210 1.186 0.531 216 HH12 ARG 24 HH12 ARG 24 -15.901 2.368 1.591 217 HH21 ARG 24 HH21 ARG 24 -13.229 4.611 1.326 218 HH22 ARG 24 HH22 ARG 24 -14.778 4.313 2.037 219 HA PRO 25 HA PRO 25 -12.970 -4.624 3.229 220 HB2 PRO 25 HB2 PRO 25 -12.696 -2.909 5.471 221 HB3 PRO 25 HB3 PRO 25 -12.133 -4.547 5.252 222 HG2 PRO 25 HG2 PRO 25 -10.412 -2.541 5.333 223 HG3 PRO 25 HG3 PRO 25 -10.187 -3.859 4.252 224 HD2 PRO 25 HD2 PRO 25 -11.256 -1.130 3.602 225 HD3 PRO 25 HD3 PRO 25 -10.077 -2.157 2.747 226 H SER 26 H SER 26 -14.899 -4.920 4.081 227 HA SER 26 HA SER 26 -16.830 -2.984 3.427 228 HB2 SER 26 HB2 SER 26 -17.178 -5.609 4.759 229 HB3 SER 26 HB3 SER 26 -18.447 -4.509 4.188 230 HG SER 26 HG SER 26 -16.701 -6.138 2.730 231 H ASP 27 H ASP 27 -18.101 -2.035 4.520 232 HA ASP 27 HA ASP 27 -17.404 -0.633 6.675 233 HB2 ASP 27 HB2 ASP 27 -19.146 0.497 6.071 234 HB3 ASP 27 HB3 ASP 27 -19.472 -0.775 4.895 235 H1 LYS 1 H1 LYS 1 -18.246 4.490 2.715 236 H2 LYS 1 H2 LYS 1 -18.449 6.132 3.169 237 H3 LYS 1 H3 LYS 1 -18.609 4.888 4.342 238 HA LYS 1 HA LYS 1 -16.134 5.393 2.839 239 HB2 LYS 1 HB2 LYS 1 -15.357 6.622 4.813 240 HB3 LYS 1 HB3 LYS 1 -16.760 7.401 4.097 241 HG2 LYS 1 HG2 LYS 1 -17.479 5.494 6.172 242 HG3 LYS 1 HG3 LYS 1 -16.417 6.775 6.756 243 HD2 LYS 1 HD2 LYS 1 -18.089 8.244 6.730 244 HD3 LYS 1 HD3 LYS 1 -18.451 7.875 5.045 245 HE2 LYS 1 HE2 LYS 1 -19.344 5.745 6.742 246 HE3 LYS 1 HE3 LYS 1 -19.971 7.286 7.321 247 HZ1 LYS 1 HZ1 LYS 1 -20.546 7.613 4.817 248 HZ2 LYS 1 HZ2 LYS 1 -21.560 6.689 5.805 249 HZ3 LYS 1 HZ3 LYS 1 -20.466 5.924 4.768 250 H LEU 2 H LEU 2 -14.246 4.591 4.193 251 HA LEU 2 HA LEU 2 -14.341 1.882 4.649 252 HB2 LEU 2 HB2 LEU 2 -12.596 4.049 5.694 253 HB3 LEU 2 HB3 LEU 2 -12.381 2.386 6.160 254 HG LEU 2 HG LEU 2 -12.225 3.395 3.340 255 HD11 LEU 2 HD11 LEU 2 -10.399 3.291 5.569 256 HD12 LEU 2 HD12 LEU 2 -10.252 4.125 4.023 257 HD13 LEU 2 HD13 LEU 2 -9.780 2.418 4.164 258 HD21 LEU 2 HD21 LEU 2 -12.295 1.260 2.739 259 HD22 LEU 2 HD22 LEU 2 -12.539 0.777 4.418 260 HD23 LEU 2 HD23 LEU 2 -10.904 0.939 3.777 261 HA PRO 3 HA PRO 3 -15.979 1.070 8.697 262 HB2 PRO 3 HB2 PRO 3 -14.034 -1.036 8.876 263 HB3 PRO 3 HB3 PRO 3 -15.786 -1.148 8.788 264 HG2 PRO 3 HG2 PRO 3 -14.250 -1.898 6.724 265 HG3 PRO 3 HG3 PRO 3 -15.807 -1.121 6.484 266 HD2 PRO 3 HD2 PRO 3 -13.070 0.091 6.303 267 HD3 PRO 3 HD3 PRO 3 -14.463 0.241 5.234 268 HA PRO 4 HA PRO 4 -13.431 2.913 11.691 269 HB2 PRO 4 HB2 PRO 4 -14.104 0.500 13.174 270 HB3 PRO 4 HB3 PRO 4 -14.060 2.159 13.693 271 HG2 PRO 4 HG2 PRO 4 -16.363 1.292 13.139 272 HG3 PRO 4 HG3 PRO 4 -15.855 2.730 12.272 273 HD2 PRO 4 HD2 PRO 4 -15.743 -0.034 11.347 274 HD3 PRO 4 HD3 PRO 4 -16.463 1.356 10.585 275 H GLY 5 H GLY 5 -11.477 3.048 12.247 276 HA2 GLY 5 HA2 GLY 5 -9.275 2.537 12.572 277 HA3 GLY 5 HA3 GLY 5 -9.775 0.867 12.651 278 H TRP 6 H TRP 6 -10.965 1.504 9.721 279 HA TRP 6 HA TRP 6 -8.640 0.457 8.403 280 HB2 TRP 6 HB2 TRP 6 -11.445 0.902 7.686 281 HB3 TRP 6 HB3 TRP 6 -10.331 0.850 6.363 282 HD1 TRP 6 HD1 TRP 6 -12.651 -1.111 7.841 283 HE1 TRP 6 HE1 TRP 6 -12.226 -3.607 7.797 284 HE3 TRP 6 HE3 TRP 6 -7.849 -0.933 6.579 285 HZ2 TRP 6 HZ2 TRP 6 -10.028 -5.301 7.153 286 HZ3 TRP 6 HZ3 TRP 6 -6.633 -3.004 6.238 287 HH2 TRP 6 HH2 TRP 6 -7.656 -5.096 6.480 288 H GLU 7 H GLU 7 -7.416 1.416 6.872 289 HA GLU 7 HA GLU 7 -8.132 4.022 5.851 290 HB2 GLU 7 HB2 GLU 7 -5.315 3.828 6.839 291 HB3 GLU 7 HB3 GLU 7 -6.327 5.247 6.633 292 HG2 GLU 7 HG2 GLU 7 -6.844 5.253 8.782 293 HG3 GLU 7 HG3 GLU 7 -7.404 3.586 8.707 294 H LYS 8 H LYS 8 -7.753 4.028 3.746 295 HA LYS 8 HA LYS 8 -6.410 1.809 2.539 296 HB2 LYS 8 HB2 LYS 8 -8.418 3.146 1.517 297 HB3 LYS 8 HB3 LYS 8 -7.242 4.420 1.161 298 HG2 LYS 8 HG2 LYS 8 -6.039 2.166 0.099 299 HG3 LYS 8 HG3 LYS 8 -7.749 1.938 -0.259 300 HD2 LYS 8 HD2 LYS 8 -6.375 4.549 -0.800 301 HD3 LYS 8 HD3 LYS 8 -6.319 3.221 -1.960 302 HE2 LYS 8 HE2 LYS 8 -8.908 4.257 -0.840 303 HE3 LYS 8 HE3 LYS 8 -8.153 4.973 -2.263 304 HZ1 LYS 8 HZ1 LYS 8 -8.937 2.118 -2.002 305 HZ2 LYS 8 HZ2 LYS 8 -8.274 2.847 -3.377 306 HZ3 LYS 8 HZ3 LYS 8 -9.814 3.298 -2.841 307 H ARG 9 H ARG 9 -4.273 1.664 2.320 308 HA ARG 9 HA ARG 9 -2.664 4.120 2.003 309 HB2 ARG 9 HB2 ARG 9 -2.510 2.868 4.256 310 HB3 ARG 9 HB3 ARG 9 -1.632 1.638 3.357 311 HG2 ARG 9 HG2 ARG 9 0.033 2.976 4.276 312 HG3 ARG 9 HG3 ARG 9 -0.094 3.539 2.609 313 HD2 ARG 9 HD2 ARG 9 0.053 5.397 4.239 314 HD3 ARG 9 HD3 ARG 9 -1.444 5.427 3.330 315 HE ARG 9 HE ARG 9 -2.577 5.031 5.222 316 HH11 ARG 9 HH11 ARG 9 0.825 4.416 5.853 317 HH12 ARG 9 HH12 ARG 9 0.637 4.595 7.564 318 HH21 ARG 9 HH21 ARG 9 -2.765 5.328 7.298 319 HH22 ARG 9 HH22 ARG 9 -1.465 5.111 8.423 320 H CYS 10 H CYS 10 -0.739 3.941 0.706 321 HA CYS 10 HA CYS 10 -0.530 1.484 -0.886 322 HB2 CYS 10 HB2 CYS 10 -0.443 4.179 -2.232 323 HB3 CYS 10 HB3 CYS 10 -0.554 2.592 -2.978 324 H PHE 11 H PHE 11 1.446 0.745 -0.857 325 HA PHE 11 HA PHE 11 3.668 2.666 -0.690 326 HB2 PHE 11 HB2 PHE 11 5.001 1.048 0.515 327 HB3 PHE 11 HB3 PHE 11 3.425 1.131 1.310 328 HD1 PHE 11 HD2 PHE 11 5.590 -0.847 -0.912 329 HD2 PHE 11 HD1 PHE 11 1.993 -0.785 1.383 330 HE1 PHE 11 HE2 PHE 11 5.397 -3.303 -1.144 331 HE2 PHE 11 HE1 PHE 11 1.789 -3.235 1.147 332 HZ PHE 11 HZ PHE 11 3.494 -4.495 -0.119 333 H TYR 12 H TYR 12 5.238 2.533 -2.227 334 HA TYR 12 HA TYR 12 4.806 0.808 -4.512 335 HB2 TYR 12 HB2 TYR 12 6.586 3.143 -3.898 336 HB3 TYR 12 HB3 TYR 12 7.137 2.007 -5.126 337 HD1 TYR 12 HD1 TYR 12 4.582 4.521 -4.278 338 HD2 TYR 12 HD2 TYR 12 5.889 1.752 -7.252 339 HE1 TYR 12 HE1 TYR 12 3.102 5.563 -5.861 340 HE2 TYR 12 HE2 TYR 12 4.435 2.773 -8.826 341 HH TYR 12 HH TYR 12 2.353 4.149 -8.887 342 H PHE 13 H PHE 13 6.168 -0.966 -5.016 343 HA PHE 13 HA PHE 13 8.262 -1.531 -2.982 344 HB2 PHE 13 HB2 PHE 13 6.190 -3.075 -2.966 345 HB3 PHE 13 HB3 PHE 13 6.842 -3.732 -4.469 346 HD1 PHE 13 HD1 PHE 13 7.497 -3.227 -0.892 347 HD2 PHE 13 HD2 PHE 13 8.783 -5.178 -4.446 348 HE1 PHE 13 HE1 PHE 13 8.968 -4.667 0.434 349 HE2 PHE 13 HE2 PHE 13 10.220 -6.665 -3.148 350 HZ PHE 13 HZ PHE 13 10.337 -6.408 -0.681 351 H ASN 14 H ASN 14 10.161 -1.453 -3.781 352 HA ASN 14 HA ASN 14 10.488 -1.688 -6.636 353 HB2 ASN 14 HB2 ASN 14 11.496 0.240 -5.335 354 HB3 ASN 14 HB3 ASN 14 12.606 -0.876 -4.650 355 HD21 ASN 14 HD21 ASN 14 11.411 -0.684 -7.915 356 HD22 ASN 14 HD22 ASN 14 12.942 -0.440 -8.666 357 H ARG 15 H ARG 15 9.971 -4.025 -6.271 358 HA ARG 15 HA ARG 15 11.258 -5.851 -4.815 359 HB2 ARG 15 HB2 ARG 15 9.823 -7.091 -5.918 360 HB3 ARG 15 HB3 ARG 15 9.765 -5.970 -7.273 361 HG2 ARG 15 HG2 ARG 15 11.337 -7.119 -8.477 362 HG3 ARG 15 HG3 ARG 15 12.082 -7.826 -7.042 363 HD2 ARG 15 HD2 ARG 15 10.813 -9.475 -8.407 364 HD3 ARG 15 HD3 ARG 15 10.228 -9.333 -6.749 365 HE ARG 15 HE ARG 15 8.236 -8.540 -7.547 366 HH11 ARG 15 HH11 ARG 15 10.590 -8.421 -10.138 367 HH12 ARG 15 HH12 ARG 15 9.417 -8.028 -11.348 368 HH21 ARG 15 HH21 ARG 15 6.698 -8.023 -9.145 369 HH22 ARG 15 HH22 ARG 15 7.207 -7.802 -10.786 370 H ILE 16 H ILE 16 12.964 -4.087 -7.359 371 HA ILE 16 HA ILE 16 15.011 -5.910 -7.782 372 HB ILE 16 HB ILE 16 14.796 -2.959 -7.922 373 HG12 ILE 16 HG12 ILE 16 14.023 -3.404 -9.943 374 HG13 ILE 16 HG13 ILE 16 15.508 -4.198 -10.331 375 HG21 ILE 16 HG21 ILE 16 17.050 -3.099 -8.940 376 HG22 ILE 16 HG22 ILE 16 17.082 -4.794 -8.426 377 HG23 ILE 16 HG23 ILE 16 16.982 -3.511 -7.211 378 HD11 ILE 16 HD11 ILE 16 13.092 -5.320 -10.537 379 HD12 ILE 16 HD12 ILE 16 13.547 -5.837 -8.912 380 HD13 ILE 16 HD13 ILE 16 14.582 -6.233 -10.281 381 H THR 17 H THR 17 14.530 -3.174 -5.752 382 HA THR 17 HA THR 17 16.681 -3.890 -4.030 383 HB THR 17 HB THR 17 16.819 -1.647 -3.415 384 HG1 THR 17 HG1 THR 17 14.456 -1.451 -3.238 385 HG21 THR 17 HG21 THR 17 17.132 -0.574 -5.507 386 HG22 THR 17 HG22 THR 17 15.994 -1.695 -6.304 387 HG23 THR 17 HG23 THR 17 17.538 -2.287 -5.672 388 H GLY 18 H GLY 18 13.897 -4.924 -4.341 389 HA2 GLY 18 HA2 GLY 18 11.966 -5.276 -3.178 390 HA3 GLY 18 HA3 GLY 18 13.059 -5.908 -1.995 391 H LYS 19 H LYS 19 13.029 -2.614 -2.957 392 HA LYS 19 HA LYS 19 12.717 -1.587 -0.365 393 HB2 LYS 19 HB2 LYS 19 13.075 -0.558 -3.064 394 HB3 LYS 19 HB3 LYS 19 12.293 0.516 -1.909 395 HG2 LYS 19 HG2 LYS 19 14.167 0.126 -0.387 396 HG3 LYS 19 HG3 LYS 19 14.981 -0.765 -1.701 397 HD2 LYS 19 HD2 LYS 19 15.792 1.190 -2.417 398 HD3 LYS 19 HD3 LYS 19 14.141 1.675 -2.807 399 HE2 LYS 19 HE2 LYS 19 14.087 3.151 -1.136 400 HE3 LYS 19 HE3 LYS 19 14.711 1.974 0.018 401 HZ1 LYS 19 HZ1 LYS 19 16.428 3.436 -1.910 402 HZ2 LYS 19 HZ2 LYS 19 16.927 2.495 -0.595 403 HZ3 LYS 19 HZ3 LYS 19 16.139 3.968 -0.330 404 H ARG 20 H ARG 20 11.199 -0.069 0.330 405 HA ARG 20 HA ARG 20 8.650 -0.052 -1.001 406 HB2 ARG 20 HB2 ARG 20 7.357 -0.538 0.926 407 HB3 ARG 20 HB3 ARG 20 8.561 -1.832 0.681 408 HG2 ARG 20 HG2 ARG 20 9.191 0.392 2.556 409 HG3 ARG 20 HG3 ARG 20 8.104 -0.897 3.072 410 HD2 ARG 20 HD2 ARG 20 9.810 -2.559 2.561 411 HD3 ARG 20 HD3 ARG 20 10.893 -1.291 1.991 412 HE ARG 20 HE ARG 20 10.042 -0.854 4.682 413 HH11 ARG 20 HH11 ARG 20 12.310 -2.656 2.714 414 HH12 ARG 20 HH12 ARG 20 13.464 -2.835 3.992 415 HH21 ARG 20 HH21 ARG 20 11.566 -1.093 6.360 416 HH22 ARG 20 HH22 ARG 20 13.042 -1.949 6.062 417 H GLN 21 H GLN 21 7.598 1.738 -0.902 418 HA GLN 21 HA GLN 21 8.190 3.739 1.079 419 HB2 GLN 21 HB2 GLN 21 8.285 5.108 -1.329 420 HB3 GLN 21 HB3 GLN 21 9.552 4.955 -0.158 421 HG2 GLN 21 HG2 GLN 21 10.126 2.795 -1.316 422 HG3 GLN 21 HG3 GLN 21 9.002 3.273 -2.547 423 HE21 GLN 21 HE21 GLN 21 9.467 5.322 -3.652 424 HE22 GLN 21 HE22 GLN 21 11.111 5.765 -3.841 425 H PHE 22 H PHE 22 6.448 5.226 1.267 426 HA PHE 22 HA PHE 22 4.011 4.389 -0.090 427 HB2 PHE 22 HB2 PHE 22 4.619 6.572 1.912 428 HB3 PHE 22 HB3 PHE 22 3.013 6.306 1.248 429 HD1 PHE 22 HD1 PHE 22 2.330 3.650 1.397 430 HD2 PHE 22 HD2 PHE 22 4.960 5.723 4.025 431 HE1 PHE 22 HE1 PHE 22 1.893 1.983 3.139 432 HE2 PHE 22 HE2 PHE 22 4.529 4.060 5.774 433 HZ PHE 22 HZ PHE 22 2.998 2.200 5.317 434 H GLU 23 H GLU 23 6.009 5.283 -1.802 435 HA GLU 23 HA GLU 23 4.923 7.690 -3.028 436 HB2 GLU 23 HB2 GLU 23 6.774 8.782 -2.418 437 HB3 GLU 23 HB3 GLU 23 7.487 7.300 -1.759 438 HG2 GLU 23 HG2 GLU 23 8.253 6.680 -4.015 439 HG3 GLU 23 HG3 GLU 23 7.571 8.183 -4.633 440 H ARG 24 H ARG 24 5.276 7.984 -5.097 441 HA ARG 24 HA ARG 24 6.007 5.645 -6.678 442 HB2 ARG 24 HB2 ARG 24 3.981 6.778 -7.331 443 HB3 ARG 24 HB3 ARG 24 4.830 8.318 -7.453 444 HG2 ARG 24 HG2 ARG 24 6.336 7.105 -9.091 445 HG3 ARG 24 HG3 ARG 24 5.038 5.906 -9.155 446 HD2 ARG 24 HD2 ARG 24 3.829 8.428 -9.384 447 HD3 ARG 24 HD3 ARG 24 5.226 8.458 -10.454 448 HE ARG 24 HE ARG 24 4.282 6.795 -11.754 449 HH11 ARG 24 HH11 ARG 24 2.216 7.554 -9.026 450 HH12 ARG 24 HH12 ARG 24 0.839 6.743 -9.689 451 HH21 ARG 24 HH21 ARG 24 2.461 5.730 -12.618 452 HH22 ARG 24 HH22 ARG 24 0.977 5.708 -11.726 453 HA PRO 25 HA PRO 25 10.088 7.216 -6.049 454 HB2 PRO 25 HB2 PRO 25 10.672 5.215 -8.012 455 HB3 PRO 25 HB3 PRO 25 11.330 5.455 -6.422 456 HG2 PRO 25 HG2 PRO 25 9.612 3.494 -6.907 457 HG3 PRO 25 HG3 PRO 25 9.596 4.352 -5.412 458 HD2 PRO 25 HD2 PRO 25 7.670 4.568 -7.651 459 HD3 PRO 25 HD3 PRO 25 7.458 4.737 -5.892 460 H SER 26 H SER 26 11.449 8.438 -6.899 461 HA SER 26 HA SER 26 10.940 10.301 -8.701 462 HB2 SER 26 HB2 SER 26 12.825 10.441 -7.275 463 HB3 SER 26 HB3 SER 26 13.569 9.074 -8.115 464 HG SER 26 HG SER 26 14.239 10.391 -9.627 465 H ASP 27 H ASP 27 12.322 7.315 -9.253 466 HA ASP 27 HA ASP 27 12.464 5.994 -11.064 467 HB2 ASP 27 HB2 ASP 27 10.466 6.151 -11.881 468 HB3 ASP 27 HB3 ASP 27 10.379 7.866 -11.496
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