NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
569613 | 2mc4 | 19427 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 1H MET 1 -19.050 -19.253 0.996 2 H2 MET 1 2H MET 1 -19.318 -20.056 2.468 3 H3 MET 1 3H MET 1 -18.429 -20.812 1.233 4 HA MET 1 HA MET 1 -17.672 -18.370 2.702 5 HB2 MET 1 1HB MET 1 -17.376 -20.521 3.984 6 HB3 MET 1 2HB MET 1 -16.389 -21.119 2.662 7 HG2 MET 1 1HG MET 1 -14.770 -19.308 3.077 8 HG3 MET 1 2HG MET 1 -15.750 -18.765 4.431 9 HE1 MET 1 3HE MET 1 -13.449 -21.613 3.022 10 HE2 MET 1 1HE MET 1 -14.945 -22.496 3.323 11 HE3 MET 1 2HE MET 1 -13.511 -22.820 4.301 12 H GLU 2 H GLU 2 -17.035 -17.092 1.149 13 HA GLU 2 HA GLU 2 -15.604 -18.191 -1.117 14 HB2 GLU 2 1HB GLU 2 -16.850 -15.450 -0.710 15 HB3 GLU 2 2HB GLU 2 -16.021 -15.962 -2.162 16 HG2 GLU 2 1HG GLU 2 -18.364 -16.067 -2.589 17 HG3 GLU 2 2HG GLU 2 -17.774 -17.719 -2.472 18 HA PRO 3 HA PRO 3 -11.921 -16.478 0.699 19 HB2 PRO 3 1HB PRO 3 -10.624 -16.378 -1.900 20 HB3 PRO 3 2HB PRO 3 -10.320 -17.484 -0.560 21 HG2 PRO 3 1HG PRO 3 -11.461 -18.254 -2.918 22 HG3 PRO 3 2HG PRO 3 -11.759 -19.067 -1.372 23 HD2 PRO 3 1HD PRO 3 -13.447 -17.089 -2.843 24 HD3 PRO 3 2HD PRO 3 -13.917 -18.547 -1.938 25 HA PRO 4 HA PRO 4 -12.657 -12.136 -0.446 26 HB2 PRO 4 1HB PRO 4 -11.160 -11.597 2.030 27 HB3 PRO 4 2HB PRO 4 -12.808 -11.133 1.615 28 HG2 PRO 4 1HG PRO 4 -12.290 -13.007 3.469 29 HG3 PRO 4 2HG PRO 4 -13.711 -13.097 2.414 30 HD2 PRO 4 1HD PRO 4 -11.110 -14.571 2.207 31 HD3 PRO 4 2HD PRO 4 -12.775 -15.147 1.960 32 HA PRO 5 HA PRO 5 -8.632 -11.722 -2.362 33 HB2 PRO 5 1HB PRO 5 -9.300 -8.848 -2.508 34 HB3 PRO 5 2HB PRO 5 -8.882 -9.969 -3.803 35 HG2 PRO 5 1HG PRO 5 -11.395 -9.083 -3.416 36 HG3 PRO 5 2HG PRO 5 -11.049 -10.698 -4.051 37 HD2 PRO 5 1HD PRO 5 -11.980 -9.887 -1.343 38 HD3 PRO 5 2HD PRO 5 -12.278 -11.375 -2.266 39 H LYS 6 H LYS 6 -6.641 -11.208 -1.728 40 HA LYS 6 HA LYS 6 -6.209 -9.698 0.726 41 HB2 LYS 6 1HB LYS 6 -4.262 -11.118 -1.108 42 HB3 LYS 6 2HB LYS 6 -3.829 -10.325 0.390 43 HG2 LYS 6 1HG LYS 6 -5.514 -12.793 0.066 44 HG3 LYS 6 2HG LYS 6 -3.871 -12.698 0.685 45 HD2 LYS 6 1HD LYS 6 -4.760 -11.225 2.519 46 HD3 LYS 6 2HD LYS 6 -6.384 -11.627 1.952 47 HE2 LYS 6 1HE LYS 6 -4.289 -13.521 2.999 48 HE3 LYS 6 2HE LYS 6 -5.808 -13.087 3.777 49 HZ1 LYS 6 3HZ LYS 6 -6.952 -14.152 1.828 50 HZ2 LYS 6 1HZ LYS 6 -6.035 -15.212 2.769 51 HZ3 LYS 6 2HZ LYS 6 -5.449 -14.676 1.299 52 H LEU 7 H LEU 7 -4.777 -7.847 0.679 53 HA LEU 7 HA LEU 7 -5.074 -6.402 -1.804 54 HB2 LEU 7 1HB LEU 7 -3.968 -5.515 0.854 55 HB3 LEU 7 2HB LEU 7 -4.285 -4.477 -0.520 56 HG LEU 7 HG LEU 7 -6.351 -5.951 1.113 57 HD11 LEU 7 1HD1 LEU 7 -5.444 -4.093 2.290 58 HD12 LEU 7 2HD1 LEU 7 -7.065 -3.669 1.716 59 HD13 LEU 7 3HD1 LEU 7 -5.637 -3.056 0.882 60 HD21 LEU 7 3HD2 LEU 7 -7.069 -5.828 -1.209 61 HD22 LEU 7 1HD2 LEU 7 -6.707 -4.100 -1.245 62 HD23 LEU 7 2HD2 LEU 7 -8.004 -4.708 -0.221 63 H VAL 8 H VAL 8 -3.615 -6.833 -3.241 64 HA VAL 8 HA VAL 8 -0.888 -7.412 -2.403 65 HB VAL 8 HB VAL 8 -2.143 -7.756 -5.145 66 HG11 VAL 8 1HG1 VAL 8 0.435 -8.822 -4.004 67 HG12 VAL 8 2HG1 VAL 8 0.280 -7.529 -5.192 68 HG13 VAL 8 3HG1 VAL 8 -0.204 -9.174 -5.611 69 HG21 VAL 8 3HG2 VAL 8 -2.239 -10.164 -4.630 70 HG22 VAL 8 1HG2 VAL 8 -3.250 -9.218 -3.537 71 HG23 VAL 8 2HG2 VAL 8 -1.690 -9.823 -2.988 72 H LEU 9 H LEU 9 0.440 -5.793 -2.406 73 HA LEU 9 HA LEU 9 -0.065 -3.492 -4.137 74 HB2 LEU 9 1HB LEU 9 1.698 -3.723 -1.686 75 HB3 LEU 9 2HB LEU 9 1.536 -2.288 -2.664 76 HG LEU 9 HG LEU 9 0.271 -1.883 -0.752 77 HD11 LEU 9 1HD1 LEU 9 -0.887 -1.204 -2.731 78 HD12 LEU 9 2HD1 LEU 9 -2.027 -1.694 -1.479 79 HD13 LEU 9 3HD1 LEU 9 -1.688 -2.773 -2.829 80 HD21 LEU 9 3HD2 LEU 9 -1.019 -4.588 -1.060 81 HD22 LEU 9 1HD2 LEU 9 -1.435 -3.383 0.159 82 HD23 LEU 9 2HD2 LEU 9 0.165 -4.126 0.163 83 H ASP 10 H ASP 10 1.245 -3.089 -5.730 84 HA ASP 10 HA ASP 10 3.468 -4.877 -6.258 85 HB2 ASP 10 1HB ASP 10 1.820 -3.987 -8.021 86 HB3 ASP 10 2HB ASP 10 2.650 -2.459 -7.852 87 H LEU 11 H LEU 11 5.401 -4.482 -5.497 88 HA LEU 11 HA LEU 11 5.989 -2.005 -4.193 89 HB2 LEU 11 1HB LEU 11 7.734 -4.422 -4.619 90 HB3 LEU 11 2HB LEU 11 8.077 -3.086 -3.539 91 HG LEU 11 HG LEU 11 5.846 -5.094 -3.260 92 HD11 LEU 11 1HD1 LEU 11 8.317 -4.619 -1.613 93 HD12 LEU 11 2HD1 LEU 11 8.014 -5.989 -2.681 94 HD13 LEU 11 3HD1 LEU 11 7.034 -5.766 -1.233 95 HD21 LEU 11 3HD2 LEU 11 6.534 -2.719 -1.519 96 HD22 LEU 11 1HD2 LEU 11 5.367 -3.981 -1.113 97 HD23 LEU 11 2HD2 LEU 11 5.075 -2.923 -2.492 98 H GLU 12 H GLU 12 6.784 -3.479 -7.239 99 HA GLU 12 HA GLU 12 8.956 -1.656 -7.647 100 HB2 GLU 12 1HB GLU 12 7.664 -3.623 -9.516 101 HB3 GLU 12 2HB GLU 12 8.981 -2.562 -10.005 102 HG2 GLU 12 1HG GLU 12 10.304 -3.534 -8.102 103 HG3 GLU 12 2HG GLU 12 9.023 -4.731 -7.930 104 H ARG 13 H ARG 13 5.625 -1.847 -8.522 105 HA ARG 13 HA ARG 13 5.476 0.434 -10.192 106 HB2 ARG 13 1HB ARG 13 3.593 -1.170 -9.790 107 HB3 ARG 13 2HB ARG 13 3.450 -0.527 -8.159 108 HG2 ARG 13 1HG ARG 13 1.750 0.503 -9.415 109 HG3 ARG 13 2HG ARG 13 3.011 1.721 -9.215 110 HD2 ARG 13 1HD ARG 13 2.237 1.793 -11.478 111 HD3 ARG 13 2HD ARG 13 3.859 1.098 -11.478 112 HE ARG 13 HE ARG 13 2.128 -1.028 -11.301 113 HH11 ARG 13 1HH1 ARG 13 2.842 1.502 -13.674 114 HH12 ARG 13 2HH1 ARG 13 2.213 0.626 -14.990 115 HH21 ARG 13 1HH2 ARG 13 1.239 -2.201 -13.113 116 HH22 ARG 13 2HH2 ARG 13 1.273 -1.480 -14.662 117 H LEU 14 H LEU 14 5.362 -0.068 -6.740 118 HA LEU 14 HA LEU 14 4.846 2.552 -5.869 119 HB2 LEU 14 1HB LEU 14 4.554 0.554 -4.501 120 HB3 LEU 14 2HB LEU 14 6.281 0.284 -4.519 121 HG LEU 14 HG LEU 14 6.570 2.426 -3.285 122 HD11 LEU 14 1HD1 LEU 14 4.525 3.544 -3.909 123 HD12 LEU 14 2HD1 LEU 14 4.608 3.374 -2.154 124 HD13 LEU 14 3HD1 LEU 14 3.570 2.305 -3.093 125 HD21 LEU 14 3HD2 LEU 14 6.592 0.267 -2.161 126 HD22 LEU 14 1HD2 LEU 14 4.840 0.336 -1.976 127 HD23 LEU 14 2HD2 LEU 14 5.865 1.509 -1.141 128 H ALA 15 H ALA 15 7.802 0.905 -6.761 129 HA ALA 15 HA ALA 15 9.596 2.821 -5.695 130 HB1 ALA 15 3HB ALA 15 11.285 1.727 -7.061 131 HB2 ALA 15 1HB ALA 15 10.028 0.876 -7.961 132 HB3 ALA 15 2HB ALA 15 10.274 0.529 -6.250 133 H THR 16 H THR 16 7.680 2.711 -8.552 134 HA THR 16 HA THR 16 9.148 4.820 -9.871 135 HB THR 16 HB THR 16 6.528 3.486 -10.643 136 HG1 THR 16 HG1 THR 16 8.657 2.655 -12.037 137 HG21 THR 16 3HG2 THR 16 8.625 4.910 -12.316 138 HG22 THR 16 1HG2 THR 16 7.047 5.568 -11.888 139 HG23 THR 16 2HG2 THR 16 7.159 4.153 -12.935 140 H VAL 17 H VAL 17 6.931 4.644 -7.410 141 HA VAL 17 HA VAL 17 5.463 7.056 -8.084 142 HB VAL 17 HB VAL 17 5.351 5.276 -5.603 143 HG11 VAL 17 1HG1 VAL 17 3.284 6.441 -5.009 144 HG12 VAL 17 2HG1 VAL 17 3.458 7.490 -6.410 145 HG13 VAL 17 3HG1 VAL 17 4.627 7.583 -5.096 146 HG21 VAL 17 3HG2 VAL 17 4.554 4.142 -7.595 147 HG22 VAL 17 1HG2 VAL 17 3.453 5.475 -7.936 148 HG23 VAL 17 2HG2 VAL 17 3.216 4.479 -6.497 149 HA PRO 18 HA PRO 18 8.551 9.697 -6.276 150 HB2 PRO 18 1HB PRO 18 6.836 11.695 -5.341 151 HB3 PRO 18 2HB PRO 18 7.499 11.587 -6.968 152 HG2 PRO 18 1HG PRO 18 4.837 10.685 -5.957 153 HG3 PRO 18 2HG PRO 18 5.242 11.501 -7.480 154 HD2 PRO 18 1HD PRO 18 4.758 8.899 -7.431 155 HD3 PRO 18 2HD PRO 18 6.061 9.553 -8.447 156 H ALA 19 H ALA 19 9.500 10.093 -4.376 157 HA ALA 19 HA ALA 19 9.039 8.354 -2.254 158 HB1 ALA 19 3HB ALA 19 10.883 9.438 -1.151 159 HB2 ALA 19 1HB ALA 19 10.754 10.819 -2.238 160 HB3 ALA 19 2HB ALA 19 11.233 9.241 -2.863 161 H GLU 20 H GLU 20 7.772 11.495 -2.753 162 HA GLU 20 HA GLU 20 7.290 12.516 -0.243 163 HB2 GLU 20 1HB GLU 20 5.248 13.559 -1.205 164 HB3 GLU 20 2HB GLU 20 6.671 13.749 -2.225 165 HG2 GLU 20 1HG GLU 20 5.914 12.080 -3.730 166 HG3 GLU 20 2HG GLU 20 4.629 11.590 -2.642 167 H LYS 21 H LYS 21 5.454 10.021 -1.909 168 HA LYS 21 HA LYS 21 4.074 9.495 0.628 169 HB2 LYS 21 1HB LYS 21 2.924 9.255 -2.148 170 HB3 LYS 21 2HB LYS 21 2.130 8.657 -0.704 171 HG2 LYS 21 1HG LYS 21 2.153 11.018 0.181 172 HG3 LYS 21 2HG LYS 21 2.731 11.530 -1.405 173 HD2 LYS 21 1HD LYS 21 0.181 9.980 -0.968 174 HD3 LYS 21 2HD LYS 21 0.246 11.729 -1.058 175 HE2 LYS 21 1HE LYS 21 1.334 10.015 -3.272 176 HE3 LYS 21 2HE LYS 21 -0.371 10.417 -3.173 177 HZ1 LYS 21 3HZ LYS 21 1.849 12.434 -3.367 178 HZ2 LYS 21 1HZ LYS 21 0.193 12.738 -3.278 179 HZ3 LYS 21 2HZ LYS 21 0.809 11.950 -4.603 180 H ALA 22 H ALA 22 5.831 8.208 -2.062 181 HA ALA 22 HA ALA 22 5.125 5.502 -1.546 182 HB1 ALA 22 3HB ALA 22 7.430 6.617 -3.118 183 HB2 ALA 22 1HB ALA 22 5.827 6.252 -3.753 184 HB3 ALA 22 2HB ALA 22 6.854 4.949 -3.148 185 H GLY 23 H GLY 23 7.722 7.647 -0.598 186 HA2 GLY 23 1HA GLY 23 9.727 5.967 0.207 187 HA3 GLY 23 2HA GLY 23 9.366 7.493 0.989 188 HA PRO 24 HA PRO 24 7.897 5.642 4.787 189 HB2 PRO 24 1HB PRO 24 5.063 6.136 3.977 190 HB3 PRO 24 2HB PRO 24 5.854 6.506 5.517 191 HG2 PRO 24 1HG PRO 24 5.381 8.438 3.795 192 HG3 PRO 24 2HG PRO 24 6.947 8.374 4.618 193 HD2 PRO 24 1HD PRO 24 6.259 7.620 1.812 194 HD3 PRO 24 2HD PRO 24 7.720 8.404 2.449 195 H LEU 25 H LEU 25 5.883 4.711 2.005 196 HA LEU 25 HA LEU 25 5.075 2.237 3.209 197 HB2 LEU 25 1HB LEU 25 3.592 3.377 1.640 198 HB3 LEU 25 2HB LEU 25 4.768 3.207 0.362 199 HG LEU 25 HG LEU 25 4.435 0.793 0.294 200 HD11 LEU 25 1HD1 LEU 25 4.037 0.359 2.652 201 HD12 LEU 25 2HD1 LEU 25 2.732 -0.304 1.665 202 HD13 LEU 25 3HD1 LEU 25 2.491 1.198 2.558 203 HD21 LEU 25 3HD2 LEU 25 2.929 2.195 -1.011 204 HD22 LEU 25 1HD2 LEU 25 1.815 2.278 0.352 205 HD23 LEU 25 2HD2 LEU 25 2.117 0.735 -0.450 206 H GLN 26 H GLN 26 7.432 3.210 0.807 207 HA GLN 26 HA GLN 26 8.368 0.672 0.038 208 HB2 GLN 26 1HB GLN 26 9.890 3.278 0.289 209 HB3 GLN 26 2HB GLN 26 10.481 1.854 -0.551 210 HG2 GLN 26 1HG GLN 26 8.796 2.049 -2.221 211 HG3 GLN 26 2HG GLN 26 7.950 3.293 -1.303 212 HE21 GLN 26 2HE2 GLN 26 8.906 3.467 -4.001 213 HE22 GLN 26 1HE2 GLN 26 10.055 4.757 -4.026 214 H ARG 27 H ARG 27 9.032 2.691 2.792 215 HA ARG 27 HA ARG 27 11.142 1.048 3.813 216 HB2 ARG 27 1HB ARG 27 9.453 3.117 5.157 217 HB3 ARG 27 2HB ARG 27 10.842 2.364 5.907 218 HG2 ARG 27 1HG ARG 27 10.831 4.185 3.480 219 HG3 ARG 27 2HG ARG 27 11.445 4.575 5.079 220 HD2 ARG 27 1HD ARG 27 13.320 4.119 3.650 221 HD3 ARG 27 2HD ARG 27 13.167 2.775 4.776 222 HE ARG 27 HE ARG 27 11.757 2.207 2.410 223 HH11 ARG 27 1HH1 ARG 27 15.102 2.512 3.469 224 HH12 ARG 27 2HH1 ARG 27 15.703 1.335 2.400 225 HH21 ARG 27 1HH2 ARG 27 12.585 0.530 0.946 226 HH22 ARG 27 2HH2 ARG 27 14.245 0.184 0.964 227 H TYR 28 H TYR 28 7.762 1.488 4.630 228 HA TYR 28 HA TYR 28 7.430 -0.358 6.666 229 HB2 TYR 28 1HB TYR 28 5.678 1.200 5.888 230 HB3 TYR 28 2HB TYR 28 5.529 0.288 4.399 231 HD1 TYR 28 HD2 TYR 28 4.773 0.325 7.996 232 HD2 TYR 28 HD1 TYR 28 4.258 -1.795 4.339 233 HE1 TYR 28 HE2 TYR 28 2.995 -1.003 9.025 234 HE2 TYR 28 HE1 TYR 28 2.447 -3.122 5.380 235 HH TYR 28 HH TYR 28 1.683 -3.741 7.430 236 H ALA 29 H ALA 29 6.993 -0.907 3.194 237 HA ALA 29 HA ALA 29 6.473 -3.642 3.277 238 HB1 ALA 29 3HB ALA 29 7.750 -2.053 1.059 239 HB2 ALA 29 1HB ALA 29 6.018 -2.220 1.343 240 HB3 ALA 29 2HB ALA 29 6.976 -3.631 0.898 241 H ALA 30 H ALA 30 9.551 -1.917 2.853 242 HA ALA 30 HA ALA 30 11.113 -4.204 2.359 243 HB1 ALA 30 3HB ALA 30 11.993 -1.576 3.548 244 HB2 ALA 30 1HB ALA 30 11.866 -1.932 1.825 245 HB3 ALA 30 2HB ALA 30 13.040 -2.796 2.818 246 H THR 31 H THR 31 10.163 -2.603 5.314 247 HA THR 31 HA THR 31 11.957 -4.064 6.973 248 HB THR 31 HB THR 31 9.438 -2.587 7.777 249 HG1 THR 31 HG1 THR 31 10.750 -1.185 6.669 250 HG21 THR 31 3HG2 THR 31 10.407 -4.031 9.544 251 HG22 THR 31 1HG2 THR 31 10.612 -2.322 9.933 252 HG23 THR 31 2HG2 THR 31 11.971 -3.250 9.305 253 H ILE 32 H ILE 32 8.526 -4.417 6.118 254 HA ILE 32 HA ILE 32 8.040 -6.625 7.805 255 HB ILE 32 HB ILE 32 6.658 -5.869 5.206 256 HG12 ILE 32 1HG1 ILE 32 6.458 -4.091 6.860 257 HG13 ILE 32 2HG1 ILE 32 4.906 -4.892 6.665 258 HG21 ILE 32 1HG2 ILE 32 4.766 -7.247 5.974 259 HG22 ILE 32 2HG2 ILE 32 5.723 -7.772 7.360 260 HG23 ILE 32 3HG2 ILE 32 6.229 -8.204 5.728 261 HD11 ILE 32 3HD1 ILE 32 5.321 -4.398 8.994 262 HD12 ILE 32 1HD1 ILE 32 6.846 -5.284 8.941 263 HD13 ILE 32 2HD1 ILE 32 5.324 -6.143 8.743 264 H GLN 33 H GLN 33 8.958 -6.416 4.387 265 HA GLN 33 HA GLN 33 8.995 -9.173 3.975 266 HB2 GLN 33 1HB GLN 33 10.258 -6.919 2.486 267 HB3 GLN 33 2HB GLN 33 10.517 -8.580 1.986 268 HG2 GLN 33 1HG GLN 33 7.913 -7.100 2.155 269 HG3 GLN 33 2HG GLN 33 8.726 -7.699 0.706 270 HE21 GLN 33 2HE2 GLN 33 8.840 -9.995 0.394 271 HE22 GLN 33 1HE2 GLN 33 7.640 -11.006 1.093 272 H SER 34 H SER 34 11.673 -7.028 4.894 273 HA SER 34 HA SER 34 13.573 -9.080 4.707 274 HB2 SER 34 1HB SER 34 15.010 -7.554 6.125 275 HB3 SER 34 2HB SER 34 14.372 -6.840 4.643 276 HG SER 34 HG SER 34 13.025 -5.648 5.748 277 H GLN 35 H GLN 35 11.449 -8.127 7.343 278 HA GLN 35 HA GLN 35 12.856 -9.865 9.137 279 HB2 GLN 35 1HB GLN 35 11.295 -9.249 10.847 280 HB3 GLN 35 2HB GLN 35 11.749 -7.811 9.953 281 HG2 GLN 35 1HG GLN 35 9.611 -7.954 8.719 282 HG3 GLN 35 2HG GLN 35 9.165 -9.334 9.720 283 HE21 GLN 35 2HE2 GLN 35 10.924 -6.518 10.874 284 HE22 GLN 35 1HE2 GLN 35 9.669 -5.933 11.898 285 H ARG 36 H ARG 36 10.239 -10.258 6.910 286 HA ARG 36 HA ARG 36 9.352 -12.724 8.165 287 HB2 ARG 36 1HB ARG 36 8.678 -11.534 5.466 288 HB3 ARG 36 2HB ARG 36 7.962 -13.001 6.093 289 HG2 ARG 36 1HG ARG 36 7.658 -10.217 7.214 290 HG3 ARG 36 2HG ARG 36 6.445 -11.137 6.327 291 HD2 ARG 36 1HD ARG 36 6.486 -12.828 8.155 292 HD3 ARG 36 2HD ARG 36 7.587 -11.779 9.044 293 HE ARG 36 HE ARG 36 5.025 -10.702 8.187 294 HH11 ARG 36 1HH1 ARG 36 7.046 -11.882 10.886 295 HH12 ARG 36 2HH1 ARG 36 6.012 -11.233 12.071 296 HH21 ARG 36 1HH2 ARG 36 3.632 -9.823 9.894 297 HH22 ARG 36 2HH2 ARG 36 4.081 -10.067 11.517 298 H GLY 37 H GLY 37 11.557 -11.712 5.691 299 HA2 GLY 37 1HA GLY 37 13.424 -13.365 5.378 300 HA3 GLY 37 2HA GLY 37 12.142 -14.531 5.047 301 H ASP 38 H ASP 38 10.435 -13.263 3.578 302 HA ASP 38 HA ASP 38 9.809 -12.255 1.698 303 HB2 ASP 38 1HB ASP 38 11.223 -10.366 1.954 304 HB3 ASP 38 2HB ASP 38 12.636 -11.271 1.439 305 H TYR 39 H TYR 39 9.124 -13.263 0.134 306 HA TYR 39 HA TYR 39 10.923 -14.392 -1.797 307 HB2 TYR 39 1HB TYR 39 10.197 -16.258 -0.205 308 HB3 TYR 39 2HB TYR 39 8.542 -15.969 -0.738 309 HD1 TYR 39 HD2 TYR 39 11.900 -16.577 -2.216 310 HD2 TYR 39 HD1 TYR 39 7.736 -17.375 -2.421 311 HE1 TYR 39 HE2 TYR 39 12.291 -18.096 -4.114 312 HE2 TYR 39 HE1 TYR 39 8.117 -18.897 -4.320 313 HH TYR 39 HH TYR 39 9.800 -19.229 -6.078 314 H ASN 40 H ASN 40 9.252 -12.061 -1.364 315 HA ASN 40 HA ASN 40 7.044 -12.491 -3.235 316 HB2 ASN 40 1HB ASN 40 7.462 -10.381 -1.124 317 HB3 ASN 40 2HB ASN 40 6.189 -10.309 -2.334 318 HD21 ASN 40 2HD2 ASN 40 4.439 -11.624 -2.140 319 HD22 ASN 40 1HD2 ASN 40 4.107 -12.598 -0.755 320 H GLY 41 H GLY 41 9.516 -10.140 -2.301 321 HA2 GLY 41 1HA GLY 41 10.824 -8.717 -3.501 322 HA3 GLY 41 2HA GLY 41 10.562 -9.787 -4.858 323 H LYS 42 H LYS 42 8.426 -9.457 -5.917 324 HA LYS 42 HA LYS 42 8.340 -6.688 -6.801 325 HB2 LYS 42 1HB LYS 42 8.366 -8.548 -8.422 326 HB3 LYS 42 2HB LYS 42 6.815 -9.090 -7.797 327 HG2 LYS 42 1HG LYS 42 5.868 -6.866 -8.512 328 HG3 LYS 42 2HG LYS 42 7.414 -6.539 -9.285 329 HD2 LYS 42 1HD LYS 42 5.883 -7.373 -10.951 330 HD3 LYS 42 2HD LYS 42 7.114 -8.601 -10.654 331 HE2 LYS 42 1HE LYS 42 5.558 -9.818 -9.198 332 HE3 LYS 42 2HE LYS 42 4.344 -8.563 -9.453 333 HZ1 LYS 42 3HZ LYS 42 5.450 -10.366 -11.533 334 HZ2 LYS 42 1HZ LYS 42 4.280 -9.184 -11.804 335 HZ3 LYS 42 2HZ LYS 42 3.939 -10.485 -10.816 336 H VAL 43 H VAL 43 6.176 -8.961 -5.155 337 HA VAL 43 HA VAL 43 4.286 -6.748 -4.833 338 HB VAL 43 HB VAL 43 2.374 -8.367 -5.097 339 HG11 VAL 43 1HG1 VAL 43 2.880 -6.798 -6.857 340 HG12 VAL 43 2HG1 VAL 43 2.447 -8.351 -7.577 341 HG13 VAL 43 3HG1 VAL 43 4.138 -7.860 -7.478 342 HG21 VAL 43 3HG2 VAL 43 2.772 -10.426 -6.392 343 HG22 VAL 43 1HG2 VAL 43 3.599 -10.467 -4.833 344 HG23 VAL 43 2HG2 VAL 43 4.510 -10.137 -6.306 345 H LEU 44 H LEU 44 3.492 -6.468 -2.906 346 HA LEU 44 HA LEU 44 4.027 -8.505 -0.847 347 HB2 LEU 44 1HB LEU 44 5.142 -6.403 -0.389 348 HB3 LEU 44 2HB LEU 44 3.657 -5.513 -0.650 349 HG LEU 44 HG LEU 44 2.696 -6.547 1.383 350 HD11 LEU 44 1HD1 LEU 44 5.427 -7.747 1.734 351 HD12 LEU 44 2HD1 LEU 44 3.925 -8.621 1.424 352 HD13 LEU 44 3HD1 LEU 44 4.141 -7.746 2.939 353 HD21 LEU 44 3HD2 LEU 44 5.341 -5.171 1.811 354 HD22 LEU 44 1HD2 LEU 44 4.049 -5.318 3.003 355 HD23 LEU 44 2HD2 LEU 44 3.788 -4.380 1.534 356 H SER 45 H SER 45 2.275 -9.378 0.202 357 HA SER 45 HA SER 45 -0.293 -8.235 -0.551 358 HB2 SER 45 1HB SER 45 0.171 -10.541 -1.393 359 HB3 SER 45 2HB SER 45 0.328 -11.081 0.279 360 HG SER 45 HG SER 45 -1.950 -9.674 -0.216 361 H ILE 46 H ILE 46 -1.379 -7.295 1.018 362 HA ILE 46 HA ILE 46 -0.849 -8.151 3.773 363 HB ILE 46 HB ILE 46 -1.323 -5.900 4.584 364 HG12 ILE 46 1HG1 ILE 46 -1.563 -5.054 1.684 365 HG13 ILE 46 2HG1 ILE 46 -2.915 -5.231 2.796 366 HG21 ILE 46 1HG2 ILE 46 0.749 -5.840 2.398 367 HG22 ILE 46 2HG2 ILE 46 0.996 -6.398 4.051 368 HG23 ILE 46 3HG2 ILE 46 0.641 -4.700 3.739 369 HD11 ILE 46 3HD1 ILE 46 -2.008 -3.452 4.192 370 HD12 ILE 46 1HD1 ILE 46 -2.276 -2.898 2.539 371 HD13 ILE 46 2HD1 ILE 46 -0.643 -3.275 3.090 372 H ARG 47 H ARG 47 -2.797 -7.158 5.141 373 HA ARG 47 HA ARG 47 -5.163 -8.491 4.044 374 HB2 ARG 47 1HB ARG 47 -4.642 -7.465 6.821 375 HB3 ARG 47 2HB ARG 47 -6.012 -8.430 6.304 376 HG2 ARG 47 1HG ARG 47 -4.515 -10.264 5.739 377 HG3 ARG 47 2HG ARG 47 -3.143 -9.304 6.295 378 HD2 ARG 47 1HD ARG 47 -4.151 -9.161 8.495 379 HD3 ARG 47 2HD ARG 47 -5.512 -10.128 7.901 380 HE ARG 47 HE ARG 47 -2.911 -11.308 7.580 381 HH11 ARG 47 1HH1 ARG 47 -5.658 -11.033 9.780 382 HH12 ARG 47 2HH1 ARG 47 -5.438 -12.595 10.447 383 HH21 ARG 47 1HH2 ARG 47 -2.602 -13.366 8.506 384 HH22 ARG 47 2HH2 ARG 47 -3.670 -13.952 9.725 385 H GLN 48 H GLN 48 -7.295 -7.431 4.604 386 HA GLN 48 HA GLN 48 -7.417 -4.819 3.457 387 HB2 GLN 48 1HB GLN 48 -9.535 -6.381 4.956 388 HB3 GLN 48 2HB GLN 48 -9.807 -4.995 3.922 389 HG2 GLN 48 1HG GLN 48 -9.263 -6.200 1.974 390 HG3 GLN 48 2HG GLN 48 -8.586 -7.539 2.905 391 HE21 GLN 48 2HE2 GLN 48 -9.965 -9.008 1.892 392 HE22 GLN 48 1HE2 GLN 48 -11.641 -9.092 2.336 393 H ASP 49 H ASP 49 -7.777 -6.207 6.613 394 HA ASP 49 HA ASP 49 -8.303 -3.754 8.041 395 HB2 ASP 49 1HB ASP 49 -7.408 -6.493 9.009 396 HB3 ASP 49 2HB ASP 49 -7.915 -5.175 10.054 397 H ASP 50 H ASP 50 -5.521 -5.516 7.120 398 HA ASP 50 HA ASP 50 -3.659 -4.245 8.932 399 HB2 ASP 50 1HB ASP 50 -3.297 -6.509 7.923 400 HB3 ASP 50 2HB ASP 50 -3.098 -5.735 6.351 401 H LEU 51 H LEU 51 -5.023 -3.484 5.891 402 HA LEU 51 HA LEU 51 -3.190 -1.580 4.927 403 HB2 LEU 51 1HB LEU 51 -5.031 -2.539 3.603 404 HB3 LEU 51 2HB LEU 51 -6.192 -1.687 4.599 405 HG LEU 51 HG LEU 51 -5.111 0.458 3.794 406 HD11 LEU 51 1HD1 LEU 51 -3.030 -0.460 3.002 407 HD12 LEU 51 2HD1 LEU 51 -3.876 0.379 1.702 408 HD13 LEU 51 3HD1 LEU 51 -3.878 -1.385 1.763 409 HD21 LEU 51 3HD2 LEU 51 -6.337 0.458 1.669 410 HD22 LEU 51 1HD2 LEU 51 -7.272 -0.297 2.958 411 HD23 LEU 51 2HD2 LEU 51 -6.472 -1.298 1.749 412 H ARG 52 H ARG 52 -5.644 -1.453 7.418 413 HA ARG 52 HA ARG 52 -5.992 1.311 7.419 414 HB2 ARG 52 1HB ARG 52 -6.488 -0.657 9.633 415 HB3 ARG 52 2HB ARG 52 -6.960 1.033 9.711 416 HG2 ARG 52 1HG ARG 52 -8.351 0.680 7.688 417 HG3 ARG 52 2HG ARG 52 -7.941 -1.037 7.766 418 HD2 ARG 52 1HD ARG 52 -9.434 0.584 9.820 419 HD3 ARG 52 2HD ARG 52 -10.077 -0.715 8.816 420 HE ARG 52 HE ARG 52 -8.097 -1.019 10.945 421 HH11 ARG 52 1HH1 ARG 52 -10.800 -2.374 9.043 422 HH12 ARG 52 2HH1 ARG 52 -10.755 -3.881 9.833 423 HH21 ARG 52 1HH2 ARG 52 -8.117 -3.073 12.055 424 HH22 ARG 52 2HH2 ARG 52 -9.225 -4.278 11.604 425 H THR 53 H THR 53 -3.518 -0.684 8.676 426 HA THR 53 HA THR 53 -2.432 0.886 10.720 427 HB THR 53 HB THR 53 -0.925 -0.869 8.756 428 HG1 THR 53 HG1 THR 53 -2.060 -2.389 9.408 429 HG21 THR 53 3HG2 THR 53 -0.468 -0.256 11.690 430 HG22 THR 53 1HG2 THR 53 0.457 0.424 10.354 431 HG23 THR 53 2HG2 THR 53 0.534 -1.302 10.683 432 H LEU 54 H LEU 54 -1.991 0.802 7.218 433 HA LEU 54 HA LEU 54 0.155 2.639 7.080 434 HB2 LEU 54 1HB LEU 54 -1.823 1.740 4.993 435 HB3 LEU 54 2HB LEU 54 -0.400 2.708 4.661 436 HG LEU 54 HG LEU 54 -0.326 -0.084 5.819 437 HD11 LEU 54 1HD1 LEU 54 0.492 -0.749 3.615 438 HD12 LEU 54 2HD1 LEU 54 0.229 0.890 3.018 439 HD13 LEU 54 3HD1 LEU 54 -1.142 -0.099 3.517 440 HD21 LEU 54 3HD2 LEU 54 1.827 1.773 4.837 441 HD22 LEU 54 1HD2 LEU 54 2.053 0.070 5.246 442 HD23 LEU 54 2HD2 LEU 54 1.556 1.204 6.488 443 H ALA 55 H ALA 55 -3.303 2.957 7.026 444 HA ALA 55 HA ALA 55 -3.470 5.624 6.133 445 HB1 ALA 55 3HB ALA 55 -5.329 4.156 8.009 446 HB2 ALA 55 1HB ALA 55 -5.423 4.128 6.248 447 HB3 ALA 55 2HB ALA 55 -5.709 5.632 7.124 448 H VAL 56 H VAL 56 -2.791 4.224 9.250 449 HA VAL 56 HA VAL 56 -3.066 6.635 10.768 450 HB VAL 56 HB VAL 56 -1.550 4.080 11.427 451 HG11 VAL 56 1HG1 VAL 56 -1.709 4.777 13.764 452 HG12 VAL 56 2HG1 VAL 56 -2.503 6.268 13.274 453 HG13 VAL 56 3HG1 VAL 56 -0.827 5.972 12.807 454 HG21 VAL 56 3HG2 VAL 56 -4.349 4.911 12.182 455 HG22 VAL 56 1HG2 VAL 56 -3.522 3.462 12.750 456 HG23 VAL 56 2HG2 VAL 56 -3.910 3.640 11.039 457 H ILE 57 H ILE 57 -0.451 4.850 9.274 458 HA ILE 57 HA ILE 57 1.722 6.314 10.270 459 HB ILE 57 HB ILE 57 1.571 4.866 7.612 460 HG12 ILE 57 1HG1 ILE 57 2.356 3.884 10.373 461 HG13 ILE 57 2HG1 ILE 57 0.952 3.413 9.420 462 HG21 ILE 57 1HG2 ILE 57 3.498 6.359 7.733 463 HG22 ILE 57 2HG2 ILE 57 4.022 4.675 7.840 464 HG23 ILE 57 3HG2 ILE 57 3.950 5.670 9.293 465 HD11 ILE 57 3HD1 ILE 57 2.629 1.681 9.327 466 HD12 ILE 57 1HD1 ILE 57 3.826 2.843 8.749 467 HD13 ILE 57 2HD1 ILE 57 2.450 2.433 7.740 468 H TYR 58 H TYR 58 -0.123 6.735 7.278 469 HA TYR 58 HA TYR 58 1.547 9.031 6.591 470 HB2 TYR 58 1HB TYR 58 -0.875 8.141 5.051 471 HB3 TYR 58 2HB TYR 58 0.518 9.037 4.459 472 HD1 TYR 58 HD2 TYR 58 2.718 7.301 5.576 473 HD2 TYR 58 HD1 TYR 58 -0.936 6.328 3.667 474 HE1 TYR 58 HE2 TYR 58 3.646 5.129 4.901 475 HE2 TYR 58 HE1 TYR 58 -0.009 4.164 2.991 476 HH TYR 58 HH TYR 58 2.097 3.158 2.630 477 H ASP 59 H ASP 59 -1.209 8.411 8.339 478 HA ASP 59 HA ASP 59 -2.787 9.603 9.296 479 HB2 ASP 59 1HB ASP 59 -0.984 11.052 10.088 480 HB3 ASP 59 2HB ASP 59 -0.978 11.925 8.571 481 H GLN 60 H GLN 60 -3.706 8.676 7.321 482 HA GLN 60 HA GLN 60 -5.120 10.735 5.752 483 HB2 GLN 60 1HB GLN 60 -4.133 8.054 4.753 484 HB3 GLN 60 2HB GLN 60 -5.111 9.182 3.834 485 HG2 GLN 60 1HG GLN 60 -2.319 9.701 4.827 486 HG3 GLN 60 2HG GLN 60 -2.735 9.195 3.193 487 HE21 GLN 60 2HE2 GLN 60 -5.115 10.947 3.055 488 HE22 GLN 60 1HE2 GLN 60 -4.474 12.538 2.916 489 H SER 61 H SER 61 -7.272 10.102 5.212 490 HA SER 61 HA SER 61 -8.557 8.392 7.088 491 HB2 SER 61 1HB SER 61 -9.632 9.546 4.511 492 HB3 SER 61 2HB SER 61 -10.552 9.066 5.939 493 HG SER 61 HG SER 61 -8.948 10.744 6.927 494 HA PRO 62 HA PRO 62 -7.910 4.421 5.077 495 HB2 PRO 62 1HB PRO 62 -10.826 4.098 5.686 496 HB3 PRO 62 2HB PRO 62 -9.500 2.961 5.957 497 HG2 PRO 62 1HG PRO 62 -10.434 4.347 7.992 498 HG3 PRO 62 2HG PRO 62 -8.684 4.145 7.795 499 HD2 PRO 62 1HD PRO 62 -10.379 6.545 7.263 500 HD3 PRO 62 2HD PRO 62 -8.717 6.446 7.885 501 H SER 63 H SER 63 -10.982 6.049 4.282 502 HA SER 63 HA SER 63 -11.594 4.843 1.883 503 HB2 SER 63 1HB SER 63 -12.037 7.740 2.581 504 HB3 SER 63 2HB SER 63 -13.058 6.701 1.588 505 HG SER 63 HG SER 63 -14.057 6.562 3.432 506 H VAL 64 H VAL 64 -9.804 7.896 2.418 507 HA VAL 64 HA VAL 64 -9.209 8.357 -0.318 508 HB VAL 64 HB VAL 64 -7.808 9.482 2.134 509 HG11 VAL 64 1HG1 VAL 64 -7.171 11.356 0.677 510 HG12 VAL 64 2HG1 VAL 64 -7.918 10.536 -0.694 511 HG13 VAL 64 3HG1 VAL 64 -6.514 9.822 0.099 512 HG21 VAL 64 3HG2 VAL 64 -10.204 9.938 2.219 513 HG22 VAL 64 1HG2 VAL 64 -10.145 10.606 0.588 514 HG23 VAL 64 2HG2 VAL 64 -9.302 11.420 1.902 515 H LEU 65 H LEU 65 -7.530 6.871 2.360 516 HA LEU 65 HA LEU 65 -5.019 6.522 1.207 517 HB2 LEU 65 1HB LEU 65 -5.578 6.282 3.628 518 HB3 LEU 65 2HB LEU 65 -6.417 4.798 3.271 519 HG LEU 65 HG LEU 65 -4.135 4.580 4.351 520 HD11 LEU 65 1HD1 LEU 65 -5.160 2.675 3.282 521 HD12 LEU 65 2HD1 LEU 65 -3.414 2.679 3.018 522 HD13 LEU 65 3HD1 LEU 65 -4.503 3.172 1.723 523 HD21 LEU 65 3HD2 LEU 65 -2.183 4.767 2.923 524 HD22 LEU 65 1HD2 LEU 65 -3.004 6.320 3.099 525 HD23 LEU 65 2HD2 LEU 65 -3.187 5.386 1.612 526 H THR 66 H THR 66 -7.874 4.408 1.160 527 HA THR 66 HA THR 66 -6.682 2.274 -0.231 528 HB THR 66 HB THR 66 -9.607 3.125 -0.333 529 HG1 THR 66 HG1 THR 66 -8.796 2.813 1.836 530 HG21 THR 66 3HG2 THR 66 -10.024 0.724 -0.723 531 HG22 THR 66 1HG2 THR 66 -8.286 0.429 -0.734 532 HG23 THR 66 2HG2 THR 66 -9.022 1.416 -1.999 533 H GLU 67 H GLU 67 -8.392 5.163 -1.342 534 HA GLU 67 HA GLU 67 -8.354 4.558 -4.082 535 HB2 GLU 67 1HB GLU 67 -8.758 7.087 -2.541 536 HB3 GLU 67 2HB GLU 67 -8.629 7.121 -4.292 537 HG2 GLU 67 1HG GLU 67 -10.612 5.447 -2.779 538 HG3 GLU 67 2HG GLU 67 -10.952 7.043 -3.445 539 H GLN 68 H GLN 68 -5.975 6.078 -2.011 540 HA GLN 68 HA GLN 68 -4.338 7.249 -3.919 541 HB2 GLN 68 1HB GLN 68 -3.728 5.970 -1.287 542 HB3 GLN 68 2HB GLN 68 -2.495 6.794 -2.228 543 HG2 GLN 68 1HG GLN 68 -4.989 7.998 -1.035 544 HG3 GLN 68 2HG GLN 68 -3.351 8.185 -0.424 545 HE21 GLN 68 2HE2 GLN 68 -3.317 10.389 -0.591 546 HE22 GLN 68 1HE2 GLN 68 -3.369 11.229 -2.092 547 H LEU 69 H LEU 69 -4.057 4.011 -2.470 548 HA LEU 69 HA LEU 69 -1.890 3.160 -4.012 549 HB2 LEU 69 1HB LEU 69 -4.042 1.632 -2.568 550 HB3 LEU 69 2HB LEU 69 -2.801 0.810 -3.480 551 HG LEU 69 HG LEU 69 -2.278 0.766 -1.145 552 HD11 LEU 69 1HD1 LEU 69 -0.040 1.709 -1.151 553 HD12 LEU 69 2HD1 LEU 69 -0.436 2.646 -2.586 554 HD13 LEU 69 3HD1 LEU 69 -0.412 0.884 -2.665 555 HD21 LEU 69 3HD2 LEU 69 -2.285 3.782 -1.199 556 HD22 LEU 69 1HD2 LEU 69 -1.777 2.783 0.160 557 HD23 LEU 69 2HD2 LEU 69 -3.458 2.759 -0.373 558 H ILE 70 H ILE 70 -5.307 2.984 -4.606 559 HA ILE 70 HA ILE 70 -5.197 1.432 -6.971 560 HB ILE 70 HB ILE 70 -7.283 3.390 -5.971 561 HG12 ILE 70 1HG1 ILE 70 -7.230 0.366 -5.881 562 HG13 ILE 70 2HG1 ILE 70 -6.821 1.416 -4.531 563 HG21 ILE 70 1HG2 ILE 70 -8.837 2.297 -7.526 564 HG22 ILE 70 2HG2 ILE 70 -7.500 1.360 -8.196 565 HG23 ILE 70 3HG2 ILE 70 -7.525 3.119 -8.371 566 HD11 ILE 70 3HD1 ILE 70 -9.089 0.524 -4.363 567 HD12 ILE 70 1HD1 ILE 70 -9.499 1.284 -5.900 568 HD13 ILE 70 2HD1 ILE 70 -9.089 2.282 -4.505 569 H SER 71 H SER 71 -5.194 4.904 -6.354 570 HA SER 71 HA SER 71 -5.334 5.775 -9.010 571 HB2 SER 71 1HB SER 71 -5.838 7.202 -7.052 572 HB3 SER 71 2HB SER 71 -4.144 7.145 -6.581 573 HG SER 71 HG SER 71 -3.830 8.735 -7.829 574 H TRP 72 H TRP 72 -2.563 5.096 -6.880 575 HA TRP 72 HA TRP 72 -0.608 5.939 -8.789 576 HB2 TRP 72 1HB TRP 72 -0.198 4.061 -6.467 577 HB3 TRP 72 2HB TRP 72 1.047 4.975 -7.311 578 HD1 TRP 72 HD1 TRP 72 -0.742 7.795 -7.151 579 HE1 TRP 72 HE1 TRP 72 -0.794 9.001 -4.896 580 HE3 TRP 72 HE3 TRP 72 0.733 3.925 -4.163 581 HZ2 TRP 72 HZ2 TRP 72 -0.237 8.376 -2.169 582 HZ3 TRP 72 HZ3 TRP 72 0.964 4.312 -1.746 583 HH2 TRP 72 HH2 TRP 72 0.495 6.488 -0.772 584 H GLY 73 H GLY 73 -2.503 3.150 -8.501 585 HA2 GLY 73 1HA GLY 73 -2.628 1.357 -9.963 586 HA3 GLY 73 2HA GLY 73 -1.130 1.900 -10.712 587 H VAL 74 H VAL 74 -1.196 1.623 -7.330 588 HA VAL 74 HA VAL 74 0.726 -0.578 -7.434 589 HB VAL 74 HB VAL 74 -0.227 1.106 -5.072 590 HG11 VAL 74 1HG1 VAL 74 1.715 0.243 -3.876 591 HG12 VAL 74 2HG1 VAL 74 2.131 -0.763 -5.264 592 HG13 VAL 74 3HG1 VAL 74 0.645 -1.072 -4.368 593 HG21 VAL 74 3HG2 VAL 74 2.327 1.300 -6.657 594 HG22 VAL 74 1HG2 VAL 74 1.903 2.279 -5.255 595 HG23 VAL 74 2HG2 VAL 74 0.980 2.424 -6.758 596 H LEU 75 H LEU 75 -2.546 0.103 -6.732 597 HA LEU 75 HA LEU 75 -3.052 -2.690 -6.074 598 HB2 LEU 75 1HB LEU 75 -3.122 -1.334 -3.990 599 HB3 LEU 75 2HB LEU 75 -4.289 -0.267 -4.743 600 HG LEU 75 HG LEU 75 -5.895 -2.162 -4.839 601 HD11 LEU 75 1HD1 LEU 75 -3.816 -3.616 -3.212 602 HD12 LEU 75 2HD1 LEU 75 -4.335 -4.021 -4.850 603 HD13 LEU 75 3HD1 LEU 75 -5.464 -4.165 -3.507 604 HD21 LEU 75 3HD2 LEU 75 -6.420 -2.154 -2.449 605 HD22 LEU 75 1HD2 LEU 75 -5.972 -0.546 -3.014 606 HD23 LEU 75 2HD2 LEU 75 -4.817 -1.511 -2.096 607 H ASP 76 H ASP 76 -5.193 -3.292 -6.741 608 HA ASP 76 HA ASP 76 -6.143 -1.752 -9.027 609 HB2 ASP 76 1HB ASP 76 -6.291 -4.603 -8.212 610 HB3 ASP 76 2HB ASP 76 -7.630 -3.984 -9.156 611 H ALA 77 H ALA 77 -8.338 -1.249 -9.308 612 HA ALA 77 HA ALA 77 -9.717 -0.521 -6.905 613 HB1 ALA 77 3HB ALA 77 -9.782 0.856 -8.946 614 HB2 ALA 77 1HB ALA 77 -11.395 0.403 -8.395 615 HB3 ALA 77 2HB ALA 77 -10.664 -0.436 -9.762 616 H ASP 78 H ASP 78 -9.591 -3.168 -8.803 617 HA ASP 78 HA ASP 78 -12.081 -4.436 -8.445 618 HB2 ASP 78 1HB ASP 78 -10.465 -5.292 -10.026 619 HB3 ASP 78 2HB ASP 78 -9.312 -5.595 -8.736 620 H ALA 79 H ALA 79 -9.511 -3.859 -6.261 621 HA ALA 79 HA ALA 79 -10.085 -5.870 -4.332 622 HB1 ALA 79 3HB ALA 79 -7.879 -4.812 -4.518 623 HB2 ALA 79 1HB ALA 79 -8.546 -4.653 -2.892 624 HB3 ALA 79 2HB ALA 79 -8.579 -3.280 -3.998 625 H ARG 80 H ARG 80 -11.456 -2.805 -5.040 626 HA ARG 80 HA ARG 80 -12.319 -1.843 -2.554 627 HB2 ARG 80 1HB ARG 80 -13.684 -1.571 -5.227 628 HB3 ARG 80 2HB ARG 80 -14.035 -0.599 -3.809 629 HG2 ARG 80 1HG ARG 80 -11.894 0.412 -3.868 630 HG3 ARG 80 2HG ARG 80 -11.325 -0.723 -5.091 631 HD2 ARG 80 1HD ARG 80 -11.804 1.282 -6.239 632 HD3 ARG 80 2HD ARG 80 -13.063 0.145 -6.611 633 HE ARG 80 HE ARG 80 -13.870 1.694 -4.400 634 HH11 ARG 80 1HH1 ARG 80 -13.537 1.895 -7.921 635 HH12 ARG 80 2HH1 ARG 80 -14.760 3.068 -8.101 636 HH21 ARG 80 1HH2 ARG 80 -15.586 3.286 -4.687 637 HH22 ARG 80 2HH2 ARG 80 -15.928 3.858 -6.269 638 H ARG 81 H ARG 81 -13.700 -4.338 -4.571 639 HA ARG 81 HA ARG 81 -16.246 -4.458 -3.358 640 HB2 ARG 81 1HB ARG 81 -16.549 -6.519 -4.510 641 HB3 ARG 81 2HB ARG 81 -15.624 -5.466 -5.564 642 HG2 ARG 81 1HG ARG 81 -13.558 -6.641 -4.840 643 HG3 ARG 81 2HG ARG 81 -14.567 -7.757 -3.922 644 HD2 ARG 81 1HD ARG 81 -14.129 -8.817 -5.973 645 HD3 ARG 81 2HD ARG 81 -15.784 -8.221 -6.087 646 HE ARG 81 HE ARG 81 -13.425 -7.037 -7.358 647 HH11 ARG 81 1HH1 ARG 81 -16.978 -7.269 -7.196 648 HH12 ARG 81 2HH1 ARG 81 -17.204 -6.690 -8.770 649 HH21 ARG 81 1HH2 ARG 81 -13.742 -6.287 -9.455 650 HH22 ARG 81 2HH2 ARG 81 -15.302 -6.064 -10.122 651 H ALA 82 H ALA 82 -13.187 -5.430 -2.216 652 HA ALA 82 HA ALA 82 -14.272 -7.377 -0.349 653 HB1 ALA 82 3HB ALA 82 -12.095 -7.799 -1.431 654 HB2 ALA 82 1HB ALA 82 -11.953 -7.720 0.329 655 HB3 ALA 82 2HB ALA 82 -11.450 -6.353 -0.664 656 H VAL 83 H VAL 83 -13.143 -4.105 -0.505 657 HA VAL 83 HA VAL 83 -12.885 -3.638 2.294 658 HB VAL 83 HB VAL 83 -13.377 -1.614 0.081 659 HG11 VAL 83 1HG1 VAL 83 -12.171 -1.241 2.825 660 HG12 VAL 83 2HG1 VAL 83 -13.757 -0.686 2.300 661 HG13 VAL 83 3HG1 VAL 83 -12.303 0.003 1.581 662 HG21 VAL 83 3HG2 VAL 83 -10.757 -2.638 1.180 663 HG22 VAL 83 1HG2 VAL 83 -10.930 -1.324 0.018 664 HG23 VAL 83 2HG2 VAL 83 -11.408 -2.963 -0.425 665 H ALA 84 H ALA 84 -15.411 -3.145 -0.091 666 HA ALA 84 HA ALA 84 -17.306 -2.051 1.755 667 HB1 ALA 84 3HB ALA 84 -17.453 -1.568 -0.639 668 HB2 ALA 84 1HB ALA 84 -18.909 -2.395 -0.082 669 HB3 ALA 84 2HB ALA 84 -17.680 -3.287 -0.978 670 H SER 85 H SER 85 -18.369 -3.221 3.240 671 HA SER 85 HA SER 85 -18.136 -6.089 3.149 672 HB2 SER 85 1HB SER 85 -17.829 -4.850 5.280 673 HB3 SER 85 2HB SER 85 -19.508 -4.328 5.210 674 HG SER 85 HG SER 85 -18.958 -7.057 5.029 675 H HIS 86 H HIS 86 -20.577 -3.650 2.662 676 HA HIS 86 HA HIS 86 -22.229 -5.493 1.248 677 HB2 HIS 86 1HB HIS 86 -24.307 -4.991 2.554 678 HB3 HIS 86 2HB HIS 86 -23.139 -5.902 3.494 679 HD1 HIS 86 HD1 HIS 86 -25.450 -3.198 3.930 680 HD2 HIS 86 HD2 HIS 86 -21.555 -3.936 5.206 681 HE1 HIS 86 HE1 HIS 86 -25.049 -1.690 5.867 682 H ASP 87 H ASP 87 -23.407 -4.413 -0.306 683 HA ASP 87 HA ASP 87 -22.648 -1.654 -0.620 684 HB2 ASP 87 1HB ASP 87 -23.701 -1.757 -2.835 685 HB3 ASP 87 2HB ASP 87 -22.613 -3.113 -2.614 686 H GLU 88 H GLU 88 -23.937 0.069 -0.625 687 HA GLU 88 HA GLU 88 -25.492 1.442 0.164 688 HB2 GLU 88 1HB GLU 88 -27.444 -0.851 -0.239 689 HB3 GLU 88 2HB GLU 88 -27.886 0.818 0.083 690 HG2 GLU 88 1HG GLU 88 -26.499 -0.236 -2.375 691 HG3 GLU 88 2HG GLU 88 -28.179 0.284 -2.257 692 H LEU 89 H LEU 89 -27.585 -0.827 1.609 693 HA LEU 89 HA LEU 89 -26.215 -0.843 4.136 694 HB2 LEU 89 1HB LEU 89 -28.921 0.469 3.747 695 HB3 LEU 89 2HB LEU 89 -28.314 -0.045 5.302 696 HG LEU 89 HG LEU 89 -27.038 2.082 3.573 697 HD11 LEU 89 1HD1 LEU 89 -29.215 2.780 4.415 698 HD12 LEU 89 2HD1 LEU 89 -27.921 3.647 5.239 699 HD13 LEU 89 3HD1 LEU 89 -28.747 2.316 6.051 700 HD21 LEU 89 3HD2 LEU 89 -25.441 0.925 5.032 701 HD22 LEU 89 1HD2 LEU 89 -26.492 1.218 6.418 702 HD23 LEU 89 2HD2 LEU 89 -25.726 2.571 5.584 Start of MODEL 2 1 H1 MET 1 1H MET 1 -19.167 -18.613 -0.704 2 H2 MET 1 2H MET 1 -19.464 -20.149 -0.109 3 H3 MET 1 3H MET 1 -19.186 -19.897 -1.757 4 HA MET 1 HA MET 1 -17.201 -19.399 0.343 5 HB2 MET 1 1HB MET 1 -17.478 -21.668 -1.626 6 HB3 MET 1 2HB MET 1 -15.958 -21.297 -0.838 7 HG2 MET 1 1HG MET 1 -18.512 -22.047 0.560 8 HG3 MET 1 2HG MET 1 -17.185 -23.149 0.210 9 HE1 MET 1 3HE MET 1 -14.597 -21.336 0.796 10 HE2 MET 1 1HE MET 1 -14.781 -23.001 1.352 11 HE3 MET 1 2HE MET 1 -14.313 -21.743 2.488 12 H GLU 2 H GLU 2 -16.577 -17.428 -0.391 13 HA GLU 2 HA GLU 2 -15.332 -17.464 -3.006 14 HB2 GLU 2 1HB GLU 2 -15.912 -15.067 -3.268 15 HB3 GLU 2 2HB GLU 2 -17.345 -16.067 -3.160 16 HG2 GLU 2 1HG GLU 2 -16.221 -14.411 -0.896 17 HG3 GLU 2 2HG GLU 2 -17.528 -13.903 -1.958 18 HA PRO 3 HA PRO 3 -11.806 -16.432 -0.539 19 HB2 PRO 3 1HB PRO 3 -10.274 -15.273 -2.515 20 HB3 PRO 3 2HB PRO 3 -10.411 -17.017 -2.275 21 HG2 PRO 3 1HG PRO 3 -11.800 -15.260 -4.236 22 HG3 PRO 3 2HG PRO 3 -11.160 -16.900 -4.452 23 HD2 PRO 3 1HD PRO 3 -13.794 -16.379 -4.080 24 HD3 PRO 3 2HD PRO 3 -13.029 -17.880 -3.514 25 HA PRO 4 HA PRO 4 -12.858 -12.186 0.358 26 HB2 PRO 4 1HB PRO 4 -10.851 -11.740 2.178 27 HB3 PRO 4 2HB PRO 4 -12.364 -12.563 2.580 28 HG2 PRO 4 1HG PRO 4 -9.683 -13.714 1.950 29 HG3 PRO 4 2HG PRO 4 -10.862 -14.217 3.172 30 HD2 PRO 4 1HD PRO 4 -10.557 -15.519 0.845 31 HD3 PRO 4 2HD PRO 4 -12.134 -15.383 1.649 32 HA PRO 5 HA PRO 5 -10.162 -9.986 -2.377 33 HB2 PRO 5 1HB PRO 5 -10.445 -7.653 -0.564 34 HB3 PRO 5 2HB PRO 5 -10.811 -7.776 -2.289 35 HG2 PRO 5 1HG PRO 5 -12.772 -7.702 -0.492 36 HG3 PRO 5 2HG PRO 5 -12.879 -8.754 -1.914 37 HD2 PRO 5 1HD PRO 5 -12.227 -9.466 0.918 38 HD3 PRO 5 2HD PRO 5 -13.204 -10.341 -0.282 39 H LYS 6 H LYS 6 -8.088 -10.495 -2.314 40 HA LYS 6 HA LYS 6 -6.510 -9.730 0.013 41 HB2 LYS 6 1HB LYS 6 -6.305 -12.087 -0.608 42 HB3 LYS 6 2HB LYS 6 -5.899 -11.639 -2.257 43 HG2 LYS 6 1HG LYS 6 -3.777 -10.807 -1.612 44 HG3 LYS 6 2HG LYS 6 -4.202 -10.845 0.097 45 HD2 LYS 6 1HD LYS 6 -2.695 -12.702 -0.566 46 HD3 LYS 6 2HD LYS 6 -4.226 -13.261 0.088 47 HE2 LYS 6 1HE LYS 6 -3.565 -14.575 -1.859 48 HE3 LYS 6 2HE LYS 6 -5.051 -13.682 -2.156 49 HZ1 LYS 6 3HZ LYS 6 -2.339 -12.932 -3.143 50 HZ2 LYS 6 1HZ LYS 6 -3.757 -12.064 -3.466 51 HZ3 LYS 6 2HZ LYS 6 -3.573 -13.610 -4.034 52 H LEU 7 H LEU 7 -5.158 -8.155 -0.072 53 HA LEU 7 HA LEU 7 -5.302 -6.552 -2.436 54 HB2 LEU 7 1HB LEU 7 -4.266 -6.018 0.330 55 HB3 LEU 7 2HB LEU 7 -4.201 -4.837 -0.955 56 HG LEU 7 HG LEU 7 -6.034 -4.221 0.348 57 HD11 LEU 7 1HD1 LEU 7 -7.194 -5.838 -1.882 58 HD12 LEU 7 2HD1 LEU 7 -6.557 -4.197 -1.988 59 HD13 LEU 7 3HD1 LEU 7 -7.988 -4.527 -1.013 60 HD21 LEU 7 3HD2 LEU 7 -6.284 -6.171 1.733 61 HD22 LEU 7 1HD2 LEU 7 -6.955 -7.088 0.380 62 HD23 LEU 7 2HD2 LEU 7 -7.846 -5.721 1.050 63 H VAL 8 H VAL 8 -3.921 -6.851 -3.919 64 HA VAL 8 HA VAL 8 -1.203 -7.671 -3.302 65 HB VAL 8 HB VAL 8 -2.504 -7.191 -6.004 66 HG11 VAL 8 1HG1 VAL 8 -0.649 -8.529 -6.893 67 HG12 VAL 8 2HG1 VAL 8 0.031 -8.651 -5.269 68 HG13 VAL 8 3HG1 VAL 8 -0.074 -7.082 -6.065 69 HG21 VAL 8 3HG2 VAL 8 -2.703 -9.647 -6.173 70 HG22 VAL 8 1HG2 VAL 8 -3.689 -8.976 -4.870 71 HG23 VAL 8 2HG2 VAL 8 -2.167 -9.780 -4.499 72 H LEU 9 H LEU 9 0.067 -6.072 -2.821 73 HA LEU 9 HA LEU 9 -0.323 -3.454 -4.087 74 HB2 LEU 9 1HB LEU 9 -0.441 -3.708 -1.545 75 HB3 LEU 9 2HB LEU 9 1.247 -4.144 -1.580 76 HG LEU 9 HG LEU 9 0.257 -1.442 -2.528 77 HD11 LEU 9 1HD1 LEU 9 0.899 -0.599 -0.324 78 HD12 LEU 9 2HD1 LEU 9 1.224 -2.245 0.215 79 HD13 LEU 9 3HD1 LEU 9 -0.420 -1.764 -0.205 80 HD21 LEU 9 3HD2 LEU 9 2.533 -2.121 -3.227 81 HD22 LEU 9 1HD2 LEU 9 2.943 -2.376 -1.530 82 HD23 LEU 9 2HD2 LEU 9 2.550 -0.755 -2.112 83 H ASP 10 H ASP 10 0.944 -3.226 -5.770 84 HA ASP 10 HA ASP 10 3.172 -4.928 -6.304 85 HB2 ASP 10 1HB ASP 10 1.587 -3.908 -8.005 86 HB3 ASP 10 2HB ASP 10 2.433 -2.389 -7.755 87 H LEU 11 H LEU 11 5.053 -4.682 -5.315 88 HA LEU 11 HA LEU 11 5.722 -2.213 -4.020 89 HB2 LEU 11 1HB LEU 11 7.269 -4.788 -4.205 90 HB3 LEU 11 2HB LEU 11 7.730 -3.415 -3.226 91 HG LEU 11 HG LEU 11 5.276 -5.136 -2.847 92 HD11 LEU 11 1HD1 LEU 11 7.783 -4.824 -1.213 93 HD12 LEU 11 2HD1 LEU 11 7.327 -6.231 -2.171 94 HD13 LEU 11 3HD1 LEU 11 6.379 -5.784 -0.751 95 HD21 LEU 11 3HD2 LEU 11 6.261 -2.771 -1.258 96 HD22 LEU 11 1HD2 LEU 11 4.925 -3.830 -0.803 97 HD23 LEU 11 2HD2 LEU 11 4.808 -2.829 -2.250 98 H GLU 12 H GLU 12 6.474 -3.620 -7.043 99 HA GLU 12 HA GLU 12 8.918 -2.110 -7.253 100 HB2 GLU 12 1HB GLU 12 7.513 -3.733 -9.378 101 HB3 GLU 12 2HB GLU 12 9.139 -3.062 -9.504 102 HG2 GLU 12 1HG GLU 12 9.719 -4.438 -7.454 103 HG3 GLU 12 2HG GLU 12 8.168 -5.237 -7.682 104 H ARG 13 H ARG 13 5.642 -1.971 -8.544 105 HA ARG 13 HA ARG 13 6.021 0.423 -9.994 106 HB2 ARG 13 1HB ARG 13 4.023 -0.942 -10.373 107 HB3 ARG 13 2HB ARG 13 3.523 -0.729 -8.705 108 HG2 ARG 13 1HG ARG 13 2.184 0.661 -10.182 109 HG3 ARG 13 2HG ARG 13 3.167 1.660 -9.118 110 HD2 ARG 13 1HD ARG 13 4.822 1.871 -10.970 111 HD3 ARG 13 2HD ARG 13 3.665 1.059 -12.029 112 HE ARG 13 HE ARG 13 2.178 3.022 -11.059 113 HH11 ARG 13 1HH1 ARG 13 5.388 3.049 -12.548 114 HH12 ARG 13 2HH1 ARG 13 5.357 4.701 -12.954 115 HH21 ARG 13 1HH2 ARG 13 2.109 5.308 -11.634 116 HH22 ARG 13 2HH2 ARG 13 3.412 6.009 -12.444 117 H LEU 14 H LEU 14 5.407 -0.301 -6.661 118 HA LEU 14 HA LEU 14 4.779 2.241 -5.669 119 HB2 LEU 14 1HB LEU 14 4.567 0.142 -4.397 120 HB3 LEU 14 2HB LEU 14 6.311 0.016 -4.328 121 HG LEU 14 HG LEU 14 6.360 2.134 -3.026 122 HD11 LEU 14 1HD1 LEU 14 3.373 1.764 -2.983 123 HD12 LEU 14 2HD1 LEU 14 4.263 3.083 -3.755 124 HD13 LEU 14 3HD1 LEU 14 4.286 2.912 -2.005 125 HD21 LEU 14 3HD2 LEU 14 6.476 -0.052 -1.938 126 HD22 LEU 14 1HD2 LEU 14 4.718 -0.105 -1.835 127 HD23 LEU 14 2HD2 LEU 14 5.622 1.118 -0.937 128 H ALA 15 H ALA 15 7.844 0.793 -6.542 129 HA ALA 15 HA ALA 15 9.497 2.724 -5.264 130 HB1 ALA 15 3HB ALA 15 11.308 1.769 -6.589 131 HB2 ALA 15 1HB ALA 15 10.140 0.885 -7.568 132 HB3 ALA 15 2HB ALA 15 10.325 0.498 -5.858 133 H THR 16 H THR 16 7.937 2.509 -8.363 134 HA THR 16 HA THR 16 9.363 4.795 -9.367 135 HB THR 16 HB THR 16 7.782 4.450 -11.374 136 HG1 THR 16 HG1 THR 16 6.499 2.907 -9.795 137 HG21 THR 16 3HG2 THR 16 10.134 3.746 -11.360 138 HG22 THR 16 1HG2 THR 16 9.130 2.560 -12.195 139 HG23 THR 16 2HG2 THR 16 9.685 2.248 -10.549 140 H VAL 17 H VAL 17 7.083 4.666 -7.160 141 HA VAL 17 HA VAL 17 5.494 6.904 -8.147 142 HB VAL 17 HB VAL 17 5.261 5.294 -5.565 143 HG11 VAL 17 1HG1 VAL 17 3.416 7.433 -6.641 144 HG12 VAL 17 2HG1 VAL 17 4.476 7.596 -5.242 145 HG13 VAL 17 3HG1 VAL 17 3.132 6.455 -5.201 146 HG21 VAL 17 3HG2 VAL 17 3.194 4.415 -6.550 147 HG22 VAL 17 1HG2 VAL 17 4.608 4.016 -7.527 148 HG23 VAL 17 2HG2 VAL 17 3.527 5.316 -8.028 149 HA PRO 18 HA PRO 18 8.322 9.953 -6.537 150 HB2 PRO 18 1HB PRO 18 5.724 11.196 -5.727 151 HB3 PRO 18 2HB PRO 18 7.135 11.951 -6.479 152 HG2 PRO 18 1HG PRO 18 5.056 11.327 -7.970 153 HG3 PRO 18 2HG PRO 18 6.694 11.006 -8.563 154 HD2 PRO 18 1HD PRO 18 4.642 9.105 -7.545 155 HD3 PRO 18 2HD PRO 18 5.898 8.869 -8.777 156 H ALA 19 H ALA 19 9.274 10.478 -4.702 157 HA ALA 19 HA ALA 19 8.931 8.960 -2.377 158 HB1 ALA 19 3HB ALA 19 10.489 11.511 -2.771 159 HB2 ALA 19 1HB ALA 19 11.077 9.882 -3.094 160 HB3 ALA 19 2HB ALA 19 10.690 10.370 -1.443 161 H GLU 20 H GLU 20 7.743 12.057 -3.312 162 HA GLU 20 HA GLU 20 6.925 13.260 -0.959 163 HB2 GLU 20 1HB GLU 20 5.358 13.053 -3.525 164 HB3 GLU 20 2HB GLU 20 5.135 14.258 -2.273 165 HG2 GLU 20 1HG GLU 20 7.248 15.253 -2.771 166 HG3 GLU 20 2HG GLU 20 7.649 13.946 -3.892 167 H LYS 21 H LYS 21 5.482 10.640 -2.786 168 HA LYS 21 HA LYS 21 3.190 10.535 -0.960 169 HB2 LYS 21 1HB LYS 21 3.564 9.313 -3.690 170 HB3 LYS 21 2HB LYS 21 2.134 9.132 -2.694 171 HG2 LYS 21 1HG LYS 21 1.727 11.534 -2.827 172 HG3 LYS 21 2HG LYS 21 3.177 11.729 -3.818 173 HD2 LYS 21 1HD LYS 21 2.237 10.324 -5.543 174 HD3 LYS 21 2HD LYS 21 0.831 9.976 -4.547 175 HE2 LYS 21 1HE LYS 21 0.251 11.615 -6.214 176 HE3 LYS 21 2HE LYS 21 0.219 12.361 -4.623 177 HZ1 LYS 21 3HZ LYS 21 2.371 12.641 -6.661 178 HZ2 LYS 21 1HZ LYS 21 2.416 13.322 -5.109 179 HZ3 LYS 21 2HZ LYS 21 1.249 13.806 -6.188 180 H ALA 22 H ALA 22 5.554 8.389 -2.566 181 HA ALA 22 HA ALA 22 4.599 6.183 -0.922 182 HB1 ALA 22 3HB ALA 22 4.793 5.861 -3.325 183 HB2 ALA 22 1HB ALA 22 5.836 4.758 -2.427 184 HB3 ALA 22 2HB ALA 22 6.526 6.170 -3.225 185 H GLY 23 H GLY 23 6.793 8.490 -0.416 186 HA2 GLY 23 1HA GLY 23 9.292 7.431 -0.029 187 HA3 GLY 23 2HA GLY 23 8.633 8.724 0.947 188 HA PRO 24 HA PRO 24 8.688 6.097 4.528 189 HB2 PRO 24 1HB PRO 24 5.840 6.573 5.119 190 HB3 PRO 24 2HB PRO 24 7.259 7.031 6.063 191 HG2 PRO 24 1HG PRO 24 5.814 8.871 4.776 192 HG3 PRO 24 2HG PRO 24 7.581 8.992 4.864 193 HD2 PRO 24 1HD PRO 24 5.861 8.025 2.607 194 HD3 PRO 24 2HD PRO 24 7.277 9.099 2.564 195 H LEU 25 H LEU 25 6.252 5.564 2.203 196 HA LEU 25 HA LEU 25 5.175 3.175 3.310 197 HB2 LEU 25 1HB LEU 25 3.798 4.583 1.956 198 HB3 LEU 25 2HB LEU 25 4.892 4.491 0.608 199 HG LEU 25 HG LEU 25 4.232 2.163 0.209 200 HD11 LEU 25 1HD1 LEU 25 2.418 2.518 2.593 201 HD12 LEU 25 2HD1 LEU 25 3.848 1.483 2.533 202 HD13 LEU 25 3HD1 LEU 25 2.456 1.125 1.511 203 HD21 LEU 25 3HD2 LEU 25 1.926 2.545 -0.397 204 HD22 LEU 25 1HD2 LEU 25 2.907 3.957 -0.788 205 HD23 LEU 25 2HD2 LEU 25 1.866 3.970 0.638 206 H GLN 26 H GLN 26 7.575 3.911 0.828 207 HA GLN 26 HA GLN 26 8.119 1.255 0.035 208 HB2 GLN 26 1HB GLN 26 10.026 3.604 0.170 209 HB3 GLN 26 2HB GLN 26 10.309 2.121 -0.726 210 HG2 GLN 26 1HG GLN 26 8.447 2.624 -2.196 211 HG3 GLN 26 2HG GLN 26 8.070 4.065 -1.255 212 HE21 GLN 26 2HE2 GLN 26 8.640 3.946 -4.037 213 HE22 GLN 26 1HE2 GLN 26 10.058 4.881 -4.322 214 H ARG 27 H ARG 27 9.205 3.212 2.685 215 HA ARG 27 HA ARG 27 11.183 1.406 3.637 216 HB2 ARG 27 1HB ARG 27 9.832 3.771 4.846 217 HB3 ARG 27 2HB ARG 27 10.744 2.705 5.895 218 HG2 ARG 27 1HG ARG 27 12.127 4.569 5.235 219 HG3 ARG 27 2HG ARG 27 12.750 3.098 4.493 220 HD2 ARG 27 1HD ARG 27 11.537 3.719 2.421 221 HD3 ARG 27 2HD ARG 27 11.089 5.237 3.192 222 HE ARG 27 HE ARG 27 13.903 4.691 3.176 223 HH11 ARG 27 1HH1 ARG 27 11.213 6.227 1.512 224 HH12 ARG 27 2HH1 ARG 27 12.190 7.156 0.463 225 HH21 ARG 27 1HH2 ARG 27 15.273 5.987 1.766 226 HH22 ARG 27 2HH2 ARG 27 14.550 7.009 0.606 227 H TYR 28 H TYR 28 7.781 1.877 4.428 228 HA TYR 28 HA TYR 28 7.736 -0.022 6.514 229 HB2 TYR 28 1HB TYR 28 5.915 1.654 6.128 230 HB3 TYR 28 2HB TYR 28 5.429 0.743 4.706 231 HD1 TYR 28 HD2 TYR 28 5.814 0.456 8.387 232 HD2 TYR 28 HD1 TYR 28 3.974 -1.114 4.899 233 HE1 TYR 28 HE2 TYR 28 4.445 -1.024 9.793 234 HE2 TYR 28 HE1 TYR 28 2.606 -2.600 6.293 235 HH TYR 28 HH TYR 28 2.434 -2.289 9.711 236 H ALA 29 H ALA 29 7.233 -0.244 3.073 237 HA ALA 29 HA ALA 29 6.518 -2.926 2.866 238 HB1 ALA 29 3HB ALA 29 7.361 -2.813 0.571 239 HB2 ALA 29 1HB ALA 29 8.182 -1.297 0.945 240 HB3 ALA 29 2HB ALA 29 6.420 -1.374 0.977 241 H ALA 30 H ALA 30 9.736 -1.430 2.980 242 HA ALA 30 HA ALA 30 11.219 -3.814 2.716 243 HB1 ALA 30 3HB ALA 30 12.215 -1.595 2.420 244 HB2 ALA 30 1HB ALA 30 13.096 -2.539 3.621 245 HB3 ALA 30 2HB ALA 30 11.988 -1.267 4.139 246 H THR 31 H THR 31 9.985 -2.089 5.548 247 HA THR 31 HA THR 31 11.044 -3.761 7.506 248 HB THR 31 HB THR 31 8.452 -2.171 7.555 249 HG1 THR 31 HG1 THR 31 11.150 -1.574 8.131 250 HG21 THR 31 3HG2 THR 31 10.225 -3.121 9.825 251 HG22 THR 31 1HG2 THR 31 8.637 -3.779 9.429 252 HG23 THR 31 2HG2 THR 31 8.787 -2.117 9.995 253 H ILE 32 H ILE 32 8.099 -4.034 5.568 254 HA ILE 32 HA ILE 32 7.060 -6.314 6.884 255 HB ILE 32 HB ILE 32 6.645 -5.433 4.007 256 HG12 ILE 32 1HG1 ILE 32 5.873 -3.780 5.630 257 HG13 ILE 32 2HG1 ILE 32 4.509 -4.536 4.812 258 HG21 ILE 32 1HG2 ILE 32 4.631 -6.854 4.061 259 HG22 ILE 32 2HG2 ILE 32 5.110 -7.449 5.651 260 HG23 ILE 32 3HG2 ILE 32 6.115 -7.791 4.240 261 HD11 ILE 32 3HD1 ILE 32 4.167 -5.976 6.767 262 HD12 ILE 32 1HD1 ILE 32 4.051 -4.261 7.157 263 HD13 ILE 32 2HD1 ILE 32 5.502 -5.157 7.584 264 H GLN 33 H GLN 33 9.123 -5.935 4.052 265 HA GLN 33 HA GLN 33 9.432 -8.627 3.429 266 HB2 GLN 33 1HB GLN 33 11.268 -6.285 3.046 267 HB3 GLN 33 2HB GLN 33 11.630 -7.895 2.429 268 HG2 GLN 33 1HG GLN 33 9.221 -6.247 1.735 269 HG3 GLN 33 2HG GLN 33 10.639 -6.501 0.712 270 HE21 GLN 33 2HE2 GLN 33 11.061 -8.576 -0.054 271 HE22 GLN 33 1HE2 GLN 33 9.764 -9.719 -0.201 272 H SER 34 H SER 34 11.245 -6.613 5.633 273 HA SER 34 HA SER 34 13.117 -8.559 6.391 274 HB2 SER 34 1HB SER 34 12.064 -6.206 7.971 275 HB3 SER 34 2HB SER 34 13.558 -7.092 8.302 276 HG SER 34 HG SER 34 13.164 -5.972 5.742 277 H GLN 35 H GLN 35 9.827 -7.921 7.445 278 HA GLN 35 HA GLN 35 9.972 -9.754 9.646 279 HB2 GLN 35 1HB GLN 35 7.629 -8.368 8.337 280 HB3 GLN 35 2HB GLN 35 7.466 -9.445 9.714 281 HG2 GLN 35 1HG GLN 35 8.855 -7.972 11.057 282 HG3 GLN 35 2HG GLN 35 9.085 -6.906 9.671 283 HE21 GLN 35 2HE2 GLN 35 7.400 -5.610 9.024 284 HE22 GLN 35 1HE2 GLN 35 6.026 -5.293 10.021 285 H ARG 36 H ARG 36 9.007 -9.890 6.294 286 HA ARG 36 HA ARG 36 7.690 -12.432 6.426 287 HB2 ARG 36 1HB ARG 36 8.898 -10.942 4.091 288 HB3 ARG 36 2HB ARG 36 8.006 -12.438 3.923 289 HG2 ARG 36 1HG ARG 36 6.895 -9.852 5.006 290 HG3 ARG 36 2HG ARG 36 6.673 -10.446 3.360 291 HD2 ARG 36 1HD ARG 36 5.603 -12.487 4.355 292 HD3 ARG 36 2HD ARG 36 5.665 -11.682 5.922 293 HE ARG 36 HE ARG 36 4.419 -10.110 3.906 294 HH11 ARG 36 1HH1 ARG 36 3.843 -12.685 6.251 295 HH12 ARG 36 2HH1 ARG 36 2.159 -12.486 6.330 296 HH21 ARG 36 1HH2 ARG 36 1.986 -9.838 3.952 297 HH22 ARG 36 2HH2 ARG 36 1.091 -10.833 4.976 298 H GLY 37 H GLY 37 10.987 -11.413 6.053 299 HA2 GLY 37 1HA GLY 37 12.974 -12.582 6.051 300 HA3 GLY 37 2HA GLY 37 12.065 -13.964 6.657 301 H ASP 38 H ASP 38 11.549 -12.257 3.624 302 HA ASP 38 HA ASP 38 12.554 -14.498 2.065 303 HB2 ASP 38 1HB ASP 38 10.078 -14.882 2.650 304 HB3 ASP 38 2HB ASP 38 9.737 -13.450 1.691 305 H TYR 39 H TYR 39 12.839 -13.771 -0.203 306 HA TYR 39 HA TYR 39 13.157 -10.895 -0.105 307 HB2 TYR 39 1HB TYR 39 14.786 -11.040 -1.887 308 HB3 TYR 39 2HB TYR 39 15.209 -12.109 -0.567 309 HD1 TYR 39 HD2 TYR 39 14.019 -11.934 -4.043 310 HD2 TYR 39 HD1 TYR 39 15.355 -14.487 -0.924 311 HE1 TYR 39 HE2 TYR 39 14.323 -13.741 -5.673 312 HE2 TYR 39 HE1 TYR 39 15.673 -16.313 -2.552 313 HH TYR 39 HH TYR 39 14.790 -16.932 -4.784 314 H ASN 40 H ASN 40 10.806 -12.803 -1.219 315 HA ASN 40 HA ASN 40 10.403 -11.584 -3.784 316 HB2 ASN 40 1HB ASN 40 9.305 -13.726 -3.327 317 HB3 ASN 40 2HB ASN 40 8.386 -12.991 -2.017 318 HD21 ASN 40 2HD2 ASN 40 6.412 -13.454 -2.939 319 HD22 ASN 40 1HD2 ASN 40 5.798 -12.666 -4.347 320 H GLY 41 H GLY 41 10.546 -9.463 -3.573 321 HA2 GLY 41 1HA GLY 41 8.358 -8.176 -2.092 322 HA3 GLY 41 2HA GLY 41 9.976 -7.482 -2.200 323 H LYS 42 H LYS 42 8.142 -9.095 -4.641 324 HA LYS 42 HA LYS 42 8.531 -6.782 -6.357 325 HB2 LYS 42 1HB LYS 42 7.194 -9.399 -7.060 326 HB3 LYS 42 2HB LYS 42 7.842 -8.198 -8.166 327 HG2 LYS 42 1HG LYS 42 9.401 -10.022 -6.341 328 HG3 LYS 42 2HG LYS 42 9.345 -10.054 -8.101 329 HD2 LYS 42 1HD LYS 42 10.410 -7.801 -8.124 330 HD3 LYS 42 2HD LYS 42 10.526 -7.882 -6.367 331 HE2 LYS 42 1HE LYS 42 12.646 -8.514 -7.338 332 HE3 LYS 42 2HE LYS 42 11.904 -9.915 -6.574 333 HZ1 LYS 42 3HZ LYS 42 11.142 -10.631 -8.781 334 HZ2 LYS 42 1HZ LYS 42 12.821 -10.495 -8.720 335 HZ3 LYS 42 2HZ LYS 42 11.925 -9.304 -9.482 336 H VAL 43 H VAL 43 6.069 -8.679 -4.829 337 HA VAL 43 HA VAL 43 4.192 -6.501 -4.960 338 HB VAL 43 HB VAL 43 2.306 -8.084 -5.393 339 HG11 VAL 43 1HG1 VAL 43 3.143 -6.822 -7.286 340 HG12 VAL 43 2HG1 VAL 43 2.622 -8.426 -7.804 341 HG13 VAL 43 3HG1 VAL 43 4.340 -8.073 -7.612 342 HG21 VAL 43 3HG2 VAL 43 4.459 -10.105 -6.028 343 HG22 VAL 43 1HG2 VAL 43 2.729 -10.327 -6.284 344 HG23 VAL 43 2HG2 VAL 43 3.363 -10.153 -4.646 345 H LEU 44 H LEU 44 2.744 -6.651 -3.165 346 HA LEU 44 HA LEU 44 3.610 -8.559 -1.114 347 HB2 LEU 44 1HB LEU 44 4.383 -6.267 -0.665 348 HB3 LEU 44 2HB LEU 44 2.730 -5.698 -0.753 349 HG LEU 44 HG LEU 44 2.181 -7.067 1.230 350 HD11 LEU 44 1HD1 LEU 44 3.881 -8.798 0.961 351 HD12 LEU 44 2HD1 LEU 44 3.966 -8.060 2.551 352 HD13 LEU 44 3HD1 LEU 44 5.145 -7.620 1.315 353 HD21 LEU 44 3HD2 LEU 44 2.797 -4.710 1.459 354 HD22 LEU 44 1HD2 LEU 44 4.494 -5.165 1.605 355 HD23 LEU 44 2HD2 LEU 44 3.336 -5.649 2.848 356 H SER 45 H SER 45 2.007 -9.662 -0.124 357 HA SER 45 HA SER 45 -0.734 -9.081 -0.917 358 HB2 SER 45 1HB SER 45 -1.065 -11.434 -0.037 359 HB3 SER 45 2HB SER 45 -0.060 -11.280 -1.482 360 HG SER 45 HG SER 45 0.809 -11.581 1.203 361 H ILE 46 H ILE 46 -1.955 -8.062 0.529 362 HA ILE 46 HA ILE 46 -1.719 -8.724 3.361 363 HB ILE 46 HB ILE 46 -2.099 -6.303 3.933 364 HG12 ILE 46 1HG1 ILE 46 -1.204 -5.825 1.075 365 HG13 ILE 46 2HG1 ILE 46 -2.807 -5.512 1.723 366 HG21 ILE 46 1HG2 ILE 46 0.548 -6.988 2.691 367 HG22 ILE 46 2HG2 ILE 46 0.049 -7.292 4.354 368 HG23 ILE 46 3HG2 ILE 46 0.267 -5.636 3.785 369 HD11 ILE 46 3HD1 ILE 46 -1.507 -3.468 1.489 370 HD12 ILE 46 1HD1 ILE 46 -0.267 -4.125 2.555 371 HD13 ILE 46 2HD1 ILE 46 -1.881 -3.786 3.183 372 H ARG 47 H ARG 47 -3.650 -7.778 4.569 373 HA ARG 47 HA ARG 47 -6.087 -7.842 2.893 374 HB2 ARG 47 1HB ARG 47 -5.715 -8.351 5.852 375 HB3 ARG 47 2HB ARG 47 -7.234 -8.439 4.976 376 HG2 ARG 47 1HG ARG 47 -4.851 -10.217 4.552 377 HG3 ARG 47 2HG ARG 47 -6.324 -10.652 5.422 378 HD2 ARG 47 1HD ARG 47 -7.615 -10.340 3.375 379 HD3 ARG 47 2HD ARG 47 -6.149 -9.885 2.512 380 HE ARG 47 HE ARG 47 -5.582 -12.309 3.569 381 HH11 ARG 47 1HH1 ARG 47 -8.132 -11.061 1.472 382 HH12 ARG 47 2HH1 ARG 47 -8.367 -12.510 0.618 383 HH21 ARG 47 1HH2 ARG 47 -5.886 -14.336 2.392 384 HH22 ARG 47 2HH2 ARG 47 -7.077 -14.429 1.188 385 H GLN 48 H GLN 48 -7.839 -6.509 3.906 386 HA GLN 48 HA GLN 48 -7.089 -3.795 3.937 387 HB2 GLN 48 1HB GLN 48 -9.419 -3.370 4.556 388 HB3 GLN 48 2HB GLN 48 -9.326 -4.593 3.297 389 HG2 GLN 48 1HG GLN 48 -9.625 -6.344 5.008 390 HG3 GLN 48 2HG GLN 48 -9.774 -5.088 6.231 391 HE21 GLN 48 2HE2 GLN 48 -11.238 -6.692 3.595 392 HE22 GLN 48 1HE2 GLN 48 -12.822 -6.016 3.791 393 H ASP 49 H ASP 49 -7.511 -6.153 6.366 394 HA ASP 49 HA ASP 49 -7.613 -4.581 8.699 395 HB2 ASP 49 1HB ASP 49 -8.331 -6.883 8.689 396 HB3 ASP 49 2HB ASP 49 -6.739 -7.421 8.180 397 H ASP 50 H ASP 50 -5.018 -5.778 6.717 398 HA ASP 50 HA ASP 50 -2.951 -5.025 8.614 399 HB2 ASP 50 1HB ASP 50 -2.669 -5.835 5.723 400 HB3 ASP 50 2HB ASP 50 -1.371 -5.766 6.910 401 H LEU 51 H LEU 51 -4.264 -4.036 5.518 402 HA LEU 51 HA LEU 51 -2.635 -1.905 4.839 403 HB2 LEU 51 1HB LEU 51 -4.341 -2.961 3.398 404 HB3 LEU 51 2HB LEU 51 -5.596 -2.208 4.354 405 HG LEU 51 HG LEU 51 -4.796 0.014 3.613 406 HD11 LEU 51 1HD1 LEU 51 -3.228 0.146 1.729 407 HD12 LEU 51 2HD1 LEU 51 -2.937 -1.588 1.863 408 HD13 LEU 51 3HD1 LEU 51 -2.474 -0.511 3.180 409 HD21 LEU 51 3HD2 LEU 51 -5.622 -0.165 1.319 410 HD22 LEU 51 1HD2 LEU 51 -6.615 -1.106 2.432 411 HD23 LEU 51 2HD2 LEU 51 -5.446 -1.918 1.390 412 H ARG 52 H ARG 52 -5.314 -2.061 7.050 413 HA ARG 52 HA ARG 52 -5.933 0.559 7.580 414 HB2 ARG 52 1HB ARG 52 -7.147 -1.326 8.521 415 HB3 ARG 52 2HB ARG 52 -5.756 -1.770 9.491 416 HG2 ARG 52 1HG ARG 52 -5.993 0.278 10.793 417 HG3 ARG 52 2HG ARG 52 -7.371 0.758 9.800 418 HD2 ARG 52 1HD ARG 52 -8.599 -1.212 10.516 419 HD3 ARG 52 2HD ARG 52 -7.220 -1.764 11.453 420 HE ARG 52 HE ARG 52 -7.854 0.774 12.334 421 HH11 ARG 52 1HH1 ARG 52 -9.420 -2.379 12.207 422 HH12 ARG 52 2HH1 ARG 52 -10.316 -2.184 13.634 423 HH21 ARG 52 1HH2 ARG 52 -9.065 1.061 14.363 424 HH22 ARG 52 2HH2 ARG 52 -10.104 -0.200 14.884 425 H THR 53 H THR 53 -3.262 -1.367 8.896 426 HA THR 53 HA THR 53 -2.301 0.408 10.822 427 HB THR 53 HB THR 53 -0.742 -1.569 9.140 428 HG1 THR 53 HG1 THR 53 -1.854 -3.000 10.162 429 HG21 THR 53 3HG2 THR 53 -0.190 -0.453 11.903 430 HG22 THR 53 1HG2 THR 53 0.709 -0.062 10.437 431 HG23 THR 53 2HG2 THR 53 0.764 -1.697 11.097 432 H LEU 54 H LEU 54 -1.612 0.112 7.368 433 HA LEU 54 HA LEU 54 0.587 1.884 7.289 434 HB2 LEU 54 1HB LEU 54 -1.284 0.959 5.108 435 HB3 LEU 54 2HB LEU 54 0.077 2.008 4.803 436 HG LEU 54 HG LEU 54 1.592 0.184 5.618 437 HD11 LEU 54 1HD1 LEU 54 0.715 -2.102 5.697 438 HD12 LEU 54 2HD1 LEU 54 -0.928 -1.451 5.643 439 HD13 LEU 54 3HD1 LEU 54 0.131 -1.078 7.003 440 HD21 LEU 54 3HD2 LEU 54 1.419 -1.171 3.616 441 HD22 LEU 54 1HD2 LEU 54 1.213 0.542 3.258 442 HD23 LEU 54 2HD2 LEU 54 -0.195 -0.523 3.301 443 H ALA 55 H ALA 55 -2.840 2.301 6.722 444 HA ALA 55 HA ALA 55 -2.790 4.954 5.816 445 HB1 ALA 55 3HB ALA 55 -4.972 3.559 7.360 446 HB2 ALA 55 1HB ALA 55 -4.741 3.486 5.613 447 HB3 ALA 55 2HB ALA 55 -5.157 5.018 6.384 448 H VAL 56 H VAL 56 -2.853 3.614 9.046 449 HA VAL 56 HA VAL 56 -3.427 6.007 10.437 450 HB VAL 56 HB VAL 56 -2.063 3.471 11.415 451 HG11 VAL 56 1HG1 VAL 56 -2.658 4.193 13.676 452 HG12 VAL 56 2HG1 VAL 56 -3.312 5.695 13.029 453 HG13 VAL 56 3HG1 VAL 56 -1.586 5.366 12.908 454 HG21 VAL 56 3HG2 VAL 56 -4.270 2.911 12.332 455 HG22 VAL 56 1HG2 VAL 56 -4.316 3.085 10.579 456 HG23 VAL 56 2HG2 VAL 56 -4.935 4.375 11.607 457 H ILE 57 H ILE 57 -0.466 4.520 9.349 458 HA ILE 57 HA ILE 57 1.375 6.078 10.842 459 HB ILE 57 HB ILE 57 1.879 4.883 8.096 460 HG12 ILE 57 1HG1 ILE 57 2.139 3.566 10.817 461 HG13 ILE 57 2HG1 ILE 57 0.930 3.222 9.573 462 HG21 ILE 57 1HG2 ILE 57 4.218 4.734 8.862 463 HG22 ILE 57 2HG2 ILE 57 3.765 5.507 10.383 464 HG23 ILE 57 3HG2 ILE 57 3.639 6.400 8.871 465 HD11 ILE 57 3HD1 ILE 57 2.695 1.535 9.619 466 HD12 ILE 57 1HD1 ILE 57 3.895 2.783 9.285 467 HD13 ILE 57 2HD1 ILE 57 2.662 2.403 8.083 468 H TYR 58 H TYR 58 -0.400 6.691 7.917 469 HA TYR 58 HA TYR 58 1.229 9.085 7.424 470 HB2 TYR 58 1HB TYR 58 -0.843 7.929 5.536 471 HB3 TYR 58 2HB TYR 58 0.458 9.053 5.151 472 HD1 TYR 58 HD2 TYR 58 2.794 7.793 6.414 473 HD2 TYR 58 HD1 TYR 58 -0.426 6.002 4.287 474 HE1 TYR 58 HE2 TYR 58 4.199 5.832 5.929 475 HE2 TYR 58 HE1 TYR 58 0.990 4.048 3.802 476 HH TYR 58 HH TYR 58 3.916 3.490 5.412 477 H ASP 59 H ASP 59 -1.244 8.300 9.197 478 HA ASP 59 HA ASP 59 -2.988 9.307 10.212 479 HB2 ASP 59 1HB ASP 59 -1.255 11.105 10.543 480 HB3 ASP 59 2HB ASP 59 -1.817 11.875 9.069 481 H GLN 60 H GLN 60 -3.410 8.228 7.683 482 HA GLN 60 HA GLN 60 -5.398 10.039 6.504 483 HB2 GLN 60 1HB GLN 60 -3.878 7.785 5.225 484 HB3 GLN 60 2HB GLN 60 -5.134 8.717 4.442 485 HG2 GLN 60 1HG GLN 60 -3.675 10.756 4.863 486 HG3 GLN 60 2HG GLN 60 -2.398 9.622 5.308 487 HE21 GLN 60 2HE2 GLN 60 -4.806 9.123 2.833 488 HE22 GLN 60 1HE2 GLN 60 -3.720 9.151 1.493 489 H SER 61 H SER 61 -7.243 8.926 5.516 490 HA SER 61 HA SER 61 -8.224 6.833 7.236 491 HB2 SER 61 1HB SER 61 -9.741 8.674 6.598 492 HB3 SER 61 2HB SER 61 -9.525 8.275 4.893 493 HG SER 61 HG SER 61 -11.339 7.302 6.537 494 HA PRO 62 HA PRO 62 -6.889 3.427 4.712 495 HB2 PRO 62 1HB PRO 62 -9.612 2.323 5.213 496 HB3 PRO 62 2HB PRO 62 -8.031 1.564 5.454 497 HG2 PRO 62 1HG PRO 62 -9.396 2.449 7.540 498 HG3 PRO 62 2HG PRO 62 -7.646 2.704 7.447 499 HD2 PRO 62 1HD PRO 62 -9.866 4.649 6.958 500 HD3 PRO 62 2HD PRO 62 -8.294 4.886 7.754 501 H SER 63 H SER 63 -10.141 4.728 4.115 502 HA SER 63 HA SER 63 -10.582 3.529 1.621 503 HB2 SER 63 1HB SER 63 -12.222 5.482 1.462 504 HB3 SER 63 2HB SER 63 -12.406 4.406 2.854 505 HG SER 63 HG SER 63 -12.437 6.518 3.573 506 H VAL 64 H VAL 64 -9.494 6.748 2.504 507 HA VAL 64 HA VAL 64 -8.950 7.746 -0.070 508 HB VAL 64 HB VAL 64 -7.628 8.529 2.540 509 HG11 VAL 64 1HG1 VAL 64 -6.388 9.384 0.645 510 HG12 VAL 64 2HG1 VAL 64 -7.239 10.711 1.440 511 HG13 VAL 64 3HG1 VAL 64 -7.865 10.032 -0.061 512 HG21 VAL 64 3HG2 VAL 64 -10.060 8.687 2.678 513 HG22 VAL 64 1HG2 VAL 64 -10.093 9.660 1.209 514 HG23 VAL 64 2HG2 VAL 64 -9.332 10.291 2.669 515 H LEU 65 H LEU 65 -6.913 6.144 2.292 516 HA LEU 65 HA LEU 65 -4.456 6.274 0.964 517 HB2 LEU 65 1HB LEU 65 -4.914 5.606 3.362 518 HB3 LEU 65 2HB LEU 65 -5.474 4.065 2.775 519 HG LEU 65 HG LEU 65 -3.195 4.053 3.792 520 HD11 LEU 65 1HD1 LEU 65 -3.310 3.197 0.917 521 HD12 LEU 65 2HD1 LEU 65 -3.788 2.254 2.329 522 HD13 LEU 65 3HD1 LEU 65 -2.097 2.687 2.091 523 HD21 LEU 65 3HD2 LEU 65 -2.414 6.209 3.016 524 HD22 LEU 65 1HD2 LEU 65 -2.423 5.638 1.347 525 HD23 LEU 65 2HD2 LEU 65 -1.308 4.931 2.516 526 H THR 66 H THR 66 -6.984 3.790 0.887 527 HA THR 66 HA THR 66 -5.829 1.996 -0.885 528 HB THR 66 HB THR 66 -8.749 2.669 -0.437 529 HG1 THR 66 HG1 THR 66 -7.811 1.965 1.441 530 HG21 THR 66 3HG2 THR 66 -8.445 1.407 -2.520 531 HG22 THR 66 1HG2 THR 66 -9.217 0.414 -1.282 532 HG23 THR 66 2HG2 THR 66 -7.506 0.197 -1.646 533 H GLU 67 H GLU 67 -7.989 4.754 -1.554 534 HA GLU 67 HA GLU 67 -8.204 4.295 -4.307 535 HB2 GLU 67 1HB GLU 67 -8.608 6.826 -2.728 536 HB3 GLU 67 2HB GLU 67 -9.006 6.668 -4.432 537 HG2 GLU 67 1HG GLU 67 -10.565 4.842 -3.866 538 HG3 GLU 67 2HG GLU 67 -10.202 5.096 -2.162 539 H GLN 68 H GLN 68 -5.841 6.123 -2.472 540 HA GLN 68 HA GLN 68 -4.546 7.359 -4.634 541 HB2 GLN 68 1HB GLN 68 -3.593 6.451 -1.951 542 HB3 GLN 68 2HB GLN 68 -2.562 7.318 -3.088 543 HG2 GLN 68 1HG GLN 68 -4.159 9.197 -3.007 544 HG3 GLN 68 2HG GLN 68 -5.097 8.305 -1.808 545 HE21 GLN 68 2HE2 GLN 68 -1.611 8.240 -1.910 546 HE22 GLN 68 1HE2 GLN 68 -1.358 9.132 -0.463 547 H LEU 69 H LEU 69 -3.790 4.369 -2.880 548 HA LEU 69 HA LEU 69 -1.616 3.584 -4.414 549 HB2 LEU 69 1HB LEU 69 -3.501 2.138 -2.613 550 HB3 LEU 69 2HB LEU 69 -2.404 1.215 -3.610 551 HG LEU 69 HG LEU 69 -1.602 1.530 -1.298 552 HD11 LEU 69 1HD1 LEU 69 0.676 2.164 -1.875 553 HD12 LEU 69 2HD1 LEU 69 0.108 2.829 -3.401 554 HD13 LEU 69 3HD1 LEU 69 -0.035 1.100 -3.083 555 HD21 LEU 69 3HD2 LEU 69 -0.735 3.683 -0.569 556 HD22 LEU 69 1HD2 LEU 69 -2.464 3.798 -0.894 557 HD23 LEU 69 2HD2 LEU 69 -1.307 4.437 -2.059 558 H ILE 70 H ILE 70 -5.033 2.911 -4.913 559 HA ILE 70 HA ILE 70 -4.679 1.157 -7.109 560 HB ILE 70 HB ILE 70 -7.045 2.984 -6.554 561 HG12 ILE 70 1HG1 ILE 70 -6.663 0.068 -5.824 562 HG13 ILE 70 2HG1 ILE 70 -6.534 1.413 -4.692 563 HG21 ILE 70 1HG2 ILE 70 -8.315 1.414 -7.950 564 HG22 ILE 70 2HG2 ILE 70 -6.841 0.503 -8.264 565 HG23 ILE 70 3HG2 ILE 70 -6.993 2.155 -8.855 566 HD11 ILE 70 3HD1 ILE 70 -8.878 1.962 -5.075 567 HD12 ILE 70 1HD1 ILE 70 -8.697 0.298 -4.524 568 HD13 ILE 70 2HD1 ILE 70 -9.012 0.635 -6.227 569 H SER 71 H SER 71 -5.030 4.673 -6.891 570 HA SER 71 HA SER 71 -5.270 5.167 -9.653 571 HB2 SER 71 1HB SER 71 -4.372 6.994 -7.425 572 HB3 SER 71 2HB SER 71 -4.759 7.524 -9.062 573 HG SER 71 HG SER 71 -6.467 6.476 -7.065 574 H TRP 72 H TRP 72 -2.448 4.706 -7.647 575 HA TRP 72 HA TRP 72 -0.668 5.739 -9.699 576 HB2 TRP 72 1HB TRP 72 0.077 4.172 -7.238 577 HB3 TRP 72 2HB TRP 72 1.135 5.180 -8.213 578 HD1 TRP 72 HD1 TRP 72 -0.998 7.758 -8.168 579 HE1 TRP 72 HE1 TRP 72 -1.113 9.108 -5.968 580 HE3 TRP 72 HE3 TRP 72 1.007 4.305 -5.047 581 HZ2 TRP 72 HZ2 TRP 72 -0.377 8.736 -3.252 582 HZ3 TRP 72 HZ3 TRP 72 1.302 4.864 -2.652 583 HH2 TRP 72 HH2 TRP 72 0.620 7.031 -1.783 584 H GLY 73 H GLY 73 -2.354 2.949 -9.250 585 HA2 GLY 73 1HA GLY 73 -2.369 1.018 -10.526 586 HA3 GLY 73 2HA GLY 73 -0.865 1.540 -11.278 587 H VAL 74 H VAL 74 -1.081 1.527 -7.882 588 HA VAL 74 HA VAL 74 0.977 -0.528 -7.783 589 HB VAL 74 HB VAL 74 -0.049 1.337 -5.621 590 HG11 VAL 74 1HG1 VAL 74 0.825 -0.728 -4.679 591 HG12 VAL 74 2HG1 VAL 74 1.909 0.625 -4.341 592 HG13 VAL 74 3HG1 VAL 74 2.312 -0.536 -5.607 593 HG21 VAL 74 3HG2 VAL 74 2.043 2.520 -5.906 594 HG22 VAL 74 1HG2 VAL 74 1.165 2.463 -7.435 595 HG23 VAL 74 2HG2 VAL 74 2.536 1.384 -7.158 596 H LEU 75 H LEU 75 -2.194 0.193 -6.440 597 HA LEU 75 HA LEU 75 -2.295 -2.518 -5.337 598 HB2 LEU 75 1HB LEU 75 -2.626 -0.738 -3.743 599 HB3 LEU 75 2HB LEU 75 -3.911 -0.046 -4.719 600 HG LEU 75 HG LEU 75 -5.268 -2.080 -4.241 601 HD11 LEU 75 1HD1 LEU 75 -3.438 -3.638 -3.811 602 HD12 LEU 75 2HD1 LEU 75 -4.573 -3.568 -2.467 603 HD13 LEU 75 3HD1 LEU 75 -3.018 -2.739 -2.349 604 HD21 LEU 75 3HD2 LEU 75 -5.745 -1.491 -1.911 605 HD22 LEU 75 1HD2 LEU 75 -5.544 -0.059 -2.921 606 HD23 LEU 75 2HD2 LEU 75 -4.244 -0.568 -1.845 607 H ASP 76 H ASP 76 -3.910 -3.869 -5.896 608 HA ASP 76 HA ASP 76 -5.170 -3.680 -8.410 609 HB2 ASP 76 1HB ASP 76 -4.718 -5.814 -7.111 610 HB3 ASP 76 2HB ASP 76 -6.065 -5.392 -6.067 611 H ALA 77 H ALA 77 -7.214 -3.056 -8.972 612 HA ALA 77 HA ALA 77 -8.409 -1.026 -7.415 613 HB1 ALA 77 3HB ALA 77 -8.412 -1.029 -9.872 614 HB2 ALA 77 1HB ALA 77 -10.026 -0.820 -9.185 615 HB3 ALA 77 2HB ALA 77 -9.543 -2.383 -9.840 616 H ASP 78 H ASP 78 -8.904 -4.396 -7.457 617 HA ASP 78 HA ASP 78 -11.626 -4.654 -6.819 618 HB2 ASP 78 1HB ASP 78 -10.074 -6.556 -7.452 619 HB3 ASP 78 2HB ASP 78 -9.458 -6.502 -5.807 620 H ALA 79 H ALA 79 -9.053 -3.547 -4.967 621 HA ALA 79 HA ALA 79 -9.623 -4.039 -2.318 622 HB1 ALA 79 3HB ALA 79 -8.703 -1.431 -3.488 623 HB2 ALA 79 1HB ALA 79 -7.669 -2.820 -3.160 624 HB3 ALA 79 2HB ALA 79 -8.465 -1.979 -1.829 625 H ARG 80 H ARG 80 -11.275 -1.968 -4.510 626 HA ARG 80 HA ARG 80 -12.696 -0.305 -2.800 627 HB2 ARG 80 1HB ARG 80 -14.278 -0.033 -4.683 628 HB3 ARG 80 2HB ARG 80 -12.596 0.128 -5.156 629 HG2 ARG 80 1HG ARG 80 -12.705 -2.282 -5.903 630 HG3 ARG 80 2HG ARG 80 -14.452 -2.172 -5.682 631 HD2 ARG 80 1HD ARG 80 -12.779 -0.407 -7.450 632 HD3 ARG 80 2HD ARG 80 -13.742 -1.761 -7.998 633 HE ARG 80 HE ARG 80 -15.698 -0.519 -6.994 634 HH11 ARG 80 1HH1 ARG 80 -12.928 1.306 -8.235 635 HH12 ARG 80 2HH1 ARG 80 -13.857 2.616 -8.770 636 HH21 ARG 80 1HH2 ARG 80 -16.975 1.259 -7.770 637 HH22 ARG 80 2HH2 ARG 80 -16.209 2.598 -8.502 638 H ARG 81 H ARG 81 -13.381 -3.702 -3.642 639 HA ARG 81 HA ARG 81 -15.937 -3.499 -2.304 640 HB2 ARG 81 1HB ARG 81 -16.265 -5.886 -2.720 641 HB3 ARG 81 2HB ARG 81 -15.798 -5.061 -4.193 642 HG2 ARG 81 1HG ARG 81 -13.553 -5.963 -4.020 643 HG3 ARG 81 2HG ARG 81 -13.944 -6.680 -2.461 644 HD2 ARG 81 1HD ARG 81 -14.022 -8.323 -4.310 645 HD3 ARG 81 2HD ARG 81 -15.564 -8.153 -3.478 646 HE ARG 81 HE ARG 81 -15.553 -6.410 -5.641 647 HH11 ARG 81 1HH1 ARG 81 -15.463 -9.917 -5.143 648 HH12 ARG 81 2HH1 ARG 81 -16.326 -10.290 -6.553 649 HH21 ARG 81 1HH2 ARG 81 -16.794 -6.951 -7.605 650 HH22 ARG 81 2HH2 ARG 81 -17.095 -8.597 -7.950 651 H ALA 82 H ALA 82 -12.751 -4.019 -1.379 652 HA ALA 82 HA ALA 82 -13.323 -5.600 0.964 653 HB1 ALA 82 3HB ALA 82 -10.861 -3.979 0.290 654 HB2 ALA 82 1HB ALA 82 -11.103 -5.681 -0.106 655 HB3 ALA 82 2HB ALA 82 -10.989 -5.178 1.579 656 H VAL 83 H VAL 83 -13.091 -2.246 0.114 657 HA VAL 83 HA VAL 83 -13.276 -1.314 2.833 658 HB VAL 83 HB VAL 83 -13.742 0.301 0.287 659 HG11 VAL 83 1HG1 VAL 83 -14.441 1.455 2.314 660 HG12 VAL 83 2HG1 VAL 83 -13.011 2.228 1.629 661 HG13 VAL 83 3HG1 VAL 83 -12.857 1.177 3.036 662 HG21 VAL 83 3HG2 VAL 83 -11.134 -0.202 1.719 663 HG22 VAL 83 1HG2 VAL 83 -11.363 0.924 0.381 664 HG23 VAL 83 2HG2 VAL 83 -11.580 -0.808 0.125 665 H ALA 84 H ALA 84 -15.341 -2.857 0.965 666 HA ALA 84 HA ALA 84 -17.725 -1.513 2.028 667 HB1 ALA 84 3HB ALA 84 -17.511 -3.455 -0.281 668 HB2 ALA 84 1HB ALA 84 -17.703 -1.708 -0.430 669 HB3 ALA 84 2HB ALA 84 -18.991 -2.683 0.279 670 H SER 85 H SER 85 -16.526 -4.777 1.185 671 HA SER 85 HA SER 85 -18.052 -5.883 3.373 672 HB2 SER 85 1HB SER 85 -16.357 -7.241 1.263 673 HB3 SER 85 2HB SER 85 -17.478 -8.030 2.380 674 HG SER 85 HG SER 85 -19.029 -6.424 1.394 675 H HIS 86 H HIS 86 -16.994 -5.286 5.159 676 HA HIS 86 HA HIS 86 -14.127 -5.739 5.432 677 HB2 HIS 86 1HB HIS 86 -16.086 -4.755 7.515 678 HB3 HIS 86 2HB HIS 86 -14.339 -4.698 7.607 679 HD1 HIS 86 HD1 HIS 86 -13.244 -3.037 5.701 680 HD2 HIS 86 HD2 HIS 86 -17.241 -2.521 6.638 681 HE1 HIS 86 HE1 HIS 86 -13.824 -0.652 5.035 682 H ASP 87 H ASP 87 -17.216 -6.867 6.641 683 HA ASP 87 HA ASP 87 -15.975 -8.654 8.533 684 HB2 ASP 87 1HB ASP 87 -18.186 -9.224 9.302 685 HB3 ASP 87 2HB ASP 87 -18.053 -7.479 9.156 686 H GLU 88 H GLU 88 -15.946 -10.767 8.551 687 HA GLU 88 HA GLU 88 -17.266 -12.473 6.769 688 HB2 GLU 88 1HB GLU 88 -15.483 -11.564 5.237 689 HB3 GLU 88 2HB GLU 88 -14.268 -12.094 6.387 690 HG2 GLU 88 1HG GLU 88 -15.001 -14.414 6.057 691 HG3 GLU 88 2HG GLU 88 -16.169 -13.856 4.863 692 H LEU 89 H LEU 89 -16.440 -14.723 7.293 693 HA LEU 89 HA LEU 89 -15.768 -14.884 10.093 694 HB2 LEU 89 1HB LEU 89 -16.417 -17.068 8.086 695 HB3 LEU 89 2HB LEU 89 -16.154 -17.324 9.794 696 HG LEU 89 HG LEU 89 -18.459 -17.470 9.501 697 HD11 LEU 89 1HD1 LEU 89 -17.959 -14.677 10.460 698 HD12 LEU 89 2HD1 LEU 89 -17.901 -16.156 11.416 699 HD13 LEU 89 3HD1 LEU 89 -19.431 -15.614 10.722 700 HD21 LEU 89 3HD2 LEU 89 -19.858 -15.823 8.317 701 HD22 LEU 89 1HD2 LEU 89 -18.667 -16.566 7.250 702 HD23 LEU 89 2HD2 LEU 89 -18.408 -14.932 7.861 Start of MODEL 3 1 H1 MET 1 1H MET 1 -18.321 -14.671 5.498 2 H2 MET 1 2H MET 1 -17.913 -16.312 5.369 3 H3 MET 1 3H MET 1 -17.771 -15.315 4.044 4 HA MET 1 HA MET 1 -16.021 -14.093 5.004 5 HB2 MET 1 1HB MET 1 -16.351 -15.998 7.332 6 HB3 MET 1 2HB MET 1 -14.959 -14.958 7.102 7 HG2 MET 1 1HG MET 1 -16.447 -12.997 7.281 8 HG3 MET 1 2HG MET 1 -17.797 -14.086 7.603 9 HE1 MET 1 3HE MET 1 -17.932 -15.679 9.754 10 HE2 MET 1 1HE MET 1 -16.713 -15.712 11.027 11 HE3 MET 1 2HE MET 1 -16.328 -16.338 9.428 12 H GLU 2 H GLU 2 -14.622 -14.721 3.549 13 HA GLU 2 HA GLU 2 -13.643 -17.444 3.682 14 HB2 GLU 2 1HB GLU 2 -13.123 -16.795 1.117 15 HB3 GLU 2 2HB GLU 2 -14.616 -17.569 1.619 16 HG2 GLU 2 1HG GLU 2 -14.987 -15.769 0.017 17 HG3 GLU 2 2HG GLU 2 -15.764 -15.439 1.558 18 HA PRO 3 HA PRO 3 -9.404 -16.112 4.168 19 HB2 PRO 3 1HB PRO 3 -8.940 -16.662 1.251 20 HB3 PRO 3 2HB PRO 3 -7.920 -17.075 2.635 21 HG2 PRO 3 1HG PRO 3 -9.445 -18.934 1.544 22 HG3 PRO 3 2HG PRO 3 -9.319 -18.822 3.307 23 HD2 PRO 3 1HD PRO 3 -11.555 -18.037 1.515 24 HD3 PRO 3 2HD PRO 3 -11.610 -18.657 3.173 25 HA PRO 4 HA PRO 4 -10.152 -11.783 3.161 26 HB2 PRO 4 1HB PRO 4 -7.349 -11.671 4.177 27 HB3 PRO 4 2HB PRO 4 -8.732 -10.649 4.587 28 HG2 PRO 4 1HG PRO 4 -7.953 -12.548 6.252 29 HG3 PRO 4 2HG PRO 4 -9.678 -12.259 5.967 30 HD2 PRO 4 1HD PRO 4 -7.938 -14.460 4.960 31 HD3 PRO 4 2HD PRO 4 -9.653 -14.488 5.424 32 HA PRO 5 HA PRO 5 -8.170 -11.582 -0.892 33 HB2 PRO 5 1HB PRO 5 -9.284 -8.833 -0.616 34 HB3 PRO 5 2HB PRO 5 -9.429 -9.954 -1.973 35 HG2 PRO 5 1HG PRO 5 -11.492 -9.547 -0.369 36 HG3 PRO 5 2HG PRO 5 -11.114 -11.185 -0.936 37 HD2 PRO 5 1HD PRO 5 -10.587 -9.932 1.726 38 HD3 PRO 5 2HD PRO 5 -11.115 -11.587 1.333 39 H LYS 6 H LYS 6 -6.073 -11.308 -0.792 40 HA LYS 6 HA LYS 6 -4.899 -9.445 1.013 41 HB2 LYS 6 1HB LYS 6 -3.639 -11.279 -1.025 42 HB3 LYS 6 2HB LYS 6 -2.777 -10.363 0.207 43 HG2 LYS 6 1HG LYS 6 -3.882 -11.605 1.960 44 HG3 LYS 6 2HG LYS 6 -4.849 -12.471 0.770 45 HD2 LYS 6 1HD LYS 6 -2.792 -13.428 -0.172 46 HD3 LYS 6 2HD LYS 6 -1.854 -12.575 1.060 47 HE2 LYS 6 1HE LYS 6 -3.009 -13.798 2.805 48 HE3 LYS 6 2HE LYS 6 -4.001 -14.619 1.602 49 HZ1 LYS 6 3HZ LYS 6 -1.932 -15.587 0.699 50 HZ2 LYS 6 1HZ LYS 6 -2.178 -16.005 2.326 51 HZ3 LYS 6 2HZ LYS 6 -1.073 -14.815 1.915 52 H LEU 7 H LEU 7 -4.151 -7.567 0.576 53 HA LEU 7 HA LEU 7 -4.708 -6.380 -1.971 54 HB2 LEU 7 1HB LEU 7 -3.295 -5.224 0.431 55 HB3 LEU 7 2HB LEU 7 -3.970 -4.331 -0.912 56 HG LEU 7 HG LEU 7 -5.539 -5.851 1.172 57 HD11 LEU 7 1HD1 LEU 7 -5.193 -2.911 0.670 58 HD12 LEU 7 2HD1 LEU 7 -4.574 -3.827 2.048 59 HD13 LEU 7 3HD1 LEU 7 -6.311 -3.623 1.827 60 HD21 LEU 7 3HD2 LEU 7 -7.519 -4.872 0.142 61 HD22 LEU 7 1HD2 LEU 7 -6.659 -5.901 -1.005 62 HD23 LEU 7 2HD2 LEU 7 -6.511 -4.140 -1.107 63 H VAL 8 H VAL 8 -3.341 -7.010 -3.481 64 HA VAL 8 HA VAL 8 -0.563 -7.427 -2.823 65 HB VAL 8 HB VAL 8 -1.961 -7.724 -5.502 66 HG11 VAL 8 1HG1 VAL 8 0.746 -8.697 -4.583 67 HG12 VAL 8 2HG1 VAL 8 0.443 -7.390 -5.727 68 HG13 VAL 8 3HG1 VAL 8 0.008 -9.046 -6.147 69 HG21 VAL 8 3HG2 VAL 8 -1.916 -10.145 -5.061 70 HG22 VAL 8 1HG2 VAL 8 -2.884 -9.282 -3.865 71 HG23 VAL 8 2HG2 VAL 8 -1.258 -9.833 -3.455 72 H LEU 9 H LEU 9 0.635 -5.778 -2.739 73 HA LEU 9 HA LEU 9 0.134 -3.428 -4.388 74 HB2 LEU 9 1HB LEU 9 2.135 -3.891 -2.172 75 HB3 LEU 9 2HB LEU 9 1.863 -2.375 -2.998 76 HG LEU 9 HG LEU 9 -0.123 -3.779 -1.204 77 HD11 LEU 9 1HD1 LEU 9 1.536 -1.304 -0.776 78 HD12 LEU 9 2HD1 LEU 9 1.759 -2.860 0.022 79 HD13 LEU 9 3HD1 LEU 9 0.297 -1.918 0.320 80 HD21 LEU 9 3HD2 LEU 9 -1.219 -2.502 -2.981 81 HD22 LEU 9 1HD2 LEU 9 -0.267 -1.081 -2.554 82 HD23 LEU 9 2HD2 LEU 9 -1.444 -1.729 -1.412 83 H ASP 10 H ASP 10 1.199 -3.236 -6.197 84 HA ASP 10 HA ASP 10 3.343 -5.015 -6.878 85 HB2 ASP 10 1HB ASP 10 1.675 -4.037 -8.549 86 HB3 ASP 10 2HB ASP 10 2.496 -2.516 -8.311 87 H LEU 11 H LEU 11 5.317 -4.720 -6.116 88 HA LEU 11 HA LEU 11 6.027 -2.310 -4.831 89 HB2 LEU 11 1HB LEU 11 7.675 -4.745 -5.453 90 HB3 LEU 11 2HB LEU 11 8.218 -3.410 -4.448 91 HG LEU 11 HG LEU 11 5.831 -5.166 -3.839 92 HD11 LEU 11 1HD1 LEU 11 7.905 -6.394 -3.624 93 HD12 LEU 11 2HD1 LEU 11 7.194 -6.069 -2.041 94 HD13 LEU 11 3HD1 LEU 11 8.567 -5.117 -2.605 95 HD21 LEU 11 3HD2 LEU 11 5.548 -2.939 -2.923 96 HD22 LEU 11 1HD2 LEU 11 7.173 -2.996 -2.234 97 HD23 LEU 11 2HD2 LEU 11 5.921 -4.073 -1.629 98 H GLU 12 H GLU 12 6.538 -3.457 -8.023 99 HA GLU 12 HA GLU 12 8.687 -1.723 -8.700 100 HB2 GLU 12 1HB GLU 12 6.646 -3.254 -10.272 101 HB3 GLU 12 2HB GLU 12 7.772 -2.171 -11.081 102 HG2 GLU 12 1HG GLU 12 8.544 -4.488 -9.325 103 HG3 GLU 12 2HG GLU 12 8.517 -4.512 -11.093 104 H ARG 13 H ARG 13 5.220 -1.588 -9.166 105 HA ARG 13 HA ARG 13 5.059 1.025 -10.213 106 HB2 ARG 13 1HB ARG 13 3.066 -0.562 -8.607 107 HB3 ARG 13 2HB ARG 13 2.699 0.961 -9.396 108 HG2 ARG 13 1HG ARG 13 3.717 -1.439 -10.872 109 HG3 ARG 13 2HG ARG 13 2.000 -1.100 -10.635 110 HD2 ARG 13 1HD ARG 13 2.242 1.020 -11.786 111 HD3 ARG 13 2HD ARG 13 3.975 0.756 -11.963 112 HE ARG 13 HE ARG 13 3.594 -0.608 -13.684 113 HH11 ARG 13 1HH1 ARG 13 0.476 -0.264 -11.979 114 HH12 ARG 13 2HH1 ARG 13 -0.454 -0.812 -13.275 115 HH21 ARG 13 1HH2 ARG 13 2.284 -1.457 -15.455 116 HH22 ARG 13 2HH2 ARG 13 0.603 -1.557 -15.278 117 H LEU 14 H LEU 14 4.981 -0.213 -6.939 118 HA LEU 14 HA LEU 14 4.463 2.187 -5.595 119 HB2 LEU 14 1HB LEU 14 4.359 -0.070 -4.588 120 HB3 LEU 14 2HB LEU 14 6.103 -0.171 -4.682 121 HG LEU 14 HG LEU 14 6.265 1.734 -3.104 122 HD11 LEU 14 1HD1 LEU 14 3.277 1.379 -2.887 123 HD12 LEU 14 2HD1 LEU 14 4.114 2.787 -3.548 124 HD13 LEU 14 3HD1 LEU 14 4.273 2.387 -1.841 125 HD21 LEU 14 3HD2 LEU 14 4.641 -0.600 -2.102 126 HD22 LEU 14 1HD2 LEU 14 5.686 0.443 -1.140 127 HD23 LEU 14 2HD2 LEU 14 6.386 -0.611 -2.366 128 H ALA 15 H ALA 15 7.512 0.689 -6.617 129 HA ALA 15 HA ALA 15 9.200 2.700 -5.534 130 HB1 ALA 15 3HB ALA 15 10.961 1.647 -6.847 131 HB2 ALA 15 1HB ALA 15 9.754 0.720 -7.738 132 HB3 ALA 15 2HB ALA 15 9.988 0.431 -6.015 133 H THR 16 H THR 16 7.242 2.577 -8.278 134 HA THR 16 HA THR 16 8.715 4.479 -9.849 135 HB THR 16 HB THR 16 5.880 3.431 -10.111 136 HG1 THR 16 HG1 THR 16 7.653 1.893 -10.316 137 HG21 THR 16 3HG2 THR 16 6.002 4.222 -12.450 138 HG22 THR 16 1HG2 THR 16 7.586 4.929 -12.129 139 HG23 THR 16 2HG2 THR 16 6.157 5.563 -11.317 140 H VAL 17 H VAL 17 6.301 4.507 -7.377 141 HA VAL 17 HA VAL 17 5.409 7.181 -7.877 142 HB VAL 17 HB VAL 17 5.026 5.393 -5.443 143 HG11 VAL 17 1HG1 VAL 17 3.154 6.850 -4.846 144 HG12 VAL 17 2HG1 VAL 17 3.489 7.866 -6.244 145 HG13 VAL 17 3HG1 VAL 17 4.663 7.764 -4.928 146 HG21 VAL 17 3HG2 VAL 17 2.791 4.939 -6.356 147 HG22 VAL 17 1HG2 VAL 17 4.076 4.394 -7.437 148 HG23 VAL 17 2HG2 VAL 17 3.202 5.884 -7.789 149 HA PRO 18 HA PRO 18 8.900 9.237 -6.026 150 HB2 PRO 18 1HB PRO 18 7.505 11.428 -4.996 151 HB3 PRO 18 2HB PRO 18 8.172 11.308 -6.627 152 HG2 PRO 18 1HG PRO 18 5.390 10.794 -5.667 153 HG3 PRO 18 2HG PRO 18 5.936 11.577 -7.162 154 HD2 PRO 18 1HD PRO 18 5.038 9.081 -7.185 155 HD3 PRO 18 2HD PRO 18 6.430 9.539 -8.187 156 H ALA 19 H ALA 19 9.826 9.720 -4.025 157 HA ALA 19 HA ALA 19 9.031 8.078 -1.887 158 HB1 ALA 19 3HB ALA 19 10.887 9.006 -0.651 159 HB2 ALA 19 1HB ALA 19 10.996 10.358 -1.777 160 HB3 ALA 19 2HB ALA 19 11.376 8.724 -2.323 161 H GLU 20 H GLU 20 8.421 11.428 -2.562 162 HA GLU 20 HA GLU 20 7.470 12.331 -0.121 163 HB2 GLU 20 1HB GLU 20 6.606 12.938 -2.938 164 HB3 GLU 20 2HB GLU 20 5.848 13.719 -1.562 165 HG2 GLU 20 1HG GLU 20 8.816 13.801 -2.030 166 HG3 GLU 20 2HG GLU 20 7.710 14.996 -2.709 167 H LYS 21 H LYS 21 5.979 10.090 -2.336 168 HA LYS 21 HA LYS 21 3.551 10.063 -0.649 169 HB2 LYS 21 1HB LYS 21 3.899 8.933 -3.423 170 HB3 LYS 21 2HB LYS 21 2.413 9.021 -2.512 171 HG2 LYS 21 1HG LYS 21 3.926 11.465 -3.404 172 HG3 LYS 21 2HG LYS 21 2.727 10.671 -4.407 173 HD2 LYS 21 1HD LYS 21 1.643 12.510 -3.349 174 HD3 LYS 21 2HD LYS 21 1.069 11.059 -2.549 175 HE2 LYS 21 1HE LYS 21 2.351 11.500 -0.615 176 HE3 LYS 21 2HE LYS 21 3.320 12.734 -1.435 177 HZ1 LYS 21 3HZ LYS 21 1.660 13.702 0.030 178 HZ2 LYS 21 1HZ LYS 21 0.430 12.886 -0.799 179 HZ3 LYS 21 2HZ LYS 21 1.327 14.069 -1.577 180 H ALA 22 H ALA 22 5.727 7.895 -2.450 181 HA ALA 22 HA ALA 22 4.578 5.633 -1.041 182 HB1 ALA 22 3HB ALA 22 6.572 5.706 -3.281 183 HB2 ALA 22 1HB ALA 22 4.827 5.515 -3.432 184 HB3 ALA 22 2HB ALA 22 5.786 4.266 -2.630 185 H GLY 23 H GLY 23 7.168 7.675 -0.559 186 HA2 GLY 23 1HA GLY 23 9.272 5.973 0.140 187 HA3 GLY 23 2HA GLY 23 9.020 7.592 0.765 188 HA PRO 24 HA PRO 24 7.834 6.031 4.736 189 HB2 PRO 24 1HB PRO 24 5.268 6.826 5.293 190 HB3 PRO 24 2HB PRO 24 6.648 7.922 5.313 191 HG2 PRO 24 1HG PRO 24 4.617 7.491 3.164 192 HG3 PRO 24 2HG PRO 24 5.303 9.009 3.770 193 HD2 PRO 24 1HD PRO 24 6.146 7.859 1.483 194 HD3 PRO 24 2HD PRO 24 7.243 8.769 2.529 195 H LEU 25 H LEU 25 5.699 5.274 2.177 196 HA LEU 25 HA LEU 25 4.260 3.135 3.430 197 HB2 LEU 25 1HB LEU 25 3.540 4.549 1.445 198 HB3 LEU 25 2HB LEU 25 4.730 3.712 0.503 199 HG LEU 25 HG LEU 25 2.583 2.853 -0.085 200 HD11 LEU 25 1HD1 LEU 25 4.166 1.099 -0.008 201 HD12 LEU 25 2HD1 LEU 25 2.583 0.497 0.485 202 HD13 LEU 25 3HD1 LEU 25 3.828 0.808 1.696 203 HD21 LEU 25 3HD2 LEU 25 2.019 2.420 2.831 204 HD22 LEU 25 1HD2 LEU 25 0.975 1.917 1.501 205 HD23 LEU 25 2HD2 LEU 25 1.289 3.629 1.773 206 H GLN 26 H GLN 26 6.999 3.432 1.171 207 HA GLN 26 HA GLN 26 7.555 0.704 0.946 208 HB2 GLN 26 1HB GLN 26 9.280 3.111 0.462 209 HB3 GLN 26 2HB GLN 26 9.840 1.470 0.174 210 HG2 GLN 26 1HG GLN 26 8.069 1.133 -1.454 211 HG3 GLN 26 2HG GLN 26 7.451 2.753 -1.128 212 HE21 GLN 26 2HE2 GLN 26 7.747 3.407 -3.274 213 HE22 GLN 26 1HE2 GLN 26 9.317 3.725 -3.889 214 H ARG 27 H ARG 27 8.450 2.987 3.370 215 HA ARG 27 HA ARG 27 10.563 1.527 4.563 216 HB2 ARG 27 1HB ARG 27 8.500 3.214 5.968 217 HB3 ARG 27 2HB ARG 27 10.048 2.723 6.631 218 HG2 ARG 27 1HG ARG 27 11.147 4.029 4.795 219 HG3 ARG 27 2HG ARG 27 9.551 4.610 4.331 220 HD2 ARG 27 1HD ARG 27 11.023 5.094 6.914 221 HD3 ARG 27 2HD ARG 27 10.579 6.279 5.697 222 HE ARG 27 HE ARG 27 8.490 4.829 7.172 223 HH11 ARG 27 1HH1 ARG 27 9.965 7.940 6.286 224 HH12 ARG 27 2HH1 ARG 27 8.824 8.852 7.157 225 HH21 ARG 27 1HH2 ARG 27 7.001 6.108 8.382 226 HH22 ARG 27 2HH2 ARG 27 7.123 7.817 8.375 227 H TYR 28 H TYR 28 7.123 1.599 5.244 228 HA TYR 28 HA TYR 28 7.004 -0.504 7.121 229 HB2 TYR 28 1HB TYR 28 5.205 1.178 6.758 230 HB3 TYR 28 2HB TYR 28 4.902 0.492 5.175 231 HD1 TYR 28 HD1 TYR 28 3.899 -1.839 5.032 232 HD2 TYR 28 HD2 TYR 28 4.196 0.286 8.708 233 HE1 TYR 28 HE1 TYR 28 2.173 -3.294 6.013 234 HE2 TYR 28 HE2 TYR 28 2.479 -1.172 9.690 235 HH TYR 28 HH TYR 28 0.563 -2.605 8.854 236 H ALA 29 H ALA 29 6.580 -0.361 3.631 237 HA ALA 29 HA ALA 29 5.885 -2.988 3.110 238 HB1 ALA 29 3HB ALA 29 5.808 -1.126 1.448 239 HB2 ALA 29 1HB ALA 29 6.555 -2.606 0.832 240 HB3 ALA 29 2HB ALA 29 7.567 -1.260 1.319 241 H ALA 30 H ALA 30 9.143 -1.539 3.237 242 HA ALA 30 HA ALA 30 10.575 -3.838 2.535 243 HB1 ALA 30 3HB ALA 30 11.573 -1.592 2.575 244 HB2 ALA 30 1HB ALA 30 12.511 -2.726 3.546 245 HB3 ALA 30 2HB ALA 30 11.440 -1.568 4.334 246 H THR 31 H THR 31 9.412 -2.666 5.612 247 HA THR 31 HA THR 31 10.655 -4.581 7.261 248 HB THR 31 HB THR 31 7.997 -3.178 7.714 249 HG1 THR 31 HG1 THR 31 10.320 -2.067 7.319 250 HG21 THR 31 3HG2 THR 31 8.560 -3.424 10.101 251 HG22 THR 31 1HG2 THR 31 10.043 -4.271 9.667 252 HG23 THR 31 2HG2 THR 31 8.479 -5.000 9.313 253 H ILE 32 H ILE 32 7.488 -4.518 5.643 254 HA ILE 32 HA ILE 32 6.670 -7.052 6.636 255 HB ILE 32 HB ILE 32 5.618 -5.564 4.208 256 HG12 ILE 32 1HG1 ILE 32 5.390 -4.252 6.252 257 HG13 ILE 32 2HG1 ILE 32 3.819 -4.810 5.693 258 HG21 ILE 32 1HG2 ILE 32 3.608 -6.941 4.434 259 HG22 ILE 32 2HG2 ILE 32 4.327 -7.782 5.802 260 HG23 ILE 32 3HG2 ILE 32 5.025 -7.974 4.198 261 HD11 ILE 32 3HD1 ILE 32 5.419 -5.964 7.977 262 HD12 ILE 32 1HD1 ILE 32 3.867 -6.578 7.406 263 HD13 ILE 32 2HD1 ILE 32 3.975 -4.962 8.099 264 H GLN 33 H GLN 33 8.235 -6.045 3.621 265 HA GLN 33 HA GLN 33 8.221 -8.488 2.256 266 HB2 GLN 33 1HB GLN 33 10.425 -6.425 2.331 267 HB3 GLN 33 2HB GLN 33 10.323 -7.744 1.186 268 HG2 GLN 33 1HG GLN 33 8.304 -6.788 0.241 269 HG3 GLN 33 2HG GLN 33 8.344 -5.489 1.438 270 HE21 GLN 33 2HE2 GLN 33 11.214 -6.811 -0.092 271 HE22 GLN 33 1HE2 GLN 33 11.596 -5.408 -0.991 272 H SER 34 H SER 34 10.574 -7.184 4.516 273 HA SER 34 HA SER 34 12.321 -9.373 4.428 274 HB2 SER 34 1HB SER 34 12.949 -7.078 5.131 275 HB3 SER 34 2HB SER 34 11.973 -7.270 6.580 276 HG SER 34 HG SER 34 14.387 -7.702 6.480 277 H GLN 35 H GLN 35 9.759 -8.476 6.764 278 HA GLN 35 HA GLN 35 10.405 -10.815 8.302 279 HB2 GLN 35 1HB GLN 35 8.309 -8.731 8.861 280 HB3 GLN 35 2HB GLN 35 8.813 -10.005 9.962 281 HG2 GLN 35 1HG GLN 35 10.452 -7.670 8.991 282 HG3 GLN 35 2HG GLN 35 9.874 -7.965 10.627 283 HE21 GLN 35 2HE2 GLN 35 10.944 -9.510 11.898 284 HE22 GLN 35 1HE2 GLN 35 12.498 -10.125 11.457 285 H ARG 36 H ARG 36 7.554 -9.832 6.332 286 HA ARG 36 HA ARG 36 6.431 -12.463 7.100 287 HB2 ARG 36 1HB ARG 36 4.879 -10.207 5.885 288 HB3 ARG 36 2HB ARG 36 4.282 -11.708 6.568 289 HG2 ARG 36 1HG ARG 36 5.201 -10.868 8.793 290 HG3 ARG 36 2HG ARG 36 5.408 -9.308 7.994 291 HD2 ARG 36 1HD ARG 36 2.862 -10.784 8.623 292 HD3 ARG 36 2HD ARG 36 3.306 -9.128 9.020 293 HE ARG 36 HE ARG 36 2.947 -9.825 6.206 294 HH11 ARG 36 1HH1 ARG 36 1.744 -7.986 8.983 295 HH12 ARG 36 2HH1 ARG 36 0.443 -7.303 8.123 296 HH21 ARG 36 1HH2 ARG 36 1.120 -8.920 5.061 297 HH22 ARG 36 2HH2 ARG 36 0.058 -7.854 5.909 298 H GLY 37 H GLY 37 7.285 -10.450 4.360 299 HA2 GLY 37 1HA GLY 37 6.039 -12.238 2.441 300 HA3 GLY 37 2HA GLY 37 7.060 -10.851 2.069 301 H ASP 38 H ASP 38 8.677 -12.185 4.251 302 HA ASP 38 HA ASP 38 10.754 -13.032 4.321 303 HB2 ASP 38 1HB ASP 38 9.313 -15.073 4.586 304 HB3 ASP 38 2HB ASP 38 9.554 -15.384 2.868 305 H TYR 39 H TYR 39 11.140 -11.286 2.799 306 HA TYR 39 HA TYR 39 12.375 -10.370 1.294 307 HB2 TYR 39 1HB TYR 39 13.807 -13.022 1.230 308 HB3 TYR 39 2HB TYR 39 14.383 -11.461 0.622 309 HD1 TYR 39 HD2 TYR 39 14.924 -9.638 2.147 310 HD2 TYR 39 HD1 TYR 39 13.810 -13.464 3.621 311 HE1 TYR 39 HE2 TYR 39 15.751 -9.015 4.368 312 HE2 TYR 39 HE1 TYR 39 14.623 -12.846 5.854 313 HH TYR 39 HH TYR 39 15.352 -9.628 6.633 314 H ASN 40 H ASN 40 10.869 -9.923 -0.153 315 HA ASN 40 HA ASN 40 11.346 -10.990 -2.761 316 HB2 ASN 40 1HB ASN 40 9.500 -12.478 -1.913 317 HB3 ASN 40 2HB ASN 40 8.518 -11.041 -1.644 318 HD21 ASN 40 2HD2 ASN 40 9.821 -13.200 -3.966 319 HD22 ASN 40 1HD2 ASN 40 8.937 -12.634 -5.338 320 H GLY 41 H GLY 41 11.450 -9.225 -3.992 321 HA2 GLY 41 1HA GLY 41 10.120 -6.804 -2.989 322 HA3 GLY 41 2HA GLY 41 11.645 -6.821 -3.862 323 H LYS 42 H LYS 42 8.999 -8.819 -4.764 324 HA LYS 42 HA LYS 42 8.811 -7.351 -7.299 325 HB2 LYS 42 1HB LYS 42 7.855 -10.108 -6.534 326 HB3 LYS 42 2HB LYS 42 7.739 -9.395 -8.141 327 HG2 LYS 42 1HG LYS 42 10.129 -9.336 -8.350 328 HG3 LYS 42 2HG LYS 42 10.326 -9.851 -6.678 329 HD2 LYS 42 1HD LYS 42 10.701 -11.720 -8.167 330 HD3 LYS 42 2HD LYS 42 9.243 -11.970 -7.216 331 HE2 LYS 42 1HE LYS 42 7.860 -11.295 -9.092 332 HE3 LYS 42 2HE LYS 42 9.298 -10.949 -10.054 333 HZ1 LYS 42 3HZ LYS 42 8.363 -13.085 -10.607 334 HZ2 LYS 42 1HZ LYS 42 8.491 -13.605 -9.006 335 HZ3 LYS 42 2HZ LYS 42 9.881 -13.297 -9.904 336 H VAL 43 H VAL 43 6.714 -9.021 -4.980 337 HA VAL 43 HA VAL 43 4.712 -6.934 -5.289 338 HB VAL 43 HB VAL 43 2.889 -8.653 -5.264 339 HG11 VAL 43 1HG1 VAL 43 4.736 -8.862 -7.632 340 HG12 VAL 43 2HG1 VAL 43 3.492 -7.637 -7.385 341 HG13 VAL 43 3HG1 VAL 43 3.036 -9.326 -7.621 342 HG21 VAL 43 3HG2 VAL 43 3.393 -10.986 -5.870 343 HG22 VAL 43 1HG2 VAL 43 4.135 -10.538 -4.333 344 HG23 VAL 43 2HG2 VAL 43 5.118 -10.627 -5.795 345 H LEU 44 H LEU 44 3.325 -6.807 -3.443 346 HA LEU 44 HA LEU 44 4.298 -8.294 -1.104 347 HB2 LEU 44 1HB LEU 44 5.106 -5.950 -1.135 348 HB3 LEU 44 2HB LEU 44 3.448 -5.395 -1.216 349 HG LEU 44 HG LEU 44 3.060 -6.464 1.011 350 HD11 LEU 44 1HD1 LEU 44 4.839 -8.089 0.998 351 HD12 LEU 44 2HD1 LEU 44 5.028 -6.997 2.372 352 HD13 LEU 44 3HD1 LEU 44 6.048 -6.806 0.949 353 HD21 LEU 44 3HD2 LEU 44 3.475 -4.074 0.805 354 HD22 LEU 44 1HD2 LEU 44 5.212 -4.362 0.876 355 HD23 LEU 44 2HD2 LEU 44 4.204 -4.712 2.281 356 H SER 45 H SER 45 2.657 -9.253 0.029 357 HA SER 45 HA SER 45 -0.064 -8.488 -0.727 358 HB2 SER 45 1HB SER 45 0.977 -11.135 0.292 359 HB3 SER 45 2HB SER 45 -0.703 -10.786 -0.122 360 HG SER 45 HG SER 45 1.145 -10.154 -2.036 361 H ILE 46 H ILE 46 -0.975 -7.286 0.786 362 HA ILE 46 HA ILE 46 -0.537 -8.046 3.587 363 HB ILE 46 HB ILE 46 -0.896 -5.699 4.241 364 HG12 ILE 46 1HG1 ILE 46 -0.723 -5.048 1.281 365 HG13 ILE 46 2HG1 ILE 46 -2.193 -5.000 2.249 366 HG21 ILE 46 1HG2 ILE 46 1.375 -6.484 4.058 367 HG22 ILE 46 2HG2 ILE 46 1.287 -4.797 3.551 368 HG23 ILE 46 3HG2 ILE 46 1.407 -6.075 2.343 369 HD11 ILE 46 3HD1 ILE 46 0.239 -3.272 2.644 370 HD12 ILE 46 1HD1 ILE 46 -1.235 -3.217 3.613 371 HD13 ILE 46 2HD1 ILE 46 -1.285 -2.776 1.906 372 H ARG 47 H ARG 47 -2.395 -7.136 4.931 373 HA ARG 47 HA ARG 47 -4.895 -7.807 3.553 374 HB2 ARG 47 1HB ARG 47 -4.207 -7.472 6.449 375 HB3 ARG 47 2HB ARG 47 -5.835 -7.715 5.850 376 HG2 ARG 47 1HG ARG 47 -5.110 -9.883 4.923 377 HG3 ARG 47 2HG ARG 47 -3.531 -9.627 5.689 378 HD2 ARG 47 1HD ARG 47 -4.551 -9.440 7.838 379 HD3 ARG 47 2HD ARG 47 -6.151 -9.524 7.106 380 HE ARG 47 HE ARG 47 -4.549 -11.785 6.528 381 HH11 ARG 47 1HH1 ARG 47 -6.693 -10.319 8.938 382 HH12 ARG 47 2HH1 ARG 47 -7.129 -11.812 9.664 383 HH21 ARG 47 1HH2 ARG 47 -5.188 -13.842 7.530 384 HH22 ARG 47 2HH2 ARG 47 -6.255 -13.830 8.842 385 H GLN 48 H GLN 48 -6.795 -6.493 4.317 386 HA GLN 48 HA GLN 48 -6.287 -3.705 3.965 387 HB2 GLN 48 1HB GLN 48 -8.692 -3.348 4.361 388 HB3 GLN 48 2HB GLN 48 -8.462 -4.665 3.227 389 HG2 GLN 48 1HG GLN 48 -8.994 -5.074 6.161 390 HG3 GLN 48 2HG GLN 48 -10.268 -4.972 4.951 391 HE21 GLN 48 2HE2 GLN 48 -10.519 -6.636 3.513 392 HE22 GLN 48 1HE2 GLN 48 -9.838 -8.199 3.767 393 H ASP 49 H ASP 49 -6.491 -5.885 6.565 394 HA ASP 49 HA ASP 49 -6.841 -4.143 8.738 395 HB2 ASP 49 1HB ASP 49 -5.215 -6.703 8.626 396 HB3 ASP 49 2HB ASP 49 -5.694 -5.878 10.099 397 H ASP 50 H ASP 50 -3.993 -5.114 6.904 398 HA ASP 50 HA ASP 50 -2.103 -3.775 8.573 399 HB2 ASP 50 1HB ASP 50 -1.830 -4.557 5.657 400 HB3 ASP 50 2HB ASP 50 -0.511 -4.047 6.695 401 H LEU 51 H LEU 51 -3.872 -3.006 5.664 402 HA LEU 51 HA LEU 51 -2.655 -0.515 5.184 403 HB2 LEU 51 1HB LEU 51 -3.885 -1.801 3.457 404 HB3 LEU 51 2HB LEU 51 -5.382 -1.499 4.298 405 HG LEU 51 HG LEU 51 -3.752 0.796 3.222 406 HD11 LEU 51 1HD1 LEU 51 -5.794 -0.839 1.717 407 HD12 LEU 51 2HD1 LEU 51 -4.069 -0.757 1.363 408 HD13 LEU 51 3HD1 LEU 51 -5.080 0.673 1.160 409 HD21 LEU 51 3HD2 LEU 51 -5.953 1.882 3.067 410 HD22 LEU 51 1HD2 LEU 51 -5.632 1.330 4.712 411 HD23 LEU 51 2HD2 LEU 51 -6.723 0.416 3.672 412 H ARG 52 H ARG 52 -5.324 -1.473 7.168 413 HA ARG 52 HA ARG 52 -6.393 1.023 7.803 414 HB2 ARG 52 1HB ARG 52 -7.391 -1.180 8.388 415 HB3 ARG 52 2HB ARG 52 -6.124 -1.413 9.576 416 HG2 ARG 52 1HG ARG 52 -6.973 0.457 10.875 417 HG3 ARG 52 2HG ARG 52 -8.204 0.766 9.647 418 HD2 ARG 52 1HD ARG 52 -7.926 -1.771 11.257 419 HD3 ARG 52 2HD ARG 52 -9.116 -0.508 11.542 420 HE ARG 52 HE ARG 52 -10.056 -1.020 9.345 421 HH11 ARG 52 1HH1 ARG 52 -8.051 -3.525 10.866 422 HH12 ARG 52 2HH1 ARG 52 -8.685 -4.813 9.968 423 HH21 ARG 52 1HH2 ARG 52 -10.977 -2.789 8.111 424 HH22 ARG 52 2HH2 ARG 52 -10.431 -4.384 8.357 425 H THR 53 H THR 53 -3.660 -0.764 9.176 426 HA THR 53 HA THR 53 -2.992 1.173 11.144 427 HB THR 53 HB THR 53 -1.229 -0.935 9.847 428 HG1 THR 53 HG1 THR 53 -3.362 -1.157 11.419 429 HG21 THR 53 3HG2 THR 53 0.041 0.766 11.114 430 HG22 THR 53 1HG2 THR 53 0.086 -0.797 11.932 431 HG23 THR 53 2HG2 THR 53 -0.981 0.474 12.521 432 H LEU 54 H LEU 54 -1.996 0.587 7.800 433 HA LEU 54 HA LEU 54 0.082 2.429 7.502 434 HB2 LEU 54 1HB LEU 54 -2.046 1.634 5.521 435 HB3 LEU 54 2HB LEU 54 -0.655 2.602 5.103 436 HG LEU 54 HG LEU 54 -0.594 -0.259 6.063 437 HD11 LEU 54 1HD1 LEU 54 0.014 0.961 3.369 438 HD12 LEU 54 2HD1 LEU 54 -1.433 0.040 3.743 439 HD13 LEU 54 3HD1 LEU 54 0.145 -0.744 3.791 440 HD21 LEU 54 3HD2 LEU 54 1.783 -0.116 5.496 441 HD22 LEU 54 1HD2 LEU 54 1.346 0.964 6.817 442 HD23 LEU 54 2HD2 LEU 54 1.591 1.611 5.200 443 H ALA 55 H ALA 55 -3.360 2.889 7.014 444 HA ALA 55 HA ALA 55 -3.344 5.560 6.265 445 HB1 ALA 55 3HB ALA 55 -5.480 4.081 7.785 446 HB2 ALA 55 1HB ALA 55 -5.265 4.067 6.036 447 HB3 ALA 55 2HB ALA 55 -5.697 5.568 6.858 448 H VAL 56 H VAL 56 -3.121 4.130 9.426 449 HA VAL 56 HA VAL 56 -3.683 6.538 10.870 450 HB VAL 56 HB VAL 56 -2.247 4.043 11.841 451 HG11 VAL 56 1HG1 VAL 56 -1.825 5.940 13.293 452 HG12 VAL 56 2HG1 VAL 56 -2.902 4.795 14.095 453 HG13 VAL 56 3HG1 VAL 56 -3.553 6.277 13.392 454 HG21 VAL 56 3HG2 VAL 56 -4.478 3.523 11.043 455 HG22 VAL 56 1HG2 VAL 56 -5.153 4.803 12.049 456 HG23 VAL 56 2HG2 VAL 56 -4.397 3.396 12.799 457 H ILE 57 H ILE 57 -0.803 4.909 9.724 458 HA ILE 57 HA ILE 57 1.146 6.432 11.090 459 HB ILE 57 HB ILE 57 1.490 5.185 8.345 460 HG12 ILE 57 1HG1 ILE 57 1.817 3.905 11.084 461 HG13 ILE 57 2HG1 ILE 57 0.625 3.536 9.833 462 HG21 ILE 57 1HG2 ILE 57 3.863 5.018 8.980 463 HG22 ILE 57 2HG2 ILE 57 3.509 5.846 10.497 464 HG23 ILE 57 3HG2 ILE 57 3.298 6.687 8.961 465 HD11 ILE 57 3HD1 ILE 57 2.349 2.700 8.370 466 HD12 ILE 57 1HD1 ILE 57 2.398 1.862 9.924 467 HD13 ILE 57 2HD1 ILE 57 3.584 3.114 9.560 468 H TYR 58 H TYR 58 -0.278 6.801 7.870 469 HA TYR 58 HA TYR 58 1.276 9.232 7.413 470 HB2 TYR 58 1HB TYR 58 -0.844 8.209 5.532 471 HB3 TYR 58 2HB TYR 58 0.615 9.119 5.156 472 HD1 TYR 58 HD2 TYR 58 2.819 7.647 6.245 473 HD2 TYR 58 HD1 TYR 58 -0.794 6.149 4.599 474 HE1 TYR 58 HE2 TYR 58 3.910 5.445 5.763 475 HE2 TYR 58 HE1 TYR 58 0.305 4.009 4.136 476 HH TYR 58 HH TYR 58 3.337 3.205 5.462 477 H ASP 59 H ASP 59 -1.453 8.470 8.945 478 HA ASP 59 HA ASP 59 -3.245 9.518 9.780 479 HB2 ASP 59 1HB ASP 59 -1.386 11.118 10.478 480 HB3 ASP 59 2HB ASP 59 -1.834 12.108 9.099 481 H GLN 60 H GLN 60 -4.001 8.573 7.714 482 HA GLN 60 HA GLN 60 -5.425 10.592 6.118 483 HB2 GLN 60 1HB GLN 60 -3.944 8.157 5.095 484 HB3 GLN 60 2HB GLN 60 -5.075 9.093 4.134 485 HG2 GLN 60 1HG GLN 60 -2.582 10.235 5.366 486 HG3 GLN 60 2HG GLN 60 -2.666 9.594 3.726 487 HE21 GLN 60 2HE2 GLN 60 -3.709 12.138 5.855 488 HE22 GLN 60 1HE2 GLN 60 -4.255 13.202 4.601 489 H SER 61 H SER 61 -7.285 9.622 5.023 490 HA SER 61 HA SER 61 -8.735 7.808 6.668 491 HB2 SER 61 1HB SER 61 -9.922 9.585 5.550 492 HB3 SER 61 2HB SER 61 -9.287 9.089 3.984 493 HG SER 61 HG SER 61 -11.515 8.308 5.147 494 HA PRO 62 HA PRO 62 -7.146 4.021 4.814 495 HB2 PRO 62 1HB PRO 62 -9.896 3.045 5.439 496 HB3 PRO 62 2HB PRO 62 -8.335 2.329 5.852 497 HG2 PRO 62 1HG PRO 62 -9.774 3.582 7.704 498 HG3 PRO 62 2HG PRO 62 -8.010 3.748 7.649 499 HD2 PRO 62 1HD PRO 62 -10.121 5.686 6.803 500 HD3 PRO 62 2HD PRO 62 -8.546 5.979 7.570 501 H SER 63 H SER 63 -10.391 5.224 4.076 502 HA SER 63 HA SER 63 -10.884 3.770 1.755 503 HB2 SER 63 1HB SER 63 -11.835 6.551 2.442 504 HB3 SER 63 2HB SER 63 -12.659 5.348 1.443 505 HG SER 63 HG SER 63 -13.282 4.289 3.162 506 H VAL 64 H VAL 64 -9.543 7.032 2.251 507 HA VAL 64 HA VAL 64 -9.136 7.606 -0.510 508 HB VAL 64 HB VAL 64 -7.817 8.889 1.910 509 HG11 VAL 64 1HG1 VAL 64 -6.669 9.442 -0.164 510 HG12 VAL 64 2HG1 VAL 64 -7.525 10.851 0.467 511 HG13 VAL 64 3HG1 VAL 64 -8.195 9.947 -0.889 512 HG21 VAL 64 3HG2 VAL 64 -10.338 9.670 0.461 513 HG22 VAL 64 1HG2 VAL 64 -9.589 10.577 1.772 514 HG23 VAL 64 2HG2 VAL 64 -10.254 8.966 2.072 515 H LEU 65 H LEU 65 -7.220 6.318 2.036 516 HA LEU 65 HA LEU 65 -4.660 6.362 0.876 517 HB2 LEU 65 1HB LEU 65 -5.341 5.893 3.312 518 HB3 LEU 65 2HB LEU 65 -5.697 4.268 2.803 519 HG LEU 65 HG LEU 65 -3.553 4.475 3.997 520 HD11 LEU 65 1HD1 LEU 65 -3.170 3.666 1.138 521 HD12 LEU 65 2HD1 LEU 65 -3.801 2.654 2.432 522 HD13 LEU 65 3HD1 LEU 65 -2.130 3.222 2.494 523 HD21 LEU 65 3HD2 LEU 65 -2.884 6.682 3.363 524 HD22 LEU 65 1HD2 LEU 65 -2.725 6.191 1.671 525 HD23 LEU 65 2HD2 LEU 65 -1.636 5.528 2.877 526 H THR 66 H THR 66 -7.095 3.766 0.992 527 HA THR 66 HA THR 66 -5.780 1.888 -0.619 528 HB THR 66 HB THR 66 -8.776 2.359 -0.436 529 HG1 THR 66 HG1 THR 66 -8.000 2.115 1.652 530 HG21 THR 66 3HG2 THR 66 -7.185 -0.156 -0.992 531 HG22 THR 66 1HG2 THR 66 -8.107 0.764 -2.183 532 HG23 THR 66 2HG2 THR 66 -8.941 -0.057 -0.861 533 H GLU 67 H GLU 67 -7.960 4.526 -1.347 534 HA GLU 67 HA GLU 67 -8.381 4.050 -4.055 535 HB2 GLU 67 1HB GLU 67 -9.815 5.452 -2.695 536 HB3 GLU 67 2HB GLU 67 -8.506 6.589 -2.442 537 HG2 GLU 67 1HG GLU 67 -8.522 7.229 -4.679 538 HG3 GLU 67 2HG GLU 67 -9.683 5.959 -5.123 539 H GLN 68 H GLN 68 -5.967 6.060 -2.388 540 HA GLN 68 HA GLN 68 -4.769 7.129 -4.660 541 HB2 GLN 68 1HB GLN 68 -3.726 6.552 -1.922 542 HB3 GLN 68 2HB GLN 68 -2.769 7.396 -3.141 543 HG2 GLN 68 1HG GLN 68 -4.575 9.111 -3.240 544 HG3 GLN 68 2HG GLN 68 -5.396 8.265 -1.934 545 HE21 GLN 68 2HE2 GLN 68 -1.918 8.694 -2.155 546 HE22 GLN 68 1HE2 GLN 68 -1.785 9.756 -0.807 547 H LEU 69 H LEU 69 -3.835 4.271 -2.754 548 HA LEU 69 HA LEU 69 -1.688 3.468 -4.340 549 HB2 LEU 69 1HB LEU 69 -3.534 1.979 -2.519 550 HB3 LEU 69 2HB LEU 69 -2.416 1.077 -3.511 551 HG LEU 69 HG LEU 69 -1.621 1.410 -1.206 552 HD11 LEU 69 1HD1 LEU 69 -0.009 1.065 -2.985 553 HD12 LEU 69 2HD1 LEU 69 0.641 2.137 -1.745 554 HD13 LEU 69 3HD1 LEU 69 0.065 2.804 -3.272 555 HD21 LEU 69 3HD2 LEU 69 -2.582 3.635 -0.808 556 HD22 LEU 69 1HD2 LEU 69 -1.419 4.330 -1.927 557 HD23 LEU 69 2HD2 LEU 69 -0.859 3.584 -0.425 558 H ILE 70 H ILE 70 -5.107 2.729 -4.725 559 HA ILE 70 HA ILE 70 -4.805 1.017 -6.954 560 HB ILE 70 HB ILE 70 -7.168 2.735 -6.126 561 HG12 ILE 70 1HG1 ILE 70 -6.656 -0.226 -5.768 562 HG13 ILE 70 2HG1 ILE 70 -6.477 0.994 -4.514 563 HG21 ILE 70 1HG2 ILE 70 -7.085 0.490 -8.144 564 HG22 ILE 70 2HG2 ILE 70 -7.282 2.201 -8.509 565 HG23 ILE 70 3HG2 ILE 70 -8.533 1.348 -7.605 566 HD11 ILE 70 3HD1 ILE 70 -8.564 -0.232 -4.297 567 HD12 ILE 70 1HD1 ILE 70 -9.045 0.276 -5.914 568 HD13 ILE 70 2HD1 ILE 70 -8.859 1.472 -4.632 569 H SER 71 H SER 71 -5.425 4.495 -6.703 570 HA SER 71 HA SER 71 -5.651 4.971 -9.465 571 HB2 SER 71 1HB SER 71 -4.899 6.912 -7.272 572 HB3 SER 71 2HB SER 71 -5.509 7.332 -8.875 573 HG SER 71 HG SER 71 -6.832 6.041 -6.745 574 H TRP 72 H TRP 72 -2.823 4.912 -7.337 575 HA TRP 72 HA TRP 72 -1.022 6.038 -9.258 576 HB2 TRP 72 1HB TRP 72 -0.411 4.221 -6.923 577 HB3 TRP 72 2HB TRP 72 0.784 5.094 -7.857 578 HD1 TRP 72 HD1 TRP 72 -1.199 7.873 -7.699 579 HE1 TRP 72 HE1 TRP 72 -0.997 9.216 -5.495 580 HE3 TRP 72 HE3 TRP 72 0.851 4.276 -4.748 581 HZ2 TRP 72 HZ2 TRP 72 -0.068 8.798 -2.875 582 HZ3 TRP 72 HZ3 TRP 72 1.385 4.820 -2.395 583 HH2 TRP 72 HH2 TRP 72 0.929 7.038 -1.487 584 H GLY 73 H GLY 73 -2.505 3.009 -8.958 585 HA2 GLY 73 1HA GLY 73 -2.446 1.297 -10.541 586 HA3 GLY 73 2HA GLY 73 -0.966 1.984 -11.206 587 H VAL 74 H VAL 74 -1.146 1.594 -7.839 588 HA VAL 74 HA VAL 74 0.897 -0.515 -7.938 589 HB VAL 74 HB VAL 74 -0.161 1.058 -5.562 590 HG11 VAL 74 1HG1 VAL 74 1.859 0.281 -4.404 591 HG12 VAL 74 2HG1 VAL 74 2.286 -0.684 -5.818 592 HG13 VAL 74 3HG1 VAL 74 0.826 -1.059 -4.905 593 HG21 VAL 74 3HG2 VAL 74 1.899 2.368 -5.690 594 HG22 VAL 74 1HG2 VAL 74 0.940 2.541 -7.158 595 HG23 VAL 74 2HG2 VAL 74 2.365 1.500 -7.152 596 H LEU 75 H LEU 75 -2.267 0.168 -6.556 597 HA LEU 75 HA LEU 75 -2.508 -2.663 -5.867 598 HB2 LEU 75 1HB LEU 75 -2.819 -1.049 -4.027 599 HB3 LEU 75 2HB LEU 75 -4.096 -0.265 -4.928 600 HG LEU 75 HG LEU 75 -5.479 -2.301 -4.717 601 HD11 LEU 75 1HD1 LEU 75 -3.702 -3.965 -4.581 602 HD12 LEU 75 2HD1 LEU 75 -4.801 -4.089 -3.210 603 HD13 LEU 75 3HD1 LEU 75 -3.224 -3.331 -3.005 604 HD21 LEU 75 3HD2 LEU 75 -5.688 -0.525 -3.064 605 HD22 LEU 75 1HD2 LEU 75 -4.401 -1.254 -2.103 606 HD23 LEU 75 2HD2 LEU 75 -5.929 -2.105 -2.322 607 H ASP 76 H ASP 76 -4.426 -3.735 -6.458 608 HA ASP 76 HA ASP 76 -5.412 -3.011 -9.066 609 HB2 ASP 76 1HB ASP 76 -4.896 -5.368 -8.409 610 HB3 ASP 76 2HB ASP 76 -6.215 -5.304 -7.252 611 H ALA 77 H ALA 77 -7.596 -2.572 -9.570 612 HA ALA 77 HA ALA 77 -8.842 -0.774 -7.847 613 HB1 ALA 77 3HB ALA 77 -10.639 -0.667 -9.457 614 HB2 ALA 77 1HB ALA 77 -10.081 -2.159 -10.206 615 HB3 ALA 77 2HB ALA 77 -9.081 -0.709 -10.284 616 H ASP 78 H ASP 78 -9.844 -4.071 -8.658 617 HA ASP 78 HA ASP 78 -12.243 -4.109 -7.216 618 HB2 ASP 78 1HB ASP 78 -10.434 -6.287 -8.136 619 HB3 ASP 78 2HB ASP 78 -11.791 -6.668 -7.081 620 H ALA 79 H ALA 79 -9.081 -4.281 -6.013 621 HA ALA 79 HA ALA 79 -9.479 -5.690 -3.630 622 HB1 ALA 79 3HB ALA 79 -7.416 -4.673 -2.876 623 HB2 ALA 79 1HB ALA 79 -7.519 -3.463 -4.158 624 HB3 ALA 79 2HB ALA 79 -7.273 -5.162 -4.564 625 H ARG 80 H ARG 80 -10.366 -2.496 -4.554 626 HA ARG 80 HA ARG 80 -10.571 -1.140 -2.132 627 HB2 ARG 80 1HB ARG 80 -12.262 0.276 -3.220 628 HB3 ARG 80 2HB ARG 80 -10.903 -0.032 -4.288 629 HG2 ARG 80 1HG ARG 80 -12.286 -1.846 -5.354 630 HG3 ARG 80 2HG ARG 80 -13.650 -1.261 -4.408 631 HD2 ARG 80 1HD ARG 80 -12.031 0.403 -6.305 632 HD3 ARG 80 2HD ARG 80 -13.536 -0.381 -6.753 633 HE ARG 80 HE ARG 80 -13.525 1.447 -4.468 634 HH11 ARG 80 1HH1 ARG 80 -14.419 0.964 -7.864 635 HH12 ARG 80 2HH1 ARG 80 -15.520 2.270 -7.891 636 HH21 ARG 80 1HH2 ARG 80 -14.988 3.262 -4.556 637 HH22 ARG 80 2HH2 ARG 80 -15.835 3.599 -5.985 638 H ARG 81 H ARG 81 -12.658 -3.632 -3.429 639 HA ARG 81 HA ARG 81 -14.829 -3.019 -1.635 640 HB2 ARG 81 1HB ARG 81 -14.460 -5.507 -3.298 641 HB3 ARG 81 2HB ARG 81 -15.951 -4.960 -2.541 642 HG2 ARG 81 1HG ARG 81 -15.863 -2.937 -3.981 643 HG3 ARG 81 2HG ARG 81 -14.479 -3.650 -4.814 644 HD2 ARG 81 1HD ARG 81 -16.344 -4.221 -6.138 645 HD3 ARG 81 2HD ARG 81 -15.955 -5.658 -5.190 646 HE ARG 81 HE ARG 81 -17.940 -3.919 -4.033 647 HH11 ARG 81 1HH1 ARG 81 -17.397 -6.813 -6.014 648 HH12 ARG 81 2HH1 ARG 81 -19.008 -7.345 -5.880 649 HH21 ARG 81 1HH2 ARG 81 -20.099 -4.658 -3.862 650 HH22 ARG 81 2HH2 ARG 81 -20.579 -6.102 -4.619 651 H ALA 82 H ALA 82 -11.929 -4.736 -1.401 652 HA ALA 82 HA ALA 82 -12.824 -6.547 0.649 653 HB1 ALA 82 3HB ALA 82 -10.027 -5.804 -0.227 654 HB2 ALA 82 1HB ALA 82 -10.965 -7.170 -0.830 655 HB3 ALA 82 2HB ALA 82 -10.448 -7.130 0.856 656 H VAL 83 H VAL 83 -11.961 -3.345 0.383 657 HA VAL 83 HA VAL 83 -11.311 -3.067 3.224 658 HB VAL 83 HB VAL 83 -11.261 -0.951 1.038 659 HG11 VAL 83 1HG1 VAL 83 -9.961 0.384 2.639 660 HG12 VAL 83 2HG1 VAL 83 -10.169 -0.879 3.852 661 HG13 VAL 83 3HG1 VAL 83 -11.572 0.006 3.253 662 HG21 VAL 83 3HG2 VAL 83 -8.804 -1.166 1.124 663 HG22 VAL 83 1HG2 VAL 83 -9.581 -2.659 0.598 664 HG23 VAL 83 2HG2 VAL 83 -8.974 -2.512 2.246 665 H ALA 84 H ALA 84 -13.538 -1.834 0.716 666 HA ALA 84 HA ALA 84 -15.616 -1.569 2.722 667 HB1 ALA 84 3HB ALA 84 -14.827 0.670 0.852 668 HB2 ALA 84 1HB ALA 84 -14.584 0.656 2.599 669 HB3 ALA 84 2HB ALA 84 -16.218 0.674 1.937 670 H SER 85 H SER 85 -17.371 -2.568 1.937 671 HA SER 85 HA SER 85 -17.704 -2.663 -0.965 672 HB2 SER 85 1HB SER 85 -17.165 -4.875 0.083 673 HB3 SER 85 2HB SER 85 -18.605 -4.722 1.080 674 HG SER 85 HG SER 85 -19.471 -5.743 -0.489 675 H HIS 86 H HIS 86 -20.144 -3.262 -1.358 676 HA HIS 86 HA HIS 86 -22.229 -2.588 -1.501 677 HB2 HIS 86 1HB HIS 86 -21.975 -2.053 1.459 678 HB3 HIS 86 2HB HIS 86 -23.476 -1.810 0.574 679 HD1 HIS 86 HD1 HIS 86 -24.893 -3.880 0.103 680 HD2 HIS 86 HD2 HIS 86 -21.132 -4.770 1.628 681 HE1 HIS 86 HE1 HIS 86 -24.923 -6.340 0.650 682 H ASP 87 H ASP 87 -21.828 -1.142 -2.940 683 HA ASP 87 HA ASP 87 -21.326 1.631 -2.224 684 HB2 ASP 87 1HB ASP 87 -21.141 1.928 -4.673 685 HB3 ASP 87 2HB ASP 87 -20.053 0.682 -4.046 686 H GLU 88 H GLU 88 -22.559 3.189 -3.701 687 HA GLU 88 HA GLU 88 -25.390 2.776 -3.142 688 HB2 GLU 88 1HB GLU 88 -25.571 5.222 -3.444 689 HB3 GLU 88 2HB GLU 88 -24.434 4.765 -2.185 690 HG2 GLU 88 1HG GLU 88 -22.589 5.133 -3.789 691 HG3 GLU 88 2HG GLU 88 -23.773 5.677 -4.976 692 H LEU 89 H LEU 89 -23.680 1.937 -5.744 693 HA LEU 89 HA LEU 89 -25.525 3.205 -7.624 694 HB2 LEU 89 1HB LEU 89 -22.878 1.813 -8.142 695 HB3 LEU 89 2HB LEU 89 -23.946 2.378 -9.402 696 HG LEU 89 HG LEU 89 -22.220 3.938 -9.285 697 HD11 LEU 89 1HD1 LEU 89 -24.372 4.976 -9.491 698 HD12 LEU 89 2HD1 LEU 89 -23.249 6.016 -8.628 699 HD13 LEU 89 3HD1 LEU 89 -24.492 5.138 -7.738 700 HD21 LEU 89 3HD2 LEU 89 -21.464 5.073 -7.227 701 HD22 LEU 89 1HD2 LEU 89 -21.213 3.328 -7.157 702 HD23 LEU 89 2HD2 LEU 89 -22.559 4.057 -6.286 Start of MODEL 4 1 H1 MET 1 1H MET 1 -13.007 -14.107 -6.786 2 H2 MET 1 2H MET 1 -11.888 -14.229 -5.540 3 H3 MET 1 3H MET 1 -12.800 -12.829 -5.746 4 HA MET 1 HA MET 1 -14.812 -13.816 -5.165 5 HB2 MET 1 1HB MET 1 -15.010 -16.172 -4.542 6 HB3 MET 1 2HB MET 1 -14.439 -16.018 -6.193 7 HG2 MET 1 1HG MET 1 -12.192 -16.561 -5.527 8 HG3 MET 1 2HG MET 1 -12.651 -16.563 -3.828 9 HE1 MET 1 3HE MET 1 -14.048 -18.445 -2.665 10 HE2 MET 1 1HE MET 1 -14.842 -19.766 -3.520 11 HE3 MET 1 2HE MET 1 -15.400 -18.110 -3.745 12 H GLU 2 H GLU 2 -12.362 -12.601 -3.820 13 HA GLU 2 HA GLU 2 -12.177 -13.930 -1.249 14 HB2 GLU 2 1HB GLU 2 -11.047 -11.273 -2.101 15 HB3 GLU 2 2HB GLU 2 -10.558 -12.247 -0.730 16 HG2 GLU 2 1HG GLU 2 -10.174 -12.924 -3.621 17 HG3 GLU 2 2HG GLU 2 -8.934 -12.295 -2.544 18 HA PRO 3 HA PRO 3 -15.397 -11.030 0.240 19 HB2 PRO 3 1HB PRO 3 -15.098 -12.540 2.790 20 HB3 PRO 3 2HB PRO 3 -16.547 -12.197 1.860 21 HG2 PRO 3 1HG PRO 3 -15.454 -14.673 1.907 22 HG3 PRO 3 2HG PRO 3 -16.328 -14.031 0.508 23 HD2 PRO 3 1HD PRO 3 -13.378 -14.316 0.936 24 HD3 PRO 3 2HD PRO 3 -14.329 -14.539 -0.545 25 HA PRO 4 HA PRO 4 -11.939 -9.284 2.940 26 HB2 PRO 4 1HB PRO 4 -9.986 -11.158 3.871 27 HB3 PRO 4 2HB PRO 4 -11.217 -10.359 4.852 28 HG2 PRO 4 1HG PRO 4 -11.143 -13.077 4.367 29 HG3 PRO 4 2HG PRO 4 -12.601 -12.171 4.809 30 HD2 PRO 4 1HD PRO 4 -11.637 -12.998 2.096 31 HD3 PRO 4 2HD PRO 4 -13.274 -13.111 2.777 32 HA PRO 5 HA PRO 5 -9.792 -9.784 -1.053 33 HB2 PRO 5 1HB PRO 5 -9.084 -6.966 -0.587 34 HB3 PRO 5 2HB PRO 5 -9.922 -7.704 -1.957 35 HG2 PRO 5 1HG PRO 5 -11.206 -6.185 -0.164 36 HG3 PRO 5 2HG PRO 5 -11.971 -7.588 -0.929 37 HD2 PRO 5 1HD PRO 5 -10.828 -7.309 1.814 38 HD3 PRO 5 2HD PRO 5 -12.281 -8.176 1.265 39 H LYS 6 H LYS 6 -7.837 -10.435 -1.414 40 HA LYS 6 HA LYS 6 -5.699 -9.962 0.477 41 HB2 LYS 6 1HB LYS 6 -5.649 -11.355 -2.213 42 HB3 LYS 6 2HB LYS 6 -4.429 -11.473 -0.957 43 HG2 LYS 6 1HG LYS 6 -7.252 -12.514 -0.761 44 HG3 LYS 6 2HG LYS 6 -5.812 -13.479 -1.092 45 HD2 LYS 6 1HD LYS 6 -4.898 -12.880 1.080 46 HD3 LYS 6 2HD LYS 6 -6.302 -11.860 1.399 47 HE2 LYS 6 1HE LYS 6 -6.373 -14.834 0.939 48 HE3 LYS 6 2HE LYS 6 -6.443 -14.064 2.516 49 HZ1 LYS 6 3HZ LYS 6 -8.652 -14.548 1.914 50 HZ2 LYS 6 1HZ LYS 6 -8.466 -13.967 0.341 51 HZ3 LYS 6 2HZ LYS 6 -8.506 -12.895 1.651 52 H LEU 7 H LEU 7 -4.900 -7.943 0.310 53 HA LEU 7 HA LEU 7 -5.068 -6.562 -2.197 54 HB2 LEU 7 1HB LEU 7 -3.848 -5.671 0.414 55 HB3 LEU 7 2HB LEU 7 -4.205 -4.645 -0.960 56 HG LEU 7 HG LEU 7 -6.221 -6.037 0.804 57 HD11 LEU 7 1HD1 LEU 7 -5.208 -4.122 1.860 58 HD12 LEU 7 2HD1 LEU 7 -6.886 -3.783 1.430 59 HD13 LEU 7 3HD1 LEU 7 -5.575 -3.124 0.450 60 HD21 LEU 7 3HD2 LEU 7 -7.940 -4.849 -0.497 61 HD22 LEU 7 1HD2 LEU 7 -7.038 -5.980 -1.499 62 HD23 LEU 7 2HD2 LEU 7 -6.696 -4.254 -1.594 63 H VAL 8 H VAL 8 -3.661 -6.953 -3.690 64 HA VAL 8 HA VAL 8 -0.933 -7.659 -2.913 65 HB VAL 8 HB VAL 8 -2.287 -8.039 -5.604 66 HG11 VAL 8 1HG1 VAL 8 -0.363 -9.468 -6.142 67 HG12 VAL 8 2HG1 VAL 8 0.359 -9.075 -4.582 68 HG13 VAL 8 3HG1 VAL 8 0.141 -7.813 -5.792 69 HG21 VAL 8 3HG2 VAL 8 -2.349 -10.437 -5.042 70 HG22 VAL 8 1HG2 VAL 8 -3.306 -9.481 -3.910 71 HG23 VAL 8 2HG2 VAL 8 -1.716 -10.071 -3.436 72 H LEU 9 H LEU 9 0.429 -6.076 -2.960 73 HA LEU 9 HA LEU 9 -0.020 -3.782 -4.721 74 HB2 LEU 9 1HB LEU 9 1.724 -4.122 -2.270 75 HB3 LEU 9 2HB LEU 9 1.763 -2.707 -3.287 76 HG LEU 9 HG LEU 9 -0.628 -2.260 -2.633 77 HD11 LEU 9 1HD1 LEU 9 -1.300 -4.508 -1.967 78 HD12 LEU 9 2HD1 LEU 9 -1.537 -3.356 -0.653 79 HD13 LEU 9 3HD1 LEU 9 -0.159 -4.456 -0.625 80 HD21 LEU 9 3HD2 LEU 9 -0.072 -1.427 -0.407 81 HD22 LEU 9 1HD2 LEU 9 1.215 -1.107 -1.567 82 HD23 LEU 9 2HD2 LEU 9 1.384 -2.420 -0.401 83 H ASP 10 H ASP 10 1.241 -3.616 -6.465 84 HA ASP 10 HA ASP 10 3.506 -5.373 -6.829 85 HB2 ASP 10 1HB ASP 10 2.502 -3.089 -8.551 86 HB3 ASP 10 2HB ASP 10 3.843 -4.138 -8.989 87 H LEU 11 H LEU 11 5.342 -4.992 -5.865 88 HA LEU 11 HA LEU 11 5.915 -2.499 -4.647 89 HB2 LEU 11 1HB LEU 11 7.672 -4.915 -5.039 90 HB3 LEU 11 2HB LEU 11 8.103 -3.522 -4.068 91 HG LEU 11 HG LEU 11 5.820 -5.425 -3.525 92 HD11 LEU 11 1HD1 LEU 11 7.152 -6.064 -1.564 93 HD12 LEU 11 2HD1 LEU 11 8.458 -5.021 -2.128 94 HD13 LEU 11 3HD1 LEU 11 7.969 -6.421 -3.082 95 HD21 LEU 11 3HD2 LEU 11 5.234 -3.183 -2.784 96 HD22 LEU 11 1HD2 LEU 11 6.792 -3.024 -1.970 97 HD23 LEU 11 2HD2 LEU 11 5.612 -4.194 -1.394 98 H GLU 12 H GLU 12 6.933 -4.004 -7.608 99 HA GLU 12 HA GLU 12 8.991 -2.128 -8.163 100 HB2 GLU 12 1HB GLU 12 7.433 -3.808 -10.130 101 HB3 GLU 12 2HB GLU 12 8.991 -3.044 -10.424 102 HG2 GLU 12 1HG GLU 12 9.952 -4.431 -8.603 103 HG3 GLU 12 2HG GLU 12 8.405 -5.256 -8.477 104 H ARG 13 H ARG 13 5.566 -2.185 -8.733 105 HA ARG 13 HA ARG 13 5.573 0.159 -10.381 106 HB2 ARG 13 1HB ARG 13 3.714 -1.455 -10.520 107 HB3 ARG 13 2HB ARG 13 3.317 -1.145 -8.837 108 HG2 ARG 13 1HG ARG 13 1.766 -0.002 -10.309 109 HG3 ARG 13 2HG ARG 13 2.726 1.158 -9.393 110 HD2 ARG 13 1HD ARG 13 4.187 1.471 -11.345 111 HD3 ARG 13 2HD ARG 13 3.191 0.332 -12.257 112 HE ARG 13 HE ARG 13 1.543 2.334 -11.218 113 HH11 ARG 13 1HH1 ARG 13 4.135 2.077 -13.634 114 HH12 ARG 13 2HH1 ARG 13 3.486 3.297 -14.618 115 HH21 ARG 13 1HH2 ARG 13 0.676 3.962 -12.594 116 HH22 ARG 13 2HH2 ARG 13 1.470 4.387 -14.036 117 H LEU 14 H LEU 14 5.229 -0.598 -6.997 118 HA LEU 14 HA LEU 14 4.532 1.944 -6.028 119 HB2 LEU 14 1HB LEU 14 4.341 -0.140 -4.736 120 HB3 LEU 14 2HB LEU 14 6.086 -0.266 -4.694 121 HG LEU 14 HG LEU 14 6.172 1.828 -3.375 122 HD11 LEU 14 1HD1 LEU 14 4.094 2.834 -4.115 123 HD12 LEU 14 2HD1 LEU 14 4.126 2.668 -2.361 124 HD13 LEU 14 3HD1 LEU 14 3.175 1.546 -3.331 125 HD21 LEU 14 3HD2 LEU 14 6.219 -0.363 -2.289 126 HD22 LEU 14 1HD2 LEU 14 4.459 -0.358 -2.190 127 HD23 LEU 14 2HD2 LEU 14 5.404 0.835 -1.291 128 H ALA 15 H ALA 15 7.576 0.517 -6.932 129 HA ALA 15 HA ALA 15 9.269 2.514 -5.816 130 HB1 ALA 15 3HB ALA 15 11.040 1.454 -7.105 131 HB2 ALA 15 1HB ALA 15 9.847 0.556 -8.041 132 HB3 ALA 15 2HB ALA 15 10.044 0.228 -6.321 133 H THR 16 H THR 16 7.081 2.807 -8.213 134 HA THR 16 HA THR 16 8.678 4.742 -9.728 135 HB THR 16 HB THR 16 5.993 3.503 -10.472 136 HG1 THR 16 HG1 THR 16 7.505 1.840 -10.401 137 HG21 THR 16 3HG2 THR 16 6.574 5.601 -11.678 138 HG22 THR 16 1HG2 THR 16 6.594 4.210 -12.762 139 HG23 THR 16 2HG2 THR 16 8.108 4.885 -12.166 140 H VAL 17 H VAL 17 6.874 4.655 -7.079 141 HA VAL 17 HA VAL 17 5.432 7.132 -7.636 142 HB VAL 17 HB VAL 17 5.103 5.272 -5.256 143 HG11 VAL 17 1HG1 VAL 17 3.384 7.561 -6.219 144 HG12 VAL 17 2HG1 VAL 17 4.414 7.560 -4.786 145 HG13 VAL 17 3HG1 VAL 17 3.008 6.497 -4.861 146 HG21 VAL 17 3HG2 VAL 17 3.018 4.509 -6.305 147 HG22 VAL 17 1HG2 VAL 17 4.426 4.122 -7.296 148 HG23 VAL 17 2HG2 VAL 17 3.387 5.478 -7.730 149 HA PRO 18 HA PRO 18 8.802 9.076 -5.499 150 HB2 PRO 18 1HB PRO 18 7.616 11.505 -5.076 151 HB3 PRO 18 2HB PRO 18 8.309 11.004 -6.621 152 HG2 PRO 18 1HG PRO 18 5.460 10.946 -5.719 153 HG3 PRO 18 2HG PRO 18 6.132 11.467 -7.277 154 HD2 PRO 18 1HD PRO 18 5.002 9.065 -6.978 155 HD3 PRO 18 2HD PRO 18 6.421 9.301 -8.023 156 H ALA 19 H ALA 19 9.368 10.028 -3.481 157 HA ALA 19 HA ALA 19 8.432 8.529 -1.329 158 HB1 ALA 19 3HB ALA 19 10.725 9.315 -1.537 159 HB2 ALA 19 1HB ALA 19 10.012 9.731 0.022 160 HB3 ALA 19 2HB ALA 19 10.180 10.966 -1.227 161 H GLU 20 H GLU 20 7.476 11.745 -2.314 162 HA GLU 20 HA GLU 20 6.379 12.535 0.130 163 HB2 GLU 20 1HB GLU 20 4.866 14.035 -1.317 164 HB3 GLU 20 2HB GLU 20 6.598 14.297 -1.377 165 HG2 GLU 20 1HG GLU 20 5.349 12.523 -3.411 166 HG3 GLU 20 2HG GLU 20 5.132 14.265 -3.553 167 H LYS 21 H LYS 21 5.227 10.248 -2.126 168 HA LYS 21 HA LYS 21 2.746 10.144 -0.574 169 HB2 LYS 21 1HB LYS 21 3.144 9.365 -3.458 170 HB3 LYS 21 2HB LYS 21 1.689 9.023 -2.539 171 HG2 LYS 21 1HG LYS 21 1.363 11.448 -2.201 172 HG3 LYS 21 2HG LYS 21 2.791 11.747 -3.196 173 HD2 LYS 21 1HD LYS 21 1.677 10.581 -5.074 174 HD3 LYS 21 2HD LYS 21 0.247 10.378 -4.068 175 HE2 LYS 21 1HE LYS 21 -0.020 12.785 -3.880 176 HE3 LYS 21 2HE LYS 21 1.462 13.041 -4.791 177 HZ1 LYS 21 3HZ LYS 21 -1.040 11.813 -5.828 178 HZ2 LYS 21 1HZ LYS 21 0.386 11.990 -6.712 179 HZ3 LYS 21 2HZ LYS 21 -0.459 13.342 -6.195 180 H ALA 22 H ALA 22 5.261 8.164 -2.114 181 HA ALA 22 HA ALA 22 4.102 5.841 -0.757 182 HB1 ALA 22 3HB ALA 22 6.160 5.918 -2.939 183 HB2 ALA 22 1HB ALA 22 4.432 5.646 -3.154 184 HB3 ALA 22 2HB ALA 22 5.403 4.479 -2.258 185 H GLY 23 H GLY 23 6.366 8.061 -0.003 186 HA2 GLY 23 1HA GLY 23 8.782 6.818 0.480 187 HA3 GLY 23 2HA GLY 23 8.151 8.128 1.448 188 HA PRO 24 HA PRO 24 7.741 5.516 4.986 189 HB2 PRO 24 1HB PRO 24 4.810 5.816 5.194 190 HB3 PRO 24 2HB PRO 24 6.064 6.303 6.338 191 HG2 PRO 24 1HG PRO 24 4.711 8.109 4.901 192 HG3 PRO 24 2HG PRO 24 6.427 8.320 5.283 193 HD2 PRO 24 1HD PRO 24 5.151 7.423 2.730 194 HD3 PRO 24 2HD PRO 24 6.541 8.501 2.978 195 H LEU 25 H LEU 25 5.434 4.941 2.476 196 HA LEU 25 HA LEU 25 4.541 2.388 3.356 197 HB2 LEU 25 1HB LEU 25 3.139 3.723 1.931 198 HB3 LEU 25 2HB LEU 25 4.371 3.790 0.697 199 HG LEU 25 HG LEU 25 4.024 1.421 0.189 200 HD11 LEU 25 1HD1 LEU 25 2.187 0.176 1.204 201 HD12 LEU 25 2HD1 LEU 25 1.878 1.518 2.303 202 HD13 LEU 25 3HD1 LEU 25 3.396 0.617 2.408 203 HD21 LEU 25 3HD2 LEU 25 1.838 1.602 -0.769 204 HD22 LEU 25 1HD2 LEU 25 2.688 3.135 -0.928 205 HD23 LEU 25 2HD2 LEU 25 1.435 2.945 0.305 206 H GLN 26 H GLN 26 6.961 3.473 1.013 207 HA GLN 26 HA GLN 26 7.732 0.904 0.148 208 HB2 GLN 26 1HB GLN 26 9.344 3.458 0.240 209 HB3 GLN 26 2HB GLN 26 9.813 2.007 -0.633 210 HG2 GLN 26 1HG GLN 26 7.873 2.219 -2.069 211 HG3 GLN 26 2HG GLN 26 7.340 3.632 -1.162 212 HE21 GLN 26 2HE2 GLN 26 7.944 3.433 -3.987 213 HE22 GLN 26 1HE2 GLN 26 9.210 4.551 -4.276 214 H ARG 27 H ARG 27 8.860 2.993 2.750 215 HA ARG 27 HA ARG 27 10.945 1.294 3.611 216 HB2 ARG 27 1HB ARG 27 9.329 3.315 5.094 217 HB3 ARG 27 2HB ARG 27 10.612 2.397 5.855 218 HG2 ARG 27 1HG ARG 27 12.177 3.340 4.145 219 HG3 ARG 27 2HG ARG 27 10.855 4.388 3.613 220 HD2 ARG 27 1HD ARG 27 11.892 4.234 6.431 221 HD3 ARG 27 2HD ARG 27 12.379 5.463 5.271 222 HE ARG 27 HE ARG 27 10.216 6.351 5.327 223 HH11 ARG 27 1HH1 ARG 27 10.596 3.753 7.776 224 HH12 ARG 27 2HH1 ARG 27 9.325 4.315 8.737 225 HH21 ARG 27 1HH2 ARG 27 8.511 7.096 6.685 226 HH22 ARG 27 2HH2 ARG 27 8.068 6.221 8.090 227 H TYR 28 H TYR 28 7.554 1.532 4.596 228 HA TYR 28 HA TYR 28 7.679 -0.390 6.622 229 HB2 TYR 28 1HB TYR 28 5.773 1.206 6.239 230 HB3 TYR 28 2HB TYR 28 5.276 0.210 4.878 231 HD1 TYR 28 HD2 TYR 28 5.648 0.327 8.530 232 HD2 TYR 28 HD1 TYR 28 4.107 -1.878 5.238 233 HE1 TYR 28 HE2 TYR 28 4.381 -1.083 10.079 234 HE2 TYR 28 HE1 TYR 28 2.840 -3.308 6.792 235 HH TYR 28 HH TYR 28 2.825 -3.980 9.062 236 H ALA 29 H ALA 29 6.926 -0.688 3.185 237 HA ALA 29 HA ALA 29 6.411 -3.425 3.091 238 HB1 ALA 29 3HB ALA 29 6.961 -3.273 0.706 239 HB2 ALA 29 1HB ALA 29 7.711 -1.701 0.978 240 HB3 ALA 29 2HB ALA 29 5.976 -1.902 1.217 241 H ALA 30 H ALA 30 9.461 -1.665 2.721 242 HA ALA 30 HA ALA 30 11.099 -3.922 2.302 243 HB1 ALA 30 3HB ALA 30 11.763 -1.624 1.735 244 HB2 ALA 30 1HB ALA 30 12.958 -2.429 2.754 245 HB3 ALA 30 2HB ALA 30 11.859 -1.240 3.455 246 H THR 31 H THR 31 9.960 -2.326 5.159 247 HA THR 31 HA THR 31 11.611 -3.639 7.040 248 HB THR 31 HB THR 31 8.816 -2.500 7.443 249 HG1 THR 31 HG1 THR 31 10.441 -1.024 6.639 250 HG21 THR 31 3HG2 THR 31 9.494 -2.281 9.811 251 HG22 THR 31 1HG2 THR 31 11.021 -3.082 9.440 252 HG23 THR 31 2HG2 THR 31 9.500 -3.965 9.292 253 H ILE 32 H ILE 32 8.403 -4.356 5.715 254 HA ILE 32 HA ILE 32 7.946 -6.690 7.217 255 HB ILE 32 HB ILE 32 6.891 -5.992 4.455 256 HG12 ILE 32 1HG1 ILE 32 6.238 -4.328 6.093 257 HG13 ILE 32 2HG1 ILE 32 4.841 -5.303 5.666 258 HG21 ILE 32 1HG2 ILE 32 6.669 -8.386 4.842 259 HG22 ILE 32 2HG2 ILE 32 5.086 -7.609 4.896 260 HG23 ILE 32 3HG2 ILE 32 5.888 -8.077 6.394 261 HD11 ILE 32 3HD1 ILE 32 6.485 -5.537 8.185 262 HD12 ILE 32 1HD1 ILE 32 5.124 -6.580 7.758 263 HD13 ILE 32 2HD1 ILE 32 4.866 -4.861 8.035 264 H GLN 33 H GLN 33 9.504 -6.191 4.096 265 HA GLN 33 HA GLN 33 9.983 -8.843 3.387 266 HB2 GLN 33 1HB GLN 33 11.774 -6.450 2.935 267 HB3 GLN 33 2HB GLN 33 11.944 -7.997 2.129 268 HG2 GLN 33 1HG GLN 33 9.753 -7.669 1.073 269 HG3 GLN 33 2HG GLN 33 9.617 -6.101 1.875 270 HE21 GLN 33 2HE2 GLN 33 11.217 -7.912 -0.593 271 HE22 GLN 33 1HE2 GLN 33 11.999 -6.585 -1.364 272 H SER 34 H SER 34 12.122 -6.638 5.175 273 HA SER 34 HA SER 34 14.099 -8.588 5.607 274 HB2 SER 34 1HB SER 34 15.050 -6.856 7.142 275 HB3 SER 34 2HB SER 34 14.736 -6.303 5.496 276 HG SER 34 HG SER 34 13.243 -4.962 6.222 277 H GLN 35 H GLN 35 11.416 -7.464 7.627 278 HA GLN 35 HA GLN 35 12.230 -8.844 9.966 279 HB2 GLN 35 1HB GLN 35 9.467 -7.951 9.120 280 HB3 GLN 35 2HB GLN 35 9.846 -8.614 10.701 281 HG2 GLN 35 1HG GLN 35 10.959 -6.077 9.526 282 HG3 GLN 35 2HG GLN 35 9.697 -6.189 10.753 283 HE21 GLN 35 2HE2 GLN 35 12.291 -4.891 10.839 284 HE22 GLN 35 1HE2 GLN 35 13.130 -5.585 12.176 285 H ARG 36 H ARG 36 10.057 -9.786 7.256 286 HA ARG 36 HA ARG 36 9.420 -12.269 8.367 287 HB2 ARG 36 1HB ARG 36 8.125 -10.917 6.722 288 HB3 ARG 36 2HB ARG 36 9.343 -11.311 5.524 289 HG2 ARG 36 1HG ARG 36 8.784 -13.608 5.616 290 HG3 ARG 36 2HG ARG 36 7.707 -13.340 6.992 291 HD2 ARG 36 1HD ARG 36 6.372 -13.493 5.106 292 HD3 ARG 36 2HD ARG 36 6.384 -11.805 5.565 293 HE ARG 36 HE ARG 36 8.285 -12.586 3.515 294 HH11 ARG 36 1HH1 ARG 36 5.102 -11.185 4.210 295 HH12 ARG 36 2HH1 ARG 36 4.898 -10.503 2.663 296 HH21 ARG 36 1HH2 ARG 36 7.994 -11.627 1.324 297 HH22 ARG 36 2HH2 ARG 36 6.623 -10.717 1.003 298 H GLY 37 H GLY 37 12.032 -11.028 6.499 299 HA2 GLY 37 1HA GLY 37 14.113 -12.061 6.216 300 HA3 GLY 37 2HA GLY 37 13.388 -13.597 6.699 301 H ASP 38 H ASP 38 12.057 -11.443 4.380 302 HA ASP 38 HA ASP 38 12.608 -13.432 2.303 303 HB2 ASP 38 1HB ASP 38 10.253 -13.514 2.950 304 HB3 ASP 38 2HB ASP 38 10.103 -11.782 2.698 305 H TYR 39 H TYR 39 12.772 -12.581 0.165 306 HA TYR 39 HA TYR 39 13.573 -9.767 0.137 307 HB2 TYR 39 1HB TYR 39 15.440 -10.415 -1.459 308 HB3 TYR 39 2HB TYR 39 15.660 -10.853 0.225 309 HD1 TYR 39 HD2 TYR 39 14.397 -12.322 -2.990 310 HD2 TYR 39 HD1 TYR 39 16.382 -12.997 0.710 311 HE1 TYR 39 HE2 TYR 39 14.858 -14.642 -3.660 312 HE2 TYR 39 HE1 TYR 39 16.849 -15.313 0.041 313 HH TYR 39 HH TYR 39 16.383 -16.384 -3.169 314 H ASN 40 H ASN 40 11.187 -11.429 -0.906 315 HA ASN 40 HA ASN 40 11.296 -11.023 -3.732 316 HB2 ASN 40 1HB ASN 40 9.722 -12.668 -2.676 317 HB3 ASN 40 2HB ASN 40 8.827 -11.315 -1.992 318 HD21 ASN 40 2HD2 ASN 40 9.484 -13.168 -4.824 319 HD22 ASN 40 1HD2 ASN 40 8.289 -12.439 -5.836 320 H GLY 41 H GLY 41 11.741 -9.018 -4.234 321 HA2 GLY 41 1HA GLY 41 10.138 -6.842 -3.109 322 HA3 GLY 41 2HA GLY 41 11.613 -6.654 -4.057 323 H LYS 42 H LYS 42 9.029 -8.768 -4.919 324 HA LYS 42 HA LYS 42 8.697 -7.244 -7.395 325 HB2 LYS 42 1HB LYS 42 7.646 -10.008 -6.732 326 HB3 LYS 42 2HB LYS 42 7.675 -9.255 -8.317 327 HG2 LYS 42 1HG LYS 42 10.103 -10.053 -6.708 328 HG3 LYS 42 2HG LYS 42 9.421 -10.972 -8.043 329 HD2 LYS 42 1HD LYS 42 10.447 -8.140 -8.315 330 HD3 LYS 42 2HD LYS 42 11.445 -9.560 -8.590 331 HE2 LYS 42 1HE LYS 42 9.884 -10.282 -10.369 332 HE3 LYS 42 2HE LYS 42 8.930 -8.826 -10.099 333 HZ1 LYS 42 3HZ LYS 42 10.783 -7.479 -10.768 334 HZ2 LYS 42 1HZ LYS 42 10.458 -8.595 -11.974 335 HZ3 LYS 42 2HZ LYS 42 11.786 -8.831 -10.970 336 H VAL 43 H VAL 43 6.671 -9.015 -5.030 337 HA VAL 43 HA VAL 43 4.715 -6.860 -5.156 338 HB VAL 43 HB VAL 43 2.835 -8.498 -5.210 339 HG11 VAL 43 1HG1 VAL 43 4.632 -8.603 -7.620 340 HG12 VAL 43 2HG1 VAL 43 3.414 -7.374 -7.273 341 HG13 VAL 43 3HG1 VAL 43 2.924 -9.035 -7.603 342 HG21 VAL 43 3HG2 VAL 43 4.971 -10.512 -5.912 343 HG22 VAL 43 1HG2 VAL 43 3.232 -10.795 -5.988 344 HG23 VAL 43 2HG2 VAL 43 4.006 -10.481 -4.435 345 H LEU 44 H LEU 44 3.280 -6.871 -3.340 346 HA LEU 44 HA LEU 44 4.086 -8.570 -1.086 347 HB2 LEU 44 1HB LEU 44 5.165 -6.333 -0.880 348 HB3 LEU 44 2HB LEU 44 3.587 -5.583 -0.966 349 HG LEU 44 HG LEU 44 2.991 -6.781 1.160 350 HD11 LEU 44 1HD1 LEU 44 4.793 -7.662 2.538 351 HD12 LEU 44 2HD1 LEU 44 5.933 -7.412 1.218 352 HD13 LEU 44 3HD1 LEU 44 4.624 -8.581 1.041 353 HD21 LEU 44 3HD2 LEU 44 4.266 -5.266 2.603 354 HD22 LEU 44 1HD2 LEU 44 3.662 -4.438 1.169 355 HD23 LEU 44 2HD2 LEU 44 5.357 -4.915 1.264 356 H SER 45 H SER 45 2.307 -9.341 -0.003 357 HA SER 45 HA SER 45 -0.247 -8.140 -0.758 358 HB2 SER 45 1HB SER 45 0.108 -10.395 -1.786 359 HB3 SER 45 2HB SER 45 0.237 -11.073 -0.166 360 HG SER 45 HG SER 45 -1.984 -9.519 -0.844 361 H ILE 46 H ILE 46 -1.185 -7.216 0.865 362 HA ILE 46 HA ILE 46 -0.659 -8.281 3.508 363 HB ILE 46 HB ILE 46 -1.093 -5.961 4.430 364 HG12 ILE 46 1HG1 ILE 46 -0.415 -4.066 2.800 365 HG13 ILE 46 2HG1 ILE 46 -0.795 -5.196 1.515 366 HG21 ILE 46 1HG2 ILE 46 1.365 -6.395 2.774 367 HG22 ILE 46 2HG2 ILE 46 1.092 -6.888 4.447 368 HG23 ILE 46 3HG2 ILE 46 1.200 -5.178 4.039 369 HD11 ILE 46 3HD1 ILE 46 -2.645 -3.700 1.884 370 HD12 ILE 46 1HD1 ILE 46 -2.693 -4.134 3.592 371 HD13 ILE 46 2HD1 ILE 46 -3.099 -5.335 2.372 372 H ARG 47 H ARG 47 -2.414 -7.430 5.129 373 HA ARG 47 HA ARG 47 -4.884 -8.499 4.001 374 HB2 ARG 47 1HB ARG 47 -3.795 -8.392 6.819 375 HB3 ARG 47 2HB ARG 47 -5.429 -8.881 6.458 376 HG2 ARG 47 1HG ARG 47 -4.064 -10.818 6.891 377 HG3 ARG 47 2HG ARG 47 -4.536 -10.820 5.199 378 HD2 ARG 47 1HD ARG 47 -2.168 -11.505 5.644 379 HD3 ARG 47 2HD ARG 47 -2.336 -10.158 4.524 380 HE ARG 47 HE ARG 47 -1.896 -8.752 6.641 381 HH11 ARG 47 1HH1 ARG 47 -0.419 -11.924 6.198 382 HH12 ARG 47 2HH1 ARG 47 1.069 -11.461 6.873 383 HH21 ARG 47 1HH2 ARG 47 0.080 -8.118 7.540 384 HH22 ARG 47 2HH2 ARG 47 1.362 -9.230 7.702 385 H GLN 48 H GLN 48 -6.797 -7.702 5.412 386 HA GLN 48 HA GLN 48 -7.121 -4.916 4.976 387 HB2 GLN 48 1HB GLN 48 -8.822 -6.893 6.511 388 HB3 GLN 48 2HB GLN 48 -9.328 -5.273 6.045 389 HG2 GLN 48 1HG GLN 48 -8.513 -7.433 4.116 390 HG3 GLN 48 2HG GLN 48 -10.179 -7.020 4.529 391 HE21 GLN 48 2HE2 GLN 48 -8.535 -6.853 2.007 392 HE22 GLN 48 1HE2 GLN 48 -8.775 -5.221 1.486 393 H ASP 49 H ASP 49 -6.206 -6.875 7.641 394 HA ASP 49 HA ASP 49 -6.556 -4.982 9.726 395 HB2 ASP 49 1HB ASP 49 -4.690 -7.358 9.538 396 HB3 ASP 49 2HB ASP 49 -4.963 -6.426 11.005 397 H ASP 50 H ASP 50 -3.934 -5.705 7.513 398 HA ASP 50 HA ASP 50 -2.045 -3.950 8.707 399 HB2 ASP 50 1HB ASP 50 -2.171 -4.856 5.822 400 HB3 ASP 50 2HB ASP 50 -0.769 -4.173 6.637 401 H LEU 51 H LEU 51 -4.382 -3.717 6.090 402 HA LEU 51 HA LEU 51 -3.854 -1.170 5.118 403 HB2 LEU 51 1HB LEU 51 -5.499 -2.749 4.156 404 HB3 LEU 51 2HB LEU 51 -6.559 -2.458 5.519 405 HG LEU 51 HG LEU 51 -6.733 -0.073 4.792 406 HD11 LEU 51 1HD1 LEU 51 -6.075 0.496 2.509 407 HD12 LEU 51 2HD1 LEU 51 -5.290 -1.074 2.353 408 HD13 LEU 51 3HD1 LEU 51 -4.685 0.104 3.520 409 HD21 LEU 51 3HD2 LEU 51 -7.592 -2.153 2.784 410 HD22 LEU 51 1HD2 LEU 51 -8.255 -0.526 2.931 411 HD23 LEU 51 2HD2 LEU 51 -8.471 -1.687 4.241 412 H ARG 52 H ARG 52 -5.842 -2.125 7.863 413 HA ARG 52 HA ARG 52 -6.778 0.425 8.665 414 HB2 ARG 52 1HB ARG 52 -6.330 -2.055 10.328 415 HB3 ARG 52 2HB ARG 52 -7.238 -0.646 10.846 416 HG2 ARG 52 1HG ARG 52 -7.956 -2.429 8.526 417 HG3 ARG 52 2HG ARG 52 -8.672 -2.499 10.133 418 HD2 ARG 52 1HD ARG 52 -8.791 -0.142 8.244 419 HD3 ARG 52 2HD ARG 52 -10.089 -1.288 8.571 420 HE ARG 52 HE ARG 52 -9.279 -0.234 11.000 421 HH11 ARG 52 1HH1 ARG 52 -10.930 0.847 8.046 422 HH12 ARG 52 2HH1 ARG 52 -11.769 2.108 8.830 423 HH21 ARG 52 1HH2 ARG 52 -10.488 1.501 12.051 424 HH22 ARG 52 2HH2 ARG 52 -11.492 2.506 11.109 425 H THR 53 H THR 53 -3.758 -1.145 9.089 426 HA THR 53 HA THR 53 -2.929 0.537 11.297 427 HB THR 53 HB THR 53 -1.343 -1.506 9.702 428 HG1 THR 53 HG1 THR 53 -3.167 -2.469 10.799 429 HG21 THR 53 3HG2 THR 53 0.026 0.098 10.977 430 HG22 THR 53 1HG2 THR 53 0.142 -1.523 11.661 431 HG23 THR 53 2HG2 THR 53 -0.868 -0.304 12.441 432 H LEU 54 H LEU 54 -1.970 -0.131 7.947 433 HA LEU 54 HA LEU 54 0.047 1.712 7.606 434 HB2 LEU 54 1HB LEU 54 -1.827 0.362 5.738 435 HB3 LEU 54 2HB LEU 54 -0.861 1.679 5.120 436 HG LEU 54 HG LEU 54 1.195 0.458 5.695 437 HD11 LEU 54 1HD1 LEU 54 0.423 -0.798 7.617 438 HD12 LEU 54 2HD1 LEU 54 1.123 -1.867 6.401 439 HD13 LEU 54 3HD1 LEU 54 -0.630 -1.758 6.582 440 HD21 LEU 54 3HD2 LEU 54 0.993 -1.330 4.042 441 HD22 LEU 54 1HD2 LEU 54 0.233 0.163 3.494 442 HD23 LEU 54 2HD2 LEU 54 -0.763 -1.167 4.086 443 H ALA 55 H ALA 55 -3.407 2.198 7.010 444 HA ALA 55 HA ALA 55 -3.313 4.735 5.906 445 HB1 ALA 55 3HB ALA 55 -5.621 5.000 6.643 446 HB2 ALA 55 1HB ALA 55 -5.425 3.660 7.773 447 HB3 ALA 55 2HB ALA 55 -5.354 3.364 6.037 448 H VAL 56 H VAL 56 -3.249 3.829 9.308 449 HA VAL 56 HA VAL 56 -3.509 6.519 10.240 450 HB VAL 56 HB VAL 56 -2.538 4.089 11.771 451 HG11 VAL 56 1HG1 VAL 56 -3.283 5.329 13.763 452 HG12 VAL 56 2HG1 VAL 56 -3.683 6.709 12.745 453 HG13 VAL 56 3HG1 VAL 56 -2.007 6.185 12.897 454 HG21 VAL 56 3HG2 VAL 56 -4.860 3.889 12.557 455 HG22 VAL 56 1HG2 VAL 56 -4.725 3.667 10.812 456 HG23 VAL 56 2HG2 VAL 56 -5.327 5.191 11.460 457 H ILE 57 H ILE 57 -0.865 4.308 9.630 458 HA ILE 57 HA ILE 57 1.225 5.760 10.848 459 HB ILE 57 HB ILE 57 1.469 4.054 8.347 460 HG12 ILE 57 1HG1 ILE 57 1.673 3.188 11.245 461 HG13 ILE 57 2HG1 ILE 57 0.339 2.824 10.151 462 HG21 ILE 57 1HG2 ILE 57 3.781 3.688 9.109 463 HG22 ILE 57 2HG2 ILE 57 3.501 4.781 10.465 464 HG23 ILE 57 3HG2 ILE 57 3.449 5.395 8.811 465 HD11 ILE 57 3HD1 ILE 57 3.188 1.907 9.821 466 HD12 ILE 57 1HD1 ILE 57 1.854 1.540 8.728 467 HD13 ILE 57 2HD1 ILE 57 1.837 0.921 10.379 468 H TYR 58 H TYR 58 -0.264 5.947 7.674 469 HA TYR 58 HA TYR 58 1.660 7.971 6.834 470 HB2 TYR 58 1HB TYR 58 -0.633 6.874 5.193 471 HB3 TYR 58 2HB TYR 58 0.808 7.700 4.606 472 HD1 TYR 58 HD2 TYR 58 2.851 6.198 6.302 473 HD2 TYR 58 HD1 TYR 58 -0.455 4.839 4.014 474 HE1 TYR 58 HE2 TYR 58 3.905 3.995 6.105 475 HE2 TYR 58 HE1 TYR 58 0.596 2.628 3.809 476 HH TYR 58 HH TYR 58 2.795 1.606 3.968 477 H ASP 59 H ASP 59 -0.950 8.002 8.655 478 HA ASP 59 HA ASP 59 -2.280 9.618 9.525 479 HB2 ASP 59 1HB ASP 59 -0.166 10.961 9.353 480 HB3 ASP 59 2HB ASP 59 -0.677 11.510 7.769 481 H GLN 60 H GLN 60 -2.974 8.216 7.052 482 HA GLN 60 HA GLN 60 -4.715 10.196 5.759 483 HB2 GLN 60 1HB GLN 60 -3.608 7.626 4.635 484 HB3 GLN 60 2HB GLN 60 -4.793 8.635 3.823 485 HG2 GLN 60 1HG GLN 60 -1.978 9.414 4.551 486 HG3 GLN 60 2HG GLN 60 -2.587 9.052 2.935 487 HE21 GLN 60 2HE2 GLN 60 -3.965 10.560 1.920 488 HE22 GLN 60 1HE2 GLN 60 -4.039 12.191 2.481 489 H SER 61 H SER 61 -6.779 9.470 5.045 490 HA SER 61 HA SER 61 -7.996 7.722 6.982 491 HB2 SER 61 1HB SER 61 -9.230 9.392 4.778 492 HB3 SER 61 2HB SER 61 -10.070 8.655 6.155 493 HG SER 61 HG SER 61 -7.936 10.162 6.894 494 HA PRO 62 HA PRO 62 -7.916 3.906 4.768 495 HB2 PRO 62 1HB PRO 62 -10.861 3.884 5.251 496 HB3 PRO 62 2HB PRO 62 -9.674 2.587 5.478 497 HG2 PRO 62 1HG PRO 62 -10.517 3.959 7.555 498 HG3 PRO 62 2HG PRO 62 -8.793 3.574 7.400 499 HD2 PRO 62 1HD PRO 62 -10.198 6.169 6.973 500 HD3 PRO 62 2HD PRO 62 -8.571 5.841 7.608 501 H SER 63 H SER 63 -10.766 5.876 3.720 502 HA SER 63 HA SER 63 -11.110 4.374 1.347 503 HB2 SER 63 1HB SER 63 -12.038 7.209 1.861 504 HB3 SER 63 2HB SER 63 -12.707 6.059 0.708 505 HG SER 63 HG SER 63 -12.687 4.882 3.058 506 H VAL 64 H VAL 64 -9.627 7.552 1.960 507 HA VAL 64 HA VAL 64 -8.877 7.860 -0.757 508 HB VAL 64 HB VAL 64 -7.544 9.800 -0.083 509 HG11 VAL 64 1HG1 VAL 64 -10.200 9.705 1.319 510 HG12 VAL 64 2HG1 VAL 64 -9.926 10.078 -0.378 511 HG13 VAL 64 3HG1 VAL 64 -9.316 11.165 0.872 512 HG21 VAL 64 3HG2 VAL 64 -8.197 9.004 2.752 513 HG22 VAL 64 1HG2 VAL 64 -7.424 10.513 2.268 514 HG23 VAL 64 2HG2 VAL 64 -6.599 8.975 2.007 515 H LEU 65 H LEU 65 -7.380 6.365 1.959 516 HA LEU 65 HA LEU 65 -4.751 6.226 0.928 517 HB2 LEU 65 1HB LEU 65 -5.425 5.841 3.325 518 HB3 LEU 65 2HB LEU 65 -6.135 4.323 2.848 519 HG LEU 65 HG LEU 65 -3.924 4.155 4.020 520 HD11 LEU 65 1HD1 LEU 65 -3.987 3.005 1.252 521 HD12 LEU 65 2HD1 LEU 65 -4.679 2.292 2.710 522 HD13 LEU 65 3HD1 LEU 65 -2.933 2.475 2.562 523 HD21 LEU 65 3HD2 LEU 65 -2.876 5.385 1.478 524 HD22 LEU 65 1HD2 LEU 65 -1.895 4.613 2.719 525 HD23 LEU 65 2HD2 LEU 65 -2.804 6.076 3.102 526 H THR 66 H THR 66 -7.526 4.025 0.798 527 HA THR 66 HA THR 66 -6.333 2.017 -0.743 528 HB THR 66 HB THR 66 -9.262 2.838 -0.690 529 HG1 THR 66 HG1 THR 66 -8.688 2.439 1.423 530 HG21 THR 66 3HG2 THR 66 -7.952 0.159 -1.250 531 HG22 THR 66 1HG2 THR 66 -8.695 1.209 -2.457 532 HG23 THR 66 2HG2 THR 66 -9.687 0.468 -1.204 533 H GLU 67 H GLU 67 -8.170 4.926 -1.622 534 HA GLU 67 HA GLU 67 -8.209 4.510 -4.379 535 HB2 GLU 67 1HB GLU 67 -8.342 7.088 -2.819 536 HB3 GLU 67 2HB GLU 67 -8.599 6.976 -4.556 537 HG2 GLU 67 1HG GLU 67 -10.503 5.475 -4.164 538 HG3 GLU 67 2HG GLU 67 -10.251 5.632 -2.428 539 H GLN 68 H GLN 68 -5.809 6.207 -2.362 540 HA GLN 68 HA GLN 68 -4.135 7.218 -4.291 541 HB2 GLN 68 1HB GLN 68 -3.605 6.077 -1.569 542 HB3 GLN 68 2HB GLN 68 -2.294 6.686 -2.559 543 HG2 GLN 68 1HG GLN 68 -4.689 8.291 -1.683 544 HG3 GLN 68 2HG GLN 68 -3.117 8.307 -0.884 545 HE21 GLN 68 2HE2 GLN 68 -4.547 10.477 -2.123 546 HE22 GLN 68 1HE2 GLN 68 -3.512 11.112 -3.354 547 H LEU 69 H LEU 69 -3.839 4.045 -2.733 548 HA LEU 69 HA LEU 69 -1.730 3.041 -4.230 549 HB2 LEU 69 1HB LEU 69 -3.962 1.763 -2.719 550 HB3 LEU 69 2HB LEU 69 -2.925 0.768 -3.712 551 HG LEU 69 HG LEU 69 -2.289 0.719 -1.362 552 HD11 LEU 69 1HD1 LEU 69 -0.607 0.345 -3.065 553 HD12 LEU 69 2HD1 LEU 69 0.076 1.116 -1.639 554 HD13 LEU 69 3HD1 LEU 69 -0.228 2.069 -3.092 555 HD21 LEU 69 3HD2 LEU 69 -1.250 2.663 -0.282 556 HD22 LEU 69 1HD2 LEU 69 -2.940 2.971 -0.682 557 HD23 LEU 69 2HD2 LEU 69 -1.660 3.657 -1.682 558 H ILE 70 H ILE 70 -5.145 2.990 -4.936 559 HA ILE 70 HA ILE 70 -4.887 1.353 -7.246 560 HB ILE 70 HB ILE 70 -7.166 3.100 -6.281 561 HG12 ILE 70 1HG1 ILE 70 -6.759 0.103 -6.231 562 HG13 ILE 70 2HG1 ILE 70 -6.537 1.179 -4.860 563 HG21 ILE 70 1HG2 ILE 70 -7.328 2.830 -8.713 564 HG22 ILE 70 2HG2 ILE 70 -8.591 1.909 -7.896 565 HG23 ILE 70 3HG2 ILE 70 -7.170 1.082 -8.536 566 HD11 ILE 70 3HD1 ILE 70 -8.903 1.749 -4.934 567 HD12 ILE 70 1HD1 ILE 70 -8.655 0.013 -4.748 568 HD13 ILE 70 2HD1 ILE 70 -9.113 0.676 -6.316 569 H SER 71 H SER 71 -5.025 4.863 -6.719 570 HA SER 71 HA SER 71 -5.145 5.486 -9.468 571 HB2 SER 71 1HB SER 71 -4.528 7.814 -8.723 572 HB3 SER 71 2HB SER 71 -5.946 7.136 -7.936 573 HG SER 71 HG SER 71 -3.695 6.565 -6.501 574 H TRP 72 H TRP 72 -2.492 4.639 -7.426 575 HA TRP 72 HA TRP 72 -0.492 5.662 -9.266 576 HB2 TRP 72 1HB TRP 72 -0.136 3.697 -6.998 577 HB3 TRP 72 2HB TRP 72 1.147 4.564 -7.830 578 HD1 TRP 72 HD1 TRP 72 -0.468 7.456 -7.580 579 HE1 TRP 72 HE1 TRP 72 -0.431 8.604 -5.274 580 HE3 TRP 72 HE3 TRP 72 0.789 3.446 -4.687 581 HZ2 TRP 72 HZ2 TRP 72 0.086 7.908 -2.601 582 HZ3 TRP 72 HZ3 TRP 72 1.058 3.780 -2.266 583 HH2 TRP 72 HH2 TRP 72 0.711 5.963 -1.249 584 H GLY 73 H GLY 73 -2.493 2.982 -9.073 585 HA2 GLY 73 1HA GLY 73 -2.652 1.133 -10.458 586 HA3 GLY 73 2HA GLY 73 -1.156 1.637 -11.236 587 H VAL 74 H VAL 74 -1.144 1.419 -7.833 588 HA VAL 74 HA VAL 74 0.741 -0.796 -7.985 589 HB VAL 74 HB VAL 74 -0.087 0.912 -5.605 590 HG11 VAL 74 1HG1 VAL 74 2.169 -1.085 -5.845 591 HG12 VAL 74 2HG1 VAL 74 0.703 -1.288 -4.886 592 HG13 VAL 74 3HG1 VAL 74 1.866 -0.036 -4.459 593 HG21 VAL 74 3HG2 VAL 74 2.446 0.964 -7.229 594 HG22 VAL 74 1HG2 VAL 74 2.071 2.002 -5.860 595 HG23 VAL 74 2HG2 VAL 74 1.145 2.141 -7.363 596 H LEU 75 H LEU 75 -2.446 -0.053 -6.806 597 HA LEU 75 HA LEU 75 -2.743 -2.840 -5.949 598 HB2 LEU 75 1HB LEU 75 -2.917 -1.232 -4.112 599 HB3 LEU 75 2HB LEU 75 -4.187 -0.377 -4.967 600 HG LEU 75 HG LEU 75 -5.623 -2.394 -4.738 601 HD11 LEU 75 1HD1 LEU 75 -4.970 -4.136 -3.155 602 HD12 LEU 75 2HD1 LEU 75 -3.370 -3.406 -3.011 603 HD13 LEU 75 3HD1 LEU 75 -3.893 -4.088 -4.550 604 HD21 LEU 75 3HD2 LEU 75 -6.078 -2.094 -2.349 605 HD22 LEU 75 1HD2 LEU 75 -5.795 -0.551 -3.154 606 HD23 LEU 75 2HD2 LEU 75 -4.531 -1.270 -2.159 607 H ASP 76 H ASP 76 -4.595 -3.886 -6.519 608 HA ASP 76 HA ASP 76 -5.713 -3.404 -9.053 609 HB2 ASP 76 1HB ASP 76 -5.485 -5.631 -8.008 610 HB3 ASP 76 2HB ASP 76 -6.667 -5.166 -6.799 611 H ALA 77 H ALA 77 -7.705 -2.638 -9.654 612 HA ALA 77 HA ALA 77 -8.692 -0.470 -8.141 613 HB1 ALA 77 3HB ALA 77 -10.209 -0.087 -9.965 614 HB2 ALA 77 1HB ALA 77 -9.888 -1.697 -10.607 615 HB3 ALA 77 2HB ALA 77 -8.604 -0.486 -10.579 616 H ASP 78 H ASP 78 -9.777 -3.747 -8.344 617 HA ASP 78 HA ASP 78 -12.500 -3.229 -7.654 618 HB2 ASP 78 1HB ASP 78 -11.901 -5.258 -8.856 619 HB3 ASP 78 2HB ASP 78 -10.934 -5.815 -7.498 620 H ALA 79 H ALA 79 -9.649 -3.419 -5.857 621 HA ALA 79 HA ALA 79 -10.405 -4.424 -3.382 622 HB1 ALA 79 3HB ALA 79 -8.511 -2.139 -3.898 623 HB2 ALA 79 1HB ALA 79 -8.103 -3.852 -3.979 624 HB3 ALA 79 2HB ALA 79 -8.576 -3.127 -2.441 625 H ARG 80 H ARG 80 -10.898 -1.188 -4.680 626 HA ARG 80 HA ARG 80 -11.814 -0.104 -2.252 627 HB2 ARG 80 1HB ARG 80 -12.792 1.793 -3.670 628 HB3 ARG 80 2HB ARG 80 -11.062 1.565 -3.682 629 HG2 ARG 80 1HG ARG 80 -11.914 2.138 -5.897 630 HG3 ARG 80 2HG ARG 80 -11.187 0.539 -5.889 631 HD2 ARG 80 1HD ARG 80 -13.205 0.519 -7.220 632 HD3 ARG 80 2HD ARG 80 -13.394 -0.462 -5.794 633 HE ARG 80 HE ARG 80 -14.316 2.037 -5.078 634 HH11 ARG 80 1HH1 ARG 80 -15.295 -0.505 -7.371 635 HH12 ARG 80 2HH1 ARG 80 -16.944 -0.134 -7.267 636 HH21 ARG 80 1HH2 ARG 80 -16.598 2.484 -4.896 637 HH22 ARG 80 2HH2 ARG 80 -17.692 1.615 -5.882 638 H ARG 81 H ARG 81 -13.467 -2.018 -4.547 639 HA ARG 81 HA ARG 81 -16.124 -1.168 -3.886 640 HB2 ARG 81 1HB ARG 81 -15.732 -2.265 -5.983 641 HB3 ARG 81 2HB ARG 81 -15.053 -3.681 -5.188 642 HG2 ARG 81 1HG ARG 81 -17.340 -3.968 -4.112 643 HG3 ARG 81 2HG ARG 81 -17.920 -2.772 -5.276 644 HD2 ARG 81 1HD ARG 81 -18.267 -5.108 -6.035 645 HD3 ARG 81 2HD ARG 81 -17.223 -4.184 -7.120 646 HE ARG 81 HE ARG 81 -15.438 -5.495 -6.556 647 HH11 ARG 81 1HH1 ARG 81 -18.165 -6.419 -4.449 648 HH12 ARG 81 2HH1 ARG 81 -17.375 -7.760 -3.789 649 HH21 ARG 81 1HH2 ARG 81 -14.375 -7.276 -5.629 650 HH22 ARG 81 2HH2 ARG 81 -15.157 -8.301 -4.498 651 H ALA 82 H ALA 82 -14.110 -3.926 -3.119 652 HA ALA 82 HA ALA 82 -15.950 -5.238 -1.467 653 HB1 ALA 82 3HB ALA 82 -12.960 -5.534 -1.561 654 HB2 ALA 82 1HB ALA 82 -14.107 -6.354 -2.622 655 HB3 ALA 82 2HB ALA 82 -14.108 -6.688 -0.890 656 H VAL 83 H VAL 83 -13.377 -2.934 -0.721 657 HA VAL 83 HA VAL 83 -13.687 -3.361 2.092 658 HB VAL 83 HB VAL 83 -11.527 -2.591 1.080 659 HG11 VAL 83 1HG1 VAL 83 -12.336 -1.002 -0.517 660 HG12 VAL 83 2HG1 VAL 83 -11.177 -0.226 0.569 661 HG13 VAL 83 3HG1 VAL 83 -12.907 0.061 0.767 662 HG21 VAL 83 3HG2 VAL 83 -12.630 -0.797 3.243 663 HG22 VAL 83 1HG2 VAL 83 -10.919 -1.012 2.871 664 HG23 VAL 83 2HG2 VAL 83 -11.870 -2.369 3.474 665 H ALA 84 H ALA 84 -15.178 -1.290 -0.255 666 HA ALA 84 HA ALA 84 -16.261 0.542 1.669 667 HB1 ALA 84 3HB ALA 84 -17.569 1.425 -0.199 668 HB2 ALA 84 1HB ALA 84 -17.056 0.069 -1.203 669 HB3 ALA 84 2HB ALA 84 -15.870 1.247 -0.642 670 H SER 85 H SER 85 -17.354 -2.368 0.041 671 HA SER 85 HA SER 85 -19.990 -2.152 1.131 672 HB2 SER 85 1HB SER 85 -20.232 -4.442 0.120 673 HB3 SER 85 2HB SER 85 -19.786 -3.177 -1.021 674 HG SER 85 HG SER 85 -17.791 -4.671 0.271 675 H HIS 86 H HIS 86 -20.141 -2.358 3.251 676 HA HIS 86 HA HIS 86 -20.288 -3.329 5.292 677 HB2 HIS 86 1HB HIS 86 -19.207 -5.830 3.936 678 HB3 HIS 86 2HB HIS 86 -19.914 -5.774 5.543 679 HD1 HIS 86 HD1 HIS 86 -22.461 -5.978 5.676 680 HD2 HIS 86 HD2 HIS 86 -21.041 -5.484 1.803 681 HE1 HIS 86 HE1 HIS 86 -24.436 -6.366 4.143 682 H ASP 87 H ASP 87 -18.694 -4.805 6.843 683 HA ASP 87 HA ASP 87 -15.950 -3.863 6.294 684 HB2 ASP 87 1HB ASP 87 -16.954 -2.411 8.050 685 HB3 ASP 87 2HB ASP 87 -17.238 -3.838 9.040 686 H GLU 88 H GLU 88 -17.798 -5.884 8.444 687 HA GLU 88 HA GLU 88 -16.137 -8.197 7.683 688 HB2 GLU 88 1HB GLU 88 -17.545 -7.695 10.341 689 HB3 GLU 88 2HB GLU 88 -16.688 -9.158 9.906 690 HG2 GLU 88 1HG GLU 88 -14.589 -8.021 9.929 691 HG3 GLU 88 2HG GLU 88 -15.386 -6.461 10.153 692 H LEU 89 H LEU 89 -19.097 -6.920 8.991 693 HA LEU 89 HA LEU 89 -20.706 -8.473 7.153 694 HB2 LEU 89 1HB LEU 89 -21.340 -7.658 10.015 695 HB3 LEU 89 2HB LEU 89 -22.475 -8.388 8.904 696 HG LEU 89 HG LEU 89 -20.022 -9.738 10.044 697 HD11 LEU 89 1HD1 LEU 89 -21.745 -9.363 11.724 698 HD12 LEU 89 2HD1 LEU 89 -21.628 -11.073 11.316 699 HD13 LEU 89 3HD1 LEU 89 -22.948 -10.101 10.666 700 HD21 LEU 89 3HD2 LEU 89 -20.572 -10.586 7.821 701 HD22 LEU 89 1HD2 LEU 89 -22.250 -10.819 8.314 702 HD23 LEU 89 2HD2 LEU 89 -20.974 -11.779 9.057 Start of MODEL 5 1 H1 MET 1 1H MET 1 -16.714 -18.718 -7.262 2 H2 MET 1 2H MET 1 -16.232 -17.557 -6.122 3 H3 MET 1 3H MET 1 -15.096 -18.242 -7.145 4 HA MET 1 HA MET 1 -16.044 -17.198 -9.032 5 HB2 MET 1 1HB MET 1 -17.982 -15.933 -7.062 6 HB3 MET 1 2HB MET 1 -17.846 -15.544 -8.764 7 HG2 MET 1 1HG MET 1 -19.784 -16.882 -8.404 8 HG3 MET 1 2HG MET 1 -18.608 -17.825 -9.306 9 HE1 MET 1 3HE MET 1 -19.994 -19.985 -8.792 10 HE2 MET 1 1HE MET 1 -21.154 -19.021 -7.882 11 HE3 MET 1 2HE MET 1 -20.485 -20.492 -7.170 12 H GLU 2 H GLU 2 -14.097 -16.272 -9.098 13 HA GLU 2 HA GLU 2 -12.486 -14.752 -8.945 14 HB2 GLU 2 1HB GLU 2 -14.593 -13.077 -7.567 15 HB3 GLU 2 2HB GLU 2 -12.988 -12.480 -7.958 16 HG2 GLU 2 1HG GLU 2 -13.414 -12.792 -10.313 17 HG3 GLU 2 2HG GLU 2 -14.995 -13.490 -9.955 18 HA PRO 3 HA PRO 3 -10.586 -15.694 -5.091 19 HB2 PRO 3 1HB PRO 3 -8.557 -13.841 -5.104 20 HB3 PRO 3 2HB PRO 3 -8.503 -15.334 -6.046 21 HG2 PRO 3 1HG PRO 3 -9.235 -12.571 -6.922 22 HG3 PRO 3 2HG PRO 3 -8.247 -13.785 -7.756 23 HD2 PRO 3 1HD PRO 3 -10.818 -13.336 -8.417 24 HD3 PRO 3 2HD PRO 3 -10.094 -14.957 -8.501 25 HA PRO 4 HA PRO 4 -12.427 -12.638 -2.341 26 HB2 PRO 4 1HB PRO 4 -10.298 -13.530 -0.466 27 HB3 PRO 4 2HB PRO 4 -12.048 -13.448 -0.208 28 HG2 PRO 4 1HG PRO 4 -10.857 -15.792 -0.559 29 HG3 PRO 4 2HG PRO 4 -12.429 -15.459 -1.311 30 HD2 PRO 4 1HD PRO 4 -9.707 -15.464 -2.558 31 HD3 PRO 4 2HD PRO 4 -11.254 -16.062 -3.196 32 HA PRO 5 HA PRO 5 -9.658 -9.260 -3.154 33 HB2 PRO 5 1HB PRO 5 -10.833 -8.050 -0.709 34 HB3 PRO 5 2HB PRO 5 -10.683 -7.364 -2.334 35 HG2 PRO 5 1HG PRO 5 -13.016 -8.222 -1.462 36 HG3 PRO 5 2HG PRO 5 -12.510 -8.549 -3.130 37 HD2 PRO 5 1HD PRO 5 -12.544 -10.394 -0.771 38 HD3 PRO 5 2HD PRO 5 -12.965 -10.712 -2.470 39 H LYS 6 H LYS 6 -7.731 -10.078 -2.695 40 HA LYS 6 HA LYS 6 -6.743 -9.722 0.010 41 HB2 LYS 6 1HB LYS 6 -5.789 -11.580 -2.181 42 HB3 LYS 6 2HB LYS 6 -4.863 -11.278 -0.714 43 HG2 LYS 6 1HG LYS 6 -6.700 -12.110 0.655 44 HG3 LYS 6 2HG LYS 6 -7.670 -12.370 -0.783 45 HD2 LYS 6 1HD LYS 6 -5.025 -13.756 -0.389 46 HD3 LYS 6 2HD LYS 6 -6.507 -14.390 0.311 47 HE2 LYS 6 1HE LYS 6 -6.162 -15.547 -1.733 48 HE3 LYS 6 2HE LYS 6 -7.475 -14.415 -2.008 49 HZ1 LYS 6 3HZ LYS 6 -4.655 -13.986 -2.831 50 HZ2 LYS 6 1HZ LYS 6 -5.955 -12.979 -3.223 51 HZ3 LYS 6 2HZ LYS 6 -5.882 -14.531 -3.835 52 H LEU 7 H LEU 7 -5.308 -8.286 0.359 53 HA LEU 7 HA LEU 7 -4.893 -6.367 -1.733 54 HB2 LEU 7 1HB LEU 7 -4.075 -6.293 1.152 55 HB3 LEU 7 2HB LEU 7 -4.125 -4.929 0.049 56 HG LEU 7 HG LEU 7 -6.515 -6.504 1.006 57 HD11 LEU 7 1HD1 LEU 7 -5.572 -3.752 1.726 58 HD12 LEU 7 2HD1 LEU 7 -5.558 -5.177 2.765 59 HD13 LEU 7 3HD1 LEU 7 -7.093 -4.486 2.230 60 HD21 LEU 7 3HD2 LEU 7 -7.849 -4.737 -0.062 61 HD22 LEU 7 1HD2 LEU 7 -6.884 -5.629 -1.235 62 HD23 LEU 7 2HD2 LEU 7 -6.373 -4.025 -0.714 63 H VAL 8 H VAL 8 -3.338 -6.838 -3.087 64 HA VAL 8 HA VAL 8 -0.681 -7.476 -2.006 65 HB VAL 8 HB VAL 8 -1.768 -8.107 -4.775 66 HG11 VAL 8 1HG1 VAL 8 0.640 -7.762 -4.764 67 HG12 VAL 8 2HG1 VAL 8 0.254 -9.464 -5.034 68 HG13 VAL 8 3HG1 VAL 8 0.813 -8.927 -3.451 69 HG21 VAL 8 3HG2 VAL 8 -2.857 -9.470 -3.060 70 HG22 VAL 8 1HG2 VAL 8 -1.281 -9.983 -2.460 71 HG23 VAL 8 2HG2 VAL 8 -1.805 -10.438 -4.087 72 H LEU 9 H LEU 9 0.808 -5.967 -2.345 73 HA LEU 9 HA LEU 9 0.131 -3.686 -4.074 74 HB2 LEU 9 1HB LEU 9 2.192 -3.940 -1.889 75 HB3 LEU 9 2HB LEU 9 1.884 -2.492 -2.819 76 HG LEU 9 HG LEU 9 -0.013 -3.794 -0.864 77 HD11 LEU 9 1HD1 LEU 9 0.366 -1.762 0.454 78 HD12 LEU 9 2HD1 LEU 9 1.559 -1.225 -0.731 79 HD13 LEU 9 3HD1 LEU 9 1.850 -2.683 0.215 80 HD21 LEU 9 3HD2 LEU 9 -1.426 -1.821 -1.219 81 HD22 LEU 9 1HD2 LEU 9 -1.235 -2.748 -2.706 82 HD23 LEU 9 2HD2 LEU 9 -0.324 -1.257 -2.474 83 H ASP 10 H ASP 10 1.393 -3.143 -5.758 84 HA ASP 10 HA ASP 10 3.594 -4.924 -6.495 85 HB2 ASP 10 1HB ASP 10 1.863 -4.074 -8.206 86 HB3 ASP 10 2HB ASP 10 2.601 -2.496 -8.008 87 H LEU 11 H LEU 11 5.438 -4.455 -5.590 88 HA LEU 11 HA LEU 11 5.922 -1.897 -4.393 89 HB2 LEU 11 1HB LEU 11 7.726 -4.287 -4.641 90 HB3 LEU 11 2HB LEU 11 8.056 -2.868 -3.671 91 HG LEU 11 HG LEU 11 5.766 -4.782 -3.230 92 HD11 LEU 11 1HD1 LEU 11 8.385 -4.422 -1.811 93 HD12 LEU 11 2HD1 LEU 11 7.812 -5.858 -2.677 94 HD13 LEU 11 3HD1 LEU 11 7.036 -5.353 -1.179 95 HD21 LEU 11 3HD2 LEU 11 5.475 -3.566 -1.109 96 HD22 LEU 11 1HD2 LEU 11 5.193 -2.529 -2.505 97 HD23 LEU 11 2HD2 LEU 11 6.710 -2.413 -1.614 98 H GLU 12 H GLU 12 6.674 -3.317 -7.406 99 HA GLU 12 HA GLU 12 8.977 -1.692 -7.942 100 HB2 GLU 12 1HB GLU 12 7.188 -3.206 -9.813 101 HB3 GLU 12 2HB GLU 12 8.737 -2.495 -10.240 102 HG2 GLU 12 1HG GLU 12 9.798 -4.009 -8.576 103 HG3 GLU 12 2HG GLU 12 8.219 -4.762 -8.352 104 H ARG 13 H ARG 13 5.562 -1.680 -8.715 105 HA ARG 13 HA ARG 13 5.575 0.706 -10.244 106 HB2 ARG 13 1HB ARG 13 3.690 -1.092 -9.894 107 HB3 ARG 13 2HB ARG 13 3.246 -0.087 -8.523 108 HG2 ARG 13 1HG ARG 13 1.896 0.591 -10.349 109 HG3 ARG 13 2HG ARG 13 3.109 1.855 -10.108 110 HD2 ARG 13 1HD ARG 13 2.888 1.338 -12.491 111 HD3 ARG 13 2HD ARG 13 4.485 0.867 -11.913 112 HE ARG 13 HE ARG 13 2.233 -0.960 -12.347 113 HH11 ARG 13 1HH1 ARG 13 5.770 -0.373 -12.478 114 HH12 ARG 13 2HH1 ARG 13 6.109 -1.980 -12.893 115 HH21 ARG 13 1HH2 ARG 13 2.826 -3.167 -12.952 116 HH22 ARG 13 2HH2 ARG 13 4.471 -3.542 -13.188 117 H LEU 14 H LEU 14 5.301 -0.054 -6.867 118 HA LEU 14 HA LEU 14 4.649 2.492 -5.886 119 HB2 LEU 14 1HB LEU 14 4.430 0.370 -4.627 120 HB3 LEU 14 2HB LEU 14 6.178 0.277 -4.534 121 HG LEU 14 HG LEU 14 6.189 2.353 -3.193 122 HD11 LEU 14 1HD1 LEU 14 3.188 2.050 -3.228 123 HD12 LEU 14 2HD1 LEU 14 4.106 3.315 -4.045 124 HD13 LEU 14 3HD1 LEU 14 4.118 3.220 -2.289 125 HD21 LEU 14 3HD2 LEU 14 6.191 0.154 -2.117 126 HD22 LEU 14 1HD2 LEU 14 4.427 0.158 -2.105 127 HD23 LEU 14 2HD2 LEU 14 5.327 1.349 -1.155 128 H ALA 15 H ALA 15 7.655 1.016 -6.821 129 HA ALA 15 HA ALA 15 9.375 2.972 -5.674 130 HB1 ALA 15 3HB ALA 15 10.150 0.710 -6.221 131 HB2 ALA 15 1HB ALA 15 11.124 1.935 -7.036 132 HB3 ALA 15 2HB ALA 15 9.900 1.041 -7.934 133 H THR 16 H THR 16 7.480 2.814 -8.532 134 HA THR 16 HA THR 16 8.915 4.825 -9.987 135 HB THR 16 HB THR 16 6.146 3.689 -10.463 136 HG1 THR 16 HG1 THR 16 8.717 2.724 -10.802 137 HG21 THR 16 3HG2 THR 16 8.168 4.915 -12.363 138 HG22 THR 16 1HG2 THR 16 6.695 5.700 -11.793 139 HG23 THR 16 2HG2 THR 16 6.591 4.264 -12.811 140 H VAL 17 H VAL 17 6.170 4.622 -7.843 141 HA VAL 17 HA VAL 17 5.016 7.157 -8.244 142 HB VAL 17 HB VAL 17 5.126 5.509 -5.690 143 HG11 VAL 17 1HG1 VAL 17 3.175 7.664 -6.501 144 HG12 VAL 17 2HG1 VAL 17 4.424 7.809 -5.266 145 HG13 VAL 17 3HG1 VAL 17 3.081 6.685 -5.038 146 HG21 VAL 17 3HG2 VAL 17 4.206 4.221 -7.526 147 HG22 VAL 17 1HG2 VAL 17 3.078 5.524 -7.897 148 HG23 VAL 17 2HG2 VAL 17 2.934 4.643 -6.377 149 HA PRO 18 HA PRO 18 8.137 10.118 -6.929 150 HB2 PRO 18 1HB PRO 18 5.694 11.227 -5.588 151 HB3 PRO 18 2HB PRO 18 6.964 12.076 -6.478 152 HG2 PRO 18 1HG PRO 18 4.649 11.523 -7.654 153 HG3 PRO 18 2HG PRO 18 6.176 11.392 -8.543 154 HD2 PRO 18 1HD PRO 18 4.377 9.257 -7.561 155 HD3 PRO 18 2HD PRO 18 5.540 9.228 -8.902 156 H ALA 19 H ALA 19 9.461 10.212 -5.259 157 HA ALA 19 HA ALA 19 9.260 8.457 -3.112 158 HB1 ALA 19 3HB ALA 19 11.157 10.779 -3.294 159 HB2 ALA 19 1HB ALA 19 11.376 9.236 -4.121 160 HB3 ALA 19 2HB ALA 19 11.355 9.297 -2.362 161 H GLU 20 H GLU 20 8.062 11.690 -3.264 162 HA GLU 20 HA GLU 20 8.107 11.979 -0.409 163 HB2 GLU 20 1HB GLU 20 8.032 13.888 -2.121 164 HB3 GLU 20 2HB GLU 20 6.319 13.522 -2.284 165 HG2 GLU 20 1HG GLU 20 6.684 15.362 -0.739 166 HG3 GLU 20 2HG GLU 20 5.984 13.968 0.089 167 H LYS 21 H LYS 21 5.949 10.629 -2.763 168 HA LYS 21 HA LYS 21 3.710 10.496 -0.922 169 HB2 LYS 21 1HB LYS 21 4.023 9.257 -3.667 170 HB3 LYS 21 2HB LYS 21 2.549 9.326 -2.732 171 HG2 LYS 21 1HG LYS 21 2.553 11.777 -2.916 172 HG3 LYS 21 2HG LYS 21 4.028 11.685 -3.881 173 HD2 LYS 21 1HD LYS 21 2.857 10.348 -5.564 174 HD3 LYS 21 2HD LYS 21 1.385 10.406 -4.597 175 HE2 LYS 21 1HE LYS 21 1.399 12.879 -4.819 176 HE3 LYS 21 2HE LYS 21 2.811 12.738 -5.865 177 HZ1 LYS 21 3HZ LYS 21 0.784 12.959 -7.156 178 HZ2 LYS 21 1HZ LYS 21 0.122 11.605 -6.428 179 HZ3 LYS 21 2HZ LYS 21 1.447 11.447 -7.435 180 H ALA 22 H ALA 22 5.948 8.288 -2.539 181 HA ALA 22 HA ALA 22 4.861 6.031 -1.013 182 HB1 ALA 22 3HB ALA 22 6.690 6.072 -3.386 183 HB2 ALA 22 1HB ALA 22 4.946 5.824 -3.427 184 HB3 ALA 22 2HB ALA 22 5.992 4.637 -2.636 185 H GLY 23 H GLY 23 7.398 8.152 -0.726 186 HA2 GLY 23 1HA GLY 23 9.630 6.568 -0.200 187 HA3 GLY 23 2HA GLY 23 9.340 8.153 0.494 188 HA PRO 24 HA PRO 24 8.487 6.543 4.568 189 HB2 PRO 24 1HB PRO 24 5.571 7.134 4.307 190 HB3 PRO 24 2HB PRO 24 6.697 7.596 5.591 191 HG2 PRO 24 1HG PRO 24 5.917 9.397 3.823 192 HG3 PRO 24 2HG PRO 24 7.617 9.324 4.327 193 HD2 PRO 24 1HD PRO 24 6.347 8.331 1.804 194 HD3 PRO 24 2HD PRO 24 7.901 9.162 2.030 195 H LEU 25 H LEU 25 6.303 5.524 2.055 196 HA LEU 25 HA LEU 25 5.323 3.277 3.521 197 HB2 LEU 25 1HB LEU 25 3.826 4.351 2.028 198 HB3 LEU 25 2HB LEU 25 4.918 4.182 0.683 199 HG LEU 25 HG LEU 25 4.487 1.741 0.647 200 HD11 LEU 25 1HD1 LEU 25 2.759 0.768 2.064 201 HD12 LEU 25 2HD1 LEU 25 2.589 2.298 2.917 202 HD13 LEU 25 3HD1 LEU 25 4.096 1.389 3.029 203 HD21 LEU 25 3HD2 LEU 25 1.937 3.329 0.756 204 HD22 LEU 25 1HD2 LEU 25 2.198 1.811 -0.094 205 HD23 LEU 25 2HD2 LEU 25 3.028 3.280 -0.623 206 H GLN 26 H GLN 26 7.781 3.794 1.047 207 HA GLN 26 HA GLN 26 8.339 1.064 0.615 208 HB2 GLN 26 1HB GLN 26 10.043 3.521 0.264 209 HB3 GLN 26 2HB GLN 26 10.687 1.917 -0.040 210 HG2 GLN 26 1HG GLN 26 8.261 3.058 -1.417 211 HG3 GLN 26 2HG GLN 26 9.894 3.118 -2.072 212 HE21 GLN 26 2HE2 GLN 26 9.390 1.893 -3.846 213 HE22 GLN 26 1HE2 GLN 26 9.031 0.203 -3.794 214 H ARG 27 H ARG 27 9.103 3.116 3.216 215 HA ARG 27 HA ARG 27 11.202 1.579 4.419 216 HB2 ARG 27 1HB ARG 27 9.106 3.187 5.860 217 HB3 ARG 27 2HB ARG 27 10.694 2.754 6.461 218 HG2 ARG 27 1HG ARG 27 11.708 4.218 4.765 219 HG3 ARG 27 2HG ARG 27 10.089 4.667 4.222 220 HD2 ARG 27 1HD ARG 27 11.253 5.123 6.963 221 HD3 ARG 27 2HD ARG 27 10.942 6.354 5.735 222 HE ARG 27 HE ARG 27 8.638 4.824 6.560 223 HH11 ARG 27 1HH1 ARG 27 10.512 7.788 7.084 224 HH12 ARG 27 2HH1 ARG 27 9.281 8.574 7.954 225 HH21 ARG 27 1HH2 ARG 27 6.971 5.907 7.818 226 HH22 ARG 27 2HH2 ARG 27 7.241 7.479 8.398 227 H TYR 28 H TYR 28 7.747 1.875 5.005 228 HA TYR 28 HA TYR 28 7.346 -0.154 6.867 229 HB2 TYR 28 1HB TYR 28 5.682 1.570 6.369 230 HB3 TYR 28 2HB TYR 28 5.492 0.943 4.746 231 HD1 TYR 28 HD2 TYR 28 4.708 0.379 8.295 232 HD2 TYR 28 HD1 TYR 28 4.156 -1.035 4.313 233 HE1 TYR 28 HE2 TYR 28 2.887 -1.071 9.065 234 HE2 TYR 28 HE1 TYR 28 2.325 -2.479 5.078 235 HH TYR 28 HH TYR 28 1.596 -3.530 7.124 236 H ALA 29 H ALA 29 7.232 -0.185 3.365 237 HA ALA 29 HA ALA 29 6.371 -2.752 2.878 238 HB1 ALA 29 3HB ALA 29 8.416 -1.215 1.279 239 HB2 ALA 29 1HB ALA 29 6.667 -1.057 1.124 240 HB3 ALA 29 2HB ALA 29 7.457 -2.579 0.709 241 H ALA 30 H ALA 30 9.732 -1.638 3.281 242 HA ALA 30 HA ALA 30 10.965 -4.126 2.891 243 HB1 ALA 30 3HB ALA 30 12.930 -3.143 3.945 244 HB2 ALA 30 1HB ALA 30 11.940 -1.830 4.584 245 HB3 ALA 30 2HB ALA 30 12.169 -1.993 2.842 246 H THR 31 H THR 31 9.665 -2.661 5.804 247 HA THR 31 HA THR 31 10.618 -4.565 7.653 248 HB THR 31 HB THR 31 8.069 -2.941 7.833 249 HG1 THR 31 HG1 THR 31 10.722 -2.217 7.741 250 HG21 THR 31 3HG2 THR 31 8.431 -4.597 9.635 251 HG22 THR 31 1HG2 THR 31 8.572 -2.946 10.241 252 HG23 THR 31 2HG2 THR 31 10.023 -3.901 9.942 253 H ILE 32 H ILE 32 7.575 -4.229 5.882 254 HA ILE 32 HA ILE 32 6.383 -6.560 6.959 255 HB ILE 32 HB ILE 32 5.659 -4.776 4.640 256 HG12 ILE 32 1HG1 ILE 32 5.460 -3.768 6.827 257 HG13 ILE 32 2HG1 ILE 32 3.870 -4.023 6.128 258 HG21 ILE 32 1HG2 ILE 32 4.003 -7.043 5.721 259 HG22 ILE 32 2HG2 ILE 32 4.778 -6.987 4.138 260 HG23 ILE 32 3HG2 ILE 32 3.486 -5.852 4.529 261 HD11 ILE 32 3HD1 ILE 32 5.166 -5.673 8.306 262 HD12 ILE 32 1HD1 ILE 32 3.597 -6.021 7.561 263 HD13 ILE 32 2HD1 ILE 32 3.837 -4.534 8.473 264 H GLN 33 H GLN 33 8.185 -5.933 4.003 265 HA GLN 33 HA GLN 33 7.843 -8.352 2.672 266 HB2 GLN 33 1HB GLN 33 10.368 -6.701 2.918 267 HB3 GLN 33 2HB GLN 33 10.153 -8.025 1.791 268 HG2 GLN 33 1HG GLN 33 8.384 -6.773 0.661 269 HG3 GLN 33 2HG GLN 33 8.586 -5.453 1.812 270 HE21 GLN 33 2HE2 GLN 33 11.197 -7.349 0.468 271 HE22 GLN 33 1HE2 GLN 33 11.917 -6.074 -0.442 272 H SER 34 H SER 34 10.155 -7.479 5.171 273 HA SER 34 HA SER 34 11.509 -9.911 5.342 274 HB2 SER 34 1HB SER 34 11.047 -7.821 7.482 275 HB3 SER 34 2HB SER 34 12.277 -9.089 7.535 276 HG SER 34 HG SER 34 12.109 -6.847 5.796 277 H GLN 35 H GLN 35 8.620 -8.768 7.016 278 HA GLN 35 HA GLN 35 8.425 -11.004 8.762 279 HB2 GLN 35 1HB GLN 35 6.417 -8.880 8.037 280 HB3 GLN 35 2HB GLN 35 6.159 -10.098 9.282 281 HG2 GLN 35 1HG GLN 35 8.075 -9.260 10.528 282 HG3 GLN 35 2HG GLN 35 8.383 -8.069 9.266 283 HE21 GLN 35 2HE2 GLN 35 8.187 -6.406 10.763 284 HE22 GLN 35 1HE2 GLN 35 6.639 -5.903 11.355 285 H ARG 36 H ARG 36 7.186 -10.400 5.553 286 HA ARG 36 HA ARG 36 5.769 -12.939 5.779 287 HB2 ARG 36 1HB ARG 36 5.471 -10.787 3.668 288 HB3 ARG 36 2HB ARG 36 4.785 -12.389 3.464 289 HG2 ARG 36 1HG ARG 36 2.995 -11.109 4.275 290 HG3 ARG 36 2HG ARG 36 3.585 -11.949 5.708 291 HD2 ARG 36 1HD ARG 36 4.997 -9.858 6.114 292 HD3 ARG 36 2HD ARG 36 3.984 -9.090 4.900 293 HE ARG 36 HE ARG 36 3.175 -10.031 7.545 294 HH11 ARG 36 1HH1 ARG 36 1.934 -8.560 4.546 295 HH12 ARG 36 2HH1 ARG 36 0.852 -7.543 5.419 296 HH21 ARG 36 1HH2 ARG 36 1.705 -8.561 8.622 297 HH22 ARG 36 2HH2 ARG 36 0.748 -7.492 7.687 298 H GLY 37 H GLY 37 8.690 -12.162 5.248 299 HA2 GLY 37 1HA GLY 37 10.466 -13.448 4.561 300 HA3 GLY 37 2HA GLY 37 9.312 -14.679 4.088 301 H ASP 38 H ASP 38 9.207 -11.439 2.778 302 HA ASP 38 HA ASP 38 9.950 -12.638 0.205 303 HB2 ASP 38 1HB ASP 38 7.640 -11.729 0.284 304 HB3 ASP 38 2HB ASP 38 8.320 -10.133 0.607 305 H TYR 39 H TYR 39 11.699 -11.983 -0.759 306 HA TYR 39 HA TYR 39 12.611 -9.276 -0.249 307 HB2 TYR 39 1HB TYR 39 14.307 -11.792 -0.224 308 HB3 TYR 39 2HB TYR 39 14.993 -10.188 -0.459 309 HD1 TYR 39 HD1 TYR 39 14.936 -8.534 1.339 310 HD2 TYR 39 HD2 TYR 39 13.521 -12.496 1.957 311 HE1 TYR 39 HE1 TYR 39 14.987 -8.163 3.762 312 HE2 TYR 39 HE2 TYR 39 13.568 -12.131 4.390 313 HH TYR 39 HH TYR 39 13.947 -9.036 5.742 314 H ASN 40 H ASN 40 10.949 -10.409 -2.250 315 HA ASN 40 HA ASN 40 12.681 -10.454 -4.591 316 HB2 ASN 40 1HB ASN 40 9.694 -10.914 -4.385 317 HB3 ASN 40 2HB ASN 40 10.622 -10.976 -5.880 318 HD21 ASN 40 2HD2 ASN 40 9.661 -12.634 -3.047 319 HD22 ASN 40 1HD2 ASN 40 10.447 -14.134 -3.397 320 H GLY 41 H GLY 41 10.119 -8.638 -3.066 321 HA2 GLY 41 1HA GLY 41 9.769 -6.360 -3.118 322 HA3 GLY 41 2HA GLY 41 11.168 -6.213 -4.157 323 H LYS 42 H LYS 42 8.645 -8.345 -5.146 324 HA LYS 42 HA LYS 42 7.965 -6.403 -7.218 325 HB2 LYS 42 1HB LYS 42 7.877 -9.384 -7.169 326 HB3 LYS 42 2HB LYS 42 6.822 -8.505 -8.265 327 HG2 LYS 42 1HG LYS 42 8.773 -7.405 -9.245 328 HG3 LYS 42 2HG LYS 42 9.818 -8.310 -8.152 329 HD2 LYS 42 1HD LYS 42 9.315 -10.348 -9.182 330 HD3 LYS 42 2HD LYS 42 7.900 -9.685 -10.003 331 HE2 LYS 42 1HE LYS 42 10.731 -8.815 -10.530 332 HE3 LYS 42 2HE LYS 42 9.896 -10.055 -11.460 333 HZ1 LYS 42 3HZ LYS 42 8.965 -7.214 -11.213 334 HZ2 LYS 42 1HZ LYS 42 8.246 -8.445 -12.097 335 HZ3 LYS 42 2HZ LYS 42 9.751 -7.896 -12.546 336 H VAL 43 H VAL 43 6.267 -8.939 -5.466 337 HA VAL 43 HA VAL 43 4.069 -7.067 -5.169 338 HB VAL 43 HB VAL 43 2.462 -8.985 -5.412 339 HG11 VAL 43 1HG1 VAL 43 4.159 -8.388 -7.832 340 HG12 VAL 43 2HG1 VAL 43 2.816 -7.414 -7.238 341 HG13 VAL 43 3HG1 VAL 43 2.517 -9.037 -7.870 342 HG21 VAL 43 3HG2 VAL 43 4.869 -10.440 -6.527 343 HG22 VAL 43 1HG2 VAL 43 3.202 -11.018 -6.580 344 HG23 VAL 43 2HG2 VAL 43 4.026 -10.831 -5.028 345 H LEU 44 H LEU 44 3.427 -6.816 -3.199 346 HA LEU 44 HA LEU 44 4.346 -8.749 -1.187 347 HB2 LEU 44 1HB LEU 44 5.489 -6.609 -1.064 348 HB3 LEU 44 2HB LEU 44 3.958 -5.769 -0.933 349 HG LEU 44 HG LEU 44 3.572 -6.876 1.253 350 HD11 LEU 44 1HD1 LEU 44 4.895 -8.886 0.933 351 HD12 LEU 44 2HD1 LEU 44 5.460 -8.012 2.356 352 HD13 LEU 44 3HD1 LEU 44 6.370 -7.928 0.851 353 HD21 LEU 44 3HD2 LEU 44 6.167 -5.356 1.013 354 HD22 LEU 44 1HD2 LEU 44 5.232 -5.568 2.492 355 HD23 LEU 44 2HD2 LEU 44 4.555 -4.649 1.148 356 H SER 45 H SER 45 2.759 -9.828 -0.298 357 HA SER 45 HA SER 45 0.036 -8.989 -0.536 358 HB2 SER 45 1HB SER 45 1.187 -11.335 0.980 359 HB3 SER 45 2HB SER 45 -0.452 -11.161 0.347 360 HG SER 45 HG SER 45 1.424 -12.355 -0.826 361 H ILE 46 H ILE 46 -1.013 -7.811 0.967 362 HA ILE 46 HA ILE 46 -0.003 -7.847 3.702 363 HB ILE 46 HB ILE 46 -0.717 -5.513 4.007 364 HG12 ILE 46 1HG1 ILE 46 -1.166 -5.432 1.009 365 HG13 ILE 46 2HG1 ILE 46 -2.449 -5.484 2.215 366 HG21 ILE 46 1HG2 ILE 46 1.077 -4.406 2.749 367 HG22 ILE 46 2HG2 ILE 46 1.249 -5.852 1.752 368 HG23 ILE 46 3HG2 ILE 46 1.602 -5.925 3.480 369 HD11 ILE 46 3HD1 ILE 46 -1.723 -3.330 3.086 370 HD12 ILE 46 1HD1 ILE 46 -2.101 -3.230 1.367 371 HD13 ILE 46 2HD1 ILE 46 -0.419 -3.285 1.899 372 H ARG 47 H ARG 47 -1.816 -6.859 5.135 373 HA ARG 47 HA ARG 47 -4.270 -8.356 4.550 374 HB2 ARG 47 1HB ARG 47 -3.124 -7.270 7.084 375 HB3 ARG 47 2HB ARG 47 -4.636 -8.151 6.942 376 HG2 ARG 47 1HG ARG 47 -3.523 -10.130 6.287 377 HG3 ARG 47 2HG ARG 47 -1.991 -9.263 6.094 378 HD2 ARG 47 1HD ARG 47 -3.552 -9.502 8.581 379 HD3 ARG 47 2HD ARG 47 -2.150 -10.529 8.192 380 HE ARG 47 HE ARG 47 -1.496 -7.779 7.958 381 HH11 ARG 47 1HH1 ARG 47 -1.934 -10.251 10.466 382 HH12 ARG 47 2HH1 ARG 47 -0.971 -9.454 11.600 383 HH21 ARG 47 1HH2 ARG 47 -0.218 -6.665 9.533 384 HH22 ARG 47 2HH2 ARG 47 0.029 -7.366 11.076 385 H GLN 48 H GLN 48 -6.250 -7.283 5.462 386 HA GLN 48 HA GLN 48 -6.578 -4.611 4.600 387 HB2 GLN 48 1HB GLN 48 -8.346 -6.302 6.417 388 HB3 GLN 48 2HB GLN 48 -8.812 -4.763 5.736 389 HG2 GLN 48 1HG GLN 48 -9.858 -6.520 4.479 390 HG3 GLN 48 2HG GLN 48 -8.646 -5.736 3.476 391 HE21 GLN 48 2HE2 GLN 48 -8.470 -7.502 2.111 392 HE22 GLN 48 1HE2 GLN 48 -7.698 -8.961 2.574 393 H ASP 49 H ASP 49 -5.888 -6.163 7.591 394 HA ASP 49 HA ASP 49 -6.058 -4.033 9.393 395 HB2 ASP 49 1HB ASP 49 -5.797 -6.283 10.207 396 HB3 ASP 49 2HB ASP 49 -4.252 -6.455 9.380 397 H ASP 50 H ASP 50 -3.434 -5.074 7.286 398 HA ASP 50 HA ASP 50 -1.482 -3.293 8.324 399 HB2 ASP 50 1HB ASP 50 -1.618 -4.577 5.584 400 HB3 ASP 50 2HB ASP 50 -0.223 -3.708 6.203 401 H LEU 51 H LEU 51 -3.730 -3.131 5.637 402 HA LEU 51 HA LEU 51 -2.946 -0.618 4.652 403 HB2 LEU 51 1HB LEU 51 -4.370 -2.296 3.441 404 HB3 LEU 51 2HB LEU 51 -5.684 -1.923 4.526 405 HG LEU 51 HG LEU 51 -4.496 0.165 2.691 406 HD11 LEU 51 1HD1 LEU 51 -6.290 -0.350 1.112 407 HD12 LEU 51 2HD1 LEU 51 -6.763 -1.727 2.106 408 HD13 LEU 51 3HD1 LEU 51 -5.184 -1.704 1.318 409 HD21 LEU 51 3HD2 LEU 51 -7.233 -0.103 3.958 410 HD22 LEU 51 1HD2 LEU 51 -6.699 1.218 2.917 411 HD23 LEU 51 2HD2 LEU 51 -5.953 0.985 4.499 412 H ARG 52 H ARG 52 -5.288 -1.556 7.095 413 HA ARG 52 HA ARG 52 -6.352 0.994 7.675 414 HB2 ARG 52 1HB ARG 52 -7.360 -1.117 8.459 415 HB3 ARG 52 2HB ARG 52 -5.977 -1.381 9.509 416 HG2 ARG 52 1HG ARG 52 -6.562 0.692 10.733 417 HG3 ARG 52 2HG ARG 52 -8.012 0.827 9.738 418 HD2 ARG 52 1HD ARG 52 -8.500 -0.215 11.901 419 HD3 ARG 52 2HD ARG 52 -8.801 -1.328 10.572 420 HE ARG 52 HE ARG 52 -6.725 -2.425 11.087 421 HH11 ARG 52 1HH1 ARG 52 -7.965 -0.272 13.611 422 HH12 ARG 52 2HH1 ARG 52 -7.146 -1.065 14.864 423 HH21 ARG 52 1HH2 ARG 52 -5.594 -3.521 12.843 424 HH22 ARG 52 2HH2 ARG 52 -5.773 -2.924 14.422 425 H THR 53 H THR 53 -3.539 -0.723 8.868 426 HA THR 53 HA THR 53 -2.785 1.101 10.882 427 HB THR 53 HB THR 53 -1.131 -0.916 9.330 428 HG1 THR 53 HG1 THR 53 -2.745 -2.022 10.365 429 HG21 THR 53 3HG2 THR 53 0.353 -0.902 11.299 430 HG22 THR 53 1HG2 THR 53 -0.636 0.358 12.037 431 HG23 THR 53 2HG2 THR 53 0.271 0.698 10.563 432 H LEU 54 H LEU 54 -1.950 0.763 7.466 433 HA LEU 54 HA LEU 54 0.013 2.757 7.286 434 HB2 LEU 54 1HB LEU 54 -1.956 1.763 5.243 435 HB3 LEU 54 2HB LEU 54 -0.653 2.872 4.873 436 HG LEU 54 HG LEU 54 -0.286 0.073 5.939 437 HD11 LEU 54 1HD1 LEU 54 0.130 1.199 3.168 438 HD12 LEU 54 2HD1 LEU 54 -1.154 0.088 3.642 439 HD13 LEU 54 3HD1 LEU 54 0.527 -0.436 3.693 440 HD21 LEU 54 3HD2 LEU 54 2.055 0.466 5.368 441 HD22 LEU 54 1HD2 LEU 54 1.487 1.563 6.621 442 HD23 LEU 54 2HD2 LEU 54 1.674 2.137 4.966 443 H ALA 55 H ALA 55 -3.463 2.918 7.033 444 HA ALA 55 HA ALA 55 -3.739 5.575 6.246 445 HB1 ALA 55 3HB ALA 55 -5.587 3.968 6.266 446 HB2 ALA 55 1HB ALA 55 -6.004 5.435 7.150 447 HB3 ALA 55 2HB ALA 55 -5.569 3.968 8.029 448 H VAL 56 H VAL 56 -3.071 4.185 9.373 449 HA VAL 56 HA VAL 56 -3.600 6.520 10.909 450 HB VAL 56 HB VAL 56 -1.826 4.144 11.572 451 HG11 VAL 56 1HG1 VAL 56 -2.140 4.801 13.916 452 HG12 VAL 56 2HG1 VAL 56 -3.022 6.234 13.383 453 HG13 VAL 56 3HG1 VAL 56 -1.314 6.051 12.985 454 HG21 VAL 56 3HG2 VAL 56 -3.753 3.308 12.852 455 HG22 VAL 56 1HG2 VAL 56 -4.116 3.451 11.133 456 HG23 VAL 56 2HG2 VAL 56 -4.716 4.661 12.263 457 H ILE 57 H ILE 57 -0.688 5.056 9.568 458 HA ILE 57 HA ILE 57 1.212 6.840 10.663 459 HB ILE 57 HB ILE 57 1.544 5.466 7.990 460 HG12 ILE 57 1HG1 ILE 57 1.971 4.262 10.750 461 HG13 ILE 57 2HG1 ILE 57 0.729 3.844 9.560 462 HG21 ILE 57 1HG2 ILE 57 3.525 6.243 10.136 463 HG22 ILE 57 2HG2 ILE 57 3.282 7.062 8.596 464 HG23 ILE 57 3HG2 ILE 57 3.918 5.416 8.628 465 HD11 ILE 57 3HD1 ILE 57 2.396 3.012 8.038 466 HD12 ILE 57 1HD1 ILE 57 2.545 2.203 9.598 467 HD13 ILE 57 2HD1 ILE 57 3.681 3.476 9.148 468 H TYR 58 H TYR 58 -0.465 6.810 7.557 469 HA TYR 58 HA TYR 58 0.970 9.210 6.769 470 HB2 TYR 58 1HB TYR 58 -0.991 7.637 5.106 471 HB3 TYR 58 2HB TYR 58 0.186 8.817 4.531 472 HD1 TYR 58 HD2 TYR 58 2.617 7.994 6.028 473 HD2 TYR 58 HD1 TYR 58 -0.351 5.629 4.126 474 HE1 TYR 58 HE2 TYR 58 4.213 6.121 5.841 475 HE2 TYR 58 HE1 TYR 58 1.241 3.781 3.939 476 HH TYR 58 HH TYR 58 4.173 3.736 5.670 477 H ASP 59 H ASP 59 -1.482 8.829 8.641 478 HA ASP 59 HA ASP 59 -3.348 9.907 9.255 479 HB2 ASP 59 1HB ASP 59 -1.718 11.746 9.611 480 HB3 ASP 59 2HB ASP 59 -1.985 12.301 7.966 481 H GLN 60 H GLN 60 -4.239 8.510 7.643 482 HA GLN 60 HA GLN 60 -5.944 10.047 5.816 483 HB2 GLN 60 1HB GLN 60 -4.744 7.341 5.163 484 HB3 GLN 60 2HB GLN 60 -5.741 8.322 4.110 485 HG2 GLN 60 1HG GLN 60 -3.024 9.196 5.047 486 HG3 GLN 60 2HG GLN 60 -3.253 8.195 3.628 487 HE21 GLN 60 2HE2 GLN 60 -5.494 10.838 4.436 488 HE22 GLN 60 1HE2 GLN 60 -5.005 11.843 3.149 489 H SER 61 H SER 61 -7.870 8.580 5.247 490 HA SER 61 HA SER 61 -8.447 6.769 7.439 491 HB2 SER 61 1HB SER 61 -10.790 6.920 6.480 492 HB3 SER 61 2HB SER 61 -10.150 8.456 7.065 493 HG SER 61 HG SER 61 -10.885 8.968 5.159 494 HA PRO 62 HA PRO 62 -7.698 3.083 5.097 495 HB2 PRO 62 1HB PRO 62 -10.620 2.487 5.397 496 HB3 PRO 62 2HB PRO 62 -9.234 1.416 5.634 497 HG2 PRO 62 1HG PRO 62 -10.397 2.462 7.754 498 HG3 PRO 62 2HG PRO 62 -8.628 2.435 7.651 499 HD2 PRO 62 1HD PRO 62 -10.507 4.728 7.262 500 HD3 PRO 62 2HD PRO 62 -8.899 4.695 8.015 501 H SER 63 H SER 63 -10.790 4.618 4.127 502 HA SER 63 HA SER 63 -10.666 3.469 1.554 503 HB2 SER 63 1HB SER 63 -12.816 4.148 2.580 504 HB3 SER 63 2HB SER 63 -12.348 5.840 2.391 505 HG SER 63 HG SER 63 -11.997 4.593 0.070 506 H VAL 64 H VAL 64 -9.685 6.648 2.813 507 HA VAL 64 HA VAL 64 -9.128 7.712 0.234 508 HB VAL 64 HB VAL 64 -8.086 8.572 2.960 509 HG11 VAL 64 1HG1 VAL 64 -7.444 10.683 1.902 510 HG12 VAL 64 2HG1 VAL 64 -7.953 10.068 0.332 511 HG13 VAL 64 3HG1 VAL 64 -6.579 9.335 1.160 512 HG21 VAL 64 3HG2 VAL 64 -9.737 10.381 2.729 513 HG22 VAL 64 1HG2 VAL 64 -10.488 8.785 2.742 514 HG23 VAL 64 2HG2 VAL 64 -10.300 9.657 1.222 515 H LEU 65 H LEU 65 -7.299 5.975 2.622 516 HA LEU 65 HA LEU 65 -4.770 6.161 1.445 517 HB2 LEU 65 1HB LEU 65 -5.319 5.442 3.793 518 HB3 LEU 65 2HB LEU 65 -5.899 3.927 3.157 519 HG LEU 65 HG LEU 65 -3.656 3.831 4.248 520 HD11 LEU 65 1HD1 LEU 65 -4.274 2.108 2.708 521 HD12 LEU 65 2HD1 LEU 65 -2.549 2.456 2.574 522 HD13 LEU 65 3HD1 LEU 65 -3.674 3.052 1.349 523 HD21 LEU 65 3HD2 LEU 65 -2.783 5.466 1.876 524 HD22 LEU 65 1HD2 LEU 65 -1.712 4.656 3.019 525 HD23 LEU 65 2HD2 LEU 65 -2.764 5.962 3.572 526 H THR 66 H THR 66 -7.283 3.596 1.171 527 HA THR 66 HA THR 66 -5.784 2.089 -0.662 528 HB THR 66 HB THR 66 -7.684 1.104 0.671 529 HG1 THR 66 HG1 THR 66 -7.385 0.756 -2.089 530 HG21 THR 66 3HG2 THR 66 -9.978 1.337 -0.098 531 HG22 THR 66 1HG2 THR 66 -9.451 2.425 -1.391 532 HG23 THR 66 2HG2 THR 66 -9.297 2.926 0.284 533 H GLU 67 H GLU 67 -8.062 4.750 -1.160 534 HA GLU 67 HA GLU 67 -8.360 4.376 -3.908 535 HB2 GLU 67 1HB GLU 67 -8.699 6.798 -2.169 536 HB3 GLU 67 2HB GLU 67 -8.920 6.887 -3.912 537 HG2 GLU 67 1HG GLU 67 -10.432 5.035 -2.079 538 HG3 GLU 67 2HG GLU 67 -11.029 6.587 -2.659 539 H GLN 68 H GLN 68 -5.908 6.098 -2.085 540 HA GLN 68 HA GLN 68 -4.650 7.217 -4.342 541 HB2 GLN 68 1HB GLN 68 -3.762 6.663 -1.545 542 HB3 GLN 68 2HB GLN 68 -2.667 7.357 -2.735 543 HG2 GLN 68 1HG GLN 68 -4.248 9.237 -3.021 544 HG3 GLN 68 2HG GLN 68 -5.283 8.516 -1.791 545 HE21 GLN 68 2HE2 GLN 68 -1.807 8.463 -1.566 546 HE22 GLN 68 1HE2 GLN 68 -1.684 9.560 -0.251 547 H LEU 69 H LEU 69 -3.973 4.314 -2.433 548 HA LEU 69 HA LEU 69 -1.768 3.436 -3.894 549 HB2 LEU 69 1HB LEU 69 -3.740 2.062 -2.132 550 HB3 LEU 69 2HB LEU 69 -2.647 1.080 -3.079 551 HG LEU 69 HG LEU 69 -1.899 1.430 -0.752 552 HD11 LEU 69 1HD1 LEU 69 -0.273 0.928 -2.479 553 HD12 LEU 69 2HD1 LEU 69 0.415 2.013 -1.270 554 HD13 LEU 69 3HD1 LEU 69 -0.089 2.646 -2.832 555 HD21 LEU 69 3HD2 LEU 69 -0.994 3.587 -0.044 556 HD22 LEU 69 1HD2 LEU 69 -2.714 3.718 -0.411 557 HD23 LEU 69 2HD2 LEU 69 -1.518 4.313 -1.562 558 H ILE 70 H ILE 70 -5.188 2.826 -4.470 559 HA ILE 70 HA ILE 70 -4.717 1.129 -6.706 560 HB ILE 70 HB ILE 70 -7.194 2.638 -5.835 561 HG12 ILE 70 1HG1 ILE 70 -6.457 -0.283 -5.607 562 HG13 ILE 70 2HG1 ILE 70 -6.392 0.893 -4.300 563 HG21 ILE 70 1HG2 ILE 70 -7.319 2.223 -8.236 564 HG22 ILE 70 2HG2 ILE 70 -8.450 1.173 -7.379 565 HG23 ILE 70 3HG2 ILE 70 -6.918 0.526 -7.980 566 HD11 ILE 70 3HD1 ILE 70 -8.805 1.179 -4.444 567 HD12 ILE 70 1HD1 ILE 70 -8.367 -0.503 -4.152 568 HD13 ILE 70 2HD1 ILE 70 -8.865 0.006 -5.762 569 H SER 71 H SER 71 -5.166 4.588 -6.277 570 HA SER 71 HA SER 71 -5.512 5.318 -8.957 571 HB2 SER 71 1HB SER 71 -5.905 6.860 -7.044 572 HB3 SER 71 2HB SER 71 -4.177 6.888 -6.721 573 HG SER 71 HG SER 71 -4.188 8.518 -8.015 574 H TRP 72 H TRP 72 -2.590 4.836 -7.011 575 HA TRP 72 HA TRP 72 -0.773 5.606 -9.082 576 HB2 TRP 72 1HB TRP 72 -0.262 3.926 -6.626 577 HB3 TRP 72 2HB TRP 72 0.968 4.693 -7.625 578 HD1 TRP 72 HD1 TRP 72 -0.749 7.550 -7.714 579 HE1 TRP 72 HE1 TRP 72 -0.595 9.048 -5.626 580 HE3 TRP 72 HE3 TRP 72 0.803 4.066 -4.327 581 HZ2 TRP 72 HZ2 TRP 72 0.104 8.795 -2.916 582 HZ3 TRP 72 HZ3 TRP 72 1.203 4.778 -2.000 583 HH2 TRP 72 HH2 TRP 72 0.860 7.095 -1.314 584 H GLY 73 H GLY 73 -2.568 2.793 -8.494 585 HA2 GLY 73 1HA GLY 73 -2.723 0.891 -9.821 586 HA3 GLY 73 2HA GLY 73 -1.267 1.393 -10.670 587 H VAL 74 H VAL 74 -0.903 1.550 -7.378 588 HA VAL 74 HA VAL 74 0.944 -0.670 -7.345 589 HB VAL 74 HB VAL 74 0.013 1.121 -5.063 590 HG11 VAL 74 1HG1 VAL 74 2.397 -0.724 -5.220 591 HG12 VAL 74 2HG1 VAL 74 0.942 -1.003 -4.271 592 HG13 VAL 74 3HG1 VAL 74 2.004 0.348 -3.870 593 HG21 VAL 74 3HG2 VAL 74 2.510 1.276 -6.740 594 HG22 VAL 74 1HG2 VAL 74 2.113 2.318 -5.378 595 HG23 VAL 74 2HG2 VAL 74 1.134 2.365 -6.848 596 H LEU 75 H LEU 75 -2.255 0.060 -6.184 597 HA LEU 75 HA LEU 75 -2.533 -2.736 -5.373 598 HB2 LEU 75 1HB LEU 75 -2.894 -1.107 -3.543 599 HB3 LEU 75 2HB LEU 75 -4.132 -0.317 -4.493 600 HG LEU 75 HG LEU 75 -5.533 -2.350 -4.347 601 HD11 LEU 75 1HD1 LEU 75 -3.355 -3.390 -2.537 602 HD12 LEU 75 2HD1 LEU 75 -3.774 -4.027 -4.126 603 HD13 LEU 75 3HD1 LEU 75 -4.928 -4.139 -2.800 604 HD21 LEU 75 3HD2 LEU 75 -5.796 -0.568 -2.701 605 HD22 LEU 75 1HD2 LEU 75 -4.566 -1.319 -1.685 606 HD23 LEU 75 2HD2 LEU 75 -6.095 -2.148 -1.981 607 H ASP 76 H ASP 76 -4.353 -3.814 -6.136 608 HA ASP 76 HA ASP 76 -5.100 -3.159 -8.793 609 HB2 ASP 76 1HB ASP 76 -4.780 -5.469 -8.112 610 HB3 ASP 76 2HB ASP 76 -6.055 -5.325 -6.913 611 H ALA 77 H ALA 77 -7.142 -2.667 -9.629 612 HA ALA 77 HA ALA 77 -8.599 -0.788 -8.107 613 HB1 ALA 77 3HB ALA 77 -9.911 -0.443 -10.107 614 HB2 ALA 77 1HB ALA 77 -9.276 -1.927 -10.811 615 HB3 ALA 77 2HB ALA 77 -8.201 -0.566 -10.522 616 H ASP 78 H ASP 78 -9.168 -4.192 -8.748 617 HA ASP 78 HA ASP 78 -11.935 -3.953 -7.936 618 HB2 ASP 78 1HB ASP 78 -11.302 -5.615 -9.647 619 HB3 ASP 78 2HB ASP 78 -10.281 -6.425 -8.464 620 H ALA 79 H ALA 79 -8.918 -4.495 -6.554 621 HA ALA 79 HA ALA 79 -9.465 -6.029 -4.313 622 HB1 ALA 79 3HB ALA 79 -7.200 -5.528 -5.082 623 HB2 ALA 79 1HB ALA 79 -7.406 -5.182 -3.366 624 HB3 ALA 79 2HB ALA 79 -7.390 -3.864 -4.538 625 H ARG 80 H ARG 80 -10.268 -2.709 -4.866 626 HA ARG 80 HA ARG 80 -10.341 -1.749 -2.236 627 HB2 ARG 80 1HB ARG 80 -11.537 0.133 -2.934 628 HB3 ARG 80 2HB ARG 80 -10.783 -0.380 -4.429 629 HG2 ARG 80 1HG ARG 80 -13.631 -1.005 -3.641 630 HG3 ARG 80 2HG ARG 80 -13.148 0.337 -4.672 631 HD2 ARG 80 1HD ARG 80 -12.394 -1.125 -6.357 632 HD3 ARG 80 2HD ARG 80 -12.463 -2.514 -5.275 633 HE ARG 80 HE ARG 80 -15.007 -1.631 -5.349 634 HH11 ARG 80 1HH1 ARG 80 -12.746 -2.234 -7.971 635 HH12 ARG 80 2HH1 ARG 80 -13.858 -3.086 -8.943 636 HH21 ARG 80 1HH2 ARG 80 -16.538 -2.789 -6.619 637 HH22 ARG 80 2HH2 ARG 80 -16.108 -3.426 -8.137 638 H ARG 81 H ARG 81 -12.355 -4.142 -3.596 639 HA ARG 81 HA ARG 81 -14.740 -3.790 -2.162 640 HB2 ARG 81 1HB ARG 81 -13.428 -6.309 -3.178 641 HB3 ARG 81 2HB ARG 81 -14.984 -6.324 -2.367 642 HG2 ARG 81 1HG ARG 81 -15.868 -4.826 -4.122 643 HG3 ARG 81 2HG ARG 81 -14.314 -4.922 -4.952 644 HD2 ARG 81 1HD ARG 81 -16.051 -7.312 -4.292 645 HD3 ARG 81 2HD ARG 81 -16.085 -6.472 -5.837 646 HE ARG 81 HE ARG 81 -13.633 -7.088 -5.955 647 HH11 ARG 81 1HH1 ARG 81 -15.946 -9.203 -4.213 648 HH12 ARG 81 2HH1 ARG 81 -15.108 -10.624 -4.611 649 HH21 ARG 81 1HH2 ARG 81 -12.585 -8.980 -6.483 650 HH22 ARG 81 2HH2 ARG 81 -13.096 -10.530 -5.948 651 H ALA 82 H ALA 82 -11.658 -4.712 -1.014 652 HA ALA 82 HA ALA 82 -12.537 -6.056 1.359 653 HB1 ALA 82 3HB ALA 82 -9.882 -4.734 0.792 654 HB2 ALA 82 1HB ALA 82 -10.290 -6.401 0.385 655 HB3 ALA 82 2HB ALA 82 -10.224 -5.900 2.069 656 H VAL 83 H VAL 83 -12.188 -2.780 0.412 657 HA VAL 83 HA VAL 83 -12.410 -1.838 3.197 658 HB VAL 83 HB VAL 83 -11.608 -0.238 0.738 659 HG11 VAL 83 1HG1 VAL 83 -12.612 1.153 2.458 660 HG12 VAL 83 2HG1 VAL 83 -10.876 1.467 2.352 661 HG13 VAL 83 3HG1 VAL 83 -11.515 0.484 3.667 662 HG21 VAL 83 3HG2 VAL 83 -9.867 -1.356 2.940 663 HG22 VAL 83 1HG2 VAL 83 -9.324 -0.280 1.650 664 HG23 VAL 83 2HG2 VAL 83 -9.908 -1.903 1.265 665 H ALA 84 H ALA 84 -13.797 -1.743 0.017 666 HA ALA 84 HA ALA 84 -16.045 -0.096 0.832 667 HB1 ALA 84 3HB ALA 84 -16.688 -0.344 -1.564 668 HB2 ALA 84 1HB ALA 84 -15.310 -1.417 -1.792 669 HB3 ALA 84 2HB ALA 84 -15.047 0.274 -1.376 670 H SER 85 H SER 85 -18.075 -1.369 -0.627 671 HA SER 85 HA SER 85 -18.411 -3.783 0.947 672 HB2 SER 85 1HB SER 85 -20.447 -2.183 -0.628 673 HB3 SER 85 2HB SER 85 -20.800 -3.553 0.428 674 HG SER 85 HG SER 85 -19.963 -0.954 1.073 675 H HIS 86 H HIS 86 -18.776 -5.753 0.023 676 HA HIS 86 HA HIS 86 -17.791 -6.200 -2.644 677 HB2 HIS 86 1HB HIS 86 -19.193 -8.121 -0.759 678 HB3 HIS 86 2HB HIS 86 -18.346 -8.562 -2.230 679 HD1 HIS 86 HD1 HIS 86 -17.801 -7.746 1.361 680 HD2 HIS 86 HD2 HIS 86 -15.540 -8.476 -2.045 681 HE1 HIS 86 HE1 HIS 86 -15.452 -8.215 2.157 682 H ASP 87 H ASP 87 -20.857 -6.832 -1.033 683 HA ASP 87 HA ASP 87 -22.320 -6.353 -3.534 684 HB2 ASP 87 1HB ASP 87 -23.090 -8.421 -1.433 685 HB3 ASP 87 2HB ASP 87 -23.866 -8.150 -2.977 686 H GLU 88 H GLU 88 -24.864 -6.459 -2.393 687 HA GLU 88 HA GLU 88 -24.920 -4.119 -0.740 688 HB2 GLU 88 1HB GLU 88 -27.269 -6.003 -0.855 689 HB3 GLU 88 2HB GLU 88 -27.264 -4.255 -0.837 690 HG2 GLU 88 1HG GLU 88 -28.001 -4.670 -2.946 691 HG3 GLU 88 2HG GLU 88 -26.268 -4.548 -3.249 692 H LEU 89 H LEU 89 -26.218 -7.336 -0.221 693 HA LEU 89 HA LEU 89 -24.690 -7.904 2.096 694 HB2 LEU 89 1HB LEU 89 -27.709 -7.531 2.307 695 HB3 LEU 89 2HB LEU 89 -26.767 -8.430 3.468 696 HG LEU 89 HG LEU 89 -26.498 -5.463 2.943 697 HD11 LEU 89 1HD1 LEU 89 -28.633 -5.998 3.949 698 HD12 LEU 89 2HD1 LEU 89 -27.576 -5.225 5.133 699 HD13 LEU 89 3HD1 LEU 89 -27.834 -6.968 5.184 700 HD21 LEU 89 3HD2 LEU 89 -25.321 -7.203 5.111 701 HD22 LEU 89 1HD2 LEU 89 -25.155 -5.454 4.983 702 HD23 LEU 89 2HD2 LEU 89 -24.422 -6.498 3.763 Start of MODEL 6 1 H1 MET 1 1H MET 1 -19.691 -18.705 3.105 2 H2 MET 1 2H MET 1 -19.734 -19.600 4.540 3 H3 MET 1 3H MET 1 -18.726 -20.075 3.265 4 HA MET 1 HA MET 1 -18.493 -17.549 4.730 5 HB2 MET 1 1HB MET 1 -17.882 -19.455 6.160 6 HB3 MET 1 2HB MET 1 -16.828 -20.076 4.902 7 HG2 MET 1 1HG MET 1 -15.397 -18.104 5.118 8 HG3 MET 1 2HG MET 1 -16.457 -17.477 6.376 9 HE1 MET 1 3HE MET 1 -17.186 -20.080 8.075 10 HE2 MET 1 1HE MET 1 -16.716 -18.531 8.778 11 HE3 MET 1 2HE MET 1 -15.920 -20.011 9.302 12 H GLU 2 H GLU 2 -17.518 -16.096 3.540 13 HA GLU 2 HA GLU 2 -16.228 -16.817 1.060 14 HB2 GLU 2 1HB GLU 2 -16.673 -14.140 2.400 15 HB3 GLU 2 2HB GLU 2 -16.030 -14.365 0.780 16 HG2 GLU 2 1HG GLU 2 -18.119 -15.272 0.021 17 HG3 GLU 2 2HG GLU 2 -18.769 -15.257 1.659 18 HA PRO 3 HA PRO 3 -12.242 -16.771 2.990 19 HB2 PRO 3 1HB PRO 3 -10.659 -16.437 0.801 20 HB3 PRO 3 2HB PRO 3 -11.461 -17.959 1.165 21 HG2 PRO 3 1HG PRO 3 -12.267 -15.831 -0.774 22 HG3 PRO 3 2HG PRO 3 -12.318 -17.590 -0.954 23 HD2 PRO 3 1HD PRO 3 -14.509 -16.087 -0.339 24 HD3 PRO 3 2HD PRO 3 -14.310 -17.778 0.169 25 HA PRO 4 HA PRO 4 -11.270 -12.490 3.842 26 HB2 PRO 4 1HB PRO 4 -8.417 -13.339 3.805 27 HB3 PRO 4 2HB PRO 4 -9.318 -12.503 5.074 28 HG2 PRO 4 1HG PRO 4 -8.701 -15.077 5.323 29 HG3 PRO 4 2HG PRO 4 -10.270 -14.461 5.865 30 HD2 PRO 4 1HD PRO 4 -9.607 -16.037 3.418 31 HD3 PRO 4 2HD PRO 4 -11.033 -16.105 4.472 32 HA PRO 5 HA PRO 5 -10.316 -11.094 -0.381 33 HB2 PRO 5 1HB PRO 5 -10.471 -8.459 0.968 34 HB3 PRO 5 2HB PRO 5 -11.326 -9.027 -0.473 35 HG2 PRO 5 1HG PRO 5 -12.612 -8.766 1.838 36 HG3 PRO 5 2HG PRO 5 -12.942 -10.147 0.776 37 HD2 PRO 5 1HD PRO 5 -11.297 -10.035 3.275 38 HD3 PRO 5 2HD PRO 5 -12.429 -11.287 2.708 39 H LYS 6 H LYS 6 -8.257 -11.436 -0.832 40 HA LYS 6 HA LYS 6 -6.070 -10.461 0.780 41 HB2 LYS 6 1HB LYS 6 -6.042 -11.859 -1.888 42 HB3 LYS 6 2HB LYS 6 -4.680 -11.680 -0.792 43 HG2 LYS 6 1HG LYS 6 -5.774 -13.110 0.840 44 HG3 LYS 6 2HG LYS 6 -7.187 -13.244 -0.202 45 HD2 LYS 6 1HD LYS 6 -4.399 -14.206 -0.868 46 HD3 LYS 6 2HD LYS 6 -5.741 -15.232 -0.367 47 HE2 LYS 6 1HE LYS 6 -5.644 -13.549 -2.878 48 HE3 LYS 6 2HE LYS 6 -5.394 -15.285 -2.797 49 HZ1 LYS 6 3HZ LYS 6 -7.656 -15.574 -2.089 50 HZ2 LYS 6 1HZ LYS 6 -7.634 -14.659 -3.499 51 HZ3 LYS 6 2HZ LYS 6 -7.917 -13.912 -2.023 52 H LEU 7 H LEU 7 -4.869 -8.663 0.322 53 HA LEU 7 HA LEU 7 -5.596 -7.252 -2.121 54 HB2 LEU 7 1HB LEU 7 -4.338 -6.189 0.401 55 HB3 LEU 7 2HB LEU 7 -4.765 -5.233 -1.004 56 HG LEU 7 HG LEU 7 -6.631 -6.601 0.923 57 HD11 LEU 7 1HD1 LEU 7 -6.166 -3.708 0.255 58 HD12 LEU 7 2HD1 LEU 7 -5.728 -4.537 1.752 59 HD13 LEU 7 3HD1 LEU 7 -7.426 -4.317 1.326 60 HD21 LEU 7 3HD2 LEU 7 -7.294 -5.117 -1.615 61 HD22 LEU 7 1HD2 LEU 7 -8.460 -5.643 -0.401 62 HD23 LEU 7 2HD2 LEU 7 -7.537 -6.838 -1.310 63 H VAL 8 H VAL 8 -4.034 -6.674 -3.517 64 HA VAL 8 HA VAL 8 -1.408 -7.839 -2.948 65 HB VAL 8 HB VAL 8 -2.684 -7.453 -5.670 66 HG11 VAL 8 1HG1 VAL 8 -0.150 -8.865 -4.849 67 HG12 VAL 8 2HG1 VAL 8 -0.252 -7.338 -5.729 68 HG13 VAL 8 3HG1 VAL 8 -0.827 -8.831 -6.477 69 HG21 VAL 8 3HG2 VAL 8 -2.883 -9.903 -5.709 70 HG22 VAL 8 1HG2 VAL 8 -3.831 -9.184 -4.405 71 HG23 VAL 8 2HG2 VAL 8 -2.293 -9.966 -4.050 72 H LEU 9 H LEU 9 0.016 -6.408 -2.519 73 HA LEU 9 HA LEU 9 -0.181 -3.675 -3.508 74 HB2 LEU 9 1HB LEU 9 0.223 -4.208 -1.089 75 HB3 LEU 9 2HB LEU 9 1.728 -4.967 -1.549 76 HG LEU 9 HG LEU 9 2.496 -2.739 -2.412 77 HD11 LEU 9 1HD1 LEU 9 0.310 -1.716 -2.728 78 HD12 LEU 9 2HD1 LEU 9 1.314 -0.750 -1.649 79 HD13 LEU 9 3HD1 LEU 9 0.028 -1.758 -0.989 80 HD21 LEU 9 3HD2 LEU 9 2.979 -1.842 -0.181 81 HD22 LEU 9 1HD2 LEU 9 3.205 -3.590 -0.236 82 HD23 LEU 9 2HD2 LEU 9 1.760 -2.910 0.510 83 H ASP 10 H ASP 10 1.041 -3.103 -5.222 84 HA ASP 10 HA ASP 10 2.971 -4.997 -6.298 85 HB2 ASP 10 1HB ASP 10 1.246 -3.791 -7.706 86 HB3 ASP 10 2HB ASP 10 2.165 -2.317 -7.432 87 H LEU 11 H LEU 11 4.937 -4.895 -5.584 88 HA LEU 11 HA LEU 11 5.927 -2.699 -4.044 89 HB2 LEU 11 1HB LEU 11 7.300 -5.175 -5.055 90 HB3 LEU 11 2HB LEU 11 7.929 -4.081 -3.837 91 HG LEU 11 HG LEU 11 5.415 -5.717 -3.531 92 HD11 LEU 11 1HD1 LEU 11 8.184 -6.168 -2.455 93 HD12 LEU 11 2HD1 LEU 11 7.365 -7.146 -3.672 94 HD13 LEU 11 3HD1 LEU 11 6.755 -7.098 -2.017 95 HD21 LEU 11 3HD2 LEU 11 7.007 -4.075 -1.557 96 HD22 LEU 11 1HD2 LEU 11 5.631 -5.104 -1.158 97 HD23 LEU 11 2HD2 LEU 11 5.403 -3.688 -2.182 98 H GLU 12 H GLU 12 6.369 -3.941 -7.255 99 HA GLU 12 HA GLU 12 8.667 -2.408 -7.886 100 HB2 GLU 12 1HB GLU 12 6.657 -3.808 -9.619 101 HB3 GLU 12 2HB GLU 12 8.052 -2.975 -10.274 102 HG2 GLU 12 1HG GLU 12 8.085 -5.315 -8.388 103 HG3 GLU 12 2HG GLU 12 8.485 -5.329 -10.111 104 H ARG 13 H ARG 13 5.217 -1.982 -8.503 105 HA ARG 13 HA ARG 13 5.579 0.475 -9.844 106 HB2 ARG 13 1HB ARG 13 3.506 -0.861 -10.065 107 HB3 ARG 13 2HB ARG 13 3.104 -0.485 -8.397 108 HG2 ARG 13 1HG ARG 13 1.851 0.932 -9.935 109 HG3 ARG 13 2HG ARG 13 2.956 1.894 -8.956 110 HD2 ARG 13 1HD ARG 13 3.026 2.652 -11.247 111 HD3 ARG 13 2HD ARG 13 4.568 1.911 -10.835 112 HE ARG 13 HE ARG 13 2.470 0.436 -12.241 113 HH11 ARG 13 1HH1 ARG 13 5.919 1.425 -12.056 114 HH12 ARG 13 2HH1 ARG 13 6.316 0.776 -13.554 115 HH21 ARG 13 1HH2 ARG 13 3.057 -0.502 -14.288 116 HH22 ARG 13 2HH2 ARG 13 4.643 -0.361 -14.875 117 H LEU 14 H LEU 14 5.216 -0.373 -6.487 118 HA LEU 14 HA LEU 14 4.833 2.188 -5.409 119 HB2 LEU 14 1HB LEU 14 4.596 0.101 -4.124 120 HB3 LEU 14 2HB LEU 14 6.315 -0.182 -4.259 121 HG LEU 14 HG LEU 14 6.748 1.804 -2.872 122 HD11 LEU 14 1HD1 LEU 14 4.913 2.887 -1.691 123 HD12 LEU 14 2HD1 LEU 14 3.746 1.920 -2.592 124 HD13 LEU 14 3HD1 LEU 14 4.754 3.098 -3.434 125 HD21 LEU 14 3HD2 LEU 14 4.829 -0.174 -1.651 126 HD22 LEU 14 1HD2 LEU 14 5.968 0.847 -0.772 127 HD23 LEU 14 2HD2 LEU 14 6.561 -0.411 -1.857 128 H ALA 15 H ALA 15 7.685 0.479 -6.478 129 HA ALA 15 HA ALA 15 9.573 2.407 -5.550 130 HB1 ALA 15 3HB ALA 15 9.905 0.244 -7.630 131 HB2 ALA 15 1HB ALA 15 10.196 0.060 -5.901 132 HB3 ALA 15 2HB ALA 15 11.210 1.143 -6.855 133 H THR 16 H THR 16 7.467 2.267 -8.207 134 HA THR 16 HA THR 16 9.038 3.955 -9.953 135 HB THR 16 HB THR 16 6.102 3.287 -10.195 136 HG1 THR 16 HG1 THR 16 8.225 1.615 -10.255 137 HG21 THR 16 3HG2 THR 16 6.540 3.498 -12.592 138 HG22 THR 16 1HG2 THR 16 8.238 3.846 -12.263 139 HG23 THR 16 2HG2 THR 16 6.991 4.976 -11.740 140 H VAL 17 H VAL 17 6.798 4.293 -7.362 141 HA VAL 17 HA VAL 17 5.899 6.895 -8.217 142 HB VAL 17 HB VAL 17 5.236 5.342 -5.687 143 HG11 VAL 17 1HG1 VAL 17 3.952 7.856 -6.787 144 HG12 VAL 17 2HG1 VAL 17 4.965 7.761 -5.351 145 HG13 VAL 17 3HG1 VAL 17 3.398 6.949 -5.377 146 HG21 VAL 17 3HG2 VAL 17 3.074 4.924 -6.747 147 HG22 VAL 17 1HG2 VAL 17 4.399 4.263 -7.702 148 HG23 VAL 17 2HG2 VAL 17 3.619 5.766 -8.198 149 HA PRO 18 HA PRO 18 9.348 8.934 -6.331 150 HB2 PRO 18 1HB PRO 18 7.914 11.365 -6.040 151 HB3 PRO 18 2HB PRO 18 9.044 10.926 -7.312 152 HG2 PRO 18 1HG PRO 18 6.115 10.978 -7.374 153 HG3 PRO 18 2HG PRO 18 7.270 11.004 -8.704 154 HD2 PRO 18 1HD PRO 18 5.698 8.871 -8.032 155 HD3 PRO 18 2HD PRO 18 7.212 8.754 -8.947 156 H ALA 19 H ALA 19 9.992 9.840 -4.389 157 HA ALA 19 HA ALA 19 9.011 8.465 -2.196 158 HB1 ALA 19 3HB ALA 19 11.334 9.126 -2.527 159 HB2 ALA 19 1HB ALA 19 10.724 9.497 -0.915 160 HB3 ALA 19 2HB ALA 19 10.902 10.783 -2.107 161 H GLU 20 H GLU 20 8.017 11.644 -3.199 162 HA GLU 20 HA GLU 20 7.311 12.759 -0.730 163 HB2 GLU 20 1HB GLU 20 5.495 13.060 -3.129 164 HB3 GLU 20 2HB GLU 20 5.764 14.196 -1.827 165 HG2 GLU 20 1HG GLU 20 6.829 15.142 -3.667 166 HG3 GLU 20 2HG GLU 20 8.139 14.399 -2.750 167 H LYS 21 H LYS 21 5.431 10.654 -2.818 168 HA LYS 21 HA LYS 21 3.350 10.430 -0.775 169 HB2 LYS 21 1HB LYS 21 3.363 9.562 -3.667 170 HB3 LYS 21 2HB LYS 21 1.997 9.442 -2.571 171 HG2 LYS 21 1HG LYS 21 1.830 11.832 -2.413 172 HG3 LYS 21 2HG LYS 21 3.323 12.038 -3.324 173 HD2 LYS 21 1HD LYS 21 2.233 10.976 -5.278 174 HD3 LYS 21 2HD LYS 21 0.733 10.874 -4.353 175 HE2 LYS 21 1HE LYS 21 0.605 13.268 -4.185 176 HE3 LYS 21 2HE LYS 21 2.195 13.451 -4.916 177 HZ1 LYS 21 3HZ LYS 21 0.461 13.895 -6.534 178 HZ2 LYS 21 1HZ LYS 21 -0.232 12.385 -6.275 179 HZ3 LYS 21 2HZ LYS 21 1.281 12.499 -6.970 180 H ALA 22 H ALA 22 5.794 8.534 -2.442 181 HA ALA 22 HA ALA 22 4.631 6.075 -1.365 182 HB1 ALA 22 3HB ALA 22 5.207 6.115 -3.723 183 HB2 ALA 22 1HB ALA 22 6.110 4.881 -2.847 184 HB3 ALA 22 2HB ALA 22 6.896 6.394 -3.308 185 H GLY 23 H GLY 23 7.128 8.243 -0.593 186 HA2 GLY 23 1HA GLY 23 9.265 6.695 0.198 187 HA3 GLY 23 2HA GLY 23 8.813 8.222 0.924 188 HA PRO 24 HA PRO 24 7.696 6.347 4.798 189 HB2 PRO 24 1HB PRO 24 4.968 6.775 5.096 190 HB3 PRO 24 2HB PRO 24 6.224 7.957 5.476 191 HG2 PRO 24 1HG PRO 24 4.557 7.697 3.006 192 HG3 PRO 24 2HG PRO 24 5.018 9.160 3.894 193 HD2 PRO 24 1HD PRO 24 6.268 8.498 1.644 194 HD3 PRO 24 2HD PRO 24 7.184 9.153 3.018 195 H LEU 25 H LEU 25 5.733 5.477 2.076 196 HA LEU 25 HA LEU 25 4.572 3.165 3.323 197 HB2 LEU 25 1HB LEU 25 3.662 4.675 1.400 198 HB3 LEU 25 2HB LEU 25 4.651 3.703 0.351 199 HG LEU 25 HG LEU 25 2.402 2.681 2.087 200 HD11 LEU 25 1HD1 LEU 25 2.474 3.172 -0.879 201 HD12 LEU 25 2HD1 LEU 25 1.604 4.123 0.329 202 HD13 LEU 25 3HD1 LEU 25 1.149 2.447 0.037 203 HD21 LEU 25 3HD2 LEU 25 2.557 0.613 0.793 204 HD22 LEU 25 1HD2 LEU 25 4.074 0.942 1.632 205 HD23 LEU 25 2HD2 LEU 25 3.933 1.264 -0.098 206 H GLN 26 H GLN 26 7.151 3.873 1.031 207 HA GLN 26 HA GLN 26 8.126 1.332 0.470 208 HB2 GLN 26 1HB GLN 26 9.519 3.983 0.761 209 HB3 GLN 26 2HB GLN 26 10.378 2.530 0.292 210 HG2 GLN 26 1HG GLN 26 8.012 3.583 -1.219 211 HG3 GLN 26 2HG GLN 26 9.667 4.081 -1.560 212 HE21 GLN 26 2HE2 GLN 26 9.687 3.223 -3.570 213 HE22 GLN 26 1HE2 GLN 26 9.735 1.521 -3.869 214 H ARG 27 H ARG 27 8.883 3.488 3.127 215 HA ARG 27 HA ARG 27 10.816 1.962 4.478 216 HB2 ARG 27 1HB ARG 27 8.873 4.026 5.286 217 HB3 ARG 27 2HB ARG 27 9.648 3.123 6.565 218 HG2 ARG 27 1HG ARG 27 10.809 5.216 6.245 219 HG3 ARG 27 2HG ARG 27 11.847 3.893 5.747 220 HD2 ARG 27 1HD ARG 27 10.207 5.479 3.796 221 HD3 ARG 27 2HD ARG 27 11.808 6.000 4.304 222 HE ARG 27 HE ARG 27 11.932 3.342 3.412 223 HH11 ARG 27 1HH1 ARG 27 11.407 6.583 2.130 224 HH12 ARG 27 2HH1 ARG 27 12.116 6.277 0.618 225 HH21 ARG 27 1HH2 ARG 27 12.866 2.867 1.334 226 HH22 ARG 27 2HH2 ARG 27 12.988 4.069 0.150 227 H TYR 28 H TYR 28 7.305 1.974 4.852 228 HA TYR 28 HA TYR 28 7.222 0.045 6.905 229 HB2 TYR 28 1HB TYR 28 5.351 1.594 6.402 230 HB3 TYR 28 2HB TYR 28 5.085 0.759 4.878 231 HD1 TYR 28 HD2 TYR 28 5.143 0.197 8.546 232 HD2 TYR 28 HD1 TYR 28 3.599 -1.060 4.795 233 HE1 TYR 28 HE2 TYR 28 3.624 -1.351 9.701 234 HE2 TYR 28 HE1 TYR 28 2.071 -2.612 5.945 235 HH TYR 28 HH TYR 28 1.860 -3.731 7.996 236 H ALA 29 H ALA 29 6.787 -0.173 3.401 237 HA ALA 29 HA ALA 29 6.328 -2.914 3.212 238 HB1 ALA 29 3HB ALA 29 7.696 -1.133 1.198 239 HB2 ALA 29 1HB ALA 29 5.954 -1.342 1.365 240 HB3 ALA 29 2HB ALA 29 6.962 -2.702 0.866 241 H ALA 30 H ALA 30 9.375 -1.105 3.206 242 HA ALA 30 HA ALA 30 11.069 -3.300 2.666 243 HB1 ALA 30 3HB ALA 30 11.701 -0.774 4.189 244 HB2 ALA 30 1HB ALA 30 11.793 -0.966 2.438 245 HB3 ALA 30 2HB ALA 30 12.875 -1.884 3.484 246 H THR 31 H THR 31 9.827 -1.927 5.636 247 HA THR 31 HA THR 31 11.313 -3.544 7.374 248 HB THR 31 HB THR 31 8.653 -2.160 7.770 249 HG1 THR 31 HG1 THR 31 10.097 -0.584 7.525 250 HG21 THR 31 3HG2 THR 31 8.961 -3.944 9.449 251 HG22 THR 31 1HG2 THR 31 9.126 -2.356 10.195 252 HG23 THR 31 2HG2 THR 31 10.562 -3.314 9.831 253 H ILE 32 H ILE 32 8.114 -3.983 5.902 254 HA ILE 32 HA ILE 32 7.506 -6.421 7.171 255 HB ILE 32 HB ILE 32 6.605 -5.459 4.432 256 HG12 ILE 32 1HG1 ILE 32 5.959 -3.878 6.157 257 HG13 ILE 32 2HG1 ILE 32 4.537 -4.748 5.599 258 HG21 ILE 32 1HG2 ILE 32 6.253 -7.850 4.630 259 HG22 ILE 32 2HG2 ILE 32 4.704 -7.008 4.697 260 HG23 ILE 32 3HG2 ILE 32 5.436 -7.628 6.176 261 HD11 ILE 32 3HD1 ILE 32 6.042 -5.234 8.170 262 HD12 ILE 32 1HD1 ILE 32 4.655 -6.172 7.607 263 HD13 ILE 32 2HD1 ILE 32 4.465 -4.466 7.993 264 H GLN 33 H GLN 33 9.109 -5.749 4.087 265 HA GLN 33 HA GLN 33 9.665 -8.323 3.189 266 HB2 GLN 33 1HB GLN 33 11.325 -5.830 3.040 267 HB3 GLN 33 2HB GLN 33 11.738 -7.315 2.206 268 HG2 GLN 33 1HG GLN 33 9.174 -5.815 1.810 269 HG3 GLN 33 2HG GLN 33 10.619 -5.586 0.835 270 HE21 GLN 33 2HE2 GLN 33 9.830 -6.241 -0.993 271 HE22 GLN 33 1HE2 GLN 33 9.333 -7.828 -1.387 272 H SER 34 H SER 34 11.454 -6.317 5.435 273 HA SER 34 HA SER 34 13.639 -8.069 5.763 274 HB2 SER 34 1HB SER 34 12.681 -5.852 7.589 275 HB3 SER 34 2HB SER 34 14.300 -6.556 7.562 276 HG SER 34 HG SER 34 13.022 -4.989 5.560 277 H GLN 35 H GLN 35 10.504 -7.871 7.305 278 HA GLN 35 HA GLN 35 11.252 -9.710 9.433 279 HB2 GLN 35 1HB GLN 35 8.557 -8.573 8.686 280 HB3 GLN 35 2HB GLN 35 8.898 -9.509 10.135 281 HG2 GLN 35 1HG GLN 35 10.436 -7.745 10.882 282 HG3 GLN 35 2HG GLN 35 10.037 -6.813 9.444 283 HE21 GLN 35 2HE2 GLN 35 7.171 -7.663 9.590 284 HE22 GLN 35 1HE2 GLN 35 6.532 -6.721 10.881 285 H ARG 36 H ARG 36 10.000 -9.774 6.286 286 HA ARG 36 HA ARG 36 8.654 -12.294 6.383 287 HB2 ARG 36 1HB ARG 36 8.174 -10.401 4.796 288 HB3 ARG 36 2HB ARG 36 9.730 -10.689 4.053 289 HG2 ARG 36 1HG ARG 36 8.059 -11.644 2.672 290 HG3 ARG 36 2HG ARG 36 8.935 -12.963 3.453 291 HD2 ARG 36 1HD ARG 36 7.156 -13.315 5.005 292 HD3 ARG 36 2HD ARG 36 6.319 -11.862 4.457 293 HE ARG 36 HE ARG 36 6.809 -13.904 2.468 294 HH11 ARG 36 1HH1 ARG 36 4.501 -12.618 4.826 295 HH12 ARG 36 2HH1 ARG 36 3.116 -13.164 4.029 296 HH21 ARG 36 1HH2 ARG 36 4.892 -14.721 1.343 297 HH22 ARG 36 2HH2 ARG 36 3.342 -14.417 1.970 298 H GLY 37 H GLY 37 11.834 -11.051 5.868 299 HA2 GLY 37 1HA GLY 37 13.825 -12.248 6.099 300 HA3 GLY 37 2HA GLY 37 12.938 -13.747 5.835 301 H ASP 38 H ASP 38 11.748 -13.540 3.595 302 HA ASP 38 HA ASP 38 13.853 -12.926 1.641 303 HB2 ASP 38 1HB ASP 38 13.492 -15.333 1.729 304 HB3 ASP 38 2HB ASP 38 11.757 -15.113 1.546 305 H TYR 39 H TYR 39 13.360 -11.716 -0.031 306 HA TYR 39 HA TYR 39 11.131 -9.989 0.184 307 HB2 TYR 39 1HB TYR 39 13.047 -10.335 -2.137 308 HB3 TYR 39 2HB TYR 39 12.012 -8.952 -1.819 309 HD1 TYR 39 HD2 TYR 39 12.474 -7.476 0.107 310 HD2 TYR 39 HD1 TYR 39 15.147 -10.572 -1.035 311 HE1 TYR 39 HE2 TYR 39 14.251 -6.423 1.426 312 HE2 TYR 39 HE1 TYR 39 16.933 -9.529 0.283 313 HH TYR 39 HH TYR 39 16.314 -7.011 2.491 314 H ASN 40 H ASN 40 9.214 -10.138 -0.712 315 HA ASN 40 HA ASN 40 8.399 -12.615 -1.757 316 HB2 ASN 40 1HB ASN 40 6.975 -10.943 -0.443 317 HB3 ASN 40 2HB ASN 40 6.728 -10.117 -1.977 318 HD21 ASN 40 2HD2 ASN 40 5.279 -10.968 -3.420 319 HD22 ASN 40 1HD2 ASN 40 4.330 -12.379 -3.086 320 H GLY 41 H GLY 41 9.142 -9.570 -3.475 321 HA2 GLY 41 1HA GLY 41 10.333 -10.252 -5.564 322 HA3 GLY 41 2HA GLY 41 8.847 -11.103 -5.937 323 H LYS 42 H LYS 42 7.280 -10.066 -6.833 324 HA LYS 42 HA LYS 42 7.838 -7.333 -7.757 325 HB2 LYS 42 1HB LYS 42 5.753 -9.301 -8.700 326 HB3 LYS 42 2HB LYS 42 6.079 -7.736 -9.417 327 HG2 LYS 42 1HG LYS 42 7.946 -10.097 -9.352 328 HG3 LYS 42 2HG LYS 42 7.040 -9.507 -10.743 329 HD2 LYS 42 1HD LYS 42 8.265 -7.331 -10.482 330 HD3 LYS 42 2HD LYS 42 9.287 -8.135 -9.292 331 HE2 LYS 42 1HE LYS 42 10.370 -8.172 -11.446 332 HE3 LYS 42 2HE LYS 42 9.900 -9.808 -10.979 333 HZ1 LYS 42 3HZ LYS 42 8.004 -9.679 -12.441 334 HZ2 LYS 42 1HZ LYS 42 9.387 -9.306 -13.321 335 HZ3 LYS 42 2HZ LYS 42 8.345 -8.077 -12.826 336 H VAL 43 H VAL 43 5.519 -9.242 -6.033 337 HA VAL 43 HA VAL 43 4.060 -6.825 -5.321 338 HB VAL 43 HB VAL 43 1.943 -8.113 -5.392 339 HG11 VAL 43 1HG1 VAL 43 3.431 -8.039 -8.015 340 HG12 VAL 43 2HG1 VAL 43 2.479 -6.731 -7.312 341 HG13 VAL 43 3HG1 VAL 43 1.687 -8.211 -7.846 342 HG21 VAL 43 3HG2 VAL 43 1.837 -10.268 -6.569 343 HG22 VAL 43 1HG2 VAL 43 2.854 -10.371 -5.131 344 HG23 VAL 43 2HG2 VAL 43 3.592 -10.259 -6.731 345 H LEU 44 H LEU 44 2.636 -7.334 -3.403 346 HA LEU 44 HA LEU 44 3.709 -9.407 -1.647 347 HB2 LEU 44 1HB LEU 44 4.878 -7.287 -1.148 348 HB3 LEU 44 2HB LEU 44 3.338 -6.496 -0.915 349 HG LEU 44 HG LEU 44 2.920 -7.998 1.031 350 HD11 LEU 44 1HD1 LEU 44 4.368 -9.859 0.413 351 HD12 LEU 44 2HD1 LEU 44 4.803 -9.224 1.998 352 HD13 LEU 44 3HD1 LEU 44 5.784 -8.823 0.592 353 HD21 LEU 44 3HD2 LEU 44 5.433 -6.339 1.148 354 HD22 LEU 44 1HD2 LEU 44 4.473 -6.851 2.535 355 HD23 LEU 44 2HD2 LEU 44 3.784 -5.744 1.344 356 H SER 45 H SER 45 2.036 -10.472 -0.682 357 HA SER 45 HA SER 45 -0.619 -9.507 -1.082 358 HB2 SER 45 1HB SER 45 -0.981 -11.811 0.129 359 HB3 SER 45 2HB SER 45 -0.447 -11.762 -1.556 360 HG SER 45 HG SER 45 0.832 -12.724 0.631 361 H ILE 46 H ILE 46 -1.541 -8.224 0.352 362 HA ILE 46 HA ILE 46 -0.844 -8.555 3.168 363 HB ILE 46 HB ILE 46 -1.400 -6.151 3.520 364 HG12 ILE 46 1HG1 ILE 46 -1.389 -6.009 0.485 365 HG13 ILE 46 2HG1 ILE 46 -2.783 -5.794 1.538 366 HG21 ILE 46 1HG2 ILE 46 0.905 -6.829 3.382 367 HG22 ILE 46 2HG2 ILE 46 0.704 -5.244 2.635 368 HG23 ILE 46 3HG2 ILE 46 0.876 -6.680 1.625 369 HD11 ILE 46 3HD1 ILE 46 -1.941 -3.666 0.717 370 HD12 ILE 46 1HD1 ILE 46 -0.374 -3.997 1.453 371 HD13 ILE 46 2HD1 ILE 46 -1.797 -3.784 2.472 372 H ARG 47 H ARG 47 -2.628 -7.956 4.636 373 HA ARG 47 HA ARG 47 -5.025 -9.148 3.575 374 HB2 ARG 47 1HB ARG 47 -4.503 -8.149 6.354 375 HB3 ARG 47 2HB ARG 47 -5.944 -8.983 5.825 376 HG2 ARG 47 1HG ARG 47 -4.471 -10.925 5.228 377 HG3 ARG 47 2HG ARG 47 -3.161 -10.075 6.064 378 HD2 ARG 47 1HD ARG 47 -5.814 -10.874 7.189 379 HD3 ARG 47 2HD ARG 47 -4.258 -11.626 7.574 380 HE ARG 47 HE ARG 47 -3.606 -9.452 8.520 381 HH11 ARG 47 1HH1 ARG 47 -7.103 -10.178 8.306 382 HH12 ARG 47 2HH1 ARG 47 -7.511 -9.103 9.562 383 HH21 ARG 47 1HH2 ARG 47 -4.227 -7.970 10.213 384 HH22 ARG 47 2HH2 ARG 47 -5.874 -7.836 10.650 385 H GLN 48 H GLN 48 -7.035 -8.335 3.865 386 HA GLN 48 HA GLN 48 -7.652 -5.921 2.769 387 HB2 GLN 48 1HB GLN 48 -9.980 -6.328 3.584 388 HB3 GLN 48 2HB GLN 48 -9.261 -7.708 2.782 389 HG2 GLN 48 1HG GLN 48 -9.507 -7.389 5.787 390 HG3 GLN 48 2HG GLN 48 -10.623 -8.296 4.782 391 HE21 GLN 48 2HE2 GLN 48 -8.472 -9.505 3.105 392 HE22 GLN 48 1HE2 GLN 48 -7.691 -10.645 4.112 393 H ASP 49 H ASP 49 -7.715 -6.670 6.256 394 HA ASP 49 HA ASP 49 -8.277 -3.927 6.939 395 HB2 ASP 49 1HB ASP 49 -7.777 -6.382 8.601 396 HB3 ASP 49 2HB ASP 49 -7.867 -4.786 9.332 397 H ASP 50 H ASP 50 -5.530 -5.723 6.303 398 HA ASP 50 HA ASP 50 -3.738 -4.504 8.172 399 HB2 ASP 50 1HB ASP 50 -3.379 -6.738 7.099 400 HB3 ASP 50 2HB ASP 50 -3.064 -5.908 5.582 401 H LEU 51 H LEU 51 -4.754 -3.876 4.913 402 HA LEU 51 HA LEU 51 -2.899 -1.890 4.237 403 HB2 LEU 51 1HB LEU 51 -4.406 -3.081 2.659 404 HB3 LEU 51 2HB LEU 51 -5.772 -2.215 3.313 405 HG LEU 51 HG LEU 51 -4.956 -1.472 1.041 406 HD11 LEU 51 1HD1 LEU 51 -6.383 -0.028 2.293 407 HD12 LEU 51 2HD1 LEU 51 -5.155 0.921 1.455 408 HD13 LEU 51 3HD1 LEU 51 -5.009 0.617 3.189 409 HD21 LEU 51 3HD2 LEU 51 -2.651 -0.347 2.619 410 HD22 LEU 51 1HD2 LEU 51 -3.005 -0.013 0.924 411 HD23 LEU 51 2HD2 LEU 51 -2.562 -1.646 1.428 412 H ARG 52 H ARG 52 -5.729 -1.841 6.240 413 HA ARG 52 HA ARG 52 -6.173 0.972 6.311 414 HB2 ARG 52 1HB ARG 52 -7.020 -1.234 8.195 415 HB3 ARG 52 2HB ARG 52 -7.483 0.444 8.412 416 HG2 ARG 52 1HG ARG 52 -8.671 0.422 6.304 417 HG3 ARG 52 2HG ARG 52 -8.134 -1.233 5.998 418 HD2 ARG 52 1HD ARG 52 -9.429 -2.059 7.833 419 HD3 ARG 52 2HD ARG 52 -9.780 -0.424 8.390 420 HE ARG 52 HE ARG 52 -10.917 -0.191 6.153 421 HH11 ARG 52 1HH1 ARG 52 -10.925 -3.336 7.959 422 HH12 ARG 52 2HH1 ARG 52 -12.406 -3.769 7.285 423 HH21 ARG 52 1HH2 ARG 52 -12.996 -0.951 5.327 424 HH22 ARG 52 2HH2 ARG 52 -13.590 -2.464 5.822 425 H THR 53 H THR 53 -3.929 -1.121 7.869 426 HA THR 53 HA THR 53 -3.386 0.463 10.149 427 HB THR 53 HB THR 53 -1.597 -1.542 8.756 428 HG1 THR 53 HG1 THR 53 -3.987 -1.784 10.092 429 HG21 THR 53 3HG2 THR 53 -0.519 -0.240 10.565 430 HG22 THR 53 1HG2 THR 53 -0.732 -1.930 11.026 431 HG23 THR 53 2HG2 THR 53 -1.823 -0.699 11.658 432 H LEU 54 H LEU 54 -2.201 0.383 6.838 433 HA LEU 54 HA LEU 54 0.111 1.957 7.229 434 HB2 LEU 54 1HB LEU 54 -1.532 1.439 4.753 435 HB3 LEU 54 2HB LEU 54 -0.110 2.452 4.741 436 HG LEU 54 HG LEU 54 1.228 0.469 5.479 437 HD11 LEU 54 1HD1 LEU 54 0.270 -1.760 5.137 438 HD12 LEU 54 2HD1 LEU 54 -1.322 -1.013 4.955 439 HD13 LEU 54 3HD1 LEU 54 -0.456 -0.884 6.484 440 HD21 LEU 54 3HD2 LEU 54 -0.268 0.214 2.880 441 HD22 LEU 54 1HD2 LEU 54 1.243 -0.601 3.286 442 HD23 LEU 54 2HD2 LEU 54 1.198 1.154 3.173 443 H ALA 55 H ALA 55 -3.202 2.721 6.562 444 HA ALA 55 HA ALA 55 -2.982 5.415 5.861 445 HB1 ALA 55 3HB ALA 55 -5.323 5.601 6.489 446 HB2 ALA 55 1HB ALA 55 -5.218 4.075 7.367 447 HB3 ALA 55 2HB ALA 55 -5.031 4.097 5.614 448 H VAL 56 H VAL 56 -3.128 3.880 8.997 449 HA VAL 56 HA VAL 56 -3.508 6.186 10.577 450 HB VAL 56 HB VAL 56 -2.104 3.609 11.337 451 HG11 VAL 56 1HG1 VAL 56 -1.690 5.363 12.958 452 HG12 VAL 56 2HG1 VAL 56 -2.784 4.156 13.640 453 HG13 VAL 56 3HG1 VAL 56 -3.416 5.699 13.070 454 HG21 VAL 56 3HG2 VAL 56 -4.314 3.135 10.464 455 HG22 VAL 56 1HG2 VAL 56 -5.021 4.350 11.527 456 HG23 VAL 56 2HG2 VAL 56 -4.296 2.901 12.213 457 H ILE 57 H ILE 57 -0.684 4.539 9.389 458 HA ILE 57 HA ILE 57 1.317 5.871 10.857 459 HB ILE 57 HB ILE 57 1.536 4.619 8.108 460 HG12 ILE 57 1HG1 ILE 57 1.888 3.367 10.845 461 HG13 ILE 57 2HG1 ILE 57 0.550 3.098 9.728 462 HG21 ILE 57 1HG2 ILE 57 3.471 5.992 8.664 463 HG22 ILE 57 2HG2 ILE 57 3.903 4.283 8.689 464 HG23 ILE 57 3HG2 ILE 57 3.646 5.151 10.202 465 HD11 ILE 57 3HD1 ILE 57 2.081 2.083 8.131 466 HD12 ILE 57 1HD1 ILE 57 2.130 1.256 9.690 467 HD13 ILE 57 2HD1 ILE 57 3.423 2.366 9.238 468 H TYR 58 H TYR 58 -0.221 6.568 7.764 469 HA TYR 58 HA TYR 58 1.570 8.845 7.342 470 HB2 TYR 58 1HB TYR 58 -0.648 8.038 5.466 471 HB3 TYR 58 2HB TYR 58 0.835 8.902 5.094 472 HD1 TYR 58 HD2 TYR 58 2.882 7.119 6.321 473 HD2 TYR 58 HD1 TYR 58 -0.628 6.190 4.125 474 HE1 TYR 58 HE2 TYR 58 3.849 4.934 5.689 475 HE2 TYR 58 HE1 TYR 58 0.331 4.021 3.497 476 HH TYR 58 HH TYR 58 3.093 2.763 5.023 477 H ASP 59 H ASP 59 -0.984 8.408 9.176 478 HA ASP 59 HA ASP 59 -2.614 9.596 10.070 479 HB2 ASP 59 1HB ASP 59 -0.885 11.807 9.026 480 HB3 ASP 59 2HB ASP 59 -2.436 12.148 9.800 481 H GLN 60 H GLN 60 -3.063 8.514 7.586 482 HA GLN 60 HA GLN 60 -4.922 10.396 6.342 483 HB2 GLN 60 1HB GLN 60 -3.735 7.813 5.315 484 HB3 GLN 60 2HB GLN 60 -4.921 8.781 4.458 485 HG2 GLN 60 1HG GLN 60 -2.157 9.672 5.232 486 HG3 GLN 60 2HG GLN 60 -2.680 9.184 3.617 487 HE21 GLN 60 2HE2 GLN 60 -1.602 11.713 4.586 488 HE22 GLN 60 1HE2 GLN 60 -2.796 12.903 4.193 489 H SER 61 H SER 61 -6.880 9.318 5.527 490 HA SER 61 HA SER 61 -7.918 7.458 7.508 491 HB2 SER 61 1HB SER 61 -9.192 9.588 7.020 492 HB3 SER 61 2HB SER 61 -9.379 9.046 5.355 493 HG SER 61 HG SER 61 -11.196 8.529 6.487 494 HA PRO 62 HA PRO 62 -7.141 4.091 4.732 495 HB2 PRO 62 1HB PRO 62 -9.519 2.664 5.183 496 HB3 PRO 62 2HB PRO 62 -8.005 2.489 6.072 497 HG2 PRO 62 1HG PRO 62 -10.445 4.036 6.771 498 HG3 PRO 62 2HG PRO 62 -9.324 3.166 7.830 499 HD2 PRO 62 1HD PRO 62 -9.301 5.836 7.663 500 HD3 PRO 62 2HD PRO 62 -7.791 4.911 7.844 501 H SER 63 H SER 63 -10.305 5.632 4.588 502 HA SER 63 HA SER 63 -11.319 4.708 2.219 503 HB2 SER 63 1HB SER 63 -11.488 7.560 3.152 504 HB3 SER 63 2HB SER 63 -12.743 6.565 2.404 505 HG SER 63 HG SER 63 -12.829 5.324 4.263 506 H VAL 64 H VAL 64 -9.333 7.656 2.745 507 HA VAL 64 HA VAL 64 -9.098 8.064 -0.088 508 HB VAL 64 HB VAL 64 -7.767 10.070 0.426 509 HG11 VAL 64 1HG1 VAL 64 -9.508 11.352 1.587 510 HG12 VAL 64 2HG1 VAL 64 -10.280 9.843 2.072 511 HG13 VAL 64 3HG1 VAL 64 -10.179 10.270 0.366 512 HG21 VAL 64 3HG2 VAL 64 -6.581 9.296 2.422 513 HG22 VAL 64 1HG2 VAL 64 -8.093 9.273 3.326 514 HG23 VAL 64 2HG2 VAL 64 -7.434 10.805 2.756 515 H LEU 65 H LEU 65 -7.220 6.599 2.374 516 HA LEU 65 HA LEU 65 -4.710 6.688 1.089 517 HB2 LEU 65 1HB LEU 65 -5.128 6.150 3.516 518 HB3 LEU 65 2HB LEU 65 -5.761 4.602 3.021 519 HG LEU 65 HG LEU 65 -3.429 4.591 3.988 520 HD11 LEU 65 1HD1 LEU 65 -3.720 3.471 1.220 521 HD12 LEU 65 2HD1 LEU 65 -4.184 2.694 2.734 522 HD13 LEU 65 3HD1 LEU 65 -2.483 3.013 2.391 523 HD21 LEU 65 3HD2 LEU 65 -2.733 5.901 1.367 524 HD22 LEU 65 1HD2 LEU 65 -1.583 5.234 2.525 525 HD23 LEU 65 2HD2 LEU 65 -2.586 6.616 2.973 526 H THR 66 H THR 66 -7.288 4.243 1.099 527 HA THR 66 HA THR 66 -6.073 2.432 -0.674 528 HB THR 66 HB THR 66 -9.054 2.938 -0.347 529 HG1 THR 66 HG1 THR 66 -8.337 2.606 1.687 530 HG21 THR 66 3HG2 THR 66 -8.442 1.384 -2.170 531 HG22 THR 66 1HG2 THR 66 -9.254 0.537 -0.852 532 HG23 THR 66 2HG2 THR 66 -7.503 0.422 -1.026 533 H GLU 67 H GLU 67 -8.080 5.270 -1.133 534 HA GLU 67 HA GLU 67 -8.682 5.086 -3.862 535 HB2 GLU 67 1HB GLU 67 -9.551 6.672 -2.002 536 HB3 GLU 67 2HB GLU 67 -8.163 7.665 -2.404 537 HG2 GLU 67 1HG GLU 67 -10.077 8.521 -3.528 538 HG3 GLU 67 2HG GLU 67 -9.005 7.791 -4.730 539 H GLN 68 H GLN 68 -5.999 6.688 -2.148 540 HA GLN 68 HA GLN 68 -4.596 7.725 -4.318 541 HB2 GLN 68 1HB GLN 68 -3.740 6.843 -1.575 542 HB3 GLN 68 2HB GLN 68 -2.621 7.554 -2.725 543 HG2 GLN 68 1HG GLN 68 -5.141 8.897 -1.794 544 HG3 GLN 68 2HG GLN 68 -3.554 9.133 -1.056 545 HE21 GLN 68 2HE2 GLN 68 -1.983 10.266 -2.159 546 HE22 GLN 68 1HE2 GLN 68 -2.347 11.234 -3.530 547 H LEU 69 H LEU 69 -4.069 4.711 -2.546 548 HA LEU 69 HA LEU 69 -1.921 3.732 -3.974 549 HB2 LEU 69 1HB LEU 69 -4.013 2.542 -2.266 550 HB3 LEU 69 2HB LEU 69 -3.091 1.446 -3.265 551 HG LEU 69 HG LEU 69 -2.236 1.628 -0.961 552 HD11 LEU 69 1HD1 LEU 69 -0.771 0.964 -2.791 553 HD12 LEU 69 2HD1 LEU 69 0.104 1.860 -1.560 554 HD13 LEU 69 3HD1 LEU 69 -0.341 2.651 -3.069 555 HD21 LEU 69 3HD2 LEU 69 -1.034 3.624 -0.246 556 HD22 LEU 69 1HD2 LEU 69 -2.727 4.004 -0.566 557 HD23 LEU 69 2HD2 LEU 69 -1.489 4.445 -1.739 558 H ILE 70 H ILE 70 -5.346 3.257 -4.661 559 HA ILE 70 HA ILE 70 -4.939 1.521 -6.862 560 HB ILE 70 HB ILE 70 -7.318 3.254 -6.122 561 HG12 ILE 70 1HG1 ILE 70 -6.843 0.281 -5.798 562 HG13 ILE 70 2HG1 ILE 70 -6.695 1.474 -4.517 563 HG21 ILE 70 1HG2 ILE 70 -7.160 1.069 -8.210 564 HG22 ILE 70 2HG2 ILE 70 -7.410 2.788 -8.515 565 HG23 ILE 70 3HG2 ILE 70 -8.642 1.855 -7.667 566 HD11 ILE 70 3HD1 ILE 70 -9.072 1.983 -4.720 567 HD12 ILE 70 1HD1 ILE 70 -8.802 0.274 -4.380 568 HD13 ILE 70 2HD1 ILE 70 -9.218 0.791 -6.012 569 H SER 71 H SER 71 -5.142 5.021 -6.573 570 HA SER 71 HA SER 71 -5.310 5.577 -9.343 571 HB2 SER 71 1HB SER 71 -4.327 7.334 -7.085 572 HB3 SER 71 2HB SER 71 -4.832 7.885 -8.686 573 HG SER 71 HG SER 71 -6.365 6.937 -6.547 574 H TRP 72 H TRP 72 -2.643 4.950 -7.177 575 HA TRP 72 HA TRP 72 -0.644 5.885 -9.055 576 HB2 TRP 72 1HB TRP 72 -0.258 4.194 -6.584 577 HB3 TRP 72 2HB TRP 72 0.998 5.022 -7.485 578 HD1 TRP 72 HD1 TRP 72 -0.902 7.809 -7.585 579 HE1 TRP 72 HE1 TRP 72 -0.891 9.241 -5.464 580 HE3 TRP 72 HE3 TRP 72 0.804 4.313 -4.309 581 HZ2 TRP 72 HZ2 TRP 72 -0.203 8.923 -2.711 582 HZ3 TRP 72 HZ3 TRP 72 1.131 4.942 -1.950 583 HH2 TRP 72 HH2 TRP 72 0.645 7.188 -1.168 584 H GLY 73 H GLY 73 -2.440 3.049 -8.588 585 HA2 GLY 73 1HA GLY 73 -2.459 1.108 -9.874 586 HA3 GLY 73 2HA GLY 73 -0.988 1.664 -10.670 587 H VAL 74 H VAL 74 -0.875 1.823 -7.329 588 HA VAL 74 HA VAL 74 1.116 -0.284 -7.234 589 HB VAL 74 HB VAL 74 0.211 1.634 -5.047 590 HG11 VAL 74 1HG1 VAL 74 2.632 -0.162 -5.166 591 HG12 VAL 74 2HG1 VAL 74 1.224 -0.392 -4.134 592 HG13 VAL 74 3HG1 VAL 74 2.274 1.008 -3.895 593 HG21 VAL 74 3HG2 VAL 74 1.249 2.768 -6.951 594 HG22 VAL 74 1HG2 VAL 74 2.661 1.729 -6.791 595 HG23 VAL 74 2HG2 VAL 74 2.254 2.864 -5.502 596 H LEU 75 H LEU 75 -2.145 0.323 -6.254 597 HA LEU 75 HA LEU 75 -2.195 -2.338 -5.037 598 HB2 LEU 75 1HB LEU 75 -2.612 -0.503 -3.441 599 HB3 LEU 75 2HB LEU 75 -3.943 0.045 -4.452 600 HG LEU 75 HG LEU 75 -5.146 -2.053 -3.951 601 HD11 LEU 75 1HD1 LEU 75 -4.352 -3.492 -2.149 602 HD12 LEU 75 2HD1 LEU 75 -2.844 -2.581 -2.072 603 HD13 LEU 75 3HD1 LEU 75 -3.245 -3.513 -3.518 604 HD21 LEU 75 3HD2 LEU 75 -5.680 -1.498 -1.629 605 HD22 LEU 75 1HD2 LEU 75 -5.546 -0.051 -2.627 606 HD23 LEU 75 2HD2 LEU 75 -4.234 -0.497 -1.535 607 H ASP 76 H ASP 76 -3.626 -3.708 -5.882 608 HA ASP 76 HA ASP 76 -4.767 -3.194 -8.412 609 HB2 ASP 76 1HB ASP 76 -4.118 -5.445 -7.788 610 HB3 ASP 76 2HB ASP 76 -5.237 -5.447 -6.441 611 H ALA 77 H ALA 77 -6.738 -2.587 -9.026 612 HA ALA 77 HA ALA 77 -8.161 -0.799 -7.492 613 HB1 ALA 77 3HB ALA 77 -9.209 -2.254 -9.900 614 HB2 ALA 77 1HB ALA 77 -8.157 -0.839 -9.939 615 HB3 ALA 77 2HB ALA 77 -9.784 -0.713 -9.266 616 H ASP 78 H ASP 78 -8.868 -4.180 -7.944 617 HA ASP 78 HA ASP 78 -11.467 -4.291 -6.968 618 HB2 ASP 78 1HB ASP 78 -10.410 -6.176 -8.120 619 HB3 ASP 78 2HB ASP 78 -9.347 -6.436 -6.747 620 H ALA 79 H ALA 79 -8.625 -3.706 -5.216 621 HA ALA 79 HA ALA 79 -9.244 -4.523 -2.631 622 HB1 ALA 79 3HB ALA 79 -7.881 -1.961 -3.442 623 HB2 ALA 79 1HB ALA 79 -7.096 -3.528 -3.279 624 HB3 ALA 79 2HB ALA 79 -7.785 -2.738 -1.863 625 H ARG 80 H ARG 80 -10.568 -1.869 -4.493 626 HA ARG 80 HA ARG 80 -11.767 -0.468 -2.330 627 HB2 ARG 80 1HB ARG 80 -13.033 0.744 -4.031 628 HB3 ARG 80 2HB ARG 80 -11.372 0.561 -4.552 629 HG2 ARG 80 1HG ARG 80 -12.299 -1.528 -5.818 630 HG3 ARG 80 2HG ARG 80 -13.847 -0.707 -5.630 631 HD2 ARG 80 1HD ARG 80 -11.364 0.396 -6.894 632 HD3 ARG 80 2HD ARG 80 -12.766 -0.154 -7.781 633 HE ARG 80 HE ARG 80 -12.738 2.142 -5.900 634 HH11 ARG 80 1HH1 ARG 80 -13.909 0.807 -9.002 635 HH12 ARG 80 2HH1 ARG 80 -14.667 2.273 -9.436 636 HH21 ARG 80 1HH2 ARG 80 -13.744 4.079 -6.566 637 HH22 ARG 80 2HH2 ARG 80 -14.566 4.139 -8.066 638 H ARG 81 H ARG 81 -12.694 -3.238 -4.191 639 HA ARG 81 HA ARG 81 -15.421 -3.394 -3.298 640 HB2 ARG 81 1HB ARG 81 -14.683 -4.444 -5.410 641 HB3 ARG 81 2HB ARG 81 -13.550 -5.445 -4.531 642 HG2 ARG 81 1HG ARG 81 -15.403 -6.814 -5.119 643 HG3 ARG 81 2HG ARG 81 -15.527 -6.506 -3.389 644 HD2 ARG 81 1HD ARG 81 -17.162 -4.739 -3.838 645 HD3 ARG 81 2HD ARG 81 -17.057 -5.077 -5.561 646 HE ARG 81 HE ARG 81 -17.955 -7.090 -3.607 647 HH11 ARG 81 1HH1 ARG 81 -18.477 -5.383 -6.693 648 HH12 ARG 81 2HH1 ARG 81 -19.871 -6.281 -7.080 649 HH21 ARG 81 1HH2 ARG 81 -19.840 -8.291 -4.188 650 HH22 ARG 81 2HH2 ARG 81 -20.682 -7.939 -5.636 651 H ALA 82 H ALA 82 -12.312 -4.754 -2.457 652 HA ALA 82 HA ALA 82 -13.108 -6.577 -0.463 653 HB1 ALA 82 3HB ALA 82 -10.771 -6.522 0.232 654 HB2 ALA 82 1HB ALA 82 -10.512 -5.111 -0.789 655 HB3 ALA 82 2HB ALA 82 -10.941 -6.661 -1.519 656 H VAL 83 H VAL 83 -11.916 -3.253 -0.229 657 HA VAL 83 HA VAL 83 -12.232 -3.103 2.604 658 HB VAL 83 HB VAL 83 -11.928 -0.865 0.554 659 HG11 VAL 83 1HG1 VAL 83 -11.571 -0.752 3.552 660 HG12 VAL 83 2HG1 VAL 83 -12.882 -0.010 2.637 661 HG13 VAL 83 3HG1 VAL 83 -11.226 0.559 2.421 662 HG21 VAL 83 3HG2 VAL 83 -9.578 -0.826 1.255 663 HG22 VAL 83 1HG2 VAL 83 -10.030 -2.387 0.567 664 HG23 VAL 83 2HG2 VAL 83 -9.874 -2.203 2.315 665 H ALA 84 H ALA 84 -14.283 -2.665 -0.101 666 HA ALA 84 HA ALA 84 -16.401 -2.131 -0.442 667 HB1 ALA 84 3HB ALA 84 -16.832 -2.906 2.449 668 HB2 ALA 84 1HB ALA 84 -16.807 -4.034 1.091 669 HB3 ALA 84 2HB ALA 84 -18.074 -2.811 1.201 670 H SER 85 H SER 85 -15.383 -0.007 -0.582 671 HA SER 85 HA SER 85 -16.996 1.918 0.784 672 HB2 SER 85 1HB SER 85 -13.978 1.958 1.096 673 HB3 SER 85 2HB SER 85 -15.069 3.258 1.576 674 HG SER 85 HG SER 85 -15.884 0.923 2.557 675 H HIS 86 H HIS 86 -17.399 3.545 -0.629 676 HA HIS 86 HA HIS 86 -15.484 4.429 -2.515 677 HB2 HIS 86 1HB HIS 86 -16.648 3.842 -4.574 678 HB3 HIS 86 2HB HIS 86 -16.365 2.361 -3.677 679 HD1 HIS 86 HD1 HIS 86 -18.507 1.024 -2.936 680 HD2 HIS 86 HD2 HIS 86 -19.314 4.644 -4.800 681 HE1 HIS 86 HE1 HIS 86 -20.980 1.042 -3.392 682 H ASP 87 H ASP 87 -16.011 6.456 -3.166 683 HA ASP 87 HA ASP 87 -18.512 7.619 -2.183 684 HB2 ASP 87 1HB ASP 87 -16.341 8.855 -1.915 685 HB3 ASP 87 2HB ASP 87 -16.201 8.914 -3.668 686 H GLU 88 H GLU 88 -17.063 6.247 -4.814 687 HA GLU 88 HA GLU 88 -17.826 5.437 -6.699 688 HB2 GLU 88 1HB GLU 88 -20.225 5.868 -6.152 689 HB3 GLU 88 2HB GLU 88 -20.040 7.503 -6.757 690 HG2 GLU 88 1HG GLU 88 -19.580 6.675 -8.968 691 HG3 GLU 88 2HG GLU 88 -19.642 5.014 -8.382 692 H LEU 89 H LEU 89 -17.717 8.942 -6.449 693 HA LEU 89 HA LEU 89 -15.442 9.033 -8.084 694 HB2 LEU 89 1HB LEU 89 -17.183 8.681 -9.852 695 HB3 LEU 89 2HB LEU 89 -17.947 10.172 -9.341 696 HG LEU 89 HG LEU 89 -15.977 11.446 -10.038 697 HD11 LEU 89 1HD1 LEU 89 -14.888 8.768 -10.871 698 HD12 LEU 89 2HD1 LEU 89 -14.229 9.834 -9.624 699 HD13 LEU 89 3HD1 LEU 89 -14.193 10.321 -11.316 700 HD21 LEU 89 3HD2 LEU 89 -16.976 9.545 -12.151 701 HD22 LEU 89 1HD2 LEU 89 -16.177 11.090 -12.439 702 HD23 LEU 89 2HD2 LEU 89 -17.757 11.048 -11.656 Start of MODEL 7 1 H1 MET 1 1H MET 1 -18.305 -15.580 0.372 2 H2 MET 1 2H MET 1 -17.841 -17.018 1.085 3 H3 MET 1 3H MET 1 -19.426 -16.835 0.535 4 HA MET 1 HA MET 1 -18.185 -18.218 -0.950 5 HB2 MET 1 1HB MET 1 -19.895 -16.807 -1.965 6 HB3 MET 1 2HB MET 1 -18.764 -15.468 -2.074 7 HG2 MET 1 1HG MET 1 -19.070 -16.515 -4.245 8 HG3 MET 1 2HG MET 1 -17.416 -16.721 -3.680 9 HE1 MET 1 3HE MET 1 -20.862 -18.396 -4.357 10 HE2 MET 1 1HE MET 1 -20.695 -18.734 -2.635 11 HE3 MET 1 2HE MET 1 -20.622 -20.051 -3.806 12 H GLU 2 H GLU 2 -16.717 -14.940 -1.045 13 HA GLU 2 HA GLU 2 -14.333 -16.178 -2.143 14 HB2 GLU 2 1HB GLU 2 -15.115 -13.279 -1.877 15 HB3 GLU 2 2HB GLU 2 -13.681 -13.887 -2.694 16 HG2 GLU 2 1HG GLU 2 -15.033 -15.057 -4.303 17 HG3 GLU 2 2HG GLU 2 -16.499 -14.569 -3.463 18 HA PRO 3 HA PRO 3 -12.223 -16.032 1.720 19 HB2 PRO 3 1HB PRO 3 -9.654 -15.950 0.831 20 HB3 PRO 3 2HB PRO 3 -10.653 -17.400 0.688 21 HG2 PRO 3 1HG PRO 3 -10.074 -15.288 -1.355 22 HG3 PRO 3 2HG PRO 3 -10.025 -17.054 -1.539 23 HD2 PRO 3 1HD PRO 3 -12.124 -15.614 -2.371 24 HD3 PRO 3 2HD PRO 3 -12.334 -17.226 -1.668 25 HA PRO 4 HA PRO 4 -10.973 -11.956 3.227 26 HB2 PRO 4 1HB PRO 4 -8.238 -13.187 3.392 27 HB3 PRO 4 2HB PRO 4 -9.047 -12.139 4.561 28 HG2 PRO 4 1HG PRO 4 -8.997 -14.749 4.967 29 HG3 PRO 4 2HG PRO 4 -10.477 -13.828 5.282 30 HD2 PRO 4 1HD PRO 4 -9.858 -15.704 3.067 31 HD3 PRO 4 2HD PRO 4 -11.422 -15.305 3.805 32 HA PRO 5 HA PRO 5 -9.527 -10.145 -0.640 33 HB2 PRO 5 1HB PRO 5 -9.246 -7.755 1.107 34 HB3 PRO 5 2HB PRO 5 -10.072 -7.917 -0.447 35 HG2 PRO 5 1HG PRO 5 -11.479 -7.790 1.789 36 HG3 PRO 5 2HG PRO 5 -11.938 -8.917 0.500 37 HD2 PRO 5 1HD PRO 5 -10.521 -9.462 3.077 38 HD3 PRO 5 2HD PRO 5 -11.786 -10.406 2.251 39 H LYS 6 H LYS 6 -7.575 -10.572 -1.281 40 HA LYS 6 HA LYS 6 -5.274 -10.195 0.436 41 HB2 LYS 6 1HB LYS 6 -5.453 -11.332 -2.366 42 HB3 LYS 6 2HB LYS 6 -4.045 -11.383 -1.315 43 HG2 LYS 6 1HG LYS 6 -5.315 -12.759 0.279 44 HG3 LYS 6 2HG LYS 6 -6.681 -12.749 -0.836 45 HD2 LYS 6 1HD LYS 6 -5.278 -13.840 -2.535 46 HD3 LYS 6 2HD LYS 6 -3.934 -13.874 -1.388 47 HE2 LYS 6 1HE LYS 6 -5.361 -15.170 0.154 48 HE3 LYS 6 2HE LYS 6 -6.600 -15.246 -1.092 49 HZ1 LYS 6 3HZ LYS 6 -5.241 -17.252 -1.072 50 HZ2 LYS 6 1HZ LYS 6 -3.855 -16.344 -1.299 51 HZ3 LYS 6 2HZ LYS 6 -4.996 -16.419 -2.520 52 H LEU 7 H LEU 7 -4.639 -8.167 0.498 53 HA LEU 7 HA LEU 7 -5.027 -6.459 -1.777 54 HB2 LEU 7 1HB LEU 7 -3.737 -5.883 0.875 55 HB3 LEU 7 2HB LEU 7 -4.238 -4.697 -0.314 56 HG LEU 7 HG LEU 7 -6.073 -6.512 1.249 57 HD11 LEU 7 1HD1 LEU 7 -5.547 -3.570 1.449 58 HD12 LEU 7 2HD1 LEU 7 -5.073 -4.809 2.613 59 HD13 LEU 7 3HD1 LEU 7 -6.781 -4.464 2.338 60 HD21 LEU 7 3HD2 LEU 7 -6.699 -4.311 -0.721 61 HD22 LEU 7 1HD2 LEU 7 -7.880 -5.146 0.291 62 HD23 LEU 7 2HD2 LEU 7 -6.997 -6.036 -0.947 63 H VAL 8 H VAL 8 -3.677 -7.046 -3.337 64 HA VAL 8 HA VAL 8 -0.862 -7.326 -2.716 65 HB VAL 8 HB VAL 8 -0.603 -8.022 -5.125 66 HG11 VAL 8 1HG1 VAL 8 -2.565 -9.583 -3.455 67 HG12 VAL 8 2HG1 VAL 8 -0.801 -9.681 -3.396 68 HG13 VAL 8 3HG1 VAL 8 -1.666 -10.223 -4.832 69 HG21 VAL 8 3HG2 VAL 8 -2.606 -8.629 -6.404 70 HG22 VAL 8 1HG2 VAL 8 -2.584 -6.899 -6.057 71 HG23 VAL 8 2HG2 VAL 8 -3.632 -7.974 -5.127 72 H LEU 9 H LEU 9 0.319 -5.609 -2.651 73 HA LEU 9 HA LEU 9 -0.276 -3.533 -4.574 74 HB2 LEU 9 1HB LEU 9 1.105 -1.984 -3.151 75 HB3 LEU 9 2HB LEU 9 -0.339 -2.579 -2.382 76 HG LEU 9 HG LEU 9 1.221 -4.214 -1.146 77 HD11 LEU 9 1HD1 LEU 9 3.277 -2.253 -2.134 78 HD12 LEU 9 2HD1 LEU 9 3.185 -3.964 -2.551 79 HD13 LEU 9 3HD1 LEU 9 3.529 -3.474 -0.889 80 HD21 LEU 9 3HD2 LEU 9 1.791 -2.522 0.517 81 HD22 LEU 9 1HD2 LEU 9 0.151 -2.300 -0.090 82 HD23 LEU 9 2HD2 LEU 9 1.450 -1.249 -0.655 83 H ASP 10 H ASP 10 1.039 -2.959 -6.078 84 HA ASP 10 HA ASP 10 3.034 -4.877 -6.841 85 HB2 ASP 10 1HB ASP 10 1.380 -3.741 -8.371 86 HB3 ASP 10 2HB ASP 10 2.328 -2.275 -8.179 87 H LEU 11 H LEU 11 5.091 -4.770 -6.302 88 HA LEU 11 HA LEU 11 6.072 -2.473 -4.894 89 HB2 LEU 11 1HB LEU 11 7.347 -5.110 -5.569 90 HB3 LEU 11 2HB LEU 11 8.131 -3.864 -4.622 91 HG LEU 11 HG LEU 11 5.535 -5.197 -3.824 92 HD11 LEU 11 1HD1 LEU 11 8.342 -5.701 -2.881 93 HD12 LEU 11 2HD1 LEU 11 7.353 -6.807 -3.835 94 HD13 LEU 11 3HD1 LEU 11 6.884 -6.401 -2.185 95 HD21 LEU 11 3HD2 LEU 11 6.027 -4.200 -1.638 96 HD22 LEU 11 1HD2 LEU 11 5.830 -2.968 -2.885 97 HD23 LEU 11 2HD2 LEU 11 7.442 -3.404 -2.326 98 H GLU 12 H GLU 12 6.119 -3.457 -8.135 99 HA GLU 12 HA GLU 12 8.588 -2.078 -8.734 100 HB2 GLU 12 1HB GLU 12 6.528 -3.257 -10.613 101 HB3 GLU 12 2HB GLU 12 8.144 -2.721 -11.060 102 HG2 GLU 12 1HG GLU 12 9.065 -4.471 -9.547 103 HG3 GLU 12 2HG GLU 12 7.421 -5.047 -9.290 104 H ARG 13 H ARG 13 5.132 -1.719 -9.224 105 HA ARG 13 HA ARG 13 5.292 0.874 -10.327 106 HB2 ARG 13 1HB ARG 13 3.144 -0.856 -9.395 107 HB3 ARG 13 2HB ARG 13 2.829 0.845 -9.077 108 HG2 ARG 13 1HG ARG 13 3.486 -0.357 -11.757 109 HG3 ARG 13 2HG ARG 13 1.892 0.144 -11.184 110 HD2 ARG 13 1HD ARG 13 2.637 2.437 -10.973 111 HD3 ARG 13 2HD ARG 13 4.265 2.002 -11.467 112 HE ARG 13 HE ARG 13 2.122 1.410 -13.308 113 HH11 ARG 13 1HH1 ARG 13 4.863 3.498 -12.436 114 HH12 ARG 13 2HH1 ARG 13 4.900 4.309 -13.930 115 HH21 ARG 13 1HH2 ARG 13 2.136 2.527 -15.319 116 HH22 ARG 13 2HH2 ARG 13 3.325 3.721 -15.642 117 H LEU 14 H LEU 14 5.142 -0.306 -7.063 118 HA LEU 14 HA LEU 14 4.748 2.166 -5.801 119 HB2 LEU 14 1HB LEU 14 4.507 0.004 -4.658 120 HB3 LEU 14 2HB LEU 14 6.227 -0.274 -4.815 121 HG LEU 14 HG LEU 14 6.690 1.574 -3.288 122 HD11 LEU 14 1HD1 LEU 14 3.696 1.842 -3.127 123 HD12 LEU 14 2HD1 LEU 14 4.810 3.013 -3.832 124 HD13 LEU 14 3HD1 LEU 14 4.862 2.674 -2.102 125 HD21 LEU 14 3HD2 LEU 14 6.354 -0.665 -2.368 126 HD22 LEU 14 1HD2 LEU 14 4.626 -0.349 -2.219 127 HD23 LEU 14 2HD2 LEU 14 5.782 0.573 -1.254 128 H ALA 15 H ALA 15 7.531 0.665 -7.216 129 HA ALA 15 HA ALA 15 9.469 2.364 -6.028 130 HB1 ALA 15 3HB ALA 15 11.018 1.419 -7.649 131 HB2 ALA 15 1HB ALA 15 9.673 0.701 -8.533 132 HB3 ALA 15 2HB ALA 15 10.046 0.147 -6.902 133 H THR 16 H THR 16 7.306 2.721 -8.752 134 HA THR 16 HA THR 16 8.898 4.888 -9.785 135 HB THR 16 HB THR 16 7.072 5.152 -11.506 136 HG1 THR 16 HG1 THR 16 5.490 3.932 -9.987 137 HG21 THR 16 3HG2 THR 16 9.041 3.813 -11.986 138 HG22 THR 16 1HG2 THR 16 7.616 3.077 -12.718 139 HG23 THR 16 2HG2 THR 16 8.292 2.403 -11.234 140 H VAL 17 H VAL 17 6.679 4.574 -7.360 141 HA VAL 17 HA VAL 17 5.424 7.151 -7.659 142 HB VAL 17 HB VAL 17 5.420 5.268 -5.266 143 HG11 VAL 17 1HG1 VAL 17 4.821 7.556 -4.646 144 HG12 VAL 17 2HG1 VAL 17 3.424 6.486 -4.527 145 HG13 VAL 17 3HG1 VAL 17 3.584 7.576 -5.903 146 HG21 VAL 17 3HG2 VAL 17 3.377 5.574 -7.459 147 HG22 VAL 17 1HG2 VAL 17 3.205 4.557 -6.030 148 HG23 VAL 17 2HG2 VAL 17 4.452 4.197 -7.225 149 HA PRO 18 HA PRO 18 8.869 9.451 -5.934 150 HB2 PRO 18 1HB PRO 18 6.697 11.277 -5.031 151 HB3 PRO 18 2HB PRO 18 8.161 11.646 -5.947 152 HG2 PRO 18 1HG PRO 18 5.798 11.565 -7.165 153 HG3 PRO 18 2HG PRO 18 7.249 10.916 -7.952 154 HD2 PRO 18 1HD PRO 18 4.994 9.466 -6.636 155 HD3 PRO 18 2HD PRO 18 5.930 9.051 -8.091 156 H ALA 19 H ALA 19 9.847 9.643 -4.006 157 HA ALA 19 HA ALA 19 8.972 8.225 -1.753 158 HB1 ALA 19 3HB ALA 19 11.163 10.299 -1.896 159 HB2 ALA 19 1HB ALA 19 11.343 8.592 -2.292 160 HB3 ALA 19 2HB ALA 19 10.964 9.077 -0.640 161 H GLU 20 H GLU 20 8.406 11.454 -2.705 162 HA GLU 20 HA GLU 20 7.770 12.772 -0.361 163 HB2 GLU 20 1HB GLU 20 6.419 12.854 -3.047 164 HB3 GLU 20 2HB GLU 20 6.067 13.991 -1.751 165 HG2 GLU 20 1HG GLU 20 8.760 13.603 -3.030 166 HG3 GLU 20 2HG GLU 20 7.615 14.880 -3.442 167 H LYS 21 H LYS 21 5.955 10.299 -2.063 168 HA LYS 21 HA LYS 21 3.993 10.325 0.135 169 HB2 LYS 21 1HB LYS 21 3.538 9.458 -2.729 170 HB3 LYS 21 2HB LYS 21 2.364 9.304 -1.431 171 HG2 LYS 21 1HG LYS 21 2.348 11.743 -1.175 172 HG3 LYS 21 2HG LYS 21 3.502 11.873 -2.500 173 HD2 LYS 21 1HD LYS 21 1.868 10.833 -4.013 174 HD3 LYS 21 2HD LYS 21 0.710 10.732 -2.682 175 HE2 LYS 21 1HE LYS 21 0.771 13.165 -2.447 176 HE3 LYS 21 2HE LYS 21 1.920 13.265 -3.776 177 HZ1 LYS 21 3HZ LYS 21 -0.867 12.287 -3.962 178 HZ2 LYS 21 1HZ LYS 21 0.213 12.359 -5.254 179 HZ3 LYS 21 2HZ LYS 21 -0.297 13.768 -4.491 180 H ALA 22 H ALA 22 5.971 8.314 -1.996 181 HA ALA 22 HA ALA 22 5.017 5.907 -0.717 182 HB1 ALA 22 3HB ALA 22 6.345 4.718 -2.351 183 HB2 ALA 22 1HB ALA 22 7.064 6.236 -2.891 184 HB3 ALA 22 2HB ALA 22 5.341 5.941 -3.131 185 H GLY 23 H GLY 23 7.280 8.118 0.141 186 HA2 GLY 23 1HA GLY 23 9.627 6.701 0.680 187 HA3 GLY 23 2HA GLY 23 9.074 8.101 1.582 188 HA PRO 24 HA PRO 24 8.184 5.589 5.120 189 HB2 PRO 24 1HB PRO 24 5.599 6.105 5.825 190 HB3 PRO 24 2HB PRO 24 6.915 7.240 6.094 191 HG2 PRO 24 1HG PRO 24 4.928 7.190 3.851 192 HG3 PRO 24 2HG PRO 24 5.486 8.574 4.814 193 HD2 PRO 24 1HD PRO 24 6.461 8.088 2.366 194 HD3 PRO 24 2HD PRO 24 7.500 8.713 3.666 195 H LEU 25 H LEU 25 6.110 5.249 2.405 196 HA LEU 25 HA LEU 25 4.796 2.869 3.266 197 HB2 LEU 25 1HB LEU 25 3.731 4.362 1.684 198 HB3 LEU 25 2HB LEU 25 5.030 4.159 0.541 199 HG LEU 25 HG LEU 25 4.319 1.882 0.068 200 HD11 LEU 25 1HD1 LEU 25 3.564 1.242 2.318 201 HD12 LEU 25 2HD1 LEU 25 2.324 0.926 1.109 202 HD13 LEU 25 3HD1 LEU 25 2.188 2.333 2.162 203 HD21 LEU 25 3HD2 LEU 25 2.174 2.346 -0.906 204 HD22 LEU 25 1HD2 LEU 25 3.230 3.740 -1.096 205 HD23 LEU 25 2HD2 LEU 25 1.964 3.753 0.137 206 H GLN 26 H GLN 26 7.527 3.581 1.116 207 HA GLN 26 HA GLN 26 8.183 0.939 0.460 208 HB2 GLN 26 1HB GLN 26 9.861 3.438 0.653 209 HB3 GLN 26 2HB GLN 26 10.547 1.899 0.164 210 HG2 GLN 26 1HG GLN 26 8.235 3.212 -1.247 211 HG3 GLN 26 2HG GLN 26 9.919 3.454 -1.700 212 HE21 GLN 26 2HE2 GLN 26 9.589 2.565 -3.714 213 HE22 GLN 26 1HE2 GLN 26 9.368 0.863 -3.965 214 H ARG 27 H ARG 27 8.936 2.885 3.239 215 HA ARG 27 HA ARG 27 10.823 1.136 4.429 216 HB2 ARG 27 1HB ARG 27 8.895 3.013 5.750 217 HB3 ARG 27 2HB ARG 27 10.244 2.244 6.568 218 HG2 ARG 27 1HG ARG 27 11.796 3.419 5.082 219 HG3 ARG 27 2HG ARG 27 10.425 4.191 4.280 220 HD2 ARG 27 1HD ARG 27 9.774 5.138 6.473 221 HD3 ARG 27 2HD ARG 27 11.275 4.499 7.150 222 HE ARG 27 HE ARG 27 12.381 5.855 5.359 223 HH11 ARG 27 1HH1 ARG 27 9.365 6.862 6.944 224 HH12 ARG 27 2HH1 ARG 27 9.517 8.490 6.483 225 HH21 ARG 27 1HH2 ARG 27 12.592 8.054 4.762 226 HH22 ARG 27 2HH2 ARG 27 11.408 9.208 5.212 227 H TYR 28 H TYR 28 7.344 1.502 4.913 228 HA TYR 28 HA TYR 28 6.975 -0.576 6.753 229 HB2 TYR 28 1HB TYR 28 5.294 1.200 6.131 230 HB3 TYR 28 2HB TYR 28 5.002 0.320 4.641 231 HD1 TYR 28 HD1 TYR 28 3.798 -1.884 4.714 232 HD2 TYR 28 HD2 TYR 28 4.378 0.466 8.220 233 HE1 TYR 28 HE1 TYR 28 2.011 -3.144 5.853 234 HE2 TYR 28 HE2 TYR 28 2.607 -0.792 9.361 235 HH TYR 28 HH TYR 28 1.211 -3.670 8.122 236 H ALA 29 H ALA 29 6.734 -0.575 3.213 237 HA ALA 29 HA ALA 29 6.048 -3.248 2.841 238 HB1 ALA 29 3HB ALA 29 7.695 -1.494 1.015 239 HB2 ALA 29 1HB ALA 29 5.932 -1.547 1.071 240 HB3 ALA 29 2HB ALA 29 6.841 -2.966 0.549 241 H ALA 30 H ALA 30 9.271 -1.729 2.922 242 HA ALA 30 HA ALA 30 10.714 -4.118 2.498 243 HB1 ALA 30 3HB ALA 30 11.625 -1.607 3.907 244 HB2 ALA 30 1HB ALA 30 11.716 -1.907 2.172 245 HB3 ALA 30 2HB ALA 30 12.674 -2.884 3.287 246 H THR 31 H THR 31 9.473 -2.572 5.371 247 HA THR 31 HA THR 31 10.781 -4.209 7.246 248 HB THR 31 HB THR 31 8.106 -2.789 7.540 249 HG1 THR 31 HG1 THR 31 9.726 -1.326 7.041 250 HG21 THR 31 3HG2 THR 31 8.600 -2.832 9.957 251 HG22 THR 31 1HG2 THR 31 10.069 -3.753 9.637 252 HG23 THR 31 2HG2 THR 31 8.490 -4.468 9.305 253 H ILE 32 H ILE 32 7.642 -4.506 5.600 254 HA ILE 32 HA ILE 32 6.813 -6.870 6.908 255 HB ILE 32 HB ILE 32 6.148 -5.980 4.082 256 HG12 ILE 32 1HG1 ILE 32 5.513 -4.251 5.653 257 HG13 ILE 32 2HG1 ILE 32 4.063 -5.064 5.081 258 HG21 ILE 32 1HG2 ILE 32 5.599 -8.328 4.410 259 HG22 ILE 32 2HG2 ILE 32 4.123 -7.370 4.304 260 HG23 ILE 32 3HG2 ILE 32 4.696 -7.932 5.873 261 HD11 ILE 32 3HD1 ILE 32 4.007 -6.355 7.182 262 HD12 ILE 32 1HD1 ILE 32 3.894 -4.611 7.440 263 HD13 ILE 32 2HD1 ILE 32 5.412 -5.450 7.743 264 H GLN 33 H GLN 33 8.601 -6.355 3.912 265 HA GLN 33 HA GLN 33 9.008 -9.019 3.192 266 HB2 GLN 33 1HB GLN 33 10.664 -6.562 2.713 267 HB3 GLN 33 2HB GLN 33 11.127 -8.135 2.088 268 HG2 GLN 33 1HG GLN 33 9.082 -8.243 0.792 269 HG3 GLN 33 2HG GLN 33 8.557 -6.703 1.473 270 HE21 GLN 33 2HE2 GLN 33 9.208 -7.573 -1.319 271 HE22 GLN 33 1HE2 GLN 33 10.342 -6.401 -1.864 272 H SER 34 H SER 34 11.015 -6.917 5.219 273 HA SER 34 HA SER 34 12.925 -8.946 5.658 274 HB2 SER 34 1HB SER 34 13.754 -7.357 7.496 275 HB3 SER 34 2HB SER 34 13.781 -6.769 5.836 276 HG SER 34 HG SER 34 12.008 -5.561 6.217 277 H GLN 35 H GLN 35 10.113 -7.914 7.516 278 HA GLN 35 HA GLN 35 10.568 -9.504 9.775 279 HB2 GLN 35 1HB GLN 35 7.990 -8.580 8.513 280 HB3 GLN 35 2HB GLN 35 8.019 -9.507 10.000 281 HG2 GLN 35 1HG GLN 35 9.327 -6.824 9.575 282 HG3 GLN 35 2HG GLN 35 7.792 -7.105 10.396 283 HE21 GLN 35 2HE2 GLN 35 10.244 -5.915 11.380 284 HE22 GLN 35 1HE2 GLN 35 10.719 -6.824 12.758 285 H ARG 36 H ARG 36 8.753 -10.296 6.816 286 HA ARG 36 HA ARG 36 8.261 -13.008 7.638 287 HB2 ARG 36 1HB ARG 36 8.222 -11.799 4.865 288 HB3 ARG 36 2HB ARG 36 7.644 -13.404 5.262 289 HG2 ARG 36 1HG ARG 36 5.876 -12.376 6.655 290 HG3 ARG 36 2HG ARG 36 6.466 -10.779 6.179 291 HD2 ARG 36 1HD ARG 36 6.069 -11.374 3.803 292 HD3 ARG 36 2HD ARG 36 5.404 -12.920 4.325 293 HE ARG 36 HE ARG 36 4.000 -10.932 5.646 294 HH11 ARG 36 1HH1 ARG 36 4.317 -12.171 2.319 295 HH12 ARG 36 2HH1 ARG 36 2.890 -11.449 1.758 296 HH21 ARG 36 1HH2 ARG 36 2.017 -9.983 4.889 297 HH22 ARG 36 2HH2 ARG 36 1.544 -10.147 3.256 298 H GLY 37 H GLY 37 10.841 -11.329 6.111 299 HA2 GLY 37 1HA GLY 37 12.903 -12.009 5.361 300 HA3 GLY 37 2HA GLY 37 12.557 -13.628 5.982 301 H ASP 38 H ASP 38 10.791 -11.613 3.776 302 HA ASP 38 HA ASP 38 10.596 -13.881 1.909 303 HB2 ASP 38 1HB ASP 38 8.526 -12.818 2.995 304 HB3 ASP 38 2HB ASP 38 8.848 -11.422 1.973 305 H TYR 39 H TYR 39 11.361 -13.636 -0.123 306 HA TYR 39 HA TYR 39 12.785 -11.144 -0.710 307 HB2 TYR 39 1HB TYR 39 14.071 -13.294 -0.620 308 HB3 TYR 39 2HB TYR 39 13.108 -13.885 -1.956 309 HD1 TYR 39 HD2 TYR 39 15.073 -10.769 -1.241 310 HD2 TYR 39 HD1 TYR 39 14.247 -13.954 -3.922 311 HE1 TYR 39 HE2 TYR 39 16.710 -9.844 -2.829 312 HE2 TYR 39 HE1 TYR 39 15.875 -13.048 -5.518 313 HH TYR 39 HH TYR 39 16.921 -11.022 -6.046 314 H ASN 40 H ASN 40 9.810 -12.048 -1.274 315 HA ASN 40 HA ASN 40 9.599 -11.785 -4.092 316 HB2 ASN 40 1HB ASN 40 7.859 -13.020 -3.088 317 HB3 ASN 40 2HB ASN 40 7.625 -11.825 -1.828 318 HD21 ASN 40 2HD2 ASN 40 5.483 -11.840 -2.230 319 HD22 ASN 40 1HD2 ASN 40 4.752 -10.990 -3.541 320 H GLY 41 H GLY 41 10.255 -10.087 -4.948 321 HA2 GLY 41 1HA GLY 41 9.515 -7.456 -3.860 322 HA3 GLY 41 2HA GLY 41 10.854 -7.753 -4.960 323 H LYS 42 H LYS 42 7.817 -9.293 -5.540 324 HA LYS 42 HA LYS 42 7.551 -7.705 -7.987 325 HB2 LYS 42 1HB LYS 42 7.643 -10.171 -8.170 326 HB3 LYS 42 2HB LYS 42 6.228 -10.297 -7.142 327 HG2 LYS 42 1HG LYS 42 5.573 -10.637 -9.415 328 HG3 LYS 42 2HG LYS 42 4.924 -9.092 -8.873 329 HD2 LYS 42 1HD LYS 42 6.753 -7.920 -9.986 330 HD3 LYS 42 2HD LYS 42 7.435 -9.462 -10.500 331 HE2 LYS 42 1HE LYS 42 5.385 -9.912 -11.785 332 HE3 LYS 42 2HE LYS 42 4.743 -8.354 -11.280 333 HZ1 LYS 42 3HZ LYS 42 7.183 -8.801 -12.891 334 HZ2 LYS 42 1HZ LYS 42 6.621 -7.293 -12.377 335 HZ3 LYS 42 2HZ LYS 42 5.714 -8.225 -13.473 336 H VAL 43 H VAL 43 5.340 -9.210 -5.638 337 HA VAL 43 HA VAL 43 3.809 -6.752 -5.429 338 HB VAL 43 HB VAL 43 1.627 -8.008 -5.668 339 HG11 VAL 43 1HG1 VAL 43 1.606 -8.105 -8.133 340 HG12 VAL 43 2HG1 VAL 43 3.360 -7.910 -8.132 341 HG13 VAL 43 3HG1 VAL 43 2.323 -6.630 -7.502 342 HG21 VAL 43 3HG2 VAL 43 2.438 -10.288 -5.353 343 HG22 VAL 43 1HG2 VAL 43 3.352 -10.185 -6.859 344 HG23 VAL 43 2HG2 VAL 43 1.590 -10.143 -6.894 345 H LEU 44 H LEU 44 3.234 -6.421 -3.393 346 HA LEU 44 HA LEU 44 3.742 -8.628 -1.533 347 HB2 LEU 44 1HB LEU 44 5.063 -6.567 -1.233 348 HB3 LEU 44 2HB LEU 44 3.580 -5.661 -1.024 349 HG LEU 44 HG LEU 44 3.111 -6.957 1.035 350 HD11 LEU 44 1HD1 LEU 44 4.339 -8.987 0.526 351 HD12 LEU 44 2HD1 LEU 44 4.906 -8.285 2.041 352 HD13 LEU 44 3HD1 LEU 44 5.860 -8.098 0.570 353 HD21 LEU 44 3HD2 LEU 44 5.784 -5.562 0.973 354 HD22 LEU 44 1HD2 LEU 44 4.808 -5.865 2.411 355 HD23 LEU 44 2HD2 LEU 44 4.209 -4.784 1.154 356 H SER 45 H SER 45 2.026 -9.604 -0.743 357 HA SER 45 HA SER 45 -0.558 -8.282 -0.851 358 HB2 SER 45 1HB SER 45 -0.272 -10.660 -1.695 359 HB3 SER 45 2HB SER 45 0.096 -11.128 -0.039 360 HG SER 45 HG SER 45 -2.162 -9.723 -0.017 361 H ILE 46 H ILE 46 -1.088 -7.134 0.853 362 HA ILE 46 HA ILE 46 -0.216 -8.128 3.461 363 HB ILE 46 HB ILE 46 -0.274 -5.940 4.425 364 HG12 ILE 46 1HG1 ILE 46 -2.182 -4.952 3.118 365 HG13 ILE 46 2HG1 ILE 46 -0.831 -3.855 3.311 366 HG21 ILE 46 1HG2 ILE 46 1.273 -5.849 1.869 367 HG22 ILE 46 2HG2 ILE 46 1.802 -6.493 3.425 368 HG23 ILE 46 3HG2 ILE 46 1.511 -4.762 3.236 369 HD11 ILE 46 3HD1 ILE 46 -0.164 -4.331 0.991 370 HD12 ILE 46 1HD1 ILE 46 -1.795 -3.669 1.125 371 HD13 ILE 46 2HD1 ILE 46 -1.573 -5.388 0.829 372 H ARG 47 H ARG 47 -1.747 -7.224 5.240 373 HA ARG 47 HA ARG 47 -4.370 -8.291 4.621 374 HB2 ARG 47 1HB ARG 47 -2.974 -7.359 7.117 375 HB3 ARG 47 2HB ARG 47 -4.686 -7.746 7.100 376 HG2 ARG 47 1HG ARG 47 -2.595 -9.704 6.225 377 HG3 ARG 47 2HG ARG 47 -3.082 -9.531 7.917 378 HD2 ARG 47 1HD ARG 47 -4.919 -10.175 5.609 379 HD3 ARG 47 2HD ARG 47 -4.323 -11.333 6.796 380 HE ARG 47 HE ARG 47 -5.678 -9.096 8.012 381 HH11 ARG 47 1HH1 ARG 47 -6.214 -12.345 6.599 382 HH12 ARG 47 2HH1 ARG 47 -7.734 -12.498 7.330 383 HH21 ARG 47 1HH2 ARG 47 -7.722 -9.340 8.933 384 HH22 ARG 47 2HH2 ARG 47 -8.627 -10.766 8.677 385 H GLN 48 H GLN 48 -6.268 -7.085 5.215 386 HA GLN 48 HA GLN 48 -6.241 -4.344 4.573 387 HB2 GLN 48 1HB GLN 48 -8.615 -4.382 5.720 388 HB3 GLN 48 2HB GLN 48 -8.368 -5.196 4.189 389 HG2 GLN 48 1HG GLN 48 -8.218 -6.638 6.831 390 HG3 GLN 48 2HG GLN 48 -9.733 -6.421 5.957 391 HE21 GLN 48 2HE2 GLN 48 -8.594 -6.708 3.328 392 HE22 GLN 48 1HE2 GLN 48 -8.133 -8.350 3.122 393 H ASP 49 H ASP 49 -5.748 -6.095 7.426 394 HA ASP 49 HA ASP 49 -5.918 -4.044 9.356 395 HB2 ASP 49 1HB ASP 49 -3.997 -6.384 9.323 396 HB3 ASP 49 2HB ASP 49 -4.552 -5.494 10.734 397 H ASP 50 H ASP 50 -3.415 -5.028 7.104 398 HA ASP 50 HA ASP 50 -1.530 -3.165 8.198 399 HB2 ASP 50 1HB ASP 50 -1.487 -4.598 5.520 400 HB3 ASP 50 2HB ASP 50 -0.171 -3.611 6.134 401 H LEU 51 H LEU 51 -3.677 -3.306 5.486 402 HA LEU 51 HA LEU 51 -3.235 -0.891 4.226 403 HB2 LEU 51 1HB LEU 51 -4.810 -2.594 3.473 404 HB3 LEU 51 2HB LEU 51 -5.848 -2.259 4.834 405 HG LEU 51 HG LEU 51 -6.102 0.082 3.874 406 HD11 LEU 51 1HD1 LEU 51 -5.697 0.329 1.483 407 HD12 LEU 51 2HD1 LEU 51 -4.950 -1.265 1.443 408 HD13 LEU 51 3HD1 LEU 51 -4.198 0.035 2.364 409 HD21 LEU 51 3HD2 LEU 51 -7.862 -1.593 3.786 410 HD22 LEU 51 1HD2 LEU 51 -7.159 -2.277 2.321 411 HD23 LEU 51 2HD2 LEU 51 -7.829 -0.647 2.300 412 H ARG 52 H ARG 52 -5.396 -1.550 6.986 413 HA ARG 52 HA ARG 52 -6.015 1.147 7.264 414 HB2 ARG 52 1HB ARG 52 -7.120 0.600 9.427 415 HB3 ARG 52 2HB ARG 52 -7.652 -0.347 8.036 416 HG2 ARG 52 1HG ARG 52 -7.620 -1.771 9.921 417 HG3 ARG 52 2HG ARG 52 -6.246 -2.191 8.901 418 HD2 ARG 52 1HD ARG 52 -5.665 -2.193 11.290 419 HD3 ARG 52 2HD ARG 52 -4.749 -0.998 10.385 420 HE ARG 52 HE ARG 52 -7.112 0.084 11.533 421 HH11 ARG 52 1HH1 ARG 52 -3.703 -0.721 12.217 422 HH12 ARG 52 2HH1 ARG 52 -3.622 0.289 13.583 423 HH21 ARG 52 1HH2 ARG 52 -6.960 1.466 13.358 424 HH22 ARG 52 2HH2 ARG 52 -5.509 1.586 14.252 425 H THR 53 H THR 53 -3.429 -0.691 8.563 426 HA THR 53 HA THR 53 -2.754 1.221 10.549 427 HB THR 53 HB THR 53 -1.042 -0.948 9.276 428 HG1 THR 53 HG1 THR 53 -2.561 -2.035 10.347 429 HG21 THR 53 3HG2 THR 53 0.365 -0.734 11.288 430 HG22 THR 53 1HG2 THR 53 -0.656 0.583 11.871 431 HG23 THR 53 2HG2 THR 53 0.310 0.798 10.414 432 H LEU 54 H LEU 54 -1.757 0.609 7.207 433 HA LEU 54 HA LEU 54 0.198 2.552 6.842 434 HB2 LEU 54 1HB LEU 54 -1.971 1.652 4.946 435 HB3 LEU 54 2HB LEU 54 -0.618 2.654 4.475 436 HG LEU 54 HG LEU 54 -0.386 -0.160 5.539 437 HD11 LEU 54 1HD1 LEU 54 0.152 -0.761 3.235 438 HD12 LEU 54 2HD1 LEU 54 -0.125 0.899 2.724 439 HD13 LEU 54 3HD1 LEU 54 -1.468 -0.069 3.327 440 HD21 LEU 54 3HD2 LEU 54 1.565 1.198 6.017 441 HD22 LEU 54 1HD2 LEU 54 1.625 1.731 4.336 442 HD23 LEU 54 2HD2 LEU 54 1.921 0.040 4.739 443 H ALA 55 H ALA 55 -3.279 2.814 6.505 444 HA ALA 55 HA ALA 55 -3.490 5.480 5.782 445 HB1 ALA 55 3HB ALA 55 -5.313 3.871 5.704 446 HB2 ALA 55 1HB ALA 55 -5.782 5.333 6.574 447 HB3 ALA 55 2HB ALA 55 -5.384 3.864 7.466 448 H VAL 56 H VAL 56 -3.208 4.021 8.980 449 HA VAL 56 HA VAL 56 -3.728 6.413 10.402 450 HB VAL 56 HB VAL 56 -2.392 3.836 11.310 451 HG11 VAL 56 1HG1 VAL 56 -1.709 5.690 12.758 452 HG12 VAL 56 2HG1 VAL 56 -2.807 4.595 13.601 453 HG13 VAL 56 3HG1 VAL 56 -3.401 6.135 12.982 454 HG21 VAL 56 3HG2 VAL 56 -4.720 3.560 10.653 455 HG22 VAL 56 1HG2 VAL 56 -5.194 4.879 11.723 456 HG23 VAL 56 2HG2 VAL 56 -4.541 3.385 12.398 457 H ILE 57 H ILE 57 -0.861 4.856 9.195 458 HA ILE 57 HA ILE 57 1.055 6.431 10.573 459 HB ILE 57 HB ILE 57 1.411 5.035 7.895 460 HG12 ILE 57 1HG1 ILE 57 1.869 3.969 10.691 461 HG13 ILE 57 2HG1 ILE 57 0.559 3.518 9.599 462 HG21 ILE 57 1HG2 ILE 57 3.215 6.599 8.400 463 HG22 ILE 57 2HG2 ILE 57 3.794 4.938 8.523 464 HG23 ILE 57 3HG2 ILE 57 3.436 5.856 9.985 465 HD11 ILE 57 3HD1 ILE 57 3.494 3.029 9.127 466 HD12 ILE 57 1HD1 ILE 57 2.179 2.564 8.048 467 HD13 ILE 57 2HD1 ILE 57 2.313 1.828 9.644 468 H TYR 58 H TYR 58 -0.709 6.869 7.569 469 HA TYR 58 HA TYR 58 0.907 9.255 6.952 470 HB2 TYR 58 1HB TYR 58 -1.183 8.041 5.140 471 HB3 TYR 58 2HB TYR 58 0.134 9.122 4.702 472 HD1 TYR 58 HD2 TYR 58 2.388 7.730 6.137 473 HD2 TYR 58 HD1 TYR 58 -0.786 6.201 3.775 474 HE1 TYR 58 HE2 TYR 58 3.714 5.734 5.652 475 HE2 TYR 58 HE1 TYR 58 0.548 4.196 3.284 476 HH TYR 58 HH TYR 58 3.324 3.412 5.021 477 H ASP 59 H ASP 59 -1.691 8.619 8.712 478 HA ASP 59 HA ASP 59 -3.433 9.740 9.542 479 HB2 ASP 59 1HB ASP 59 -2.015 12.119 8.319 480 HB3 ASP 59 2HB ASP 59 -3.441 12.223 9.353 481 H GLN 60 H GLN 60 -3.809 8.482 7.119 482 HA GLN 60 HA GLN 60 -5.704 10.239 5.711 483 HB2 GLN 60 1HB GLN 60 -4.331 7.731 4.741 484 HB3 GLN 60 2HB GLN 60 -5.533 8.631 3.836 485 HG2 GLN 60 1HG GLN 60 -4.024 10.559 3.793 486 HG3 GLN 60 2HG GLN 60 -2.812 9.617 4.661 487 HE21 GLN 60 2HE2 GLN 60 -1.352 9.754 3.000 488 HE22 GLN 60 1HE2 GLN 60 -1.509 8.881 1.524 489 H SER 61 H SER 61 -7.619 9.108 4.910 490 HA SER 61 HA SER 61 -8.780 7.368 6.872 491 HB2 SER 61 1HB SER 61 -10.182 9.011 5.775 492 HB3 SER 61 2HB SER 61 -9.747 8.385 4.184 493 HG SER 61 HG SER 61 -11.508 7.423 6.094 494 HA PRO 62 HA PRO 62 -7.236 3.544 5.062 495 HB2 PRO 62 1HB PRO 62 -9.891 2.495 5.912 496 HB3 PRO 62 2HB PRO 62 -8.284 1.840 6.231 497 HG2 PRO 62 1HG PRO 62 -9.621 3.109 8.141 498 HG3 PRO 62 2HG PRO 62 -7.874 3.337 7.955 499 HD2 PRO 62 1HD PRO 62 -10.109 5.176 7.212 500 HD3 PRO 62 2HD PRO 62 -8.490 5.549 7.827 501 H SER 63 H SER 63 -10.591 4.519 4.492 502 HA SER 63 HA SER 63 -11.039 2.998 2.187 503 HB2 SER 63 1HB SER 63 -12.263 5.645 3.002 504 HB3 SER 63 2HB SER 63 -12.961 4.470 1.885 505 HG SER 63 HG SER 63 -13.615 3.317 3.480 506 H VAL 64 H VAL 64 -9.761 6.267 2.657 507 HA VAL 64 HA VAL 64 -9.635 6.882 -0.141 508 HB VAL 64 HB VAL 64 -8.354 8.289 2.223 509 HG11 VAL 64 1HG1 VAL 64 -8.179 10.229 0.728 510 HG12 VAL 64 2HG1 VAL 64 -8.792 9.255 -0.607 511 HG13 VAL 64 3HG1 VAL 64 -7.236 8.864 0.126 512 HG21 VAL 64 3HG2 VAL 64 -10.894 8.918 0.732 513 HG22 VAL 64 1HG2 VAL 64 -10.207 9.831 2.071 514 HG23 VAL 64 2HG2 VAL 64 -10.805 8.188 2.337 515 H LEU 65 H LEU 65 -7.374 5.857 2.344 516 HA LEU 65 HA LEU 65 -4.984 5.991 0.943 517 HB2 LEU 65 1HB LEU 65 -5.283 5.560 3.397 518 HB3 LEU 65 2HB LEU 65 -5.835 3.952 3.024 519 HG LEU 65 HG LEU 65 -3.488 4.154 3.925 520 HD11 LEU 65 1HD1 LEU 65 -4.162 2.133 2.827 521 HD12 LEU 65 2HD1 LEU 65 -2.487 2.516 2.417 522 HD13 LEU 65 3HD1 LEU 65 -3.777 2.825 1.253 523 HD21 LEU 65 3HD2 LEU 65 -2.796 6.145 2.735 524 HD22 LEU 65 1HD2 LEU 65 -2.924 5.289 1.197 525 HD23 LEU 65 2HD2 LEU 65 -1.710 4.798 2.377 526 H THR 66 H THR 66 -7.419 3.438 1.064 527 HA THR 66 HA THR 66 -6.190 1.518 -0.536 528 HB THR 66 HB THR 66 -9.147 2.200 -0.396 529 HG1 THR 66 HG1 THR 66 -8.331 1.762 1.690 530 HG21 THR 66 3HG2 THR 66 -7.746 -0.391 -1.109 531 HG22 THR 66 1HG2 THR 66 -8.597 0.663 -2.239 532 HG23 THR 66 2HG2 THR 66 -9.491 -0.170 -0.968 533 H GLU 67 H GLU 67 -8.350 4.215 -1.428 534 HA GLU 67 HA GLU 67 -8.326 3.653 -4.177 535 HB2 GLU 67 1HB GLU 67 -8.988 6.236 -2.763 536 HB3 GLU 67 2HB GLU 67 -9.312 5.899 -4.459 537 HG2 GLU 67 1HG GLU 67 -10.763 4.017 -3.760 538 HG3 GLU 67 2HG GLU 67 -10.503 4.484 -2.083 539 H GLN 68 H GLN 68 -6.326 5.813 -2.190 540 HA GLN 68 HA GLN 68 -4.983 7.107 -4.216 541 HB2 GLN 68 1HB GLN 68 -4.141 6.326 -1.442 542 HB3 GLN 68 2HB GLN 68 -3.074 7.234 -2.493 543 HG2 GLN 68 1HG GLN 68 -5.842 8.184 -1.831 544 HG3 GLN 68 2HG GLN 68 -4.493 8.496 -0.752 545 HE21 GLN 68 2HE2 GLN 68 -4.042 8.574 -4.274 546 HE22 GLN 68 1HE2 GLN 68 -3.912 10.273 -4.374 547 H LEU 69 H LEU 69 -4.125 4.087 -2.576 548 HA LEU 69 HA LEU 69 -1.805 3.495 -4.021 549 HB2 LEU 69 1HB LEU 69 -3.769 1.888 -2.456 550 HB3 LEU 69 2HB LEU 69 -2.634 1.050 -3.486 551 HG LEU 69 HG LEU 69 -1.963 1.162 -1.104 552 HD11 LEU 69 1HD1 LEU 69 -0.317 0.815 -2.863 553 HD12 LEU 69 2HD1 LEU 69 0.348 1.721 -1.512 554 HD13 LEU 69 3HD1 LEU 69 -0.085 2.561 -3.000 555 HD21 LEU 69 3HD2 LEU 69 -1.546 4.098 -1.647 556 HD22 LEU 69 1HD2 LEU 69 -1.059 3.236 -0.189 557 HD23 LEU 69 2HD2 LEU 69 -2.772 3.419 -0.582 558 H ILE 70 H ILE 70 -5.168 2.916 -4.759 559 HA ILE 70 HA ILE 70 -4.684 1.312 -7.065 560 HB ILE 70 HB ILE 70 -7.166 2.829 -6.184 561 HG12 ILE 70 1HG1 ILE 70 -6.508 -0.122 -6.023 562 HG13 ILE 70 2HG1 ILE 70 -6.389 1.008 -4.684 563 HG21 ILE 70 1HG2 ILE 70 -7.257 2.476 -8.591 564 HG22 ILE 70 2HG2 ILE 70 -8.413 1.422 -7.781 565 HG23 ILE 70 3HG2 ILE 70 -6.888 0.765 -8.378 566 HD11 ILE 70 3HD1 ILE 70 -8.910 0.288 -6.163 567 HD12 ILE 70 1HD1 ILE 70 -8.791 1.401 -4.802 568 HD13 ILE 70 2HD1 ILE 70 -8.425 -0.306 -4.573 569 H SER 71 H SER 71 -5.242 4.755 -6.508 570 HA SER 71 HA SER 71 -5.429 5.591 -9.175 571 HB2 SER 71 1HB SER 71 -4.336 7.112 -6.804 572 HB3 SER 71 2HB SER 71 -4.961 7.810 -8.299 573 HG SER 71 HG SER 71 -6.838 6.235 -7.476 574 H TRP 72 H TRP 72 -2.616 5.061 -7.105 575 HA TRP 72 HA TRP 72 -0.746 6.097 -9.023 576 HB2 TRP 72 1HB TRP 72 -0.211 4.231 -6.708 577 HB3 TRP 72 2HB TRP 72 0.991 5.181 -7.573 578 HD1 TRP 72 HD1 TRP 72 -0.915 7.913 -7.425 579 HE1 TRP 72 HE1 TRP 72 -0.961 9.163 -5.190 580 HE3 TRP 72 HE3 TRP 72 0.745 4.175 -4.406 581 HZ2 TRP 72 HZ2 TRP 72 -0.367 8.635 -2.472 582 HZ3 TRP 72 HZ3 TRP 72 0.999 4.620 -1.989 583 HH2 TRP 72 HH2 TRP 72 0.460 6.800 -1.045 584 H GLY 73 H GLY 73 -2.516 3.276 -8.774 585 HA2 GLY 73 1HA GLY 73 -2.586 1.433 -10.164 586 HA3 GLY 73 2HA GLY 73 -1.159 2.051 -10.996 587 H VAL 74 H VAL 74 -1.308 1.624 -7.579 588 HA VAL 74 HA VAL 74 0.827 -0.360 -7.802 589 HB VAL 74 HB VAL 74 -0.074 1.242 -5.379 590 HG11 VAL 74 1HG1 VAL 74 1.962 0.417 -4.310 591 HG12 VAL 74 2HG1 VAL 74 2.340 -0.510 -5.763 592 HG13 VAL 74 3HG1 VAL 74 0.915 -0.921 -4.808 593 HG21 VAL 74 3HG2 VAL 74 1.972 2.515 -5.669 594 HG22 VAL 74 1HG2 VAL 74 0.985 2.618 -7.126 595 HG23 VAL 74 2HG2 VAL 74 2.397 1.559 -7.082 596 H LEU 75 H LEU 75 -2.222 0.226 -6.127 597 HA LEU 75 HA LEU 75 -2.326 -2.586 -5.326 598 HB2 LEU 75 1HB LEU 75 -2.757 -0.900 -3.624 599 HB3 LEU 75 2HB LEU 75 -4.040 -0.205 -4.597 600 HG LEU 75 HG LEU 75 -5.355 -2.284 -4.248 601 HD11 LEU 75 1HD1 LEU 75 -3.511 -3.847 -3.897 602 HD12 LEU 75 2HD1 LEU 75 -4.625 -3.871 -2.531 603 HD13 LEU 75 3HD1 LEU 75 -3.087 -3.023 -2.398 604 HD21 LEU 75 3HD2 LEU 75 -4.381 -0.917 -1.740 605 HD22 LEU 75 1HD2 LEU 75 -5.868 -1.853 -1.891 606 HD23 LEU 75 2HD2 LEU 75 -5.677 -0.356 -2.798 607 H ASP 76 H ASP 76 -3.949 -3.932 -6.040 608 HA ASP 76 HA ASP 76 -4.984 -3.394 -8.617 609 HB2 ASP 76 1HB ASP 76 -4.430 -5.689 -7.867 610 HB3 ASP 76 2HB ASP 76 -5.746 -5.618 -6.699 611 H ALA 77 H ALA 77 -7.046 -2.943 -9.299 612 HA ALA 77 HA ALA 77 -8.335 -0.976 -7.865 613 HB1 ALA 77 3HB ALA 77 -8.372 -1.169 -10.315 614 HB2 ALA 77 1HB ALA 77 -9.975 -0.929 -9.620 615 HB3 ALA 77 2HB ALA 77 -9.490 -2.528 -10.170 616 H ASP 78 H ASP 78 -9.248 -4.312 -8.251 617 HA ASP 78 HA ASP 78 -11.780 -4.387 -7.206 618 HB2 ASP 78 1HB ASP 78 -9.594 -6.387 -7.176 619 HB3 ASP 78 2HB ASP 78 -11.020 -6.699 -6.197 620 H ALA 79 H ALA 79 -8.942 -3.802 -5.343 621 HA ALA 79 HA ALA 79 -9.842 -4.513 -2.794 622 HB1 ALA 79 3HB ALA 79 -8.153 -2.975 -1.951 623 HB2 ALA 79 1HB ALA 79 -8.001 -2.251 -3.551 624 HB3 ALA 79 2HB ALA 79 -7.522 -3.929 -3.295 625 H ARG 80 H ARG 80 -10.555 -1.723 -4.773 626 HA ARG 80 HA ARG 80 -11.601 0.015 -2.788 627 HB2 ARG 80 1HB ARG 80 -12.626 1.265 -4.626 628 HB3 ARG 80 2HB ARG 80 -11.014 0.758 -5.106 629 HG2 ARG 80 1HG ARG 80 -12.136 -1.195 -6.289 630 HG3 ARG 80 2HG ARG 80 -13.660 -0.366 -6.007 631 HD2 ARG 80 1HD ARG 80 -11.303 0.769 -7.498 632 HD3 ARG 80 2HD ARG 80 -12.693 0.028 -8.262 633 HE ARG 80 HE ARG 80 -13.123 2.323 -6.487 634 HH11 ARG 80 1HH1 ARG 80 -13.098 1.109 -9.824 635 HH12 ARG 80 2HH1 ARG 80 -13.975 2.418 -10.446 636 HH21 ARG 80 1HH2 ARG 80 -14.264 4.105 -7.343 637 HH22 ARG 80 2HH2 ARG 80 -14.650 4.198 -9.006 638 H ARG 81 H ARG 81 -12.957 -2.645 -4.592 639 HA ARG 81 HA ARG 81 -15.613 -2.082 -3.656 640 HB2 ARG 81 1HB ARG 81 -15.110 -2.968 -5.967 641 HB3 ARG 81 2HB ARG 81 -14.681 -4.491 -5.202 642 HG2 ARG 81 1HG ARG 81 -16.964 -4.557 -6.065 643 HG3 ARG 81 2HG ARG 81 -16.946 -4.681 -4.303 644 HD2 ARG 81 1HD ARG 81 -17.492 -2.333 -4.087 645 HD3 ARG 81 2HD ARG 81 -17.400 -2.122 -5.835 646 HE ARG 81 HE ARG 81 -19.266 -3.939 -5.666 647 HH11 ARG 81 1HH1 ARG 81 -18.810 -1.062 -3.664 648 HH12 ARG 81 2HH1 ARG 81 -20.473 -0.814 -3.384 649 HH21 ARG 81 1HH2 ARG 81 -21.552 -3.531 -5.385 650 HH22 ARG 81 2HH2 ARG 81 -22.070 -2.221 -4.420 651 H ALA 82 H ALA 82 -12.947 -4.189 -2.978 652 HA ALA 82 HA ALA 82 -14.208 -6.037 -1.294 653 HB1 ALA 82 3HB ALA 82 -11.973 -6.467 -0.380 654 HB2 ALA 82 1HB ALA 82 -11.376 -4.989 -1.139 655 HB3 ALA 82 2HB ALA 82 -11.920 -6.341 -2.139 656 H VAL 83 H VAL 83 -12.526 -3.002 -0.525 657 HA VAL 83 HA VAL 83 -14.126 -2.977 1.886 658 HB VAL 83 HB VAL 83 -11.787 -3.035 2.482 659 HG11 VAL 83 1HG1 VAL 83 -11.391 -0.524 0.870 660 HG12 VAL 83 2HG1 VAL 83 -10.741 -2.121 0.513 661 HG13 VAL 83 3HG1 VAL 83 -10.192 -1.245 1.944 662 HG21 VAL 83 3HG2 VAL 83 -13.209 -1.775 3.963 663 HG22 VAL 83 1HG2 VAL 83 -12.955 -0.310 3.013 664 HG23 VAL 83 2HG2 VAL 83 -11.614 -1.031 3.909 665 H ALA 84 H ALA 84 -15.841 -2.262 0.879 666 HA ALA 84 HA ALA 84 -15.762 0.387 -0.376 667 HB1 ALA 84 3HB ALA 84 -16.611 -1.430 -1.783 668 HB2 ALA 84 1HB ALA 84 -17.875 -0.250 -1.440 669 HB3 ALA 84 2HB ALA 84 -17.847 -1.788 -0.580 670 H SER 85 H SER 85 -17.829 1.646 -0.031 671 HA SER 85 HA SER 85 -18.298 1.859 2.806 672 HB2 SER 85 1HB SER 85 -19.523 3.442 0.546 673 HB3 SER 85 2HB SER 85 -19.396 3.922 2.236 674 HG SER 85 HG SER 85 -17.387 4.492 1.955 675 H HIS 86 H HIS 86 -20.031 1.080 -0.157 676 HA HIS 86 HA HIS 86 -22.333 0.155 1.411 677 HB2 HIS 86 1HB HIS 86 -22.835 1.999 -0.174 678 HB3 HIS 86 2HB HIS 86 -22.181 1.039 -1.490 679 HD1 HIS 86 HD1 HIS 86 -23.825 -0.508 -2.679 680 HD2 HIS 86 HD2 HIS 86 -25.291 0.968 0.921 681 HE1 HIS 86 HE1 HIS 86 -26.256 -1.153 -2.600 682 H ASP 87 H ASP 87 -22.174 -1.966 1.669 683 HA ASP 87 HA ASP 87 -20.690 -3.601 -0.163 684 HB2 ASP 87 1HB ASP 87 -22.220 -4.247 2.344 685 HB3 ASP 87 2HB ASP 87 -21.580 -5.510 1.304 686 H GLU 88 H GLU 88 -21.431 -5.149 -1.449 687 HA GLU 88 HA GLU 88 -24.271 -4.917 -2.150 688 HB2 GLU 88 1HB GLU 88 -22.529 -4.415 -3.898 689 HB3 GLU 88 2HB GLU 88 -22.034 -6.098 -3.805 690 HG2 GLU 88 1HG GLU 88 -23.477 -5.762 -5.707 691 HG3 GLU 88 2HG GLU 88 -24.281 -6.781 -4.516 692 H LEU 89 H LEU 89 -21.954 -6.939 -0.717 693 HA LEU 89 HA LEU 89 -23.757 -9.219 -1.019 694 HB2 LEU 89 1HB LEU 89 -21.465 -9.538 -1.965 695 HB3 LEU 89 2HB LEU 89 -20.802 -9.245 -0.373 696 HG LEU 89 HG LEU 89 -21.980 -11.271 0.452 697 HD11 LEU 89 1HD1 LEU 89 -22.879 -12.859 -1.177 698 HD12 LEU 89 2HD1 LEU 89 -22.663 -11.663 -2.456 699 HD13 LEU 89 3HD1 LEU 89 -23.801 -11.359 -1.145 700 HD21 LEU 89 3HD2 LEU 89 -19.656 -11.389 -0.243 701 HD22 LEU 89 1HD2 LEU 89 -20.156 -11.696 -1.906 702 HD23 LEU 89 2HD2 LEU 89 -20.510 -12.880 -0.649 Start of MODEL 8 1 H1 MET 1 1H MET 1 -13.904 -22.066 0.495 2 H2 MET 1 2H MET 1 -15.281 -22.623 -0.306 3 H3 MET 1 3H MET 1 -15.187 -22.752 1.367 4 HA MET 1 HA MET 1 -16.621 -20.942 0.648 5 HB2 MET 1 1HB MET 1 -14.029 -19.933 1.857 6 HB3 MET 1 2HB MET 1 -15.589 -19.140 1.964 7 HG2 MET 1 1HG MET 1 -14.803 -21.761 3.213 8 HG3 MET 1 2HG MET 1 -15.075 -20.234 4.043 9 HE1 MET 1 3HE MET 1 -18.953 -19.764 3.574 10 HE2 MET 1 1HE MET 1 -17.692 -19.154 2.502 11 HE3 MET 1 2HE MET 1 -17.474 -19.080 4.248 12 H GLU 2 H GLU 2 -16.781 -18.913 -0.505 13 HA GLU 2 HA GLU 2 -15.285 -18.843 -2.895 14 HB2 GLU 2 1HB GLU 2 -17.166 -16.840 -1.639 15 HB3 GLU 2 2HB GLU 2 -16.423 -16.599 -3.213 16 HG2 GLU 2 1HG GLU 2 -17.539 -18.560 -4.078 17 HG3 GLU 2 2HG GLU 2 -18.205 -18.917 -2.487 18 HA PRO 3 HA PRO 3 -11.739 -16.746 -1.127 19 HB2 PRO 3 1HB PRO 3 -10.473 -16.298 -3.550 20 HB3 PRO 3 2HB PRO 3 -10.331 -17.787 -2.613 21 HG2 PRO 3 1HG PRO 3 -12.032 -17.192 -4.983 22 HG3 PRO 3 2HG PRO 3 -11.195 -18.690 -4.545 23 HD2 PRO 3 1HD PRO 3 -13.850 -18.348 -4.218 24 HD3 PRO 3 2HD PRO 3 -12.877 -19.373 -3.145 25 HA PRO 4 HA PRO 4 -13.352 -12.663 -1.900 26 HB2 PRO 4 1HB PRO 4 -12.117 -11.423 0.122 27 HB3 PRO 4 2HB PRO 4 -13.382 -12.621 0.430 28 HG2 PRO 4 1HG PRO 4 -10.407 -12.937 0.560 29 HG3 PRO 4 2HG PRO 4 -11.650 -13.525 1.680 30 HD2 PRO 4 1HD PRO 4 -10.475 -15.059 -0.266 31 HD3 PRO 4 2HD PRO 4 -12.081 -15.366 0.423 32 HA PRO 5 HA PRO 5 -10.430 -10.107 -4.219 33 HB2 PRO 5 1HB PRO 5 -10.618 -7.736 -2.721 34 HB3 PRO 5 2HB PRO 5 -11.637 -8.172 -4.095 35 HG2 PRO 5 1HG PRO 5 -12.163 -8.483 -1.170 36 HG3 PRO 5 2HG PRO 5 -13.284 -8.019 -2.459 37 HD2 PRO 5 1HD PRO 5 -13.356 -10.447 -1.442 38 HD3 PRO 5 2HD PRO 5 -13.509 -10.223 -3.198 39 H LYS 6 H LYS 6 -8.261 -9.906 -4.119 40 HA LYS 6 HA LYS 6 -6.998 -10.293 -1.508 41 HB2 LYS 6 1HB LYS 6 -5.627 -10.459 -4.208 42 HB3 LYS 6 2HB LYS 6 -5.028 -11.042 -2.671 43 HG2 LYS 6 1HG LYS 6 -5.622 -12.983 -3.834 44 HG3 LYS 6 2HG LYS 6 -6.999 -12.703 -2.768 45 HD2 LYS 6 1HD LYS 6 -8.221 -11.647 -4.596 46 HD3 LYS 6 2HD LYS 6 -6.834 -11.860 -5.659 47 HE2 LYS 6 1HE LYS 6 -7.070 -14.287 -5.450 48 HE3 LYS 6 2HE LYS 6 -8.463 -14.055 -4.390 49 HZ1 LYS 6 3HZ LYS 6 -9.240 -14.443 -6.615 50 HZ2 LYS 6 1HZ LYS 6 -8.285 -13.197 -7.239 51 HZ3 LYS 6 2HZ LYS 6 -9.556 -12.875 -6.197 52 H LEU 7 H LEU 7 -5.755 -8.717 -0.636 53 HA LEU 7 HA LEU 7 -5.570 -6.265 -2.170 54 HB2 LEU 7 1HB LEU 7 -4.881 -6.789 0.730 55 HB3 LEU 7 2HB LEU 7 -4.752 -5.237 -0.059 56 HG LEU 7 HG LEU 7 -7.290 -5.432 -0.448 57 HD11 LEU 7 1HD1 LEU 7 -7.576 -7.775 0.069 58 HD12 LEU 7 2HD1 LEU 7 -8.527 -6.766 1.162 59 HD13 LEU 7 3HD1 LEU 7 -7.023 -7.498 1.721 60 HD21 LEU 7 3HD2 LEU 7 -6.195 -5.116 2.326 61 HD22 LEU 7 1HD2 LEU 7 -7.765 -4.533 1.770 62 HD23 LEU 7 2HD2 LEU 7 -6.277 -3.869 1.083 63 H VAL 8 H VAL 8 -4.000 -6.544 -3.585 64 HA VAL 8 HA VAL 8 -1.422 -7.463 -2.571 65 HB VAL 8 HB VAL 8 -2.294 -7.179 -5.467 66 HG11 VAL 8 1HG1 VAL 8 0.098 -6.981 -5.191 67 HG12 VAL 8 2HG1 VAL 8 -0.316 -8.502 -5.981 68 HG13 VAL 8 3HG1 VAL 8 0.133 -8.487 -4.275 69 HG21 VAL 8 3HG2 VAL 8 -3.581 -8.930 -4.352 70 HG22 VAL 8 1HG2 VAL 8 -2.089 -9.663 -3.765 71 HG23 VAL 8 2HG2 VAL 8 -2.430 -9.625 -5.494 72 H LEU 9 H LEU 9 0.099 -6.063 -2.243 73 HA LEU 9 HA LEU 9 -0.143 -3.332 -3.237 74 HB2 LEU 9 1HB LEU 9 0.240 -3.860 -0.795 75 HB3 LEU 9 2HB LEU 9 1.776 -4.562 -1.243 76 HG LEU 9 HG LEU 9 2.443 -2.293 -2.121 77 HD11 LEU 9 1HD1 LEU 9 0.190 -1.375 -2.376 78 HD12 LEU 9 2HD1 LEU 9 1.196 -0.362 -1.344 79 HD13 LEU 9 3HD1 LEU 9 -0.022 -1.417 -0.626 80 HD21 LEU 9 3HD2 LEU 9 1.765 -2.525 0.811 81 HD22 LEU 9 1HD2 LEU 9 2.927 -1.399 0.107 82 HD23 LEU 9 2HD2 LEU 9 3.225 -3.135 0.029 83 H ASP 10 H ASP 10 0.934 -2.954 -5.059 84 HA ASP 10 HA ASP 10 2.900 -4.793 -6.121 85 HB2 ASP 10 1HB ASP 10 1.109 -3.491 -7.418 86 HB3 ASP 10 2HB ASP 10 2.137 -2.088 -7.194 87 H LEU 11 H LEU 11 4.969 -4.646 -5.482 88 HA LEU 11 HA LEU 11 5.849 -2.312 -4.051 89 HB2 LEU 11 1HB LEU 11 7.319 -4.851 -4.713 90 HB3 LEU 11 2HB LEU 11 7.890 -3.594 -3.635 91 HG LEU 11 HG LEU 11 5.503 -5.384 -3.189 92 HD11 LEU 11 1HD1 LEU 11 6.833 -6.249 -1.318 93 HD12 LEU 11 2HD1 LEU 11 8.180 -5.223 -1.820 94 HD13 LEU 11 3HD1 LEU 11 7.616 -6.516 -2.875 95 HD21 LEU 11 3HD2 LEU 11 6.633 -3.184 -1.455 96 HD22 LEU 11 1HD2 LEU 11 5.371 -4.317 -0.973 97 HD23 LEU 11 2HD2 LEU 11 5.068 -3.170 -2.272 98 H GLU 12 H GLU 12 6.032 -3.400 -7.261 99 HA GLU 12 HA GLU 12 8.458 -1.944 -7.812 100 HB2 GLU 12 1HB GLU 12 6.567 -3.367 -9.680 101 HB3 GLU 12 2HB GLU 12 8.102 -2.651 -10.155 102 HG2 GLU 12 1HG GLU 12 7.716 -4.948 -8.239 103 HG3 GLU 12 2HG GLU 12 8.322 -5.041 -9.890 104 H ARG 13 H ARG 13 5.030 -1.704 -8.605 105 HA ARG 13 HA ARG 13 5.257 0.780 -9.940 106 HB2 ARG 13 1HB ARG 13 3.301 -0.711 -10.191 107 HB3 ARG 13 2HB ARG 13 2.858 -0.410 -8.522 108 HG2 ARG 13 1HG ARG 13 1.461 0.883 -10.006 109 HG3 ARG 13 2HG ARG 13 2.483 1.950 -9.046 110 HD2 ARG 13 1HD ARG 13 4.033 2.138 -10.964 111 HD3 ARG 13 2HD ARG 13 2.937 1.129 -11.911 112 HE ARG 13 HE ARG 13 1.354 3.119 -11.030 113 HH11 ARG 13 1HH1 ARG 13 4.424 3.099 -12.810 114 HH12 ARG 13 2HH1 ARG 13 4.116 4.570 -13.618 115 HH21 ARG 13 1HH2 ARG 13 0.960 5.154 -12.170 116 HH22 ARG 13 2HH2 ARG 13 2.143 5.736 -13.254 117 H LEU 14 H LEU 14 4.998 -0.131 -6.625 118 HA LEU 14 HA LEU 14 4.278 2.288 -5.426 119 HB2 LEU 14 1HB LEU 14 4.356 0.126 -4.277 120 HB3 LEU 14 2HB LEU 14 6.097 0.109 -4.414 121 HG LEU 14 HG LEU 14 6.211 2.068 -2.914 122 HD11 LEU 14 1HD1 LEU 14 4.249 2.776 -1.685 123 HD12 LEU 14 2HD1 LEU 14 3.247 1.643 -2.582 124 HD13 LEU 14 3HD1 LEU 14 3.988 3.011 -3.414 125 HD21 LEU 14 3HD2 LEU 14 5.632 0.856 -0.882 126 HD22 LEU 14 1HD2 LEU 14 6.425 -0.205 -2.043 127 HD23 LEU 14 2HD2 LEU 14 4.676 -0.286 -1.822 128 H ALA 15 H ALA 15 7.358 1.154 -6.670 129 HA ALA 15 HA ALA 15 8.900 3.203 -5.381 130 HB1 ALA 15 3HB ALA 15 9.872 1.026 -5.896 131 HB2 ALA 15 1HB ALA 15 10.773 2.331 -6.673 132 HB3 ALA 15 2HB ALA 15 9.655 1.345 -7.620 133 H THR 16 H THR 16 7.204 2.890 -8.395 134 HA THR 16 HA THR 16 8.553 5.131 -9.537 135 HB THR 16 HB THR 16 6.701 5.045 -11.300 136 HG1 THR 16 HG1 THR 16 5.474 3.508 -9.558 137 HG21 THR 16 3HG2 THR 16 8.322 2.546 -10.814 138 HG22 THR 16 1HG2 THR 16 8.881 4.002 -11.637 139 HG23 THR 16 2HG2 THR 16 7.598 3.021 -12.350 140 H VAL 17 H VAL 17 6.125 4.770 -7.266 141 HA VAL 17 HA VAL 17 4.871 7.310 -7.750 142 HB VAL 17 HB VAL 17 4.705 5.426 -5.365 143 HG11 VAL 17 1HG1 VAL 17 4.148 7.728 -4.729 144 HG12 VAL 17 2HG1 VAL 17 2.716 6.697 -4.706 145 HG13 VAL 17 3HG1 VAL 17 2.974 7.811 -6.045 146 HG21 VAL 17 3HG2 VAL 17 2.810 5.856 -7.667 147 HG22 VAL 17 1HG2 VAL 17 2.509 4.822 -6.270 148 HG23 VAL 17 2HG2 VAL 17 3.815 4.433 -7.389 149 HA PRO 18 HA PRO 18 8.098 9.880 -6.039 150 HB2 PRO 18 1HB PRO 18 5.675 11.221 -4.895 151 HB3 PRO 18 2HB PRO 18 7.087 11.944 -5.673 152 HG2 PRO 18 1HG PRO 18 4.834 11.655 -7.023 153 HG3 PRO 18 2HG PRO 18 6.396 11.341 -7.798 154 HD2 PRO 18 1HD PRO 18 4.307 9.426 -6.920 155 HD3 PRO 18 2HD PRO 18 5.504 9.286 -8.222 156 H ALA 19 H ALA 19 9.238 9.885 -4.227 157 HA ALA 19 HA ALA 19 8.689 8.265 -2.025 158 HB1 ALA 19 3HB ALA 19 10.643 10.561 -2.189 159 HB2 ALA 19 1HB ALA 19 10.958 8.910 -2.718 160 HB3 ALA 19 2HB ALA 19 10.679 9.249 -1.012 161 H GLU 20 H GLU 20 7.918 11.564 -2.653 162 HA GLU 20 HA GLU 20 7.304 12.558 -0.126 163 HB2 GLU 20 1HB GLU 20 5.839 13.017 -2.722 164 HB3 GLU 20 2HB GLU 20 5.625 13.982 -1.273 165 HG2 GLU 20 1HG GLU 20 7.921 14.716 -1.395 166 HG3 GLU 20 2HG GLU 20 8.194 13.708 -2.816 167 H LYS 21 H LYS 21 5.611 10.195 -2.050 168 HA LYS 21 HA LYS 21 3.401 10.198 -0.099 169 HB2 LYS 21 1HB LYS 21 3.378 9.059 -2.897 170 HB3 LYS 21 2HB LYS 21 2.028 9.148 -1.788 171 HG2 LYS 21 1HG LYS 21 2.119 11.608 -1.918 172 HG3 LYS 21 2HG LYS 21 3.421 11.470 -3.102 173 HD2 LYS 21 1HD LYS 21 1.914 10.131 -4.544 174 HD3 LYS 21 2HD LYS 21 0.617 10.397 -3.379 175 HE2 LYS 21 1HE LYS 21 2.072 12.506 -4.965 176 HE3 LYS 21 2HE LYS 21 0.434 11.928 -5.250 177 HZ1 LYS 21 3HZ LYS 21 1.386 13.462 -2.883 178 HZ2 LYS 21 1HZ LYS 21 -0.175 12.825 -3.025 179 HZ3 LYS 21 2HZ LYS 21 0.363 13.987 -4.098 180 H ALA 22 H ALA 22 5.551 8.132 -2.034 181 HA ALA 22 HA ALA 22 4.541 5.756 -0.736 182 HB1 ALA 22 3HB ALA 22 6.650 6.048 -2.852 183 HB2 ALA 22 1HB ALA 22 4.930 5.800 -3.138 184 HB3 ALA 22 2HB ALA 22 5.879 4.549 -2.332 185 H GLY 23 H GLY 23 7.043 7.925 -0.077 186 HA2 GLY 23 1HA GLY 23 9.318 6.530 0.470 187 HA3 GLY 23 2HA GLY 23 8.793 7.905 1.412 188 HA PRO 24 HA PRO 24 8.372 5.285 4.947 189 HB2 PRO 24 1HB PRO 24 5.658 6.224 5.580 190 HB3 PRO 24 2HB PRO 24 7.148 6.428 6.500 191 HG2 PRO 24 1HG PRO 24 6.050 8.517 5.236 192 HG3 PRO 24 2HG PRO 24 7.806 8.304 5.309 193 HD2 PRO 24 1HD PRO 24 5.932 7.655 3.053 194 HD3 PRO 24 2HD PRO 24 7.502 8.487 3.006 195 H LEU 25 H LEU 25 5.748 5.167 2.676 196 HA LEU 25 HA LEU 25 4.430 2.940 3.716 197 HB2 LEU 25 1HB LEU 25 3.599 4.587 2.000 198 HB3 LEU 25 2HB LEU 25 4.537 3.802 0.782 199 HG LEU 25 HG LEU 25 2.177 2.635 2.286 200 HD11 LEU 25 1HD1 LEU 25 1.038 2.778 0.147 201 HD12 LEU 25 2HD1 LEU 25 2.444 3.598 -0.537 202 HD13 LEU 25 3HD1 LEU 25 1.527 4.354 0.764 203 HD21 LEU 25 3HD2 LEU 25 3.747 0.852 1.632 204 HD22 LEU 25 1HD2 LEU 25 3.713 1.442 -0.029 205 HD23 LEU 25 2HD2 LEU 25 2.252 0.777 0.697 206 H GLN 26 H GLN 26 7.018 3.379 1.331 207 HA GLN 26 HA GLN 26 7.464 0.684 0.645 208 HB2 GLN 26 1HB GLN 26 9.392 3.016 0.640 209 HB3 GLN 26 2HB GLN 26 9.726 1.451 -0.085 210 HG2 GLN 26 1HG GLN 26 7.869 1.765 -1.624 211 HG3 GLN 26 2HG GLN 26 7.531 3.339 -0.900 212 HE21 GLN 26 2HE2 GLN 26 9.674 1.507 -2.901 213 HE22 GLN 26 1HE2 GLN 26 10.558 2.844 -3.535 214 H ARG 27 H ARG 27 8.459 2.596 3.334 215 HA ARG 27 HA ARG 27 10.555 0.920 4.287 216 HB2 ARG 27 1HB ARG 27 8.813 2.867 5.786 217 HB3 ARG 27 2HB ARG 27 10.294 2.156 6.412 218 HG2 ARG 27 1HG ARG 27 11.546 3.232 4.606 219 HG3 ARG 27 2HG ARG 27 10.051 3.926 3.987 220 HD2 ARG 27 1HD ARG 27 9.812 5.085 6.237 221 HD3 ARG 27 2HD ARG 27 11.446 4.534 6.578 222 HE ARG 27 HE ARG 27 11.625 5.723 4.155 223 HH11 ARG 27 1HH1 ARG 27 10.747 6.793 7.413 224 HH12 ARG 27 2HH1 ARG 27 11.077 8.441 7.124 225 HH21 ARG 27 1HH2 ARG 27 12.052 8.019 3.754 226 HH22 ARG 27 2HH2 ARG 27 11.825 9.141 5.013 227 H TYR 28 H TYR 28 7.183 1.298 5.165 228 HA TYR 28 HA TYR 28 6.840 -0.755 7.013 229 HB2 TYR 28 1HB TYR 28 5.057 0.847 6.413 230 HB3 TYR 28 2HB TYR 28 4.928 0.123 4.822 231 HD1 TYR 28 HD2 TYR 28 4.105 -0.230 8.358 232 HD2 TYR 28 HD1 TYR 28 3.723 -2.019 4.528 233 HE1 TYR 28 HE2 TYR 28 2.330 -1.690 9.231 234 HE2 TYR 28 HE1 TYR 28 1.931 -3.484 5.383 235 HH TYR 28 HH TYR 28 1.016 -4.324 7.364 236 H ALA 29 H ALA 29 6.587 -0.889 3.498 237 HA ALA 29 HA ALA 29 6.071 -3.624 3.223 238 HB1 ALA 29 3HB ALA 29 5.750 -2.001 1.415 239 HB2 ALA 29 1HB ALA 29 6.762 -3.350 0.897 240 HB3 ALA 29 2HB ALA 29 7.497 -1.795 1.291 241 H ALA 30 H ALA 30 9.152 -1.859 3.151 242 HA ALA 30 HA ALA 30 10.854 -4.024 2.701 243 HB1 ALA 30 3HB ALA 30 11.430 -1.500 4.250 244 HB2 ALA 30 1HB ALA 30 11.551 -1.680 2.501 245 HB3 ALA 30 2HB ALA 30 12.633 -2.590 3.556 246 H THR 31 H THR 31 9.588 -2.690 5.711 247 HA THR 31 HA THR 31 11.081 -4.349 7.399 248 HB THR 31 HB THR 31 8.387 -3.041 7.906 249 HG1 THR 31 HG1 THR 31 10.795 -2.025 7.467 250 HG21 THR 31 3HG2 THR 31 8.920 -4.781 9.583 251 HG22 THR 31 1HG2 THR 31 9.026 -3.167 10.289 252 HG23 THR 31 2HG2 THR 31 10.497 -4.040 9.850 253 H ILE 32 H ILE 32 7.884 -4.779 5.898 254 HA ILE 32 HA ILE 32 7.262 -7.267 7.098 255 HB ILE 32 HB ILE 32 6.432 -6.289 4.337 256 HG12 ILE 32 1HG1 ILE 32 5.761 -4.676 6.036 257 HG13 ILE 32 2HG1 ILE 32 4.347 -5.524 5.429 258 HG21 ILE 32 1HG2 ILE 32 4.512 -7.811 4.569 259 HG22 ILE 32 2HG2 ILE 32 5.178 -8.405 6.088 260 HG23 ILE 32 3HG2 ILE 32 6.051 -8.676 4.578 261 HD11 ILE 32 3HD1 ILE 32 4.359 -6.934 7.447 262 HD12 ILE 32 1HD1 ILE 32 4.201 -5.216 7.816 263 HD13 ILE 32 2HD1 ILE 32 5.748 -6.024 8.046 264 H GLN 33 H GLN 33 8.992 -6.444 4.141 265 HA GLN 33 HA GLN 33 9.544 -9.017 3.184 266 HB2 GLN 33 1HB GLN 33 11.170 -6.484 2.982 267 HB3 GLN 33 2HB GLN 33 11.532 -7.948 2.083 268 HG2 GLN 33 1HG GLN 33 8.939 -6.432 1.892 269 HG3 GLN 33 2HG GLN 33 10.305 -6.236 0.799 270 HE21 GLN 33 2HE2 GLN 33 7.752 -8.453 1.830 271 HE22 GLN 33 1HE2 GLN 33 7.890 -9.438 0.434 272 H SER 34 H SER 34 11.235 -7.008 5.506 273 HA SER 34 HA SER 34 13.429 -8.748 5.911 274 HB2 SER 34 1HB SER 34 12.339 -6.587 7.719 275 HB3 SER 34 2HB SER 34 13.960 -7.286 7.785 276 HG SER 34 HG SER 34 12.817 -5.639 5.779 277 H GLN 35 H GLN 35 10.228 -8.571 7.284 278 HA GLN 35 HA GLN 35 10.809 -10.199 9.554 279 HB2 GLN 35 1HB GLN 35 8.149 -9.492 8.314 280 HB3 GLN 35 2HB GLN 35 8.344 -10.365 9.823 281 HG2 GLN 35 1HG GLN 35 9.220 -7.542 9.263 282 HG3 GLN 35 2HG GLN 35 7.849 -8.038 10.247 283 HE21 GLN 35 2HE2 GLN 35 10.144 -6.439 10.955 284 HE22 GLN 35 1HE2 GLN 35 10.916 -7.241 12.273 285 H ARG 36 H ARG 36 9.471 -10.831 6.345 286 HA ARG 36 HA ARG 36 9.180 -13.618 7.081 287 HB2 ARG 36 1HB ARG 36 8.398 -12.170 4.557 288 HB3 ARG 36 2HB ARG 36 8.213 -13.902 4.779 289 HG2 ARG 36 1HG ARG 36 6.764 -13.445 6.751 290 HG3 ARG 36 2HG ARG 36 6.875 -11.726 6.385 291 HD2 ARG 36 1HD ARG 36 4.802 -12.693 5.504 292 HD3 ARG 36 2HD ARG 36 5.841 -12.116 4.199 293 HE ARG 36 HE ARG 36 6.512 -14.738 4.484 294 HH11 ARG 36 1HH1 ARG 36 3.384 -13.133 3.870 295 HH12 ARG 36 2HH1 ARG 36 2.768 -14.424 2.962 296 HH21 ARG 36 1HH2 ARG 36 5.659 -16.463 3.232 297 HH22 ARG 36 2HH2 ARG 36 4.102 -16.372 2.558 298 H GLY 37 H GLY 37 11.660 -11.789 5.899 299 HA2 GLY 37 1HA GLY 37 13.820 -12.627 5.526 300 HA3 GLY 37 2HA GLY 37 13.129 -14.224 5.264 301 H ASP 38 H ASP 38 11.497 -14.101 3.293 302 HA ASP 38 HA ASP 38 12.460 -12.446 1.173 303 HB2 ASP 38 1HB ASP 38 12.575 -14.310 -0.365 304 HB3 ASP 38 2HB ASP 38 13.814 -14.487 0.872 305 H TYR 39 H TYR 39 10.946 -12.604 -0.645 306 HA TYR 39 HA TYR 39 8.365 -13.723 -0.073 307 HB2 TYR 39 1HB TYR 39 8.670 -11.328 0.929 308 HB3 TYR 39 2HB TYR 39 8.582 -10.808 -0.749 309 HD1 TYR 39 HD2 TYR 39 6.767 -12.463 1.956 310 HD2 TYR 39 HD1 TYR 39 6.471 -10.732 -1.892 311 HE1 TYR 39 HE2 TYR 39 4.311 -12.524 2.120 312 HE2 TYR 39 HE1 TYR 39 4.029 -10.804 -1.755 313 HH TYR 39 HH TYR 39 2.409 -11.454 1.184 314 H ASN 40 H ASN 40 7.061 -12.722 -2.174 315 HA ASN 40 HA ASN 40 8.201 -13.529 -4.572 316 HB2 ASN 40 1HB ASN 40 5.805 -13.232 -4.347 317 HB3 ASN 40 2HB ASN 40 6.007 -11.516 -4.021 318 HD21 ASN 40 2HD2 ASN 40 5.981 -13.983 -6.451 319 HD22 ASN 40 1HD2 ASN 40 5.967 -12.900 -7.799 320 H GLY 41 H GLY 41 7.947 -10.243 -3.207 321 HA2 GLY 41 1HA GLY 41 9.766 -8.725 -3.221 322 HA3 GLY 41 2HA GLY 41 10.409 -9.555 -4.630 323 H LYS 42 H LYS 42 8.065 -9.598 -6.149 324 HA LYS 42 HA LYS 42 8.191 -6.911 -7.180 325 HB2 LYS 42 1HB LYS 42 8.305 -8.853 -8.662 326 HB3 LYS 42 2HB LYS 42 6.712 -9.367 -8.148 327 HG2 LYS 42 1HG LYS 42 5.716 -7.403 -9.184 328 HG3 LYS 42 2HG LYS 42 7.317 -6.818 -9.633 329 HD2 LYS 42 1HD LYS 42 6.103 -9.418 -10.582 330 HD3 LYS 42 2HD LYS 42 6.130 -7.919 -11.508 331 HE2 LYS 42 1HE LYS 42 8.588 -7.944 -11.488 332 HE3 LYS 42 2HE LYS 42 8.567 -9.428 -10.542 333 HZ1 LYS 42 3HZ LYS 42 8.955 -9.836 -12.889 334 HZ2 LYS 42 1HZ LYS 42 7.484 -9.132 -13.289 335 HZ3 LYS 42 2HZ LYS 42 7.514 -10.561 -12.401 336 H VAL 43 H VAL 43 5.806 -9.051 -5.742 337 HA VAL 43 HA VAL 43 4.167 -6.703 -5.164 338 HB VAL 43 HB VAL 43 2.118 -8.077 -5.377 339 HG11 VAL 43 1HG1 VAL 43 3.774 -8.018 -7.894 340 HG12 VAL 43 2HG1 VAL 43 2.779 -6.704 -7.271 341 HG13 VAL 43 3HG1 VAL 43 2.022 -8.197 -7.827 342 HG21 VAL 43 3HG2 VAL 43 3.953 -10.190 -6.513 343 HG22 VAL 43 1HG2 VAL 43 2.189 -10.255 -6.523 344 HG23 VAL 43 2HG2 VAL 43 3.069 -10.290 -4.991 345 H LEU 44 H LEU 44 2.795 -6.981 -3.277 346 HA LEU 44 HA LEU 44 3.726 -8.976 -1.328 347 HB2 LEU 44 1HB LEU 44 4.887 -6.861 -0.931 348 HB3 LEU 44 2HB LEU 44 3.365 -6.003 -0.923 349 HG LEU 44 HG LEU 44 2.736 -7.258 1.147 350 HD11 LEU 44 1HD1 LEU 44 4.483 -8.388 2.404 351 HD12 LEU 44 2HD1 LEU 44 5.596 -8.188 1.054 352 HD13 LEU 44 3HD1 LEU 44 4.163 -9.200 0.874 353 HD21 LEU 44 3HD2 LEU 44 5.280 -5.643 1.278 354 HD22 LEU 44 1HD2 LEU 44 4.202 -5.976 2.634 355 HD23 LEU 44 2HD2 LEU 44 3.635 -5.005 1.278 356 H SER 45 H SER 45 1.890 -10.119 -0.709 357 HA SER 45 HA SER 45 -0.686 -8.897 -1.049 358 HB2 SER 45 1HB SER 45 -0.339 -11.348 -1.476 359 HB3 SER 45 2HB SER 45 0.045 -11.565 0.226 360 HG SER 45 HG SER 45 -2.168 -12.024 -0.511 361 H ILE 46 H ILE 46 -1.678 -7.740 0.433 362 HA ILE 46 HA ILE 46 -0.697 -7.852 3.194 363 HB ILE 46 HB ILE 46 -1.249 -5.466 3.422 364 HG12 ILE 46 1HG1 ILE 46 -1.781 -5.490 0.433 365 HG13 ILE 46 2HG1 ILE 46 -3.020 -5.370 1.674 366 HG21 ILE 46 1HG2 ILE 46 0.569 -4.519 2.078 367 HG22 ILE 46 2HG2 ILE 46 0.633 -6.009 1.136 368 HG23 ILE 46 3HG2 ILE 46 1.033 -6.034 2.854 369 HD11 ILE 46 3HD1 ILE 46 -2.535 -3.200 0.694 370 HD12 ILE 46 1HD1 ILE 46 -0.838 -3.359 1.152 371 HD13 ILE 46 2HD1 ILE 46 -2.080 -3.231 2.397 372 H ARG 47 H ARG 47 -2.464 -6.945 4.727 373 HA ARG 47 HA ARG 47 -5.044 -8.045 3.849 374 HB2 ARG 47 1HB ARG 47 -4.085 -7.422 6.645 375 HB3 ARG 47 2HB ARG 47 -5.554 -8.265 6.183 376 HG2 ARG 47 1HG ARG 47 -2.746 -9.252 5.791 377 HG3 ARG 47 2HG ARG 47 -3.880 -9.799 7.024 378 HD2 ARG 47 1HD ARG 47 -5.370 -10.623 5.236 379 HD3 ARG 47 2HD ARG 47 -4.184 -10.102 4.034 380 HE ARG 47 HE ARG 47 -3.467 -11.982 6.142 381 HH11 ARG 47 1HH1 ARG 47 -3.882 -11.401 2.634 382 HH12 ARG 47 2HH1 ARG 47 -2.940 -12.750 2.193 383 HH21 ARG 47 1HH2 ARG 47 -2.154 -13.779 5.477 384 HH22 ARG 47 2HH2 ARG 47 -1.934 -14.101 3.815 385 H GLN 48 H GLN 48 -6.869 -6.863 5.124 386 HA GLN 48 HA GLN 48 -6.886 -4.234 4.089 387 HB2 GLN 48 1HB GLN 48 -9.123 -4.017 5.171 388 HB3 GLN 48 2HB GLN 48 -8.961 -5.430 4.143 389 HG2 GLN 48 1HG GLN 48 -8.549 -6.777 6.207 390 HG3 GLN 48 2HG GLN 48 -8.931 -5.337 7.144 391 HE21 GLN 48 2HE2 GLN 48 -10.169 -7.780 5.048 392 HE22 GLN 48 1HE2 GLN 48 -11.847 -7.505 5.365 393 H ASP 49 H ASP 49 -6.096 -5.482 7.209 394 HA ASP 49 HA ASP 49 -6.195 -2.916 8.453 395 HB2 ASP 49 1HB ASP 49 -4.961 -5.496 9.396 396 HB3 ASP 49 2HB ASP 49 -4.892 -4.004 10.327 397 H ASP 50 H ASP 50 -3.748 -4.721 6.768 398 HA ASP 50 HA ASP 50 -1.481 -3.164 7.458 399 HB2 ASP 50 1HB ASP 50 -2.189 -4.552 4.878 400 HB3 ASP 50 2HB ASP 50 -0.633 -3.774 5.130 401 H LEU 51 H LEU 51 -3.836 -2.913 4.935 402 HA LEU 51 HA LEU 51 -3.039 -0.645 3.569 403 HB2 LEU 51 1HB LEU 51 -4.749 -2.228 2.854 404 HB3 LEU 51 2HB LEU 51 -5.783 -1.726 4.167 405 HG LEU 51 HG LEU 51 -6.019 0.490 3.113 406 HD11 LEU 51 1HD1 LEU 51 -4.429 -0.763 0.876 407 HD12 LEU 51 2HD1 LEU 51 -3.890 0.554 1.916 408 HD13 LEU 51 3HD1 LEU 51 -5.249 0.794 0.814 409 HD21 LEU 51 3HD2 LEU 51 -6.656 -1.830 1.306 410 HD22 LEU 51 1HD2 LEU 51 -7.441 -0.255 1.305 411 HD23 LEU 51 2HD2 LEU 51 -7.615 -1.325 2.698 412 H ARG 52 H ARG 52 -5.226 -0.953 6.328 413 HA ARG 52 HA ARG 52 -5.789 1.790 6.684 414 HB2 ARG 52 1HB ARG 52 -5.826 -0.456 8.697 415 HB3 ARG 52 2HB ARG 52 -6.515 1.139 8.963 416 HG2 ARG 52 1HG ARG 52 -8.129 0.795 7.235 417 HG3 ARG 52 2HG ARG 52 -7.366 -0.723 6.768 418 HD2 ARG 52 1HD ARG 52 -7.914 -1.655 8.974 419 HD3 ARG 52 2HD ARG 52 -8.718 -0.141 9.400 420 HE ARG 52 HE ARG 52 -10.135 -0.596 7.396 421 HH11 ARG 52 1HH1 ARG 52 -8.782 -3.280 9.372 422 HH12 ARG 52 2HH1 ARG 52 -9.953 -4.367 8.873 423 HH21 ARG 52 1HH2 ARG 52 -11.742 -2.162 6.753 424 HH22 ARG 52 2HH2 ARG 52 -11.633 -3.758 7.325 425 H THR 53 H THR 53 -3.283 -0.276 8.000 426 HA THR 53 HA THR 53 -2.240 1.489 9.920 427 HB THR 53 HB THR 53 -0.672 -0.608 8.372 428 HG1 THR 53 HG1 THR 53 -2.534 -1.517 9.310 429 HG21 THR 53 3HG2 THR 53 -0.289 0.550 11.147 430 HG22 THR 53 1HG2 THR 53 0.724 0.889 9.746 431 HG23 THR 53 2HG2 THR 53 0.685 -0.735 10.436 432 H LEU 54 H LEU 54 -1.593 1.142 6.487 433 HA LEU 54 HA LEU 54 0.623 2.868 6.291 434 HB2 LEU 54 1HB LEU 54 -1.505 2.230 4.254 435 HB3 LEU 54 2HB LEU 54 0.026 3.007 3.898 436 HG LEU 54 HG LEU 54 -0.267 0.211 4.992 437 HD11 LEU 54 1HD1 LEU 54 0.384 1.156 2.200 438 HD12 LEU 54 2HD1 LEU 54 -1.109 0.365 2.707 439 HD13 LEU 54 3HD1 LEU 54 0.416 -0.517 2.759 440 HD21 LEU 54 3HD2 LEU 54 1.816 1.207 5.665 441 HD22 LEU 54 1HD2 LEU 54 2.144 1.747 4.019 442 HD23 LEU 54 2HD2 LEU 54 2.112 0.029 4.392 443 H ALA 55 H ALA 55 -2.810 3.457 6.306 444 HA ALA 55 HA ALA 55 -2.655 6.219 5.620 445 HB1 ALA 55 3HB ALA 55 -4.993 6.309 6.338 446 HB2 ALA 55 1HB ALA 55 -4.837 4.704 7.050 447 HB3 ALA 55 2HB ALA 55 -4.708 4.904 5.308 448 H VAL 56 H VAL 56 -2.497 4.364 8.549 449 HA VAL 56 HA VAL 56 -2.910 6.493 10.379 450 HB VAL 56 HB VAL 56 -1.463 3.855 10.859 451 HG11 VAL 56 1HG1 VAL 56 -0.985 5.528 12.587 452 HG12 VAL 56 2HG1 VAL 56 -1.968 4.207 13.220 453 HG13 VAL 56 3HG1 VAL 56 -2.715 5.756 12.842 454 HG21 VAL 56 3HG2 VAL 56 -3.588 3.066 11.790 455 HG22 VAL 56 1HG2 VAL 56 -3.747 3.492 10.085 456 HG23 VAL 56 2HG2 VAL 56 -4.349 4.589 11.329 457 H ILE 57 H ILE 57 -0.120 5.150 8.758 458 HA ILE 57 HA ILE 57 1.998 6.321 10.145 459 HB ILE 57 HB ILE 57 1.918 6.067 7.102 460 HG12 ILE 57 1HG1 ILE 57 2.684 3.983 9.175 461 HG13 ILE 57 2HG1 ILE 57 1.283 3.969 8.096 462 HG21 ILE 57 1HG2 ILE 57 4.219 6.045 9.060 463 HG22 ILE 57 2HG2 ILE 57 3.797 7.364 7.970 464 HG23 ILE 57 3HG2 ILE 57 4.348 5.821 7.315 465 HD11 ILE 57 3HD1 ILE 57 3.053 2.464 7.320 466 HD12 ILE 57 1HD1 ILE 57 4.159 3.834 7.212 467 HD13 ILE 57 2HD1 ILE 57 2.742 3.767 6.169 468 H TYR 58 H TYR 58 0.023 7.592 7.541 469 HA TYR 58 HA TYR 58 1.478 10.129 7.584 470 HB2 TYR 58 1HB TYR 58 -0.791 9.318 5.777 471 HB3 TYR 58 2HB TYR 58 0.311 10.666 5.549 472 HD1 TYR 58 HD2 TYR 58 2.846 8.952 6.340 473 HD2 TYR 58 HD1 TYR 58 -0.382 8.359 3.638 474 HE1 TYR 58 HE2 TYR 58 4.255 7.454 4.937 475 HE2 TYR 58 HE1 TYR 58 1.049 6.903 2.277 476 HH TYR 58 HH TYR 58 3.463 6.683 1.867 477 H ASP 59 H ASP 59 -1.034 8.798 9.140 478 HA ASP 59 HA ASP 59 -2.818 9.445 10.307 479 HB2 ASP 59 1HB ASP 59 -1.153 11.000 11.373 480 HB3 ASP 59 2HB ASP 59 -1.628 12.241 10.218 481 H GLN 60 H GLN 60 -3.584 8.922 8.081 482 HA GLN 60 HA GLN 60 -5.445 11.024 7.286 483 HB2 GLN 60 1HB GLN 60 -3.881 9.239 5.405 484 HB3 GLN 60 2HB GLN 60 -5.272 10.188 4.918 485 HG2 GLN 60 1HG GLN 60 -4.042 12.237 5.580 486 HG3 GLN 60 2HG GLN 60 -2.636 11.229 5.929 487 HE21 GLN 60 2HE2 GLN 60 -1.504 10.315 4.208 488 HE22 GLN 60 1HE2 GLN 60 -1.749 10.842 2.579 489 H SER 61 H SER 61 -7.186 9.994 5.894 490 HA SER 61 HA SER 61 -8.356 7.918 7.443 491 HB2 SER 61 1HB SER 61 -9.726 9.749 6.578 492 HB3 SER 61 2HB SER 61 -9.273 9.335 4.928 493 HG SER 61 HG SER 61 -11.271 8.394 6.385 494 HA PRO 62 HA PRO 62 -6.884 4.453 5.032 495 HB2 PRO 62 1HB PRO 62 -9.126 2.837 5.410 496 HB3 PRO 62 2HB PRO 62 -7.750 2.933 6.517 497 HG2 PRO 62 1HG PRO 62 -10.408 4.285 6.656 498 HG3 PRO 62 2HG PRO 62 -9.429 3.596 7.964 499 HD2 PRO 62 1HD PRO 62 -9.551 6.235 7.541 500 HD3 PRO 62 2HD PRO 62 -8.041 5.453 8.065 501 H SER 63 H SER 63 -10.054 5.860 4.672 502 HA SER 63 HA SER 63 -10.974 4.727 2.325 503 HB2 SER 63 1HB SER 63 -11.338 7.603 3.167 504 HB3 SER 63 2HB SER 63 -12.454 6.596 2.244 505 HG SER 63 HG SER 63 -12.231 6.877 4.897 506 H VAL 64 H VAL 64 -9.084 7.743 2.771 507 HA VAL 64 HA VAL 64 -8.911 8.167 -0.039 508 HB VAL 64 HB VAL 64 -7.503 10.105 0.421 509 HG11 VAL 64 1HG1 VAL 64 -9.891 10.362 0.582 510 HG12 VAL 64 2HG1 VAL 64 -9.076 11.399 1.755 511 HG13 VAL 64 3HG1 VAL 64 -9.847 9.905 2.287 512 HG21 VAL 64 3HG2 VAL 64 -7.584 9.248 3.321 513 HG22 VAL 64 1HG2 VAL 64 -6.929 10.770 2.722 514 HG23 VAL 64 2HG2 VAL 64 -6.160 9.247 2.282 515 H LEU 65 H LEU 65 -6.896 6.673 2.320 516 HA LEU 65 HA LEU 65 -4.494 6.663 0.839 517 HB2 LEU 65 1HB LEU 65 -4.816 6.248 3.326 518 HB3 LEU 65 2HB LEU 65 -5.417 4.667 2.919 519 HG LEU 65 HG LEU 65 -3.090 4.697 3.788 520 HD11 LEU 65 1HD1 LEU 65 -2.091 3.209 2.155 521 HD12 LEU 65 2HD1 LEU 65 -3.339 3.659 0.992 522 HD13 LEU 65 3HD1 LEU 65 -3.781 2.817 2.479 523 HD21 LEU 65 3HD2 LEU 65 -1.263 5.464 2.368 524 HD22 LEU 65 1HD2 LEU 65 -2.332 6.788 2.825 525 HD23 LEU 65 2HD2 LEU 65 -2.423 6.098 1.203 526 H THR 66 H THR 66 -7.182 4.390 1.114 527 HA THR 66 HA THR 66 -6.127 2.334 -0.469 528 HB THR 66 HB THR 66 -9.032 3.041 -0.002 529 HG1 THR 66 HG1 THR 66 -8.058 2.773 1.969 530 HG21 THR 66 3HG2 THR 66 -9.388 0.602 -0.324 531 HG22 THR 66 1HG2 THR 66 -7.691 0.435 -0.760 532 HG23 THR 66 2HG2 THR 66 -8.774 1.386 -1.778 533 H GLU 67 H GLU 67 -8.376 4.987 -1.332 534 HA GLU 67 HA GLU 67 -8.675 4.163 -4.010 535 HB2 GLU 67 1HB GLU 67 -9.656 6.404 -4.419 536 HB3 GLU 67 2HB GLU 67 -10.353 5.580 -3.037 537 HG2 GLU 67 1HG GLU 67 -9.069 6.919 -1.530 538 HG3 GLU 67 2HG GLU 67 -8.244 7.717 -2.868 539 H GLN 68 H GLN 68 -6.308 6.256 -2.470 540 HA GLN 68 HA GLN 68 -5.240 7.221 -4.870 541 HB2 GLN 68 1HB GLN 68 -4.204 7.028 -2.085 542 HB3 GLN 68 2HB GLN 68 -3.139 7.531 -3.389 543 HG2 GLN 68 1HG GLN 68 -5.700 8.870 -2.516 544 HG3 GLN 68 2HG GLN 68 -4.060 9.471 -2.265 545 HE21 GLN 68 2HE2 GLN 68 -6.655 9.090 -4.548 546 HE22 GLN 68 1HE2 GLN 68 -5.967 10.034 -5.797 547 H LEU 69 H LEU 69 -4.303 4.481 -2.825 548 HA LEU 69 HA LEU 69 -2.110 3.658 -4.359 549 HB2 LEU 69 1HB LEU 69 -3.992 1.887 -2.811 550 HB3 LEU 69 2HB LEU 69 -2.409 1.440 -3.413 551 HG LEU 69 HG LEU 69 -2.975 3.466 -1.257 552 HD11 LEU 69 1HD1 LEU 69 -1.681 0.770 -1.218 553 HD12 LEU 69 2HD1 LEU 69 -3.287 1.168 -0.565 554 HD13 LEU 69 3HD1 LEU 69 -1.824 1.887 0.140 555 HD21 LEU 69 3HD2 LEU 69 -1.042 4.097 -2.580 556 HD22 LEU 69 1HD2 LEU 69 -0.371 2.479 -2.376 557 HD23 LEU 69 2HD2 LEU 69 -0.581 3.538 -0.977 558 H ILE 70 H ILE 70 -5.516 2.867 -4.704 559 HA ILE 70 HA ILE 70 -5.209 1.013 -6.808 560 HB ILE 70 HB ILE 70 -7.593 2.778 -6.138 561 HG12 ILE 70 1HG1 ILE 70 -7.039 -0.120 -5.483 562 HG13 ILE 70 2HG1 ILE 70 -6.878 1.219 -4.351 563 HG21 ILE 70 1HG2 ILE 70 -7.474 0.337 -7.916 564 HG22 ILE 70 2HG2 ILE 70 -7.717 1.998 -8.459 565 HG23 ILE 70 3HG2 ILE 70 -8.936 1.212 -7.457 566 HD11 ILE 70 3HD1 ILE 70 -8.954 -0.008 -4.022 567 HD12 ILE 70 1HD1 ILE 70 -9.420 0.334 -5.688 568 HD13 ILE 70 2HD1 ILE 70 -9.269 1.654 -4.522 569 H SER 71 H SER 71 -5.712 4.524 -6.799 570 HA SER 71 HA SER 71 -5.884 4.827 -9.590 571 HB2 SER 71 1HB SER 71 -5.053 6.828 -7.486 572 HB3 SER 71 2HB SER 71 -5.537 7.213 -9.143 573 HG SER 71 HG SER 71 -7.064 6.635 -6.961 574 H TRP 72 H TRP 72 -3.121 4.730 -7.405 575 HA TRP 72 HA TRP 72 -1.239 5.648 -9.390 576 HB2 TRP 72 1HB TRP 72 -0.655 4.026 -6.917 577 HB3 TRP 72 2HB TRP 72 0.501 4.951 -7.855 578 HD1 TRP 72 HD1 TRP 72 -1.856 7.534 -7.715 579 HE1 TRP 72 HE1 TRP 72 -1.744 8.924 -5.535 580 HE3 TRP 72 HE3 TRP 72 0.809 4.289 -4.853 581 HZ2 TRP 72 HZ2 TRP 72 -0.608 8.636 -2.906 582 HZ3 TRP 72 HZ3 TRP 72 1.405 4.918 -2.552 583 HH2 TRP 72 HH2 TRP 72 0.722 7.027 -1.608 584 H GLY 73 H GLY 73 -2.812 2.723 -8.739 585 HA2 GLY 73 1HA GLY 73 -2.755 0.733 -9.967 586 HA3 GLY 73 2HA GLY 73 -1.305 1.310 -10.784 587 H VAL 74 H VAL 74 -1.447 1.515 -7.387 588 HA VAL 74 HA VAL 74 0.713 -0.429 -7.191 589 HB VAL 74 HB VAL 74 -0.257 1.625 -5.172 590 HG11 VAL 74 1HG1 VAL 74 2.156 -0.185 -5.048 591 HG12 VAL 74 2HG1 VAL 74 0.695 -0.351 -4.074 592 HG13 VAL 74 3HG1 VAL 74 1.727 1.069 -3.878 593 HG21 VAL 74 3HG2 VAL 74 1.874 2.733 -5.657 594 HG22 VAL 74 1HG2 VAL 74 0.857 2.609 -7.097 595 HG23 VAL 74 2HG2 VAL 74 2.217 1.510 -6.873 596 H LEU 75 H LEU 75 -2.491 0.208 -5.881 597 HA LEU 75 HA LEU 75 -2.340 -2.345 -4.467 598 HB2 LEU 75 1HB LEU 75 -3.296 -0.390 -3.268 599 HB3 LEU 75 2HB LEU 75 -4.549 -0.269 -4.486 600 HG LEU 75 HG LEU 75 -5.374 -2.515 -3.776 601 HD11 LEU 75 1HD1 LEU 75 -3.345 -2.188 -1.570 602 HD12 LEU 75 2HD1 LEU 75 -3.325 -3.416 -2.837 603 HD13 LEU 75 3HD1 LEU 75 -4.610 -3.415 -1.628 604 HD21 LEU 75 3HD2 LEU 75 -6.408 -0.485 -2.912 605 HD22 LEU 75 1HD2 LEU 75 -5.215 -0.415 -1.616 606 HD23 LEU 75 2HD2 LEU 75 -6.373 -1.740 -1.675 607 H ASP 76 H ASP 76 -3.572 -4.047 -5.066 608 HA ASP 76 HA ASP 76 -4.169 -4.428 -7.742 609 HB2 ASP 76 1HB ASP 76 -3.907 -6.273 -6.087 610 HB3 ASP 76 2HB ASP 76 -5.521 -5.900 -5.476 611 H ALA 77 H ALA 77 -5.879 -4.225 -8.990 612 HA ALA 77 HA ALA 77 -7.704 -2.212 -8.476 613 HB1 ALA 77 3HB ALA 77 -8.718 -2.824 -10.560 614 HB2 ALA 77 1HB ALA 77 -7.866 -4.370 -10.547 615 HB3 ALA 77 2HB ALA 77 -6.959 -2.858 -10.680 616 H ASP 78 H ASP 78 -8.044 -5.703 -7.944 617 HA ASP 78 HA ASP 78 -10.920 -5.455 -7.793 618 HB2 ASP 78 1HB ASP 78 -9.818 -7.515 -8.696 619 HB3 ASP 78 2HB ASP 78 -9.237 -7.856 -7.069 620 H ALA 79 H ALA 79 -8.321 -5.117 -5.727 621 HA ALA 79 HA ALA 79 -9.193 -6.015 -3.265 622 HB1 ALA 79 3HB ALA 79 -7.589 -4.498 -2.269 623 HB2 ALA 79 1HB ALA 79 -7.481 -3.600 -3.779 624 HB3 ALA 79 2HB ALA 79 -6.914 -5.267 -3.708 625 H ARG 80 H ARG 80 -10.327 -3.193 -4.962 626 HA ARG 80 HA ARG 80 -11.221 -1.731 -2.707 627 HB2 ARG 80 1HB ARG 80 -12.431 -0.278 -4.114 628 HB3 ARG 80 2HB ARG 80 -11.121 -0.840 -5.126 629 HG2 ARG 80 1HG ARG 80 -13.930 -1.941 -5.224 630 HG3 ARG 80 2HG ARG 80 -13.327 -0.659 -6.264 631 HD2 ARG 80 1HD ARG 80 -11.695 -2.182 -7.208 632 HD3 ARG 80 2HD ARG 80 -12.231 -3.455 -6.111 633 HE ARG 80 HE ARG 80 -14.469 -2.613 -7.462 634 HH11 ARG 80 1HH1 ARG 80 -11.372 -3.894 -8.531 635 HH12 ARG 80 2HH1 ARG 80 -12.056 -4.859 -9.776 636 HH21 ARG 80 1HH2 ARG 80 -15.370 -3.852 -9.187 637 HH22 ARG 80 2HH2 ARG 80 -14.370 -4.831 -10.153 638 H ARG 81 H ARG 81 -12.464 -4.541 -4.168 639 HA ARG 81 HA ARG 81 -15.168 -4.364 -3.292 640 HB2 ARG 81 1HB ARG 81 -13.480 -6.737 -4.106 641 HB3 ARG 81 2HB ARG 81 -15.212 -6.799 -3.821 642 HG2 ARG 81 1HG ARG 81 -13.981 -4.990 -5.885 643 HG3 ARG 81 2HG ARG 81 -14.412 -6.658 -6.240 644 HD2 ARG 81 1HD ARG 81 -16.343 -4.572 -5.207 645 HD3 ARG 81 2HD ARG 81 -16.144 -4.993 -6.909 646 HE ARG 81 HE ARG 81 -16.712 -7.207 -5.160 647 HH11 ARG 81 1HH1 ARG 81 -18.190 -4.742 -7.262 648 HH12 ARG 81 2HH1 ARG 81 -19.605 -5.636 -7.556 649 HH21 ARG 81 1HH2 ARG 81 -18.704 -8.406 -5.516 650 HH22 ARG 81 2HH2 ARG 81 -19.904 -7.747 -6.510 651 H ALA 82 H ALA 82 -12.242 -4.962 -1.649 652 HA ALA 82 HA ALA 82 -13.446 -6.582 0.433 653 HB1 ALA 82 3HB ALA 82 -11.096 -6.957 -0.235 654 HB2 ALA 82 1HB ALA 82 -11.243 -6.540 1.475 655 HB3 ALA 82 2HB ALA 82 -10.704 -5.330 0.312 656 H VAL 83 H VAL 83 -12.672 -3.238 -0.160 657 HA VAL 83 HA VAL 83 -13.216 -2.607 2.633 658 HB VAL 83 HB VAL 83 -12.387 -0.340 2.183 659 HG11 VAL 83 1HG1 VAL 83 -10.811 -2.012 2.927 660 HG12 VAL 83 2HG1 VAL 83 -10.028 -0.920 1.784 661 HG13 VAL 83 3HG1 VAL 83 -10.535 -2.527 1.265 662 HG21 VAL 83 3HG2 VAL 83 -13.049 -0.158 -0.178 663 HG22 VAL 83 1HG2 VAL 83 -11.817 -1.339 -0.613 664 HG23 VAL 83 2HG2 VAL 83 -11.350 0.238 0.042 665 H ALA 84 H ALA 84 -14.617 -2.359 -0.474 666 HA ALA 84 HA ALA 84 -16.914 -0.971 0.678 667 HB1 ALA 84 3HB ALA 84 -15.776 -0.689 -2.114 668 HB2 ALA 84 1HB ALA 84 -15.723 0.538 -0.848 669 HB3 ALA 84 2HB ALA 84 -17.271 0.057 -1.544 670 H SER 85 H SER 85 -18.614 -1.373 -1.483 671 HA SER 85 HA SER 85 -20.135 -2.781 -2.211 672 HB2 SER 85 1HB SER 85 -19.408 -4.799 -3.484 673 HB3 SER 85 2HB SER 85 -18.471 -3.367 -3.890 674 HG SER 85 HG SER 85 -17.160 -4.463 -1.962 675 H HIS 86 H HIS 86 -20.879 -5.263 -2.175 676 HA HIS 86 HA HIS 86 -21.860 -6.893 -1.026 677 HB2 HIS 86 1HB HIS 86 -19.671 -7.534 -0.020 678 HB3 HIS 86 2HB HIS 86 -19.891 -6.318 1.233 679 HD1 HIS 86 HD1 HIS 86 -21.298 -7.020 3.294 680 HD2 HIS 86 HD2 HIS 86 -21.395 -9.798 0.199 681 HE1 HIS 86 HE1 HIS 86 -22.451 -9.057 4.217 682 H ASP 87 H ASP 87 -23.715 -6.942 0.008 683 HA ASP 87 HA ASP 87 -25.574 -6.248 1.030 684 HB2 ASP 87 1HB ASP 87 -24.419 -5.636 3.099 685 HB3 ASP 87 2HB ASP 87 -23.827 -4.153 2.375 686 H GLU 88 H GLU 88 -27.152 -5.367 0.076 687 HA GLU 88 HA GLU 88 -28.400 -4.221 -1.374 688 HB2 GLU 88 1HB GLU 88 -26.221 -2.114 -1.458 689 HB3 GLU 88 2HB GLU 88 -27.859 -1.922 -2.062 690 HG2 GLU 88 1HG GLU 88 -28.714 -2.059 0.215 691 HG3 GLU 88 2HG GLU 88 -27.076 -2.303 0.818 692 H LEU 89 H LEU 89 -28.332 -5.660 -3.004 693 HA LEU 89 HA LEU 89 -26.278 -5.205 -5.032 694 HB2 LEU 89 1HB LEU 89 -25.786 -7.269 -3.733 695 HB3 LEU 89 2HB LEU 89 -27.367 -7.889 -4.153 696 HG LEU 89 HG LEU 89 -26.694 -7.918 -6.540 697 HD11 LEU 89 1HD1 LEU 89 -25.018 -6.168 -6.504 698 HD12 LEU 89 2HD1 LEU 89 -24.330 -7.673 -7.114 699 HD13 LEU 89 3HD1 LEU 89 -23.987 -7.152 -5.464 700 HD21 LEU 89 3HD2 LEU 89 -24.860 -9.432 -4.682 701 HD22 LEU 89 1HD2 LEU 89 -25.186 -9.837 -6.365 702 HD23 LEU 89 2HD2 LEU 89 -26.479 -9.931 -5.171 Start of MODEL 9 1 H1 MET 1 1H MET 1 -14.771 -17.531 -1.056 2 H2 MET 1 2H MET 1 -15.700 -16.980 0.232 3 H3 MET 1 3H MET 1 -15.955 -18.538 -0.380 4 HA MET 1 HA MET 1 -14.703 -18.555 1.696 5 HB2 MET 1 1HB MET 1 -14.231 -20.135 -0.344 6 HB3 MET 1 2HB MET 1 -12.788 -19.161 -0.565 7 HG2 MET 1 1HG MET 1 -12.251 -21.169 0.646 8 HG3 MET 1 2HG MET 1 -12.062 -19.768 1.703 9 HE1 MET 1 3HE MET 1 -13.375 -22.731 4.045 10 HE2 MET 1 1HE MET 1 -12.054 -21.596 3.780 11 HE3 MET 1 2HE MET 1 -12.341 -22.894 2.625 12 H GLU 2 H GLU 2 -12.624 -17.883 2.738 13 HA GLU 2 HA GLU 2 -11.312 -16.264 3.483 14 HB2 GLU 2 1HB GLU 2 -10.805 -15.908 0.534 15 HB3 GLU 2 2HB GLU 2 -9.968 -14.942 1.743 16 HG2 GLU 2 1HG GLU 2 -9.930 -17.947 1.633 17 HG3 GLU 2 2HG GLU 2 -8.678 -16.897 0.962 18 HA PRO 3 HA PRO 3 -14.620 -13.107 3.317 19 HB2 PRO 3 1HB PRO 3 -13.874 -12.970 6.186 20 HB3 PRO 3 2HB PRO 3 -15.468 -13.057 5.440 21 HG2 PRO 3 1HG PRO 3 -14.410 -15.192 6.649 22 HG3 PRO 3 2HG PRO 3 -15.386 -15.349 5.176 23 HD2 PRO 3 1HD PRO 3 -12.411 -15.483 5.500 24 HD3 PRO 3 2HD PRO 3 -13.476 -16.438 4.452 25 HA PRO 4 HA PRO 4 -11.526 -9.794 4.918 26 HB2 PRO 4 1HB PRO 4 -8.941 -11.133 5.263 27 HB3 PRO 4 2HB PRO 4 -9.782 -10.050 6.379 28 HG2 PRO 4 1HG PRO 4 -9.531 -12.663 6.900 29 HG3 PRO 4 2HG PRO 4 -11.012 -11.777 7.313 30 HD2 PRO 4 1HD PRO 4 -10.471 -13.522 4.937 31 HD3 PRO 4 2HD PRO 4 -11.878 -13.509 6.026 32 HA PRO 5 HA PRO 5 -10.234 -9.583 0.599 33 HB2 PRO 5 1HB PRO 5 -9.416 -6.864 1.496 34 HB3 PRO 5 2HB PRO 5 -10.390 -7.341 0.101 35 HG2 PRO 5 1HG PRO 5 -11.562 -6.303 2.233 36 HG3 PRO 5 2HG PRO 5 -12.306 -7.677 1.391 37 HD2 PRO 5 1HD PRO 5 -10.753 -7.629 3.950 38 HD3 PRO 5 2HD PRO 5 -12.218 -8.545 3.517 39 H LYS 6 H LYS 6 -8.438 -10.497 0.001 40 HA LYS 6 HA LYS 6 -5.914 -10.215 1.422 41 HB2 LYS 6 1HB LYS 6 -6.602 -11.838 -1.045 42 HB3 LYS 6 2HB LYS 6 -5.227 -12.082 0.023 43 HG2 LYS 6 1HG LYS 6 -8.093 -12.388 0.917 44 HG3 LYS 6 2HG LYS 6 -7.137 -13.730 0.311 45 HD2 LYS 6 1HD LYS 6 -6.233 -12.034 2.632 46 HD3 LYS 6 2HD LYS 6 -7.294 -13.424 2.845 47 HE2 LYS 6 1HE LYS 6 -4.574 -13.515 1.530 48 HE3 LYS 6 2HE LYS 6 -4.894 -13.966 3.201 49 HZ1 LYS 6 3HZ LYS 6 -4.888 -15.948 1.844 50 HZ2 LYS 6 1HZ LYS 6 -6.031 -15.303 0.791 51 HZ3 LYS 6 2HZ LYS 6 -6.446 -15.666 2.369 52 H LEU 7 H LEU 7 -4.348 -8.757 0.687 53 HA LEU 7 HA LEU 7 -4.973 -7.509 -1.888 54 HB2 LEU 7 1HB LEU 7 -3.847 -6.189 0.565 55 HB3 LEU 7 2HB LEU 7 -4.237 -5.406 -0.952 56 HG LEU 7 HG LEU 7 -6.213 -6.661 0.951 57 HD11 LEU 7 1HD1 LEU 7 -6.952 -4.385 1.345 58 HD12 LEU 7 2HD1 LEU 7 -5.676 -3.782 0.291 59 HD13 LEU 7 3HD1 LEU 7 -5.262 -4.604 1.799 60 HD21 LEU 7 3HD2 LEU 7 -7.930 -5.642 -0.496 61 HD22 LEU 7 1HD2 LEU 7 -6.990 -6.873 -1.340 62 HD23 LEU 7 2HD2 LEU 7 -6.668 -5.165 -1.630 63 H VAL 8 H VAL 8 -3.421 -7.367 -3.306 64 HA VAL 8 HA VAL 8 -0.694 -8.007 -2.454 65 HB VAL 8 HB VAL 8 -1.934 -8.309 -5.216 66 HG11 VAL 8 1HG1 VAL 8 0.452 -7.823 -5.312 67 HG12 VAL 8 2HG1 VAL 8 0.126 -9.490 -5.797 68 HG13 VAL 8 3HG1 VAL 8 0.776 -9.148 -4.194 69 HG21 VAL 8 3HG2 VAL 8 -2.829 -9.958 -3.651 70 HG22 VAL 8 1HG2 VAL 8 -1.192 -10.420 -3.187 71 HG23 VAL 8 2HG2 VAL 8 -1.761 -10.723 -4.825 72 H LEU 9 H LEU 9 0.570 -6.324 -2.391 73 HA LEU 9 HA LEU 9 -0.154 -3.870 -3.844 74 HB2 LEU 9 1HB LEU 9 0.086 -3.856 -1.358 75 HB3 LEU 9 2HB LEU 9 1.757 -4.327 -1.545 76 HG LEU 9 HG LEU 9 2.164 -2.167 -2.741 77 HD11 LEU 9 1HD1 LEU 9 -0.631 -1.557 -1.802 78 HD12 LEU 9 2HD1 LEU 9 -0.104 -1.715 -3.478 79 HD13 LEU 9 3HD1 LEU 9 0.506 -0.394 -2.483 80 HD21 LEU 9 3HD2 LEU 9 2.702 -2.449 -0.377 81 HD22 LEU 9 1HD2 LEU 9 1.061 -1.973 0.059 82 HD23 LEU 9 2HD2 LEU 9 2.139 -0.810 -0.711 83 H ASP 10 H ASP 10 1.132 -3.230 -5.519 84 HA ASP 10 HA ASP 10 3.486 -4.826 -6.206 85 HB2 ASP 10 1HB ASP 10 1.837 -3.962 -7.965 86 HB3 ASP 10 2HB ASP 10 2.480 -2.356 -7.649 87 H LEU 11 H LEU 11 5.320 -4.381 -5.181 88 HA LEU 11 HA LEU 11 5.719 -1.780 -4.025 89 HB2 LEU 11 1HB LEU 11 7.550 -4.158 -3.988 90 HB3 LEU 11 2HB LEU 11 7.749 -2.692 -3.056 91 HG LEU 11 HG LEU 11 5.659 -4.820 -2.727 92 HD11 LEU 11 1HD1 LEU 11 7.783 -3.730 -0.906 93 HD12 LEU 11 2HD1 LEU 11 7.821 -5.269 -1.748 94 HD13 LEU 11 3HD1 LEU 11 6.626 -4.988 -0.479 95 HD21 LEU 11 3HD2 LEU 11 4.543 -2.674 -2.470 96 HD22 LEU 11 1HD2 LEU 11 5.809 -2.129 -1.368 97 HD23 LEU 11 2HD2 LEU 11 4.743 -3.451 -0.901 98 H GLU 12 H GLU 12 6.651 -3.369 -6.892 99 HA GLU 12 HA GLU 12 9.072 -1.843 -7.190 100 HB2 GLU 12 1HB GLU 12 7.641 -3.543 -9.230 101 HB3 GLU 12 2HB GLU 12 9.304 -2.969 -9.328 102 HG2 GLU 12 1HG GLU 12 9.833 -4.276 -7.299 103 HG3 GLU 12 2HG GLU 12 8.189 -4.902 -7.314 104 H ARG 13 H ARG 13 5.791 -1.785 -8.319 105 HA ARG 13 HA ARG 13 6.044 0.464 -10.044 106 HB2 ARG 13 1HB ARG 13 4.097 -1.185 -9.877 107 HB3 ARG 13 2HB ARG 13 3.588 -0.300 -8.453 108 HG2 ARG 13 1HG ARG 13 2.299 0.531 -10.246 109 HG3 ARG 13 2HG ARG 13 3.528 1.762 -9.931 110 HD2 ARG 13 1HD ARG 13 3.321 1.363 -12.331 111 HD3 ARG 13 2HD ARG 13 4.901 0.839 -11.756 112 HE ARG 13 HE ARG 13 2.724 -1.091 -11.987 113 HH11 ARG 13 1HH1 ARG 13 5.930 -0.006 -13.077 114 HH12 ARG 13 2HH1 ARG 13 6.247 -1.418 -13.961 115 HH21 ARG 13 1HH2 ARG 13 3.188 -3.029 -13.171 116 HH22 ARG 13 2HH2 ARG 13 4.668 -3.179 -14.019 117 H LEU 14 H LEU 14 5.403 -0.053 -6.666 118 HA LEU 14 HA LEU 14 4.728 2.537 -5.804 119 HB2 LEU 14 1HB LEU 14 4.386 0.443 -4.539 120 HB3 LEU 14 2HB LEU 14 6.119 0.311 -4.341 121 HG LEU 14 HG LEU 14 6.027 2.480 -3.069 122 HD11 LEU 14 1HD1 LEU 14 3.876 3.283 -3.863 123 HD12 LEU 14 2HD1 LEU 14 3.871 3.112 -2.108 124 HD13 LEU 14 3HD1 LEU 14 3.070 1.906 -3.111 125 HD21 LEU 14 3HD2 LEU 14 4.496 0.143 -1.944 126 HD22 LEU 14 1HD2 LEU 14 5.335 1.391 -1.023 127 HD23 LEU 14 2HD2 LEU 14 6.252 0.271 -2.029 128 H ALA 15 H ALA 15 7.779 0.871 -6.198 129 HA ALA 15 HA ALA 15 9.479 2.632 -4.881 130 HB1 ALA 15 3HB ALA 15 11.292 1.584 -6.105 131 HB2 ALA 15 1HB ALA 15 10.142 0.898 -7.252 132 HB3 ALA 15 2HB ALA 15 10.126 0.372 -5.569 133 H THR 16 H THR 16 8.125 2.854 -8.122 134 HA THR 16 HA THR 16 9.909 5.031 -8.725 135 HB THR 16 HB THR 16 8.521 5.040 -10.913 136 HG1 THR 16 HG1 THR 16 6.828 3.695 -10.172 137 HG21 THR 16 3HG2 THR 16 9.890 3.209 -11.814 138 HG22 THR 16 1HG2 THR 16 10.267 2.687 -10.173 139 HG23 THR 16 2HG2 THR 16 10.830 4.254 -10.751 140 H VAL 17 H VAL 17 7.088 4.797 -7.056 141 HA VAL 17 HA VAL 17 5.898 7.253 -8.017 142 HB VAL 17 HB VAL 17 5.235 5.621 -5.529 143 HG11 VAL 17 1HG1 VAL 17 4.450 7.925 -5.339 144 HG12 VAL 17 2HG1 VAL 17 3.091 6.817 -5.514 145 HG13 VAL 17 3HG1 VAL 17 3.623 7.781 -6.892 146 HG21 VAL 17 3HG2 VAL 17 3.343 4.734 -6.786 147 HG22 VAL 17 1HG2 VAL 17 4.871 4.321 -7.561 148 HG23 VAL 17 2HG2 VAL 17 3.869 5.619 -8.220 149 HA PRO 18 HA PRO 18 8.659 10.090 -5.981 150 HB2 PRO 18 1HB PRO 18 6.014 11.342 -5.355 151 HB3 PRO 18 2HB PRO 18 7.519 12.118 -5.869 152 HG2 PRO 18 1HG PRO 18 5.617 11.652 -7.644 153 HG3 PRO 18 2HG PRO 18 7.315 11.377 -8.060 154 HD2 PRO 18 1HD PRO 18 5.164 9.401 -7.543 155 HD3 PRO 18 2HD PRO 18 6.630 9.242 -8.532 156 H ALA 19 H ALA 19 9.503 10.362 -4.054 157 HA ALA 19 HA ALA 19 8.848 8.719 -1.899 158 HB1 ALA 19 3HB ALA 19 11.114 9.523 -2.383 159 HB2 ALA 19 1HB ALA 19 10.642 9.835 -0.711 160 HB3 ALA 19 2HB ALA 19 10.630 11.145 -1.888 161 H GLU 20 H GLU 20 7.809 11.918 -2.647 162 HA GLU 20 HA GLU 20 7.061 12.921 -0.154 163 HB2 GLU 20 1HB GLU 20 5.602 13.244 -2.777 164 HB3 GLU 20 2HB GLU 20 5.351 14.237 -1.354 165 HG2 GLU 20 1HG GLU 20 7.806 14.075 -3.066 166 HG3 GLU 20 2HG GLU 20 6.712 15.441 -2.872 167 H LYS 21 H LYS 21 5.538 10.559 -2.193 168 HA LYS 21 HA LYS 21 3.240 10.403 -0.368 169 HB2 LYS 21 1HB LYS 21 3.489 9.492 -3.231 170 HB3 LYS 21 2HB LYS 21 2.044 9.364 -2.242 171 HG2 LYS 21 1HG LYS 21 1.882 11.789 -2.134 172 HG3 LYS 21 2HG LYS 21 3.371 11.943 -3.069 173 HD2 LYS 21 1HD LYS 21 2.285 10.783 -4.950 174 HD3 LYS 21 2HD LYS 21 0.795 10.679 -4.013 175 HE2 LYS 21 1HE LYS 21 0.678 13.116 -3.917 176 HE3 LYS 21 2HE LYS 21 2.183 13.230 -4.824 177 HZ1 LYS 21 3HZ LYS 21 0.283 13.540 -6.267 178 HZ2 LYS 21 1HZ LYS 21 -0.358 12.061 -5.816 179 HZ3 LYS 21 2HZ LYS 21 1.066 12.114 -6.689 180 H ALA 22 H ALA 22 5.374 8.400 -2.406 181 HA ALA 22 HA ALA 22 4.395 6.025 -1.059 182 HB1 ALA 22 3HB ALA 22 6.280 6.278 -3.376 183 HB2 ALA 22 1HB ALA 22 4.534 6.058 -3.476 184 HB3 ALA 22 2HB ALA 22 5.547 4.790 -2.778 185 H GLY 23 H GLY 23 6.973 8.122 -0.613 186 HA2 GLY 23 1HA GLY 23 9.211 6.523 -0.252 187 HA3 GLY 23 2HA GLY 23 8.918 8.022 0.605 188 HA PRO 24 HA PRO 24 8.359 5.916 4.481 189 HB2 PRO 24 1HB PRO 24 5.535 6.802 4.715 190 HB3 PRO 24 2HB PRO 24 6.883 7.081 5.822 191 HG2 PRO 24 1HG PRO 24 5.968 9.060 4.318 192 HG3 PRO 24 2HG PRO 24 7.713 8.853 4.557 193 HD2 PRO 24 1HD PRO 24 6.029 8.091 2.193 194 HD3 PRO 24 2HD PRO 24 7.630 8.860 2.230 195 H LEU 25 H LEU 25 5.896 5.411 2.099 196 HA LEU 25 HA LEU 25 4.683 3.172 3.423 197 HB2 LEU 25 1HB LEU 25 3.575 4.769 1.791 198 HB3 LEU 25 2HB LEU 25 4.418 3.966 0.506 199 HG LEU 25 HG LEU 25 2.320 2.713 2.324 200 HD11 LEU 25 1HD1 LEU 25 0.875 2.763 0.378 201 HD12 LEU 25 2HD1 LEU 25 2.122 3.625 -0.522 202 HD13 LEU 25 3HD1 LEU 25 1.365 4.381 0.880 203 HD21 LEU 25 3HD2 LEU 25 3.500 1.591 -0.209 204 HD22 LEU 25 1HD2 LEU 25 2.279 0.839 0.808 205 HD23 LEU 25 2HD2 LEU 25 3.927 1.045 1.414 206 H GLN 26 H GLN 26 7.003 3.638 0.794 207 HA GLN 26 HA GLN 26 7.512 0.965 0.126 208 HB2 GLN 26 1HB GLN 26 9.371 3.333 0.168 209 HB3 GLN 26 2HB GLN 26 9.797 1.770 -0.502 210 HG2 GLN 26 1HG GLN 26 8.070 2.007 -2.189 211 HG3 GLN 26 2HG GLN 26 7.568 3.544 -1.477 212 HE21 GLN 26 2HE2 GLN 26 8.022 4.639 -3.403 213 HE22 GLN 26 1HE2 GLN 26 9.647 4.987 -3.856 214 H ARG 27 H ARG 27 8.815 3.006 2.635 215 HA ARG 27 HA ARG 27 10.759 1.197 3.586 216 HB2 ARG 27 1HB ARG 27 9.344 3.465 4.941 217 HB3 ARG 27 2HB ARG 27 10.674 2.575 5.666 218 HG2 ARG 27 1HG ARG 27 10.780 4.202 3.109 219 HG3 ARG 27 2HG ARG 27 11.423 4.696 4.676 220 HD2 ARG 27 1HD ARG 27 12.375 2.309 3.066 221 HD3 ARG 27 2HD ARG 27 13.187 3.867 3.161 222 HE ARG 27 HE ARG 27 13.074 3.255 5.714 223 HH11 ARG 27 1HH1 ARG 27 14.051 1.167 3.002 224 HH12 ARG 27 2HH1 ARG 27 15.110 0.233 3.939 225 HH21 ARG 27 1HH2 ARG 27 14.567 2.004 6.953 226 HH22 ARG 27 2HH2 ARG 27 15.398 0.697 6.244 227 H TYR 28 H TYR 28 7.462 1.809 4.636 228 HA TYR 28 HA TYR 28 7.235 -0.096 6.696 229 HB2 TYR 28 1HB TYR 28 5.443 1.536 6.131 230 HB3 TYR 28 2HB TYR 28 5.119 0.662 4.645 231 HD1 TYR 28 HD1 TYR 28 3.988 -1.608 4.776 232 HD2 TYR 28 HD2 TYR 28 4.538 0.826 8.230 233 HE1 TYR 28 HE1 TYR 28 2.267 -2.916 5.971 234 HE2 TYR 28 HE2 TYR 28 2.835 -0.478 9.430 235 HH TYR 28 HH TYR 28 1.481 -3.442 8.217 236 H ALA 29 H ALA 29 6.567 -0.402 3.252 237 HA ALA 29 HA ALA 29 5.936 -3.093 3.108 238 HB1 ALA 29 3HB ALA 29 7.345 -1.403 1.061 239 HB2 ALA 29 1HB ALA 29 5.600 -1.491 1.298 240 HB3 ALA 29 2HB ALA 29 6.491 -2.914 0.752 241 H ALA 30 H ALA 30 9.106 -1.550 2.691 242 HA ALA 30 HA ALA 30 10.637 -3.828 2.206 243 HB1 ALA 30 3HB ALA 30 11.490 -1.301 3.617 244 HB2 ALA 30 1HB ALA 30 11.456 -1.543 1.871 245 HB3 ALA 30 2HB ALA 30 12.563 -2.485 2.874 246 H THR 31 H THR 31 9.505 -2.478 5.198 247 HA THR 31 HA THR 31 11.150 -4.044 6.933 248 HB THR 31 HB THR 31 8.511 -2.663 7.529 249 HG1 THR 31 HG1 THR 31 10.120 -1.225 6.675 250 HG21 THR 31 3HG2 THR 31 9.199 -4.244 9.276 251 HG22 THR 31 1HG2 THR 31 9.362 -2.583 9.849 252 HG23 THR 31 2HG2 THR 31 10.790 -3.491 9.346 253 H ILE 32 H ILE 32 8.078 -4.436 5.350 254 HA ILE 32 HA ILE 32 7.303 -6.739 6.913 255 HB ILE 32 HB ILE 32 6.007 -5.524 4.450 256 HG12 ILE 32 1HG1 ILE 32 5.998 -3.944 6.308 257 HG13 ILE 32 2HG1 ILE 32 4.373 -4.542 6.014 258 HG21 ILE 32 1HG2 ILE 32 4.899 -7.540 6.403 259 HG22 ILE 32 2HG2 ILE 32 5.360 -7.852 4.733 260 HG23 ILE 32 3HG2 ILE 32 4.000 -6.785 5.087 261 HD11 ILE 32 3HD1 ILE 32 6.226 -5.417 8.230 262 HD12 ILE 32 1HD1 ILE 32 4.612 -6.062 7.934 263 HD13 ILE 32 2HD1 ILE 32 4.818 -4.372 8.388 264 H GLN 33 H GLN 33 8.783 -6.079 3.811 265 HA GLN 33 HA GLN 33 8.476 -8.425 2.416 266 HB2 GLN 33 1HB GLN 33 11.007 -6.805 2.646 267 HB3 GLN 33 2HB GLN 33 10.711 -8.040 1.436 268 HG2 GLN 33 1HG GLN 33 8.869 -6.713 0.540 269 HG3 GLN 33 2HG GLN 33 9.171 -5.478 1.760 270 HE21 GLN 33 2HE2 GLN 33 11.706 -7.274 0.153 271 HE22 GLN 33 1HE2 GLN 33 12.347 -5.945 -0.722 272 H SER 34 H SER 34 10.821 -7.802 5.006 273 HA SER 34 HA SER 34 12.251 -10.171 4.704 274 HB2 SER 34 1HB SER 34 12.963 -9.540 7.097 275 HB3 SER 34 2HB SER 34 13.354 -8.440 5.767 276 HG SER 34 HG SER 34 12.492 -7.241 7.349 277 H GLN 35 H GLN 35 9.376 -9.429 6.658 278 HA GLN 35 HA GLN 35 9.522 -12.001 7.973 279 HB2 GLN 35 1HB GLN 35 7.395 -11.500 9.015 280 HB3 GLN 35 2HB GLN 35 8.357 -10.029 9.054 281 HG2 GLN 35 1HG GLN 35 7.109 -9.087 7.255 282 HG3 GLN 35 2HG GLN 35 6.285 -10.610 6.968 283 HE21 GLN 35 2HE2 GLN 35 6.802 -9.285 10.184 284 HE22 GLN 35 1HE2 GLN 35 5.144 -8.918 10.463 285 H ARG 36 H ARG 36 8.289 -10.741 5.056 286 HA ARG 36 HA ARG 36 6.466 -12.946 4.597 287 HB2 ARG 36 1HB ARG 36 7.252 -10.661 2.778 288 HB3 ARG 36 2HB ARG 36 5.978 -11.832 2.452 289 HG2 ARG 36 1HG ARG 36 6.020 -9.945 4.793 290 HG3 ARG 36 2HG ARG 36 5.148 -9.654 3.290 291 HD2 ARG 36 1HD ARG 36 3.633 -11.390 3.706 292 HD3 ARG 36 2HD ARG 36 4.675 -12.145 4.908 293 HE ARG 36 HE ARG 36 4.212 -9.934 6.172 294 HH11 ARG 36 1HH1 ARG 36 1.740 -11.415 4.098 295 HH12 ARG 36 2HH1 ARG 36 0.497 -11.181 5.223 296 HH21 ARG 36 1HH2 ARG 36 2.532 -9.555 7.637 297 HH22 ARG 36 2HH2 ARG 36 0.940 -10.067 7.296 298 H GLY 37 H GLY 37 9.667 -12.772 4.498 299 HA2 GLY 37 1HA GLY 37 10.826 -14.785 3.843 300 HA3 GLY 37 2HA GLY 37 9.712 -14.913 2.489 301 H ASP 38 H ASP 38 10.855 -11.780 2.997 302 HA ASP 38 HA ASP 38 12.504 -10.441 2.213 303 HB2 ASP 38 1HB ASP 38 14.165 -12.209 2.818 304 HB3 ASP 38 2HB ASP 38 13.923 -12.927 1.237 305 H TYR 39 H TYR 39 11.872 -12.915 0.113 306 HA TYR 39 HA TYR 39 12.141 -11.222 -2.224 307 HB2 TYR 39 1HB TYR 39 11.644 -14.187 -2.078 308 HB3 TYR 39 2HB TYR 39 11.765 -13.289 -3.594 309 HD1 TYR 39 HD1 TYR 39 13.863 -12.256 -4.269 310 HD2 TYR 39 HD2 TYR 39 13.615 -14.590 -0.726 311 HE1 TYR 39 HE1 TYR 39 16.313 -12.318 -4.143 312 HE2 TYR 39 HE2 TYR 39 16.071 -14.660 -0.601 313 HH TYR 39 HH TYR 39 18.007 -14.402 -2.122 314 H ASN 40 H ASN 40 9.657 -11.867 -0.254 315 HA ASN 40 HA ASN 40 7.670 -11.397 -2.328 316 HB2 ASN 40 1HB ASN 40 7.092 -12.830 -0.306 317 HB3 ASN 40 2HB ASN 40 7.286 -11.404 0.699 318 HD21 ASN 40 2HD2 ASN 40 5.307 -12.982 -1.683 319 HD22 ASN 40 1HD2 ASN 40 3.892 -12.029 -1.460 320 H GLY 41 H GLY 41 9.156 -9.673 -2.859 321 HA2 GLY 41 1HA GLY 41 8.334 -7.183 -1.559 322 HA3 GLY 41 2HA GLY 41 10.026 -7.472 -1.936 323 H LYS 42 H LYS 42 8.473 -8.920 -4.380 324 HA LYS 42 HA LYS 42 8.710 -6.629 -6.140 325 HB2 LYS 42 1HB LYS 42 7.507 -9.366 -6.732 326 HB3 LYS 42 2HB LYS 42 7.955 -8.150 -7.918 327 HG2 LYS 42 1HG LYS 42 10.311 -8.408 -7.239 328 HG3 LYS 42 2HG LYS 42 9.827 -9.704 -6.143 329 HD2 LYS 42 1HD LYS 42 10.646 -10.703 -8.166 330 HD3 LYS 42 2HD LYS 42 8.899 -10.917 -8.127 331 HE2 LYS 42 1HE LYS 42 9.636 -10.271 -10.361 332 HE3 LYS 42 2HE LYS 42 8.641 -9.004 -9.657 333 HZ1 LYS 42 3HZ LYS 42 10.588 -7.693 -9.225 334 HZ2 LYS 42 1HZ LYS 42 10.642 -8.206 -10.813 335 HZ3 LYS 42 2HZ LYS 42 11.622 -8.961 -9.695 336 H VAL 43 H VAL 43 6.261 -8.879 -5.120 337 HA VAL 43 HA VAL 43 4.374 -6.710 -4.946 338 HB VAL 43 HB VAL 43 2.559 -8.434 -5.337 339 HG11 VAL 43 1HG1 VAL 43 3.197 -6.897 -7.107 340 HG12 VAL 43 2HG1 VAL 43 2.765 -8.472 -7.770 341 HG13 VAL 43 3HG1 VAL 43 4.462 -8.008 -7.634 342 HG21 VAL 43 3HG2 VAL 43 4.851 -10.141 -6.321 343 HG22 VAL 43 1HG2 VAL 43 3.138 -10.522 -6.501 344 HG23 VAL 43 2HG2 VAL 43 3.863 -10.463 -4.894 345 H LEU 44 H LEU 44 3.495 -6.549 -3.024 346 HA LEU 44 HA LEU 44 4.554 -8.328 -0.976 347 HB2 LEU 44 1HB LEU 44 4.887 -5.863 -0.831 348 HB3 LEU 44 2HB LEU 44 3.156 -5.671 -0.733 349 HG LEU 44 HG LEU 44 3.158 -6.940 1.383 350 HD11 LEU 44 1HD1 LEU 44 6.153 -6.787 1.107 351 HD12 LEU 44 2HD1 LEU 44 5.174 -8.256 1.087 352 HD13 LEU 44 3HD1 LEU 44 5.289 -7.289 2.557 353 HD21 LEU 44 3HD2 LEU 44 3.185 -4.510 1.397 354 HD22 LEU 44 1HD2 LEU 44 4.947 -4.515 1.326 355 HD23 LEU 44 2HD2 LEU 44 4.121 -5.147 2.749 356 H SER 45 H SER 45 3.278 -9.825 -0.292 357 HA SER 45 HA SER 45 0.429 -9.706 -0.870 358 HB2 SER 45 1HB SER 45 2.067 -11.955 0.313 359 HB3 SER 45 2HB SER 45 0.467 -12.064 -0.432 360 HG SER 45 HG SER 45 2.142 -10.837 -2.075 361 H ILE 46 H ILE 46 -0.632 -8.523 0.639 362 HA ILE 46 HA ILE 46 -0.116 -9.169 3.404 363 HB ILE 46 HB ILE 46 -0.449 -6.677 3.965 364 HG12 ILE 46 1HG1 ILE 46 0.653 -5.138 2.244 365 HG13 ILE 46 2HG1 ILE 46 0.416 -6.423 1.072 366 HG21 ILE 46 1HG2 ILE 46 1.978 -6.226 3.774 367 HG22 ILE 46 2HG2 ILE 46 2.118 -7.743 2.866 368 HG23 ILE 46 3HG2 ILE 46 1.553 -7.760 4.524 369 HD11 ILE 46 3HD1 ILE 46 -1.741 -4.934 2.562 370 HD12 ILE 46 1HD1 ILE 46 -2.006 -6.269 1.436 371 HD13 ILE 46 2HD1 ILE 46 -1.307 -4.755 0.861 372 H ARG 47 H ARG 47 -1.723 -7.745 4.760 373 HA ARG 47 HA ARG 47 -4.375 -8.668 3.930 374 HB2 ARG 47 1HB ARG 47 -3.322 -7.883 6.618 375 HB3 ARG 47 2HB ARG 47 -4.910 -8.542 6.273 376 HG2 ARG 47 1HG ARG 47 -3.892 -10.625 5.533 377 HG3 ARG 47 2HG ARG 47 -2.292 -9.966 5.864 378 HD2 ARG 47 1HD ARG 47 -2.959 -9.604 8.187 379 HD3 ARG 47 2HD ARG 47 -4.513 -10.354 7.801 380 HE ARG 47 HE ARG 47 -2.457 -12.071 7.048 381 HH11 ARG 47 1HH1 ARG 47 -3.884 -10.796 10.061 382 HH12 ARG 47 2HH1 ARG 47 -3.534 -12.188 10.967 383 HH21 ARG 47 1HH2 ARG 47 -1.985 -13.997 8.370 384 HH22 ARG 47 2HH2 ARG 47 -2.455 -14.015 10.013 385 H GLN 48 H GLN 48 -6.167 -7.389 4.544 386 HA GLN 48 HA GLN 48 -6.025 -4.657 3.848 387 HB2 GLN 48 1HB GLN 48 -8.382 -4.541 4.421 388 HB3 GLN 48 2HB GLN 48 -8.101 -6.079 3.627 389 HG2 GLN 48 1HG GLN 48 -8.359 -5.687 6.616 390 HG3 GLN 48 2HG GLN 48 -9.654 -6.216 5.554 391 HE21 GLN 48 2HE2 GLN 48 -7.959 -8.022 3.940 392 HE22 GLN 48 1HE2 GLN 48 -7.587 -9.323 4.993 393 H ASP 49 H ASP 49 -5.704 -6.410 6.760 394 HA ASP 49 HA ASP 49 -6.129 -4.474 8.733 395 HB2 ASP 49 1HB ASP 49 -5.898 -6.896 9.171 396 HB3 ASP 49 2HB ASP 49 -4.194 -6.796 8.754 397 H ASP 50 H ASP 50 -3.252 -5.260 6.825 398 HA ASP 50 HA ASP 50 -1.649 -3.359 8.239 399 HB2 ASP 50 1HB ASP 50 -1.120 -5.004 5.775 400 HB3 ASP 50 2HB ASP 50 0.007 -3.763 6.309 401 H LEU 51 H LEU 51 -3.593 -3.344 5.379 402 HA LEU 51 HA LEU 51 -2.741 -0.825 4.422 403 HB2 LEU 51 1HB LEU 51 -4.156 -2.370 3.074 404 HB3 LEU 51 2HB LEU 51 -5.485 -2.127 4.180 405 HG LEU 51 HG LEU 51 -4.363 0.183 2.579 406 HD11 LEU 51 1HD1 LEU 51 -6.505 -1.758 1.716 407 HD12 LEU 51 2HD1 LEU 51 -4.912 -1.570 0.978 408 HD13 LEU 51 3HD1 LEU 51 -6.084 -0.255 0.896 409 HD21 LEU 51 3HD2 LEU 51 -6.631 1.077 2.829 410 HD22 LEU 51 1HD2 LEU 51 -5.927 0.721 4.405 411 HD23 LEU 51 2HD2 LEU 51 -7.120 -0.372 3.708 412 H ARG 52 H ARG 52 -5.054 -1.800 6.843 413 HA ARG 52 HA ARG 52 -6.169 0.694 7.516 414 HB2 ARG 52 1HB ARG 52 -5.609 -1.668 9.322 415 HB3 ARG 52 2HB ARG 52 -6.635 -0.308 9.730 416 HG2 ARG 52 1HG ARG 52 -7.135 -2.244 7.483 417 HG3 ARG 52 2HG ARG 52 -7.898 -2.310 9.070 418 HD2 ARG 52 1HD ARG 52 -8.129 -0.038 7.092 419 HD3 ARG 52 2HD ARG 52 -9.341 -1.279 7.391 420 HE ARG 52 HE ARG 52 -8.474 0.358 9.642 421 HH11 ARG 52 1HH1 ARG 52 -11.014 -0.395 7.261 422 HH12 ARG 52 2HH1 ARG 52 -12.221 0.474 8.037 423 HH21 ARG 52 1HH2 ARG 52 -10.166 1.550 10.770 424 HH22 ARG 52 2HH2 ARG 52 -11.742 1.547 10.139 425 H THR 53 H THR 53 -3.290 -0.985 8.746 426 HA THR 53 HA THR 53 -2.441 0.839 10.645 427 HB THR 53 HB THR 53 -0.650 -0.797 8.834 428 HG1 THR 53 HG1 THR 53 -1.042 -2.500 10.174 429 HG21 THR 53 3HG2 THR 53 0.776 -0.926 10.838 430 HG22 THR 53 1HG2 THR 53 -0.385 0.057 11.728 431 HG23 THR 53 2HG2 THR 53 0.496 0.753 10.372 432 H LEU 54 H LEU 54 -1.670 0.585 7.191 433 HA LEU 54 HA LEU 54 0.128 2.682 6.913 434 HB2 LEU 54 1HB LEU 54 -1.928 1.636 4.982 435 HB3 LEU 54 2HB LEU 54 -0.705 2.799 4.534 436 HG LEU 54 HG LEU 54 -0.177 -0.019 5.490 437 HD11 LEU 54 1HD1 LEU 54 0.041 1.225 2.748 438 HD12 LEU 54 2HD1 LEU 54 -1.185 0.063 3.252 439 HD13 LEU 54 3HD1 LEU 54 0.510 -0.419 3.172 440 HD21 LEU 54 3HD2 LEU 54 1.623 1.475 6.110 441 HD22 LEU 54 1HD2 LEU 54 1.675 2.130 4.471 442 HD23 LEU 54 2HD2 LEU 54 2.122 0.453 4.771 443 H ALA 55 H ALA 55 -3.371 2.740 6.575 444 HA ALA 55 HA ALA 55 -3.697 5.408 5.859 445 HB1 ALA 55 3HB ALA 55 -5.582 3.713 7.498 446 HB2 ALA 55 1HB ALA 55 -5.469 3.709 5.738 447 HB3 ALA 55 2HB ALA 55 -6.005 5.161 6.587 448 H VAL 56 H VAL 56 -3.311 3.989 9.048 449 HA VAL 56 HA VAL 56 -3.991 6.356 10.482 450 HB VAL 56 HB VAL 56 -2.380 3.952 11.402 451 HG11 VAL 56 1HG1 VAL 56 -3.747 6.089 13.037 452 HG12 VAL 56 2HG1 VAL 56 -2.008 5.904 12.827 453 HG13 VAL 56 3HG1 VAL 56 -2.929 4.664 13.679 454 HG21 VAL 56 3HG2 VAL 56 -5.313 4.573 11.728 455 HG22 VAL 56 1HG2 VAL 56 -4.466 3.203 12.449 456 HG23 VAL 56 2HG2 VAL 56 -4.616 3.319 10.695 457 H ILE 57 H ILE 57 -1.006 4.992 9.242 458 HA ILE 57 HA ILE 57 0.844 6.578 10.675 459 HB ILE 57 HB ILE 57 1.293 5.465 7.883 460 HG12 ILE 57 1HG1 ILE 57 1.674 4.106 10.567 461 HG13 ILE 57 2HG1 ILE 57 0.492 3.725 9.309 462 HG21 ILE 57 1HG2 ILE 57 3.666 5.401 8.559 463 HG22 ILE 57 2HG2 ILE 57 3.239 6.137 10.101 464 HG23 ILE 57 3HG2 ILE 57 3.009 7.038 8.602 465 HD11 ILE 57 3HD1 ILE 57 2.254 3.031 7.813 466 HD12 ILE 57 1HD1 ILE 57 2.329 2.132 9.329 467 HD13 ILE 57 2HD1 ILE 57 3.467 3.443 9.026 468 H TYR 58 H TYR 58 -0.858 7.101 7.659 469 HA TYR 58 HA TYR 58 0.648 9.589 7.212 470 HB2 TYR 58 1HB TYR 58 -1.394 8.389 5.342 471 HB3 TYR 58 2HB TYR 58 -0.103 9.509 4.937 472 HD1 TYR 58 HD2 TYR 58 2.299 8.321 6.034 473 HD2 TYR 58 HD1 TYR 58 -1.059 6.398 4.275 474 HE1 TYR 58 HE2 TYR 58 3.676 6.303 5.534 475 HE2 TYR 58 HE1 TYR 58 0.323 4.430 3.794 476 HH TYR 58 HH TYR 58 2.594 3.851 3.551 477 H ASP 59 H ASP 59 -1.895 8.690 8.874 478 HA ASP 59 HA ASP 59 -3.873 9.469 9.602 479 HB2 ASP 59 1HB ASP 59 -2.267 11.330 10.347 480 HB3 ASP 59 2HB ASP 59 -2.860 12.251 8.967 481 H GLN 60 H GLN 60 -4.543 8.462 7.576 482 HA GLN 60 HA GLN 60 -6.095 10.380 6.033 483 HB2 GLN 60 1HB GLN 60 -4.015 10.016 4.804 484 HB3 GLN 60 2HB GLN 60 -4.239 8.284 4.894 485 HG2 GLN 60 1HG GLN 60 -6.041 8.352 3.373 486 HG3 GLN 60 2HG GLN 60 -6.156 10.107 3.474 487 HE21 GLN 60 2HE2 GLN 60 -4.350 7.445 2.219 488 HE22 GLN 60 1HE2 GLN 60 -3.443 8.365 1.065 489 H SER 61 H SER 61 -7.991 9.528 5.236 490 HA SER 61 HA SER 61 -9.184 7.427 6.635 491 HB2 SER 61 1HB SER 61 -10.489 9.246 5.693 492 HB3 SER 61 2HB SER 61 -9.968 8.831 4.068 493 HG SER 61 HG SER 61 -12.117 8.110 4.852 494 HA PRO 62 HA PRO 62 -7.746 3.762 4.494 495 HB2 PRO 62 1HB PRO 62 -10.581 2.883 4.847 496 HB3 PRO 62 2HB PRO 62 -9.086 2.034 5.263 497 HG2 PRO 62 1HG PRO 62 -10.548 3.163 7.168 498 HG3 PRO 62 2HG PRO 62 -8.780 3.263 7.212 499 HD2 PRO 62 1HD PRO 62 -10.772 5.355 6.450 500 HD3 PRO 62 2HD PRO 62 -9.236 5.510 7.328 501 H SER 63 H SER 63 -10.842 5.250 3.629 502 HA SER 63 HA SER 63 -11.285 4.073 1.147 503 HB2 SER 63 1HB SER 63 -11.956 6.897 1.985 504 HB3 SER 63 2HB SER 63 -12.824 5.885 0.825 505 HG SER 63 HG SER 63 -13.762 4.873 2.373 506 H VAL 64 H VAL 64 -9.735 7.148 1.986 507 HA VAL 64 HA VAL 64 -9.023 7.845 -0.662 508 HB VAL 64 HB VAL 64 -7.739 8.833 1.901 509 HG11 VAL 64 1HG1 VAL 64 -7.249 10.867 0.622 510 HG12 VAL 64 2HG1 VAL 64 -7.956 10.132 -0.813 511 HG13 VAL 64 3HG1 VAL 64 -6.496 9.446 -0.103 512 HG21 VAL 64 3HG2 VAL 64 -10.160 9.924 0.473 513 HG22 VAL 64 1HG2 VAL 64 -9.373 10.651 1.871 514 HG23 VAL 64 2HG2 VAL 64 -10.173 9.083 2.018 515 H LEU 65 H LEU 65 -7.363 6.242 1.979 516 HA LEU 65 HA LEU 65 -4.781 6.089 0.930 517 HB2 LEU 65 1HB LEU 65 -5.604 5.515 3.274 518 HB3 LEU 65 2HB LEU 65 -6.153 3.992 2.630 519 HG LEU 65 HG LEU 65 -4.046 3.836 3.919 520 HD11 LEU 65 1HD1 LEU 65 -2.769 2.463 2.384 521 HD12 LEU 65 2HD1 LEU 65 -3.675 3.134 1.028 522 HD13 LEU 65 3HD1 LEU 65 -4.503 2.158 2.237 523 HD21 LEU 65 3HD2 LEU 65 -1.968 4.688 2.999 524 HD22 LEU 65 1HD2 LEU 65 -3.096 5.992 3.363 525 HD23 LEU 65 2HD2 LEU 65 -2.853 5.470 1.692 526 H THR 66 H THR 66 -7.466 3.766 0.642 527 HA THR 66 HA THR 66 -6.195 1.898 -0.981 528 HB THR 66 HB THR 66 -9.143 2.621 -0.926 529 HG1 THR 66 HG1 THR 66 -8.509 2.131 1.167 530 HG21 THR 66 3HG2 THR 66 -9.500 0.275 -1.571 531 HG22 THR 66 1HG2 THR 66 -7.755 0.020 -1.627 532 HG23 THR 66 2HG2 THR 66 -8.520 1.112 -2.778 533 H GLU 67 H GLU 67 -8.166 4.741 -1.830 534 HA GLU 67 HA GLU 67 -8.128 4.288 -4.601 535 HB2 GLU 67 1HB GLU 67 -8.651 6.798 -3.039 536 HB3 GLU 67 2HB GLU 67 -8.818 6.697 -4.786 537 HG2 GLU 67 1HG GLU 67 -10.486 4.894 -4.474 538 HG3 GLU 67 2HG GLU 67 -10.367 5.138 -2.732 539 H GLN 68 H GLN 68 -5.918 6.085 -2.522 540 HA GLN 68 HA GLN 68 -4.405 7.337 -4.499 541 HB2 GLN 68 1HB GLN 68 -3.699 6.267 -1.785 542 HB3 GLN 68 2HB GLN 68 -2.541 7.143 -2.780 543 HG2 GLN 68 1HG GLN 68 -5.168 8.174 -1.764 544 HG3 GLN 68 2HG GLN 68 -3.586 8.561 -1.091 545 HE21 GLN 68 2HE2 GLN 68 -5.778 9.117 -3.729 546 HE22 GLN 68 1HE2 GLN 68 -4.928 10.414 -4.448 547 H LEU 69 H LEU 69 -3.884 4.235 -2.879 548 HA LEU 69 HA LEU 69 -1.691 3.348 -4.252 549 HB2 LEU 69 1HB LEU 69 -3.923 2.074 -2.771 550 HB3 LEU 69 2HB LEU 69 -2.861 1.052 -3.709 551 HG LEU 69 HG LEU 69 -0.981 1.589 -2.371 552 HD11 LEU 69 1HD1 LEU 69 -1.025 3.196 -0.551 553 HD12 LEU 69 2HD1 LEU 69 -2.650 3.711 -1.063 554 HD13 LEU 69 3HD1 LEU 69 -1.256 3.910 -2.144 555 HD21 LEU 69 3HD2 LEU 69 -1.706 0.949 -0.132 556 HD22 LEU 69 1HD2 LEU 69 -2.487 -0.026 -1.382 557 HD23 LEU 69 2HD2 LEU 69 -3.372 1.288 -0.595 558 H ILE 70 H ILE 70 -5.082 2.931 -5.080 559 HA ILE 70 HA ILE 70 -4.614 1.334 -7.361 560 HB ILE 70 HB ILE 70 -6.996 3.042 -6.606 561 HG12 ILE 70 1HG1 ILE 70 -6.505 0.077 -6.352 562 HG13 ILE 70 2HG1 ILE 70 -6.317 1.243 -5.048 563 HG21 ILE 70 1HG2 ILE 70 -6.804 0.853 -8.690 564 HG22 ILE 70 2HG2 ILE 70 -6.986 2.571 -9.037 565 HG23 ILE 70 3HG2 ILE 70 -8.278 1.698 -8.213 566 HD11 ILE 70 3HD1 ILE 70 -8.854 0.641 -6.517 567 HD12 ILE 70 1HD1 ILE 70 -8.665 1.784 -5.192 568 HD13 ILE 70 2HD1 ILE 70 -8.414 0.060 -4.909 569 H SER 71 H SER 71 -4.899 4.807 -6.899 570 HA SER 71 HA SER 71 -4.891 5.432 -9.677 571 HB2 SER 71 1HB SER 71 -4.239 7.218 -7.319 572 HB3 SER 71 2HB SER 71 -4.662 7.749 -8.949 573 HG SER 71 HG SER 71 -6.271 6.413 -7.052 574 H TRP 72 H TRP 72 -2.407 4.795 -7.333 575 HA TRP 72 HA TRP 72 -0.299 5.819 -9.043 576 HB2 TRP 72 1HB TRP 72 -0.079 4.102 -6.559 577 HB3 TRP 72 2HB TRP 72 1.262 4.879 -7.388 578 HD1 TRP 72 HD1 TRP 72 -0.443 7.725 -7.687 579 HE1 TRP 72 HE1 TRP 72 -0.580 9.213 -5.604 580 HE3 TRP 72 HE3 TRP 72 0.717 4.246 -4.169 581 HZ2 TRP 72 HZ2 TRP 72 -0.207 8.955 -2.814 582 HZ3 TRP 72 HZ3 TRP 72 0.829 4.946 -1.801 583 HH2 TRP 72 HH2 TRP 72 0.375 7.250 -1.145 584 H GLY 73 H GLY 73 -2.107 2.999 -8.762 585 HA2 GLY 73 1HA GLY 73 -2.083 1.156 -10.199 586 HA3 GLY 73 2HA GLY 73 -0.537 1.712 -10.835 587 H VAL 74 H VAL 74 -0.926 1.492 -7.421 588 HA VAL 74 HA VAL 74 0.902 -0.765 -7.470 589 HB VAL 74 HB VAL 74 1.580 -0.182 -5.220 590 HG11 VAL 74 1HG1 VAL 74 2.629 1.999 -5.676 591 HG12 VAL 74 2HG1 VAL 74 1.599 2.169 -7.095 592 HG13 VAL 74 3HG1 VAL 74 2.785 0.862 -7.011 593 HG21 VAL 74 3HG2 VAL 74 0.815 1.868 -4.127 594 HG22 VAL 74 1HG2 VAL 74 -0.504 0.721 -4.367 595 HG23 VAL 74 2HG2 VAL 74 -0.348 2.116 -5.433 596 H LEU 75 H LEU 75 -2.310 -0.192 -7.058 597 HA LEU 75 HA LEU 75 -2.673 -2.732 -5.677 598 HB2 LEU 75 1HB LEU 75 -2.799 -0.919 -3.992 599 HB3 LEU 75 2HB LEU 75 -4.097 -0.178 -4.911 600 HG LEU 75 HG LEU 75 -5.464 -2.227 -4.462 601 HD11 LEU 75 1HD1 LEU 75 -3.641 -3.792 -4.035 602 HD12 LEU 75 2HD1 LEU 75 -4.757 -3.726 -2.672 603 HD13 LEU 75 3HD1 LEU 75 -3.204 -2.896 -2.582 604 HD21 LEU 75 3HD2 LEU 75 -5.947 -1.631 -2.134 605 HD22 LEU 75 1HD2 LEU 75 -5.737 -0.201 -3.144 606 HD23 LEU 75 2HD2 LEU 75 -4.443 -0.713 -2.062 607 H ASP 76 H ASP 76 -4.763 -3.684 -6.173 608 HA ASP 76 HA ASP 76 -5.650 -2.877 -8.806 609 HB2 ASP 76 1HB ASP 76 -5.073 -5.228 -8.381 610 HB3 ASP 76 2HB ASP 76 -6.357 -5.319 -7.183 611 H ALA 77 H ALA 77 -7.913 -2.797 -9.384 612 HA ALA 77 HA ALA 77 -9.444 -1.088 -7.752 613 HB1 ALA 77 3HB ALA 77 -9.476 -1.038 -10.198 614 HB2 ALA 77 1HB ALA 77 -11.099 -1.201 -9.518 615 HB3 ALA 77 2HB ALA 77 -10.286 -2.606 -10.208 616 H ASP 78 H ASP 78 -9.324 -4.488 -7.864 617 HA ASP 78 HA ASP 78 -11.980 -5.019 -6.886 618 HB2 ASP 78 1HB ASP 78 -10.739 -6.803 -7.955 619 HB3 ASP 78 2HB ASP 78 -9.480 -6.707 -6.730 620 H ALA 79 H ALA 79 -9.012 -4.118 -5.438 621 HA ALA 79 HA ALA 79 -9.405 -4.873 -2.771 622 HB1 ALA 79 3HB ALA 79 -7.259 -4.135 -3.670 623 HB2 ALA 79 1HB ALA 79 -7.709 -3.220 -2.232 624 HB3 ALA 79 2HB ALA 79 -7.894 -2.498 -3.831 625 H ARG 80 H ARG 80 -10.792 -2.367 -4.608 626 HA ARG 80 HA ARG 80 -11.468 -0.413 -2.704 627 HB2 ARG 80 1HB ARG 80 -13.084 -1.256 -5.099 628 HB3 ARG 80 2HB ARG 80 -13.199 0.287 -4.261 629 HG2 ARG 80 1HG ARG 80 -10.942 0.829 -4.924 630 HG3 ARG 80 2HG ARG 80 -10.766 -0.748 -5.686 631 HD2 ARG 80 1HD ARG 80 -11.205 0.761 -7.411 632 HD3 ARG 80 2HD ARG 80 -12.672 -0.148 -7.150 633 HE ARG 80 HE ARG 80 -12.853 2.086 -5.530 634 HH11 ARG 80 1HH1 ARG 80 -12.696 1.527 -9.030 635 HH12 ARG 80 2HH1 ARG 80 -13.730 2.832 -9.391 636 HH21 ARG 80 1HH2 ARG 80 -14.232 3.872 -6.083 637 HH22 ARG 80 2HH2 ARG 80 -14.601 4.164 -7.732 638 H ARG 81 H ARG 81 -12.767 -3.569 -3.238 639 HA ARG 81 HA ARG 81 -15.314 -3.076 -2.038 640 HB2 ARG 81 1HB ARG 81 -13.933 -5.715 -2.562 641 HB3 ARG 81 2HB ARG 81 -15.647 -5.485 -2.231 642 HG2 ARG 81 1HG ARG 81 -15.861 -4.180 -4.306 643 HG3 ARG 81 2HG ARG 81 -14.152 -4.451 -4.628 644 HD2 ARG 81 1HD ARG 81 -14.625 -6.895 -4.617 645 HD3 ARG 81 2HD ARG 81 -16.347 -6.513 -4.517 646 HE ARG 81 HE ARG 81 -14.922 -5.206 -6.639 647 HH11 ARG 81 1HH1 ARG 81 -16.883 -8.034 -5.791 648 HH12 ARG 81 2HH1 ARG 81 -17.160 -8.484 -7.411 649 HH21 ARG 81 1HH2 ARG 81 -15.339 -5.833 -8.864 650 HH22 ARG 81 2HH2 ARG 81 -16.309 -7.200 -9.177 651 H ALA 82 H ALA 82 -12.189 -3.531 -0.815 652 HA ALA 82 HA ALA 82 -12.845 -4.745 1.674 653 HB1 ALA 82 3HB ALA 82 -10.531 -4.692 0.823 654 HB2 ALA 82 1HB ALA 82 -10.643 -3.944 2.416 655 HB3 ALA 82 2HB ALA 82 -10.521 -2.935 0.976 656 H VAL 83 H VAL 83 -12.568 -1.450 0.508 657 HA VAL 83 HA VAL 83 -13.707 -0.540 3.029 658 HB VAL 83 HB VAL 83 -12.432 1.173 0.866 659 HG11 VAL 83 1HG1 VAL 83 -13.299 1.841 3.678 660 HG12 VAL 83 2HG1 VAL 83 -14.051 2.399 2.186 661 HG13 VAL 83 3HG1 VAL 83 -12.424 2.931 2.607 662 HG21 VAL 83 3HG2 VAL 83 -10.749 -0.264 1.900 663 HG22 VAL 83 1HG2 VAL 83 -11.263 0.263 3.503 664 HG23 VAL 83 2HG2 VAL 83 -10.518 1.414 2.393 665 H ALA 84 H ALA 84 -15.630 -1.506 2.281 666 HA ALA 84 HA ALA 84 -17.132 0.195 0.423 667 HB1 ALA 84 3HB ALA 84 -18.511 -1.786 -0.065 668 HB2 ALA 84 1HB ALA 84 -17.495 -2.746 1.010 669 HB3 ALA 84 2HB ALA 84 -16.818 -2.065 -0.470 670 H SER 85 H SER 85 -19.658 -0.413 1.012 671 HA SER 85 HA SER 85 -20.072 0.698 3.569 672 HB2 SER 85 1HB SER 85 -22.043 -0.651 1.711 673 HB3 SER 85 2HB SER 85 -22.415 0.479 3.017 674 HG SER 85 HG SER 85 -20.922 1.908 1.832 675 H HIS 86 H HIS 86 -20.532 -0.265 5.397 676 HA HIS 86 HA HIS 86 -20.988 -3.164 5.502 677 HB2 HIS 86 1HB HIS 86 -18.888 -1.633 7.069 678 HB3 HIS 86 2HB HIS 86 -19.542 -3.157 7.629 679 HD1 HIS 86 HD1 HIS 86 -18.353 -5.220 6.818 680 HD2 HIS 86 HD2 HIS 86 -17.460 -1.869 4.543 681 HE1 HIS 86 HE1 HIS 86 -16.447 -5.884 5.327 682 H ASP 87 H ASP 87 -21.445 -3.551 8.039 683 HA ASP 87 HA ASP 87 -23.645 -1.777 8.592 684 HB2 ASP 87 1HB ASP 87 -22.596 -4.195 10.066 685 HB3 ASP 87 2HB ASP 87 -23.984 -3.263 10.628 686 H GLU 88 H GLU 88 -20.489 -1.603 9.076 687 HA GLU 88 HA GLU 88 -20.635 0.037 11.524 688 HB2 GLU 88 1HB GLU 88 -18.246 -1.191 10.147 689 HB3 GLU 88 2HB GLU 88 -18.226 -0.320 11.673 690 HG2 GLU 88 1HG GLU 88 -19.503 -2.046 12.732 691 HG3 GLU 88 2HG GLU 88 -19.720 -2.871 11.193 692 H LEU 89 H LEU 89 -20.855 0.369 8.266 693 HA LEU 89 HA LEU 89 -19.821 3.020 8.246 694 HB2 LEU 89 1HB LEU 89 -17.792 1.702 7.693 695 HB3 LEU 89 2HB LEU 89 -18.662 0.940 6.377 696 HG LEU 89 HG LEU 89 -18.935 3.184 5.336 697 HD11 LEU 89 1HD1 LEU 89 -17.447 4.990 6.059 698 HD12 LEU 89 2HD1 LEU 89 -16.993 4.038 7.469 699 HD13 LEU 89 3HD1 LEU 89 -18.657 4.589 7.275 700 HD21 LEU 89 3HD2 LEU 89 -16.118 2.235 5.796 701 HD22 LEU 89 1HD2 LEU 89 -16.629 3.326 4.506 702 HD23 LEU 89 2HD2 LEU 89 -17.229 1.669 4.548 Start of MODEL 10 1 H1 MET 1 1H MET 1 -3.448 -15.544 2.518 2 H2 MET 1 2H MET 1 -4.489 -16.005 1.269 3 H3 MET 1 3H MET 1 -4.181 -17.061 2.540 4 HA MET 1 HA MET 1 -5.300 -15.695 4.071 5 HB2 MET 1 1HB MET 1 -5.640 -13.867 1.693 6 HB3 MET 1 2HB MET 1 -6.651 -13.751 3.121 7 HG2 MET 1 1HG MET 1 -3.652 -13.466 3.103 8 HG3 MET 1 2HG MET 1 -4.798 -12.125 3.101 9 HE1 MET 1 3HE MET 1 -7.080 -13.104 5.106 10 HE2 MET 1 1HE MET 1 -6.355 -11.496 5.142 11 HE3 MET 1 2HE MET 1 -6.468 -12.446 6.622 12 H GLU 2 H GLU 2 -7.283 -16.339 4.538 13 HA GLU 2 HA GLU 2 -8.579 -18.146 2.826 14 HB2 GLU 2 1HB GLU 2 -8.668 -18.324 5.266 15 HB3 GLU 2 2HB GLU 2 -9.509 -16.792 5.355 16 HG2 GLU 2 1HG GLU 2 -11.442 -17.761 4.266 17 HG3 GLU 2 2HG GLU 2 -10.594 -19.305 4.115 18 HA PRO 3 HA PRO 3 -11.710 -14.558 1.892 19 HB2 PRO 3 1HB PRO 3 -10.756 -12.013 2.384 20 HB3 PRO 3 2HB PRO 3 -11.866 -12.856 3.462 21 HG2 PRO 3 1HG PRO 3 -8.909 -12.543 3.661 22 HG3 PRO 3 2HG PRO 3 -10.131 -12.478 4.943 23 HD2 PRO 3 1HD PRO 3 -8.605 -14.657 4.542 24 HD3 PRO 3 2HD PRO 3 -10.294 -14.776 5.083 25 HA PRO 4 HA PRO 4 -9.053 -14.597 -1.713 26 HB2 PRO 4 1HB PRO 4 -11.346 -13.134 -2.920 27 HB3 PRO 4 2HB PRO 4 -10.496 -14.569 -3.494 28 HG2 PRO 4 1HG PRO 4 -12.912 -14.762 -2.348 29 HG3 PRO 4 2HG PRO 4 -11.651 -15.985 -2.109 30 HD2 PRO 4 1HD PRO 4 -12.614 -13.874 -0.243 31 HD3 PRO 4 2HD PRO 4 -12.027 -15.516 0.097 32 HA PRO 5 HA PRO 5 -8.855 -9.894 -2.529 33 HB2 PRO 5 1HB PRO 5 -10.137 -8.127 -0.969 34 HB3 PRO 5 2HB PRO 5 -10.880 -8.861 -2.394 35 HG2 PRO 5 1HG PRO 5 -11.190 -9.607 0.483 36 HG3 PRO 5 2HG PRO 5 -12.433 -9.443 -0.772 37 HD2 PRO 5 1HD PRO 5 -11.403 -11.832 -0.014 38 HD3 PRO 5 2HD PRO 5 -11.971 -11.507 -1.665 39 H LYS 6 H LYS 6 -6.885 -9.986 -1.921 40 HA LYS 6 HA LYS 6 -6.214 -8.908 0.685 41 HB2 LYS 6 1HB LYS 6 -3.885 -10.132 0.128 42 HB3 LYS 6 2HB LYS 6 -5.157 -10.905 1.044 43 HG2 LYS 6 1HG LYS 6 -4.187 -12.440 -0.569 44 HG3 LYS 6 2HG LYS 6 -5.867 -12.119 -0.960 45 HD2 LYS 6 1HD LYS 6 -5.158 -10.598 -2.749 46 HD3 LYS 6 2HD LYS 6 -3.467 -10.881 -2.321 47 HE2 LYS 6 1HE LYS 6 -3.667 -13.220 -2.867 48 HE3 LYS 6 2HE LYS 6 -5.388 -13.054 -3.148 49 HZ1 LYS 6 3HZ LYS 6 -4.104 -13.156 -5.177 50 HZ2 LYS 6 1HZ LYS 6 -3.276 -11.739 -4.816 51 HZ3 LYS 6 2HZ LYS 6 -4.961 -11.745 -5.092 52 H LEU 7 H LEU 7 -4.382 -7.549 0.750 53 HA LEU 7 HA LEU 7 -4.633 -5.815 -1.525 54 HB2 LEU 7 1HB LEU 7 -3.259 -5.403 1.127 55 HB3 LEU 7 2HB LEU 7 -3.311 -4.202 -0.142 56 HG LEU 7 HG LEU 7 -4.897 -3.599 1.492 57 HD11 LEU 7 1HD1 LEU 7 -6.366 -4.781 -0.839 58 HD12 LEU 7 2HD1 LEU 7 -5.637 -3.175 -0.732 59 HD13 LEU 7 3HD1 LEU 7 -7.014 -3.587 0.284 60 HD21 LEU 7 3HD2 LEU 7 -6.086 -6.359 1.275 61 HD22 LEU 7 1HD2 LEU 7 -6.783 -5.018 2.183 62 HD23 LEU 7 2HD2 LEU 7 -5.222 -5.683 2.659 63 H VAL 8 H VAL 8 -3.549 -6.537 -3.141 64 HA VAL 8 HA VAL 8 -0.772 -7.333 -2.886 65 HB VAL 8 HB VAL 8 -2.471 -7.102 -5.387 66 HG11 VAL 8 1HG1 VAL 8 0.139 -8.542 -4.918 67 HG12 VAL 8 2HG1 VAL 8 -0.084 -7.073 -5.862 68 HG13 VAL 8 3HG1 VAL 8 -0.805 -8.589 -6.406 69 HG21 VAL 8 3HG2 VAL 8 -2.769 -9.519 -5.246 70 HG22 VAL 8 1HG2 VAL 8 -3.443 -8.714 -3.832 71 HG23 VAL 8 2HG2 VAL 8 -1.892 -9.546 -3.713 72 H LEU 9 H LEU 9 0.719 -5.864 -2.938 73 HA LEU 9 HA LEU 9 0.279 -3.347 -4.402 74 HB2 LEU 9 1HB LEU 9 2.130 -3.907 -2.083 75 HB3 LEU 9 2HB LEU 9 1.970 -2.375 -2.910 76 HG LEU 9 HG LEU 9 -0.160 -3.707 -1.233 77 HD11 LEU 9 1HD1 LEU 9 1.673 -2.835 0.096 78 HD12 LEU 9 2HD1 LEU 9 0.230 -1.839 0.299 79 HD13 LEU 9 3HD1 LEU 9 1.552 -1.281 -0.726 80 HD21 LEU 9 3HD2 LEU 9 -1.160 -2.432 -3.041 81 HD22 LEU 9 1HD2 LEU 9 -0.129 -1.054 -2.656 82 HD23 LEU 9 2HD2 LEU 9 -1.366 -1.577 -1.511 83 H ASP 10 H ASP 10 1.519 -3.103 -6.120 84 HA ASP 10 HA ASP 10 3.688 -4.958 -6.647 85 HB2 ASP 10 1HB ASP 10 2.137 -4.083 -8.452 86 HB3 ASP 10 2HB ASP 10 2.900 -2.511 -8.248 87 H LEU 11 H LEU 11 5.682 -4.613 -5.877 88 HA LEU 11 HA LEU 11 6.232 -2.143 -4.525 89 HB2 LEU 11 1HB LEU 11 7.985 -4.554 -4.893 90 HB3 LEU 11 2HB LEU 11 8.285 -3.222 -3.796 91 HG LEU 11 HG LEU 11 6.083 -5.270 -3.613 92 HD11 LEU 11 1HD1 LEU 11 7.181 -5.865 -1.521 93 HD12 LEU 11 2HD1 LEU 11 8.439 -4.674 -1.843 94 HD13 LEU 11 3HD1 LEU 11 8.249 -6.066 -2.910 95 HD21 LEU 11 3HD2 LEU 11 5.451 -4.139 -1.516 96 HD22 LEU 11 1HD2 LEU 11 5.196 -3.114 -2.929 97 HD23 LEU 11 2HD2 LEU 11 6.592 -2.847 -1.887 98 H GLU 12 H GLU 12 7.031 -3.556 -7.538 99 HA GLU 12 HA GLU 12 9.377 -1.986 -7.988 100 HB2 GLU 12 1HB GLU 12 7.621 -3.521 -9.914 101 HB3 GLU 12 2HB GLU 12 9.196 -2.843 -10.308 102 HG2 GLU 12 1HG GLU 12 8.733 -4.923 -8.181 103 HG3 GLU 12 2HG GLU 12 9.187 -5.296 -9.839 104 H ARG 13 H ARG 13 5.997 -1.880 -9.006 105 HA ARG 13 HA ARG 13 6.232 0.588 -10.385 106 HB2 ARG 13 1HB ARG 13 4.384 -1.063 -10.764 107 HB3 ARG 13 2HB ARG 13 3.747 -0.667 -9.180 108 HG2 ARG 13 1HG ARG 13 2.492 0.466 -10.933 109 HG3 ARG 13 2HG ARG 13 3.341 1.639 -9.925 110 HD2 ARG 13 1HD ARG 13 3.532 2.217 -12.292 111 HD3 ARG 13 2HD ARG 13 5.111 1.809 -11.630 112 HE ARG 13 HE ARG 13 3.488 -0.106 -13.141 113 HH11 ARG 13 1HH1 ARG 13 6.640 1.494 -12.622 114 HH12 ARG 13 2HH1 ARG 13 7.378 0.665 -13.918 115 HH21 ARG 13 1HH2 ARG 13 4.589 -1.226 -14.880 116 HH22 ARG 13 2HH2 ARG 13 6.218 -0.868 -15.201 117 H LEU 14 H LEU 14 5.667 -0.332 -7.081 118 HA LEU 14 HA LEU 14 4.812 2.144 -6.044 119 HB2 LEU 14 1HB LEU 14 4.689 -0.027 -4.836 120 HB3 LEU 14 2HB LEU 14 6.433 -0.006 -4.687 121 HG LEU 14 HG LEU 14 6.248 2.049 -3.306 122 HD11 LEU 14 1HD1 LEU 14 3.293 1.486 -3.437 123 HD12 LEU 14 2HD1 LEU 14 4.123 2.887 -4.116 124 HD13 LEU 14 3HD1 LEU 14 4.080 2.649 -2.372 125 HD21 LEU 14 3HD2 LEU 14 5.474 0.910 -1.308 126 HD22 LEU 14 1HD2 LEU 14 6.458 -0.165 -2.295 127 HD23 LEU 14 2HD2 LEU 14 4.702 -0.337 -2.290 128 H ALA 15 H ALA 15 7.953 0.900 -6.882 129 HA ALA 15 HA ALA 15 9.344 3.123 -5.673 130 HB1 ALA 15 3HB ALA 15 10.348 0.978 -7.546 131 HB2 ALA 15 1HB ALA 15 10.395 0.906 -5.786 132 HB3 ALA 15 2HB ALA 15 11.348 2.118 -6.644 133 H THR 16 H THR 16 7.531 2.730 -8.419 134 HA THR 16 HA THR 16 9.139 4.478 -10.115 135 HB THR 16 HB THR 16 6.455 3.212 -10.705 136 HG1 THR 16 HG1 THR 16 8.823 2.077 -10.339 137 HG21 THR 16 3HG2 THR 16 7.142 3.477 -13.049 138 HG22 THR 16 1HG2 THR 16 8.655 4.218 -12.525 139 HG23 THR 16 2HG2 THR 16 7.121 5.032 -12.220 140 H VAL 17 H VAL 17 6.494 4.555 -7.921 141 HA VAL 17 HA VAL 17 5.584 7.079 -8.974 142 HB VAL 17 HB VAL 17 3.822 5.459 -8.404 143 HG11 VAL 17 1HG1 VAL 17 4.898 4.182 -6.691 144 HG12 VAL 17 2HG1 VAL 17 3.348 4.787 -6.100 145 HG13 VAL 17 3HG1 VAL 17 4.848 5.555 -5.589 146 HG21 VAL 17 3HG2 VAL 17 2.421 6.837 -6.892 147 HG22 VAL 17 1HG2 VAL 17 3.200 7.772 -8.169 148 HG23 VAL 17 2HG2 VAL 17 3.843 7.815 -6.530 149 HA PRO 18 HA PRO 18 8.005 10.027 -6.780 150 HB2 PRO 18 1HB PRO 18 5.302 10.551 -5.624 151 HB3 PRO 18 2HB PRO 18 6.552 11.707 -6.106 152 HG2 PRO 18 1HG PRO 18 4.495 10.952 -7.738 153 HG3 PRO 18 2HG PRO 18 6.070 11.512 -8.330 154 HD2 PRO 18 1HD PRO 18 4.895 8.919 -8.613 155 HD3 PRO 18 2HD PRO 18 6.498 9.445 -9.160 156 H ALA 19 H ALA 19 9.336 9.390 -5.308 157 HA ALA 19 HA ALA 19 8.812 7.757 -3.096 158 HB1 ALA 19 3HB ALA 19 11.150 9.608 -3.534 159 HB2 ALA 19 1HB ALA 19 11.026 7.955 -4.127 160 HB3 ALA 19 2HB ALA 19 11.092 8.267 -2.392 161 H GLU 20 H GLU 20 8.507 11.190 -3.470 162 HA GLU 20 HA GLU 20 8.554 11.636 -0.645 163 HB2 GLU 20 1HB GLU 20 7.552 13.940 -1.223 164 HB3 GLU 20 2HB GLU 20 9.191 13.596 -1.736 165 HG2 GLU 20 1HG GLU 20 6.814 13.298 -3.547 166 HG3 GLU 20 2HG GLU 20 7.692 14.818 -3.362 167 H LYS 21 H LYS 21 6.272 10.353 -2.649 168 HA LYS 21 HA LYS 21 4.195 10.916 -0.650 169 HB2 LYS 21 1HB LYS 21 3.854 9.922 -3.491 170 HB3 LYS 21 2HB LYS 21 2.553 10.102 -2.324 171 HG2 LYS 21 1HG LYS 21 3.045 12.529 -2.219 172 HG3 LYS 21 2HG LYS 21 4.251 12.303 -3.483 173 HD2 LYS 21 1HD LYS 21 2.158 13.118 -4.444 174 HD3 LYS 21 2HD LYS 21 2.478 11.476 -4.996 175 HE2 LYS 21 1HE LYS 21 0.875 10.585 -3.421 176 HE3 LYS 21 2HE LYS 21 0.653 12.172 -2.687 177 HZ1 LYS 21 3HZ LYS 21 -0.074 11.474 -5.495 178 HZ2 LYS 21 1HZ LYS 21 -0.320 12.946 -4.723 179 HZ3 LYS 21 2HZ LYS 21 -1.148 11.562 -4.210 180 H ALA 22 H ALA 22 5.631 8.322 -2.590 181 HA ALA 22 HA ALA 22 4.198 6.312 -1.040 182 HB1 ALA 22 3HB ALA 22 5.019 4.750 -2.672 183 HB2 ALA 22 1HB ALA 22 6.050 5.993 -3.382 184 HB3 ALA 22 2HB ALA 22 4.292 6.143 -3.476 185 H GLY 23 H GLY 23 7.168 7.876 -0.809 186 HA2 GLY 23 1HA GLY 23 9.107 6.045 -0.278 187 HA3 GLY 23 2HA GLY 23 8.964 7.565 0.574 188 HA PRO 24 HA PRO 24 7.828 5.712 4.510 189 HB2 PRO 24 1HB PRO 24 5.004 5.918 4.538 190 HB3 PRO 24 2HB PRO 24 6.152 7.024 5.304 191 HG2 PRO 24 1HG PRO 24 4.743 7.245 2.694 192 HG3 PRO 24 2HG PRO 24 5.268 8.524 3.804 193 HD2 PRO 24 1HD PRO 24 6.568 8.065 1.523 194 HD3 PRO 24 2HD PRO 24 7.453 8.479 3.008 195 H LEU 25 H LEU 25 5.493 4.891 1.989 196 HA LEU 25 HA LEU 25 4.846 2.357 3.114 197 HB2 LEU 25 1HB LEU 25 3.209 3.525 1.799 198 HB3 LEU 25 2HB LEU 25 4.275 3.553 0.416 199 HG LEU 25 HG LEU 25 4.063 1.124 0.176 200 HD11 LEU 25 1HD1 LEU 25 2.211 1.312 2.538 201 HD12 LEU 25 2HD1 LEU 25 3.778 0.495 2.496 202 HD13 LEU 25 3HD1 LEU 25 2.437 -0.116 1.528 203 HD21 LEU 25 3HD2 LEU 25 2.473 2.574 -0.960 204 HD22 LEU 25 1HD2 LEU 25 1.410 2.510 0.444 205 HD23 LEU 25 2HD2 LEU 25 1.733 1.047 -0.488 206 H GLN 26 H GLN 26 6.939 3.478 0.511 207 HA GLN 26 HA GLN 26 7.800 1.031 -0.522 208 HB2 GLN 26 1HB GLN 26 9.442 3.552 -0.113 209 HB3 GLN 26 2HB GLN 26 9.904 2.218 -1.155 210 HG2 GLN 26 1HG GLN 26 8.061 2.658 -2.622 211 HG3 GLN 26 2HG GLN 26 7.427 3.893 -1.530 212 HE21 GLN 26 2HE2 GLN 26 8.123 4.209 -4.305 213 HE22 GLN 26 1HE2 GLN 26 9.380 5.386 -4.360 214 H ARG 27 H ARG 27 8.943 2.844 2.250 215 HA ARG 27 HA ARG 27 11.027 1.075 3.054 216 HB2 ARG 27 1HB ARG 27 9.370 2.904 4.749 217 HB3 ARG 27 2HB ARG 27 10.916 2.218 5.208 218 HG2 ARG 27 1HG ARG 27 12.004 3.504 3.411 219 HG3 ARG 27 2HG ARG 27 10.440 4.201 2.986 220 HD2 ARG 27 1HD ARG 27 11.931 4.538 5.588 221 HD3 ARG 27 2HD ARG 27 11.661 5.766 4.356 222 HE ARG 27 HE ARG 27 9.344 4.545 5.653 223 HH11 ARG 27 1HH1 ARG 27 11.399 7.408 5.265 224 HH12 ARG 27 2HH1 ARG 27 10.304 8.463 6.014 225 HH21 ARG 27 1HH2 ARG 27 7.859 6.037 6.756 226 HH22 ARG 27 2HH2 ARG 27 8.290 7.670 6.876 227 H TYR 28 H TYR 28 7.709 1.556 4.206 228 HA TYR 28 HA TYR 28 7.583 -0.360 6.194 229 HB2 TYR 28 1HB TYR 28 5.844 1.360 5.797 230 HB3 TYR 28 2HB TYR 28 5.347 0.512 4.343 231 HD1 TYR 28 HD2 TYR 28 5.532 0.215 8.035 232 HD2 TYR 28 HD1 TYR 28 3.773 -1.274 4.465 233 HE1 TYR 28 HE2 TYR 28 3.953 -1.097 9.375 234 HE2 TYR 28 HE1 TYR 28 2.185 -2.599 5.800 235 HH TYR 28 HH TYR 28 1.977 -3.534 8.004 236 H ALA 29 H ALA 29 6.865 -0.704 2.771 237 HA ALA 29 HA ALA 29 5.988 -3.338 2.726 238 HB1 ALA 29 3HB ALA 29 5.818 -1.805 0.828 239 HB2 ALA 29 1HB ALA 29 6.583 -3.325 0.367 240 HB3 ALA 29 2HB ALA 29 7.568 -1.884 0.616 241 H ALA 30 H ALA 30 9.296 -2.094 2.351 242 HA ALA 30 HA ALA 30 10.503 -4.640 1.981 243 HB1 ALA 30 3HB ALA 30 11.581 -2.551 1.272 244 HB2 ALA 30 1HB ALA 30 12.621 -3.469 2.364 245 HB3 ALA 30 2HB ALA 30 11.740 -2.062 2.961 246 H THR 31 H THR 31 9.829 -2.646 4.724 247 HA THR 31 HA THR 31 11.240 -4.057 6.704 248 HB THR 31 HB THR 31 8.679 -2.455 7.009 249 HG1 THR 31 HG1 THR 31 10.345 -1.246 5.971 250 HG21 THR 31 3HG2 THR 31 10.900 -3.038 8.978 251 HG22 THR 31 1HG2 THR 31 9.293 -3.768 9.004 252 HG23 THR 31 2HG2 THR 31 9.480 -2.035 9.284 253 H ILE 32 H ILE 32 7.860 -4.280 5.591 254 HA ILE 32 HA ILE 32 7.108 -6.357 7.339 255 HB ILE 32 HB ILE 32 5.888 -5.469 4.713 256 HG12 ILE 32 1HG1 ILE 32 5.782 -3.797 6.464 257 HG13 ILE 32 2HG1 ILE 32 4.176 -4.437 6.146 258 HG21 ILE 32 1HG2 ILE 32 5.254 -7.796 5.085 259 HG22 ILE 32 2HG2 ILE 32 3.869 -6.731 5.316 260 HG23 ILE 32 3HG2 ILE 32 4.710 -7.399 6.715 261 HD11 ILE 32 3HD1 ILE 32 5.952 -5.124 8.492 262 HD12 ILE 32 1HD1 ILE 32 4.378 -5.855 8.156 263 HD13 ILE 32 2HD1 ILE 32 4.491 -4.138 8.508 264 H GLN 33 H GLN 33 8.420 -6.434 4.056 265 HA GLN 33 HA GLN 33 8.107 -9.214 3.822 266 HB2 GLN 33 1HB GLN 33 10.023 -7.387 2.375 267 HB3 GLN 33 2HB GLN 33 9.805 -9.091 1.990 268 HG2 GLN 33 1HG GLN 33 7.311 -8.487 1.792 269 HG3 GLN 33 2HG GLN 33 7.886 -6.830 1.656 270 HE21 GLN 33 2HE2 GLN 33 6.495 -8.510 -0.210 271 HE22 GLN 33 1HE2 GLN 33 7.410 -8.555 -1.647 272 H SER 34 H SER 34 10.691 -7.291 5.125 273 HA SER 34 HA SER 34 12.478 -9.401 5.600 274 HB2 SER 34 1HB SER 34 12.148 -6.780 7.084 275 HB3 SER 34 2HB SER 34 13.583 -7.810 7.116 276 HG SER 34 HG SER 34 12.559 -6.237 5.001 277 H GLN 35 H GLN 35 9.943 -7.926 7.618 278 HA GLN 35 HA GLN 35 10.343 -9.519 9.894 279 HB2 GLN 35 1HB GLN 35 7.951 -7.967 8.953 280 HB3 GLN 35 2HB GLN 35 7.944 -8.861 10.466 281 HG2 GLN 35 1HG GLN 35 9.847 -7.546 11.246 282 HG3 GLN 35 2HG GLN 35 9.841 -6.659 9.725 283 HE21 GLN 35 2HE2 GLN 35 9.579 -4.761 10.863 284 HE22 GLN 35 1HE2 GLN 35 8.055 -4.285 11.542 285 H ARG 36 H ARG 36 8.364 -10.098 7.069 286 HA ARG 36 HA ARG 36 7.140 -12.464 8.194 287 HB2 ARG 36 1HB ARG 36 7.337 -11.629 5.302 288 HB3 ARG 36 2HB ARG 36 6.330 -12.921 5.924 289 HG2 ARG 36 1HG ARG 36 4.976 -11.316 7.133 290 HG3 ARG 36 2HG ARG 36 6.036 -9.999 6.607 291 HD2 ARG 36 1HD ARG 36 4.317 -11.764 4.865 292 HD3 ARG 36 2HD ARG 36 4.127 -10.027 5.148 293 HE ARG 36 HE ARG 36 6.441 -9.898 4.157 294 HH11 ARG 36 1HH1 ARG 36 3.851 -12.008 2.974 295 HH12 ARG 36 2HH1 ARG 36 4.626 -12.425 1.533 296 HH21 ARG 36 1HH2 ARG 36 7.567 -10.540 2.078 297 HH22 ARG 36 2HH2 ARG 36 6.801 -11.637 1.068 298 H GLY 37 H GLY 37 10.146 -11.777 6.784 299 HA2 GLY 37 1HA GLY 37 11.961 -13.169 6.437 300 HA3 GLY 37 2HA GLY 37 10.954 -14.530 6.919 301 H ASP 38 H ASP 38 10.119 -12.255 4.429 302 HA ASP 38 HA ASP 38 10.778 -14.127 2.303 303 HB2 ASP 38 1HB ASP 38 8.504 -14.805 2.816 304 HB3 ASP 38 2HB ASP 38 7.966 -13.129 2.821 305 H TYR 39 H TYR 39 12.111 -12.784 1.286 306 HA TYR 39 HA TYR 39 11.193 -10.064 0.813 307 HB2 TYR 39 1HB TYR 39 13.519 -10.376 1.738 308 HB3 TYR 39 2HB TYR 39 13.938 -11.227 0.259 309 HD1 TYR 39 HD2 TYR 39 12.758 -7.944 1.539 310 HD2 TYR 39 HD1 TYR 39 14.689 -10.021 -1.638 311 HE1 TYR 39 HE2 TYR 39 13.343 -5.794 0.493 312 HE2 TYR 39 HE1 TYR 39 15.280 -7.880 -2.689 313 HH TYR 39 HH TYR 39 15.015 -4.928 -1.045 314 H ASN 40 H ASN 40 9.645 -10.656 -0.601 315 HA ASN 40 HA ASN 40 10.159 -12.108 -2.978 316 HB2 ASN 40 1HB ASN 40 7.893 -11.973 -2.078 317 HB3 ASN 40 2HB ASN 40 7.895 -10.228 -2.284 318 HD21 ASN 40 2HD2 ASN 40 7.771 -13.289 -3.933 319 HD22 ASN 40 1HD2 ASN 40 7.175 -12.659 -5.436 320 H GLY 41 H GLY 41 9.901 -8.650 -2.252 321 HA2 GLY 41 1HA GLY 41 11.031 -6.899 -3.223 322 HA3 GLY 41 2HA GLY 41 11.831 -8.046 -4.278 323 H LYS 42 H LYS 42 9.124 -9.014 -5.230 324 HA LYS 42 HA LYS 42 8.866 -7.072 -7.380 325 HB2 LYS 42 1HB LYS 42 7.387 -9.662 -6.931 326 HB3 LYS 42 2HB LYS 42 7.400 -8.715 -8.400 327 HG2 LYS 42 1HG LYS 42 9.802 -10.094 -7.222 328 HG3 LYS 42 2HG LYS 42 8.766 -10.736 -8.498 329 HD2 LYS 42 1HD LYS 42 9.346 -8.829 -9.916 330 HD3 LYS 42 2HD LYS 42 10.417 -8.224 -8.646 331 HE2 LYS 42 1HE LYS 42 11.691 -9.468 -10.330 332 HE3 LYS 42 2HE LYS 42 11.718 -10.284 -8.774 333 HZ1 LYS 42 3HZ LYS 42 9.971 -11.033 -11.059 334 HZ2 LYS 42 1HZ LYS 42 10.019 -11.813 -9.556 335 HZ3 LYS 42 2HZ LYS 42 11.357 -11.839 -10.547 336 H VAL 43 H VAL 43 6.648 -8.806 -5.224 337 HA VAL 43 HA VAL 43 4.886 -6.476 -5.148 338 HB VAL 43 HB VAL 43 2.910 -7.966 -5.285 339 HG11 VAL 43 1HG1 VAL 43 3.629 -6.875 -7.327 340 HG12 VAL 43 2HG1 VAL 43 2.990 -8.480 -7.680 341 HG13 VAL 43 3HG1 VAL 43 4.731 -8.206 -7.666 342 HG21 VAL 43 3HG2 VAL 43 3.909 -10.054 -4.505 343 HG22 VAL 43 1HG2 VAL 43 4.893 -10.139 -5.966 344 HG23 VAL 43 2HG2 VAL 43 3.142 -10.290 -6.075 345 H LEU 44 H LEU 44 3.303 -6.728 -3.394 346 HA LEU 44 HA LEU 44 4.153 -8.437 -1.172 347 HB2 LEU 44 1HB LEU 44 5.050 -6.187 -0.758 348 HB3 LEU 44 2HB LEU 44 3.475 -5.484 -1.053 349 HG LEU 44 HG LEU 44 2.626 -6.637 0.978 350 HD11 LEU 44 1HD1 LEU 44 5.512 -7.374 1.401 351 HD12 LEU 44 2HD1 LEU 44 4.185 -8.489 1.082 352 HD13 LEU 44 3HD1 LEU 44 4.218 -7.565 2.584 353 HD21 LEU 44 3HD2 LEU 44 3.354 -4.320 1.083 354 HD22 LEU 44 1HD2 LEU 44 5.008 -4.841 1.393 355 HD23 LEU 44 2HD2 LEU 44 3.745 -5.159 2.584 356 H SER 45 H SER 45 2.339 -9.037 0.169 357 HA SER 45 HA SER 45 -0.253 -8.074 -0.679 358 HB2 SER 45 1HB SER 45 0.490 -11.004 -0.426 359 HB3 SER 45 2HB SER 45 -1.126 -10.374 -0.771 360 HG SER 45 HG SER 45 0.577 -9.278 -2.465 361 H ILE 46 H ILE 46 -1.041 -7.238 1.110 362 HA ILE 46 HA ILE 46 -0.508 -8.676 3.599 363 HB ILE 46 HB ILE 46 -0.721 -6.658 4.924 364 HG12 ILE 46 1HG1 ILE 46 -2.200 -5.325 3.356 365 HG13 ILE 46 2HG1 ILE 46 -0.901 -4.407 4.087 366 HG21 ILE 46 1HG2 ILE 46 1.477 -7.294 4.323 367 HG22 ILE 46 2HG2 ILE 46 1.371 -5.536 4.359 368 HG23 ILE 46 3HG2 ILE 46 1.380 -6.388 2.812 369 HD11 ILE 46 3HD1 ILE 46 -1.243 -3.789 1.786 370 HD12 ILE 46 1HD1 ILE 46 -0.975 -5.447 1.253 371 HD13 ILE 46 2HD1 ILE 46 0.346 -4.529 1.977 372 H ARG 47 H ARG 47 -2.165 -7.863 5.342 373 HA ARG 47 HA ARG 47 -4.647 -8.961 4.404 374 HB2 ARG 47 1HB ARG 47 -3.658 -8.150 7.105 375 HB3 ARG 47 2HB ARG 47 -5.150 -9.025 6.780 376 HG2 ARG 47 1HG ARG 47 -3.985 -10.913 5.969 377 HG3 ARG 47 2HG ARG 47 -2.459 -10.031 5.922 378 HD2 ARG 47 1HD ARG 47 -4.075 -10.579 8.321 379 HD3 ARG 47 2HD ARG 47 -2.665 -11.559 7.829 380 HE ARG 47 HE ARG 47 -2.157 -8.714 8.086 381 HH11 ARG 47 1HH1 ARG 47 -1.899 -11.830 9.766 382 HH12 ARG 47 2HH1 ARG 47 -0.882 -11.218 10.979 383 HH21 ARG 47 1HH2 ARG 47 -0.810 -7.895 9.745 384 HH22 ARG 47 2HH2 ARG 47 -0.251 -8.925 10.993 385 H GLN 48 H GLN 48 -6.668 -7.904 5.176 386 HA GLN 48 HA GLN 48 -6.899 -5.217 4.310 387 HB2 GLN 48 1HB GLN 48 -8.807 -6.959 5.905 388 HB3 GLN 48 2HB GLN 48 -9.233 -5.433 5.148 389 HG2 GLN 48 1HG GLN 48 -8.963 -6.299 2.975 390 HG3 GLN 48 2HG GLN 48 -8.130 -7.732 3.566 391 HE21 GLN 48 2HE2 GLN 48 -9.570 -9.046 2.444 392 HE22 GLN 48 1HE2 GLN 48 -11.181 -9.319 2.988 393 H ASP 49 H ASP 49 -6.614 -6.783 7.359 394 HA ASP 49 HA ASP 49 -7.084 -4.674 9.145 395 HB2 ASP 49 1HB ASP 49 -5.255 -7.064 9.452 396 HB3 ASP 49 2HB ASP 49 -5.844 -6.047 10.756 397 H ASP 50 H ASP 50 -4.219 -5.625 7.336 398 HA ASP 50 HA ASP 50 -2.440 -3.990 8.892 399 HB2 ASP 50 1HB ASP 50 -1.985 -5.217 6.165 400 HB3 ASP 50 2HB ASP 50 -0.758 -4.410 7.125 401 H LEU 51 H LEU 51 -4.202 -3.677 5.905 402 HA LEU 51 HA LEU 51 -3.002 -1.295 5.005 403 HB2 LEU 51 1HB LEU 51 -4.511 -2.779 3.666 404 HB3 LEU 51 2HB LEU 51 -5.872 -2.156 4.571 405 HG LEU 51 HG LEU 51 -5.210 0.144 3.723 406 HD11 LEU 51 1HD1 LEU 51 -2.953 -0.332 3.070 407 HD12 LEU 51 2HD1 LEU 51 -3.884 0.210 1.670 408 HD13 LEU 51 3HD1 LEU 51 -3.507 -1.500 1.870 409 HD21 LEU 51 3HD2 LEU 51 -6.286 -0.180 1.553 410 HD22 LEU 51 1HD2 LEU 51 -7.120 -1.065 2.828 411 HD23 LEU 51 2HD2 LEU 51 -6.072 -1.925 1.703 412 H ARG 52 H ARG 52 -5.453 -1.951 7.339 413 HA ARG 52 HA ARG 52 -6.494 0.648 7.698 414 HB2 ARG 52 1HB ARG 52 -6.284 -1.567 9.738 415 HB3 ARG 52 2HB ARG 52 -7.317 -0.151 9.861 416 HG2 ARG 52 1HG ARG 52 -8.607 -0.892 7.949 417 HG3 ARG 52 2HG ARG 52 -7.534 -2.280 7.751 418 HD2 ARG 52 1HD ARG 52 -8.149 -2.981 10.071 419 HD3 ARG 52 2HD ARG 52 -9.348 -1.690 10.069 420 HE ARG 52 HE ARG 52 -10.057 -2.953 7.897 421 HH11 ARG 52 1HH1 ARG 52 -9.282 -4.250 11.112 422 HH12 ARG 52 2HH1 ARG 52 -10.131 -5.701 10.898 423 HH21 ARG 52 1HH2 ARG 52 -11.280 -4.984 7.630 424 HH22 ARG 52 2HH2 ARG 52 -11.290 -6.113 8.905 425 H THR 53 H THR 53 -3.681 -1.044 8.990 426 HA THR 53 HA THR 53 -2.962 0.743 11.027 427 HB THR 53 HB THR 53 -1.142 -1.018 9.353 428 HG1 THR 53 HG1 THR 53 -2.671 -1.696 11.665 429 HG21 THR 53 3HG2 THR 53 0.187 -1.163 11.428 430 HG22 THR 53 1HG2 THR 53 -0.963 -0.101 12.241 431 HG23 THR 53 2HG2 THR 53 0.018 0.510 10.907 432 H LEU 54 H LEU 54 -2.219 0.519 7.576 433 HA LEU 54 HA LEU 54 -0.273 2.540 7.423 434 HB2 LEU 54 1HB LEU 54 -2.145 1.404 5.375 435 HB3 LEU 54 2HB LEU 54 -1.135 2.772 4.980 436 HG LEU 54 HG LEU 54 0.875 1.403 5.436 437 HD11 LEU 54 1HD1 LEU 54 0.689 -1.004 5.665 438 HD12 LEU 54 2HD1 LEU 54 -1.067 -0.867 5.772 439 HD13 LEU 54 3HD1 LEU 54 -0.049 -0.169 7.030 440 HD21 LEU 54 3HD2 LEU 54 0.706 -0.000 3.469 441 HD22 LEU 54 1HD2 LEU 54 0.016 1.597 3.186 442 HD23 LEU 54 2HD2 LEU 54 -1.044 0.210 3.456 443 H ALA 55 H ALA 55 -3.740 2.675 7.224 444 HA ALA 55 HA ALA 55 -3.972 5.384 6.523 445 HB1 ALA 55 3HB ALA 55 -5.839 3.830 6.347 446 HB2 ALA 55 1HB ALA 55 -6.278 5.213 7.347 447 HB3 ALA 55 2HB ALA 55 -5.883 3.664 8.101 448 H VAL 56 H VAL 56 -3.331 3.817 9.562 449 HA VAL 56 HA VAL 56 -3.797 6.174 11.146 450 HB VAL 56 HB VAL 56 -2.312 3.628 11.901 451 HG11 VAL 56 1HG1 VAL 56 -2.733 4.284 14.222 452 HG12 VAL 56 2HG1 VAL 56 -3.486 5.777 13.664 453 HG13 VAL 56 3HG1 VAL 56 -1.770 5.496 13.375 454 HG21 VAL 56 3HG2 VAL 56 -4.609 3.138 11.269 455 HG22 VAL 56 1HG2 VAL 56 -5.197 4.381 12.375 456 HG23 VAL 56 2HG2 VAL 56 -4.394 2.945 13.009 457 H ILE 57 H ILE 57 -1.062 4.568 9.631 458 HA ILE 57 HA ILE 57 1.053 6.009 10.827 459 HB ILE 57 HB ILE 57 1.057 5.005 7.957 460 HG12 ILE 57 1HG1 ILE 57 1.816 3.472 10.464 461 HG13 ILE 57 2HG1 ILE 57 0.382 3.195 9.487 462 HG21 ILE 57 1HG2 ILE 57 3.491 4.806 8.299 463 HG22 ILE 57 2HG2 ILE 57 3.309 5.469 9.920 464 HG23 ILE 57 3HG2 ILE 57 2.926 6.463 8.515 465 HD11 ILE 57 3HD1 ILE 57 2.098 1.541 9.022 466 HD12 ILE 57 1HD1 ILE 57 3.231 2.826 8.600 467 HD13 ILE 57 2HD1 ILE 57 1.808 2.550 7.601 468 H TYR 58 H TYR 58 -0.751 6.582 7.843 469 HA TYR 58 HA TYR 58 0.700 9.085 7.421 470 HB2 TYR 58 1HB TYR 58 -1.504 8.058 5.647 471 HB3 TYR 58 2HB TYR 58 -0.156 9.100 5.221 472 HD1 TYR 58 HD2 TYR 58 2.178 7.574 6.237 473 HD2 TYR 58 HD1 TYR 58 -1.348 6.216 4.302 474 HE1 TYR 58 HE2 TYR 58 3.363 5.553 5.479 475 HE2 TYR 58 HE1 TYR 58 -0.161 4.204 3.547 476 HH TYR 58 HH TYR 58 2.032 3.436 3.158 477 H ASP 59 H ASP 59 -1.816 8.160 9.159 478 HA ASP 59 HA ASP 59 -3.744 8.925 9.933 479 HB2 ASP 59 1HB ASP 59 -2.199 10.450 11.114 480 HB3 ASP 59 2HB ASP 59 -2.375 11.626 9.814 481 H GLN 60 H GLN 60 -4.576 8.267 7.981 482 HA GLN 60 HA GLN 60 -6.185 10.384 6.726 483 HB2 GLN 60 1HB GLN 60 -4.711 8.179 5.256 484 HB3 GLN 60 2HB GLN 60 -5.894 9.252 4.525 485 HG2 GLN 60 1HG GLN 60 -4.470 11.152 4.875 486 HG3 GLN 60 2HG GLN 60 -3.337 10.179 5.804 487 HE21 GLN 60 2HE2 GLN 60 -2.926 11.779 3.442 488 HE22 GLN 60 1HE2 GLN 60 -2.268 10.724 2.253 489 H SER 61 H SER 61 -8.019 9.203 5.423 490 HA SER 61 HA SER 61 -9.075 7.154 7.148 491 HB2 SER 61 1HB SER 61 -11.134 7.513 5.749 492 HB3 SER 61 2HB SER 61 -10.557 8.988 6.521 493 HG SER 61 HG SER 61 -10.908 9.564 4.475 494 HA PRO 62 HA PRO 62 -7.792 3.761 4.515 495 HB2 PRO 62 1HB PRO 62 -10.598 2.795 4.904 496 HB3 PRO 62 2HB PRO 62 -9.075 1.916 5.102 497 HG2 PRO 62 1HG PRO 62 -10.348 2.735 7.252 498 HG3 PRO 62 2HG PRO 62 -8.594 2.951 7.138 499 HD2 PRO 62 1HD PRO 62 -10.763 4.980 6.764 500 HD3 PRO 62 2HD PRO 62 -9.197 5.130 7.592 501 H SER 63 H SER 63 -10.887 5.312 3.940 502 HA SER 63 HA SER 63 -11.354 4.410 1.350 503 HB2 SER 63 1HB SER 63 -13.046 5.529 2.760 504 HB3 SER 63 2HB SER 63 -12.161 7.045 2.617 505 HG SER 63 HG SER 63 -13.266 5.558 0.485 506 H VAL 64 H VAL 64 -9.828 7.549 2.377 507 HA VAL 64 HA VAL 64 -9.173 8.173 -0.337 508 HB VAL 64 HB VAL 64 -9.573 9.952 1.407 509 HG11 VAL 64 1HG1 VAL 64 -8.359 9.037 3.273 510 HG12 VAL 64 2HG1 VAL 64 -7.749 10.646 2.878 511 HG13 VAL 64 3HG1 VAL 64 -6.836 9.213 2.397 512 HG21 VAL 64 3HG2 VAL 64 -8.546 10.571 -0.686 513 HG22 VAL 64 1HG2 VAL 64 -6.952 10.124 -0.073 514 HG23 VAL 64 2HG2 VAL 64 -7.812 11.494 0.625 515 H LEU 65 H LEU 65 -7.619 6.524 2.215 516 HA LEU 65 HA LEU 65 -4.972 6.548 1.299 517 HB2 LEU 65 1HB LEU 65 -5.754 5.822 3.562 518 HB3 LEU 65 2HB LEU 65 -6.466 4.405 2.841 519 HG LEU 65 HG LEU 65 -4.302 4.078 4.111 520 HD11 LEU 65 1HD1 LEU 65 -3.337 2.503 2.516 521 HD12 LEU 65 2HD1 LEU 65 -4.343 3.188 1.237 522 HD13 LEU 65 3HD1 LEU 65 -5.094 2.367 2.600 523 HD21 LEU 65 3HD2 LEU 65 -3.180 6.079 3.313 524 HD22 LEU 65 1HD2 LEU 65 -3.125 5.406 1.685 525 HD23 LEU 65 2HD2 LEU 65 -2.225 4.627 2.989 526 H THR 66 H THR 66 -7.638 4.256 0.745 527 HA THR 66 HA THR 66 -6.232 2.596 -1.020 528 HB THR 66 HB THR 66 -9.237 3.028 -0.865 529 HG1 THR 66 HG1 THR 66 -8.551 2.440 1.162 530 HG21 THR 66 3HG2 THR 66 -8.500 1.725 -2.818 531 HG22 THR 66 1HG2 THR 66 -9.350 0.708 -1.652 532 HG23 THR 66 2HG2 THR 66 -7.588 0.658 -1.753 533 H GLU 67 H GLU 67 -8.128 5.523 -1.512 534 HA GLU 67 HA GLU 67 -8.369 5.554 -4.290 535 HB2 GLU 67 1HB GLU 67 -8.096 7.758 -2.264 536 HB3 GLU 67 2HB GLU 67 -8.243 8.108 -3.978 537 HG2 GLU 67 1HG GLU 67 -10.245 6.498 -2.423 538 HG3 GLU 67 2HG GLU 67 -10.368 8.239 -2.687 539 H GLN 68 H GLN 68 -5.765 6.814 -2.249 540 HA GLN 68 HA GLN 68 -4.151 7.732 -4.334 541 HB2 GLN 68 1HB GLN 68 -3.612 6.929 -1.506 542 HB3 GLN 68 2HB GLN 68 -2.308 7.471 -2.564 543 HG2 GLN 68 1HG GLN 68 -4.769 9.052 -1.818 544 HG3 GLN 68 2HG GLN 68 -3.160 9.277 -1.134 545 HE21 GLN 68 2HE2 GLN 68 -5.191 9.774 -3.899 546 HE22 GLN 68 1HE2 GLN 68 -4.111 10.796 -4.759 547 H LEU 69 H LEU 69 -4.053 4.707 -2.524 548 HA LEU 69 HA LEU 69 -1.868 3.543 -3.783 549 HB2 LEU 69 1HB LEU 69 -4.202 2.472 -2.283 550 HB3 LEU 69 2HB LEU 69 -3.186 1.342 -3.144 551 HG LEU 69 HG LEU 69 -2.630 1.524 -0.743 552 HD11 LEU 69 1HD1 LEU 69 -0.243 1.727 -1.011 553 HD12 LEU 69 2HD1 LEU 69 -0.469 2.491 -2.582 554 HD13 LEU 69 3HD1 LEU 69 -0.964 0.815 -2.334 555 HD21 LEU 69 3HD2 LEU 69 -1.472 3.489 0.121 556 HD22 LEU 69 1HD2 LEU 69 -3.102 3.908 -0.402 557 HD23 LEU 69 2HD2 LEU 69 -1.720 4.322 -1.415 558 H ILE 70 H ILE 70 -5.278 3.325 -4.717 559 HA ILE 70 HA ILE 70 -4.722 1.639 -6.935 560 HB ILE 70 HB ILE 70 -7.186 3.244 -6.198 561 HG12 ILE 70 1HG1 ILE 70 -6.618 0.282 -6.115 562 HG13 ILE 70 2HG1 ILE 70 -6.550 1.370 -4.732 563 HG21 ILE 70 1HG2 ILE 70 -6.887 1.219 -8.434 564 HG22 ILE 70 2HG2 ILE 70 -7.123 2.951 -8.649 565 HG23 ILE 70 3HG2 ILE 70 -8.396 1.973 -7.920 566 HD11 ILE 70 3HD1 ILE 70 -8.894 1.811 -4.926 567 HD12 ILE 70 1HD1 ILE 70 -8.614 0.075 -4.832 568 HD13 ILE 70 2HD1 ILE 70 -8.997 0.837 -6.385 569 H SER 71 H SER 71 -5.077 5.127 -6.528 570 HA SER 71 HA SER 71 -4.994 5.748 -9.271 571 HB2 SER 71 1HB SER 71 -4.253 7.408 -6.862 572 HB3 SER 71 2HB SER 71 -4.379 8.044 -8.501 573 HG SER 71 HG SER 71 -6.364 7.149 -6.751 574 H TRP 72 H TRP 72 -2.473 4.934 -7.030 575 HA TRP 72 HA TRP 72 -0.384 5.826 -8.809 576 HB2 TRP 72 1HB TRP 72 -0.205 4.008 -6.400 577 HB3 TRP 72 2HB TRP 72 1.164 4.692 -7.271 578 HD1 TRP 72 HD1 TRP 72 -0.335 7.669 -7.460 579 HE1 TRP 72 HE1 TRP 72 -0.246 9.126 -5.387 580 HE3 TRP 72 HE3 TRP 72 0.693 4.042 -4.055 581 HZ2 TRP 72 HZ2 TRP 72 0.237 8.787 -2.579 582 HZ3 TRP 72 HZ3 TRP 72 0.967 4.678 -1.678 583 HH2 TRP 72 HH2 TRP 72 0.749 7.006 -0.967 584 H GLY 73 H GLY 73 -2.397 3.144 -8.556 585 HA2 GLY 73 1HA GLY 73 -2.633 1.371 -10.021 586 HA3 GLY 73 2HA GLY 73 -1.186 1.917 -10.862 587 H VAL 74 H VAL 74 -0.872 1.575 -7.530 588 HA VAL 74 HA VAL 74 0.777 -0.777 -7.978 589 HB VAL 74 HB VAL 74 1.730 -0.385 -5.752 590 HG11 VAL 74 1HG1 VAL 74 1.625 2.079 -7.474 591 HG12 VAL 74 2HG1 VAL 74 2.769 0.742 -7.607 592 HG13 VAL 74 3HG1 VAL 74 2.794 1.795 -6.190 593 HG21 VAL 74 3HG2 VAL 74 -0.142 1.978 -5.609 594 HG22 VAL 74 1HG2 VAL 74 1.148 1.621 -4.460 595 HG23 VAL 74 2HG2 VAL 74 -0.227 0.525 -4.616 596 H LEU 75 H LEU 75 -2.189 0.181 -6.584 597 HA LEU 75 HA LEU 75 -2.545 -2.487 -5.449 598 HB2 LEU 75 1HB LEU 75 -2.760 -0.673 -3.796 599 HB3 LEU 75 2HB LEU 75 -3.970 0.103 -4.798 600 HG LEU 75 HG LEU 75 -5.484 -1.819 -4.427 601 HD11 LEU 75 1HD1 LEU 75 -3.362 -2.782 -2.517 602 HD12 LEU 75 2HD1 LEU 75 -3.813 -3.547 -4.038 603 HD13 LEU 75 3HD1 LEU 75 -4.974 -3.469 -2.717 604 HD21 LEU 75 3HD2 LEU 75 -6.011 -1.317 -2.093 605 HD22 LEU 75 1HD2 LEU 75 -5.634 0.150 -2.993 606 HD23 LEU 75 2HD2 LEU 75 -4.439 -0.547 -1.900 607 H ASP 76 H ASP 76 -4.509 -3.496 -5.921 608 HA ASP 76 HA ASP 76 -5.360 -3.099 -8.618 609 HB2 ASP 76 1HB ASP 76 -5.081 -5.332 -7.443 610 HB3 ASP 76 2HB ASP 76 -6.567 -4.959 -6.577 611 H ALA 77 H ALA 77 -7.378 -2.483 -9.335 612 HA ALA 77 HA ALA 77 -8.664 -0.479 -7.807 613 HB1 ALA 77 3HB ALA 77 -10.105 -0.177 -9.734 614 HB2 ALA 77 1HB ALA 77 -9.536 -1.700 -10.415 615 HB3 ALA 77 2HB ALA 77 -8.423 -0.344 -10.236 616 H ASP 78 H ASP 78 -9.297 -3.794 -8.231 617 HA ASP 78 HA ASP 78 -12.064 -3.632 -7.358 618 HB2 ASP 78 1HB ASP 78 -11.317 -5.302 -9.060 619 HB3 ASP 78 2HB ASP 78 -10.416 -6.119 -7.788 620 H ALA 79 H ALA 79 -8.981 -4.171 -5.999 621 HA ALA 79 HA ALA 79 -9.442 -5.797 -3.772 622 HB1 ALA 79 3HB ALA 79 -7.221 -5.185 -4.574 623 HB2 ALA 79 1HB ALA 79 -7.389 -4.835 -2.852 624 HB3 ALA 79 2HB ALA 79 -7.481 -3.527 -4.034 625 H ARG 80 H ARG 80 -10.221 -2.544 -4.246 626 HA ARG 80 HA ARG 80 -10.347 -1.575 -1.607 627 HB2 ARG 80 1HB ARG 80 -11.693 0.221 -2.559 628 HB3 ARG 80 2HB ARG 80 -10.235 -0.113 -3.482 629 HG2 ARG 80 1HG ARG 80 -11.637 -1.490 -5.026 630 HG3 ARG 80 2HG ARG 80 -13.051 -0.870 -4.171 631 HD2 ARG 80 1HD ARG 80 -10.940 0.737 -5.517 632 HD3 ARG 80 2HD ARG 80 -12.513 0.389 -6.199 633 HE ARG 80 HE ARG 80 -13.176 1.527 -3.863 634 HH11 ARG 80 1HH1 ARG 80 -11.089 2.703 -6.464 635 HH12 ARG 80 2HH1 ARG 80 -10.973 4.273 -5.781 636 HH21 ARG 80 1HH2 ARG 80 -13.005 3.700 -3.014 637 HH22 ARG 80 2HH2 ARG 80 -12.026 4.824 -3.893 638 H ARG 81 H ARG 81 -12.528 -3.652 -3.333 639 HA ARG 81 HA ARG 81 -14.915 -2.895 -1.987 640 HB2 ARG 81 1HB ARG 81 -14.289 -5.571 -3.250 641 HB3 ARG 81 2HB ARG 81 -15.891 -4.962 -2.855 642 HG2 ARG 81 1HG ARG 81 -15.517 -3.109 -4.467 643 HG3 ARG 81 2HG ARG 81 -13.993 -3.868 -4.921 644 HD2 ARG 81 1HD ARG 81 -15.328 -5.929 -5.494 645 HD3 ARG 81 2HD ARG 81 -16.782 -4.952 -5.281 646 HE ARG 81 HE ARG 81 -14.815 -4.810 -7.386 647 HH11 ARG 81 1HH1 ARG 81 -17.774 -3.385 -5.973 648 HH12 ARG 81 2HH1 ARG 81 -18.092 -2.393 -7.316 649 HH21 ARG 81 1HH2 ARG 81 -15.320 -3.350 -9.251 650 HH22 ARG 81 2HH2 ARG 81 -16.708 -2.372 -9.155 651 H ALA 82 H ALA 82 -12.224 -4.729 -1.044 652 HA ALA 82 HA ALA 82 -13.611 -6.058 1.138 653 HB1 ALA 82 3HB ALA 82 -10.707 -6.013 0.375 654 HB2 ALA 82 1HB ALA 82 -11.884 -7.243 -0.078 655 HB3 ALA 82 2HB ALA 82 -11.442 -7.034 1.615 656 H VAL 83 H VAL 83 -12.061 -3.124 0.528 657 HA VAL 83 HA VAL 83 -11.138 -2.733 3.259 658 HB VAL 83 HB VAL 83 -11.164 -0.762 0.950 659 HG11 VAL 83 1HG1 VAL 83 -9.433 0.427 2.222 660 HG12 VAL 83 2HG1 VAL 83 -9.591 -0.747 3.527 661 HG13 VAL 83 3HG1 VAL 83 -10.943 0.309 3.126 662 HG21 VAL 83 3HG2 VAL 83 -8.802 -1.336 0.611 663 HG22 VAL 83 1HG2 VAL 83 -9.855 -2.726 0.348 664 HG23 VAL 83 2HG2 VAL 83 -8.936 -2.590 1.846 665 H ALA 84 H ALA 84 -13.595 -1.712 1.031 666 HA ALA 84 HA ALA 84 -14.790 0.290 2.682 667 HB1 ALA 84 3HB ALA 84 -16.449 0.432 0.918 668 HB2 ALA 84 1HB ALA 84 -15.847 -1.068 0.208 669 HB3 ALA 84 2HB ALA 84 -14.825 0.373 0.236 670 H SER 85 H SER 85 -14.642 -2.437 3.851 671 HA SER 85 HA SER 85 -17.370 -3.357 4.068 672 HB2 SER 85 1HB SER 85 -14.912 -4.128 5.664 673 HB3 SER 85 2HB SER 85 -16.428 -5.029 5.575 674 HG SER 85 HG SER 85 -15.932 -4.883 3.173 675 H HIS 86 H HIS 86 -15.547 -0.910 5.341 676 HA HIS 86 HA HIS 86 -17.445 -0.443 7.519 677 HB2 HIS 86 1HB HIS 86 -14.475 0.183 7.438 678 HB3 HIS 86 2HB HIS 86 -15.573 0.904 8.602 679 HD1 HIS 86 HD1 HIS 86 -15.977 -0.404 10.703 680 HD2 HIS 86 HD2 HIS 86 -14.106 -2.653 7.756 681 HE1 HIS 86 HE1 HIS 86 -15.300 -2.573 11.810 682 H ASP 87 H ASP 87 -18.520 1.388 7.194 683 HA ASP 87 HA ASP 87 -17.740 3.033 4.929 684 HB2 ASP 87 1HB ASP 87 -20.256 2.974 6.584 685 HB3 ASP 87 2HB ASP 87 -19.938 4.241 5.413 686 H GLU 88 H GLU 88 -18.398 3.382 8.354 687 HA GLU 88 HA GLU 88 -17.814 4.831 9.930 688 HB2 GLU 88 1HB GLU 88 -15.798 5.958 7.948 689 HB3 GLU 88 2HB GLU 88 -15.828 6.316 9.668 690 HG2 GLU 88 1HG GLU 88 -15.444 3.919 10.143 691 HG3 GLU 88 2HG GLU 88 -15.336 3.624 8.412 692 H LEU 89 H LEU 89 -18.201 6.412 6.821 693 HA LEU 89 HA LEU 89 -20.434 7.829 7.786 694 HB2 LEU 89 1HB LEU 89 -19.720 10.104 7.071 695 HB3 LEU 89 2HB LEU 89 -18.803 9.524 8.430 696 HG LEU 89 HG LEU 89 -17.737 9.534 5.590 697 HD11 LEU 89 1HD1 LEU 89 -17.364 11.578 7.783 698 HD12 LEU 89 2HD1 LEU 89 -18.278 11.809 6.294 699 HD13 LEU 89 3HD1 LEU 89 -16.534 11.563 6.228 700 HD21 LEU 89 3HD2 LEU 89 -16.354 9.339 8.273 701 HD22 LEU 89 1HD2 LEU 89 -15.554 9.383 6.702 702 HD23 LEU 89 2HD2 LEU 89 -16.580 8.014 7.138 Start of MODEL 11 1 H1 MET 1 1H MET 1 -16.928 -17.950 1.079 2 H2 MET 1 2H MET 1 -17.412 -19.391 0.380 3 H3 MET 1 3H MET 1 -18.463 -18.600 1.406 4 HA MET 1 HA MET 1 -19.093 -18.389 -0.891 5 HB2 MET 1 1HB MET 1 -17.989 -15.799 0.212 6 HB3 MET 1 2HB MET 1 -19.054 -15.903 -1.180 7 HG2 MET 1 1HG MET 1 -20.755 -16.953 0.318 8 HG3 MET 1 2HG MET 1 -19.684 -16.601 1.672 9 HE1 MET 1 3HE MET 1 -19.585 -12.659 1.593 10 HE2 MET 1 1HE MET 1 -18.451 -13.754 0.797 11 HE3 MET 1 2HE MET 1 -19.029 -14.107 2.431 12 H GLU 2 H GLU 2 -16.134 -16.345 -0.620 13 HA GLU 2 HA GLU 2 -14.814 -17.588 -2.737 14 HB2 GLU 2 1HB GLU 2 -14.960 -15.625 -4.305 15 HB3 GLU 2 2HB GLU 2 -16.493 -16.458 -4.122 16 HG2 GLU 2 1HG GLU 2 -17.158 -14.699 -2.472 17 HG3 GLU 2 2HG GLU 2 -15.680 -13.833 -2.892 18 HA PRO 3 HA PRO 3 -11.527 -15.512 -0.592 19 HB2 PRO 3 1HB PRO 3 -10.452 -14.532 -3.193 20 HB3 PRO 3 2HB PRO 3 -9.653 -15.499 -1.947 21 HG2 PRO 3 1HG PRO 3 -10.434 -16.629 -4.202 22 HG3 PRO 3 2HG PRO 3 -10.654 -17.475 -2.657 23 HD2 PRO 3 1HD PRO 3 -12.666 -15.996 -4.308 24 HD3 PRO 3 2HD PRO 3 -12.826 -17.546 -3.455 25 HA PRO 4 HA PRO 4 -12.715 -11.220 -0.355 26 HB2 PRO 4 1HB PRO 4 -10.850 -10.348 1.400 27 HB3 PRO 4 2HB PRO 4 -12.148 -11.434 1.908 28 HG2 PRO 4 1HG PRO 4 -9.300 -12.059 1.238 29 HG3 PRO 4 2HG PRO 4 -10.294 -12.674 2.571 30 HD2 PRO 4 1HD PRO 4 -9.834 -14.059 0.268 31 HD3 PRO 4 2HD PRO 4 -11.299 -14.263 1.254 32 HA PRO 5 HA PRO 5 -9.930 -8.815 -2.997 33 HB2 PRO 5 1HB PRO 5 -9.990 -6.582 -1.055 34 HB3 PRO 5 2HB PRO 5 -10.512 -6.612 -2.744 35 HG2 PRO 5 1HG PRO 5 -12.307 -6.508 -0.776 36 HG3 PRO 5 2HG PRO 5 -12.587 -7.478 -2.238 37 HD2 PRO 5 1HD PRO 5 -11.706 -8.364 0.479 38 HD3 PRO 5 2HD PRO 5 -12.905 -9.093 -0.609 39 H LYS 6 H LYS 6 -7.878 -9.484 -2.997 40 HA LYS 6 HA LYS 6 -6.379 -9.408 -0.501 41 HB2 LYS 6 1HB LYS 6 -5.615 -10.610 -3.171 42 HB3 LYS 6 2HB LYS 6 -4.644 -10.707 -1.711 43 HG2 LYS 6 1HG LYS 6 -6.608 -11.913 -0.644 44 HG3 LYS 6 2HG LYS 6 -7.309 -12.003 -2.252 45 HD2 LYS 6 1HD LYS 6 -4.610 -13.121 -1.459 46 HD3 LYS 6 2HD LYS 6 -6.089 -14.060 -1.616 47 HE2 LYS 6 1HE LYS 6 -4.810 -12.498 -3.859 48 HE3 LYS 6 2HE LYS 6 -4.554 -14.216 -3.580 49 HZ1 LYS 6 3HZ LYS 6 -7.002 -14.506 -3.876 50 HZ2 LYS 6 1HZ LYS 6 -6.225 -13.916 -5.241 51 HZ3 LYS 6 2HZ LYS 6 -7.105 -12.878 -4.301 52 H LEU 7 H LEU 7 -4.790 -8.157 -0.050 53 HA LEU 7 HA LEU 7 -4.476 -5.905 -1.813 54 HB2 LEU 7 1HB LEU 7 -3.590 -6.337 1.028 55 HB3 LEU 7 2HB LEU 7 -3.271 -4.882 0.112 56 HG LEU 7 HG LEU 7 -5.052 -4.407 1.532 57 HD11 LEU 7 1HD1 LEU 7 -5.334 -3.474 -0.638 58 HD12 LEU 7 2HD1 LEU 7 -6.914 -3.902 0.030 59 HD13 LEU 7 3HD1 LEU 7 -6.172 -4.921 -1.190 60 HD21 LEU 7 3HD2 LEU 7 -6.458 -6.882 0.555 61 HD22 LEU 7 1HD2 LEU 7 -7.151 -5.670 1.632 62 HD23 LEU 7 2HD2 LEU 7 -5.768 -6.627 2.161 63 H VAL 8 H VAL 8 -3.199 -6.447 -3.355 64 HA VAL 8 HA VAL 8 -0.549 -7.461 -2.690 65 HB VAL 8 HB VAL 8 -1.849 -7.182 -5.417 66 HG11 VAL 8 1HG1 VAL 8 0.578 -7.204 -5.496 67 HG12 VAL 8 2HG1 VAL 8 -0.079 -8.699 -6.165 68 HG13 VAL 8 3HG1 VAL 8 0.609 -8.687 -4.541 69 HG21 VAL 8 3HG2 VAL 8 -1.610 -9.643 -3.687 70 HG22 VAL 8 1HG2 VAL 8 -2.202 -9.602 -5.348 71 HG23 VAL 8 2HG2 VAL 8 -3.100 -8.781 -4.067 72 H LEU 9 H LEU 9 0.824 -5.912 -2.365 73 HA LEU 9 HA LEU 9 0.482 -3.293 -3.561 74 HB2 LEU 9 1HB LEU 9 1.055 -3.640 -1.132 75 HB3 LEU 9 2HB LEU 9 2.578 -4.330 -1.640 76 HG LEU 9 HG LEU 9 3.159 -2.128 -2.678 77 HD11 LEU 9 1HD1 LEU 9 0.899 -1.259 -2.965 78 HD12 LEU 9 2HD1 LEU 9 1.885 -0.162 -2.004 79 HD13 LEU 9 3HD1 LEU 9 0.693 -1.194 -1.215 80 HD21 LEU 9 3HD2 LEU 9 3.670 -1.033 -0.547 81 HD22 LEU 9 1HD2 LEU 9 4.002 -2.765 -0.479 82 HD23 LEU 9 2HD2 LEU 9 2.546 -2.111 0.278 83 H ASP 10 H ASP 10 1.213 -3.224 -5.594 84 HA ASP 10 HA ASP 10 3.284 -4.918 -6.612 85 HB2 ASP 10 1HB ASP 10 1.386 -3.861 -7.986 86 HB3 ASP 10 2HB ASP 10 2.304 -2.358 -7.890 87 H LEU 11 H LEU 11 5.303 -4.669 -5.897 88 HA LEU 11 HA LEU 11 6.176 -2.169 -4.828 89 HB2 LEU 11 1HB LEU 11 7.671 -4.748 -5.236 90 HB3 LEU 11 2HB LEU 11 8.295 -3.359 -4.375 91 HG LEU 11 HG LEU 11 5.913 -5.023 -3.542 92 HD11 LEU 11 1HD1 LEU 11 7.347 -5.727 -1.692 93 HD12 LEU 11 2HD1 LEU 11 8.689 -4.825 -2.398 94 HD13 LEU 11 3HD1 LEU 11 8.006 -6.203 -3.256 95 HD21 LEU 11 3HD2 LEU 11 7.253 -2.686 -2.174 96 HD22 LEU 11 1HD2 LEU 11 6.010 -3.713 -1.460 97 HD23 LEU 11 2HD2 LEU 11 5.625 -2.710 -2.853 98 H GLU 12 H GLU 12 6.478 -3.795 -7.827 99 HA GLU 12 HA GLU 12 8.767 -2.425 -8.779 100 HB2 GLU 12 1HB GLU 12 6.488 -3.659 -10.318 101 HB3 GLU 12 2HB GLU 12 8.014 -3.135 -11.015 102 HG2 GLU 12 1HG GLU 12 9.171 -4.784 -9.581 103 HG3 GLU 12 2HG GLU 12 7.595 -5.348 -9.027 104 H ARG 13 H ARG 13 5.298 -1.900 -9.179 105 HA ARG 13 HA ARG 13 5.576 0.542 -10.571 106 HB2 ARG 13 1HB ARG 13 3.506 -0.750 -10.720 107 HB3 ARG 13 2HB ARG 13 3.229 -0.554 -8.997 108 HG2 ARG 13 1HG ARG 13 1.790 0.935 -10.279 109 HG3 ARG 13 2HG ARG 13 2.944 1.858 -9.317 110 HD2 ARG 13 1HD ARG 13 4.379 2.051 -11.324 111 HD3 ARG 13 2HD ARG 13 3.114 1.264 -12.266 112 HE ARG 13 HE ARG 13 1.894 3.382 -11.030 113 HH11 ARG 13 1HH1 ARG 13 4.592 2.967 -13.252 114 HH12 ARG 13 2HH1 ARG 13 4.463 4.512 -13.940 115 HH21 ARG 13 1HH2 ARG 13 1.704 5.540 -11.973 116 HH22 ARG 13 2HH2 ARG 13 2.802 6.002 -13.178 117 H LEU 14 H LEU 14 5.386 -0.334 -7.210 118 HA LEU 14 HA LEU 14 4.832 2.164 -6.063 119 HB2 LEU 14 1HB LEU 14 5.023 -0.307 -5.100 120 HB3 LEU 14 2HB LEU 14 6.644 0.209 -4.698 121 HG LEU 14 HG LEU 14 5.130 0.377 -2.784 122 HD11 LEU 14 1HD1 LEU 14 5.541 2.669 -2.113 123 HD12 LEU 14 2HD1 LEU 14 5.950 3.079 -3.780 124 HD13 LEU 14 3HD1 LEU 14 6.961 1.953 -2.877 125 HD21 LEU 14 3HD2 LEU 14 3.077 0.723 -4.020 126 HD22 LEU 14 1HD2 LEU 14 3.587 2.354 -4.450 127 HD23 LEU 14 2HD2 LEU 14 3.281 1.942 -2.765 128 H ALA 15 H ALA 15 7.846 0.665 -7.064 129 HA ALA 15 HA ALA 15 9.595 2.641 -6.041 130 HB1 ALA 15 3HB ALA 15 10.040 0.739 -8.343 131 HB2 ALA 15 1HB ALA 15 10.338 0.382 -6.643 132 HB3 ALA 15 2HB ALA 15 11.288 1.620 -7.463 133 H THR 16 H THR 16 7.378 2.852 -8.566 134 HA THR 16 HA THR 16 8.912 4.918 -9.969 135 HB THR 16 HB THR 16 6.305 3.598 -10.811 136 HG1 THR 16 HG1 THR 16 8.558 2.462 -10.486 137 HG21 THR 16 3HG2 THR 16 8.452 5.042 -12.408 138 HG22 THR 16 1HG2 THR 16 6.880 5.712 -11.980 139 HG23 THR 16 2HG2 THR 16 6.980 4.328 -13.068 140 H VAL 17 H VAL 17 6.865 4.622 -7.432 141 HA VAL 17 HA VAL 17 5.147 6.885 -8.009 142 HB VAL 17 HB VAL 17 5.389 5.111 -5.538 143 HG11 VAL 17 1HG1 VAL 17 3.311 6.125 -4.758 144 HG12 VAL 17 2HG1 VAL 17 3.291 7.189 -6.160 145 HG13 VAL 17 3HG1 VAL 17 4.563 7.354 -4.949 146 HG21 VAL 17 3HG2 VAL 17 4.500 3.922 -7.459 147 HG22 VAL 17 1HG2 VAL 17 3.298 5.187 -7.702 148 HG23 VAL 17 2HG2 VAL 17 3.235 4.180 -6.255 149 HA PRO 18 HA PRO 18 7.975 9.965 -6.394 150 HB2 PRO 18 1HB PRO 18 5.437 10.926 -5.138 151 HB3 PRO 18 2HB PRO 18 6.685 11.849 -5.984 152 HG2 PRO 18 1HG PRO 18 4.421 11.232 -7.217 153 HG3 PRO 18 2HG PRO 18 5.969 11.160 -8.077 154 HD2 PRO 18 1HD PRO 18 4.249 8.945 -7.094 155 HD3 PRO 18 2HD PRO 18 5.352 9.000 -8.484 156 H ALA 19 H ALA 19 9.253 9.686 -4.747 157 HA ALA 19 HA ALA 19 8.745 8.010 -2.556 158 HB1 ALA 19 3HB ALA 19 10.987 8.425 -3.478 159 HB2 ALA 19 1HB ALA 19 10.929 8.700 -1.738 160 HB3 ALA 19 2HB ALA 19 10.933 10.069 -2.846 161 H GLU 20 H GLU 20 8.063 11.295 -3.038 162 HA GLU 20 HA GLU 20 8.000 12.305 -0.434 163 HB2 GLU 20 1HB GLU 20 6.117 12.955 -2.694 164 HB3 GLU 20 2HB GLU 20 6.378 13.928 -1.258 165 HG2 GLU 20 1HG GLU 20 8.725 14.240 -1.934 166 HG3 GLU 20 2HG GLU 20 8.388 13.331 -3.405 167 H LYS 21 H LYS 21 5.814 10.134 -2.070 168 HA LYS 21 HA LYS 21 4.147 10.088 0.360 169 HB2 LYS 21 1HB LYS 21 3.319 9.363 -2.462 170 HB3 LYS 21 2HB LYS 21 2.303 9.187 -1.041 171 HG2 LYS 21 1HG LYS 21 2.435 11.640 -0.707 172 HG3 LYS 21 2HG LYS 21 3.340 11.759 -2.216 173 HD2 LYS 21 1HD LYS 21 1.434 10.757 -3.417 174 HD3 LYS 21 2HD LYS 21 0.533 10.689 -1.902 175 HE2 LYS 21 1HE LYS 21 1.530 13.192 -3.279 176 HE3 LYS 21 2HE LYS 21 -0.137 12.627 -3.229 177 HZ1 LYS 21 3HZ LYS 21 1.479 13.528 -0.892 178 HZ2 LYS 21 1HZ LYS 21 -0.102 12.948 -0.794 179 HZ3 LYS 21 2HZ LYS 21 0.215 14.355 -1.616 180 H ALA 22 H ALA 22 5.943 8.235 -1.979 181 HA ALA 22 HA ALA 22 5.047 5.678 -1.061 182 HB1 ALA 22 3HB ALA 22 6.660 4.784 -2.634 183 HB2 ALA 22 1HB ALA 22 7.347 6.389 -2.863 184 HB3 ALA 22 2HB ALA 22 5.692 6.058 -3.378 185 H GLY 23 H GLY 23 7.425 7.855 0.023 186 HA2 GLY 23 1HA GLY 23 9.613 6.383 0.753 187 HA3 GLY 23 2HA GLY 23 9.026 7.765 1.649 188 HA PRO 24 HA PRO 24 8.081 5.219 5.110 189 HB2 PRO 24 1HB PRO 24 5.233 5.872 5.313 190 HB3 PRO 24 2HB PRO 24 6.552 6.321 6.389 191 HG2 PRO 24 1HG PRO 24 5.321 8.132 4.805 192 HG3 PRO 24 2HG PRO 24 7.034 8.250 5.240 193 HD2 PRO 24 1HD PRO 24 5.789 7.272 2.697 194 HD3 PRO 24 2HD PRO 24 7.236 8.279 2.928 195 H LEU 25 H LEU 25 6.010 4.871 2.411 196 HA LEU 25 HA LEU 25 4.683 2.497 3.240 197 HB2 LEU 25 1HB LEU 25 3.749 3.976 1.538 198 HB3 LEU 25 2HB LEU 25 5.111 3.657 0.494 199 HG LEU 25 HG LEU 25 4.363 1.409 0.072 200 HD11 LEU 25 1HD1 LEU 25 2.340 0.506 1.119 201 HD12 LEU 25 2HD1 LEU 25 2.209 1.950 2.121 202 HD13 LEU 25 3HD1 LEU 25 3.575 0.852 2.329 203 HD21 LEU 25 3HD2 LEU 25 2.022 3.295 0.048 204 HD22 LEU 25 1HD2 LEU 25 2.205 1.847 -0.938 205 HD23 LEU 25 2HD2 LEU 25 3.288 3.227 -1.172 206 H GLN 26 H GLN 26 7.457 3.203 1.173 207 HA GLN 26 HA GLN 26 8.132 0.522 0.628 208 HB2 GLN 26 1HB GLN 26 9.894 2.982 0.702 209 HB3 GLN 26 2HB GLN 26 10.377 1.418 0.057 210 HG2 GLN 26 1HG GLN 26 8.635 1.569 -1.629 211 HG3 GLN 26 2HG GLN 26 8.141 3.133 -0.986 212 HE21 GLN 26 2HE2 GLN 26 10.543 1.404 -2.761 213 HE22 GLN 26 1HE2 GLN 26 11.368 2.784 -3.393 214 H ARG 27 H ARG 27 8.995 2.737 3.178 215 HA ARG 27 HA ARG 27 10.911 1.179 4.522 216 HB2 ARG 27 1HB ARG 27 8.922 3.133 5.624 217 HB3 ARG 27 2HB ARG 27 10.267 2.476 6.542 218 HG2 ARG 27 1HG ARG 27 10.600 4.103 4.013 219 HG3 ARG 27 2HG ARG 27 10.617 4.805 5.626 220 HD2 ARG 27 1HD ARG 27 12.889 4.475 4.843 221 HD3 ARG 27 2HD ARG 27 12.566 3.387 6.185 222 HE ARG 27 HE ARG 27 12.339 2.403 3.435 223 HH11 ARG 27 1HH1 ARG 27 14.176 2.441 6.463 224 HH12 ARG 27 2HH1 ARG 27 14.947 0.955 6.166 225 HH21 ARG 27 1HH2 ARG 27 13.436 0.425 3.011 226 HH22 ARG 27 2HH2 ARG 27 14.511 -0.240 4.163 227 H TYR 28 H TYR 28 7.408 1.420 5.017 228 HA TYR 28 HA TYR 28 6.951 -0.582 6.993 229 HB2 TYR 28 1HB TYR 28 5.321 1.061 6.118 230 HB3 TYR 28 2HB TYR 28 5.229 0.164 4.624 231 HD1 TYR 28 HD1 TYR 28 4.655 0.194 7.949 232 HD2 TYR 28 HD2 TYR 28 4.192 -1.839 4.588 233 HE1 TYR 28 HE1 TYR 28 2.813 -1.186 9.201 234 HE2 TYR 28 HE2 TYR 28 2.345 -3.345 5.543 235 HH TYR 28 HH TYR 28 1.499 -4.050 7.709 236 H ALA 29 H ALA 29 6.413 -0.864 3.774 237 HA ALA 29 HA ALA 29 6.152 -3.578 3.397 238 HB1 ALA 29 3HB ALA 29 6.758 -3.333 1.065 239 HB2 ALA 29 1HB ALA 29 7.545 -1.793 1.415 240 HB3 ALA 29 2HB ALA 29 5.797 -1.953 1.595 241 H ALA 30 H ALA 30 9.308 -1.882 3.302 242 HA ALA 30 HA ALA 30 10.775 -4.267 2.773 243 HB1 ALA 30 3HB ALA 30 12.762 -2.954 3.276 244 HB2 ALA 30 1HB ALA 30 11.766 -1.681 3.978 245 HB3 ALA 30 2HB ALA 30 11.665 -2.028 2.251 246 H THR 31 H THR 31 10.103 -2.464 5.750 247 HA THR 31 HA THR 31 11.661 -4.082 7.425 248 HB THR 31 HB THR 31 9.198 -2.473 8.181 249 HG1 THR 31 HG1 THR 31 10.509 -1.017 7.319 250 HG21 THR 31 3HG2 THR 31 11.612 -3.335 9.806 251 HG22 THR 31 1HG2 THR 31 9.986 -4.005 9.955 252 HG23 THR 31 2HG2 THR 31 10.290 -2.321 10.387 253 H ILE 32 H ILE 32 8.221 -4.242 6.532 254 HA ILE 32 HA ILE 32 7.517 -6.400 8.173 255 HB ILE 32 HB ILE 32 6.380 -5.604 5.474 256 HG12 ILE 32 1HG1 ILE 32 6.112 -3.868 7.166 257 HG13 ILE 32 2HG1 ILE 32 4.555 -4.586 6.788 258 HG21 ILE 32 1HG2 ILE 32 5.201 -7.522 7.486 259 HG22 ILE 32 2HG2 ILE 32 5.833 -7.931 5.888 260 HG23 ILE 32 3HG2 ILE 32 4.391 -6.929 6.033 261 HD11 ILE 32 3HD1 ILE 32 4.696 -5.914 8.861 262 HD12 ILE 32 1HD1 ILE 32 4.750 -4.179 9.160 263 HD13 ILE 32 2HD1 ILE 32 6.230 -5.125 9.239 264 H GLN 33 H GLN 33 8.694 -6.404 4.815 265 HA GLN 33 HA GLN 33 8.690 -9.203 4.548 266 HB2 GLN 33 1HB GLN 33 10.275 -7.098 3.125 267 HB3 GLN 33 2HB GLN 33 10.321 -8.784 2.654 268 HG2 GLN 33 1HG GLN 33 7.875 -8.688 2.296 269 HG3 GLN 33 2HG GLN 33 7.923 -6.968 2.673 270 HE21 GLN 33 2HE2 GLN 33 9.023 -5.619 1.280 271 HE22 GLN 33 1HE2 GLN 33 9.302 -6.055 -0.380 272 H SER 34 H SER 34 11.052 -7.022 5.872 273 HA SER 34 HA SER 34 13.164 -8.920 6.022 274 HB2 SER 34 1HB SER 34 12.724 -6.462 7.743 275 HB3 SER 34 2HB SER 34 14.250 -7.316 7.515 276 HG SER 34 HG SER 34 12.747 -6.009 5.486 277 H GLN 35 H GLN 35 10.566 -7.959 8.233 278 HA GLN 35 HA GLN 35 11.420 -9.621 10.398 279 HB2 GLN 35 1HB GLN 35 8.690 -8.441 9.822 280 HB3 GLN 35 2HB GLN 35 9.170 -9.179 11.341 281 HG2 GLN 35 1HG GLN 35 10.390 -6.695 10.143 282 HG3 GLN 35 2HG GLN 35 9.198 -6.729 11.441 283 HE21 GLN 35 2HE2 GLN 35 12.531 -7.360 10.587 284 HE22 GLN 35 1HE2 GLN 35 13.104 -7.485 12.191 285 H ARG 36 H ARG 36 9.251 -9.974 7.701 286 HA ARG 36 HA ARG 36 8.187 -12.534 8.346 287 HB2 ARG 36 1HB ARG 36 8.311 -10.767 5.963 288 HB3 ARG 36 2HB ARG 36 7.867 -12.444 5.732 289 HG2 ARG 36 1HG ARG 36 6.454 -10.735 7.740 290 HG3 ARG 36 2HG ARG 36 6.010 -10.703 6.029 291 HD2 ARG 36 1HD ARG 36 6.083 -13.162 7.783 292 HD3 ARG 36 2HD ARG 36 4.628 -12.291 7.277 293 HE ARG 36 HE ARG 36 6.430 -13.370 5.221 294 HH11 ARG 36 1HH1 ARG 36 3.352 -13.719 6.924 295 HH12 ARG 36 2HH1 ARG 36 2.609 -14.574 5.667 296 HH21 ARG 36 1HH2 ARG 36 5.440 -14.443 3.517 297 HH22 ARG 36 2HH2 ARG 36 3.827 -15.023 3.651 298 H GLY 37 H GLY 37 11.075 -11.434 6.748 299 HA2 GLY 37 1HA GLY 37 12.993 -12.720 6.364 300 HA3 GLY 37 2HA GLY 37 12.025 -14.182 6.544 301 H ASP 38 H ASP 38 9.941 -13.560 4.807 302 HA ASP 38 HA ASP 38 11.267 -14.055 2.317 303 HB2 ASP 38 1HB ASP 38 9.038 -14.675 1.435 304 HB3 ASP 38 2HB ASP 38 9.462 -15.569 2.881 305 H TYR 39 H TYR 39 12.054 -12.298 1.463 306 HA TYR 39 HA TYR 39 10.385 -9.975 1.026 307 HB2 TYR 39 1HB TYR 39 12.765 -9.737 1.776 308 HB3 TYR 39 2HB TYR 39 13.285 -10.543 0.307 309 HD1 TYR 39 HD2 TYR 39 13.092 -9.337 -1.872 310 HD2 TYR 39 HD1 TYR 39 12.155 -7.444 1.817 311 HE1 TYR 39 HE2 TYR 39 13.228 -7.138 -2.968 312 HE2 TYR 39 HE1 TYR 39 12.293 -5.244 0.731 313 HH TYR 39 HH TYR 39 12.340 -4.856 -2.626 314 H ASN 40 H ASN 40 9.052 -10.257 -0.591 315 HA ASN 40 HA ASN 40 9.503 -12.129 -2.729 316 HB2 ASN 40 1HB ASN 40 7.217 -11.657 -1.888 317 HB3 ASN 40 2HB ASN 40 7.370 -9.989 -2.404 318 HD21 ASN 40 2HD2 ASN 40 5.406 -12.012 -3.128 319 HD22 ASN 40 1HD2 ASN 40 5.456 -12.151 -4.847 320 H GLY 41 H GLY 41 9.237 -8.616 -2.523 321 HA2 GLY 41 1HA GLY 41 10.753 -7.121 -3.526 322 HA3 GLY 41 2HA GLY 41 11.314 -8.423 -4.560 323 H LYS 42 H LYS 42 8.988 -9.294 -5.649 324 HA LYS 42 HA LYS 42 8.559 -7.292 -7.648 325 HB2 LYS 42 1HB LYS 42 8.635 -9.725 -8.132 326 HB3 LYS 42 2HB LYS 42 7.150 -9.934 -7.220 327 HG2 LYS 42 1HG LYS 42 5.992 -8.472 -8.807 328 HG3 LYS 42 2HG LYS 42 7.484 -8.323 -9.729 329 HD2 LYS 42 1HD LYS 42 7.480 -10.779 -10.051 330 HD3 LYS 42 2HD LYS 42 5.921 -10.844 -9.226 331 HE2 LYS 42 1HE LYS 42 5.611 -10.839 -11.644 332 HE3 LYS 42 2HE LYS 42 4.959 -9.368 -10.928 333 HZ1 LYS 42 3HZ LYS 42 7.622 -9.588 -12.220 334 HZ2 LYS 42 1HZ LYS 42 6.933 -8.172 -11.619 335 HZ3 LYS 42 2HZ LYS 42 6.260 -8.941 -12.962 336 H VAL 43 H VAL 43 6.460 -8.917 -5.314 337 HA VAL 43 HA VAL 43 4.806 -6.531 -5.124 338 HB VAL 43 HB VAL 43 2.737 -7.910 -5.095 339 HG11 VAL 43 1HG1 VAL 43 2.534 -8.360 -7.485 340 HG12 VAL 43 2HG1 VAL 43 4.282 -8.225 -7.658 341 HG13 VAL 43 3HG1 VAL 43 3.334 -6.817 -7.189 342 HG21 VAL 43 3HG2 VAL 43 4.518 -10.174 -6.003 343 HG22 VAL 43 1HG2 VAL 43 2.756 -10.220 -5.941 344 HG23 VAL 43 2HG2 VAL 43 3.687 -10.058 -4.452 345 H LEU 44 H LEU 44 3.275 -6.897 -3.197 346 HA LEU 44 HA LEU 44 4.324 -8.768 -1.224 347 HB2 LEU 44 1HB LEU 44 5.481 -6.646 -0.775 348 HB3 LEU 44 2HB LEU 44 3.950 -5.798 -0.752 349 HG LEU 44 HG LEU 44 3.301 -7.045 1.275 350 HD11 LEU 44 1HD1 LEU 44 4.966 -8.344 2.491 351 HD12 LEU 44 2HD1 LEU 44 6.081 -8.171 1.133 352 HD13 LEU 44 3HD1 LEU 44 4.576 -9.064 0.929 353 HD21 LEU 44 3HD2 LEU 44 5.953 -5.630 1.483 354 HD22 LEU 44 1HD2 LEU 44 4.835 -5.930 2.812 355 HD23 LEU 44 2HD2 LEU 44 4.364 -4.864 1.491 356 H SER 45 H SER 45 2.622 -9.812 -0.317 357 HA SER 45 HA SER 45 0.009 -8.605 -0.779 358 HB2 SER 45 1HB SER 45 0.504 -10.919 -1.713 359 HB3 SER 45 2HB SER 45 0.610 -11.488 -0.051 360 HG SER 45 HG SER 45 -1.687 -10.106 -0.377 361 H ILE 46 H ILE 46 -0.745 -7.554 0.858 362 HA ILE 46 HA ILE 46 -0.012 -8.359 3.588 363 HB ILE 46 HB ILE 46 -0.482 -6.011 4.239 364 HG12 ILE 46 1HG1 ILE 46 -0.757 -5.517 1.257 365 HG13 ILE 46 2HG1 ILE 46 -2.070 -5.462 2.424 366 HG21 ILE 46 1HG2 ILE 46 1.799 -6.669 3.766 367 HG22 ILE 46 2HG2 ILE 46 1.516 -5.000 3.267 368 HG23 ILE 46 3HG2 ILE 46 1.561 -6.283 2.059 369 HD11 ILE 46 3HD1 ILE 46 -1.329 -3.233 1.807 370 HD12 ILE 46 1HD1 ILE 46 0.306 -3.611 2.348 371 HD13 ILE 46 2HD1 ILE 46 -1.018 -3.544 3.514 372 H ARG 47 H ARG 47 -1.801 -7.792 5.242 373 HA ARG 47 HA ARG 47 -4.229 -9.037 4.298 374 HB2 ARG 47 1HB ARG 47 -3.646 -7.775 6.963 375 HB3 ARG 47 2HB ARG 47 -5.002 -8.803 6.564 376 HG2 ARG 47 1HG ARG 47 -3.382 -10.655 6.182 377 HG3 ARG 47 2HG ARG 47 -2.116 -9.586 6.810 378 HD2 ARG 47 1HD ARG 47 -3.549 -9.218 8.816 379 HD3 ARG 47 2HD ARG 47 -4.612 -10.469 8.195 380 HE ARG 47 HE ARG 47 -1.970 -11.429 8.400 381 HH11 ARG 47 1HH1 ARG 47 -4.895 -10.784 10.305 382 HH12 ARG 47 2HH1 ARG 47 -4.376 -11.622 11.681 383 HH21 ARG 47 1HH2 ARG 47 -1.267 -12.639 10.314 384 HH22 ARG 47 2HH2 ARG 47 -2.287 -12.706 11.686 385 H GLN 48 H GLN 48 -6.365 -7.991 5.069 386 HA GLN 48 HA GLN 48 -6.682 -5.387 3.971 387 HB2 GLN 48 1HB GLN 48 -8.529 -6.992 5.784 388 HB3 GLN 48 2HB GLN 48 -8.988 -5.512 4.967 389 HG2 GLN 48 1HG GLN 48 -9.926 -7.357 3.775 390 HG3 GLN 48 2HG GLN 48 -8.641 -6.677 2.790 391 HE21 GLN 48 2HE2 GLN 48 -8.323 -8.539 1.598 392 HE22 GLN 48 1HE2 GLN 48 -7.630 -9.956 2.274 393 H ASP 49 H ASP 49 -6.188 -6.758 7.065 394 HA ASP 49 HA ASP 49 -6.490 -4.524 8.742 395 HB2 ASP 49 1HB ASP 49 -6.402 -6.782 9.601 396 HB3 ASP 49 2HB ASP 49 -4.781 -7.002 8.958 397 H ASP 50 H ASP 50 -3.749 -5.693 6.856 398 HA ASP 50 HA ASP 50 -1.870 -3.801 7.874 399 HB2 ASP 50 1HB ASP 50 -1.919 -5.443 5.374 400 HB3 ASP 50 2HB ASP 50 -0.603 -4.320 5.708 401 H LEU 51 H LEU 51 -4.035 -3.893 5.132 402 HA LEU 51 HA LEU 51 -3.327 -1.564 3.781 403 HB2 LEU 51 1HB LEU 51 -4.990 -3.199 3.032 404 HB3 LEU 51 2HB LEU 51 -6.079 -2.677 4.292 405 HG LEU 51 HG LEU 51 -6.096 -0.407 3.207 406 HD11 LEU 51 1HD1 LEU 51 -4.755 -1.897 0.962 407 HD12 LEU 51 2HD1 LEU 51 -4.063 -0.576 1.904 408 HD13 LEU 51 3HD1 LEU 51 -5.443 -0.279 0.852 409 HD21 LEU 51 3HD2 LEU 51 -7.138 -2.774 1.658 410 HD22 LEU 51 1HD2 LEU 51 -7.672 -1.106 1.442 411 HD23 LEU 51 2HD2 LEU 51 -7.947 -1.926 2.974 412 H ARG 52 H ARG 52 -5.476 -2.029 6.519 413 HA ARG 52 HA ARG 52 -6.236 0.665 6.846 414 HB2 ARG 52 1HB ARG 52 -6.216 -1.650 8.765 415 HB3 ARG 52 2HB ARG 52 -6.899 -0.078 9.163 416 HG2 ARG 52 1HG ARG 52 -8.545 -0.282 7.444 417 HG3 ARG 52 2HG ARG 52 -7.781 -1.746 6.824 418 HD2 ARG 52 1HD ARG 52 -9.770 -2.252 8.150 419 HD3 ARG 52 2HD ARG 52 -8.308 -2.918 8.868 420 HE ARG 52 HE ARG 52 -8.943 -0.368 9.947 421 HH11 ARG 52 1HH1 ARG 52 -9.861 -3.795 10.068 422 HH12 ARG 52 2HH1 ARG 52 -10.402 -3.756 11.678 423 HH21 ARG 52 1HH2 ARG 52 -9.700 -0.304 12.218 424 HH22 ARG 52 2HH2 ARG 52 -10.310 -1.727 12.916 425 H THR 53 H THR 53 -3.579 -1.225 8.048 426 HA THR 53 HA THR 53 -2.557 0.545 9.963 427 HB THR 53 HB THR 53 -1.127 -1.484 8.231 428 HG1 THR 53 HG1 THR 53 -2.812 -2.390 9.525 429 HG21 THR 53 3HG2 THR 53 -0.262 -0.225 10.857 430 HG22 THR 53 1HG2 THR 53 0.471 0.062 9.277 431 HG23 THR 53 2HG2 THR 53 0.581 -1.529 10.010 432 H LEU 54 H LEU 54 -1.942 0.246 6.470 433 HA LEU 54 HA LEU 54 0.047 2.170 6.128 434 HB2 LEU 54 1HB LEU 54 -2.138 1.151 4.365 435 HB3 LEU 54 2HB LEU 54 -1.250 2.558 3.849 436 HG LEU 54 HG LEU 54 0.818 1.269 3.761 437 HD11 LEU 54 1HD1 LEU 54 0.854 -1.133 4.107 438 HD12 LEU 54 2HD1 LEU 54 -0.826 -1.092 4.649 439 HD13 LEU 54 3HD1 LEU 54 0.425 -0.288 5.593 440 HD21 LEU 54 3HD2 LEU 54 -1.478 -0.100 2.380 441 HD22 LEU 54 1HD2 LEU 54 0.225 -0.238 1.938 442 HD23 LEU 54 2HD2 LEU 54 -0.598 1.318 1.804 443 H ALA 55 H ALA 55 -3.434 2.548 6.185 444 HA ALA 55 HA ALA 55 -3.541 5.306 5.626 445 HB1 ALA 55 3HB ALA 55 -5.495 3.643 7.209 446 HB2 ALA 55 1HB ALA 55 -5.491 3.804 5.455 447 HB3 ALA 55 2HB ALA 55 -5.824 5.206 6.469 448 H VAL 56 H VAL 56 -3.042 3.559 8.596 449 HA VAL 56 HA VAL 56 -3.512 5.770 10.336 450 HB VAL 56 HB VAL 56 -1.962 3.208 10.882 451 HG11 VAL 56 1HG1 VAL 56 -2.392 3.663 13.251 452 HG12 VAL 56 2HG1 VAL 56 -3.165 5.187 12.818 453 HG13 VAL 56 3HG1 VAL 56 -1.445 4.952 12.506 454 HG21 VAL 56 3HG2 VAL 56 -4.032 2.410 11.938 455 HG22 VAL 56 1HG2 VAL 56 -4.258 2.742 10.221 456 HG23 VAL 56 2HG2 VAL 56 -4.854 3.882 11.427 457 H ILE 57 H ILE 57 -0.715 4.460 8.691 458 HA ILE 57 HA ILE 57 1.353 5.785 10.074 459 HB ILE 57 HB ILE 57 1.373 5.155 7.105 460 HG12 ILE 57 1HG1 ILE 57 2.184 3.353 9.407 461 HG13 ILE 57 2HG1 ILE 57 0.746 3.171 8.396 462 HG21 ILE 57 1HG2 ILE 57 3.632 5.444 9.095 463 HG22 ILE 57 2HG2 ILE 57 3.206 6.585 7.819 464 HG23 ILE 57 3HG2 ILE 57 3.811 4.983 7.400 465 HD11 ILE 57 3HD1 ILE 57 3.596 2.982 7.452 466 HD12 ILE 57 1HD1 ILE 57 2.159 2.779 6.453 467 HD13 ILE 57 2HD1 ILE 57 2.505 1.626 7.741 468 H TYR 58 H TYR 58 -0.581 6.751 7.303 469 HA TYR 58 HA TYR 58 0.905 9.294 7.078 470 HB2 TYR 58 1HB TYR 58 -1.360 8.431 5.305 471 HB3 TYR 58 2HB TYR 58 -0.047 9.533 4.911 472 HD1 TYR 58 HD2 TYR 58 2.346 7.997 5.533 473 HD2 TYR 58 HD1 TYR 58 -1.355 6.688 3.911 474 HE1 TYR 58 HE2 TYR 58 3.462 6.050 4.527 475 HE2 TYR 58 HE1 TYR 58 -0.239 4.753 2.908 476 HH TYR 58 HH TYR 58 1.953 4.092 2.229 477 H ASP 59 H ASP 59 -1.599 8.143 8.734 478 HA ASP 59 HA ASP 59 -3.566 8.745 9.547 479 HB2 ASP 59 1HB ASP 59 -2.176 10.449 10.732 480 HB3 ASP 59 2HB ASP 59 -2.517 11.595 9.434 481 H GLN 60 H GLN 60 -4.213 8.005 7.520 482 HA GLN 60 HA GLN 60 -5.767 10.001 6.035 483 HB2 GLN 60 1HB GLN 60 -4.385 7.513 5.004 484 HB3 GLN 60 2HB GLN 60 -5.520 8.467 4.069 485 HG2 GLN 60 1HG GLN 60 -2.955 9.529 5.203 486 HG3 GLN 60 2HG GLN 60 -3.124 8.913 3.552 487 HE21 GLN 60 2HE2 GLN 60 -3.889 11.444 5.786 488 HE22 GLN 60 1HE2 GLN 60 -4.400 12.603 4.629 489 H SER 61 H SER 61 -7.750 9.131 5.242 490 HA SER 61 HA SER 61 -8.817 7.108 6.992 491 HB2 SER 61 1HB SER 61 -10.147 8.769 4.828 492 HB3 SER 61 2HB SER 61 -10.973 7.783 6.039 493 HG SER 61 HG SER 61 -9.140 9.693 6.929 494 HA PRO 62 HA PRO 62 -7.758 3.725 4.308 495 HB2 PRO 62 1HB PRO 62 -10.493 2.789 5.075 496 HB3 PRO 62 2HB PRO 62 -8.972 1.887 5.029 497 HG2 PRO 62 1HG PRO 62 -9.877 2.742 7.337 498 HG3 PRO 62 2HG PRO 62 -8.155 2.920 6.960 499 HD2 PRO 62 1HD PRO 62 -10.303 5.005 6.982 500 HD3 PRO 62 2HD PRO 62 -8.593 5.123 7.449 501 H SER 63 H SER 63 -10.979 5.159 3.919 502 HA SER 63 HA SER 63 -11.650 4.127 1.437 503 HB2 SER 63 1HB SER 63 -12.238 6.878 2.532 504 HB3 SER 63 2HB SER 63 -13.140 6.052 1.260 505 HG SER 63 HG SER 63 -13.899 4.627 2.681 506 H VAL 64 H VAL 64 -9.840 7.113 2.211 507 HA VAL 64 HA VAL 64 -9.426 7.792 -0.550 508 HB VAL 64 HB VAL 64 -8.012 8.861 1.913 509 HG11 VAL 64 1HG1 VAL 64 -7.533 10.850 0.551 510 HG12 VAL 64 2HG1 VAL 64 -8.276 10.065 -0.842 511 HG13 VAL 64 3HG1 VAL 64 -6.809 9.395 -0.135 512 HG21 VAL 64 3HG2 VAL 64 -10.408 9.170 2.111 513 HG22 VAL 64 1HG2 VAL 64 -10.466 9.927 0.520 514 HG23 VAL 64 2HG2 VAL 64 -9.611 10.723 1.842 515 H LEU 65 H LEU 65 -7.797 6.020 1.890 516 HA LEU 65 HA LEU 65 -5.178 6.025 0.917 517 HB2 LEU 65 1HB LEU 65 -5.939 5.296 3.201 518 HB3 LEU 65 2HB LEU 65 -6.552 3.832 2.482 519 HG LEU 65 HG LEU 65 -4.382 3.600 3.737 520 HD11 LEU 65 1HD1 LEU 65 -3.263 2.165 2.136 521 HD12 LEU 65 2HD1 LEU 65 -4.264 2.828 0.841 522 HD13 LEU 65 3HD1 LEU 65 -5.007 1.904 2.148 523 HD21 LEU 65 3HD2 LEU 65 -2.328 4.334 2.679 524 HD22 LEU 65 1HD2 LEU 65 -3.360 5.705 3.081 525 HD23 LEU 65 2HD2 LEU 65 -3.250 5.141 1.412 526 H THR 66 H THR 66 -7.920 3.699 0.159 527 HA THR 66 HA THR 66 -6.340 2.106 -1.421 528 HB THR 66 HB THR 66 -8.627 1.518 -2.329 529 HG1 THR 66 HG1 THR 66 -9.861 3.254 -1.822 530 HG21 THR 66 3HG2 THR 66 -7.493 0.174 -0.645 531 HG22 THR 66 1HG2 THR 66 -9.219 0.255 -0.298 532 HG23 THR 66 2HG2 THR 66 -8.088 1.247 0.624 533 H GLU 67 H GLU 67 -8.348 4.931 -1.997 534 HA GLU 67 HA GLU 67 -8.447 4.834 -4.784 535 HB2 GLU 67 1HB GLU 67 -8.360 7.367 -3.172 536 HB3 GLU 67 2HB GLU 67 -9.147 7.113 -4.724 537 HG2 GLU 67 1HG GLU 67 -9.979 6.105 -2.024 538 HG3 GLU 67 2HG GLU 67 -10.799 7.270 -3.055 539 H GLN 68 H GLN 68 -6.150 6.373 -2.586 540 HA GLN 68 HA GLN 68 -4.487 7.636 -4.398 541 HB2 GLN 68 1HB GLN 68 -3.981 6.342 -1.735 542 HB3 GLN 68 2HB GLN 68 -2.703 7.149 -2.625 543 HG2 GLN 68 1HG GLN 68 -5.281 8.501 -1.887 544 HG3 GLN 68 2HG GLN 68 -3.853 8.509 -0.850 545 HE21 GLN 68 2HE2 GLN 68 -5.235 9.683 -3.836 546 HE22 GLN 68 1HE2 GLN 68 -3.982 10.833 -4.153 547 H LEU 69 H LEU 69 -4.166 4.383 -3.063 548 HA LEU 69 HA LEU 69 -1.881 3.677 -4.539 549 HB2 LEU 69 1HB LEU 69 -3.986 1.894 -3.337 550 HB3 LEU 69 2HB LEU 69 -2.409 1.371 -3.891 551 HG LEU 69 HG LEU 69 -2.885 3.290 -1.603 552 HD11 LEU 69 1HD1 LEU 69 -2.004 0.443 -1.649 553 HD12 LEU 69 2HD1 LEU 69 -3.587 1.032 -1.078 554 HD13 LEU 69 3HD1 LEU 69 -2.091 1.494 -0.236 555 HD21 LEU 69 3HD2 LEU 69 -0.378 1.984 -2.615 556 HD22 LEU 69 1HD2 LEU 69 -0.527 2.950 -1.147 557 HD23 LEU 69 2HD2 LEU 69 -0.788 3.698 -2.718 558 H ILE 70 H ILE 70 -5.299 3.305 -5.258 559 HA ILE 70 HA ILE 70 -4.981 1.741 -7.605 560 HB ILE 70 HB ILE 70 -7.214 3.662 -6.877 561 HG12 ILE 70 1HG1 ILE 70 -7.106 0.663 -6.566 562 HG13 ILE 70 2HG1 ILE 70 -6.753 1.796 -5.265 563 HG21 ILE 70 1HG2 ILE 70 -8.573 2.357 -8.473 564 HG22 ILE 70 2HG2 ILE 70 -7.158 1.400 -8.899 565 HG23 ILE 70 3HG2 ILE 70 -7.204 3.120 -9.282 566 HD11 ILE 70 3HD1 ILE 70 -8.989 2.672 -5.392 567 HD12 ILE 70 1HD1 ILE 70 -9.024 0.928 -5.157 568 HD13 ILE 70 2HD1 ILE 70 -9.351 1.621 -6.755 569 H SER 71 H SER 71 -5.203 5.213 -7.001 570 HA SER 71 HA SER 71 -5.214 6.036 -9.688 571 HB2 SER 71 1HB SER 71 -4.353 7.583 -7.241 572 HB3 SER 71 2HB SER 71 -4.786 8.266 -8.812 573 HG SER 71 HG SER 71 -6.378 7.052 -6.865 574 H TRP 72 H TRP 72 -2.587 5.253 -7.502 575 HA TRP 72 HA TRP 72 -0.538 6.380 -9.204 576 HB2 TRP 72 1HB TRP 72 -0.237 4.316 -7.014 577 HB3 TRP 72 2HB TRP 72 1.058 5.249 -7.740 578 HD1 TRP 72 HD1 TRP 72 -1.008 8.018 -7.381 579 HE1 TRP 72 HE1 TRP 72 -0.928 9.096 -5.040 580 HE3 TRP 72 HE3 TRP 72 1.040 4.140 -4.787 581 HZ2 TRP 72 HZ2 TRP 72 -0.074 8.368 -2.411 582 HZ3 TRP 72 HZ3 TRP 72 1.493 4.429 -2.383 583 HH2 TRP 72 HH2 TRP 72 0.944 6.500 -1.235 584 H GLY 73 H GLY 73 -2.374 3.572 -9.132 585 HA2 GLY 73 1HA GLY 73 -2.511 1.983 -10.859 586 HA3 GLY 73 2HA GLY 73 -0.909 2.481 -11.398 587 H VAL 74 H VAL 74 -1.453 1.838 -8.083 588 HA VAL 74 HA VAL 74 0.368 -0.445 -8.275 589 HB VAL 74 HB VAL 74 -0.498 1.146 -5.845 590 HG11 VAL 74 1HG1 VAL 74 1.301 0.016 -4.674 591 HG12 VAL 74 2HG1 VAL 74 1.686 -0.912 -6.120 592 HG13 VAL 74 3HG1 VAL 74 0.144 -1.157 -5.301 593 HG21 VAL 74 3HG2 VAL 74 2.101 1.215 -7.369 594 HG22 VAL 74 1HG2 VAL 74 1.741 2.121 -5.901 595 HG23 VAL 74 2HG2 VAL 74 0.867 2.474 -7.396 596 H LEU 75 H LEU 75 -2.706 0.520 -6.837 597 HA LEU 75 HA LEU 75 -3.230 -2.297 -6.190 598 HB2 LEU 75 1HB LEU 75 -3.116 -0.669 -4.312 599 HB3 LEU 75 2HB LEU 75 -4.453 0.202 -5.024 600 HG LEU 75 HG LEU 75 -5.882 -1.801 -4.670 601 HD11 LEU 75 1HD1 LEU 75 -5.077 -3.562 -3.162 602 HD12 LEU 75 2HD1 LEU 75 -3.468 -2.845 -3.182 603 HD13 LEU 75 3HD1 LEU 75 -4.153 -3.519 -4.660 604 HD21 LEU 75 3HD2 LEU 75 -5.870 0.042 -3.075 605 HD22 LEU 75 1HD2 LEU 75 -4.512 -0.690 -2.223 606 HD23 LEU 75 2HD2 LEU 75 -6.078 -1.500 -2.245 607 H ASP 76 H ASP 76 -5.489 -2.976 -6.464 608 HA ASP 76 HA ASP 76 -6.660 -1.781 -8.871 609 HB2 ASP 76 1HB ASP 76 -6.030 -4.237 -8.833 610 HB3 ASP 76 2HB ASP 76 -7.263 -4.467 -7.604 611 H ALA 77 H ALA 77 -8.976 -1.547 -8.943 612 HA ALA 77 HA ALA 77 -10.064 -0.289 -6.700 613 HB1 ALA 77 3HB ALA 77 -12.124 -0.101 -8.006 614 HB2 ALA 77 1HB ALA 77 -11.500 -1.281 -9.159 615 HB3 ALA 77 2HB ALA 77 -10.707 0.285 -8.985 616 H ASP 78 H ASP 78 -10.072 -3.525 -7.666 617 HA ASP 78 HA ASP 78 -12.315 -4.686 -6.438 618 HB2 ASP 78 1HB ASP 78 -10.663 -5.895 -7.869 619 HB3 ASP 78 2HB ASP 78 -9.530 -5.866 -6.526 620 H ALA 79 H ALA 79 -9.320 -3.612 -5.090 621 HA ALA 79 HA ALA 79 -9.400 -4.855 -2.574 622 HB1 ALA 79 3HB ALA 79 -7.397 -3.925 -3.563 623 HB2 ALA 79 1HB ALA 79 -7.690 -3.276 -1.952 624 HB3 ALA 79 2HB ALA 79 -8.059 -2.303 -3.375 625 H ARG 80 H ARG 80 -11.066 -2.095 -3.765 626 HA ARG 80 HA ARG 80 -11.400 -0.606 -1.361 627 HB2 ARG 80 1HB ARG 80 -13.285 -0.711 -3.715 628 HB3 ARG 80 2HB ARG 80 -13.130 0.593 -2.547 629 HG2 ARG 80 1HG ARG 80 -10.945 1.145 -3.359 630 HG3 ARG 80 2HG ARG 80 -10.934 -0.271 -4.412 631 HD2 ARG 80 1HD ARG 80 -11.438 1.491 -5.816 632 HD3 ARG 80 2HD ARG 80 -12.984 0.726 -5.518 633 HE ARG 80 HE ARG 80 -11.990 3.245 -4.360 634 HH11 ARG 80 1HH1 ARG 80 -14.816 1.140 -4.822 635 HH12 ARG 80 2HH1 ARG 80 -15.936 2.390 -4.530 636 HH21 ARG 80 1HH2 ARG 80 -13.460 4.864 -4.074 637 HH22 ARG 80 2HH2 ARG 80 -15.158 4.609 -4.075 638 H ARG 81 H ARG 81 -12.875 -3.431 -2.614 639 HA ARG 81 HA ARG 81 -15.337 -3.420 -1.213 640 HB2 ARG 81 1HB ARG 81 -13.728 -5.750 -2.268 641 HB3 ARG 81 2HB ARG 81 -15.412 -5.821 -1.775 642 HG2 ARG 81 1HG ARG 81 -14.350 -4.140 -4.043 643 HG3 ARG 81 2HG ARG 81 -15.072 -5.736 -4.229 644 HD2 ARG 81 1HD ARG 81 -16.457 -3.339 -3.035 645 HD3 ARG 81 2HD ARG 81 -16.650 -3.893 -4.696 646 HE ARG 81 HE ARG 81 -17.163 -6.028 -2.991 647 HH11 ARG 81 1HH1 ARG 81 -18.609 -2.912 -3.855 648 HH12 ARG 81 2HH1 ARG 81 -20.199 -3.381 -3.521 649 HH21 ARG 81 1HH2 ARG 81 -19.331 -6.712 -2.553 650 HH22 ARG 81 2HH2 ARG 81 -20.626 -5.606 -2.738 651 H ALA 82 H ALA 82 -12.139 -3.861 -0.141 652 HA ALA 82 HA ALA 82 -12.875 -5.494 2.155 653 HB1 ALA 82 3HB ALA 82 -10.227 -4.293 1.361 654 HB2 ALA 82 1HB ALA 82 -10.751 -5.944 1.030 655 HB3 ALA 82 2HB ALA 82 -10.490 -5.413 2.694 656 H VAL 83 H VAL 83 -12.763 -2.254 1.310 657 HA VAL 83 HA VAL 83 -12.309 -1.316 4.058 658 HB VAL 83 HB VAL 83 -12.513 0.255 1.464 659 HG11 VAL 83 1HG1 VAL 83 -11.831 1.211 4.248 660 HG12 VAL 83 2HG1 VAL 83 -13.292 1.600 3.339 661 HG13 VAL 83 3HG1 VAL 83 -11.726 2.185 2.780 662 HG21 VAL 83 3HG2 VAL 83 -10.130 -0.391 3.192 663 HG22 VAL 83 1HG2 VAL 83 -10.122 0.660 1.774 664 HG23 VAL 83 2HG2 VAL 83 -10.483 -1.059 1.599 665 H ALA 84 H ALA 84 -14.619 -1.236 1.409 666 HA ALA 84 HA ALA 84 -16.731 -0.672 3.323 667 HB1 ALA 84 3HB ALA 84 -16.201 1.458 2.241 668 HB2 ALA 84 1HB ALA 84 -17.774 0.866 1.704 669 HB3 ALA 84 2HB ALA 84 -16.364 0.703 0.656 670 H SER 85 H SER 85 -18.753 -1.470 2.594 671 HA SER 85 HA SER 85 -20.072 -3.098 1.907 672 HB2 SER 85 1HB SER 85 -20.069 -3.581 -0.627 673 HB3 SER 85 2HB SER 85 -20.369 -1.921 -0.121 674 HG SER 85 HG SER 85 -17.733 -2.451 -0.491 675 H HIS 86 H HIS 86 -17.672 -3.905 3.099 676 HA HIS 86 HA HIS 86 -16.793 -6.326 1.833 677 HB2 HIS 86 1HB HIS 86 -15.399 -4.889 3.428 678 HB3 HIS 86 2HB HIS 86 -16.435 -5.473 4.726 679 HD1 HIS 86 HD1 HIS 86 -15.517 -7.476 5.917 680 HD2 HIS 86 HD2 HIS 86 -14.093 -7.179 2.030 681 HE1 HIS 86 HE1 HIS 86 -13.782 -9.299 5.656 682 H ASP 87 H ASP 87 -17.360 -8.460 2.614 683 HA ASP 87 HA ASP 87 -19.931 -8.401 4.026 684 HB2 ASP 87 1HB ASP 87 -19.788 -9.072 1.483 685 HB3 ASP 87 2HB ASP 87 -19.240 -10.615 2.144 686 H GLU 88 H GLU 88 -20.350 -10.869 4.712 687 HA GLU 88 HA GLU 88 -18.097 -11.400 6.479 688 HB2 GLU 88 1HB GLU 88 -20.252 -10.836 7.548 689 HB3 GLU 88 2HB GLU 88 -21.001 -12.196 6.727 690 HG2 GLU 88 1HG GLU 88 -19.658 -13.746 7.973 691 HG3 GLU 88 2HG GLU 88 -18.751 -12.424 8.704 692 H LEU 89 H LEU 89 -16.840 -12.781 5.510 693 HA LEU 89 HA LEU 89 -18.043 -15.100 4.257 694 HB2 LEU 89 1HB LEU 89 -15.995 -15.356 2.920 695 HB3 LEU 89 2HB LEU 89 -16.814 -13.856 2.592 696 HG LEU 89 HG LEU 89 -14.373 -13.997 4.375 697 HD11 LEU 89 1HD1 LEU 89 -14.511 -13.506 1.404 698 HD12 LEU 89 2HD1 LEU 89 -13.812 -14.924 2.192 699 HD13 LEU 89 3HD1 LEU 89 -13.078 -13.339 2.415 700 HD21 LEU 89 3HD2 LEU 89 -15.600 -11.745 2.771 701 HD22 LEU 89 1HD2 LEU 89 -14.146 -11.637 3.760 702 HD23 LEU 89 2HD2 LEU 89 -15.706 -11.927 4.521 Start of MODEL 12 1 H1 MET 1 1H MET 1 -21.488 -14.826 0.654 2 H2 MET 1 2H MET 1 -20.997 -15.007 -0.941 3 H3 MET 1 3H MET 1 -20.247 -13.889 0.019 4 HA MET 1 HA MET 1 -19.329 -15.638 1.408 5 HB2 MET 1 1HB MET 1 -20.589 -17.466 -0.658 6 HB3 MET 1 2HB MET 1 -19.485 -17.979 0.600 7 HG2 MET 1 1HG MET 1 -21.136 -17.339 2.288 8 HG3 MET 1 2HG MET 1 -22.241 -16.843 1.007 9 HE1 MET 1 3HE MET 1 -23.953 -20.113 2.272 10 HE2 MET 1 1HE MET 1 -24.151 -18.397 1.923 11 HE3 MET 1 2HE MET 1 -23.117 -18.913 3.256 12 H GLU 2 H GLU 2 -17.424 -14.791 0.804 13 HA GLU 2 HA GLU 2 -16.404 -15.542 -1.830 14 HB2 GLU 2 1HB GLU 2 -16.132 -12.889 -0.425 15 HB3 GLU 2 2HB GLU 2 -15.249 -13.343 -1.873 16 HG2 GLU 2 1HG GLU 2 -17.315 -13.505 -3.117 17 HG3 GLU 2 2HG GLU 2 -18.243 -13.161 -1.661 18 HA PRO 3 HA PRO 3 -12.988 -16.975 0.653 19 HB2 PRO 3 1HB PRO 3 -11.035 -16.829 -1.302 20 HB3 PRO 3 2HB PRO 3 -12.142 -18.188 -1.120 21 HG2 PRO 3 1HG PRO 3 -12.247 -15.897 -3.015 22 HG3 PRO 3 2HG PRO 3 -12.697 -17.590 -3.278 23 HD2 PRO 3 1HD PRO 3 -14.520 -15.626 -2.882 24 HD3 PRO 3 2HD PRO 3 -14.790 -17.300 -2.358 25 HA PRO 4 HA PRO 4 -11.179 -13.219 2.180 26 HB2 PRO 4 1HB PRO 4 -8.687 -14.242 2.920 27 HB3 PRO 4 2HB PRO 4 -10.142 -14.276 3.919 28 HG2 PRO 4 1HG PRO 4 -8.989 -16.405 2.171 29 HG3 PRO 4 2HG PRO 4 -9.747 -16.555 3.767 30 HD2 PRO 4 1HD PRO 4 -11.067 -17.225 1.558 31 HD3 PRO 4 2HD PRO 4 -11.899 -16.390 2.889 32 HA PRO 5 HA PRO 5 -8.850 -12.123 -1.555 33 HB2 PRO 5 1HB PRO 5 -9.263 -9.362 -0.670 34 HB3 PRO 5 2HB PRO 5 -9.847 -10.151 -2.135 35 HG2 PRO 5 1HG PRO 5 -11.509 -9.437 -0.132 36 HG3 PRO 5 2HG PRO 5 -11.790 -10.870 -1.134 37 HD2 PRO 5 1HD PRO 5 -10.626 -10.690 1.621 38 HD3 PRO 5 2HD PRO 5 -11.806 -11.846 0.951 39 H LYS 6 H LYS 6 -6.768 -11.541 -1.858 40 HA LYS 6 HA LYS 6 -5.322 -10.477 0.442 41 HB2 LYS 6 1HB LYS 6 -3.279 -11.551 -0.536 42 HB3 LYS 6 2HB LYS 6 -4.514 -12.694 -0.032 43 HG2 LYS 6 1HG LYS 6 -5.206 -12.906 -2.412 44 HG3 LYS 6 2HG LYS 6 -3.864 -11.845 -2.848 45 HD2 LYS 6 1HD LYS 6 -3.213 -14.167 -3.174 46 HD3 LYS 6 2HD LYS 6 -2.285 -13.467 -1.849 47 HE2 LYS 6 1HE LYS 6 -3.791 -14.534 -0.227 48 HE3 LYS 6 2HE LYS 6 -4.737 -15.210 -1.552 49 HZ1 LYS 6 3HZ LYS 6 -1.901 -15.834 -0.915 50 HZ2 LYS 6 1HZ LYS 6 -2.773 -16.480 -2.211 51 HZ3 LYS 6 2HZ LYS 6 -3.229 -16.833 -0.642 52 H LEU 7 H LEU 7 -4.143 -8.660 0.171 53 HA LEU 7 HA LEU 7 -4.882 -7.212 -2.234 54 HB2 LEU 7 1HB LEU 7 -3.599 -6.169 0.275 55 HB3 LEU 7 2HB LEU 7 -4.380 -5.228 -0.980 56 HG LEU 7 HG LEU 7 -5.708 -7.059 1.015 57 HD11 LEU 7 1HD1 LEU 7 -5.874 -4.093 0.622 58 HD12 LEU 7 2HD1 LEU 7 -5.057 -4.935 1.938 59 HD13 LEU 7 3HD1 LEU 7 -6.812 -5.029 1.782 60 HD21 LEU 7 3HD2 LEU 7 -6.867 -7.274 -1.115 61 HD22 LEU 7 1HD2 LEU 7 -6.961 -5.517 -1.257 62 HD23 LEU 7 2HD2 LEU 7 -7.843 -6.349 0.023 63 H VAL 8 H VAL 8 -3.496 -7.105 -3.811 64 HA VAL 8 HA VAL 8 -0.698 -7.669 -3.316 65 HB VAL 8 HB VAL 8 -2.227 -7.480 -5.926 66 HG11 VAL 8 1HG1 VAL 8 0.141 -6.896 -6.226 67 HG12 VAL 8 2HG1 VAL 8 -0.225 -8.465 -6.952 68 HG13 VAL 8 3HG1 VAL 8 0.602 -8.382 -5.396 69 HG21 VAL 8 3HG2 VAL 8 -1.164 -9.861 -4.426 70 HG22 VAL 8 1HG2 VAL 8 -1.968 -9.899 -5.996 71 HG23 VAL 8 2HG2 VAL 8 -2.857 -9.389 -4.553 72 H LEU 9 H LEU 9 0.541 -6.078 -2.926 73 HA LEU 9 HA LEU 9 0.144 -3.451 -4.151 74 HB2 LEU 9 1HB LEU 9 0.385 -3.566 -1.694 75 HB3 LEU 9 2HB LEU 9 1.909 -4.398 -1.882 76 HG LEU 9 HG LEU 9 2.860 -2.360 -2.932 77 HD11 LEU 9 1HD1 LEU 9 0.228 -1.125 -2.167 78 HD12 LEU 9 2HD1 LEU 9 0.829 -1.385 -3.806 79 HD13 LEU 9 3HD1 LEU 9 1.650 -0.252 -2.734 80 HD21 LEU 9 3HD2 LEU 9 1.655 -1.960 -0.194 81 HD22 LEU 9 1HD2 LEU 9 3.007 -1.049 -0.868 82 HD23 LEU 9 2HD2 LEU 9 3.179 -2.775 -0.554 83 H ASP 10 H ASP 10 1.419 -2.968 -5.836 84 HA ASP 10 HA ASP 10 3.592 -4.790 -6.548 85 HB2 ASP 10 1HB ASP 10 1.822 -3.866 -8.236 86 HB3 ASP 10 2HB ASP 10 2.718 -2.379 -8.094 87 H LEU 11 H LEU 11 5.538 -4.347 -5.860 88 HA LEU 11 HA LEU 11 6.125 -1.806 -4.650 89 HB2 LEU 11 1HB LEU 11 7.853 -4.244 -4.974 90 HB3 LEU 11 2HB LEU 11 8.212 -2.862 -3.958 91 HG LEU 11 HG LEU 11 5.939 -4.812 -3.573 92 HD11 LEU 11 1HD1 LEU 11 8.094 -5.752 -3.027 93 HD12 LEU 11 2HD1 LEU 11 7.158 -5.460 -1.562 94 HD13 LEU 11 3HD1 LEU 11 8.463 -4.363 -2.013 95 HD21 LEU 11 3HD2 LEU 11 6.767 -2.441 -1.896 96 HD22 LEU 11 1HD2 LEU 11 5.546 -3.635 -1.460 97 HD23 LEU 11 2HD2 LEU 11 5.281 -2.577 -2.843 98 H GLU 12 H GLU 12 6.621 -3.241 -7.705 99 HA GLU 12 HA GLU 12 9.020 -1.762 -8.336 100 HB2 GLU 12 1HB GLU 12 7.147 -3.178 -10.221 101 HB3 GLU 12 2HB GLU 12 8.820 -2.727 -10.521 102 HG2 GLU 12 1HG GLU 12 9.443 -4.293 -8.648 103 HG3 GLU 12 2HG GLU 12 7.773 -4.849 -8.695 104 H ARG 13 H ARG 13 5.631 -1.726 -9.068 105 HA ARG 13 HA ARG 13 5.523 0.580 -10.692 106 HB2 ARG 13 1HB ARG 13 3.729 -1.205 -10.195 107 HB3 ARG 13 2HB ARG 13 3.405 -0.298 -8.737 108 HG2 ARG 13 1HG ARG 13 1.788 0.366 -10.318 109 HG3 ARG 13 2HG ARG 13 2.945 1.696 -10.223 110 HD2 ARG 13 1HD ARG 13 3.128 -0.475 -12.290 111 HD3 ARG 13 2HD ARG 13 2.176 0.985 -12.548 112 HE ARG 13 HE ARG 13 4.211 2.238 -12.370 113 HH11 ARG 13 1HH1 ARG 13 4.727 -1.256 -12.744 114 HH12 ARG 13 2HH1 ARG 13 6.112 -1.122 -13.697 115 HH21 ARG 13 1HH2 ARG 13 6.144 2.439 -13.746 116 HH22 ARG 13 2HH2 ARG 13 6.927 1.037 -14.306 117 H LEU 14 H LEU 14 5.376 -0.023 -7.260 118 HA LEU 14 HA LEU 14 4.803 2.552 -6.300 119 HB2 LEU 14 1HB LEU 14 4.552 0.485 -5.010 120 HB3 LEU 14 2HB LEU 14 6.288 0.277 -5.017 121 HG LEU 14 HG LEU 14 6.523 2.322 -3.670 122 HD11 LEU 14 1HD1 LEU 14 4.509 3.478 -4.407 123 HD12 LEU 14 2HD1 LEU 14 4.558 3.317 -2.658 124 HD13 LEU 14 3HD1 LEU 14 3.510 2.260 -3.606 125 HD21 LEU 14 3HD2 LEU 14 4.624 0.297 -2.491 126 HD22 LEU 14 1HD2 LEU 14 5.712 1.363 -1.602 127 HD23 LEU 14 2HD2 LEU 14 6.373 0.095 -2.633 128 H ALA 15 H ALA 15 7.742 1.046 -7.326 129 HA ALA 15 HA ALA 15 9.478 2.977 -6.114 130 HB1 ALA 15 3HB ALA 15 11.255 1.895 -7.403 131 HB2 ALA 15 1HB ALA 15 10.048 0.991 -8.318 132 HB3 ALA 15 2HB ALA 15 10.249 0.696 -6.592 133 H THR 16 H THR 16 7.439 3.011 -8.764 134 HA THR 16 HA THR 16 9.058 4.932 -10.248 135 HB THR 16 HB THR 16 6.340 3.868 -11.059 136 HG1 THR 16 HG1 THR 16 8.087 2.215 -10.490 137 HG21 THR 16 3HG2 THR 16 7.295 5.716 -12.380 138 HG22 THR 16 1HG2 THR 16 7.265 4.227 -13.325 139 HG23 THR 16 2HG2 THR 16 8.776 4.788 -12.615 140 H VAL 17 H VAL 17 6.980 4.906 -7.715 141 HA VAL 17 HA VAL 17 5.528 7.318 -8.456 142 HB VAL 17 HB VAL 17 5.265 5.529 -6.007 143 HG11 VAL 17 1HG1 VAL 17 3.510 7.821 -6.908 144 HG12 VAL 17 2HG1 VAL 17 4.589 7.833 -5.514 145 HG13 VAL 17 3HG1 VAL 17 3.188 6.760 -5.536 146 HG21 VAL 17 3HG2 VAL 17 4.540 4.420 -8.051 147 HG22 VAL 17 1HG2 VAL 17 3.473 5.773 -8.422 148 HG23 VAL 17 2HG2 VAL 17 3.169 4.766 -7.002 149 HA PRO 18 HA PRO 18 8.584 10.060 -6.695 150 HB2 PRO 18 1HB PRO 18 5.999 11.172 -5.653 151 HB3 PRO 18 2HB PRO 18 7.411 12.044 -6.269 152 HG2 PRO 18 1HG PRO 18 5.327 11.622 -7.847 153 HG3 PRO 18 2HG PRO 18 6.978 11.473 -8.472 154 HD2 PRO 18 1HD PRO 18 4.988 9.351 -7.930 155 HD3 PRO 18 2HD PRO 18 6.381 9.337 -9.026 156 H ALA 19 H ALA 19 9.716 9.943 -4.933 157 HA ALA 19 HA ALA 19 9.141 8.231 -2.796 158 HB1 ALA 19 3HB ALA 19 11.237 9.004 -1.833 159 HB2 ALA 19 1HB ALA 19 11.260 10.368 -2.949 160 HB3 ALA 19 2HB ALA 19 11.413 8.727 -3.566 161 H GLU 20 H GLU 20 8.367 11.542 -3.228 162 HA GLU 20 HA GLU 20 8.086 12.347 -0.546 163 HB2 GLU 20 1HB GLU 20 7.951 13.819 -2.589 164 HB3 GLU 20 2HB GLU 20 6.339 13.181 -2.869 165 HG2 GLU 20 1HG GLU 20 6.194 15.331 -1.793 166 HG3 GLU 20 2HG GLU 20 5.630 14.078 -0.687 167 H LYS 21 H LYS 21 6.008 10.492 -2.696 168 HA LYS 21 HA LYS 21 3.919 10.343 -0.633 169 HB2 LYS 21 1HB LYS 21 3.806 9.205 -3.448 170 HB3 LYS 21 2HB LYS 21 2.489 9.390 -2.319 171 HG2 LYS 21 1HG LYS 21 2.615 11.809 -2.512 172 HG3 LYS 21 2HG LYS 21 3.991 11.660 -3.609 173 HD2 LYS 21 1HD LYS 21 2.546 10.347 -5.157 174 HD3 LYS 21 2HD LYS 21 1.180 10.651 -4.088 175 HE2 LYS 21 1HE LYS 21 1.471 13.065 -4.425 176 HE3 LYS 21 2HE LYS 21 2.823 12.743 -5.507 177 HZ1 LYS 21 3HZ LYS 21 0.908 13.141 -6.812 178 HZ2 LYS 21 1HZ LYS 21 -0.029 12.034 -5.956 179 HZ3 LYS 21 2HZ LYS 21 1.219 11.494 -6.929 180 H ALA 22 H ALA 22 6.011 8.333 -2.660 181 HA ALA 22 HA ALA 22 5.013 5.892 -1.499 182 HB1 ALA 22 3HB ALA 22 6.406 4.782 -3.117 183 HB2 ALA 22 1HB ALA 22 7.192 6.309 -3.518 184 HB3 ALA 22 2HB ALA 22 5.482 6.078 -3.881 185 H GLY 23 H GLY 23 7.413 8.037 -0.583 186 HA2 GLY 23 1HA GLY 23 9.636 6.497 0.045 187 HA3 GLY 23 2HA GLY 23 9.154 7.948 0.899 188 HA PRO 24 HA PRO 24 8.158 5.655 4.556 189 HB2 PRO 24 1HB PRO 24 5.536 6.231 5.137 190 HB3 PRO 24 2HB PRO 24 6.883 7.314 5.480 191 HG2 PRO 24 1HG PRO 24 4.976 7.348 3.173 192 HG3 PRO 24 2HG PRO 24 5.609 8.706 4.124 193 HD2 PRO 24 1HD PRO 24 6.587 8.118 1.696 194 HD3 PRO 24 2HD PRO 24 7.636 8.711 2.999 195 H LEU 25 H LEU 25 6.033 5.281 1.885 196 HA LEU 25 HA LEU 25 4.683 2.982 2.846 197 HB2 LEU 25 1HB LEU 25 3.612 4.403 1.245 198 HB3 LEU 25 2HB LEU 25 4.912 4.201 0.100 199 HG LEU 25 HG LEU 25 4.197 1.945 -0.408 200 HD11 LEU 25 1HD1 LEU 25 3.546 1.244 1.852 201 HD12 LEU 25 2HD1 LEU 25 2.258 0.936 0.683 202 HD13 LEU 25 3HD1 LEU 25 2.155 2.324 1.772 203 HD21 LEU 25 3HD2 LEU 25 1.799 3.715 -0.165 204 HD22 LEU 25 1HD2 LEU 25 2.012 2.381 -1.292 205 HD23 LEU 25 2HD2 LEU 25 2.999 3.844 -1.446 206 H GLN 26 H GLN 26 7.378 3.465 0.570 207 HA GLN 26 HA GLN 26 7.866 0.735 0.096 208 HB2 GLN 26 1HB GLN 26 9.704 3.125 0.010 209 HB3 GLN 26 2HB GLN 26 10.205 1.518 -0.489 210 HG2 GLN 26 1HG GLN 26 8.568 1.513 -2.262 211 HG3 GLN 26 2HG GLN 26 7.914 3.051 -1.700 212 HE21 GLN 26 2HE2 GLN 26 8.307 3.986 -3.712 213 HE22 GLN 26 1HE2 GLN 26 9.881 4.458 -4.203 214 H ARG 27 H ARG 27 9.009 2.926 2.563 215 HA ARG 27 HA ARG 27 10.870 1.269 3.866 216 HB2 ARG 27 1HB ARG 27 9.050 3.370 4.979 217 HB3 ARG 27 2HB ARG 27 10.351 2.634 5.897 218 HG2 ARG 27 1HG ARG 27 11.983 3.547 4.330 219 HG3 ARG 27 2HG ARG 27 10.676 4.266 3.381 220 HD2 ARG 27 1HD ARG 27 11.736 5.899 4.892 221 HD3 ARG 27 2HD ARG 27 10.037 5.653 5.270 222 HE ARG 27 HE ARG 27 11.802 3.978 6.773 223 HH11 ARG 27 1HH1 ARG 27 10.295 7.221 6.694 224 HH12 ARG 27 2HH1 ARG 27 10.393 7.424 8.375 225 HH21 ARG 27 1HH2 ARG 27 11.883 4.292 9.067 226 HH22 ARG 27 2HH2 ARG 27 11.315 5.746 9.751 227 H TYR 28 H TYR 28 7.405 1.720 4.460 228 HA TYR 28 HA TYR 28 7.351 -0.173 6.557 229 HB2 TYR 28 1HB TYR 28 5.701 1.747 6.142 230 HB3 TYR 28 2HB TYR 28 4.946 0.685 4.960 231 HD1 TYR 28 HD2 TYR 28 5.827 0.995 8.526 232 HD2 TYR 28 HD1 TYR 28 3.469 -1.039 5.655 233 HE1 TYR 28 HE2 TYR 28 4.582 -0.075 10.340 234 HE2 TYR 28 HE1 TYR 28 2.201 -2.124 7.467 235 HH TYR 28 HH TYR 28 2.412 -2.659 9.708 236 H ALA 29 H ALA 29 6.773 -0.314 3.107 237 HA ALA 29 HA ALA 29 5.709 -2.897 2.932 238 HB1 ALA 29 3HB ALA 29 6.456 -2.884 0.606 239 HB2 ALA 29 1HB ALA 29 7.504 -1.506 0.937 240 HB3 ALA 29 2HB ALA 29 5.754 -1.325 1.041 241 H ALA 30 H ALA 30 9.074 -1.793 2.967 242 HA ALA 30 HA ALA 30 10.290 -4.318 2.678 243 HB1 ALA 30 3HB ALA 30 12.286 -3.265 3.671 244 HB2 ALA 30 1HB ALA 30 11.303 -1.894 4.178 245 HB3 ALA 30 2HB ALA 30 11.544 -2.217 2.461 246 H THR 31 H THR 31 9.158 -2.562 5.469 247 HA THR 31 HA THR 31 9.975 -4.325 7.485 248 HB THR 31 HB THR 31 7.601 -2.434 7.395 249 HG1 THR 31 HG1 THR 31 9.298 -1.074 7.245 250 HG21 THR 31 3HG2 THR 31 9.065 -3.622 9.766 251 HG22 THR 31 1HG2 THR 31 7.427 -4.026 9.258 252 HG23 THR 31 2HG2 THR 31 7.792 -2.406 9.859 253 H ILE 32 H ILE 32 7.021 -4.188 5.515 254 HA ILE 32 HA ILE 32 5.669 -6.312 6.793 255 HB ILE 32 HB ILE 32 5.370 -5.254 3.972 256 HG12 ILE 32 1HG1 ILE 32 3.729 -4.749 6.466 257 HG13 ILE 32 2HG1 ILE 32 4.876 -3.624 5.752 258 HG21 ILE 32 1HG2 ILE 32 3.487 -7.062 5.516 259 HG22 ILE 32 2HG2 ILE 32 4.517 -7.566 4.181 260 HG23 ILE 32 3HG2 ILE 32 3.215 -6.407 3.895 261 HD11 ILE 32 3HD1 ILE 32 2.335 -4.611 4.477 262 HD12 ILE 32 1HD1 ILE 32 3.474 -3.480 3.750 263 HD13 ILE 32 2HD1 ILE 32 2.586 -3.026 5.203 264 H GLN 33 H GLN 33 7.877 -6.242 3.993 265 HA GLN 33 HA GLN 33 7.707 -8.986 3.453 266 HB2 GLN 33 1HB GLN 33 9.988 -7.081 2.975 267 HB3 GLN 33 2HB GLN 33 10.086 -8.784 2.568 268 HG2 GLN 33 1HG GLN 33 8.039 -8.427 1.133 269 HG3 GLN 33 2HG GLN 33 8.276 -6.697 1.391 270 HE21 GLN 33 2HE2 GLN 33 10.905 -9.028 1.075 271 HE22 GLN 33 1HE2 GLN 33 11.482 -8.427 -0.428 272 H SER 34 H SER 34 9.694 -7.219 5.720 273 HA SER 34 HA SER 34 11.239 -9.383 6.582 274 HB2 SER 34 1HB SER 34 11.721 -6.995 7.092 275 HB3 SER 34 2HB SER 34 10.339 -6.972 8.180 276 HG SER 34 HG SER 34 12.701 -8.512 8.401 277 H GLN 35 H GLN 35 8.115 -8.146 7.730 278 HA GLN 35 HA GLN 35 7.596 -9.882 9.856 279 HB2 GLN 35 1HB GLN 35 5.705 -8.730 7.821 280 HB3 GLN 35 2HB GLN 35 5.184 -9.575 9.263 281 HG2 GLN 35 1HG GLN 35 6.148 -7.863 10.654 282 HG3 GLN 35 2HG GLN 35 6.802 -7.042 9.232 283 HE21 GLN 35 2HE2 GLN 35 5.606 -5.191 9.753 284 HE22 GLN 35 1HE2 GLN 35 3.898 -5.112 9.442 285 H ARG 36 H ARG 36 6.788 -10.256 6.440 286 HA ARG 36 HA ARG 36 5.653 -12.873 6.823 287 HB2 ARG 36 1HB ARG 36 6.032 -11.068 4.492 288 HB3 ARG 36 2HB ARG 36 5.767 -12.769 4.192 289 HG2 ARG 36 1HG ARG 36 3.696 -11.606 4.001 290 HG3 ARG 36 2HG ARG 36 3.645 -12.621 5.431 291 HD2 ARG 36 1HD ARG 36 3.933 -10.685 6.858 292 HD3 ARG 36 2HD ARG 36 4.164 -9.639 5.446 293 HE ARG 36 HE ARG 36 1.771 -11.074 5.211 294 HH11 ARG 36 1HH1 ARG 36 2.890 -8.355 7.282 295 HH12 ARG 36 2HH1 ARG 36 1.379 -7.575 7.183 296 HH21 ARG 36 1HH2 ARG 36 -0.202 -9.984 5.161 297 HH22 ARG 36 2HH2 ARG 36 -0.402 -8.495 6.001 298 H GLY 37 H GLY 37 8.818 -11.829 6.509 299 HA2 GLY 37 1HA GLY 37 10.801 -12.859 5.922 300 HA3 GLY 37 2HA GLY 37 9.929 -14.395 6.017 301 H ASP 38 H ASP 38 9.182 -11.655 4.042 302 HA ASP 38 HA ASP 38 8.835 -13.405 1.762 303 HB2 ASP 38 1HB ASP 38 7.064 -11.759 2.410 304 HB3 ASP 38 2HB ASP 38 8.184 -10.466 1.988 305 H TYR 39 H TYR 39 9.657 -12.941 -0.235 306 HA TYR 39 HA TYR 39 12.195 -11.485 -0.319 307 HB2 TYR 39 1HB TYR 39 13.062 -13.588 -1.533 308 HB3 TYR 39 2HB TYR 39 12.933 -13.648 0.225 309 HD1 TYR 39 HD2 TYR 39 11.197 -14.655 -2.908 310 HD2 TYR 39 HD1 TYR 39 11.586 -15.267 1.278 311 HE1 TYR 39 HE2 TYR 39 9.713 -16.622 -3.061 312 HE2 TYR 39 HE1 TYR 39 10.108 -17.214 1.146 313 HH TYR 39 HH TYR 39 9.180 -18.606 -1.831 314 H ASN 40 H ASN 40 9.346 -11.241 -1.545 315 HA ASN 40 HA ASN 40 9.726 -11.959 -4.287 316 HB2 ASN 40 1HB ASN 40 7.624 -10.184 -3.027 317 HB3 ASN 40 2HB ASN 40 7.657 -10.625 -4.724 318 HD21 ASN 40 2HD2 ASN 40 5.600 -11.052 -2.884 319 HD22 ASN 40 1HD2 ASN 40 5.325 -12.748 -2.723 320 H GLY 41 H GLY 41 9.265 -8.751 -2.773 321 HA2 GLY 41 1HA GLY 41 10.396 -6.778 -3.238 322 HA3 GLY 41 2HA GLY 41 11.422 -7.669 -4.354 323 H LYS 42 H LYS 42 8.795 -8.664 -5.530 324 HA LYS 42 HA LYS 42 8.395 -6.406 -7.341 325 HB2 LYS 42 1HB LYS 42 7.617 -9.311 -7.628 326 HB3 LYS 42 2HB LYS 42 7.184 -8.065 -8.783 327 HG2 LYS 42 1HG LYS 42 9.581 -7.614 -9.132 328 HG3 LYS 42 2HG LYS 42 9.963 -8.974 -8.073 329 HD2 LYS 42 1HD LYS 42 8.326 -9.150 -10.606 330 HD3 LYS 42 2HD LYS 42 10.045 -9.507 -10.510 331 HE2 LYS 42 1HE LYS 42 9.539 -11.286 -8.875 332 HE3 LYS 42 2HE LYS 42 7.818 -10.948 -9.061 333 HZ1 LYS 42 3HZ LYS 42 8.017 -11.533 -11.410 334 HZ2 LYS 42 1HZ LYS 42 8.482 -12.808 -10.423 335 HZ3 LYS 42 2HZ LYS 42 9.648 -11.887 -11.211 336 H VAL 43 H VAL 43 6.355 -8.909 -5.850 337 HA VAL 43 HA VAL 43 4.347 -6.835 -5.471 338 HB VAL 43 HB VAL 43 2.586 -8.591 -5.740 339 HG11 VAL 43 1HG1 VAL 43 3.057 -7.080 -7.576 340 HG12 VAL 43 2HG1 VAL 43 2.668 -8.682 -8.203 341 HG13 VAL 43 3HG1 VAL 43 4.347 -8.142 -8.144 342 HG21 VAL 43 3HG2 VAL 43 3.144 -10.690 -6.903 343 HG22 VAL 43 1HG2 VAL 43 3.939 -10.588 -5.331 344 HG23 VAL 43 2HG2 VAL 43 4.857 -10.282 -6.804 345 H LEU 44 H LEU 44 3.325 -6.803 -3.580 346 HA LEU 44 HA LEU 44 4.253 -8.697 -1.544 347 HB2 LEU 44 1HB LEU 44 5.226 -6.473 -1.286 348 HB3 LEU 44 2HB LEU 44 3.633 -5.753 -1.319 349 HG LEU 44 HG LEU 44 3.112 -6.920 0.807 350 HD11 LEU 44 1HD1 LEU 44 4.950 -7.884 2.106 351 HD12 LEU 44 2HD1 LEU 44 6.023 -7.689 0.720 352 HD13 LEU 44 3HD1 LEU 44 4.649 -8.789 0.624 353 HD21 LEU 44 3HD2 LEU 44 5.566 -5.176 0.856 354 HD22 LEU 44 1HD2 LEU 44 4.457 -5.456 2.200 355 HD23 LEU 44 2HD2 LEU 44 3.896 -4.609 0.759 356 H SER 45 H SER 45 2.664 -9.775 -0.596 357 HA SER 45 HA SER 45 -0.094 -9.007 -1.111 358 HB2 SER 45 1HB SER 45 0.588 -11.325 -1.607 359 HB3 SER 45 2HB SER 45 1.101 -11.535 0.064 360 HG SER 45 HG SER 45 -0.970 -12.388 -0.421 361 H ILE 46 H ILE 46 -1.117 -7.870 0.364 362 HA ILE 46 HA ILE 46 -0.431 -8.234 3.196 363 HB ILE 46 HB ILE 46 -0.968 -5.862 3.616 364 HG12 ILE 46 1HG1 ILE 46 -1.165 -5.624 0.590 365 HG13 ILE 46 2HG1 ILE 46 -2.477 -5.453 1.751 366 HG21 ILE 46 1HG2 ILE 46 1.180 -6.257 1.554 367 HG22 ILE 46 2HG2 ILE 46 1.327 -6.490 3.298 368 HG23 ILE 46 3HG2 ILE 46 1.048 -4.870 2.641 369 HD11 ILE 46 3HD1 ILE 46 -1.453 -3.447 2.651 370 HD12 ILE 46 1HD1 ILE 46 -1.708 -3.295 0.912 371 HD13 ILE 46 2HD1 ILE 46 -0.094 -3.628 1.543 372 H ARG 47 H ARG 47 -2.283 -7.463 4.639 373 HA ARG 47 HA ARG 47 -4.773 -8.299 3.396 374 HB2 ARG 47 1HB ARG 47 -3.781 -8.601 6.197 375 HB3 ARG 47 2HB ARG 47 -5.443 -8.926 5.700 376 HG2 ARG 47 1HG ARG 47 -4.771 -10.623 4.198 377 HG3 ARG 47 2HG ARG 47 -3.069 -10.207 4.406 378 HD2 ARG 47 1HD ARG 47 -3.510 -12.136 5.606 379 HD3 ARG 47 2HD ARG 47 -3.276 -10.777 6.729 380 HE ARG 47 HE ARG 47 -5.974 -11.707 6.016 381 HH11 ARG 47 1HH1 ARG 47 -3.594 -11.032 8.545 382 HH12 ARG 47 2HH1 ARG 47 -4.572 -11.590 9.815 383 HH21 ARG 47 1HH2 ARG 47 -7.316 -12.481 7.769 384 HH22 ARG 47 2HH2 ARG 47 -6.695 -12.502 9.361 385 H GLN 48 H GLN 48 -6.698 -7.359 4.852 386 HA GLN 48 HA GLN 48 -6.610 -4.572 4.457 387 HB2 GLN 48 1HB GLN 48 -8.888 -4.523 5.409 388 HB3 GLN 48 2HB GLN 48 -8.703 -5.768 4.188 389 HG2 GLN 48 1HG GLN 48 -8.384 -7.411 6.061 390 HG3 GLN 48 2HG GLN 48 -8.837 -6.120 7.169 391 HE21 GLN 48 2HE2 GLN 48 -9.899 -8.216 4.657 392 HE22 GLN 48 1HE2 GLN 48 -11.606 -8.006 4.909 393 H ASP 49 H ASP 49 -6.083 -6.540 7.289 394 HA ASP 49 HA ASP 49 -6.208 -4.387 9.145 395 HB2 ASP 49 1HB ASP 49 -5.238 -5.848 10.790 396 HB3 ASP 49 2HB ASP 49 -6.325 -6.828 9.822 397 H ASP 50 H ASP 50 -3.760 -5.539 7.001 398 HA ASP 50 HA ASP 50 -1.641 -4.055 8.225 399 HB2 ASP 50 1HB ASP 50 -1.882 -5.079 5.382 400 HB3 ASP 50 2HB ASP 50 -0.450 -4.300 6.023 401 H LEU 51 H LEU 51 -3.587 -3.649 5.349 402 HA LEU 51 HA LEU 51 -2.576 -1.188 4.566 403 HB2 LEU 51 1HB LEU 51 -3.967 -2.769 3.211 404 HB3 LEU 51 2HB LEU 51 -5.376 -2.165 4.060 405 HG LEU 51 HG LEU 51 -4.861 0.108 3.178 406 HD11 LEU 51 1HD1 LEU 51 -2.487 -0.159 2.744 407 HD12 LEU 51 2HD1 LEU 51 -3.334 0.284 1.264 408 HD13 LEU 51 3HD1 LEU 51 -2.831 -1.384 1.521 409 HD21 LEU 51 3HD2 LEU 51 -5.263 -2.040 1.105 410 HD22 LEU 51 1HD2 LEU 51 -5.690 -0.338 0.933 411 HD23 LEU 51 2HD2 LEU 51 -6.517 -1.343 2.128 412 H ARG 52 H ARG 52 -5.218 -1.898 6.827 413 HA ARG 52 HA ARG 52 -6.169 0.745 7.025 414 HB2 ARG 52 1HB ARG 52 -7.418 0.063 8.962 415 HB3 ARG 52 2HB ARG 52 -7.381 -1.288 7.833 416 HG2 ARG 52 1HG ARG 52 -5.652 -2.365 9.167 417 HG3 ARG 52 2HG ARG 52 -5.681 -1.014 10.294 418 HD2 ARG 52 1HD ARG 52 -8.052 -1.485 10.780 419 HD3 ARG 52 2HD ARG 52 -7.983 -2.863 9.689 420 HE ARG 52 HE ARG 52 -5.946 -3.260 11.460 421 HH11 ARG 52 1HH1 ARG 52 -9.440 -2.797 11.822 422 HH12 ARG 52 2HH1 ARG 52 -9.561 -3.763 13.216 423 HH21 ARG 52 1HH2 ARG 52 -6.134 -4.629 13.338 424 HH22 ARG 52 2HH2 ARG 52 -7.650 -4.856 14.071 425 H THR 53 H THR 53 -3.470 -0.866 8.475 426 HA THR 53 HA THR 53 -3.000 0.982 10.571 427 HB THR 53 HB THR 53 -1.149 -1.019 9.234 428 HG1 THR 53 HG1 THR 53 -2.638 -2.313 10.107 429 HG21 THR 53 3HG2 THR 53 -0.994 0.286 11.968 430 HG22 THR 53 1HG2 THR 53 0.067 0.633 10.603 431 HG23 THR 53 2HG2 THR 53 0.104 -0.956 11.361 432 H LEU 54 H LEU 54 -1.945 0.589 7.242 433 HA LEU 54 HA LEU 54 0.079 2.546 7.213 434 HB2 LEU 54 1HB LEU 54 -1.585 1.345 5.019 435 HB3 LEU 54 2HB LEU 54 -0.476 2.654 4.683 436 HG LEU 54 HG LEU 54 1.400 1.224 5.477 437 HD11 LEU 54 1HD1 LEU 54 1.068 -1.158 5.729 438 HD12 LEU 54 2HD1 LEU 54 -0.676 -0.937 5.591 439 HD13 LEU 54 3HD1 LEU 54 0.197 -0.248 6.961 440 HD21 LEU 54 3HD2 LEU 54 -0.265 0.027 3.282 441 HD22 LEU 54 1HD2 LEU 54 1.458 -0.239 3.559 442 HD23 LEU 54 2HD2 LEU 54 0.874 1.370 3.130 443 H ALA 55 H ALA 55 -3.352 2.748 6.821 444 HA ALA 55 HA ALA 55 -3.621 5.330 5.795 445 HB1 ALA 55 3HB ALA 55 -5.428 3.919 7.757 446 HB2 ALA 55 1HB ALA 55 -5.477 3.728 6.006 447 HB3 ALA 55 2HB ALA 55 -5.873 5.286 6.736 448 H VAL 56 H VAL 56 -3.270 4.224 9.116 449 HA VAL 56 HA VAL 56 -3.649 6.757 10.335 450 HB VAL 56 HB VAL 56 -2.157 4.348 11.422 451 HG11 VAL 56 1HG1 VAL 56 -3.432 6.667 12.873 452 HG12 VAL 56 2HG1 VAL 56 -1.706 6.366 12.704 453 HG13 VAL 56 3HG1 VAL 56 -2.707 5.255 13.637 454 HG21 VAL 56 3HG2 VAL 56 -4.276 3.733 12.513 455 HG22 VAL 56 1HG2 VAL 56 -4.416 3.720 10.755 456 HG23 VAL 56 2HG2 VAL 56 -5.082 5.064 11.684 457 H ILE 57 H ILE 57 -0.883 4.993 9.144 458 HA ILE 57 HA ILE 57 1.163 6.600 10.259 459 HB ILE 57 HB ILE 57 1.351 5.023 7.675 460 HG12 ILE 57 1HG1 ILE 57 1.839 4.073 10.514 461 HG13 ILE 57 2HG1 ILE 57 0.482 3.629 9.477 462 HG21 ILE 57 1HG2 ILE 57 3.742 4.861 8.251 463 HG22 ILE 57 2HG2 ILE 57 3.459 5.853 9.681 464 HG23 ILE 57 3HG2 ILE 57 3.230 6.541 8.073 465 HD11 ILE 57 3HD1 ILE 57 3.371 2.987 8.951 466 HD12 ILE 57 1HD1 ILE 57 2.013 2.547 7.919 467 HD13 ILE 57 2HD1 ILE 57 2.143 1.866 9.538 468 H TYR 58 H TYR 58 -0.553 6.717 7.146 469 HA TYR 58 HA TYR 58 1.096 8.987 6.355 470 HB2 TYR 58 1HB TYR 58 -1.119 7.728 4.713 471 HB3 TYR 58 2HB TYR 58 0.193 8.752 4.135 472 HD1 TYR 58 HD2 TYR 58 2.457 7.418 5.705 473 HD2 TYR 58 HD1 TYR 58 -0.725 5.806 3.405 474 HE1 TYR 58 HE2 TYR 58 3.751 5.366 5.360 475 HE2 TYR 58 HE1 TYR 58 0.575 3.747 3.051 476 HH TYR 58 HH TYR 58 3.366 3.045 4.858 477 H ASP 59 H ASP 59 -1.551 8.550 8.115 478 HA ASP 59 HA ASP 59 -2.961 9.943 9.176 479 HB2 ASP 59 1HB ASP 59 -0.966 11.528 9.087 480 HB3 ASP 59 2HB ASP 59 -1.692 12.229 7.652 481 H GLN 60 H GLN 60 -4.001 8.598 7.186 482 HA GLN 60 HA GLN 60 -5.929 10.461 5.991 483 HB2 GLN 60 1HB GLN 60 -4.624 8.105 4.605 484 HB3 GLN 60 2HB GLN 60 -5.960 9.042 3.958 485 HG2 GLN 60 1HG GLN 60 -4.543 11.007 3.829 486 HG3 GLN 60 2HG GLN 60 -3.212 10.111 4.556 487 HE21 GLN 60 2HE2 GLN 60 -3.386 11.449 1.979 488 HE22 GLN 60 1HE2 GLN 60 -3.018 10.241 0.800 489 H SER 61 H SER 61 -8.009 9.462 5.666 490 HA SER 61 HA SER 61 -8.591 7.350 7.486 491 HB2 SER 61 1HB SER 61 -10.289 8.567 5.293 492 HB3 SER 61 2HB SER 61 -10.862 7.585 6.647 493 HG SER 61 HG SER 61 -10.073 10.230 6.555 494 HA PRO 62 HA PRO 62 -7.644 3.710 5.100 495 HB2 PRO 62 1HB PRO 62 -10.486 3.037 5.776 496 HB3 PRO 62 2HB PRO 62 -9.052 1.994 5.815 497 HG2 PRO 62 1HG PRO 62 -9.942 3.045 8.065 498 HG3 PRO 62 2HG PRO 62 -8.202 3.025 7.728 499 HD2 PRO 62 1HD PRO 62 -10.106 5.321 7.660 500 HD3 PRO 62 2HD PRO 62 -8.381 5.284 8.068 501 H SER 63 H SER 63 -10.863 5.116 4.461 502 HA SER 63 HA SER 63 -11.283 3.980 1.946 503 HB2 SER 63 1HB SER 63 -12.852 5.944 1.673 504 HB3 SER 63 2HB SER 63 -13.095 4.984 3.136 505 HG SER 63 HG SER 63 -12.665 6.700 4.280 506 H VAL 64 H VAL 64 -10.027 7.173 2.781 507 HA VAL 64 HA VAL 64 -9.376 8.113 0.212 508 HB VAL 64 HB VAL 64 -7.966 8.774 2.811 509 HG11 VAL 64 1HG1 VAL 64 -6.761 9.608 0.885 510 HG12 VAL 64 2HG1 VAL 64 -7.501 10.954 1.755 511 HG13 VAL 64 3HG1 VAL 64 -8.225 10.360 0.261 512 HG21 VAL 64 3HG2 VAL 64 -10.436 10.018 1.612 513 HG22 VAL 64 1HG2 VAL 64 -9.559 10.625 3.013 514 HG23 VAL 64 2HG2 VAL 64 -10.355 9.052 3.085 515 H LEU 65 H LEU 65 -7.515 6.445 2.653 516 HA LEU 65 HA LEU 65 -5.024 6.323 1.443 517 HB2 LEU 65 1HB LEU 65 -5.570 5.756 3.798 518 HB3 LEU 65 2HB LEU 65 -6.377 4.313 3.257 519 HG LEU 65 HG LEU 65 -4.137 3.971 4.316 520 HD11 LEU 65 1HD1 LEU 65 -4.377 2.987 1.497 521 HD12 LEU 65 2HD1 LEU 65 -5.075 2.251 2.932 522 HD13 LEU 65 3HD1 LEU 65 -3.319 2.326 2.743 523 HD21 LEU 65 3HD2 LEU 65 -3.124 5.252 1.793 524 HD22 LEU 65 1HD2 LEU 65 -2.145 4.401 2.988 525 HD23 LEU 65 2HD2 LEU 65 -2.984 5.895 3.432 526 H THR 66 H THR 66 -7.782 4.103 1.191 527 HA THR 66 HA THR 66 -6.607 2.179 -0.466 528 HB THR 66 HB THR 66 -9.532 3.018 -0.456 529 HG1 THR 66 HG1 THR 66 -8.529 2.368 1.650 530 HG21 THR 66 3HG2 THR 66 -8.232 0.380 -1.175 531 HG22 THR 66 1HG2 THR 66 -8.912 1.533 -2.324 532 HG23 THR 66 2HG2 THR 66 -9.963 0.717 -1.169 533 H GLU 67 H GLU 67 -8.430 5.139 -1.259 534 HA GLU 67 HA GLU 67 -8.323 4.735 -4.037 535 HB2 GLU 67 1HB GLU 67 -8.694 7.328 -2.547 536 HB3 GLU 67 2HB GLU 67 -8.943 7.103 -4.271 537 HG2 GLU 67 1HG GLU 67 -10.652 5.349 -3.657 538 HG3 GLU 67 2HG GLU 67 -10.522 5.948 -2.005 539 H GLN 68 H GLN 68 -6.162 6.468 -1.842 540 HA GLN 68 HA GLN 68 -4.520 7.675 -3.725 541 HB2 GLN 68 1HB GLN 68 -3.963 6.585 -0.980 542 HB3 GLN 68 2HB GLN 68 -2.743 7.439 -1.911 543 HG2 GLN 68 1HG GLN 68 -5.418 8.556 -1.091 544 HG3 GLN 68 2HG GLN 68 -3.889 8.883 -0.276 545 HE21 GLN 68 2HE2 GLN 68 -2.370 9.036 -2.720 546 HE22 GLN 68 1HE2 GLN 68 -2.769 10.513 -3.492 547 H LEU 69 H LEU 69 -4.142 4.550 -2.163 548 HA LEU 69 HA LEU 69 -1.871 3.688 -3.525 549 HB2 LEU 69 1HB LEU 69 -4.078 2.322 -2.058 550 HB3 LEU 69 2HB LEU 69 -2.967 1.347 -2.985 551 HG LEU 69 HG LEU 69 -2.432 1.450 -0.558 552 HD11 LEU 69 1HD1 LEU 69 -0.063 1.853 -0.808 553 HD12 LEU 69 2HD1 LEU 69 -0.352 2.633 -2.363 554 HD13 LEU 69 3HD1 LEU 69 -0.716 0.917 -2.151 555 HD21 LEU 69 3HD2 LEU 69 -3.082 3.775 -0.116 556 HD22 LEU 69 1HD2 LEU 69 -1.738 4.333 -1.110 557 HD23 LEU 69 2HD2 LEU 69 -1.421 3.456 0.390 558 H ILE 70 H ILE 70 -5.278 3.282 -4.366 559 HA ILE 70 HA ILE 70 -4.774 1.722 -6.687 560 HB ILE 70 HB ILE 70 -7.237 3.300 -5.866 561 HG12 ILE 70 1HG1 ILE 70 -6.678 0.333 -5.799 562 HG13 ILE 70 2HG1 ILE 70 -6.550 1.394 -4.409 563 HG21 ILE 70 1HG2 ILE 70 -6.951 1.289 -8.107 564 HG22 ILE 70 2HG2 ILE 70 -7.248 3.021 -8.293 565 HG23 ILE 70 3HG2 ILE 70 -8.470 1.992 -7.549 566 HD11 ILE 70 3HD1 ILE 70 -8.643 0.153 -4.400 567 HD12 ILE 70 1HD1 ILE 70 -9.070 0.828 -5.974 568 HD13 ILE 70 2HD1 ILE 70 -8.942 1.884 -4.572 569 H SER 71 H SER 71 -5.090 5.186 -6.115 570 HA SER 71 HA SER 71 -5.241 5.973 -8.813 571 HB2 SER 71 1HB SER 71 -4.208 7.504 -6.414 572 HB3 SER 71 2HB SER 71 -4.573 8.210 -7.990 573 HG SER 71 HG SER 71 -6.414 6.859 -6.293 574 H TRP 72 H TRP 72 -2.546 5.247 -6.696 575 HA TRP 72 HA TRP 72 -0.578 6.167 -8.573 576 HB2 TRP 72 1HB TRP 72 -0.222 4.349 -6.183 577 HB3 TRP 72 2HB TRP 72 1.066 5.139 -7.082 578 HD1 TRP 72 HD1 TRP 72 -0.488 8.021 -7.211 579 HE1 TRP 72 HE1 TRP 72 -0.485 9.460 -5.086 580 HE3 TRP 72 HE3 TRP 72 0.533 4.386 -3.813 581 HZ2 TRP 72 HZ2 TRP 72 -0.063 9.099 -2.315 582 HZ3 TRP 72 HZ3 TRP 72 0.731 5.007 -1.432 583 HH2 TRP 72 HH2 TRP 72 0.438 7.307 -0.701 584 H GLY 73 H GLY 73 -2.504 3.450 -8.334 585 HA2 GLY 73 1HA GLY 73 -2.694 1.615 -9.725 586 HA3 GLY 73 2HA GLY 73 -1.340 2.245 -10.653 587 H VAL 74 H VAL 74 -0.893 1.877 -7.325 588 HA VAL 74 HA VAL 74 0.993 -0.320 -7.832 589 HB VAL 74 HB VAL 74 1.996 0.243 -5.679 590 HG11 VAL 74 1HG1 VAL 74 2.766 2.531 -6.186 591 HG12 VAL 74 2HG1 VAL 74 1.508 2.646 -7.418 592 HG13 VAL 74 3HG1 VAL 74 2.801 1.459 -7.585 593 HG21 VAL 74 3HG2 VAL 74 0.017 0.935 -4.442 594 HG22 VAL 74 1HG2 VAL 74 -0.142 2.366 -5.459 595 HG23 VAL 74 2HG2 VAL 74 1.245 2.200 -4.384 596 H LEU 75 H LEU 75 -1.991 0.366 -6.256 597 HA LEU 75 HA LEU 75 -1.924 -2.332 -5.147 598 HB2 LEU 75 1HB LEU 75 -2.264 -0.487 -3.514 599 HB3 LEU 75 2HB LEU 75 -3.685 0.007 -4.414 600 HG LEU 75 HG LEU 75 -4.725 -2.189 -3.889 601 HD11 LEU 75 1HD1 LEU 75 -2.717 -3.501 -3.506 602 HD12 LEU 75 2HD1 LEU 75 -3.774 -3.551 -2.097 603 HD13 LEU 75 3HD1 LEU 75 -2.337 -2.526 -2.085 604 HD21 LEU 75 3HD2 LEU 75 -5.231 -1.654 -1.555 605 HD22 LEU 75 1HD2 LEU 75 -5.248 -0.212 -2.569 606 HD23 LEU 75 2HD2 LEU 75 -3.869 -0.534 -1.516 607 H ASP 76 H ASP 76 -3.390 -3.696 -5.912 608 HA ASP 76 HA ASP 76 -4.689 -3.135 -8.348 609 HB2 ASP 76 1HB ASP 76 -4.009 -5.422 -7.666 610 HB3 ASP 76 2HB ASP 76 -5.257 -5.408 -6.424 611 H ALA 77 H ALA 77 -6.602 -2.334 -8.794 612 HA ALA 77 HA ALA 77 -8.056 -0.752 -7.105 613 HB1 ALA 77 3HB ALA 77 -9.792 -0.687 -8.808 614 HB2 ALA 77 1HB ALA 77 -9.123 -2.134 -9.562 615 HB3 ALA 77 2HB ALA 77 -8.188 -0.640 -9.543 616 H ASP 78 H ASP 78 -8.575 -4.098 -7.781 617 HA ASP 78 HA ASP 78 -11.085 -4.603 -6.742 618 HB2 ASP 78 1HB ASP 78 -9.720 -6.228 -7.978 619 HB3 ASP 78 2HB ASP 78 -8.674 -6.405 -6.577 620 H ALA 79 H ALA 79 -8.191 -3.858 -4.974 621 HA ALA 79 HA ALA 79 -8.663 -5.060 -2.495 622 HB1 ALA 79 3HB ALA 79 -6.546 -4.002 -3.105 623 HB2 ALA 79 1HB ALA 79 -7.155 -3.375 -1.572 624 HB3 ALA 79 2HB ALA 79 -7.323 -2.420 -3.044 625 H ARG 80 H ARG 80 -10.154 -2.325 -3.949 626 HA ARG 80 HA ARG 80 -11.125 -0.981 -1.673 627 HB2 ARG 80 1HB ARG 80 -12.638 0.162 -3.188 628 HB3 ARG 80 2HB ARG 80 -11.071 -0.021 -3.962 629 HG2 ARG 80 1HG ARG 80 -12.086 -2.124 -5.029 630 HG3 ARG 80 2HG ARG 80 -13.637 -1.433 -4.555 631 HD2 ARG 80 1HD ARG 80 -11.550 -0.125 -6.271 632 HD3 ARG 80 2HD ARG 80 -13.015 -0.863 -6.879 633 HE ARG 80 HE ARG 80 -12.858 1.534 -5.164 634 HH11 ARG 80 1HH1 ARG 80 -14.664 -0.359 -7.585 635 HH12 ARG 80 2HH1 ARG 80 -15.665 0.929 -8.046 636 HH21 ARG 80 1HH2 ARG 80 -14.237 3.327 -5.839 637 HH22 ARG 80 2HH2 ARG 80 -15.405 3.085 -7.048 638 H ARG 81 H ARG 81 -12.149 -3.893 -3.209 639 HA ARG 81 HA ARG 81 -14.788 -4.017 -2.123 640 HB2 ARG 81 1HB ARG 81 -14.368 -5.348 -4.036 641 HB3 ARG 81 2HB ARG 81 -12.930 -6.053 -3.328 642 HG2 ARG 81 1HG ARG 81 -14.271 -7.321 -1.764 643 HG3 ARG 81 2HG ARG 81 -15.734 -6.540 -2.352 644 HD2 ARG 81 1HD ARG 81 -15.408 -8.818 -3.244 645 HD3 ARG 81 2HD ARG 81 -15.493 -7.588 -4.498 646 HE ARG 81 HE ARG 81 -12.845 -7.845 -4.106 647 HH11 ARG 81 1HH1 ARG 81 -15.296 -10.405 -4.458 648 HH12 ARG 81 2HH1 ARG 81 -14.349 -11.318 -5.519 649 HH21 ARG 81 1HH2 ARG 81 -11.581 -9.142 -5.543 650 HH22 ARG 81 2HH2 ARG 81 -12.183 -10.634 -6.127 651 H ALA 82 H ALA 82 -11.638 -5.210 -1.101 652 HA ALA 82 HA ALA 82 -12.653 -6.796 1.032 653 HB1 ALA 82 3HB ALA 82 -9.849 -5.809 0.553 654 HB2 ALA 82 1HB ALA 82 -10.528 -7.308 -0.083 655 HB3 ALA 82 2HB ALA 82 -10.324 -7.099 1.657 656 H VAL 83 H VAL 83 -11.283 -3.589 0.765 657 HA VAL 83 HA VAL 83 -11.377 -3.191 3.627 658 HB VAL 83 HB VAL 83 -10.824 -1.151 1.460 659 HG11 VAL 83 1HG1 VAL 83 -10.205 -1.103 4.416 660 HG12 VAL 83 2HG1 VAL 83 -11.420 -0.137 3.587 661 HG13 VAL 83 3HG1 VAL 83 -9.710 0.121 3.244 662 HG21 VAL 83 3HG2 VAL 83 -9.239 -2.995 1.328 663 HG22 VAL 83 1HG2 VAL 83 -8.865 -2.811 3.044 664 HG23 VAL 83 2HG2 VAL 83 -8.462 -1.520 1.904 665 H ALA 84 H ALA 84 -12.954 -1.715 0.785 666 HA ALA 84 HA ALA 84 -14.817 -0.605 0.434 667 HB1 ALA 84 3HB ALA 84 -15.876 -1.899 2.956 668 HB2 ALA 84 1HB ALA 84 -15.928 -2.613 1.343 669 HB3 ALA 84 2HB ALA 84 -16.844 -1.142 1.693 670 H SER 85 H SER 85 -16.393 1.039 1.398 671 HA SER 85 HA SER 85 -15.050 2.564 3.519 672 HB2 SER 85 1HB SER 85 -16.396 3.693 1.051 673 HB3 SER 85 2HB SER 85 -15.569 4.621 2.310 674 HG SER 85 HG SER 85 -13.992 2.663 1.444 675 H HIS 86 H HIS 86 -17.560 0.751 2.938 676 HA HIS 86 HA HIS 86 -19.515 2.412 4.347 677 HB2 HIS 86 1HB HIS 86 -20.309 1.850 2.101 678 HB3 HIS 86 2HB HIS 86 -19.914 0.160 2.361 679 HD1 HIS 86 HD1 HIS 86 -22.559 2.739 3.193 680 HD2 HIS 86 HD2 HIS 86 -21.826 -1.321 3.734 681 HE1 HIS 86 HE1 HIS 86 -24.714 1.734 3.983 682 H ASP 87 H ASP 87 -20.399 1.518 6.181 683 HA ASP 87 HA ASP 87 -19.463 -1.156 6.869 684 HB2 ASP 87 1HB ASP 87 -19.343 1.282 8.610 685 HB3 ASP 87 2HB ASP 87 -19.492 -0.314 9.322 686 H GLU 88 H GLU 88 -20.738 -2.393 8.011 687 HA GLU 88 HA GLU 88 -23.263 -1.388 8.980 688 HB2 GLU 88 1HB GLU 88 -24.558 -3.249 7.935 689 HB3 GLU 88 2HB GLU 88 -23.912 -2.126 6.758 690 HG2 GLU 88 1HG GLU 88 -22.126 -3.708 6.228 691 HG3 GLU 88 2HG GLU 88 -22.765 -4.827 7.432 692 H LEU 89 H LEU 89 -21.054 -4.106 8.610 693 HA LEU 89 HA LEU 89 -20.612 -4.412 11.301 694 HB2 LEU 89 1HB LEU 89 -22.922 -5.476 11.190 695 HB3 LEU 89 2HB LEU 89 -22.264 -6.649 10.071 696 HG LEU 89 HG LEU 89 -20.716 -7.435 11.830 697 HD11 LEU 89 1HD1 LEU 89 -21.084 -6.734 14.149 698 HD12 LEU 89 2HD1 LEU 89 -22.211 -5.502 13.593 699 HD13 LEU 89 3HD1 LEU 89 -20.510 -5.410 13.142 700 HD21 LEU 89 3HD2 LEU 89 -22.843 -8.562 11.505 701 HD22 LEU 89 1HD2 LEU 89 -23.626 -7.431 12.610 702 HD23 LEU 89 2HD2 LEU 89 -22.400 -8.548 13.214 Start of MODEL 13 1 H1 MET 1 1H MET 1 -8.729 -12.013 11.001 2 H2 MET 1 2H MET 1 -8.426 -13.518 10.256 3 H3 MET 1 3H MET 1 -9.982 -13.040 10.552 4 HA MET 1 HA MET 1 -9.922 -11.311 9.001 5 HB2 MET 1 1HB MET 1 -8.010 -10.983 7.522 6 HB3 MET 1 2HB MET 1 -7.540 -10.693 9.184 7 HG2 MET 1 1HG MET 1 -6.337 -12.729 9.301 8 HG3 MET 1 2HG MET 1 -7.033 -13.310 7.790 9 HE1 MET 1 3HE MET 1 -6.332 -12.529 5.417 10 HE2 MET 1 1HE MET 1 -5.252 -11.177 5.086 11 HE3 MET 1 2HE MET 1 -6.831 -10.880 5.799 12 H GLU 2 H GLU 2 -10.411 -11.737 6.795 13 HA GLU 2 HA GLU 2 -10.649 -14.570 6.264 14 HB2 GLU 2 1HB GLU 2 -11.887 -12.162 4.929 15 HB3 GLU 2 2HB GLU 2 -12.169 -13.826 4.437 16 HG2 GLU 2 1HG GLU 2 -13.194 -14.340 6.540 17 HG3 GLU 2 2HG GLU 2 -12.758 -12.757 7.171 18 HA PRO 3 HA PRO 3 -7.151 -14.453 3.522 19 HB2 PRO 3 1HB PRO 3 -8.582 -16.701 2.218 20 HB3 PRO 3 2HB PRO 3 -6.918 -16.614 2.805 21 HG2 PRO 3 1HG PRO 3 -8.790 -17.935 4.163 22 HG3 PRO 3 2HG PRO 3 -7.533 -17.005 4.999 23 HD2 PRO 3 1HD PRO 3 -10.406 -16.354 4.565 24 HD3 PRO 3 2HD PRO 3 -9.350 -16.019 5.952 25 HA PRO 4 HA PRO 4 -9.769 -14.205 -0.770 26 HB2 PRO 4 1HB PRO 4 -12.151 -12.749 -0.004 27 HB3 PRO 4 2HB PRO 4 -12.017 -14.267 -0.884 28 HG2 PRO 4 1HG PRO 4 -12.568 -13.824 1.967 29 HG3 PRO 4 2HG PRO 4 -12.840 -15.263 0.977 30 HD2 PRO 4 1HD PRO 4 -10.915 -15.096 2.905 31 HD3 PRO 4 2HD PRO 4 -10.783 -16.147 1.484 32 HA PRO 5 HA PRO 5 -9.659 -9.328 -0.045 33 HB2 PRO 5 1HB PRO 5 -9.040 -9.328 2.872 34 HB3 PRO 5 2HB PRO 5 -9.984 -8.161 1.953 35 HG2 PRO 5 1HG PRO 5 -11.256 -9.833 3.459 36 HG3 PRO 5 2HG PRO 5 -11.812 -9.588 1.785 37 HD2 PRO 5 1HD PRO 5 -10.145 -11.834 2.886 38 HD3 PRO 5 2HD PRO 5 -11.594 -11.919 1.861 39 H LYS 6 H LYS 6 -7.781 -10.595 -1.042 40 HA LYS 6 HA LYS 6 -5.244 -10.162 0.342 41 HB2 LYS 6 1HB LYS 6 -5.871 -11.310 -2.386 42 HB3 LYS 6 2HB LYS 6 -4.248 -11.116 -1.754 43 HG2 LYS 6 1HG LYS 6 -6.395 -12.816 -0.511 44 HG3 LYS 6 2HG LYS 6 -5.125 -13.417 -1.570 45 HD2 LYS 6 1HD LYS 6 -4.640 -12.017 1.068 46 HD3 LYS 6 2HD LYS 6 -4.661 -13.758 0.860 47 HE2 LYS 6 1HE LYS 6 -2.741 -11.828 -0.466 48 HE3 LYS 6 2HE LYS 6 -2.374 -12.896 0.882 49 HZ1 LYS 6 3HZ LYS 6 -2.877 -14.802 -0.629 50 HZ2 LYS 6 1HZ LYS 6 -1.570 -13.860 -1.129 51 HZ3 LYS 6 2HZ LYS 6 -3.046 -13.703 -1.900 52 H LEU 7 H LEU 7 -4.199 -8.335 0.126 53 HA LEU 7 HA LEU 7 -5.019 -6.533 -2.036 54 HB2 LEU 7 1HB LEU 7 -3.609 -5.894 0.544 55 HB3 LEU 7 2HB LEU 7 -4.301 -4.745 -0.587 56 HG LEU 7 HG LEU 7 -5.831 -6.679 1.152 57 HD11 LEU 7 1HD1 LEU 7 -4.919 -4.868 2.421 58 HD12 LEU 7 2HD1 LEU 7 -6.665 -4.648 2.227 59 HD13 LEU 7 3HD1 LEU 7 -5.540 -3.706 1.253 60 HD21 LEU 7 3HD2 LEU 7 -7.833 -5.528 0.346 61 HD22 LEU 7 1HD2 LEU 7 -6.983 -6.357 -0.958 62 HD23 LEU 7 2HD2 LEU 7 -6.839 -4.607 -0.787 63 H VAL 8 H VAL 8 -3.549 -6.483 -3.642 64 HA VAL 8 HA VAL 8 -0.824 -7.152 -2.885 65 HB VAL 8 HB VAL 8 -1.768 -8.826 -4.360 66 HG11 VAL 8 1HG1 VAL 8 -2.290 -6.616 -6.322 67 HG12 VAL 8 2HG1 VAL 8 -3.475 -7.624 -5.495 68 HG13 VAL 8 3HG1 VAL 8 -2.388 -8.338 -6.686 69 HG21 VAL 8 3HG2 VAL 8 0.294 -7.147 -5.793 70 HG22 VAL 8 1HG2 VAL 8 -0.087 -8.831 -6.157 71 HG23 VAL 8 2HG2 VAL 8 0.607 -8.402 -4.594 72 H LEU 9 H LEU 9 0.691 -5.764 -3.072 73 HA LEU 9 HA LEU 9 0.181 -3.246 -4.497 74 HB2 LEU 9 1HB LEU 9 2.221 -3.921 -2.374 75 HB3 LEU 9 2HB LEU 9 1.998 -2.350 -3.107 76 HG LEU 9 HG LEU 9 0.014 -3.761 -1.317 77 HD11 LEU 9 1HD1 LEU 9 1.803 -1.385 -0.832 78 HD12 LEU 9 2HD1 LEU 9 1.986 -2.988 -0.119 79 HD13 LEU 9 3HD1 LEU 9 0.584 -1.995 0.283 80 HD21 LEU 9 3HD2 LEU 9 -1.217 -1.653 -1.363 81 HD22 LEU 9 1HD2 LEU 9 -1.081 -2.335 -2.983 82 HD23 LEU 9 2HD2 LEU 9 -0.049 -0.985 -2.502 83 H ASP 10 H ASP 10 1.210 -3.064 -6.393 84 HA ASP 10 HA ASP 10 3.487 -4.724 -7.048 85 HB2 ASP 10 1HB ASP 10 2.236 -2.399 -8.546 86 HB3 ASP 10 2HB ASP 10 3.688 -3.208 -9.105 87 H LEU 11 H LEU 11 5.271 -4.338 -5.956 88 HA LEU 11 HA LEU 11 5.923 -1.786 -4.896 89 HB2 LEU 11 1HB LEU 11 7.642 -4.250 -5.182 90 HB3 LEU 11 2HB LEU 11 8.066 -2.833 -4.245 91 HG LEU 11 HG LEU 11 5.788 -4.732 -3.677 92 HD11 LEU 11 1HD1 LEU 11 7.937 -5.690 -3.153 93 HD12 LEU 11 2HD1 LEU 11 7.102 -5.263 -1.657 94 HD13 LEU 11 3HD1 LEU 11 8.401 -4.242 -2.267 95 HD21 LEU 11 3HD2 LEU 11 5.489 -3.442 -1.601 96 HD22 LEU 11 1HD2 LEU 11 5.179 -2.459 -3.031 97 HD23 LEU 11 2HD2 LEU 11 6.697 -2.282 -2.153 98 H GLU 12 H GLU 12 6.673 -3.469 -7.788 99 HA GLU 12 HA GLU 12 8.799 -1.825 -8.668 100 HB2 GLU 12 1HB GLU 12 6.799 -3.457 -10.235 101 HB3 GLU 12 2HB GLU 12 8.249 -2.728 -10.919 102 HG2 GLU 12 1HG GLU 12 8.268 -4.710 -8.671 103 HG3 GLU 12 2HG GLU 12 8.457 -5.151 -10.370 104 H ARG 13 H ARG 13 5.314 -1.616 -8.971 105 HA ARG 13 HA ARG 13 5.338 0.737 -10.600 106 HB2 ARG 13 1HB ARG 13 3.419 -0.811 -10.603 107 HB3 ARG 13 2HB ARG 13 3.146 -0.477 -8.904 108 HG2 ARG 13 1HG ARG 13 1.535 0.712 -10.243 109 HG3 ARG 13 2HG ARG 13 2.617 1.853 -9.453 110 HD2 ARG 13 1HD ARG 13 3.899 2.059 -11.540 111 HD3 ARG 13 2HD ARG 13 2.778 0.947 -12.332 112 HE ARG 13 HE ARG 13 1.388 3.092 -11.134 113 HH11 ARG 13 1HH1 ARG 13 3.364 2.353 -13.986 114 HH12 ARG 13 2HH1 ARG 13 2.715 3.606 -14.925 115 HH21 ARG 13 1HH2 ARG 13 0.499 4.809 -12.447 116 HH22 ARG 13 2HH2 ARG 13 1.064 5.022 -14.045 117 H LEU 14 H LEU 14 5.171 0.005 -7.188 118 HA LEU 14 HA LEU 14 4.602 2.567 -6.208 119 HB2 LEU 14 1HB LEU 14 4.476 0.548 -4.835 120 HB3 LEU 14 2HB LEU 14 6.214 0.357 -4.943 121 HG LEU 14 HG LEU 14 6.520 2.444 -3.680 122 HD11 LEU 14 1HD1 LEU 14 4.488 3.606 -4.295 123 HD12 LEU 14 2HD1 LEU 14 4.600 3.466 -2.542 124 HD13 LEU 14 3HD1 LEU 14 3.517 2.405 -3.445 125 HD21 LEU 14 3HD2 LEU 14 6.492 0.305 -2.520 126 HD22 LEU 14 1HD2 LEU 14 4.741 0.415 -2.331 127 HD23 LEU 14 2HD2 LEU 14 5.793 1.572 -1.516 128 H ALA 15 H ALA 15 7.570 1.114 -7.284 129 HA ALA 15 HA ALA 15 9.264 3.180 -6.277 130 HB1 ALA 15 3HB ALA 15 10.125 0.934 -6.668 131 HB2 ALA 15 1HB ALA 15 11.021 2.113 -7.623 132 HB3 ALA 15 2HB ALA 15 9.802 1.089 -8.391 133 H THR 16 H THR 16 7.070 3.135 -8.810 134 HA THR 16 HA THR 16 8.487 5.067 -10.447 135 HB THR 16 HB THR 16 5.660 3.975 -10.706 136 HG1 THR 16 HG1 THR 16 8.098 3.084 -11.869 137 HG21 THR 16 3HG2 THR 16 5.897 4.595 -13.067 138 HG22 THR 16 1HG2 THR 16 7.536 5.174 -12.766 139 HG23 THR 16 2HG2 THR 16 6.159 6.006 -12.045 140 H VAL 17 H VAL 17 6.486 4.920 -7.736 141 HA VAL 17 HA VAL 17 5.160 7.453 -8.082 142 HB VAL 17 HB VAL 17 5.331 5.550 -5.702 143 HG11 VAL 17 1HG1 VAL 17 4.808 7.817 -4.947 144 HG12 VAL 17 2HG1 VAL 17 3.422 6.743 -4.758 145 HG13 VAL 17 3HG1 VAL 17 3.467 7.890 -6.092 146 HG21 VAL 17 3HG2 VAL 17 3.131 5.937 -7.724 147 HG22 VAL 17 1HG2 VAL 17 3.047 4.891 -6.305 148 HG23 VAL 17 2HG2 VAL 17 4.199 4.542 -7.594 149 HA PRO 18 HA PRO 18 8.582 9.970 -6.555 150 HB2 PRO 18 1HB PRO 18 6.905 11.564 -4.884 151 HB3 PRO 18 2HB PRO 18 7.491 11.965 -6.498 152 HG2 PRO 18 1HG PRO 18 4.882 10.826 -5.666 153 HG3 PRO 18 2HG PRO 18 5.267 11.861 -7.051 154 HD2 PRO 18 1HD PRO 18 4.734 9.271 -7.371 155 HD3 PRO 18 2HD PRO 18 5.988 10.066 -8.344 156 H ALA 19 H ALA 19 9.913 9.828 -4.868 157 HA ALA 19 HA ALA 19 9.506 7.793 -2.965 158 HB1 ALA 19 3HB ALA 19 11.674 9.872 -2.962 159 HB2 ALA 19 1HB ALA 19 11.706 8.370 -3.888 160 HB3 ALA 19 2HB ALA 19 11.695 8.322 -2.124 161 H GLU 20 H GLU 20 8.803 11.115 -2.855 162 HA GLU 20 HA GLU 20 8.804 11.584 -0.097 163 HB2 GLU 20 1HB GLU 20 6.959 12.627 -2.229 164 HB3 GLU 20 2HB GLU 20 7.043 13.263 -0.594 165 HG2 GLU 20 1HG GLU 20 9.353 13.923 -0.963 166 HG3 GLU 20 2HG GLU 20 9.288 13.250 -2.591 167 H LYS 21 H LYS 21 6.397 10.079 -2.200 168 HA LYS 21 HA LYS 21 4.724 9.531 0.134 169 HB2 LYS 21 1HB LYS 21 4.119 9.243 -2.816 170 HB3 LYS 21 2HB LYS 21 2.999 8.849 -1.522 171 HG2 LYS 21 1HG LYS 21 3.004 11.169 -0.790 172 HG3 LYS 21 2HG LYS 21 4.158 11.577 -2.056 173 HD2 LYS 21 1HD LYS 21 2.508 10.924 -3.756 174 HD3 LYS 21 2HD LYS 21 1.366 10.501 -2.481 175 HE2 LYS 21 1HE LYS 21 1.425 12.850 -1.695 176 HE3 LYS 21 2HE LYS 21 2.501 13.247 -3.025 177 HZ1 LYS 21 3HZ LYS 21 0.216 13.810 -3.545 178 HZ2 LYS 21 1HZ LYS 21 -0.279 12.229 -3.314 179 HZ3 LYS 21 2HZ LYS 21 0.743 12.590 -4.575 180 H ALA 22 H ALA 22 6.568 7.953 -2.396 181 HA ALA 22 HA ALA 22 5.699 5.327 -1.795 182 HB1 ALA 22 3HB ALA 22 7.514 4.573 -3.212 183 HB2 ALA 22 1HB ALA 22 8.248 6.174 -3.160 184 HB3 ALA 22 2HB ALA 22 6.694 5.948 -3.956 185 H GLY 23 H GLY 23 8.313 7.315 -0.593 186 HA2 GLY 23 1HA GLY 23 9.996 5.436 0.567 187 HA3 GLY 23 2HA GLY 23 9.795 7.084 1.129 188 HA PRO 24 HA PRO 24 7.550 5.909 4.852 189 HB2 PRO 24 1HB PRO 24 4.919 6.636 3.632 190 HB3 PRO 24 2HB PRO 24 5.591 7.105 5.198 191 HG2 PRO 24 1HG PRO 24 5.574 8.833 3.210 192 HG3 PRO 24 2HG PRO 24 7.002 8.700 4.254 193 HD2 PRO 24 1HD PRO 24 6.581 7.672 1.481 194 HD3 PRO 24 2HD PRO 24 8.035 8.370 2.216 195 H LEU 25 H LEU 25 6.042 4.835 1.859 196 HA LEU 25 HA LEU 25 4.774 2.630 3.194 197 HB2 LEU 25 1HB LEU 25 3.540 3.657 1.443 198 HB3 LEU 25 2HB LEU 25 4.844 3.465 0.304 199 HG LEU 25 HG LEU 25 4.442 1.033 0.238 200 HD11 LEU 25 1HD1 LEU 25 2.243 1.585 2.227 201 HD12 LEU 25 2HD1 LEU 25 3.739 0.706 2.553 202 HD13 LEU 25 3HD1 LEU 25 2.552 0.042 1.431 203 HD21 LEU 25 3HD2 LEU 25 3.156 2.453 -1.264 204 HD22 LEU 25 1HD2 LEU 25 1.900 2.618 -0.038 205 HD23 LEU 25 2HD2 LEU 25 2.223 1.043 -0.764 206 H GLN 26 H GLN 26 7.567 3.152 1.137 207 HA GLN 26 HA GLN 26 8.268 0.450 0.864 208 HB2 GLN 26 1HB GLN 26 9.939 2.949 0.773 209 HB3 GLN 26 2HB GLN 26 10.648 1.354 0.569 210 HG2 GLN 26 1HG GLN 26 8.467 2.509 -1.165 211 HG3 GLN 26 2HG GLN 26 10.179 2.504 -1.568 212 HE21 GLN 26 2HE2 GLN 26 9.873 1.261 -3.404 213 HE22 GLN 26 1HE2 GLN 26 9.495 -0.428 -3.319 214 H ARG 27 H ARG 27 8.837 2.721 3.404 215 HA ARG 27 HA ARG 27 10.525 1.187 5.048 216 HB2 ARG 27 1HB ARG 27 8.524 3.291 5.476 217 HB3 ARG 27 2HB ARG 27 9.080 2.416 6.896 218 HG2 ARG 27 1HG ARG 27 10.907 3.822 4.958 219 HG3 ARG 27 2HG ARG 27 10.296 4.536 6.457 220 HD2 ARG 27 1HD ARG 27 11.969 2.021 6.251 221 HD3 ARG 27 2HD ARG 27 12.515 3.595 6.819 222 HE ARG 27 HE ARG 27 10.487 3.169 8.464 223 HH11 ARG 27 1HH1 ARG 27 13.146 0.968 7.577 224 HH12 ARG 27 2HH1 ARG 27 13.094 0.135 9.060 225 HH21 ARG 27 1HH2 ARG 27 10.427 1.994 10.439 226 HH22 ARG 27 2HH2 ARG 27 11.524 0.715 10.724 227 H TYR 28 H TYR 28 7.055 1.177 4.669 228 HA TYR 28 HA TYR 28 6.555 -0.669 6.785 229 HB2 TYR 28 1HB TYR 28 4.903 1.003 5.858 230 HB3 TYR 28 2HB TYR 28 4.802 0.003 4.419 231 HD1 TYR 28 HD2 TYR 28 4.022 0.201 8.000 232 HD2 TYR 28 HD1 TYR 28 3.480 -2.021 4.415 233 HE1 TYR 28 HE2 TYR 28 2.204 -1.056 9.064 234 HE2 TYR 28 HE1 TYR 28 1.655 -3.280 5.468 235 HH TYR 28 HH TYR 28 0.825 -3.862 7.661 236 H ALA 29 H ALA 29 6.786 -0.840 3.262 237 HA ALA 29 HA ALA 29 6.307 -3.562 2.917 238 HB1 ALA 29 3HB ALA 29 8.092 -1.772 1.263 239 HB2 ALA 29 1HB ALA 29 6.345 -1.936 1.074 240 HB3 ALA 29 2HB ALA 29 7.404 -3.310 0.751 241 H ALA 30 H ALA 30 9.349 -1.822 3.469 242 HA ALA 30 HA ALA 30 11.119 -3.990 3.314 243 HB1 ALA 30 3HB ALA 30 11.300 -1.494 5.001 244 HB2 ALA 30 1HB ALA 30 11.862 -1.662 3.340 245 HB3 ALA 30 2HB ALA 30 12.647 -2.569 4.638 246 H THR 31 H THR 31 9.197 -2.731 5.946 247 HA THR 31 HA THR 31 10.272 -4.439 7.907 248 HB THR 31 HB THR 31 7.637 -2.937 7.878 249 HG1 THR 31 HG1 THR 31 9.233 -1.429 7.780 250 HG21 THR 31 3HG2 THR 31 7.791 -3.111 10.340 251 HG22 THR 31 1HG2 THR 31 9.234 -4.111 10.171 252 HG23 THR 31 2HG2 THR 31 7.677 -4.705 9.593 253 H ILE 32 H ILE 32 7.413 -4.624 5.798 254 HA ILE 32 HA ILE 32 6.375 -7.031 6.821 255 HB ILE 32 HB ILE 32 6.255 -6.078 3.935 256 HG12 ILE 32 1HG1 ILE 32 5.317 -4.398 5.435 257 HG13 ILE 32 2HG1 ILE 32 4.032 -5.169 4.511 258 HG21 ILE 32 1HG2 ILE 32 4.242 -7.480 3.743 259 HG22 ILE 32 2HG2 ILE 32 4.511 -8.071 5.382 260 HG23 ILE 32 3HG2 ILE 32 5.677 -8.438 4.114 261 HD11 ILE 32 3HD1 ILE 32 3.352 -4.827 6.805 262 HD12 ILE 32 1HD1 ILE 32 4.752 -5.735 7.378 263 HD13 ILE 32 2HD1 ILE 32 3.495 -6.549 6.453 264 H GLN 33 H GLN 33 8.696 -6.444 4.212 265 HA GLN 33 HA GLN 33 9.249 -9.040 3.395 266 HB2 GLN 33 1HB GLN 33 11.175 -6.731 3.699 267 HB3 GLN 33 2HB GLN 33 11.539 -8.215 2.844 268 HG2 GLN 33 1HG GLN 33 9.834 -7.706 1.193 269 HG3 GLN 33 2HG GLN 33 9.376 -6.256 2.097 270 HE21 GLN 33 2HE2 GLN 33 10.426 -6.509 -0.659 271 HE22 GLN 33 1HE2 GLN 33 11.849 -5.524 -0.658 272 H SER 34 H SER 34 10.946 -7.169 5.869 273 HA SER 34 HA SER 34 12.591 -9.306 6.622 274 HB2 SER 34 1HB SER 34 13.134 -7.797 8.600 275 HB3 SER 34 2HB SER 34 13.479 -7.168 6.988 276 HG SER 34 HG SER 34 11.763 -5.844 7.112 277 H GLN 35 H GLN 35 9.523 -8.146 8.011 278 HA GLN 35 HA GLN 35 9.711 -9.844 10.276 279 HB2 GLN 35 1HB GLN 35 7.246 -8.570 9.077 280 HB3 GLN 35 2HB GLN 35 7.282 -9.417 10.614 281 HG2 GLN 35 1HG GLN 35 8.749 -6.878 9.924 282 HG3 GLN 35 2HG GLN 35 7.341 -7.031 10.971 283 HE21 GLN 35 2HE2 GLN 35 9.961 -5.925 11.539 284 HE22 GLN 35 1HE2 GLN 35 10.591 -6.815 12.868 285 H ARG 36 H ARG 36 8.460 -10.384 7.041 286 HA ARG 36 HA ARG 36 7.370 -12.961 7.817 287 HB2 ARG 36 1HB ARG 36 7.927 -11.997 4.996 288 HB3 ARG 36 2HB ARG 36 6.930 -13.362 5.452 289 HG2 ARG 36 1HG ARG 36 5.420 -11.703 6.609 290 HG3 ARG 36 2HG ARG 36 6.345 -10.441 5.801 291 HD2 ARG 36 1HD ARG 36 4.702 -12.623 4.515 292 HD3 ARG 36 2HD ARG 36 4.400 -10.892 4.475 293 HE ARG 36 HE ARG 36 6.905 -11.671 3.296 294 HH11 ARG 36 1HH1 ARG 36 3.454 -11.108 2.681 295 HH12 ARG 36 2HH1 ARG 36 3.626 -11.098 0.987 296 HH21 ARG 36 1HH2 ARG 36 7.095 -11.714 0.879 297 HH22 ARG 36 2HH2 ARG 36 5.685 -11.418 -0.021 298 H GLY 37 H GLY 37 10.343 -11.643 6.863 299 HA2 GLY 37 1HA GLY 37 12.423 -12.627 6.783 300 HA3 GLY 37 2HA GLY 37 11.667 -14.207 7.017 301 H ASP 38 H ASP 38 10.430 -12.098 4.651 302 HA ASP 38 HA ASP 38 11.496 -13.796 2.511 303 HB2 ASP 38 1HB ASP 38 9.232 -14.496 2.903 304 HB3 ASP 38 2HB ASP 38 8.668 -12.829 2.924 305 H TYR 39 H TYR 39 12.572 -12.591 1.128 306 HA TYR 39 HA TYR 39 12.022 -9.731 1.097 307 HB2 TYR 39 1HB TYR 39 14.385 -10.681 1.473 308 HB3 TYR 39 2HB TYR 39 14.350 -11.112 -0.230 309 HD1 TYR 39 HD1 TYR 39 14.212 -9.283 -1.962 310 HD2 TYR 39 HD2 TYR 39 14.765 -8.468 2.173 311 HE1 TYR 39 HE1 TYR 39 14.969 -7.006 -2.515 312 HE2 TYR 39 HE2 TYR 39 15.516 -6.208 1.642 313 HH TYR 39 HH TYR 39 15.031 -4.806 -1.348 314 H ASN 40 H ASN 40 10.445 -9.354 -0.300 315 HA ASN 40 HA ASN 40 10.812 -10.280 -3.058 316 HB2 ASN 40 1HB ASN 40 8.868 -11.429 -1.893 317 HB3 ASN 40 2HB ASN 40 8.136 -9.845 -1.677 318 HD21 ASN 40 2HD2 ASN 40 7.142 -12.151 -3.082 319 HD22 ASN 40 1HD2 ASN 40 6.836 -11.679 -4.711 320 H GLY 41 H GLY 41 11.196 -8.584 -4.268 321 HA2 GLY 41 1HA GLY 41 10.233 -5.956 -3.351 322 HA3 GLY 41 2HA GLY 41 11.704 -6.213 -4.279 323 H LYS 42 H LYS 42 9.043 -8.109 -5.261 324 HA LYS 42 HA LYS 42 8.731 -6.343 -7.568 325 HB2 LYS 42 1HB LYS 42 8.023 -9.271 -7.254 326 HB3 LYS 42 2HB LYS 42 7.513 -8.312 -8.627 327 HG2 LYS 42 1HG LYS 42 9.407 -9.556 -9.315 328 HG3 LYS 42 2HG LYS 42 9.944 -7.894 -9.114 329 HD2 LYS 42 1HD LYS 42 10.852 -8.472 -6.906 330 HD3 LYS 42 2HD LYS 42 10.331 -10.138 -7.138 331 HE2 LYS 42 1HE LYS 42 12.306 -8.653 -8.868 332 HE3 LYS 42 2HE LYS 42 12.714 -9.840 -7.638 333 HZ1 LYS 42 3HZ LYS 42 11.174 -10.365 -10.134 334 HZ2 LYS 42 1HZ LYS 42 11.475 -11.501 -8.912 335 HZ3 LYS 42 2HZ LYS 42 12.746 -10.833 -9.797 336 H VAL 43 H VAL 43 6.722 -8.437 -5.539 337 HA VAL 43 HA VAL 43 4.667 -6.388 -5.550 338 HB VAL 43 HB VAL 43 2.896 -8.129 -5.808 339 HG11 VAL 43 1HG1 VAL 43 3.495 -6.823 -7.754 340 HG12 VAL 43 2HG1 VAL 43 3.100 -8.474 -8.223 341 HG13 VAL 43 3HG1 VAL 43 4.784 -7.960 -8.143 342 HG21 VAL 43 3HG2 VAL 43 4.157 -10.096 -5.127 343 HG22 VAL 43 1HG2 VAL 43 5.183 -9.957 -6.554 344 HG23 VAL 43 2HG2 VAL 43 3.472 -10.337 -6.733 345 H LEU 44 H LEU 44 3.328 -6.530 -3.728 346 HA LEU 44 HA LEU 44 4.232 -8.429 -1.699 347 HB2 LEU 44 1HB LEU 44 5.265 -6.172 -1.404 348 HB3 LEU 44 2HB LEU 44 3.657 -5.508 -1.220 349 HG LEU 44 HG LEU 44 3.349 -6.929 0.800 350 HD11 LEU 44 1HD1 LEU 44 4.919 -8.702 0.283 351 HD12 LEU 44 2HD1 LEU 44 5.334 -7.946 1.820 352 HD13 LEU 44 3HD1 LEU 44 6.260 -7.561 0.372 353 HD21 LEU 44 3HD2 LEU 44 4.794 -5.590 2.243 354 HD22 LEU 44 1HD2 LEU 44 4.052 -4.598 0.989 355 HD23 LEU 44 2HD2 LEU 44 5.739 -5.090 0.839 356 H SER 45 H SER 45 2.503 -9.621 -1.329 357 HA SER 45 HA SER 45 -0.099 -8.393 -1.460 358 HB2 SER 45 1HB SER 45 -0.827 -10.875 -1.117 359 HB3 SER 45 2HB SER 45 -0.166 -10.381 -2.673 360 HG SER 45 HG SER 45 1.201 -11.863 -2.404 361 H ILE 46 H ILE 46 -0.794 -7.466 0.204 362 HA ILE 46 HA ILE 46 0.087 -8.333 2.847 363 HB ILE 46 HB ILE 46 -0.504 -6.072 3.614 364 HG12 ILE 46 1HG1 ILE 46 -1.051 -5.474 0.681 365 HG13 ILE 46 2HG1 ILE 46 -2.258 -5.582 1.957 366 HG21 ILE 46 1HG2 ILE 46 1.335 -4.864 2.538 367 HG22 ILE 46 2HG2 ILE 46 1.398 -6.102 1.285 368 HG23 ILE 46 3HG2 ILE 46 1.778 -6.520 2.956 369 HD11 ILE 46 3HD1 ILE 46 -1.309 -3.630 3.047 370 HD12 ILE 46 1HD1 ILE 46 -1.743 -3.274 1.376 371 HD13 ILE 46 2HD1 ILE 46 -0.053 -3.543 1.813 372 H ARG 47 H ARG 47 -1.620 -7.403 4.484 373 HA ARG 47 HA ARG 47 -4.116 -8.881 3.980 374 HB2 ARG 47 1HB ARG 47 -2.917 -7.763 6.457 375 HB3 ARG 47 2HB ARG 47 -4.325 -8.804 6.328 376 HG2 ARG 47 1HG ARG 47 -3.025 -10.647 5.684 377 HG3 ARG 47 2HG ARG 47 -1.602 -9.623 5.399 378 HD2 ARG 47 1HD ARG 47 -3.037 -9.978 7.938 379 HD3 ARG 47 2HD ARG 47 -1.492 -10.785 7.540 380 HE ARG 47 HE ARG 47 -0.944 -8.176 7.111 381 HH11 ARG 47 1HH1 ARG 47 -2.295 -9.762 9.973 382 HH12 ARG 47 2HH1 ARG 47 -1.776 -8.565 11.049 383 HH21 ARG 47 1HH2 ARG 47 -0.210 -6.552 8.559 384 HH22 ARG 47 2HH2 ARG 47 -0.541 -6.671 10.221 385 H GLN 48 H GLN 48 -5.974 -7.990 4.942 386 HA GLN 48 HA GLN 48 -6.698 -5.396 4.225 387 HB2 GLN 48 1HB GLN 48 -8.710 -5.876 5.614 388 HB3 GLN 48 2HB GLN 48 -8.305 -7.167 4.491 389 HG2 GLN 48 1HG GLN 48 -7.135 -8.324 6.405 390 HG3 GLN 48 2HG GLN 48 -7.836 -7.110 7.467 391 HE21 GLN 48 2HE2 GLN 48 -9.421 -8.520 4.683 392 HE22 GLN 48 1HE2 GLN 48 -10.641 -9.335 5.584 393 H ASP 49 H ASP 49 -5.307 -6.683 7.152 394 HA ASP 49 HA ASP 49 -5.745 -4.423 8.832 395 HB2 ASP 49 1HB ASP 49 -5.338 -6.583 9.820 396 HB3 ASP 49 2HB ASP 49 -3.761 -6.695 9.039 397 H ASP 50 H ASP 50 -3.330 -5.328 6.527 398 HA ASP 50 HA ASP 50 -1.326 -3.558 7.493 399 HB2 ASP 50 1HB ASP 50 -1.631 -4.981 4.868 400 HB3 ASP 50 2HB ASP 50 -0.249 -3.950 5.224 401 H LEU 51 H LEU 51 -3.624 -3.422 4.821 402 HA LEU 51 HA LEU 51 -2.891 -0.842 3.933 403 HB2 LEU 51 1HB LEU 51 -4.353 -2.479 2.701 404 HB3 LEU 51 2HB LEU 51 -5.655 -2.059 3.795 405 HG LEU 51 HG LEU 51 -5.495 0.304 2.970 406 HD11 LEU 51 1HD1 LEU 51 -3.246 0.307 2.130 407 HD12 LEU 51 2HD1 LEU 51 -4.362 0.670 0.813 408 HD13 LEU 51 3HD1 LEU 51 -3.644 -0.932 0.941 409 HD21 LEU 51 3HD2 LEU 51 -6.080 -1.773 0.859 410 HD22 LEU 51 1HD2 LEU 51 -6.659 -0.112 0.877 411 HD23 LEU 51 2HD2 LEU 51 -7.200 -1.242 2.117 412 H ARG 52 H ARG 52 -5.094 -1.955 6.387 413 HA ARG 52 HA ARG 52 -6.337 0.479 7.074 414 HB2 ARG 52 1HB ARG 52 -7.127 -1.758 7.764 415 HB3 ARG 52 2HB ARG 52 -5.725 -1.913 8.808 416 HG2 ARG 52 1HG ARG 52 -6.530 0.033 10.105 417 HG3 ARG 52 2HG ARG 52 -7.973 0.068 9.089 418 HD2 ARG 52 1HD ARG 52 -8.475 -2.245 9.758 419 HD3 ARG 52 2HD ARG 52 -7.066 -2.222 10.817 420 HE ARG 52 HE ARG 52 -8.590 -0.074 11.569 421 HH11 ARG 52 1HH1 ARG 52 -8.918 -3.589 11.520 422 HH12 ARG 52 2HH1 ARG 52 -10.133 -3.636 12.708 423 HH21 ARG 52 1HH2 ARG 52 -10.218 -0.140 13.224 424 HH22 ARG 52 2HH2 ARG 52 -10.877 -1.638 13.717 425 H THR 53 H THR 53 -3.441 -1.152 8.320 426 HA THR 53 HA THR 53 -2.811 0.722 10.304 427 HB THR 53 HB THR 53 -0.942 -1.148 8.793 428 HG1 THR 53 HG1 THR 53 -2.615 -2.281 9.861 429 HG21 THR 53 3HG2 THR 53 -0.615 0.191 11.497 430 HG22 THR 53 1HG2 THR 53 0.274 0.610 10.033 431 HG23 THR 53 2HG2 THR 53 0.503 -0.971 10.782 432 H LEU 54 H LEU 54 -1.943 0.508 6.883 433 HA LEU 54 HA LEU 54 -0.103 2.601 6.706 434 HB2 LEU 54 1HB LEU 54 -2.165 1.735 4.686 435 HB3 LEU 54 2HB LEU 54 -0.828 2.814 4.345 436 HG LEU 54 HG LEU 54 -0.610 -0.083 5.151 437 HD11 LEU 54 1HD1 LEU 54 -1.403 0.206 2.871 438 HD12 LEU 54 2HD1 LEU 54 0.256 -0.387 2.887 439 HD13 LEU 54 3HD1 LEU 54 -0.071 1.310 2.536 440 HD21 LEU 54 3HD2 LEU 54 1.246 1.169 6.039 441 HD22 LEU 54 1HD2 LEU 54 1.504 1.950 4.477 442 HD23 LEU 54 2HD2 LEU 54 1.776 0.218 4.656 443 H ALA 55 H ALA 55 -3.608 2.677 6.470 444 HA ALA 55 HA ALA 55 -3.971 5.389 5.911 445 HB1 ALA 55 3HB ALA 55 -5.757 3.692 5.759 446 HB2 ALA 55 1HB ALA 55 -6.244 5.080 6.734 447 HB3 ALA 55 2HB ALA 55 -5.769 3.573 7.518 448 H VAL 56 H VAL 56 -3.375 3.751 8.924 449 HA VAL 56 HA VAL 56 -4.011 5.985 10.577 450 HB VAL 56 HB VAL 56 -2.394 3.493 11.219 451 HG11 VAL 56 1HG1 VAL 56 -1.923 5.291 12.798 452 HG12 VAL 56 2HG1 VAL 56 -2.855 4.007 13.568 453 HG13 VAL 56 3HG1 VAL 56 -3.650 5.506 13.083 454 HG21 VAL 56 3HG2 VAL 56 -5.304 4.118 11.712 455 HG22 VAL 56 1HG2 VAL 56 -4.449 2.683 12.279 456 HG23 VAL 56 2HG2 VAL 56 -4.669 2.953 10.549 457 H ILE 57 H ILE 57 -1.079 4.598 9.220 458 HA ILE 57 HA ILE 57 0.825 6.201 10.567 459 HB ILE 57 HB ILE 57 1.157 5.137 7.748 460 HG12 ILE 57 1HG1 ILE 57 1.699 3.716 10.380 461 HG13 ILE 57 2HG1 ILE 57 0.433 3.356 9.198 462 HG21 ILE 57 1HG2 ILE 57 3.556 5.101 8.318 463 HG22 ILE 57 2HG2 ILE 57 3.186 5.792 9.899 464 HG23 ILE 57 3HG2 ILE 57 2.878 6.725 8.433 465 HD11 ILE 57 3HD1 ILE 57 2.299 1.784 9.042 466 HD12 ILE 57 1HD1 ILE 57 3.387 3.125 8.684 467 HD13 ILE 57 2HD1 ILE 57 2.091 2.718 7.561 468 H TYR 58 H TYR 58 -0.676 6.588 7.378 469 HA TYR 58 HA TYR 58 0.723 9.101 6.968 470 HB2 TYR 58 1HB TYR 58 -1.431 7.970 5.173 471 HB3 TYR 58 2HB TYR 58 -0.142 9.086 4.743 472 HD1 TYR 58 HD2 TYR 58 2.231 7.683 5.931 473 HD2 TYR 58 HD1 TYR 58 -1.099 6.157 3.778 474 HE1 TYR 58 HE2 TYR 58 3.561 5.696 5.244 475 HE2 TYR 58 HE1 TYR 58 0.228 4.201 3.105 476 HH TYR 58 HH TYR 58 3.198 3.445 4.556 477 H ASP 59 H ASP 59 -2.059 8.109 8.429 478 HA ASP 59 HA ASP 59 -3.819 9.056 9.377 479 HB2 ASP 59 1HB ASP 59 -2.071 10.663 10.243 480 HB3 ASP 59 2HB ASP 59 -2.466 11.731 8.905 481 H GLN 60 H GLN 60 -4.514 8.228 7.229 482 HA GLN 60 HA GLN 60 -6.102 10.301 5.923 483 HB2 GLN 60 1HB GLN 60 -4.620 8.051 4.543 484 HB3 GLN 60 2HB GLN 60 -5.909 8.964 3.782 485 HG2 GLN 60 1HG GLN 60 -4.541 11.020 4.089 486 HG3 GLN 60 2HG GLN 60 -3.235 10.001 4.695 487 HE21 GLN 60 2HE2 GLN 60 -3.356 11.723 2.337 488 HE22 GLN 60 1HE2 GLN 60 -3.021 10.726 0.972 489 H SER 61 H SER 61 -8.129 9.638 5.289 490 HA SER 61 HA SER 61 -9.306 7.607 6.848 491 HB2 SER 61 1HB SER 61 -10.400 9.051 4.440 492 HB3 SER 61 2HB SER 61 -11.334 8.275 5.726 493 HG SER 61 HG SER 61 -10.739 10.705 5.674 494 HA PRO 62 HA PRO 62 -8.552 3.856 4.627 495 HB2 PRO 62 1HB PRO 62 -11.518 3.537 4.802 496 HB3 PRO 62 2HB PRO 62 -10.245 2.361 5.147 497 HG2 PRO 62 1HG PRO 62 -11.448 3.627 7.142 498 HG3 PRO 62 2HG PRO 62 -9.699 3.342 7.182 499 HD2 PRO 62 1HD PRO 62 -11.191 5.868 6.701 500 HD3 PRO 62 2HD PRO 62 -9.594 5.607 7.434 501 H SER 63 H SER 63 -11.482 5.564 3.469 502 HA SER 63 HA SER 63 -11.530 4.315 0.957 503 HB2 SER 63 1HB SER 63 -13.493 5.449 1.881 504 HB3 SER 63 2HB SER 63 -12.658 6.998 1.779 505 HG SER 63 HG SER 63 -13.383 7.131 -0.145 506 H VAL 64 H VAL 64 -10.361 7.610 1.820 507 HA VAL 64 HA VAL 64 -9.425 8.086 -0.798 508 HB VAL 64 HB VAL 64 -8.261 10.075 0.071 509 HG11 VAL 64 1HG1 VAL 64 -10.208 11.274 0.932 510 HG12 VAL 64 2HG1 VAL 64 -11.031 9.735 1.184 511 HG13 VAL 64 3HG1 VAL 64 -10.612 10.253 -0.448 512 HG21 VAL 64 3HG2 VAL 64 -9.110 9.078 2.786 513 HG22 VAL 64 1HG2 VAL 64 -8.442 10.677 2.443 514 HG23 VAL 64 2HG2 VAL 64 -7.459 9.233 2.187 515 H LEU 65 H LEU 65 -7.879 6.750 2.022 516 HA LEU 65 HA LEU 65 -5.225 6.760 1.116 517 HB2 LEU 65 1HB LEU 65 -5.913 6.281 3.442 518 HB3 LEU 65 2HB LEU 65 -6.673 4.805 2.921 519 HG LEU 65 HG LEU 65 -4.487 4.575 4.162 520 HD11 LEU 65 1HD1 LEU 65 -5.349 2.713 2.916 521 HD12 LEU 65 2HD1 LEU 65 -3.593 2.789 2.776 522 HD13 LEU 65 3HD1 LEU 65 -4.611 3.330 1.440 523 HD21 LEU 65 3HD2 LEU 65 -3.255 6.391 3.160 524 HD22 LEU 65 1HD2 LEU 65 -3.341 5.606 1.581 525 HD23 LEU 65 2HD2 LEU 65 -2.423 4.857 2.885 526 H THR 66 H THR 66 -7.812 4.376 0.741 527 HA THR 66 HA THR 66 -6.280 2.569 -0.767 528 HB THR 66 HB THR 66 -9.307 2.898 -0.769 529 HG1 THR 66 HG1 THR 66 -8.669 2.588 1.340 530 HG21 THR 66 3HG2 THR 66 -7.556 0.487 -1.303 531 HG22 THR 66 1HG2 THR 66 -8.419 1.407 -2.533 532 HG23 THR 66 2HG2 THR 66 -9.318 0.506 -1.315 533 H GLU 67 H GLU 67 -8.324 5.344 -1.608 534 HA GLU 67 HA GLU 67 -8.449 5.013 -4.378 535 HB2 GLU 67 1HB GLU 67 -8.359 7.607 -2.815 536 HB3 GLU 67 2HB GLU 67 -8.740 7.488 -4.520 537 HG2 GLU 67 1HG GLU 67 -10.683 6.031 -3.867 538 HG3 GLU 67 2HG GLU 67 -10.343 6.466 -2.194 539 H GLN 68 H GLN 68 -6.049 6.663 -2.375 540 HA GLN 68 HA GLN 68 -4.355 7.691 -4.291 541 HB2 GLN 68 1HB GLN 68 -3.712 6.413 -1.639 542 HB3 GLN 68 2HB GLN 68 -2.572 7.384 -2.555 543 HG2 GLN 68 1HG GLN 68 -5.193 8.487 -1.567 544 HG3 GLN 68 2HG GLN 68 -3.794 8.404 -0.519 545 HE21 GLN 68 2HE2 GLN 68 -3.669 9.281 -4.003 546 HE22 GLN 68 1HE2 GLN 68 -3.192 10.891 -3.684 547 H LEU 69 H LEU 69 -4.030 4.563 -2.623 548 HA LEU 69 HA LEU 69 -1.890 3.586 -4.095 549 HB2 LEU 69 1HB LEU 69 -3.979 2.275 -2.409 550 HB3 LEU 69 2HB LEU 69 -2.866 1.294 -3.324 551 HG LEU 69 HG LEU 69 -2.181 1.498 -1.012 552 HD11 LEU 69 1HD1 LEU 69 0.128 2.140 -1.360 553 HD12 LEU 69 2HD1 LEU 69 -0.309 2.930 -2.872 554 HD13 LEU 69 3HD1 LEU 69 -0.487 1.182 -2.708 555 HD21 LEU 69 3HD2 LEU 69 -3.069 3.710 -0.476 556 HD22 LEU 69 1HD2 LEU 69 -1.884 4.455 -1.548 557 HD23 LEU 69 2HD2 LEU 69 -1.351 3.615 -0.088 558 H ILE 70 H ILE 70 -5.346 3.179 -4.704 559 HA ILE 70 HA ILE 70 -5.077 1.356 -6.857 560 HB ILE 70 HB ILE 70 -7.331 3.286 -6.209 561 HG12 ILE 70 1HG1 ILE 70 -7.148 0.309 -5.778 562 HG13 ILE 70 2HG1 ILE 70 -6.805 1.498 -4.530 563 HG21 ILE 70 1HG2 ILE 70 -7.406 2.667 -8.575 564 HG22 ILE 70 2HG2 ILE 70 -8.740 1.926 -7.691 565 HG23 ILE 70 3HG2 ILE 70 -7.337 0.958 -8.141 566 HD11 ILE 70 3HD1 ILE 70 -9.083 2.279 -4.597 567 HD12 ILE 70 1HD1 ILE 70 -9.088 0.533 -4.380 568 HD13 ILE 70 2HD1 ILE 70 -9.455 1.243 -5.963 569 H SER 71 H SER 71 -5.248 4.874 -6.713 570 HA SER 71 HA SER 71 -5.375 5.263 -9.515 571 HB2 SER 71 1HB SER 71 -4.517 7.192 -7.362 572 HB3 SER 71 2HB SER 71 -5.019 7.617 -9.003 573 HG SER 71 HG SER 71 -6.517 6.637 -6.856 574 H TRP 72 H TRP 72 -2.712 5.046 -7.211 575 HA TRP 72 HA TRP 72 -0.694 5.855 -9.062 576 HB2 TRP 72 1HB TRP 72 -0.447 4.078 -6.631 577 HB3 TRP 72 2HB TRP 72 0.894 4.790 -7.507 578 HD1 TRP 72 HD1 TRP 72 -0.921 7.719 -7.547 579 HE1 TRP 72 HE1 TRP 72 -0.690 9.125 -5.397 580 HE3 TRP 72 HE3 TRP 72 0.834 4.123 -4.416 581 HZ2 TRP 72 HZ2 TRP 72 0.144 8.763 -2.736 582 HZ3 TRP 72 HZ3 TRP 72 1.345 4.724 -2.073 583 HH2 TRP 72 HH2 TRP 72 1.007 6.997 -1.256 584 H GLY 73 H GLY 73 -2.537 3.027 -8.666 585 HA2 GLY 73 1HA GLY 73 -2.641 1.193 -10.094 586 HA3 GLY 73 2HA GLY 73 -1.158 1.744 -10.859 587 H VAL 74 H VAL 74 -0.987 1.703 -7.533 588 HA VAL 74 HA VAL 74 0.894 -0.499 -7.600 589 HB VAL 74 HB VAL 74 0.016 1.245 -5.264 590 HG11 VAL 74 1HG1 VAL 74 2.385 -0.612 -5.505 591 HG12 VAL 74 2HG1 VAL 74 0.949 -0.886 -4.522 592 HG13 VAL 74 3HG1 VAL 74 2.037 0.451 -4.137 593 HG21 VAL 74 3HG2 VAL 74 2.476 1.435 -6.995 594 HG22 VAL 74 1HG2 VAL 74 2.126 2.437 -5.589 595 HG23 VAL 74 2HG2 VAL 74 1.103 2.540 -7.024 596 H LEU 75 H LEU 75 -2.250 0.294 -6.306 597 HA LEU 75 HA LEU 75 -2.659 -2.496 -5.509 598 HB2 LEU 75 1HB LEU 75 -2.611 -0.794 -3.660 599 HB3 LEU 75 2HB LEU 75 -3.900 0.052 -4.487 600 HG LEU 75 HG LEU 75 -5.412 -1.832 -4.060 601 HD11 LEU 75 1HD1 LEU 75 -3.104 -2.987 -2.499 602 HD12 LEU 75 2HD1 LEU 75 -3.747 -3.637 -4.005 603 HD13 LEU 75 3HD1 LEU 75 -4.746 -3.621 -2.551 604 HD21 LEU 75 3HD2 LEU 75 -5.591 -1.486 -1.643 605 HD22 LEU 75 1HD2 LEU 75 -5.303 0.025 -2.506 606 HD23 LEU 75 2HD2 LEU 75 -3.984 -0.758 -1.634 607 H ASP 76 H ASP 76 -4.955 -3.165 -6.034 608 HA ASP 76 HA ASP 76 -5.806 -1.589 -8.339 609 HB2 ASP 76 1HB ASP 76 -5.062 -4.083 -8.607 610 HB3 ASP 76 2HB ASP 76 -6.650 -4.449 -7.941 611 H ALA 77 H ALA 77 -8.311 -2.220 -8.757 612 HA ALA 77 HA ALA 77 -9.548 -0.507 -6.901 613 HB1 ALA 77 3HB ALA 77 -10.877 -2.188 -8.997 614 HB2 ALA 77 1HB ALA 77 -10.154 -0.602 -9.268 615 HB3 ALA 77 2HB ALA 77 -11.552 -0.764 -8.203 616 H ASP 78 H ASP 78 -9.867 -3.938 -7.372 617 HA ASP 78 HA ASP 78 -11.959 -4.652 -5.767 618 HB2 ASP 78 1HB ASP 78 -10.921 -6.836 -5.419 619 HB3 ASP 78 2HB ASP 78 -10.792 -6.316 -7.087 620 H ALA 79 H ALA 79 -8.898 -3.525 -4.602 621 HA ALA 79 HA ALA 79 -8.909 -4.534 -2.000 622 HB1 ALA 79 3HB ALA 79 -7.447 -2.667 -1.474 623 HB2 ALA 79 1HB ALA 79 -7.881 -1.895 -2.995 624 HB3 ALA 79 2HB ALA 79 -7.001 -3.425 -3.006 625 H ARG 80 H ARG 80 -10.649 -1.860 -3.415 626 HA ARG 80 HA ARG 80 -11.446 -0.655 -0.950 627 HB2 ARG 80 1HB ARG 80 -12.950 0.694 -2.279 628 HB3 ARG 80 2HB ARG 80 -11.433 0.539 -3.150 629 HG2 ARG 80 1HG ARG 80 -12.575 -1.393 -4.386 630 HG3 ARG 80 2HG ARG 80 -14.074 -0.737 -3.733 631 HD2 ARG 80 1HD ARG 80 -12.066 0.746 -5.384 632 HD3 ARG 80 2HD ARG 80 -13.546 0.055 -6.006 633 HE ARG 80 HE ARG 80 -13.785 1.961 -3.799 634 HH11 ARG 80 1HH1 ARG 80 -14.022 1.465 -7.295 635 HH12 ARG 80 2HH1 ARG 80 -14.929 2.868 -7.577 636 HH21 ARG 80 1HH2 ARG 80 -15.082 3.916 -4.194 637 HH22 ARG 80 2HH2 ARG 80 -15.544 4.288 -5.775 638 H ARG 81 H ARG 81 -12.597 -3.290 -2.847 639 HA ARG 81 HA ARG 81 -15.185 -3.472 -1.562 640 HB2 ARG 81 1HB ARG 81 -14.545 -4.244 -3.973 641 HB3 ARG 81 2HB ARG 81 -13.769 -5.607 -3.199 642 HG2 ARG 81 1HG ARG 81 -16.708 -4.960 -2.935 643 HG3 ARG 81 2HG ARG 81 -16.043 -6.070 -4.124 644 HD2 ARG 81 1HD ARG 81 -15.252 -7.521 -2.374 645 HD3 ARG 81 2HD ARG 81 -15.775 -6.370 -1.136 646 HE ARG 81 HE ARG 81 -18.015 -6.874 -2.534 647 HH11 ARG 81 1HH1 ARG 81 -15.674 -9.000 -0.953 648 HH12 ARG 81 2HH1 ARG 81 -16.782 -10.213 -0.526 649 HH21 ARG 81 1HH2 ARG 81 -19.588 -8.521 -1.970 650 HH22 ARG 81 2HH2 ARG 81 -19.095 -9.944 -1.182 651 H ALA 82 H ALA 82 -12.024 -4.918 -1.470 652 HA ALA 82 HA ALA 82 -12.416 -6.917 0.423 653 HB1 ALA 82 3HB ALA 82 -9.985 -5.278 -0.221 654 HB2 ALA 82 1HB ALA 82 -10.452 -6.788 -0.984 655 HB3 ALA 82 2HB ALA 82 -9.944 -6.762 0.714 656 H VAL 83 H VAL 83 -11.652 -3.478 0.844 657 HA VAL 83 HA VAL 83 -11.808 -3.876 3.733 658 HB VAL 83 HB VAL 83 -10.990 -1.564 4.002 659 HG11 VAL 83 1HG1 VAL 83 -9.272 -3.240 2.180 660 HG12 VAL 83 2HG1 VAL 83 -9.418 -3.419 3.927 661 HG13 VAL 83 3HG1 VAL 83 -8.709 -1.954 3.254 662 HG21 VAL 83 3HG2 VAL 83 -10.142 -0.310 2.059 663 HG22 VAL 83 1HG2 VAL 83 -11.884 -0.568 1.953 664 HG23 VAL 83 2HG2 VAL 83 -10.785 -1.551 0.985 665 H ALA 84 H ALA 84 -14.042 -3.601 1.596 666 HA ALA 84 HA ALA 84 -16.221 -2.960 1.516 667 HB1 ALA 84 3HB ALA 84 -15.902 -2.623 4.500 668 HB2 ALA 84 1HB ALA 84 -16.254 -4.139 3.667 669 HB3 ALA 84 2HB ALA 84 -17.420 -2.815 3.622 670 H SER 85 H SER 85 -14.252 -0.869 1.163 671 HA SER 85 HA SER 85 -15.888 1.417 1.971 672 HB2 SER 85 1HB SER 85 -12.873 1.393 1.671 673 HB3 SER 85 2HB SER 85 -13.860 2.757 2.190 674 HG SER 85 HG SER 85 -13.879 0.284 3.537 675 H HIS 86 H HIS 86 -16.983 1.198 0.011 676 HA HIS 86 HA HIS 86 -15.433 1.607 -2.450 677 HB2 HIS 86 1HB HIS 86 -18.452 1.324 -2.204 678 HB3 HIS 86 2HB HIS 86 -17.490 1.254 -3.657 679 HD1 HIS 86 HD1 HIS 86 -18.655 -0.871 -0.806 680 HD2 HIS 86 HD2 HIS 86 -16.146 -1.144 -4.108 681 HE1 HIS 86 HE1 HIS 86 -18.229 -3.303 -1.156 682 H ASP 87 H ASP 87 -18.298 2.846 -0.936 683 HA ASP 87 HA ASP 87 -17.508 5.607 -1.551 684 HB2 ASP 87 1HB ASP 87 -20.187 4.285 -1.977 685 HB3 ASP 87 2HB ASP 87 -20.041 6.024 -1.765 686 H GLU 88 H GLU 88 -19.389 3.374 0.349 687 HA GLU 88 HA GLU 88 -19.580 5.223 2.576 688 HB2 GLU 88 1HB GLU 88 -20.699 2.458 2.087 689 HB3 GLU 88 2HB GLU 88 -20.920 3.359 3.574 690 HG2 GLU 88 1HG GLU 88 -21.875 4.194 0.850 691 HG3 GLU 88 2HG GLU 88 -22.876 3.498 2.131 692 H LEU 89 H LEU 89 -18.751 4.571 4.619 693 HA LEU 89 HA LEU 89 -16.710 2.490 4.498 694 HB2 LEU 89 1HB LEU 89 -16.509 5.174 5.896 695 HB3 LEU 89 2HB LEU 89 -15.382 3.862 6.127 696 HG LEU 89 HG LEU 89 -14.803 4.115 3.654 697 HD11 LEU 89 1HD1 LEU 89 -15.254 6.284 2.615 698 HD12 LEU 89 2HD1 LEU 89 -16.273 6.728 3.980 699 HD13 LEU 89 3HD1 LEU 89 -16.742 5.395 2.931 700 HD21 LEU 89 3HD2 LEU 89 -13.347 4.874 5.433 701 HD22 LEU 89 1HD2 LEU 89 -14.228 6.398 5.529 702 HD23 LEU 89 2HD2 LEU 89 -13.306 6.002 4.079 Start of MODEL 14 1 H1 MET 1 1H MET 1 -10.390 -22.471 1.918 2 H2 MET 1 2H MET 1 -11.671 -23.048 1.048 3 H3 MET 1 3H MET 1 -11.361 -23.711 2.568 4 HA MET 1 HA MET 1 -13.243 -22.214 2.638 5 HB2 MET 1 1HB MET 1 -10.718 -21.060 3.863 6 HB3 MET 1 2HB MET 1 -12.304 -20.395 4.175 7 HG2 MET 1 1HG MET 1 -12.991 -22.489 5.202 8 HG3 MET 1 2HG MET 1 -11.424 -23.197 4.818 9 HE1 MET 1 3HE MET 1 -12.859 -22.993 7.778 10 HE2 MET 1 1HE MET 1 -11.423 -22.709 8.759 11 HE3 MET 1 2HE MET 1 -11.383 -23.891 7.444 12 H GLU 2 H GLU 2 -13.724 -19.744 2.634 13 HA GLU 2 HA GLU 2 -13.344 -18.863 -0.047 14 HB2 GLU 2 1HB GLU 2 -14.441 -17.349 2.322 15 HB3 GLU 2 2HB GLU 2 -14.635 -16.919 0.635 16 HG2 GLU 2 1HG GLU 2 -15.972 -18.905 0.264 17 HG3 GLU 2 2HG GLU 2 -15.744 -19.389 1.946 18 HA PRO 3 HA PRO 3 -9.455 -16.740 0.998 19 HB2 PRO 3 1HB PRO 3 -9.658 -15.890 -1.828 20 HB3 PRO 3 2HB PRO 3 -8.342 -16.741 -1.018 21 HG2 PRO 3 1HG PRO 3 -9.896 -18.021 -2.746 22 HG3 PRO 3 2HG PRO 3 -9.370 -18.813 -1.249 23 HD2 PRO 3 1HD PRO 3 -11.992 -17.494 -1.851 24 HD3 PRO 3 2HD PRO 3 -11.669 -19.079 -1.094 25 HA PRO 4 HA PRO 4 -11.561 -12.732 1.393 26 HB2 PRO 4 1HB PRO 4 -9.234 -11.996 3.016 27 HB3 PRO 4 2HB PRO 4 -10.920 -12.127 3.511 28 HG2 PRO 4 1HG PRO 4 -9.024 -13.868 4.343 29 HG3 PRO 4 2HG PRO 4 -10.712 -14.341 4.096 30 HD2 PRO 4 1HD PRO 4 -8.344 -14.770 2.314 31 HD3 PRO 4 2HD PRO 4 -9.686 -15.869 2.731 32 HA PRO 5 HA PRO 5 -9.549 -10.431 -1.805 33 HB2 PRO 5 1HB PRO 5 -9.740 -7.866 -0.638 34 HB3 PRO 5 2HB PRO 5 -10.904 -8.610 -1.736 35 HG2 PRO 5 1HG PRO 5 -10.935 -8.458 1.240 36 HG3 PRO 5 2HG PRO 5 -12.290 -8.423 0.098 37 HD2 PRO 5 1HD PRO 5 -11.761 -10.599 1.544 38 HD3 PRO 5 2HD PRO 5 -12.292 -10.740 -0.148 39 H LYS 6 H LYS 6 -7.468 -10.643 -2.063 40 HA LYS 6 HA LYS 6 -5.538 -10.007 -0.009 41 HB2 LYS 6 1HB LYS 6 -5.152 -10.920 -2.867 42 HB3 LYS 6 2HB LYS 6 -3.889 -10.811 -1.657 43 HG2 LYS 6 1HG LYS 6 -4.926 -12.601 -0.377 44 HG3 LYS 6 2HG LYS 6 -6.265 -12.670 -1.527 45 HD2 LYS 6 1HD LYS 6 -4.638 -13.203 -3.325 46 HD3 LYS 6 2HD LYS 6 -3.358 -13.231 -2.121 47 HE2 LYS 6 1HE LYS 6 -5.779 -15.026 -2.051 48 HE3 LYS 6 2HE LYS 6 -4.244 -15.484 -2.781 49 HZ1 LYS 6 3HZ LYS 6 -3.199 -15.195 -0.589 50 HZ2 LYS 6 1HZ LYS 6 -4.402 -16.353 -0.583 51 HZ3 LYS 6 2HZ LYS 6 -4.705 -14.864 0.100 52 H LEU 7 H LEU 7 -4.590 -8.065 0.159 53 HA LEU 7 HA LEU 7 -5.025 -6.160 -1.977 54 HB2 LEU 7 1HB LEU 7 -3.881 -5.802 0.790 55 HB3 LEU 7 2HB LEU 7 -4.178 -4.499 -0.350 56 HG LEU 7 HG LEU 7 -6.260 -6.237 0.982 57 HD11 LEU 7 1HD1 LEU 7 -6.931 -4.175 2.083 58 HD12 LEU 7 2HD1 LEU 7 -5.602 -3.326 1.300 59 HD13 LEU 7 3HD1 LEU 7 -5.262 -4.604 2.468 60 HD21 LEU 7 3HD2 LEU 7 -6.606 -3.955 -0.969 61 HD22 LEU 7 1HD2 LEU 7 -7.904 -4.744 -0.072 62 HD23 LEU 7 2HD2 LEU 7 -6.985 -5.653 -1.268 63 H VAL 8 H VAL 8 -3.606 -6.174 -3.503 64 HA VAL 8 HA VAL 8 -0.952 -7.211 -3.019 65 HB VAL 8 HB VAL 8 -2.269 -6.350 -5.608 66 HG11 VAL 8 1HG1 VAL 8 -0.480 -7.608 -6.704 67 HG12 VAL 8 2HG1 VAL 8 0.237 -7.947 -5.130 68 HG13 VAL 8 3HG1 VAL 8 0.173 -6.287 -5.728 69 HG21 VAL 8 3HG2 VAL 8 -1.894 -9.104 -4.443 70 HG22 VAL 8 1HG2 VAL 8 -2.546 -8.741 -6.039 71 HG23 VAL 8 2HG2 VAL 8 -3.424 -8.240 -4.588 72 H LEU 9 H LEU 9 0.524 -5.824 -2.337 73 HA LEU 9 HA LEU 9 0.412 -3.055 -3.218 74 HB2 LEU 9 1HB LEU 9 0.802 -3.644 -0.809 75 HB3 LEU 9 2HB LEU 9 2.266 -4.469 -1.282 76 HG LEU 9 HG LEU 9 3.187 -2.279 -2.058 77 HD11 LEU 9 1HD1 LEU 9 2.090 -0.226 -1.348 78 HD12 LEU 9 2HD1 LEU 9 0.728 -1.157 -0.730 79 HD13 LEU 9 3HD1 LEU 9 1.069 -1.139 -2.460 80 HD21 LEU 9 3HD2 LEU 9 2.302 -2.405 0.825 81 HD22 LEU 9 1HD2 LEU 9 3.616 -1.416 0.192 82 HD23 LEU 9 2HD2 LEU 9 3.740 -3.171 0.145 83 H ASP 10 H ASP 10 1.186 -2.969 -5.213 84 HA ASP 10 HA ASP 10 3.230 -4.697 -6.224 85 HB2 ASP 10 1HB ASP 10 1.362 -3.589 -7.564 86 HB3 ASP 10 2HB ASP 10 2.295 -2.107 -7.449 87 H LEU 11 H LEU 11 5.221 -4.483 -5.527 88 HA LEU 11 HA LEU 11 6.120 -2.037 -4.357 89 HB2 LEU 11 1HB LEU 11 7.623 -4.595 -4.854 90 HB3 LEU 11 2HB LEU 11 8.209 -3.245 -3.905 91 HG LEU 11 HG LEU 11 5.862 -5.018 -3.238 92 HD11 LEU 11 1HD1 LEU 11 7.239 -5.666 -1.321 93 HD12 LEU 11 2HD1 LEU 11 8.556 -4.682 -1.956 94 HD13 LEU 11 3HD1 LEU 11 7.984 -6.081 -2.864 95 HD21 LEU 11 3HD2 LEU 11 6.982 -2.655 -1.730 96 HD22 LEU 11 1HD2 LEU 11 5.752 -3.766 -1.134 97 HD23 LEU 11 2HD2 LEU 11 5.407 -2.736 -2.518 98 H GLU 12 H GLU 12 6.486 -3.621 -7.388 99 HA GLU 12 HA GLU 12 8.756 -2.223 -8.303 100 HB2 GLU 12 1HB GLU 12 6.450 -3.471 -9.786 101 HB3 GLU 12 2HB GLU 12 7.868 -2.805 -10.587 102 HG2 GLU 12 1HG GLU 12 7.886 -5.038 -8.586 103 HG3 GLU 12 2HG GLU 12 7.948 -5.248 -10.338 104 H ARG 13 H ARG 13 5.288 -1.597 -8.593 105 HA ARG 13 HA ARG 13 5.561 0.883 -9.948 106 HB2 ARG 13 1HB ARG 13 3.470 -0.453 -9.883 107 HB3 ARG 13 2HB ARG 13 3.299 -0.056 -8.175 108 HG2 ARG 13 1HG ARG 13 1.848 1.399 -9.352 109 HG3 ARG 13 2HG ARG 13 3.243 2.377 -8.893 110 HD2 ARG 13 1HD ARG 13 2.657 2.872 -11.176 111 HD3 ARG 13 2HD ARG 13 4.183 1.988 -11.162 112 HE ARG 13 HE ARG 13 1.620 0.648 -11.646 113 HH11 ARG 13 1HH1 ARG 13 4.944 1.358 -12.696 114 HH12 ARG 13 2HH1 ARG 13 4.917 0.261 -13.988 115 HH21 ARG 13 1HH2 ARG 13 1.572 -0.810 -13.481 116 HH22 ARG 13 2HH2 ARG 13 2.943 -1.018 -14.455 117 H LEU 14 H LEU 14 5.073 -0.025 -6.568 118 HA LEU 14 HA LEU 14 4.726 2.456 -5.399 119 HB2 LEU 14 1HB LEU 14 4.370 0.274 -4.294 120 HB3 LEU 14 2HB LEU 14 6.104 0.063 -4.212 121 HG LEU 14 HG LEU 14 6.226 2.095 -2.781 122 HD11 LEU 14 1HD1 LEU 14 4.188 2.877 -1.715 123 HD12 LEU 14 2HD1 LEU 14 3.230 1.846 -2.781 124 HD13 LEU 14 3HD1 LEU 14 4.180 3.175 -3.450 125 HD21 LEU 14 3HD2 LEU 14 6.249 -0.167 -1.840 126 HD22 LEU 14 1HD2 LEU 14 4.491 -0.143 -1.742 127 HD23 LEU 14 2HD2 LEU 14 5.449 0.978 -0.766 128 H ALA 15 H ALA 15 7.738 0.729 -6.067 129 HA ALA 15 HA ALA 15 9.438 2.484 -4.666 130 HB1 ALA 15 3HB ALA 15 10.069 0.191 -5.251 131 HB2 ALA 15 1HB ALA 15 11.265 1.365 -5.801 132 HB3 ALA 15 2HB ALA 15 10.137 0.651 -6.952 133 H THR 16 H THR 16 7.865 2.893 -7.663 134 HA THR 16 HA THR 16 9.873 4.744 -8.656 135 HB THR 16 HB THR 16 7.217 3.934 -9.870 136 HG1 THR 16 HG1 THR 16 9.267 2.422 -9.438 137 HG21 THR 16 3HG2 THR 16 8.166 5.999 -10.831 138 HG22 THR 16 1HG2 THR 16 8.234 4.668 -11.985 139 HG23 THR 16 2HG2 THR 16 9.694 5.162 -11.122 140 H VAL 17 H VAL 17 7.059 4.768 -6.740 141 HA VAL 17 HA VAL 17 6.131 7.390 -7.450 142 HB VAL 17 HB VAL 17 5.434 5.693 -5.020 143 HG11 VAL 17 1HG1 VAL 17 3.956 8.026 -6.243 144 HG12 VAL 17 2HG1 VAL 17 4.843 8.043 -4.720 145 HG13 VAL 17 3HG1 VAL 17 3.396 7.049 -4.887 146 HG21 VAL 17 3HG2 VAL 17 4.021 5.889 -7.682 147 HG22 VAL 17 1HG2 VAL 17 3.419 5.023 -6.268 148 HG23 VAL 17 2HG2 VAL 17 4.901 4.491 -7.065 149 HA PRO 18 HA PRO 18 9.196 9.808 -5.267 150 HB2 PRO 18 1HB PRO 18 6.730 11.390 -4.644 151 HB3 PRO 18 2HB PRO 18 8.324 11.959 -5.164 152 HG2 PRO 18 1HG PRO 18 6.364 11.790 -6.919 153 HG3 PRO 18 2HG PRO 18 7.998 11.269 -7.362 154 HD2 PRO 18 1HD PRO 18 5.588 9.626 -6.763 155 HD3 PRO 18 2HD PRO 18 6.944 9.301 -7.864 156 H ALA 19 H ALA 19 9.984 9.880 -3.291 157 HA ALA 19 HA ALA 19 9.019 8.340 -1.181 158 HB1 ALA 19 3HB ALA 19 10.854 9.258 0.127 159 HB2 ALA 19 1HB ALA 19 11.058 10.558 -1.046 160 HB3 ALA 19 2HB ALA 19 11.388 8.891 -1.514 161 H GLU 20 H GLU 20 8.482 11.646 -1.912 162 HA GLU 20 HA GLU 20 7.559 12.538 0.585 163 HB2 GLU 20 1HB GLU 20 6.978 13.439 -2.223 164 HB3 GLU 20 2HB GLU 20 6.418 14.305 -0.793 165 HG2 GLU 20 1HG GLU 20 8.560 14.870 -0.136 166 HG3 GLU 20 2HG GLU 20 9.299 13.605 -1.106 167 H LYS 21 H LYS 21 6.076 10.497 -1.757 168 HA LYS 21 HA LYS 21 3.550 10.662 -0.262 169 HB2 LYS 21 1HB LYS 21 3.969 9.558 -3.065 170 HB3 LYS 21 2HB LYS 21 2.467 9.554 -2.176 171 HG2 LYS 21 1HG LYS 21 2.406 11.987 -2.198 172 HG3 LYS 21 2HG LYS 21 3.942 12.015 -3.067 173 HD2 LYS 21 1HD LYS 21 2.939 10.811 -4.934 174 HD3 LYS 21 2HD LYS 21 1.412 10.699 -4.066 175 HE2 LYS 21 1HE LYS 21 2.738 13.268 -4.935 176 HE3 LYS 21 2HE LYS 21 1.414 12.476 -5.782 177 HZ1 LYS 21 3HZ LYS 21 0.565 14.233 -4.425 178 HZ2 LYS 21 1HZ LYS 21 1.302 13.628 -3.032 179 HZ3 LYS 21 2HZ LYS 21 0.057 12.784 -3.783 180 H ALA 22 H ALA 22 5.750 8.364 -1.860 181 HA ALA 22 HA ALA 22 4.471 6.175 -0.379 182 HB1 ALA 22 3HB ALA 22 5.404 4.709 -2.051 183 HB2 ALA 22 1HB ALA 22 6.242 6.068 -2.796 184 HB3 ALA 22 2HB ALA 22 4.478 6.009 -2.802 185 H GLY 23 H GLY 23 7.040 8.074 0.144 186 HA2 GLY 23 1HA GLY 23 9.297 6.442 0.359 187 HA3 GLY 23 2HA GLY 23 9.015 7.896 1.293 188 HA PRO 24 HA PRO 24 8.460 5.548 4.991 189 HB2 PRO 24 1HB PRO 24 5.950 6.051 5.971 190 HB3 PRO 24 2HB PRO 24 7.293 7.181 6.110 191 HG2 PRO 24 1HG PRO 24 5.054 7.157 4.126 192 HG3 PRO 24 2HG PRO 24 5.779 8.534 4.977 193 HD2 PRO 24 1HD PRO 24 6.391 7.955 2.415 194 HD3 PRO 24 2HD PRO 24 7.593 8.628 3.533 195 H LEU 25 H LEU 25 6.036 5.149 2.586 196 HA LEU 25 HA LEU 25 4.941 2.739 3.648 197 HB2 LEU 25 1HB LEU 25 3.575 4.196 2.240 198 HB3 LEU 25 2HB LEU 25 4.696 4.007 0.920 199 HG LEU 25 HG LEU 25 4.011 1.699 0.588 200 HD11 LEU 25 1HD1 LEU 25 3.640 1.072 2.926 201 HD12 LEU 25 2HD1 LEU 25 2.238 0.684 1.926 202 HD13 LEU 25 3HD1 LEU 25 2.208 2.100 2.975 203 HD21 LEU 25 3HD2 LEU 25 1.620 3.484 0.981 204 HD22 LEU 25 1HD2 LEU 25 1.694 2.047 -0.032 205 HD23 LEU 25 2HD2 LEU 25 2.658 3.469 -0.442 206 H GLN 26 H GLN 26 7.302 3.561 1.135 207 HA GLN 26 HA GLN 26 7.912 0.930 0.349 208 HB2 GLN 26 1HB GLN 26 9.651 3.404 0.372 209 HB3 GLN 26 2HB GLN 26 10.142 1.885 -0.349 210 HG2 GLN 26 1HG GLN 26 8.267 2.046 -1.926 211 HG3 GLN 26 2HG GLN 26 7.808 3.589 -1.202 212 HE21 GLN 26 2HE2 GLN 26 8.118 4.653 -3.192 213 HE22 GLN 26 1HE2 GLN 26 9.680 4.988 -3.804 214 H ARG 27 H ARG 27 9.177 2.988 2.888 215 HA ARG 27 HA ARG 27 11.196 1.277 3.847 216 HB2 ARG 27 1HB ARG 27 9.466 3.118 5.464 217 HB3 ARG 27 2HB ARG 27 10.960 2.407 6.029 218 HG2 ARG 27 1HG ARG 27 12.058 3.655 4.076 219 HG3 ARG 27 2HG ARG 27 10.539 4.545 3.968 220 HD2 ARG 27 1HD ARG 27 12.405 4.392 6.330 221 HD3 ARG 27 2HD ARG 27 12.083 5.802 5.329 222 HE ARG 27 HE ARG 27 9.720 4.806 6.610 223 HH11 ARG 27 1HH1 ARG 27 12.624 6.758 7.209 224 HH12 ARG 27 2HH1 ARG 27 11.929 7.664 8.463 225 HH21 ARG 27 1HH2 ARG 27 8.762 6.046 8.373 226 HH22 ARG 27 2HH2 ARG 27 9.684 7.257 9.126 227 H TYR 28 H TYR 28 7.829 1.622 4.849 228 HA TYR 28 HA TYR 28 7.873 -0.381 6.808 229 HB2 TYR 28 1HB TYR 28 6.065 1.441 6.381 230 HB3 TYR 28 2HB TYR 28 5.380 0.285 5.247 231 HD1 TYR 28 HD1 TYR 28 5.086 -2.170 6.277 232 HD2 TYR 28 HD2 TYR 28 5.255 1.395 8.551 233 HE1 TYR 28 HE1 TYR 28 3.965 -3.312 8.132 234 HE2 TYR 28 HE2 TYR 28 4.143 0.261 10.429 235 HH TYR 28 HH TYR 28 3.834 -3.088 10.551 236 H ALA 29 H ALA 29 6.938 -0.474 3.376 237 HA ALA 29 HA ALA 29 6.141 -3.130 3.213 238 HB1 ALA 29 3HB ALA 29 5.791 -1.478 1.428 239 HB2 ALA 29 1HB ALA 29 6.556 -2.948 0.822 240 HB3 ALA 29 2HB ALA 29 7.522 -1.498 1.090 241 H ALA 30 H ALA 30 9.367 -1.727 2.813 242 HA ALA 30 HA ALA 30 10.711 -4.134 2.202 243 HB1 ALA 30 3HB ALA 30 11.771 -1.647 3.533 244 HB2 ALA 30 1HB ALA 30 11.700 -1.938 1.796 245 HB3 ALA 30 2HB ALA 30 12.752 -2.924 2.817 246 H THR 31 H THR 31 9.721 -2.669 5.164 247 HA THR 31 HA THR 31 11.238 -4.343 6.904 248 HB THR 31 HB THR 31 8.705 -2.757 7.497 249 HG1 THR 31 HG1 THR 31 10.673 -1.637 6.630 250 HG21 THR 31 3HG2 THR 31 10.893 -3.752 9.350 251 HG22 THR 31 1HG2 THR 31 9.268 -4.426 9.241 252 HG23 THR 31 2HG2 THR 31 9.501 -2.781 9.827 253 H ILE 32 H ILE 32 7.937 -4.388 5.575 254 HA ILE 32 HA ILE 32 6.988 -6.696 6.886 255 HB ILE 32 HB ILE 32 6.278 -5.762 4.086 256 HG12 ILE 32 1HG1 ILE 32 4.955 -5.105 6.725 257 HG13 ILE 32 2HG1 ILE 32 5.932 -4.008 5.762 258 HG21 ILE 32 1HG2 ILE 32 5.543 -8.058 4.519 259 HG22 ILE 32 2HG2 ILE 32 4.151 -6.979 4.448 260 HG23 ILE 32 3HG2 ILE 32 4.751 -7.541 6.010 261 HD11 ILE 32 3HD1 ILE 32 3.301 -5.218 4.918 262 HD12 ILE 32 1HD1 ILE 32 4.275 -4.102 3.964 263 HD13 ILE 32 2HD1 ILE 32 3.547 -3.564 5.478 264 H GLN 33 H GLN 33 8.735 -6.223 3.852 265 HA GLN 33 HA GLN 33 8.852 -8.882 3.042 266 HB2 GLN 33 1HB GLN 33 10.874 -6.689 2.629 267 HB3 GLN 33 2HB GLN 33 10.971 -8.259 1.855 268 HG2 GLN 33 1HG GLN 33 8.781 -7.800 0.790 269 HG3 GLN 33 2HG GLN 33 8.836 -6.176 1.488 270 HE21 GLN 33 2HE2 GLN 33 10.222 -8.355 -0.833 271 HE22 GLN 33 1HE2 GLN 33 11.150 -7.161 -1.673 272 H SER 34 H SER 34 10.951 -7.087 5.220 273 HA SER 34 HA SER 34 12.812 -9.163 5.638 274 HB2 SER 34 1HB SER 34 13.216 -6.762 6.210 275 HB3 SER 34 2HB SER 34 12.057 -6.910 7.523 276 HG SER 34 HG SER 34 13.935 -7.265 8.477 277 H GLN 35 H GLN 35 9.882 -8.213 7.382 278 HA GLN 35 HA GLN 35 9.987 -10.157 9.416 279 HB2 GLN 35 1HB GLN 35 7.589 -8.770 8.201 280 HB3 GLN 35 2HB GLN 35 7.585 -9.663 9.715 281 HG2 GLN 35 1HG GLN 35 9.090 -8.077 10.713 282 HG3 GLN 35 2HG GLN 35 9.278 -7.230 9.180 283 HE21 GLN 35 2HE2 GLN 35 8.422 -6.202 11.708 284 HE22 GLN 35 1HE2 GLN 35 6.853 -5.541 11.523 285 H ARG 36 H ARG 36 9.017 -10.365 6.111 286 HA ARG 36 HA ARG 36 7.683 -12.931 6.488 287 HB2 ARG 36 1HB ARG 36 6.772 -11.155 4.968 288 HB3 ARG 36 2HB ARG 36 8.178 -11.384 3.940 289 HG2 ARG 36 1HG ARG 36 7.497 -13.753 3.634 290 HG3 ARG 36 2HG ARG 36 6.044 -13.399 4.568 291 HD2 ARG 36 1HD ARG 36 5.478 -11.637 2.897 292 HD3 ARG 36 2HD ARG 36 6.849 -12.176 1.929 293 HE ARG 36 HE ARG 36 4.728 -14.035 2.680 294 HH11 ARG 36 1HH1 ARG 36 6.681 -12.501 0.051 295 HH12 ARG 36 2HH1 ARG 36 5.839 -13.309 -1.157 296 HH21 ARG 36 1HH2 ARG 36 3.637 -15.146 0.895 297 HH22 ARG 36 2HH2 ARG 36 4.131 -14.820 -0.697 298 H GLY 37 H GLY 37 10.792 -11.709 5.722 299 HA2 GLY 37 1HA GLY 37 12.727 -12.747 4.990 300 HA3 GLY 37 2HA GLY 37 11.880 -14.296 5.118 301 H ASP 38 H ASP 38 11.015 -11.448 3.342 302 HA ASP 38 HA ASP 38 10.447 -13.041 0.990 303 HB2 ASP 38 1HB ASP 38 8.736 -11.493 1.790 304 HB3 ASP 38 2HB ASP 38 9.855 -10.150 1.617 305 H TYR 39 H TYR 39 11.346 -12.776 -0.949 306 HA TYR 39 HA TYR 39 13.374 -10.722 -1.387 307 HB2 TYR 39 1HB TYR 39 14.764 -12.542 -2.554 308 HB3 TYR 39 2HB TYR 39 14.757 -12.560 -0.795 309 HD1 TYR 39 HD1 TYR 39 13.336 -14.226 -3.803 310 HD2 TYR 39 HD2 TYR 39 13.967 -14.442 0.397 311 HE1 TYR 39 HE1 TYR 39 12.603 -16.576 -3.813 312 HE2 TYR 39 HE2 TYR 39 13.238 -16.784 0.393 313 HH TYR 39 HH TYR 39 12.914 -18.610 -2.400 314 H ASN 40 H ASN 40 10.545 -11.574 -2.229 315 HA ASN 40 HA ASN 40 10.985 -11.575 -5.139 316 HB2 ASN 40 1HB ASN 40 10.181 -13.794 -4.271 317 HB3 ASN 40 2HB ASN 40 8.763 -12.985 -3.614 318 HD21 ASN 40 2HD2 ASN 40 7.463 -14.360 -4.873 319 HD22 ASN 40 1HD2 ASN 40 7.248 -14.078 -6.563 320 H GLY 41 H GLY 41 10.911 -9.328 -3.796 321 HA2 GLY 41 1HA GLY 41 8.303 -8.312 -3.306 322 HA3 GLY 41 2HA GLY 41 9.805 -7.421 -3.228 323 H LYS 42 H LYS 42 8.100 -9.055 -5.862 324 HA LYS 42 HA LYS 42 8.247 -6.621 -7.459 325 HB2 LYS 42 1HB LYS 42 7.248 -9.404 -7.998 326 HB3 LYS 42 2HB LYS 42 6.644 -8.094 -8.995 327 HG2 LYS 42 1HG LYS 42 8.469 -9.262 -10.078 328 HG3 LYS 42 2HG LYS 42 8.918 -7.600 -9.716 329 HD2 LYS 42 1HD LYS 42 10.126 -8.412 -7.719 330 HD3 LYS 42 2HD LYS 42 9.722 -10.065 -8.182 331 HE2 LYS 42 1HE LYS 42 10.944 -9.850 -10.242 332 HE3 LYS 42 2HE LYS 42 11.223 -8.141 -9.939 333 HZ1 LYS 42 3HZ LYS 42 12.521 -8.702 -8.038 334 HZ2 LYS 42 1HZ LYS 42 13.157 -9.442 -9.407 335 HZ3 LYS 42 2HZ LYS 42 12.288 -10.356 -8.269 336 H VAL 43 H VAL 43 5.955 -8.721 -5.918 337 HA VAL 43 HA VAL 43 4.230 -6.471 -5.394 338 HB VAL 43 HB VAL 43 2.223 -7.935 -5.651 339 HG11 VAL 43 1HG1 VAL 43 3.832 -7.678 -8.180 340 HG12 VAL 43 2HG1 VAL 43 2.779 -6.449 -7.483 341 HG13 VAL 43 3HG1 VAL 43 2.093 -7.952 -8.098 342 HG21 VAL 43 3HG2 VAL 43 2.361 -10.044 -6.906 343 HG22 VAL 43 1HG2 VAL 43 3.278 -10.128 -5.401 344 HG23 VAL 43 2HG2 VAL 43 4.115 -9.906 -6.941 345 H LEU 44 H LEU 44 3.337 -6.595 -3.370 346 HA LEU 44 HA LEU 44 4.190 -8.851 -1.708 347 HB2 LEU 44 1HB LEU 44 5.499 -6.819 -1.265 348 HB3 LEU 44 2HB LEU 44 4.028 -5.918 -0.998 349 HG LEU 44 HG LEU 44 3.565 -7.343 0.985 350 HD11 LEU 44 1HD1 LEU 44 5.372 -8.717 1.901 351 HD12 LEU 44 2HD1 LEU 44 6.325 -8.439 0.440 352 HD13 LEU 44 3HD1 LEU 44 4.807 -9.331 0.349 353 HD21 LEU 44 3HD2 LEU 44 6.226 -5.925 0.992 354 HD22 LEU 44 1HD2 LEU 44 5.252 -6.320 2.407 355 HD23 LEU 44 2HD2 LEU 44 4.647 -5.172 1.214 356 H SER 45 H SER 45 2.494 -9.832 -0.830 357 HA SER 45 HA SER 45 -0.121 -8.653 -1.166 358 HB2 SER 45 1HB SER 45 0.626 -11.277 0.117 359 HB3 SER 45 2HB SER 45 -0.960 -10.801 -0.496 360 HG SER 45 HG SER 45 1.337 -10.877 -2.138 361 H ILE 46 H ILE 46 -0.673 -7.171 0.288 362 HA ILE 46 HA ILE 46 0.116 -7.616 3.046 363 HB ILE 46 HB ILE 46 -0.541 -5.258 3.479 364 HG12 ILE 46 1HG1 ILE 46 -0.914 -5.093 0.469 365 HG13 ILE 46 2HG1 ILE 46 -2.197 -5.011 1.669 366 HG21 ILE 46 1HG2 ILE 46 1.773 -5.786 3.016 367 HG22 ILE 46 2HG2 ILE 46 1.366 -4.211 2.333 368 HG23 ILE 46 3HG2 ILE 46 1.487 -5.623 1.283 369 HD11 ILE 46 3HD1 ILE 46 -1.629 -2.813 0.810 370 HD12 ILE 46 1HD1 ILE 46 0.038 -3.023 1.351 371 HD13 ILE 46 2HD1 ILE 46 -1.268 -2.938 2.534 372 H ARG 47 H ARG 47 -1.667 -6.661 4.572 373 HA ARG 47 HA ARG 47 -3.989 -8.302 3.869 374 HB2 ARG 47 1HB ARG 47 -3.195 -7.478 6.688 375 HB3 ARG 47 2HB ARG 47 -4.403 -8.639 6.210 376 HG2 ARG 47 1HG ARG 47 -2.631 -9.944 6.959 377 HG3 ARG 47 2HG ARG 47 -2.505 -10.001 5.204 378 HD2 ARG 47 1HD ARG 47 -0.815 -8.177 5.332 379 HD3 ARG 47 2HD ARG 47 -0.870 -8.314 7.087 380 HE ARG 47 HE ARG 47 -0.353 -10.751 5.685 381 HH11 ARG 47 1HH1 ARG 47 1.154 -7.836 7.100 382 HH12 ARG 47 2HH1 ARG 47 2.635 -8.594 7.418 383 HH21 ARG 47 1HH2 ARG 47 1.697 -11.774 6.103 384 HH22 ARG 47 2HH2 ARG 47 2.945 -10.908 6.864 385 H GLN 48 H GLN 48 -6.019 -7.579 4.938 386 HA GLN 48 HA GLN 48 -6.708 -4.988 4.050 387 HB2 GLN 48 1HB GLN 48 -8.165 -6.774 6.009 388 HB3 GLN 48 2HB GLN 48 -8.864 -5.448 5.094 389 HG2 GLN 48 1HG GLN 48 -8.567 -6.623 3.029 390 HG3 GLN 48 2HG GLN 48 -7.663 -7.905 3.828 391 HE21 GLN 48 2HE2 GLN 48 -9.071 -9.509 3.220 392 HE22 GLN 48 1HE2 GLN 48 -10.659 -9.658 3.896 393 H ASP 49 H ASP 49 -6.308 -6.393 7.248 394 HA ASP 49 HA ASP 49 -6.583 -4.006 8.716 395 HB2 ASP 49 1HB ASP 49 -6.939 -6.098 9.816 396 HB3 ASP 49 2HB ASP 49 -5.331 -6.668 9.396 397 H ASP 50 H ASP 50 -3.932 -5.432 7.056 398 HA ASP 50 HA ASP 50 -1.807 -4.100 8.430 399 HB2 ASP 50 1HB ASP 50 -1.802 -6.106 6.653 400 HB3 ASP 50 2HB ASP 50 -1.513 -4.778 5.536 401 H LEU 51 H LEU 51 -3.573 -3.473 5.418 402 HA LEU 51 HA LEU 51 -2.310 -1.000 4.859 403 HB2 LEU 51 1HB LEU 51 -3.549 -2.433 3.198 404 HB3 LEU 51 2HB LEU 51 -5.043 -1.904 3.941 405 HG LEU 51 HG LEU 51 -4.485 0.435 3.317 406 HD11 LEU 51 1HD1 LEU 51 -2.717 0.803 1.648 407 HD12 LEU 51 2HD1 LEU 51 -2.188 -0.864 1.862 408 HD13 LEU 51 3HD1 LEU 51 -2.084 0.279 3.204 409 HD21 LEU 51 3HD2 LEU 51 -4.516 -1.503 1.005 410 HD22 LEU 51 1HD2 LEU 51 -4.979 0.194 0.944 411 HD23 LEU 51 2HD2 LEU 51 -5.940 -0.944 1.888 412 H ARG 52 H ARG 52 -5.197 -1.917 6.589 413 HA ARG 52 HA ARG 52 -6.415 0.485 7.276 414 HB2 ARG 52 1HB ARG 52 -7.277 -1.731 7.841 415 HB3 ARG 52 2HB ARG 52 -5.909 -2.016 8.888 416 HG2 ARG 52 1HG ARG 52 -6.777 -0.269 10.423 417 HG3 ARG 52 2HG ARG 52 -8.194 -0.105 9.374 418 HD2 ARG 52 1HD ARG 52 -8.702 -2.471 9.659 419 HD3 ARG 52 2HD ARG 52 -7.299 -2.684 10.686 420 HE ARG 52 HE ARG 52 -9.104 -0.708 11.673 421 HH11 ARG 52 1HH1 ARG 52 -8.472 -4.197 11.564 422 HH12 ARG 52 2HH1 ARG 52 -9.438 -4.589 12.905 423 HH21 ARG 52 1HH2 ARG 52 -10.447 -1.247 13.569 424 HH22 ARG 52 2HH2 ARG 52 -10.599 -2.865 14.070 425 H THR 53 H THR 53 -3.688 -1.164 8.749 426 HA THR 53 HA THR 53 -3.141 0.644 10.844 427 HB THR 53 HB THR 53 -1.332 -1.312 9.414 428 HG1 THR 53 HG1 THR 53 -3.043 -2.430 10.168 429 HG21 THR 53 3HG2 THR 53 -0.105 -1.383 11.573 430 HG22 THR 53 1HG2 THR 53 -1.132 -0.089 12.183 431 HG23 THR 53 2HG2 THR 53 -0.046 0.213 10.828 432 H LEU 54 H LEU 54 -1.691 0.142 7.651 433 HA LEU 54 HA LEU 54 0.269 2.096 7.712 434 HB2 LEU 54 1HB LEU 54 -1.222 0.865 5.419 435 HB3 LEU 54 2HB LEU 54 0.119 1.971 5.195 436 HG LEU 54 HG LEU 54 0.378 -0.617 6.737 437 HD11 LEU 54 1HD1 LEU 54 1.075 -0.024 3.858 438 HD12 LEU 54 2HD1 LEU 54 -0.220 -1.094 4.394 439 HD13 LEU 54 3HD1 LEU 54 1.461 -1.505 4.732 440 HD21 LEU 54 3HD2 LEU 54 2.027 1.039 7.283 441 HD22 LEU 54 1HD2 LEU 54 2.369 1.305 5.570 442 HD23 LEU 54 2HD2 LEU 54 2.748 -0.243 6.318 443 H ALA 55 H ALA 55 -3.055 2.380 6.497 444 HA ALA 55 HA ALA 55 -2.947 4.919 5.414 445 HB1 ALA 55 3HB ALA 55 -5.356 5.006 5.692 446 HB2 ALA 55 1HB ALA 55 -5.284 3.713 6.890 447 HB3 ALA 55 2HB ALA 55 -4.864 3.382 5.211 448 H VAL 56 H VAL 56 -3.374 4.050 8.782 449 HA VAL 56 HA VAL 56 -4.057 6.662 9.664 450 HB VAL 56 HB VAL 56 -2.896 4.379 11.294 451 HG11 VAL 56 1HG1 VAL 56 -2.758 6.514 12.463 452 HG12 VAL 56 2HG1 VAL 56 -3.967 5.472 13.216 453 HG13 VAL 56 3HG1 VAL 56 -4.474 6.799 12.173 454 HG21 VAL 56 3HG2 VAL 56 -4.936 3.676 10.155 455 HG22 VAL 56 1HG2 VAL 56 -5.785 5.091 10.776 456 HG23 VAL 56 2HG2 VAL 56 -5.219 3.844 11.887 457 H ILE 57 H ILE 57 -1.056 4.966 9.166 458 HA ILE 57 HA ILE 57 0.657 6.644 10.690 459 HB ILE 57 HB ILE 57 1.411 5.080 8.195 460 HG12 ILE 57 1HG1 ILE 57 1.339 4.134 11.079 461 HG13 ILE 57 2HG1 ILE 57 0.295 3.613 9.755 462 HG21 ILE 57 1HG2 ILE 57 3.128 6.647 8.894 463 HG22 ILE 57 2HG2 ILE 57 3.659 4.995 9.205 464 HG23 ILE 57 3HG2 ILE 57 3.085 6.002 10.535 465 HD11 ILE 57 3HD1 ILE 57 2.231 2.639 8.613 466 HD12 ILE 57 1HD1 ILE 57 2.017 1.948 10.221 467 HD13 ILE 57 2HD1 ILE 57 3.269 3.152 9.935 468 H TYR 58 H TYR 58 -0.701 6.846 7.489 469 HA TYR 58 HA TYR 58 1.071 9.088 6.819 470 HB2 TYR 58 1HB TYR 58 -0.849 7.700 4.946 471 HB3 TYR 58 2HB TYR 58 0.526 8.717 4.523 472 HD1 TYR 58 HD2 TYR 58 2.656 7.615 6.224 473 HD2 TYR 58 HD1 TYR 58 -0.384 5.608 4.040 474 HE1 TYR 58 HE2 TYR 58 4.032 5.584 6.173 475 HE2 TYR 58 HE1 TYR 58 0.996 3.579 3.981 476 HH TYR 58 HH TYR 58 3.711 3.183 5.951 477 H ASP 59 H ASP 59 -1.665 8.829 8.423 478 HA ASP 59 HA ASP 59 -3.423 10.124 8.924 479 HB2 ASP 59 1HB ASP 59 -1.812 12.226 7.467 480 HB3 ASP 59 2HB ASP 59 -3.302 12.544 8.352 481 H GLN 60 H GLN 60 -3.501 8.584 6.546 482 HA GLN 60 HA GLN 60 -5.228 10.209 4.855 483 HB2 GLN 60 1HB GLN 60 -3.719 7.669 4.324 484 HB3 GLN 60 2HB GLN 60 -5.015 8.230 3.279 485 HG2 GLN 60 1HG GLN 60 -2.569 9.862 3.913 486 HG3 GLN 60 2HG GLN 60 -2.705 8.803 2.511 487 HE21 GLN 60 2HE2 GLN 60 -2.550 10.455 1.032 488 HE22 GLN 60 1HE2 GLN 60 -3.793 11.613 0.778 489 H SER 61 H SER 61 -7.263 9.754 4.625 490 HA SER 61 HA SER 61 -8.656 7.995 6.302 491 HB2 SER 61 1HB SER 61 -9.732 9.949 5.294 492 HB3 SER 61 2HB SER 61 -9.409 9.329 3.679 493 HG SER 61 HG SER 61 -11.306 8.589 5.558 494 HA PRO 62 HA PRO 62 -7.710 4.062 4.341 495 HB2 PRO 62 1HB PRO 62 -10.601 3.540 4.905 496 HB3 PRO 62 2HB PRO 62 -9.198 2.521 5.249 497 HG2 PRO 62 1HG PRO 62 -10.334 3.891 7.207 498 HG3 PRO 62 2HG PRO 62 -8.568 3.781 7.098 499 HD2 PRO 62 1HD PRO 62 -10.364 6.068 6.429 500 HD3 PRO 62 2HD PRO 62 -8.732 6.077 7.130 501 H SER 63 H SER 63 -10.812 5.619 3.567 502 HA SER 63 HA SER 63 -11.378 4.400 1.145 503 HB2 SER 63 1HB SER 63 -11.963 7.260 1.893 504 HB3 SER 63 2HB SER 63 -12.931 6.185 0.881 505 HG SER 63 HG SER 63 -13.580 5.080 2.614 506 H VAL 64 H VAL 64 -9.511 7.325 1.903 507 HA VAL 64 HA VAL 64 -9.022 8.008 -0.847 508 HB VAL 64 HB VAL 64 -7.739 9.114 1.674 509 HG11 VAL 64 1HG1 VAL 64 -7.116 11.038 0.282 510 HG12 VAL 64 2HG1 VAL 64 -7.775 10.222 -1.136 511 HG13 VAL 64 3HG1 VAL 64 -6.374 9.547 -0.304 512 HG21 VAL 64 3HG2 VAL 64 -10.165 9.460 1.636 513 HG22 VAL 64 1HG2 VAL 64 -10.037 10.179 0.035 514 HG23 VAL 64 2HG2 VAL 64 -9.305 10.985 1.422 515 H LEU 65 H LEU 65 -7.127 6.662 1.789 516 HA LEU 65 HA LEU 65 -4.639 6.542 0.565 517 HB2 LEU 65 1HB LEU 65 -5.177 6.154 2.993 518 HB3 LEU 65 2HB LEU 65 -5.795 4.586 2.560 519 HG LEU 65 HG LEU 65 -3.547 4.546 3.628 520 HD11 LEU 65 1HD1 LEU 65 -2.457 3.001 2.111 521 HD12 LEU 65 2HD1 LEU 65 -3.620 3.442 0.854 522 HD13 LEU 65 3HD1 LEU 65 -4.173 2.660 2.331 523 HD21 LEU 65 3HD2 LEU 65 -2.598 6.572 2.722 524 HD22 LEU 65 1HD2 LEU 65 -2.630 5.888 1.094 525 HD23 LEU 65 2HD2 LEU 65 -1.582 5.188 2.324 526 H THR 66 H THR 66 -7.122 3.982 0.741 527 HA THR 66 HA THR 66 -5.754 2.079 -0.729 528 HB THR 66 HB THR 66 -8.758 2.458 -0.614 529 HG1 THR 66 HG1 THR 66 -8.176 2.342 1.480 530 HG21 THR 66 3HG2 THR 66 -7.987 0.758 -2.225 531 HG22 THR 66 1HG2 THR 66 -8.816 0.018 -0.855 532 HG23 THR 66 2HG2 THR 66 -7.056 -0.023 -0.948 533 H GLU 67 H GLU 67 -8.044 4.602 -1.829 534 HA GLU 67 HA GLU 67 -7.921 3.677 -4.489 535 HB2 GLU 67 1HB GLU 67 -9.030 6.234 -3.385 536 HB3 GLU 67 2HB GLU 67 -9.093 5.801 -5.088 537 HG2 GLU 67 1HG GLU 67 -10.276 3.696 -4.405 538 HG3 GLU 67 2HG GLU 67 -10.381 4.377 -2.784 539 H GLN 68 H GLN 68 -5.983 5.989 -2.727 540 HA GLN 68 HA GLN 68 -4.752 7.179 -4.931 541 HB2 GLN 68 1HB GLN 68 -3.795 6.585 -2.140 542 HB3 GLN 68 2HB GLN 68 -2.753 7.355 -3.324 543 HG2 GLN 68 1HG GLN 68 -5.398 8.414 -2.353 544 HG3 GLN 68 2HG GLN 68 -3.810 8.982 -1.837 545 HE21 GLN 68 2HE2 GLN 68 -5.942 10.419 -3.149 546 HE22 GLN 68 1HE2 GLN 68 -5.317 11.047 -4.619 547 H LEU 69 H LEU 69 -3.803 4.376 -3.013 548 HA LEU 69 HA LEU 69 -1.643 3.624 -4.600 549 HB2 LEU 69 1HB LEU 69 -3.367 2.156 -2.635 550 HB3 LEU 69 2HB LEU 69 -2.182 1.279 -3.569 551 HG LEU 69 HG LEU 69 -1.397 1.808 -1.306 552 HD11 LEU 69 1HD1 LEU 69 0.221 1.497 -3.040 553 HD12 LEU 69 2HD1 LEU 69 0.775 2.725 -1.902 554 HD13 LEU 69 3HD1 LEU 69 0.134 3.205 -3.473 555 HD21 LEU 69 3HD2 LEU 69 -2.526 3.947 -0.948 556 HD22 LEU 69 1HD2 LEU 69 -1.505 4.697 -2.173 557 HD23 LEU 69 2HD2 LEU 69 -0.790 4.094 -0.674 558 H ILE 70 H ILE 70 -5.059 2.656 -4.833 559 HA ILE 70 HA ILE 70 -4.785 0.798 -6.893 560 HB ILE 70 HB ILE 70 -7.083 2.737 -6.402 561 HG12 ILE 70 1HG1 ILE 70 -6.868 -0.199 -5.726 562 HG13 ILE 70 2HG1 ILE 70 -6.608 1.109 -4.570 563 HG21 ILE 70 1HG2 ILE 70 -7.190 1.977 -8.709 564 HG22 ILE 70 2HG2 ILE 70 -8.496 1.253 -7.769 565 HG23 ILE 70 3HG2 ILE 70 -7.076 0.294 -8.185 566 HD11 ILE 70 3HD1 ILE 70 -8.944 1.814 -4.917 567 HD12 ILE 70 1HD1 ILE 70 -8.821 0.163 -4.317 568 HD13 ILE 70 2HD1 ILE 70 -9.172 0.462 -6.018 569 H SER 71 H SER 71 -5.300 4.362 -6.959 570 HA SER 71 HA SER 71 -5.487 4.707 -9.741 571 HB2 SER 71 1HB SER 71 -4.779 6.712 -7.599 572 HB3 SER 71 2HB SER 71 -5.214 7.111 -9.263 573 HG SER 71 HG SER 71 -6.768 6.043 -7.195 574 H TRP 72 H TRP 72 -2.687 4.780 -7.581 575 HA TRP 72 HA TRP 72 -0.859 5.822 -9.505 576 HB2 TRP 72 1HB TRP 72 -0.343 4.031 -7.133 577 HB3 TRP 72 2HB TRP 72 0.903 4.877 -8.029 578 HD1 TRP 72 HD1 TRP 72 -1.485 7.488 -7.857 579 HE1 TRP 72 HE1 TRP 72 -1.280 8.922 -5.735 580 HE3 TRP 72 HE3 TRP 72 1.329 4.325 -5.149 581 HZ2 TRP 72 HZ2 TRP 72 0.029 8.721 -3.174 582 HZ3 TRP 72 HZ3 TRP 72 2.063 4.981 -2.852 583 HH2 TRP 72 HH2 TRP 72 1.412 7.127 -1.900 584 H GLY 73 H GLY 73 -2.347 2.878 -9.096 585 HA2 GLY 73 1HA GLY 73 -2.401 1.126 -10.703 586 HA3 GLY 73 2HA GLY 73 -0.875 1.720 -11.349 587 H VAL 74 H VAL 74 -1.574 1.218 -8.017 588 HA VAL 74 HA VAL 74 0.575 -0.706 -7.869 589 HB VAL 74 HB VAL 74 -0.977 0.736 -5.691 590 HG11 VAL 74 1HG1 VAL 74 -0.217 -1.430 -4.882 591 HG12 VAL 74 2HG1 VAL 74 0.703 -0.113 -4.148 592 HG13 VAL 74 3HG1 VAL 74 1.419 -1.064 -5.447 593 HG21 VAL 74 3HG2 VAL 74 0.511 2.168 -6.999 594 HG22 VAL 74 1HG2 VAL 74 1.854 1.083 -6.659 595 HG23 VAL 74 2HG2 VAL 74 1.092 1.976 -5.342 596 H LEU 75 H LEU 75 -2.908 -0.464 -6.995 597 HA LEU 75 HA LEU 75 -2.914 -3.360 -7.183 598 HB2 LEU 75 1HB LEU 75 -4.407 -3.668 -5.352 599 HB3 LEU 75 2HB LEU 75 -2.881 -2.927 -4.804 600 HG LEU 75 HG LEU 75 -5.485 -1.495 -5.184 601 HD11 LEU 75 1HD1 LEU 75 -5.751 -1.721 -2.736 602 HD12 LEU 75 2HD1 LEU 75 -4.307 -2.723 -2.678 603 HD13 LEU 75 3HD1 LEU 75 -5.746 -3.297 -3.526 604 HD21 LEU 75 3HD2 LEU 75 -3.017 -0.862 -3.593 605 HD22 LEU 75 1HD2 LEU 75 -4.475 0.122 -3.673 606 HD23 LEU 75 2HD2 LEU 75 -3.488 -0.107 -5.116 607 H ASP 76 H ASP 76 -5.175 -4.194 -6.962 608 HA ASP 76 HA ASP 76 -6.557 -3.311 -9.292 609 HB2 ASP 76 1HB ASP 76 -6.237 -5.692 -8.780 610 HB3 ASP 76 2HB ASP 76 -7.206 -5.508 -7.325 611 H ALA 77 H ALA 77 -8.826 -2.945 -9.387 612 HA ALA 77 HA ALA 77 -9.613 -0.839 -7.648 613 HB1 ALA 77 3HB ALA 77 -11.511 -0.630 -9.152 614 HB2 ALA 77 1HB ALA 77 -11.069 -2.148 -9.926 615 HB3 ALA 77 2HB ALA 77 -9.989 -0.757 -10.042 616 H ASP 78 H ASP 78 -10.133 -4.181 -7.494 617 HA ASP 78 HA ASP 78 -12.802 -4.248 -6.504 618 HB2 ASP 78 1HB ASP 78 -11.740 -6.215 -7.539 619 HB3 ASP 78 2HB ASP 78 -10.620 -6.307 -6.186 620 H ALA 79 H ALA 79 -9.860 -3.450 -5.084 621 HA ALA 79 HA ALA 79 -9.850 -4.311 -2.511 622 HB1 ALA 79 3HB ALA 79 -9.111 -1.527 -3.325 623 HB2 ALA 79 1HB ALA 79 -8.103 -2.953 -3.579 624 HB3 ALA 79 2HB ALA 79 -8.499 -2.428 -1.941 625 H ARG 80 H ARG 80 -12.121 -1.969 -3.722 626 HA ARG 80 HA ARG 80 -12.906 -0.792 -1.272 627 HB2 ARG 80 1HB ARG 80 -14.561 -1.289 -3.757 628 HB3 ARG 80 2HB ARG 80 -15.180 -0.455 -2.351 629 HG2 ARG 80 1HG ARG 80 -14.621 1.229 -3.882 630 HG3 ARG 80 2HG ARG 80 -13.312 1.231 -2.713 631 HD2 ARG 80 1HD ARG 80 -11.893 -0.008 -4.290 632 HD3 ARG 80 2HD ARG 80 -13.236 -0.122 -5.408 633 HE ARG 80 HE ARG 80 -12.485 2.561 -4.641 634 HH11 ARG 80 1HH1 ARG 80 -12.149 -0.003 -7.027 635 HH12 ARG 80 2HH1 ARG 80 -11.697 1.048 -8.300 636 HH21 ARG 80 1HH2 ARG 80 -11.872 3.998 -6.394 637 HH22 ARG 80 2HH2 ARG 80 -11.535 3.362 -7.932 638 H ARG 81 H ARG 81 -13.591 -3.899 -2.695 639 HA ARG 81 HA ARG 81 -15.847 -4.625 -1.195 640 HB2 ARG 81 1HB ARG 81 -14.066 -5.953 -3.034 641 HB3 ARG 81 2HB ARG 81 -14.467 -7.001 -1.684 642 HG2 ARG 81 1HG ARG 81 -16.039 -7.396 -3.424 643 HG3 ARG 81 2HG ARG 81 -16.876 -6.542 -2.127 644 HD2 ARG 81 1HD ARG 81 -17.572 -5.550 -4.170 645 HD3 ARG 81 2HD ARG 81 -16.438 -4.436 -3.403 646 HE ARG 81 HE ARG 81 -15.148 -6.219 -5.220 647 HH11 ARG 81 1HH1 ARG 81 -16.797 -3.115 -4.996 648 HH12 ARG 81 2HH1 ARG 81 -16.255 -2.563 -6.513 649 HH21 ARG 81 1HH2 ARG 81 -14.469 -5.560 -7.188 650 HH22 ARG 81 2HH2 ARG 81 -14.892 -4.045 -7.890 651 H ALA 82 H ALA 82 -12.531 -4.457 -0.277 652 HA ALA 82 HA ALA 82 -12.469 -6.428 1.714 653 HB1 ALA 82 3HB ALA 82 -10.610 -5.170 2.694 654 HB2 ALA 82 1HB ALA 82 -11.033 -3.769 1.714 655 HB3 ALA 82 2HB ALA 82 -10.457 -5.245 0.938 656 H VAL 83 H VAL 83 -13.745 -3.207 1.723 657 HA VAL 83 HA VAL 83 -14.573 -3.490 4.533 658 HB VAL 83 HB VAL 83 -14.613 -1.006 2.783 659 HG11 VAL 83 1HG1 VAL 83 -16.268 -0.883 4.556 660 HG12 VAL 83 2HG1 VAL 83 -14.943 0.238 4.873 661 HG13 VAL 83 3HG1 VAL 83 -15.039 -1.286 5.755 662 HG21 VAL 83 3HG2 VAL 83 -12.321 -1.724 3.196 663 HG22 VAL 83 1HG2 VAL 83 -12.643 -1.800 4.928 664 HG23 VAL 83 2HG2 VAL 83 -12.673 -0.247 4.091 665 H ALA 84 H ALA 84 -15.753 -3.201 1.260 666 HA ALA 84 HA ALA 84 -18.462 -2.615 2.050 667 HB1 ALA 84 3HB ALA 84 -17.419 -3.289 -0.686 668 HB2 ALA 84 1HB ALA 84 -17.518 -1.665 -0.001 669 HB3 ALA 84 2HB ALA 84 -18.989 -2.590 -0.297 670 H SER 85 H SER 85 -16.705 -5.560 1.598 671 HA SER 85 HA SER 85 -18.849 -7.191 0.758 672 HB2 SER 85 1HB SER 85 -16.393 -7.862 0.755 673 HB3 SER 85 2HB SER 85 -16.511 -8.046 2.503 674 HG SER 85 HG SER 85 -17.350 -9.923 2.206 675 H HIS 86 H HIS 86 -17.780 -6.063 3.899 676 HA HIS 86 HA HIS 86 -20.205 -7.229 4.958 677 HB2 HIS 86 1HB HIS 86 -19.180 -7.288 7.216 678 HB3 HIS 86 2HB HIS 86 -18.275 -8.265 6.076 679 HD1 HIS 86 HD1 HIS 86 -17.906 -5.676 8.566 680 HD2 HIS 86 HD2 HIS 86 -15.806 -6.919 5.214 681 HE1 HIS 86 HE1 HIS 86 -15.570 -4.740 8.818 682 H ASP 87 H ASP 87 -20.928 -5.305 3.803 683 HA ASP 87 HA ASP 87 -20.592 -2.791 5.141 684 HB2 ASP 87 1HB ASP 87 -21.094 -2.930 2.697 685 HB3 ASP 87 2HB ASP 87 -22.668 -3.613 3.081 686 H GLU 88 H GLU 88 -21.328 -2.637 7.074 687 HA GLU 88 HA GLU 88 -23.888 -3.863 7.820 688 HB2 GLU 88 1HB GLU 88 -22.745 -4.481 9.952 689 HB3 GLU 88 2HB GLU 88 -22.103 -5.319 8.541 690 HG2 GLU 88 1HG GLU 88 -20.267 -3.674 8.448 691 HG3 GLU 88 2HG GLU 88 -20.880 -2.937 9.921 692 H LEU 89 H LEU 89 -24.246 -3.009 10.258 693 HA LEU 89 HA LEU 89 -23.746 -0.128 10.239 694 HB2 LEU 89 1HB LEU 89 -26.049 -1.669 11.445 695 HB3 LEU 89 2HB LEU 89 -25.793 0.054 11.624 696 HG LEU 89 HG LEU 89 -26.385 -1.371 9.034 697 HD11 LEU 89 1HD1 LEU 89 -28.519 -0.222 9.157 698 HD12 LEU 89 2HD1 LEU 89 -28.083 0.438 10.736 699 HD13 LEU 89 3HD1 LEU 89 -28.295 -1.300 10.534 700 HD21 LEU 89 3HD2 LEU 89 -24.975 0.585 8.672 701 HD22 LEU 89 1HD2 LEU 89 -26.074 1.571 9.642 702 HD23 LEU 89 2HD2 LEU 89 -26.616 0.885 8.112 Start of MODEL 15 1 H1 MET 1 1H MET 1 -15.220 -21.241 2.731 2 H2 MET 1 2H MET 1 -16.594 -21.044 3.673 3 H3 MET 1 3H MET 1 -15.374 -22.066 4.218 4 HA MET 1 HA MET 1 -15.388 -19.969 5.390 5 HB2 MET 1 1HB MET 1 -13.076 -20.342 3.491 6 HB3 MET 1 2HB MET 1 -13.073 -19.126 4.752 7 HG2 MET 1 1HG MET 1 -13.355 -22.080 5.200 8 HG3 MET 1 2HG MET 1 -11.854 -21.165 5.359 9 HE1 MET 1 3HE MET 1 -12.598 -18.866 8.440 10 HE2 MET 1 1HE MET 1 -12.765 -18.446 6.735 11 HE3 MET 1 2HE MET 1 -11.383 -19.395 7.277 12 H GLU 2 H GLU 2 -15.406 -17.751 5.375 13 HA GLU 2 HA GLU 2 -16.472 -16.553 3.006 14 HB2 GLU 2 1HB GLU 2 -17.200 -16.011 5.353 15 HB3 GLU 2 2HB GLU 2 -15.617 -15.315 5.635 16 HG2 GLU 2 1HG GLU 2 -16.037 -13.599 4.002 17 HG3 GLU 2 2HG GLU 2 -17.582 -14.342 3.584 18 HA PRO 3 HA PRO 3 -12.389 -16.030 1.391 19 HB2 PRO 3 1HB PRO 3 -12.954 -14.157 -0.525 20 HB3 PRO 3 2HB PRO 3 -13.273 -15.888 -0.695 21 HG2 PRO 3 1HG PRO 3 -15.145 -13.686 0.094 22 HG3 PRO 3 2HG PRO 3 -15.427 -15.045 -1.008 23 HD2 PRO 3 1HD PRO 3 -16.347 -15.053 1.498 24 HD3 PRO 3 2HD PRO 3 -15.756 -16.541 0.733 25 HA PRO 4 HA PRO 4 -11.099 -12.152 3.338 26 HB2 PRO 4 1HB PRO 4 -8.662 -13.254 4.160 27 HB3 PRO 4 2HB PRO 4 -10.122 -13.168 5.142 28 HG2 PRO 4 1HG PRO 4 -8.870 -15.512 4.116 29 HG3 PRO 4 2HG PRO 4 -10.401 -15.409 4.991 30 HD2 PRO 4 1HD PRO 4 -9.905 -15.649 2.078 31 HD3 PRO 4 2HD PRO 4 -11.312 -16.137 3.049 32 HA PRO 5 HA PRO 5 -8.798 -11.611 -0.555 33 HB2 PRO 5 1HB PRO 5 -9.359 -8.767 -0.131 34 HB3 PRO 5 2HB PRO 5 -9.827 -9.810 -1.475 35 HG2 PRO 5 1HG PRO 5 -11.635 -8.916 0.311 36 HG3 PRO 5 2HG PRO 5 -11.749 -10.519 -0.436 37 HD2 PRO 5 1HD PRO 5 -10.730 -9.769 2.278 38 HD3 PRO 5 2HD PRO 5 -11.809 -11.101 1.792 39 H LYS 6 H LYS 6 -6.682 -11.563 -0.561 40 HA LYS 6 HA LYS 6 -5.196 -9.926 1.333 41 HB2 LYS 6 1HB LYS 6 -4.148 -11.696 -0.892 42 HB3 LYS 6 2HB LYS 6 -3.216 -10.999 0.419 43 HG2 LYS 6 1HG LYS 6 -4.420 -12.414 2.013 44 HG3 LYS 6 2HG LYS 6 -5.322 -13.134 0.679 45 HD2 LYS 6 1HD LYS 6 -3.098 -13.767 -0.336 46 HD3 LYS 6 2HD LYS 6 -2.355 -13.264 1.181 47 HE2 LYS 6 1HE LYS 6 -2.693 -15.656 1.185 48 HE3 LYS 6 2HE LYS 6 -3.763 -14.907 2.373 49 HZ1 LYS 6 3HZ LYS 6 -5.579 -15.072 0.796 50 HZ2 LYS 6 1HZ LYS 6 -4.912 -16.595 1.019 51 HZ3 LYS 6 2HZ LYS 6 -4.585 -15.711 -0.368 52 H LEU 7 H LEU 7 -4.038 -8.142 0.638 53 HA LEU 7 HA LEU 7 -4.861 -7.170 -1.980 54 HB2 LEU 7 1HB LEU 7 -3.634 -5.709 0.347 55 HB3 LEU 7 2HB LEU 7 -4.215 -4.972 -1.128 56 HG LEU 7 HG LEU 7 -5.893 -6.328 0.982 57 HD11 LEU 7 1HD1 LEU 7 -5.639 -3.441 0.184 58 HD12 LEU 7 2HD1 LEU 7 -5.057 -4.179 1.676 59 HD13 LEU 7 3HD1 LEU 7 -6.789 -4.089 1.354 60 HD21 LEU 7 3HD2 LEU 7 -7.828 -5.538 -0.312 61 HD22 LEU 7 1HD2 LEU 7 -6.863 -6.695 -1.227 62 HD23 LEU 7 2HD2 LEU 7 -6.742 -4.973 -1.582 63 H VAL 8 H VAL 8 -3.441 -7.376 -3.532 64 HA VAL 8 HA VAL 8 -0.672 -7.860 -2.850 65 HB VAL 8 HB VAL 8 -2.004 -7.841 -5.576 66 HG11 VAL 8 1HG1 VAL 8 -0.010 -9.037 -6.331 67 HG12 VAL 8 2HG1 VAL 8 0.692 -8.883 -4.722 68 HG13 VAL 8 3HG1 VAL 8 0.397 -7.442 -5.696 69 HG21 VAL 8 3HG2 VAL 8 -1.307 -10.175 -3.790 70 HG22 VAL 8 1HG2 VAL 8 -1.926 -10.295 -5.437 71 HG23 VAL 8 2HG2 VAL 8 -2.933 -9.607 -4.164 72 H LEU 9 H LEU 9 0.534 -6.208 -2.562 73 HA LEU 9 HA LEU 9 -0.039 -3.662 -3.849 74 HB2 LEU 9 1HB LEU 9 0.402 -3.796 -1.399 75 HB3 LEU 9 2HB LEU 9 2.002 -4.413 -1.747 76 HG LEU 9 HG LEU 9 2.553 -2.250 -2.853 77 HD11 LEU 9 1HD1 LEU 9 1.087 -0.331 -2.484 78 HD12 LEU 9 2HD1 LEU 9 -0.131 -1.396 -1.782 79 HD13 LEU 9 3HD1 LEU 9 0.308 -1.559 -3.482 80 HD21 LEU 9 3HD2 LEU 9 2.730 -0.960 -0.776 81 HD22 LEU 9 1HD2 LEU 9 3.165 -2.652 -0.526 82 HD23 LEU 9 2HD2 LEU 9 1.590 -2.056 -0.000 83 H ASP 10 H ASP 10 0.997 -3.169 -5.643 84 HA ASP 10 HA ASP 10 3.167 -4.814 -6.623 85 HB2 ASP 10 1HB ASP 10 1.321 -3.851 -8.083 86 HB3 ASP 10 2HB ASP 10 2.063 -2.274 -7.836 87 H LEU 11 H LEU 11 5.141 -4.452 -5.854 88 HA LEU 11 HA LEU 11 5.736 -1.937 -4.621 89 HB2 LEU 11 1HB LEU 11 7.493 -4.353 -4.956 90 HB3 LEU 11 2HB LEU 11 7.859 -2.955 -3.971 91 HG LEU 11 HG LEU 11 5.672 -4.979 -3.490 92 HD11 LEU 11 1HD1 LEU 11 8.210 -4.347 -2.017 93 HD12 LEU 11 2HD1 LEU 11 7.856 -5.810 -2.935 94 HD13 LEU 11 3HD1 LEU 11 6.968 -5.457 -1.453 95 HD21 LEU 11 3HD2 LEU 11 6.388 -2.521 -1.886 96 HD22 LEU 11 1HD2 LEU 11 5.243 -3.771 -1.404 97 HD23 LEU 11 2HD2 LEU 11 4.902 -2.764 -2.808 98 H GLU 12 H GLU 12 6.170 -3.283 -7.700 99 HA GLU 12 HA GLU 12 8.533 -1.839 -8.436 100 HB2 GLU 12 1HB GLU 12 6.326 -3.056 -10.082 101 HB3 GLU 12 2HB GLU 12 7.820 -2.418 -10.763 102 HG2 GLU 12 1HG GLU 12 7.661 -4.675 -8.783 103 HG3 GLU 12 2HG GLU 12 7.769 -4.890 -10.528 104 H ARG 13 H ARG 13 5.071 -1.427 -8.850 105 HA ARG 13 HA ARG 13 5.145 1.153 -10.027 106 HB2 ARG 13 1HB ARG 13 3.057 -0.158 -8.304 107 HB3 ARG 13 2HB ARG 13 2.828 1.395 -9.102 108 HG2 ARG 13 1HG ARG 13 3.301 -1.252 -10.389 109 HG3 ARG 13 2HG ARG 13 1.749 -0.387 -10.198 110 HD2 ARG 13 1HD ARG 13 4.151 0.628 -11.746 111 HD3 ARG 13 2HD ARG 13 2.724 -0.089 -12.487 112 HE ARG 13 HE ARG 13 1.467 1.778 -11.401 113 HH11 ARG 13 1HH1 ARG 13 4.854 2.204 -12.388 114 HH12 ARG 13 2HH1 ARG 13 4.723 3.891 -12.525 115 HH21 ARG 13 1HH2 ARG 13 1.321 4.067 -11.580 116 HH22 ARG 13 2HH2 ARG 13 2.693 4.985 -12.068 117 H LEU 14 H LEU 14 5.080 0.009 -6.730 118 HA LEU 14 HA LEU 14 4.736 2.485 -5.455 119 HB2 LEU 14 1HB LEU 14 4.479 0.203 -4.441 120 HB3 LEU 14 2HB LEU 14 6.226 0.089 -4.405 121 HG LEU 14 HG LEU 14 6.273 2.071 -2.909 122 HD11 LEU 14 1HD1 LEU 14 3.292 1.666 -2.877 123 HD12 LEU 14 2HD1 LEU 14 4.147 3.059 -3.543 124 HD13 LEU 14 3HD1 LEU 14 4.203 2.733 -1.811 125 HD21 LEU 14 3HD2 LEU 14 5.551 0.862 -0.928 126 HD22 LEU 14 1HD2 LEU 14 6.401 -0.208 -2.036 127 HD23 LEU 14 2HD2 LEU 14 4.642 -0.271 -1.933 128 H ALA 15 H ALA 15 7.561 0.815 -6.663 129 HA ALA 15 HA ALA 15 9.453 2.590 -5.508 130 HB1 ALA 15 3HB ALA 15 11.095 1.406 -6.848 131 HB2 ALA 15 1HB ALA 15 9.806 0.644 -7.781 132 HB3 ALA 15 2HB ALA 15 10.000 0.263 -6.072 133 H THR 16 H THR 16 7.522 2.673 -8.421 134 HA THR 16 HA THR 16 9.247 4.739 -9.459 135 HB THR 16 HB THR 16 7.277 4.747 -11.268 136 HG1 THR 16 HG1 THR 16 7.274 2.031 -10.471 137 HG21 THR 16 3HG2 THR 16 8.573 3.088 -12.545 138 HG22 THR 16 1HG2 THR 16 9.416 2.622 -11.070 139 HG23 THR 16 2HG2 THR 16 9.628 4.245 -11.729 140 H VAL 17 H VAL 17 6.282 4.459 -7.733 141 HA VAL 17 HA VAL 17 5.373 7.114 -8.131 142 HB VAL 17 HB VAL 17 4.889 5.230 -5.780 143 HG11 VAL 17 1HG1 VAL 17 2.982 6.665 -5.202 144 HG12 VAL 17 2HG1 VAL 17 3.418 7.778 -6.496 145 HG13 VAL 17 3HG1 VAL 17 4.496 7.569 -5.116 146 HG21 VAL 17 3HG2 VAL 17 3.151 5.909 -8.146 147 HG22 VAL 17 1HG2 VAL 17 2.723 4.836 -6.813 148 HG23 VAL 17 2HG2 VAL 17 4.036 4.398 -7.910 149 HA PRO 18 HA PRO 18 8.566 9.485 -6.149 150 HB2 PRO 18 1HB PRO 18 6.168 11.072 -5.337 151 HB3 PRO 18 2HB PRO 18 7.715 11.630 -5.990 152 HG2 PRO 18 1HG PRO 18 5.586 11.483 -7.563 153 HG3 PRO 18 2HG PRO 18 7.179 10.980 -8.156 154 HD2 PRO 18 1HD PRO 18 4.846 9.314 -7.366 155 HD3 PRO 18 2HD PRO 18 6.097 9.014 -8.588 156 H ALA 19 H ALA 19 9.483 9.503 -4.259 157 HA ALA 19 HA ALA 19 8.587 7.975 -2.106 158 HB1 ALA 19 3HB ALA 19 10.954 8.303 -2.647 159 HB2 ALA 19 1HB ALA 19 10.599 8.701 -0.967 160 HB3 ALA 19 2HB ALA 19 10.826 9.990 -2.149 161 H GLU 20 H GLU 20 8.010 11.224 -2.903 162 HA GLU 20 HA GLU 20 7.489 12.646 -0.578 163 HB2 GLU 20 1HB GLU 20 5.375 12.440 -2.689 164 HB3 GLU 20 2HB GLU 20 5.830 13.825 -1.731 165 HG2 GLU 20 1HG GLU 20 7.746 14.199 -3.086 166 HG3 GLU 20 2HG GLU 20 7.506 12.658 -3.929 167 H LYS 21 H LYS 21 5.565 10.242 -2.244 168 HA LYS 21 HA LYS 21 3.550 10.236 -0.111 169 HB2 LYS 21 1HB LYS 21 3.338 9.101 -2.899 170 HB3 LYS 21 2HB LYS 21 2.033 9.333 -1.750 171 HG2 LYS 21 1HG LYS 21 2.343 11.783 -1.934 172 HG3 LYS 21 2HG LYS 21 3.609 11.506 -3.129 173 HD2 LYS 21 1HD LYS 21 1.971 10.341 -4.557 174 HD3 LYS 21 2HD LYS 21 0.711 10.709 -3.381 175 HE2 LYS 21 1HE LYS 21 0.559 12.322 -5.136 176 HE3 LYS 21 2HE LYS 21 1.209 13.135 -3.717 177 HZ1 LYS 21 3HZ LYS 21 3.474 12.992 -4.770 178 HZ2 LYS 21 1HZ LYS 21 2.351 13.780 -5.726 179 HZ3 LYS 21 2HZ LYS 21 2.778 12.208 -6.079 180 H ALA 22 H ALA 22 5.443 8.093 -2.256 181 HA ALA 22 HA ALA 22 4.447 5.729 -0.922 182 HB1 ALA 22 3HB ALA 22 5.582 4.523 -2.680 183 HB2 ALA 22 1HB ALA 22 6.337 6.016 -3.236 184 HB3 ALA 22 2HB ALA 22 4.588 5.822 -3.344 185 H GLY 23 H GLY 23 7.035 7.759 -0.320 186 HA2 GLY 23 1HA GLY 23 9.274 6.134 -0.054 187 HA3 GLY 23 2HA GLY 23 8.964 7.582 0.884 188 HA PRO 24 HA PRO 24 8.379 5.271 4.644 189 HB2 PRO 24 1HB PRO 24 5.522 6.098 4.822 190 HB3 PRO 24 2HB PRO 24 6.816 6.292 6.012 191 HG2 PRO 24 1HG PRO 24 5.985 8.387 4.631 192 HG3 PRO 24 2HG PRO 24 7.719 8.138 4.908 193 HD2 PRO 24 1HD PRO 24 6.106 7.585 2.440 194 HD3 PRO 24 2HD PRO 24 7.712 8.328 2.588 195 H LEU 25 H LEU 25 5.926 4.850 2.204 196 HA LEU 25 HA LEU 25 4.815 2.484 3.336 197 HB2 LEU 25 1HB LEU 25 3.434 3.854 1.915 198 HB3 LEU 25 2HB LEU 25 4.557 3.700 0.590 199 HG LEU 25 HG LEU 25 3.910 1.404 0.208 200 HD11 LEU 25 1HD1 LEU 25 3.678 0.698 2.543 201 HD12 LEU 25 2HD1 LEU 25 2.270 0.255 1.579 202 HD13 LEU 25 3HD1 LEU 25 2.189 1.636 2.673 203 HD21 LEU 25 3HD2 LEU 25 1.465 3.070 0.761 204 HD22 LEU 25 1HD2 LEU 25 1.547 1.663 -0.297 205 HD23 LEU 25 2HD2 LEU 25 2.436 3.132 -0.707 206 H GLN 26 H GLN 26 7.234 3.136 0.844 207 HA GLN 26 HA GLN 26 7.737 0.477 0.100 208 HB2 GLN 26 1HB GLN 26 9.615 2.840 0.255 209 HB3 GLN 26 2HB GLN 26 10.044 1.294 -0.454 210 HG2 GLN 26 1HG GLN 26 8.325 1.581 -2.149 211 HG3 GLN 26 2HG GLN 26 7.863 3.121 -1.422 212 HE21 GLN 26 2HE2 GLN 26 8.358 4.181 -3.372 213 HE22 GLN 26 1HE2 GLN 26 9.997 4.493 -3.810 214 H ARG 27 H ARG 27 8.860 2.419 2.748 215 HA ARG 27 HA ARG 27 10.705 0.502 3.757 216 HB2 ARG 27 1HB ARG 27 9.609 3.064 4.815 217 HB3 ARG 27 2HB ARG 27 10.423 1.971 5.922 218 HG2 ARG 27 1HG ARG 27 11.927 3.722 5.032 219 HG3 ARG 27 2HG ARG 27 12.462 2.104 4.589 220 HD2 ARG 27 1HD ARG 27 11.496 2.390 2.366 221 HD3 ARG 27 2HD ARG 27 10.918 3.993 2.812 222 HE ARG 27 HE ARG 27 13.556 4.117 3.292 223 HH11 ARG 27 1HH1 ARG 27 11.801 2.992 0.421 224 HH12 ARG 27 2HH1 ARG 27 12.868 3.690 -0.694 225 HH21 ARG 27 1HH2 ARG 27 15.053 5.048 1.760 226 HH22 ARG 27 2HH2 ARG 27 14.767 4.875 0.081 227 H TYR 28 H TYR 28 7.368 1.263 4.524 228 HA TYR 28 HA TYR 28 6.997 -0.513 6.659 229 HB2 TYR 28 1HB TYR 28 5.264 1.118 5.946 230 HB3 TYR 28 2HB TYR 28 5.023 0.211 4.461 231 HD1 TYR 28 HD2 TYR 28 4.570 0.116 8.122 232 HD2 TYR 28 HD1 TYR 28 3.557 -1.705 4.421 233 HE1 TYR 28 HE2 TYR 28 2.818 -1.195 9.259 234 HE2 TYR 28 HE1 TYR 28 1.796 -3.018 5.542 235 HH TYR 28 HH TYR 28 1.064 -3.776 7.687 236 H ALA 29 H ALA 29 6.683 -1.005 3.191 237 HA ALA 29 HA ALA 29 6.062 -3.735 3.216 238 HB1 ALA 29 3HB ALA 29 6.814 -3.717 0.866 239 HB2 ALA 29 1HB ALA 29 7.542 -2.134 1.121 240 HB3 ALA 29 2HB ALA 29 5.789 -2.329 1.226 241 H ALA 30 H ALA 30 9.176 -2.068 2.954 242 HA ALA 30 HA ALA 30 10.882 -4.267 2.741 243 HB1 ALA 30 3HB ALA 30 11.441 -1.658 4.157 244 HB2 ALA 30 1HB ALA 30 11.599 -1.923 2.422 245 HB3 ALA 30 2HB ALA 30 12.647 -2.787 3.543 246 H THR 31 H THR 31 9.484 -2.736 5.547 247 HA THR 31 HA THR 31 10.871 -4.136 7.528 248 HB THR 31 HB THR 31 8.071 -2.967 7.616 249 HG1 THR 31 HG1 THR 31 9.613 -1.385 7.079 250 HG21 THR 31 3HG2 THR 31 8.428 -2.821 10.028 251 HG22 THR 31 1HG2 THR 31 10.013 -3.579 9.850 252 HG23 THR 31 2HG2 THR 31 8.553 -4.495 9.488 253 H ILE 32 H ILE 32 7.784 -4.790 5.892 254 HA ILE 32 HA ILE 32 7.154 -7.173 7.257 255 HB ILE 32 HB ILE 32 6.396 -6.371 4.427 256 HG12 ILE 32 1HG1 ILE 32 4.943 -5.916 7.048 257 HG13 ILE 32 2HG1 ILE 32 5.704 -4.688 6.057 258 HG21 ILE 32 1HG2 ILE 32 4.488 -7.917 4.711 259 HG22 ILE 32 2HG2 ILE 32 5.126 -8.396 6.285 260 HG23 ILE 32 3HG2 ILE 32 6.036 -8.759 4.822 261 HD11 ILE 32 3HD1 ILE 32 4.079 -5.051 4.309 262 HD12 ILE 32 1HD1 ILE 32 3.275 -4.709 5.837 263 HD13 ILE 32 2HD1 ILE 32 3.344 -6.365 5.231 264 H GLN 33 H GLN 33 8.762 -6.576 4.166 265 HA GLN 33 HA GLN 33 9.282 -9.130 3.254 266 HB2 GLN 33 1HB GLN 33 11.076 -6.710 3.058 267 HB3 GLN 33 2HB GLN 33 11.243 -8.165 2.101 268 HG2 GLN 33 1HG GLN 33 9.131 -7.745 1.017 269 HG3 GLN 33 2HG GLN 33 8.838 -6.355 2.063 270 HE21 GLN 33 2HE2 GLN 33 11.985 -7.097 0.755 271 HE22 GLN 33 1HE2 GLN 33 12.052 -5.751 -0.326 272 H SER 34 H SER 34 11.415 -7.134 5.281 273 HA SER 34 HA SER 34 13.426 -9.059 5.521 274 HB2 SER 34 1HB SER 34 14.191 -7.574 7.458 275 HB3 SER 34 2HB SER 34 14.068 -6.819 5.867 276 HG SER 34 HG SER 34 12.351 -5.728 6.476 277 H GLN 35 H GLN 35 10.631 -8.400 7.569 278 HA GLN 35 HA GLN 35 11.377 -10.113 9.698 279 HB2 GLN 35 1HB GLN 35 8.625 -9.283 8.780 280 HB3 GLN 35 2HB GLN 35 8.963 -10.142 10.272 281 HG2 GLN 35 1HG GLN 35 10.254 -8.270 11.094 282 HG3 GLN 35 2HG GLN 35 10.030 -7.440 9.555 283 HE21 GLN 35 2HE2 GLN 35 7.457 -9.273 11.074 284 HE22 GLN 35 1HE2 GLN 35 6.518 -7.884 11.483 285 H ARG 36 H ARG 36 9.547 -10.637 6.759 286 HA ARG 36 HA ARG 36 8.851 -13.366 7.412 287 HB2 ARG 36 1HB ARG 36 8.771 -12.028 4.699 288 HB3 ARG 36 2HB ARG 36 7.919 -13.482 5.180 289 HG2 ARG 36 1HG ARG 36 7.413 -10.691 6.200 290 HG3 ARG 36 2HG ARG 36 6.404 -11.593 5.072 291 HD2 ARG 36 1HD ARG 36 5.892 -13.217 6.788 292 HD3 ARG 36 2HD ARG 36 7.008 -12.419 7.895 293 HE ARG 36 HE ARG 36 5.338 -10.438 7.295 294 HH11 ARG 36 1HH1 ARG 36 4.588 -13.785 8.230 295 HH12 ARG 36 2HH1 ARG 36 3.248 -13.360 9.187 296 HH21 ARG 36 1HH2 ARG 36 3.455 -9.874 8.624 297 HH22 ARG 36 2HH2 ARG 36 2.588 -11.120 9.396 298 H GLY 37 H GLY 37 11.532 -11.782 6.031 299 HA2 GLY 37 1HA GLY 37 13.572 -12.618 5.347 300 HA3 GLY 37 2HA GLY 37 12.962 -14.251 5.627 301 H ASP 38 H ASP 38 11.167 -12.014 3.763 302 HA ASP 38 HA ASP 38 11.698 -13.647 1.389 303 HB2 ASP 38 1HB ASP 38 9.150 -12.282 2.244 304 HB3 ASP 38 2HB ASP 38 9.418 -12.860 0.611 305 H TYR 39 H TYR 39 12.980 -12.542 0.084 306 HA TYR 39 HA TYR 39 12.312 -9.737 -0.278 307 HB2 TYR 39 1HB TYR 39 14.760 -10.330 0.114 308 HB3 TYR 39 2HB TYR 39 14.730 -11.165 -1.438 309 HD1 TYR 39 HD1 TYR 39 14.471 -7.862 0.198 310 HD2 TYR 39 HD2 TYR 39 14.843 -9.923 -3.508 311 HE1 TYR 39 HE1 TYR 39 14.972 -5.736 -0.931 312 HE2 TYR 39 HE2 TYR 39 15.340 -7.801 -4.641 313 HH TYR 39 HH TYR 39 14.965 -5.453 -4.321 314 H ASN 40 H ASN 40 10.401 -10.509 -1.142 315 HA ASN 40 HA ASN 40 10.430 -11.857 -3.664 316 HB2 ASN 40 1HB ASN 40 7.924 -11.530 -3.562 317 HB3 ASN 40 2HB ASN 40 8.592 -12.395 -2.192 318 HD21 ASN 40 2HD2 ASN 40 6.069 -11.145 -2.207 319 HD22 ASN 40 1HD2 ASN 40 6.127 -9.840 -1.094 320 H GLY 41 H GLY 41 9.842 -8.630 -2.465 321 HA2 GLY 41 1HA GLY 41 10.517 -6.633 -3.327 322 HA3 GLY 41 2HA GLY 41 11.360 -7.512 -4.572 323 H LYS 42 H LYS 42 9.165 -8.603 -5.882 324 HA LYS 42 HA LYS 42 8.488 -6.351 -7.520 325 HB2 LYS 42 1HB LYS 42 7.482 -9.188 -7.659 326 HB3 LYS 42 2HB LYS 42 7.298 -7.973 -8.914 327 HG2 LYS 42 1HG LYS 42 9.920 -9.066 -7.913 328 HG3 LYS 42 2HG LYS 42 9.110 -9.529 -9.413 329 HD2 LYS 42 1HD LYS 42 9.273 -7.204 -10.192 330 HD3 LYS 42 2HD LYS 42 10.103 -6.772 -8.705 331 HE2 LYS 42 1HE LYS 42 11.941 -8.241 -9.257 332 HE3 LYS 42 2HE LYS 42 11.101 -8.781 -10.704 333 HZ1 LYS 42 3HZ LYS 42 12.796 -7.068 -11.139 334 HZ2 LYS 42 1HZ LYS 42 11.922 -5.959 -10.227 335 HZ3 LYS 42 2HZ LYS 42 11.267 -6.594 -11.637 336 H VAL 43 H VAL 43 6.736 -8.269 -5.220 337 HA VAL 43 HA VAL 43 4.557 -6.362 -5.169 338 HB VAL 43 HB VAL 43 2.873 -8.234 -5.128 339 HG11 VAL 43 1HG1 VAL 43 4.409 -8.029 -7.712 340 HG12 VAL 43 2HG1 VAL 43 3.124 -6.944 -7.181 341 HG13 VAL 43 3HG1 VAL 43 2.761 -8.631 -7.540 342 HG21 VAL 43 3HG2 VAL 43 4.351 -10.076 -4.577 343 HG22 VAL 43 1HG2 VAL 43 5.182 -9.897 -6.122 344 HG23 VAL 43 2HG2 VAL 43 3.503 -10.421 -6.088 345 H LEU 44 H LEU 44 3.127 -7.041 -3.254 346 HA LEU 44 HA LEU 44 4.413 -8.776 -1.335 347 HB2 LEU 44 1HB LEU 44 5.335 -6.489 -0.932 348 HB3 LEU 44 2HB LEU 44 3.701 -5.914 -0.667 349 HG LEU 44 HG LEU 44 3.536 -7.499 1.264 350 HD11 LEU 44 1HD1 LEU 44 5.594 -8.410 2.204 351 HD12 LEU 44 2HD1 LEU 44 6.495 -7.817 0.810 352 HD13 LEU 44 3HD1 LEU 44 5.277 -9.070 0.601 353 HD21 LEU 44 3HD2 LEU 44 4.008 -5.148 1.609 354 HD22 LEU 44 1HD2 LEU 44 5.731 -5.450 1.369 355 HD23 LEU 44 2HD2 LEU 44 4.903 -6.149 2.758 356 H SER 45 H SER 45 2.891 -9.716 -0.009 357 HA SER 45 HA SER 45 0.128 -9.142 -0.689 358 HB2 SER 45 1HB SER 45 0.928 -11.479 -0.855 359 HB3 SER 45 2HB SER 45 1.402 -11.436 0.838 360 HG SER 45 HG SER 45 -0.557 -12.438 0.585 361 H ILE 46 H ILE 46 -0.786 -7.645 0.593 362 HA ILE 46 HA ILE 46 -0.129 -7.765 3.443 363 HB ILE 46 HB ILE 46 -0.748 -5.389 3.643 364 HG12 ILE 46 1HG1 ILE 46 -0.986 -5.413 0.614 365 HG13 ILE 46 2HG1 ILE 46 -2.314 -5.252 1.761 366 HG21 ILE 46 1HG2 ILE 46 1.584 -5.915 3.340 367 HG22 ILE 46 2HG2 ILE 46 1.203 -4.398 2.525 368 HG23 ILE 46 3HG2 ILE 46 1.393 -5.877 1.587 369 HD11 ILE 46 3HD1 ILE 46 -1.412 -3.122 2.521 370 HD12 ILE 46 1HD1 ILE 46 -1.715 -3.108 0.782 371 HD13 ILE 46 2HD1 ILE 46 -0.067 -3.283 1.393 372 H ARG 47 H ARG 47 -1.967 -7.103 4.842 373 HA ARG 47 HA ARG 47 -4.353 -8.465 3.876 374 HB2 ARG 47 1HB ARG 47 -3.694 -7.356 6.586 375 HB3 ARG 47 2HB ARG 47 -4.994 -8.467 6.174 376 HG2 ARG 47 1HG ARG 47 -3.391 -10.179 5.593 377 HG3 ARG 47 2HG ARG 47 -2.062 -9.071 5.948 378 HD2 ARG 47 1HD ARG 47 -3.040 -8.819 8.222 379 HD3 ARG 47 2HD ARG 47 -4.121 -10.147 7.783 380 HE ARG 47 HE ARG 47 -2.107 -11.518 7.464 381 HH11 ARG 47 1HH1 ARG 47 -1.810 -8.621 9.489 382 HH12 ARG 47 2HH1 ARG 47 -0.543 -9.240 10.432 383 HH21 ARG 47 1HH2 ARG 47 -0.373 -12.355 8.791 384 HH22 ARG 47 2HH2 ARG 47 0.248 -11.429 10.083 385 H GLN 48 H GLN 48 -6.455 -7.412 4.592 386 HA GLN 48 HA GLN 48 -6.686 -4.798 3.487 387 HB2 GLN 48 1HB GLN 48 -8.641 -6.301 5.242 388 HB3 GLN 48 2HB GLN 48 -9.013 -4.913 4.238 389 HG2 GLN 48 1HG GLN 48 -8.587 -6.190 2.242 390 HG3 GLN 48 2HG GLN 48 -8.082 -7.579 3.208 391 HE21 GLN 48 2HE2 GLN 48 -9.610 -8.717 4.350 392 HE22 GLN 48 1HE2 GLN 48 -11.305 -8.589 4.027 393 H ASP 49 H ASP 49 -6.303 -6.150 6.615 394 HA ASP 49 HA ASP 49 -6.846 -3.769 8.058 395 HB2 ASP 49 1HB ASP 49 -7.063 -5.981 9.096 396 HB3 ASP 49 2HB ASP 49 -5.323 -6.205 8.968 397 H ASP 50 H ASP 50 -3.954 -5.072 6.561 398 HA ASP 50 HA ASP 50 -2.096 -3.323 7.812 399 HB2 ASP 50 1HB ASP 50 -2.040 -4.619 5.075 400 HB3 ASP 50 2HB ASP 50 -0.748 -3.565 5.627 401 H LEU 51 H LEU 51 -4.049 -3.107 4.938 402 HA LEU 51 HA LEU 51 -3.373 -0.610 3.921 403 HB2 LEU 51 1HB LEU 51 -4.931 -2.396 2.986 404 HB3 LEU 51 2HB LEU 51 -6.154 -1.807 4.071 405 HG LEU 51 HG LEU 51 -6.550 -1.092 1.786 406 HD11 LEU 51 1HD1 LEU 51 -6.826 1.312 2.067 407 HD12 LEU 51 2HD1 LEU 51 -5.840 1.237 3.530 408 HD13 LEU 51 3HD1 LEU 51 -7.382 0.388 3.463 409 HD21 LEU 51 3HD2 LEU 51 -4.303 -1.080 0.941 410 HD22 LEU 51 1HD2 LEU 51 -3.891 0.300 1.959 411 HD23 LEU 51 2HD2 LEU 51 -5.062 0.486 0.651 412 H ARG 52 H ARG 52 -5.683 -1.457 6.430 413 HA ARG 52 HA ARG 52 -6.680 1.146 6.978 414 HB2 ARG 52 1HB ARG 52 -6.535 -1.228 8.826 415 HB3 ARG 52 2HB ARG 52 -7.553 0.184 9.044 416 HG2 ARG 52 1HG ARG 52 -8.797 -0.397 7.029 417 HG3 ARG 52 2HG ARG 52 -7.758 -1.809 6.797 418 HD2 ARG 52 1HD ARG 52 -9.823 -2.472 7.858 419 HD3 ARG 52 2HD ARG 52 -8.485 -2.666 8.993 420 HE ARG 52 HE ARG 52 -10.390 -0.444 8.983 421 HH11 ARG 52 1HH1 ARG 52 -8.217 -2.659 10.818 422 HH12 ARG 52 2HH1 ARG 52 -8.716 -2.080 12.321 423 HH21 ARG 52 1HH2 ARG 52 -11.028 0.340 11.088 424 HH22 ARG 52 2HH2 ARG 52 -10.363 -0.351 12.485 425 H THR 53 H THR 53 -3.982 -0.694 8.229 426 HA THR 53 HA THR 53 -3.350 1.007 10.397 427 HB THR 53 HB THR 53 -1.556 -0.937 8.901 428 HG1 THR 53 HG1 THR 53 -3.183 -2.193 9.619 429 HG21 THR 53 3HG2 THR 53 -0.344 0.578 10.445 430 HG22 THR 53 1HG2 THR 53 -0.339 -1.082 11.042 431 HG23 THR 53 2HG2 THR 53 -1.431 0.107 11.749 432 H LEU 54 H LEU 54 -2.241 0.781 7.033 433 HA LEU 54 HA LEU 54 -0.220 2.669 6.966 434 HB2 LEU 54 1HB LEU 54 -2.199 1.672 4.992 435 HB3 LEU 54 2HB LEU 54 -1.311 3.119 4.582 436 HG LEU 54 HG LEU 54 0.778 1.932 4.631 437 HD11 LEU 54 1HD1 LEU 54 0.925 -0.447 5.071 438 HD12 LEU 54 2HD1 LEU 54 -0.786 -0.478 5.500 439 HD13 LEU 54 3HD1 LEU 54 0.357 0.428 6.492 440 HD21 LEU 54 3HD2 LEU 54 -0.467 1.808 2.582 441 HD22 LEU 54 1HD2 LEU 54 -1.343 0.387 3.170 442 HD23 LEU 54 2HD2 LEU 54 0.392 0.295 2.876 443 H ALA 55 H ALA 55 -3.674 3.144 6.690 444 HA ALA 55 HA ALA 55 -3.701 5.881 6.126 445 HB1 ALA 55 3HB ALA 55 -5.662 4.435 5.923 446 HB2 ALA 55 1HB ALA 55 -6.008 5.855 6.912 447 HB3 ALA 55 2HB ALA 55 -5.736 4.291 7.682 448 H VAL 56 H VAL 56 -3.430 4.177 9.175 449 HA VAL 56 HA VAL 56 -3.801 6.460 10.841 450 HB VAL 56 HB VAL 56 -2.389 3.848 11.478 451 HG11 VAL 56 1HG1 VAL 56 -2.872 4.377 13.825 452 HG12 VAL 56 2HG1 VAL 56 -3.557 5.924 13.330 453 HG13 VAL 56 3HG1 VAL 56 -1.841 5.598 13.079 454 HG21 VAL 56 3HG2 VAL 56 -4.510 3.144 12.485 455 HG22 VAL 56 1HG2 VAL 56 -4.673 3.445 10.757 456 HG23 VAL 56 2HG2 VAL 56 -5.268 4.633 11.917 457 H ILE 57 H ILE 57 -1.055 4.758 9.496 458 HA ILE 57 HA ILE 57 0.987 6.117 10.857 459 HB ILE 57 HB ILE 57 1.217 4.942 8.071 460 HG12 ILE 57 1HG1 ILE 57 1.577 3.585 10.764 461 HG13 ILE 57 2HG1 ILE 57 0.274 3.322 9.601 462 HG21 ILE 57 1HG2 ILE 57 3.118 6.339 8.716 463 HG22 ILE 57 2HG2 ILE 57 3.593 4.640 8.664 464 HG23 ILE 57 3HG2 ILE 57 3.298 5.423 10.215 465 HD11 ILE 57 3HD1 ILE 57 1.850 2.405 8.002 466 HD12 ILE 57 1HD1 ILE 57 1.932 1.531 9.532 467 HD13 ILE 57 2HD1 ILE 57 3.178 2.707 9.122 468 H TYR 58 H TYR 58 -0.475 6.764 7.678 469 HA TYR 58 HA TYR 58 1.282 9.079 7.364 470 HB2 TYR 58 1HB TYR 58 -0.845 8.222 5.413 471 HB3 TYR 58 2HB TYR 58 0.609 9.152 5.086 472 HD1 TYR 58 HD2 TYR 58 2.702 7.480 6.378 473 HD2 TYR 58 HD1 TYR 58 -0.702 6.354 4.112 474 HE1 TYR 58 HE2 TYR 58 3.784 5.343 5.807 475 HE2 TYR 58 HE1 TYR 58 0.379 4.225 3.540 476 HH TYR 58 HH TYR 58 2.521 3.288 3.421 477 H ASP 59 H ASP 59 -1.396 8.635 9.011 478 HA ASP 59 HA ASP 59 -3.143 9.788 9.736 479 HB2 ASP 59 1HB ASP 59 -1.410 12.152 8.971 480 HB3 ASP 59 2HB ASP 59 -2.955 12.293 9.806 481 H GLN 60 H GLN 60 -4.016 8.741 7.824 482 HA GLN 60 HA GLN 60 -5.436 10.676 6.127 483 HB2 GLN 60 1HB GLN 60 -4.140 8.076 5.264 484 HB3 GLN 60 2HB GLN 60 -5.261 8.992 4.280 485 HG2 GLN 60 1HG GLN 60 -2.616 10.052 5.258 486 HG3 GLN 60 2HG GLN 60 -2.858 9.284 3.690 487 HE21 GLN 60 2HE2 GLN 60 -3.529 12.092 5.629 488 HE22 GLN 60 1HE2 GLN 60 -4.028 13.097 4.322 489 H SER 61 H SER 61 -7.350 9.519 5.150 490 HA SER 61 HA SER 61 -8.613 7.801 7.118 491 HB2 SER 61 1HB SER 61 -9.724 8.903 4.524 492 HB3 SER 61 2HB SER 61 -10.639 8.278 5.900 493 HG SER 61 HG SER 61 -9.536 10.001 7.111 494 HA PRO 62 HA PRO 62 -7.646 3.975 4.966 495 HB2 PRO 62 1HB PRO 62 -10.540 3.355 5.407 496 HB3 PRO 62 2HB PRO 62 -9.123 2.357 5.754 497 HG2 PRO 62 1HG PRO 62 -10.350 3.587 7.738 498 HG3 PRO 62 2HG PRO 62 -8.579 3.565 7.674 499 HD2 PRO 62 1HD PRO 62 -10.462 5.798 7.024 500 HD3 PRO 62 2HD PRO 62 -8.875 5.846 7.820 501 H SER 63 H SER 63 -10.729 5.548 4.153 502 HA SER 63 HA SER 63 -11.226 4.444 1.709 503 HB2 SER 63 1HB SER 63 -11.735 7.299 2.490 504 HB3 SER 63 2HB SER 63 -12.681 6.271 1.404 505 HG SER 63 HG SER 63 -13.681 6.332 3.363 506 H VAL 64 H VAL 64 -9.538 7.584 2.343 507 HA VAL 64 HA VAL 64 -8.932 7.946 -0.393 508 HB VAL 64 HB VAL 64 -9.141 9.844 1.224 509 HG11 VAL 64 1HG1 VAL 64 -7.245 10.513 2.601 510 HG12 VAL 64 2HG1 VAL 64 -6.438 8.999 2.202 511 HG13 VAL 64 3HG1 VAL 64 -7.947 8.979 3.113 512 HG21 VAL 64 3HG2 VAL 64 -8.132 10.247 -0.941 513 HG22 VAL 64 1HG2 VAL 64 -6.553 9.767 -0.321 514 HG23 VAL 64 2HG2 VAL 64 -7.330 11.229 0.285 515 H LEU 65 H LEU 65 -7.328 6.365 2.190 516 HA LEU 65 HA LEU 65 -4.748 6.222 1.060 517 HB2 LEU 65 1HB LEU 65 -5.526 5.710 3.474 518 HB3 LEU 65 2HB LEU 65 -6.012 4.148 2.870 519 HG LEU 65 HG LEU 65 -3.861 4.113 4.096 520 HD11 LEU 65 1HD1 LEU 65 -2.557 2.827 2.512 521 HD12 LEU 65 2HD1 LEU 65 -3.584 3.405 1.196 522 HD13 LEU 65 3HD1 LEU 65 -4.263 2.390 2.465 523 HD21 LEU 65 3HD2 LEU 65 -3.029 6.299 3.517 524 HD22 LEU 65 1HD2 LEU 65 -2.855 5.816 1.826 525 HD23 LEU 65 2HD2 LEU 65 -1.866 5.049 3.060 526 H THR 66 H THR 66 -7.648 4.201 0.806 527 HA THR 66 HA THR 66 -6.510 2.189 -0.845 528 HB THR 66 HB THR 66 -9.436 3.039 -0.824 529 HG1 THR 66 HG1 THR 66 -8.491 2.542 1.357 530 HG21 THR 66 3HG2 THR 66 -8.795 1.430 -2.563 531 HG22 THR 66 1HG2 THR 66 -9.838 0.675 -1.356 532 HG23 THR 66 2HG2 THR 66 -8.102 0.372 -1.334 533 H GLU 67 H GLU 67 -8.260 5.201 -1.420 534 HA GLU 67 HA GLU 67 -8.635 5.111 -4.170 535 HB2 GLU 67 1HB GLU 67 -8.148 7.509 -2.404 536 HB3 GLU 67 2HB GLU 67 -8.708 7.598 -4.064 537 HG2 GLU 67 1HG GLU 67 -10.731 6.394 -3.452 538 HG3 GLU 67 2HG GLU 67 -10.168 6.280 -1.787 539 H GLN 68 H GLN 68 -5.969 6.595 -2.350 540 HA GLN 68 HA GLN 68 -4.473 7.506 -4.492 541 HB2 GLN 68 1HB GLN 68 -3.746 6.611 -1.742 542 HB3 GLN 68 2HB GLN 68 -2.532 7.249 -2.851 543 HG2 GLN 68 1HG GLN 68 -4.989 8.700 -1.876 544 HG3 GLN 68 2HG GLN 68 -3.364 8.916 -1.239 545 HE21 GLN 68 2HE2 GLN 68 -5.123 10.842 -2.430 546 HE22 GLN 68 1HE2 GLN 68 -4.281 11.547 -3.762 547 H LEU 69 H LEU 69 -4.168 4.430 -2.726 548 HA LEU 69 HA LEU 69 -1.992 3.533 -4.240 549 HB2 LEU 69 1HB LEU 69 -3.989 1.838 -2.761 550 HB3 LEU 69 2HB LEU 69 -2.417 1.312 -3.319 551 HG LEU 69 HG LEU 69 -3.061 3.213 -1.083 552 HD11 LEU 69 1HD1 LEU 69 -3.054 0.855 -0.555 553 HD12 LEU 69 2HD1 LEU 69 -1.695 1.712 0.199 554 HD13 LEU 69 3HD1 LEU 69 -1.423 0.726 -1.237 555 HD21 LEU 69 3HD2 LEU 69 -0.673 3.591 -0.803 556 HD22 LEU 69 1HD2 LEU 69 -1.253 4.235 -2.336 557 HD23 LEU 69 2HD2 LEU 69 -0.355 2.718 -2.300 558 H ILE 70 H ILE 70 -5.436 2.982 -4.719 559 HA ILE 70 HA ILE 70 -5.097 1.242 -6.919 560 HB ILE 70 HB ILE 70 -7.451 2.985 -6.131 561 HG12 ILE 70 1HG1 ILE 70 -7.007 0.006 -5.909 562 HG13 ILE 70 2HG1 ILE 70 -6.801 1.145 -4.590 563 HG21 ILE 70 1HG2 ILE 70 -7.560 2.560 -8.545 564 HG22 ILE 70 2HG2 ILE 70 -8.813 1.653 -7.695 565 HG23 ILE 70 3HG2 ILE 70 -7.358 0.832 -8.257 566 HD11 ILE 70 3HD1 ILE 70 -9.373 0.553 -6.054 567 HD12 ILE 70 1HD1 ILE 70 -9.189 1.702 -4.733 568 HD13 ILE 70 2HD1 ILE 70 -8.936 -0.021 -4.447 569 H SER 71 H SER 71 -5.352 4.735 -6.660 570 HA SER 71 HA SER 71 -5.544 5.213 -9.440 571 HB2 SER 71 1HB SER 71 -4.637 7.071 -7.235 572 HB3 SER 71 2HB SER 71 -5.111 7.561 -8.865 573 HG SER 71 HG SER 71 -6.689 6.445 -6.807 574 H TRP 72 H TRP 72 -2.764 4.913 -7.249 575 HA TRP 72 HA TRP 72 -0.854 5.805 -9.214 576 HB2 TRP 72 1HB TRP 72 -0.319 4.003 -6.849 577 HB3 TRP 72 2HB TRP 72 0.856 4.939 -7.750 578 HD1 TRP 72 HD1 TRP 72 -1.401 7.576 -7.447 579 HE1 TRP 72 HE1 TRP 72 -1.219 8.849 -5.208 580 HE3 TRP 72 HE3 TRP 72 1.206 4.120 -4.767 581 HZ2 TRP 72 HZ2 TRP 72 -0.073 8.435 -2.645 582 HZ3 TRP 72 HZ3 TRP 72 1.839 4.642 -2.444 583 HH2 TRP 72 HH2 TRP 72 1.208 6.760 -1.415 584 H GLY 73 H GLY 73 -2.562 2.941 -8.646 585 HA2 GLY 73 1HA GLY 73 -2.693 1.105 -10.106 586 HA3 GLY 73 2HA GLY 73 -1.187 1.624 -10.844 587 H VAL 74 H VAL 74 -0.913 1.697 -7.540 588 HA VAL 74 HA VAL 74 0.844 -0.591 -7.600 589 HB VAL 74 HB VAL 74 1.464 -0.014 -5.286 590 HG11 VAL 74 1HG1 VAL 74 2.273 2.281 -5.586 591 HG12 VAL 74 2HG1 VAL 74 1.310 2.412 -7.060 592 HG13 VAL 74 3HG1 VAL 74 2.629 1.243 -6.955 593 HG21 VAL 74 3HG2 VAL 74 -0.703 0.622 -4.498 594 HG22 VAL 74 1HG2 VAL 74 -0.644 2.054 -5.526 595 HG23 VAL 74 2HG2 VAL 74 0.493 1.901 -4.169 596 H LEU 75 H LEU 75 -2.394 0.064 -6.766 597 HA LEU 75 HA LEU 75 -2.650 -2.614 -5.643 598 HB2 LEU 75 1HB LEU 75 -2.829 -0.891 -3.881 599 HB3 LEU 75 2HB LEU 75 -4.103 -0.105 -4.782 600 HG LEU 75 HG LEU 75 -5.547 -2.074 -4.430 601 HD11 LEU 75 1HD1 LEU 75 -4.875 -3.793 -2.832 602 HD12 LEU 75 2HD1 LEU 75 -3.260 -3.088 -2.738 603 HD13 LEU 75 3HD1 LEU 75 -3.830 -3.795 -4.249 604 HD21 LEU 75 3HD2 LEU 75 -5.644 -0.197 -2.879 605 HD22 LEU 75 1HD2 LEU 75 -4.350 -0.912 -1.916 606 HD23 LEU 75 2HD2 LEU 75 -5.912 -1.720 -2.033 607 H ASP 76 H ASP 76 -4.539 -3.680 -6.320 608 HA ASP 76 HA ASP 76 -5.537 -2.834 -8.877 609 HB2 ASP 76 1HB ASP 76 -5.061 -5.244 -8.285 610 HB3 ASP 76 2HB ASP 76 -6.449 -5.197 -7.209 611 H ALA 77 H ALA 77 -7.718 -2.479 -9.381 612 HA ALA 77 HA ALA 77 -9.052 -0.746 -7.682 613 HB1 ALA 77 3HB ALA 77 -9.292 -0.689 -10.094 614 HB2 ALA 77 1HB ALA 77 -10.852 -0.799 -9.285 615 HB3 ALA 77 2HB ALA 77 -10.153 -2.228 -10.051 616 H ASP 78 H ASP 78 -9.394 -4.230 -8.041 617 HA ASP 78 HA ASP 78 -11.984 -4.491 -6.995 618 HB2 ASP 78 1HB ASP 78 -11.677 -6.799 -6.906 619 HB3 ASP 78 2HB ASP 78 -10.466 -6.327 -8.071 620 H ALA 79 H ALA 79 -9.131 -3.686 -5.374 621 HA ALA 79 HA ALA 79 -9.737 -4.514 -2.757 622 HB1 ALA 79 3HB ALA 79 -8.081 -2.900 -2.035 623 HB2 ALA 79 1HB ALA 79 -8.121 -2.128 -3.621 624 HB3 ALA 79 2HB ALA 79 -7.513 -3.774 -3.460 625 H ARG 80 H ARG 80 -10.867 -1.768 -4.634 626 HA ARG 80 HA ARG 80 -11.740 -0.070 -2.537 627 HB2 ARG 80 1HB ARG 80 -13.114 1.070 -4.215 628 HB3 ARG 80 2HB ARG 80 -11.561 0.664 -4.927 629 HG2 ARG 80 1HG ARG 80 -12.789 -1.430 -5.831 630 HG3 ARG 80 2HG ARG 80 -14.257 -0.534 -5.458 631 HD2 ARG 80 1HD ARG 80 -12.028 0.516 -7.176 632 HD3 ARG 80 2HD ARG 80 -13.400 -0.346 -7.840 633 HE ARG 80 HE ARG 80 -13.904 2.036 -6.209 634 HH11 ARG 80 1HH1 ARG 80 -13.844 0.631 -9.468 635 HH12 ARG 80 2HH1 ARG 80 -14.571 1.970 -10.209 636 HH21 ARG 80 1HH2 ARG 80 -14.897 3.916 -7.271 637 HH22 ARG 80 2HH2 ARG 80 -15.211 3.831 -8.931 638 H ARG 81 H ARG 81 -13.155 -2.802 -4.067 639 HA ARG 81 HA ARG 81 -15.730 -2.517 -2.813 640 HB2 ARG 81 1HB ARG 81 -15.504 -3.388 -5.077 641 HB3 ARG 81 2HB ARG 81 -14.508 -4.701 -4.481 642 HG2 ARG 81 1HG ARG 81 -16.408 -5.597 -3.252 643 HG3 ARG 81 2HG ARG 81 -17.416 -4.265 -3.834 644 HD2 ARG 81 1HD ARG 81 -17.001 -4.947 -6.131 645 HD3 ARG 81 2HD ARG 81 -15.974 -6.258 -5.557 646 HE ARG 81 HE ARG 81 -18.563 -6.389 -4.449 647 HH11 ARG 81 1HH1 ARG 81 -16.737 -7.026 -7.410 648 HH12 ARG 81 2HH1 ARG 81 -17.777 -8.272 -7.952 649 HH21 ARG 81 1HH2 ARG 81 -20.011 -8.127 -5.237 650 HH22 ARG 81 2HH2 ARG 81 -19.646 -8.883 -6.724 651 H ALA 82 H ALA 82 -12.872 -4.535 -2.594 652 HA ALA 82 HA ALA 82 -13.815 -6.410 -0.733 653 HB1 ALA 82 3HB ALA 82 -11.861 -6.789 -2.150 654 HB2 ALA 82 1HB ALA 82 -11.471 -7.024 -0.445 655 HB3 ALA 82 2HB ALA 82 -10.979 -5.545 -1.263 656 H VAL 83 H VAL 83 -11.759 -3.536 -0.222 657 HA VAL 83 HA VAL 83 -11.731 -3.900 2.636 658 HB VAL 83 HB VAL 83 -10.806 -1.497 1.004 659 HG11 VAL 83 1HG1 VAL 83 -9.341 -0.993 2.902 660 HG12 VAL 83 2HG1 VAL 83 -10.030 -2.349 3.796 661 HG13 VAL 83 3HG1 VAL 83 -11.041 -0.968 3.375 662 HG21 VAL 83 3HG2 VAL 83 -9.228 -3.901 1.912 663 HG22 VAL 83 1HG2 VAL 83 -8.557 -2.472 1.129 664 HG23 VAL 83 2HG2 VAL 83 -9.678 -3.515 0.252 665 H ALA 84 H ALA 84 -13.824 -2.562 0.435 666 HA ALA 84 HA ALA 84 -15.678 -1.350 0.453 667 HB1 ALA 84 3HB ALA 84 -17.084 -1.253 2.450 668 HB2 ALA 84 1HB ALA 84 -15.717 -1.737 3.458 669 HB3 ALA 84 2HB ALA 84 -16.392 -2.867 2.282 670 H SER 85 H SER 85 -14.112 0.213 -0.205 671 HA SER 85 HA SER 85 -14.433 2.600 1.397 672 HB2 SER 85 1HB SER 85 -12.031 3.120 0.490 673 HB3 SER 85 2HB SER 85 -12.199 2.118 1.939 674 HG SER 85 HG SER 85 -10.759 1.197 0.455 675 H HIS 86 H HIS 86 -15.388 4.121 0.157 676 HA HIS 86 HA HIS 86 -15.500 3.610 -2.703 677 HB2 HIS 86 1HB HIS 86 -17.574 4.116 -1.234 678 HB3 HIS 86 2HB HIS 86 -16.989 5.773 -1.212 679 HD1 HIS 86 HD1 HIS 86 -16.821 6.927 -3.794 680 HD2 HIS 86 HD2 HIS 86 -19.096 3.469 -3.325 681 HE1 HIS 86 HE1 HIS 86 -18.321 6.812 -5.774 682 H ASP 87 H ASP 87 -14.767 5.087 -4.188 683 HA ASP 87 HA ASP 87 -12.756 6.912 -3.300 684 HB2 ASP 87 1HB ASP 87 -12.459 7.360 -5.740 685 HB3 ASP 87 2HB ASP 87 -12.388 5.649 -5.355 686 H GLU 88 H GLU 88 -13.093 8.938 -2.719 687 HA GLU 88 HA GLU 88 -15.368 10.418 -3.761 688 HB2 GLU 88 1HB GLU 88 -15.016 9.989 -0.783 689 HB3 GLU 88 2HB GLU 88 -16.198 11.025 -1.543 690 HG2 GLU 88 1HG GLU 88 -17.330 9.105 -2.489 691 HG3 GLU 88 2HG GLU 88 -16.097 8.031 -1.827 692 H LEU 89 H LEU 89 -14.057 11.989 -4.600 693 HA LEU 89 HA LEU 89 -13.034 13.842 -2.674 694 HB2 LEU 89 1HB LEU 89 -11.071 12.369 -3.110 695 HB3 LEU 89 2HB LEU 89 -11.193 12.728 -4.816 696 HG LEU 89 HG LEU 89 -10.730 15.128 -4.291 697 HD11 LEU 89 1HD1 LEU 89 -11.474 15.184 -1.988 698 HD12 LEU 89 2HD1 LEU 89 -9.790 15.695 -2.112 699 HD13 LEU 89 3HD1 LEU 89 -10.179 14.080 -1.524 700 HD21 LEU 89 3HD2 LEU 89 -8.949 13.634 -5.040 701 HD22 LEU 89 1HD2 LEU 89 -8.636 13.164 -3.368 702 HD23 LEU 89 2HD2 LEU 89 -8.341 14.823 -3.887 Start of MODEL 16 1 H1 MET 1 1H MET 1 -19.004 -14.877 -1.802 2 H2 MET 1 2H MET 1 -20.087 -13.610 -1.982 3 H3 MET 1 3H MET 1 -20.675 -15.192 -1.954 4 HA MET 1 HA MET 1 -21.097 -13.982 0.053 5 HB2 MET 1 1HB MET 1 -18.997 -16.128 0.426 6 HB3 MET 1 2HB MET 1 -20.014 -15.499 1.706 7 HG2 MET 1 1HG MET 1 -21.990 -16.349 0.522 8 HG3 MET 1 2HG MET 1 -20.935 -17.016 -0.721 9 HE1 MET 1 3HE MET 1 -19.108 -18.893 -0.250 10 HE2 MET 1 1HE MET 1 -18.916 -19.707 1.302 11 HE3 MET 1 2HE MET 1 -18.433 -18.025 1.131 12 H GLU 2 H GLU 2 -17.623 -14.759 0.287 13 HA GLU 2 HA GLU 2 -16.859 -12.053 0.576 14 HB2 GLU 2 1HB GLU 2 -17.952 -12.521 2.784 15 HB3 GLU 2 2HB GLU 2 -16.810 -13.830 3.023 16 HG2 GLU 2 1HG GLU 2 -14.969 -12.174 2.883 17 HG3 GLU 2 2HG GLU 2 -16.187 -10.899 2.834 18 HA PRO 3 HA PRO 3 -13.477 -14.743 -0.681 19 HB2 PRO 3 1HB PRO 3 -11.929 -12.822 -1.783 20 HB3 PRO 3 2HB PRO 3 -13.345 -13.470 -2.608 21 HG2 PRO 3 1HG PRO 3 -13.025 -10.905 -1.119 22 HG3 PRO 3 2HG PRO 3 -13.940 -11.231 -2.600 23 HD2 PRO 3 1HD PRO 3 -15.046 -11.025 -0.082 24 HD3 PRO 3 2HD PRO 3 -15.790 -11.896 -1.436 25 HA PRO 4 HA PRO 4 -10.590 -13.749 2.693 26 HB2 PRO 4 1HB PRO 4 -8.878 -15.832 1.501 27 HB3 PRO 4 2HB PRO 4 -9.616 -15.813 3.104 28 HG2 PRO 4 1HG PRO 4 -10.443 -17.501 1.169 29 HG3 PRO 4 2HG PRO 4 -11.560 -16.812 2.361 30 HD2 PRO 4 1HD PRO 4 -11.084 -15.990 -0.481 31 HD3 PRO 4 2HD PRO 4 -12.613 -16.155 0.416 32 HA PRO 5 HA PRO 5 -8.474 -11.494 -0.563 33 HB2 PRO 5 1HB PRO 5 -8.469 -9.087 0.550 34 HB3 PRO 5 2HB PRO 5 -9.949 -9.850 -0.042 35 HG2 PRO 5 1HG PRO 5 -9.051 -9.414 2.746 36 HG3 PRO 5 2HG PRO 5 -10.692 -9.595 2.110 37 HD2 PRO 5 1HD PRO 5 -9.050 -11.598 3.361 38 HD3 PRO 5 2HD PRO 5 -10.689 -11.765 2.700 39 H LYS 6 H LYS 6 -6.441 -11.590 -1.014 40 HA LYS 6 HA LYS 6 -4.523 -10.510 0.890 41 HB2 LYS 6 1HB LYS 6 -4.119 -12.575 -1.271 42 HB3 LYS 6 2HB LYS 6 -2.786 -11.724 -0.510 43 HG2 LYS 6 1HG LYS 6 -3.580 -12.644 1.685 44 HG3 LYS 6 2HG LYS 6 -4.714 -13.642 0.771 45 HD2 LYS 6 1HD LYS 6 -1.723 -13.639 0.360 46 HD3 LYS 6 2HD LYS 6 -2.588 -14.806 1.359 47 HE2 LYS 6 1HE LYS 6 -3.167 -14.364 -1.570 48 HE3 LYS 6 2HE LYS 6 -2.023 -15.563 -0.983 49 HZ1 LYS 6 3HZ LYS 6 -4.929 -15.501 -0.292 50 HZ2 LYS 6 1HZ LYS 6 -3.790 -16.619 0.236 51 HZ3 LYS 6 2HZ LYS 6 -4.186 -16.541 -1.386 52 H LEU 7 H LEU 7 -4.427 -8.517 0.381 53 HA LEU 7 HA LEU 7 -4.929 -7.545 -2.245 54 HB2 LEU 7 1HB LEU 7 -4.013 -6.120 0.269 55 HB3 LEU 7 2HB LEU 7 -4.405 -5.308 -1.225 56 HG LEU 7 HG LEU 7 -6.788 -6.204 -0.958 57 HD11 LEU 7 1HD1 LEU 7 -6.379 -8.010 0.580 58 HD12 LEU 7 2HD1 LEU 7 -7.535 -6.853 1.241 59 HD13 LEU 7 3HD1 LEU 7 -5.870 -6.864 1.818 60 HD21 LEU 7 3HD2 LEU 7 -6.221 -3.901 -0.461 61 HD22 LEU 7 1HD2 LEU 7 -5.739 -4.363 1.172 62 HD23 LEU 7 2HD2 LEU 7 -7.422 -4.522 0.671 63 H VAL 8 H VAL 8 -3.514 -7.554 -3.760 64 HA VAL 8 HA VAL 8 -0.715 -7.922 -3.140 65 HB VAL 8 HB VAL 8 -2.126 -7.976 -5.827 66 HG11 VAL 8 1HG1 VAL 8 0.671 -8.820 -5.079 67 HG12 VAL 8 2HG1 VAL 8 0.244 -7.406 -6.043 68 HG13 VAL 8 3HG1 VAL 8 -0.070 -9.029 -6.665 69 HG21 VAL 8 3HG2 VAL 8 -1.173 -10.233 -4.068 70 HG22 VAL 8 1HG2 VAL 8 -1.858 -10.408 -5.684 71 HG23 VAL 8 2HG2 VAL 8 -2.852 -9.786 -4.361 72 H LEU 9 H LEU 9 0.631 -6.382 -3.121 73 HA LEU 9 HA LEU 9 0.009 -3.793 -4.359 74 HB2 LEU 9 1HB LEU 9 1.969 -4.497 -2.170 75 HB3 LEU 9 2HB LEU 9 1.699 -2.892 -2.806 76 HG LEU 9 HG LEU 9 -0.338 -4.526 -1.279 77 HD11 LEU 9 1HD1 LEU 9 1.504 -3.809 0.137 78 HD12 LEU 9 2HD1 LEU 9 0.035 -2.909 0.513 79 HD13 LEU 9 3HD1 LEU 9 1.314 -2.153 -0.436 80 HD21 LEU 9 3HD2 LEU 9 -1.627 -2.442 -1.222 81 HD22 LEU 9 1HD2 LEU 9 -1.382 -2.997 -2.877 82 HD23 LEU 9 2HD2 LEU 9 -0.415 -1.664 -2.242 83 H ASP 10 H ASP 10 1.170 -3.266 -6.065 84 HA ASP 10 HA ASP 10 3.356 -4.923 -6.980 85 HB2 ASP 10 1HB ASP 10 1.695 -3.861 -8.548 86 HB3 ASP 10 2HB ASP 10 2.350 -2.289 -8.109 87 H LEU 11 H LEU 11 5.360 -4.669 -6.295 88 HA LEU 11 HA LEU 11 6.006 -2.393 -4.655 89 HB2 LEU 11 1HB LEU 11 7.634 -4.836 -5.315 90 HB3 LEU 11 2HB LEU 11 8.108 -3.593 -4.179 91 HG LEU 11 HG LEU 11 5.720 -5.425 -3.897 92 HD11 LEU 11 1HD1 LEU 11 8.352 -5.340 -2.441 93 HD12 LEU 11 2HD1 LEU 11 7.810 -6.585 -3.567 94 HD13 LEU 11 3HD1 LEU 11 6.990 -6.378 -2.026 95 HD21 LEU 11 3HD2 LEU 11 6.803 -3.305 -2.033 96 HD22 LEU 11 1HD2 LEU 11 5.533 -4.464 -1.636 97 HD23 LEU 11 2HD2 LEU 11 5.259 -3.261 -2.888 98 H GLU 12 H GLU 12 6.683 -3.369 -7.912 99 HA GLU 12 HA GLU 12 8.941 -1.591 -8.027 100 HB2 GLU 12 1HB GLU 12 8.849 -2.055 -10.550 101 HB3 GLU 12 2HB GLU 12 9.247 -3.407 -9.505 102 HG2 GLU 12 1HG GLU 12 7.045 -4.290 -9.727 103 HG3 GLU 12 2HG GLU 12 6.516 -2.861 -10.606 104 H ARG 13 H ARG 13 5.587 -1.563 -8.896 105 HA ARG 13 HA ARG 13 5.512 0.960 -10.171 106 HB2 ARG 13 1HB ARG 13 3.664 -0.934 -9.690 107 HB3 ARG 13 2HB ARG 13 3.264 0.176 -8.388 108 HG2 ARG 13 1HG ARG 13 1.863 0.655 -10.275 109 HG3 ARG 13 2HG ARG 13 3.022 1.984 -10.101 110 HD2 ARG 13 1HD ARG 13 2.711 1.136 -12.454 111 HD3 ARG 13 2HD ARG 13 4.381 1.144 -11.883 112 HE ARG 13 HE ARG 13 2.795 -1.273 -11.565 113 HH11 ARG 13 1HH1 ARG 13 5.279 0.311 -13.524 114 HH12 ARG 13 2HH1 ARG 13 6.119 -1.123 -13.857 115 HH21 ARG 13 1HH2 ARG 13 4.011 -3.200 -11.907 116 HH22 ARG 13 2HH2 ARG 13 5.438 -3.179 -12.850 117 H LEU 14 H LEU 14 5.330 -0.115 -6.868 118 HA LEU 14 HA LEU 14 4.761 2.254 -5.537 119 HB2 LEU 14 1HB LEU 14 4.764 0.047 -4.485 120 HB3 LEU 14 2HB LEU 14 6.501 -0.048 -4.669 121 HG LEU 14 HG LEU 14 6.741 1.869 -3.126 122 HD11 LEU 14 1HD1 LEU 14 3.775 1.547 -2.774 123 HD12 LEU 14 2HD1 LEU 14 4.600 2.923 -3.510 124 HD13 LEU 14 3HD1 LEU 14 4.833 2.566 -1.802 125 HD21 LEU 14 3HD2 LEU 14 6.192 0.637 -1.094 126 HD22 LEU 14 1HD2 LEU 14 6.910 -0.424 -2.304 127 HD23 LEU 14 2HD2 LEU 14 5.170 -0.461 -2.023 128 H ALA 15 H ALA 15 7.849 0.954 -6.629 129 HA ALA 15 HA ALA 15 9.458 2.972 -5.446 130 HB1 ALA 15 3HB ALA 15 10.355 0.796 -6.085 131 HB2 ALA 15 1HB ALA 15 11.253 2.109 -6.847 132 HB3 ALA 15 2HB ALA 15 10.078 1.180 -7.783 133 H THR 16 H THR 16 7.563 2.898 -8.302 134 HA THR 16 HA THR 16 8.982 5.185 -9.387 135 HB THR 16 HB THR 16 7.395 4.939 -11.346 136 HG1 THR 16 HG1 THR 16 6.186 3.216 -9.673 137 HG21 THR 16 3HG2 THR 16 9.647 4.003 -11.430 138 HG22 THR 16 1HG2 THR 16 8.510 2.931 -12.245 139 HG23 THR 16 2HG2 THR 16 9.082 2.537 -10.624 140 H VAL 17 H VAL 17 6.961 4.989 -7.011 141 HA VAL 17 HA VAL 17 5.230 7.209 -7.804 142 HB VAL 17 HB VAL 17 5.167 5.412 -5.340 143 HG11 VAL 17 1HG1 VAL 17 3.193 7.555 -6.148 144 HG12 VAL 17 2HG1 VAL 17 4.337 7.665 -4.812 145 HG13 VAL 17 3HG1 VAL 17 3.040 6.471 -4.765 146 HG21 VAL 17 3HG2 VAL 17 3.079 4.542 -6.274 147 HG22 VAL 17 1HG2 VAL 17 4.445 4.267 -7.356 148 HG23 VAL 17 2HG2 VAL 17 3.296 5.564 -7.695 149 HA PRO 18 HA PRO 18 7.837 10.424 -6.028 150 HB2 PRO 18 1HB PRO 18 5.195 11.066 -4.768 151 HB3 PRO 18 2HB PRO 18 6.393 12.166 -5.459 152 HG2 PRO 18 1HG PRO 18 4.278 11.469 -6.885 153 HG3 PRO 18 2HG PRO 18 5.875 11.572 -7.646 154 HD2 PRO 18 1HD PRO 18 4.263 9.181 -6.964 155 HD3 PRO 18 2HD PRO 18 5.495 9.392 -8.226 156 H ALA 19 H ALA 19 9.079 10.538 -4.308 157 HA ALA 19 HA ALA 19 9.015 8.688 -2.220 158 HB1 ALA 19 3HB ALA 19 11.063 9.760 -3.069 159 HB2 ALA 19 1HB ALA 19 10.917 9.879 -1.314 160 HB3 ALA 19 2HB ALA 19 10.556 11.275 -2.327 161 H GLU 20 H GLU 20 7.560 11.806 -2.420 162 HA GLU 20 HA GLU 20 7.243 12.304 0.354 163 HB2 GLU 20 1HB GLU 20 5.501 13.146 -1.962 164 HB3 GLU 20 2HB GLU 20 5.466 13.850 -0.353 165 HG2 GLU 20 1HG GLU 20 7.850 13.875 -2.173 166 HG3 GLU 20 2HG GLU 20 6.692 15.192 -2.017 167 H LYS 21 H LYS 21 5.521 10.379 -1.954 168 HA LYS 21 HA LYS 21 3.304 9.895 -0.109 169 HB2 LYS 21 1HB LYS 21 3.695 9.254 -3.027 170 HB3 LYS 21 2HB LYS 21 2.293 8.763 -2.095 171 HG2 LYS 21 1HG LYS 21 1.678 11.064 -1.728 172 HG3 LYS 21 2HG LYS 21 3.155 11.613 -2.519 173 HD2 LYS 21 1HD LYS 21 2.439 10.776 -4.625 174 HD3 LYS 21 2HD LYS 21 1.075 9.924 -3.910 175 HE2 LYS 21 1HE LYS 21 1.438 12.917 -3.941 176 HE3 LYS 21 2HE LYS 21 0.414 12.026 -5.053 177 HZ1 LYS 21 3HZ LYS 21 0.076 12.166 -2.111 178 HZ2 LYS 21 1HZ LYS 21 -0.904 11.259 -3.143 179 HZ3 LYS 21 2HZ LYS 21 -0.869 12.942 -3.240 180 H ALA 22 H ALA 22 5.570 8.088 -2.170 181 HA ALA 22 HA ALA 22 4.750 5.627 -0.871 182 HB1 ALA 22 3HB ALA 22 6.534 6.097 -3.231 183 HB2 ALA 22 1HB ALA 22 4.826 5.680 -3.269 184 HB3 ALA 22 2HB ALA 22 6.005 4.523 -2.638 185 H GLY 23 H GLY 23 7.135 7.909 -0.402 186 HA2 GLY 23 1HA GLY 23 9.480 6.486 0.063 187 HA3 GLY 23 2HA GLY 23 9.020 7.959 0.902 188 HA PRO 24 HA PRO 24 8.163 5.804 4.743 189 HB2 PRO 24 1HB PRO 24 5.235 6.159 4.364 190 HB3 PRO 24 2HB PRO 24 6.228 6.559 5.776 191 HG2 PRO 24 1HG PRO 24 5.374 8.494 4.203 192 HG3 PRO 24 2HG PRO 24 7.051 8.512 4.783 193 HD2 PRO 24 1HD PRO 24 5.987 7.725 2.098 194 HD3 PRO 24 2HD PRO 24 7.445 8.658 2.500 195 H LEU 25 H LEU 25 6.023 5.004 2.089 196 HA LEU 25 HA LEU 25 5.224 2.513 3.169 197 HB2 LEU 25 1HB LEU 25 3.749 3.755 1.693 198 HB3 LEU 25 2HB LEU 25 4.877 3.622 0.372 199 HG LEU 25 HG LEU 25 4.425 1.253 0.140 200 HD11 LEU 25 1HD1 LEU 25 2.786 0.123 1.585 201 HD12 LEU 25 2HD1 LEU 25 2.723 1.563 2.612 202 HD13 LEU 25 3HD1 LEU 25 4.218 0.642 2.467 203 HD21 LEU 25 3HD2 LEU 25 2.846 2.809 -0.904 204 HD22 LEU 25 1HD2 LEU 25 1.861 2.781 0.558 205 HD23 LEU 25 2HD2 LEU 25 2.054 1.314 -0.399 206 H GLN 26 H GLN 26 7.837 3.512 1.057 207 HA GLN 26 HA GLN 26 8.682 1.019 0.072 208 HB2 GLN 26 1HB GLN 26 10.510 3.205 1.107 209 HB3 GLN 26 2HB GLN 26 10.958 1.914 0.020 210 HG2 GLN 26 1HG GLN 26 9.134 4.227 -0.569 211 HG3 GLN 26 2HG GLN 26 10.770 3.983 -1.172 212 HE21 GLN 26 2HE2 GLN 26 8.471 4.434 -2.662 213 HE22 GLN 26 1HE2 GLN 26 8.165 3.091 -3.687 214 H ARG 27 H ARG 27 9.408 2.699 3.023 215 HA ARG 27 HA ARG 27 11.140 0.851 4.256 216 HB2 ARG 27 1HB ARG 27 9.209 2.689 5.638 217 HB3 ARG 27 2HB ARG 27 10.690 2.012 6.285 218 HG2 ARG 27 1HG ARG 27 11.977 3.357 4.680 219 HG3 ARG 27 2HG ARG 27 10.472 4.030 4.056 220 HD2 ARG 27 1HD ARG 27 11.598 4.342 6.834 221 HD3 ARG 27 2HD ARG 27 11.438 5.591 5.604 222 HE ARG 27 HE ARG 27 9.007 4.275 6.546 223 HH11 ARG 27 1HH1 ARG 27 10.982 7.229 6.468 224 HH12 ARG 27 2HH1 ARG 27 9.836 8.180 7.272 225 HH21 ARG 27 1HH2 ARG 27 7.423 5.597 7.595 226 HH22 ARG 27 2HH2 ARG 27 7.727 7.241 7.899 227 H TYR 28 H TYR 28 7.711 1.481 4.671 228 HA TYR 28 HA TYR 28 7.036 -0.433 6.547 229 HB2 TYR 28 1HB TYR 28 5.580 1.418 5.809 230 HB3 TYR 28 2HB TYR 28 5.372 0.626 4.259 231 HD1 TYR 28 HD2 TYR 28 4.692 0.285 7.875 232 HD2 TYR 28 HD1 TYR 28 3.641 -0.962 3.958 233 HE1 TYR 28 HE2 TYR 28 2.697 -0.843 8.775 234 HE2 TYR 28 HE1 TYR 28 1.642 -2.083 4.841 235 HH TYR 28 HH TYR 28 0.696 -2.942 6.848 236 H ALA 29 H ALA 29 6.797 -0.706 2.998 237 HA ALA 29 HA ALA 29 5.911 -3.361 2.947 238 HB1 ALA 29 3HB ALA 29 7.446 -1.865 0.826 239 HB2 ALA 29 1HB ALA 29 5.698 -1.834 1.044 240 HB3 ALA 29 2HB ALA 29 6.501 -3.336 0.581 241 H ALA 30 H ALA 30 9.194 -2.006 2.786 242 HA ALA 30 HA ALA 30 10.480 -4.466 2.297 243 HB1 ALA 30 3HB ALA 30 12.531 -3.311 2.879 244 HB2 ALA 30 1HB ALA 30 11.608 -1.997 3.615 245 HB3 ALA 30 2HB ALA 30 11.517 -2.275 1.875 246 H THR 31 H THR 31 9.509 -2.842 5.220 247 HA THR 31 HA THR 31 10.887 -4.518 7.029 248 HB THR 31 HB THR 31 8.338 -2.927 7.495 249 HG1 THR 31 HG1 THR 31 9.891 -1.519 6.858 250 HG21 THR 31 3HG2 THR 31 10.440 -3.928 9.434 251 HG22 THR 31 1HG2 THR 31 8.808 -4.576 9.278 252 HG23 THR 31 2HG2 THR 31 9.052 -2.925 9.852 253 H ILE 32 H ILE 32 7.604 -4.602 5.662 254 HA ILE 32 HA ILE 32 6.583 -6.811 7.025 255 HB ILE 32 HB ILE 32 6.061 -6.002 4.149 256 HG12 ILE 32 1HG1 ILE 32 4.529 -5.316 6.673 257 HG13 ILE 32 2HG1 ILE 32 5.581 -4.219 5.787 258 HG21 ILE 32 1HG2 ILE 32 5.333 -8.287 4.531 259 HG22 ILE 32 2HG2 ILE 32 3.925 -7.232 4.390 260 HG23 ILE 32 3HG2 ILE 32 4.451 -7.794 5.975 261 HD11 ILE 32 3HD1 ILE 32 3.058 -5.472 4.733 262 HD12 ILE 32 1HD1 ILE 32 4.099 -4.350 3.860 263 HD13 ILE 32 2HD1 ILE 32 3.240 -3.808 5.298 264 H GLN 33 H GLN 33 8.368 -6.644 3.981 265 HA GLN 33 HA GLN 33 8.437 -9.386 3.429 266 HB2 GLN 33 1HB GLN 33 10.468 -7.269 2.741 267 HB3 GLN 33 2HB GLN 33 10.437 -8.881 2.052 268 HG2 GLN 33 1HG GLN 33 8.251 -8.406 1.059 269 HG3 GLN 33 2HG GLN 33 8.304 -6.779 1.744 270 HE21 GLN 33 2HE2 GLN 33 9.623 -8.923 -0.637 271 HE22 GLN 33 1HE2 GLN 33 10.472 -7.736 -1.535 272 H SER 34 H SER 34 10.920 -7.358 4.946 273 HA SER 34 HA SER 34 12.806 -9.281 5.517 274 HB2 SER 34 1HB SER 34 13.097 -6.798 5.656 275 HB3 SER 34 2HB SER 34 12.183 -6.809 7.156 276 HG SER 34 HG SER 34 13.840 -7.720 8.185 277 H GLN 35 H GLN 35 10.044 -8.266 7.537 278 HA GLN 35 HA GLN 35 10.731 -9.834 9.784 279 HB2 GLN 35 1HB GLN 35 8.098 -8.673 8.906 280 HB3 GLN 35 2HB GLN 35 8.351 -9.459 10.460 281 HG2 GLN 35 1HG GLN 35 10.006 -7.811 11.051 282 HG3 GLN 35 2HG GLN 35 9.843 -7.047 9.476 283 HE21 GLN 35 2HE2 GLN 35 9.438 -6.009 12.134 284 HE22 GLN 35 1HE2 GLN 35 7.836 -5.379 12.191 285 H ARG 36 H ARG 36 8.917 -10.530 6.899 286 HA ARG 36 HA ARG 36 7.977 -13.038 8.018 287 HB2 ARG 36 1HB ARG 36 7.460 -11.770 5.349 288 HB3 ARG 36 2HB ARG 36 6.732 -13.276 5.914 289 HG2 ARG 36 1HG ARG 36 5.703 -12.037 7.769 290 HG3 ARG 36 2HG ARG 36 6.388 -10.545 7.126 291 HD2 ARG 36 1HD ARG 36 5.148 -10.907 5.035 292 HD3 ARG 36 2HD ARG 36 4.429 -12.359 5.732 293 HE ARG 36 HE ARG 36 4.103 -9.812 7.107 294 HH11 ARG 36 1HH1 ARG 36 2.595 -12.473 5.255 295 HH12 ARG 36 2HH1 ARG 36 1.011 -11.968 5.609 296 HH21 ARG 36 1HH2 ARG 36 1.862 -9.136 7.548 297 HH22 ARG 36 2HH2 ARG 36 0.599 -10.083 6.946 298 H GLY 37 H GLY 37 10.829 -12.209 6.821 299 HA2 GLY 37 1HA GLY 37 12.488 -13.902 6.537 300 HA3 GLY 37 2HA GLY 37 11.253 -14.966 5.886 301 H ASP 38 H ASP 38 10.964 -11.918 4.630 302 HA ASP 38 HA ASP 38 11.529 -10.798 2.802 303 HB2 ASP 38 1HB ASP 38 13.898 -11.297 3.237 304 HB3 ASP 38 2HB ASP 38 13.745 -12.808 2.357 305 H TYR 39 H TYR 39 10.891 -10.691 0.729 306 HA TYR 39 HA TYR 39 9.877 -13.136 -0.500 307 HB2 TYR 39 1HB TYR 39 8.241 -10.720 0.214 308 HB3 TYR 39 2HB TYR 39 7.789 -11.741 -1.140 309 HD1 TYR 39 HD1 TYR 39 7.379 -14.211 -0.655 310 HD2 TYR 39 HD2 TYR 39 7.580 -11.257 2.390 311 HE1 TYR 39 HE1 TYR 39 6.147 -15.702 0.857 312 HE2 TYR 39 HE2 TYR 39 6.343 -12.742 3.909 313 HH TYR 39 HH TYR 39 5.834 -16.031 3.221 314 H ASN 40 H ASN 40 8.708 -12.267 -2.674 315 HA ASN 40 HA ASN 40 10.844 -11.406 -4.289 316 HB2 ASN 40 1HB ASN 40 7.908 -11.874 -4.903 317 HB3 ASN 40 2HB ASN 40 9.143 -11.537 -6.105 318 HD21 ASN 40 2HD2 ASN 40 7.386 -13.872 -5.684 319 HD22 ASN 40 1HD2 ASN 40 8.453 -15.222 -5.580 320 H GLY 41 H GLY 41 11.356 -9.474 -4.486 321 HA2 GLY 41 1HA GLY 41 9.898 -7.213 -3.493 322 HA3 GLY 41 2HA GLY 41 11.398 -7.133 -4.389 323 H LYS 42 H LYS 42 8.750 -8.705 -5.807 324 HA LYS 42 HA LYS 42 8.433 -6.541 -7.738 325 HB2 LYS 42 1HB LYS 42 7.814 -9.491 -7.900 326 HB3 LYS 42 2HB LYS 42 7.367 -8.339 -9.153 327 HG2 LYS 42 1HG LYS 42 9.660 -7.813 -9.595 328 HG3 LYS 42 2HG LYS 42 10.197 -8.746 -8.207 329 HD2 LYS 42 1HD LYS 42 8.776 -9.932 -10.588 330 HD3 LYS 42 2HD LYS 42 10.529 -9.842 -10.445 331 HE2 LYS 42 1HE LYS 42 10.361 -11.122 -8.324 332 HE3 LYS 42 2HE LYS 42 8.637 -11.310 -8.613 333 HZ1 LYS 42 3HZ LYS 42 9.937 -13.243 -9.331 334 HZ2 LYS 42 1HZ LYS 42 10.785 -12.282 -10.411 335 HZ3 LYS 42 2HZ LYS 42 9.143 -12.535 -10.639 336 H VAL 43 H VAL 43 6.537 -8.880 -5.799 337 HA VAL 43 HA VAL 43 4.445 -6.897 -5.555 338 HB VAL 43 HB VAL 43 2.654 -8.601 -5.921 339 HG11 VAL 43 1HG1 VAL 43 2.729 -8.655 -8.381 340 HG12 VAL 43 2HG1 VAL 43 4.417 -8.147 -8.322 341 HG13 VAL 43 3HG1 VAL 43 3.151 -7.075 -7.727 342 HG21 VAL 43 3HG2 VAL 43 3.933 -10.634 -5.537 343 HG22 VAL 43 1HG2 VAL 43 4.893 -10.320 -6.981 344 HG23 VAL 43 2HG2 VAL 43 3.175 -10.688 -7.130 345 H LEU 44 H LEU 44 3.347 -7.001 -3.671 346 HA LEU 44 HA LEU 44 4.179 -9.041 -1.706 347 HB2 LEU 44 1HB LEU 44 5.170 -6.800 -1.274 348 HB3 LEU 44 2HB LEU 44 3.564 -6.115 -1.219 349 HG LEU 44 HG LEU 44 3.083 -7.482 0.797 350 HD11 LEU 44 1HD1 LEU 44 6.002 -8.226 0.610 351 HD12 LEU 44 2HD1 LEU 44 4.629 -9.320 0.422 352 HD13 LEU 44 3HD1 LEU 44 4.944 -8.556 1.979 353 HD21 LEU 44 3HD2 LEU 44 3.848 -5.180 1.016 354 HD22 LEU 44 1HD2 LEU 44 5.527 -5.722 0.978 355 HD23 LEU 44 2HD2 LEU 44 4.483 -6.178 2.322 356 H SER 45 H SER 45 2.460 -9.569 -0.116 357 HA SER 45 HA SER 45 -0.206 -8.697 -0.940 358 HB2 SER 45 1HB SER 45 0.588 -11.563 -0.382 359 HB3 SER 45 2HB SER 45 -1.017 -10.974 -0.833 360 HG SER 45 HG SER 45 0.607 -10.035 -2.611 361 H ILE 46 H ILE 46 -1.392 -8.064 0.755 362 HA ILE 46 HA ILE 46 -0.942 -9.257 3.366 363 HB ILE 46 HB ILE 46 -1.246 -6.907 4.405 364 HG12 ILE 46 1HG1 ILE 46 -0.114 -5.064 3.051 365 HG13 ILE 46 2HG1 ILE 46 -0.285 -6.100 1.643 366 HG21 ILE 46 1HG2 ILE 46 1.358 -7.665 3.129 367 HG22 ILE 46 2HG2 ILE 46 0.751 -8.169 4.709 368 HG23 ILE 46 3HG2 ILE 46 1.162 -6.478 4.417 369 HD11 ILE 46 3HD1 ILE 46 -2.520 -4.947 3.296 370 HD12 ILE 46 1HD1 ILE 46 -2.715 -6.013 1.905 371 HD13 ILE 46 2HD1 ILE 46 -2.009 -4.408 1.695 372 H ARG 47 H ARG 47 -2.729 -8.259 4.972 373 HA ARG 47 HA ARG 47 -5.255 -8.674 3.539 374 HB2 ARG 47 1HB ARG 47 -4.437 -9.112 6.366 375 HB3 ARG 47 2HB ARG 47 -6.110 -8.692 6.051 376 HG2 ARG 47 1HG ARG 47 -5.855 -11.095 6.204 377 HG3 ARG 47 2HG ARG 47 -6.313 -10.637 4.569 378 HD2 ARG 47 1HD ARG 47 -3.938 -10.835 3.899 379 HD3 ARG 47 2HD ARG 47 -3.554 -11.362 5.537 380 HE ARG 47 HE ARG 47 -5.601 -12.889 4.206 381 HH11 ARG 47 1HH1 ARG 47 -2.115 -12.624 4.874 382 HH12 ARG 47 2HH1 ARG 47 -1.774 -14.251 4.593 383 HH21 ARG 47 1HH2 ARG 47 -5.134 -15.178 3.803 384 HH22 ARG 47 2HH2 ARG 47 -3.527 -15.731 3.986 385 H GLN 48 H GLN 48 -7.122 -7.586 4.449 386 HA GLN 48 HA GLN 48 -7.067 -4.958 3.612 387 HB2 GLN 48 1HB GLN 48 -9.374 -4.861 4.533 388 HB3 GLN 48 2HB GLN 48 -9.059 -6.245 3.493 389 HG2 GLN 48 1HG GLN 48 -8.828 -7.664 5.473 390 HG3 GLN 48 2HG GLN 48 -9.106 -6.265 6.507 391 HE21 GLN 48 2HE2 GLN 48 -10.512 -8.527 4.325 392 HE22 GLN 48 1HE2 GLN 48 -12.153 -8.131 4.675 393 H ASP 49 H ASP 49 -6.896 -6.260 6.922 394 HA ASP 49 HA ASP 49 -7.319 -3.743 8.182 395 HB2 ASP 49 1HB ASP 49 -6.868 -4.983 10.265 396 HB3 ASP 49 2HB ASP 49 -8.045 -5.818 9.263 397 H ASP 50 H ASP 50 -4.642 -5.485 6.956 398 HA ASP 50 HA ASP 50 -2.666 -4.102 8.525 399 HB2 ASP 50 1HB ASP 50 -2.297 -6.364 7.459 400 HB3 ASP 50 2HB ASP 50 -2.219 -5.540 5.902 401 H LEU 51 H LEU 51 -3.986 -3.869 5.270 402 HA LEU 51 HA LEU 51 -2.377 -1.729 4.402 403 HB2 LEU 51 1HB LEU 51 -3.735 -3.140 2.874 404 HB3 LEU 51 2HB LEU 51 -5.184 -2.376 3.491 405 HG LEU 51 HG LEU 51 -4.314 -0.184 2.638 406 HD11 LEU 51 1HD1 LEU 51 -2.252 -1.915 1.292 407 HD12 LEU 51 2HD1 LEU 51 -1.951 -0.700 2.535 408 HD13 LEU 51 3HD1 LEU 51 -2.551 -0.213 0.950 409 HD21 LEU 51 3HD2 LEU 51 -5.968 -1.483 1.391 410 HD22 LEU 51 1HD2 LEU 51 -4.669 -2.345 0.571 411 HD23 LEU 51 2HD2 LEU 51 -4.875 -0.613 0.314 412 H ARG 52 H ARG 52 -5.250 -1.810 6.344 413 HA ARG 52 HA ARG 52 -5.930 0.927 6.094 414 HB2 ARG 52 1HB ARG 52 -7.563 -0.706 6.905 415 HB3 ARG 52 2HB ARG 52 -6.588 -1.012 8.331 416 HG2 ARG 52 1HG ARG 52 -6.963 1.269 9.102 417 HG3 ARG 52 2HG ARG 52 -7.888 1.623 7.644 418 HD2 ARG 52 1HD ARG 52 -9.355 1.195 9.527 419 HD3 ARG 52 2HD ARG 52 -9.548 -0.055 8.297 420 HE ARG 52 HE ARG 52 -7.660 -0.828 10.249 421 HH11 ARG 52 1HH1 ARG 52 -11.143 -0.368 9.885 422 HH12 ARG 52 2HH1 ARG 52 -11.581 -1.597 10.984 423 HH21 ARG 52 1HH2 ARG 52 -8.241 -2.491 11.816 424 HH22 ARG 52 2HH2 ARG 52 -9.879 -2.821 12.111 425 H THR 53 H THR 53 -3.461 -0.686 7.872 426 HA THR 53 HA THR 53 -3.025 1.109 9.967 427 HB THR 53 HB THR 53 -0.930 -0.505 8.483 428 HG1 THR 53 HG1 THR 53 -2.059 -2.108 9.110 429 HG21 THR 53 3HG2 THR 53 0.182 -0.582 10.679 430 HG22 THR 53 1HG2 THR 53 -1.101 0.415 11.367 431 HG23 THR 53 2HG2 THR 53 -0.024 1.083 10.138 432 H LEU 54 H LEU 54 -2.141 1.211 6.574 433 HA LEU 54 HA LEU 54 -0.157 3.208 6.672 434 HB2 LEU 54 1HB LEU 54 -2.064 2.457 4.468 435 HB3 LEU 54 2HB LEU 54 -0.846 3.696 4.282 436 HG LEU 54 HG LEU 54 0.904 1.957 4.673 437 HD11 LEU 54 1HD1 LEU 54 -1.424 0.077 4.516 438 HD12 LEU 54 2HD1 LEU 54 -0.371 0.327 5.912 439 HD13 LEU 54 3HD1 LEU 54 0.274 -0.392 4.434 440 HD21 LEU 54 3HD2 LEU 54 -1.009 1.502 2.402 441 HD22 LEU 54 1HD2 LEU 54 0.655 0.916 2.487 442 HD23 LEU 54 2HD2 LEU 54 0.338 2.648 2.458 443 H ALA 55 H ALA 55 -3.625 3.380 6.615 444 HA ALA 55 HA ALA 55 -3.860 6.144 6.069 445 HB1 ALA 55 3HB ALA 55 -6.148 5.906 6.933 446 HB2 ALA 55 1HB ALA 55 -5.745 4.317 7.576 447 HB3 ALA 55 2HB ALA 55 -5.751 4.583 5.834 448 H VAL 56 H VAL 56 -3.318 4.267 8.946 449 HA VAL 56 HA VAL 56 -3.707 6.431 10.775 450 HB VAL 56 HB VAL 56 -2.254 3.796 11.198 451 HG11 VAL 56 1HG1 VAL 56 -1.705 5.430 12.909 452 HG12 VAL 56 2HG1 VAL 56 -2.706 4.143 13.581 453 HG13 VAL 56 3HG1 VAL 56 -3.419 5.712 13.214 454 HG21 VAL 56 3HG2 VAL 56 -5.142 4.491 11.735 455 HG22 VAL 56 1HG2 VAL 56 -4.355 2.976 12.179 456 HG23 VAL 56 2HG2 VAL 56 -4.551 3.403 10.480 457 H ILE 57 H ILE 57 -0.998 4.902 9.140 458 HA ILE 57 HA ILE 57 1.129 6.206 10.449 459 HB ILE 57 HB ILE 57 1.133 5.350 7.533 460 HG12 ILE 57 1HG1 ILE 57 1.847 3.745 10.008 461 HG13 ILE 57 2HG1 ILE 57 0.437 3.519 8.970 462 HG21 ILE 57 1HG2 ILE 57 3.565 5.130 7.853 463 HG22 ILE 57 2HG2 ILE 57 3.399 5.718 9.506 464 HG23 ILE 57 3HG2 ILE 57 3.021 6.783 8.151 465 HD11 ILE 57 3HD1 ILE 57 1.900 2.906 7.109 466 HD12 ILE 57 1HD1 ILE 57 2.145 1.855 8.504 467 HD13 ILE 57 2HD1 ILE 57 3.306 3.130 8.148 468 H TYR 58 H TYR 58 -0.571 7.064 7.446 469 HA TYR 58 HA TYR 58 0.985 9.531 7.268 470 HB2 TYR 58 1HB TYR 58 -1.289 8.773 5.441 471 HB3 TYR 58 2HB TYR 58 0.076 9.829 5.099 472 HD1 TYR 58 HD2 TYR 58 2.313 8.026 6.047 473 HD2 TYR 58 HD1 TYR 58 -1.160 7.213 3.746 474 HE1 TYR 58 HE2 TYR 58 3.421 6.074 5.066 475 HE2 TYR 58 HE1 TYR 58 -0.051 5.264 2.755 476 HH TYR 58 HH TYR 58 2.156 4.441 2.352 477 H ASP 59 H ASP 59 -1.579 8.590 8.939 478 HA ASP 59 HA ASP 59 -3.412 9.440 9.847 479 HB2 ASP 59 1HB ASP 59 -1.830 10.791 11.086 480 HB3 ASP 59 2HB ASP 59 -1.787 11.985 9.794 481 H GLN 60 H GLN 60 -4.301 8.900 7.852 482 HA GLN 60 HA GLN 60 -5.952 11.083 6.854 483 HB2 GLN 60 1HB GLN 60 -4.404 9.128 5.131 484 HB3 GLN 60 2HB GLN 60 -5.760 10.066 4.536 485 HG2 GLN 60 1HG GLN 60 -4.542 12.131 4.988 486 HG3 GLN 60 2HG GLN 60 -3.188 11.198 5.623 487 HE21 GLN 60 2HE2 GLN 60 -1.812 10.188 4.192 488 HE22 GLN 60 1HE2 GLN 60 -1.863 10.466 2.498 489 H SER 61 H SER 61 -7.866 10.081 5.657 490 HA SER 61 HA SER 61 -8.844 7.874 7.217 491 HB2 SER 61 1HB SER 61 -10.283 9.846 6.659 492 HB3 SER 61 2HB SER 61 -10.130 9.421 4.954 493 HG SER 61 HG SER 61 -11.544 8.189 6.994 494 HA PRO 62 HA PRO 62 -7.854 4.541 4.353 495 HB2 PRO 62 1HB PRO 62 -10.715 3.767 4.754 496 HB3 PRO 62 2HB PRO 62 -9.262 2.764 4.864 497 HG2 PRO 62 1HG PRO 62 -10.466 3.574 7.076 498 HG3 PRO 62 2HG PRO 62 -8.696 3.595 6.965 499 HD2 PRO 62 1HD PRO 62 -10.627 5.869 6.801 500 HD3 PRO 62 2HD PRO 62 -9.016 5.796 7.544 501 H SER 63 H SER 63 -10.820 6.399 3.972 502 HA SER 63 HA SER 63 -11.663 5.701 1.453 503 HB2 SER 63 1HB SER 63 -11.738 8.392 2.787 504 HB3 SER 63 2HB SER 63 -12.823 7.836 1.502 505 HG SER 63 HG SER 63 -13.763 6.474 2.864 506 H VAL 64 H VAL 64 -9.316 8.267 2.355 507 HA VAL 64 HA VAL 64 -8.863 8.827 -0.436 508 HB VAL 64 HB VAL 64 -8.825 10.702 1.184 509 HG11 VAL 64 1HG1 VAL 64 -7.932 9.628 3.125 510 HG12 VAL 64 2HG1 VAL 64 -6.965 11.044 2.720 511 HG13 VAL 64 3HG1 VAL 64 -6.372 9.427 2.330 512 HG21 VAL 64 3HG2 VAL 64 -7.593 11.035 -0.864 513 HG22 VAL 64 1HG2 VAL 64 -6.166 10.264 -0.162 514 HG23 VAL 64 2HG2 VAL 64 -6.738 11.806 0.471 515 H LEU 65 H LEU 65 -7.484 6.956 2.059 516 HA LEU 65 HA LEU 65 -4.877 6.630 1.084 517 HB2 LEU 65 1HB LEU 65 -5.645 6.161 3.418 518 HB3 LEU 65 2HB LEU 65 -6.508 4.772 2.823 519 HG LEU 65 HG LEU 65 -4.346 4.317 4.057 520 HD11 LEU 65 1HD1 LEU 65 -3.579 2.540 2.571 521 HD12 LEU 65 2HD1 LEU 65 -4.556 3.215 1.268 522 HD13 LEU 65 3HD1 LEU 65 -5.335 2.579 2.717 523 HD21 LEU 65 3HD2 LEU 65 -2.260 4.553 2.828 524 HD22 LEU 65 1HD2 LEU 65 -3.018 6.119 3.114 525 HD23 LEU 65 2HD2 LEU 65 -3.112 5.368 1.519 526 H THR 66 H THR 66 -7.722 4.449 0.762 527 HA THR 66 HA THR 66 -6.319 2.604 -0.822 528 HB THR 66 HB THR 66 -8.384 1.945 0.371 529 HG1 THR 66 HG1 THR 66 -7.915 1.419 -2.267 530 HG21 THR 66 3HG2 THR 66 -10.610 2.533 -0.521 531 HG22 THR 66 1HG2 THR 66 -9.849 3.612 -1.691 532 HG23 THR 66 2HG2 THR 66 -9.741 3.963 0.034 533 H GLU 67 H GLU 67 -8.119 5.464 -1.652 534 HA GLU 67 HA GLU 67 -8.286 5.048 -4.412 535 HB2 GLU 67 1HB GLU 67 -8.392 7.463 -2.666 536 HB3 GLU 67 2HB GLU 67 -8.491 7.605 -4.416 537 HG2 GLU 67 1HG GLU 67 -10.314 5.860 -2.798 538 HG3 GLU 67 2HG GLU 67 -10.659 7.541 -3.207 539 H GLN 68 H GLN 68 -5.758 6.495 -2.406 540 HA GLN 68 HA GLN 68 -4.210 7.422 -4.544 541 HB2 GLN 68 1HB GLN 68 -3.582 6.713 -1.707 542 HB3 GLN 68 2HB GLN 68 -2.301 7.161 -2.819 543 HG2 GLN 68 1HG GLN 68 -4.676 8.869 -2.087 544 HG3 GLN 68 2HG GLN 68 -3.036 9.053 -1.465 545 HE21 GLN 68 2HE2 GLN 68 -5.115 9.509 -4.223 546 HE22 GLN 68 1HE2 GLN 68 -3.997 10.463 -5.135 547 H LEU 69 H LEU 69 -3.963 4.439 -2.651 548 HA LEU 69 HA LEU 69 -1.863 3.266 -4.041 549 HB2 LEU 69 1HB LEU 69 -4.131 2.125 -2.455 550 HB3 LEU 69 2HB LEU 69 -3.054 1.053 -3.312 551 HG LEU 69 HG LEU 69 -2.479 1.229 -0.953 552 HD11 LEU 69 1HD1 LEU 69 -0.401 2.454 -2.746 553 HD12 LEU 69 2HD1 LEU 69 -0.717 0.736 -2.519 554 HD13 LEU 69 3HD1 LEU 69 -0.101 1.704 -1.181 555 HD21 LEU 69 3HD2 LEU 69 -1.524 3.280 -0.010 556 HD22 LEU 69 1HD2 LEU 69 -3.205 3.515 -0.493 557 HD23 LEU 69 2HD2 LEU 69 -1.907 4.140 -1.504 558 H ILE 70 H ILE 70 -5.308 3.124 -4.736 559 HA ILE 70 HA ILE 70 -5.018 1.354 -6.932 560 HB ILE 70 HB ILE 70 -7.318 3.139 -6.095 561 HG12 ILE 70 1HG1 ILE 70 -6.913 0.150 -5.907 562 HG13 ILE 70 2HG1 ILE 70 -6.705 1.287 -4.583 563 HG21 ILE 70 1HG2 ILE 70 -8.722 1.852 -7.658 564 HG22 ILE 70 2HG2 ILE 70 -7.277 1.041 -8.274 565 HG23 ILE 70 3HG2 ILE 70 -7.477 2.778 -8.496 566 HD11 ILE 70 3HD1 ILE 70 -8.807 0.101 -4.472 567 HD12 ILE 70 1HD1 ILE 70 -9.280 0.739 -6.045 568 HD13 ILE 70 2HD1 ILE 70 -9.068 1.838 -4.680 569 H SER 71 H SER 71 -5.134 4.897 -6.682 570 HA SER 71 HA SER 71 -5.274 5.274 -9.473 571 HB2 SER 71 1HB SER 71 -4.637 7.632 -9.023 572 HB3 SER 71 2HB SER 71 -5.954 7.070 -8.005 573 HG SER 71 HG SER 71 -3.851 6.563 -6.571 574 H TRP 72 H TRP 72 -2.576 4.679 -7.346 575 HA TRP 72 HA TRP 72 -0.595 5.467 -9.286 576 HB2 TRP 72 1HB TRP 72 -0.269 3.754 -6.822 577 HB3 TRP 72 2HB TRP 72 1.033 4.471 -7.758 578 HD1 TRP 72 HD1 TRP 72 -0.418 7.434 -7.893 579 HE1 TRP 72 HE1 TRP 72 -0.332 8.872 -5.788 580 HE3 TRP 72 HE3 TRP 72 0.554 3.755 -4.491 581 HZ2 TRP 72 HZ2 TRP 72 0.119 8.480 -2.974 582 HZ3 TRP 72 HZ3 TRP 72 0.816 4.363 -2.126 583 HH2 TRP 72 HH2 TRP 72 0.611 6.663 -1.384 584 H GLY 73 H GLY 73 -2.559 2.735 -8.800 585 HA2 GLY 73 1HA GLY 73 -2.673 0.808 -10.070 586 HA3 GLY 73 2HA GLY 73 -1.173 1.273 -10.865 587 H VAL 74 H VAL 74 -1.100 1.413 -7.487 588 HA VAL 74 HA VAL 74 0.767 -0.796 -7.395 589 HB VAL 74 HB VAL 74 -0.190 1.051 -5.165 590 HG11 VAL 74 1HG1 VAL 74 1.715 0.209 -3.868 591 HG12 VAL 74 2HG1 VAL 74 2.104 -0.919 -5.166 592 HG13 VAL 74 3HG1 VAL 74 0.595 -1.095 -4.272 593 HG21 VAL 74 3HG2 VAL 74 2.413 1.041 -6.682 594 HG22 VAL 74 1HG2 VAL 74 1.977 2.137 -5.380 595 HG23 VAL 74 2HG2 VAL 74 1.106 2.198 -6.917 596 H LEU 75 H LEU 75 -2.457 0.015 -6.360 597 HA LEU 75 HA LEU 75 -2.837 -2.741 -5.426 598 HB2 LEU 75 1HB LEU 75 -3.086 -1.056 -3.651 599 HB3 LEU 75 2HB LEU 75 -4.285 -0.218 -4.614 600 HG LEU 75 HG LEU 75 -5.721 -2.259 -4.460 601 HD11 LEU 75 1HD1 LEU 75 -5.233 -3.890 -2.715 602 HD12 LEU 75 2HD1 LEU 75 -3.670 -3.127 -2.427 603 HD13 LEU 75 3HD1 LEU 75 -4.003 -3.904 -3.977 604 HD21 LEU 75 3HD2 LEU 75 -4.935 -0.934 -1.869 605 HD22 LEU 75 1HD2 LEU 75 -6.433 -1.822 -2.150 606 HD23 LEU 75 2HD2 LEU 75 -6.110 -0.331 -3.035 607 H ASP 76 H ASP 76 -4.630 -3.800 -6.213 608 HA ASP 76 HA ASP 76 -5.625 -3.030 -8.755 609 HB2 ASP 76 1HB ASP 76 -5.423 -5.399 -8.157 610 HB3 ASP 76 2HB ASP 76 -6.604 -5.193 -6.869 611 H ALA 77 H ALA 77 -7.607 -2.342 -9.361 612 HA ALA 77 HA ALA 77 -8.846 -0.391 -7.844 613 HB1 ALA 77 3HB ALA 77 -9.979 -1.807 -10.240 614 HB2 ALA 77 1HB ALA 77 -8.851 -0.453 -10.285 615 HB3 ALA 77 2HB ALA 77 -10.471 -0.233 -9.618 616 H ASP 78 H ASP 78 -9.725 -3.785 -8.119 617 HA ASP 78 HA ASP 78 -12.302 -3.338 -6.887 618 HB2 ASP 78 1HB ASP 78 -10.946 -5.778 -7.966 619 HB3 ASP 78 2HB ASP 78 -12.368 -5.928 -6.939 620 H ALA 79 H ALA 79 -9.179 -4.022 -5.863 621 HA ALA 79 HA ALA 79 -9.620 -5.587 -3.578 622 HB1 ALA 79 3HB ALA 79 -7.395 -5.208 -4.537 623 HB2 ALA 79 1HB ALA 79 -7.432 -4.858 -2.809 624 HB3 ALA 79 2HB ALA 79 -7.449 -3.536 -3.977 625 H ARG 80 H ARG 80 -10.163 -2.293 -4.144 626 HA ARG 80 HA ARG 80 -10.248 -1.033 -1.698 627 HB2 ARG 80 1HB ARG 80 -11.982 0.408 -2.639 628 HB3 ARG 80 2HB ARG 80 -10.698 0.108 -3.798 629 HG2 ARG 80 1HG ARG 80 -12.147 -1.662 -4.819 630 HG3 ARG 80 2HG ARG 80 -13.445 -1.124 -3.756 631 HD2 ARG 80 1HD ARG 80 -11.960 0.592 -5.697 632 HD3 ARG 80 2HD ARG 80 -13.489 -0.165 -6.063 633 HE ARG 80 HE ARG 80 -14.423 1.198 -4.215 634 HH11 ARG 80 1HH1 ARG 80 -11.323 2.181 -5.625 635 HH12 ARG 80 2HH1 ARG 80 -11.464 3.821 -5.256 636 HH21 ARG 80 1HH2 ARG 80 -14.673 3.515 -3.746 637 HH22 ARG 80 2HH2 ARG 80 -13.434 4.608 -4.155 638 H ARG 81 H ARG 81 -12.486 -3.429 -2.965 639 HA ARG 81 HA ARG 81 -14.634 -2.833 -1.210 640 HB2 ARG 81 1HB ARG 81 -14.058 -5.367 -2.750 641 HB3 ARG 81 2HB ARG 81 -15.570 -5.009 -1.933 642 HG2 ARG 81 1HG ARG 81 -15.864 -3.050 -3.413 643 HG3 ARG 81 2HG ARG 81 -14.387 -3.504 -4.259 644 HD2 ARG 81 1HD ARG 81 -16.317 -4.305 -5.494 645 HD3 ARG 81 2HD ARG 81 -15.412 -5.666 -4.834 646 HE ARG 81 HE ARG 81 -17.553 -4.775 -3.149 647 HH11 ARG 81 1HH1 ARG 81 -16.766 -6.873 -5.881 648 HH12 ARG 81 2HH1 ARG 81 -18.060 -7.944 -5.642 649 HH21 ARG 81 1HH2 ARG 81 -19.364 -6.224 -2.811 650 HH22 ARG 81 2HH2 ARG 81 -19.581 -7.556 -3.847 651 H ALA 82 H ALA 82 -11.770 -4.699 -0.901 652 HA ALA 82 HA ALA 82 -12.737 -6.195 1.371 653 HB1 ALA 82 3HB ALA 82 -9.954 -5.963 0.227 654 HB2 ALA 82 1HB ALA 82 -11.129 -7.215 -0.172 655 HB3 ALA 82 2HB ALA 82 -10.470 -7.112 1.462 656 H VAL 83 H VAL 83 -10.516 -3.522 0.738 657 HA VAL 83 HA VAL 83 -9.859 -3.233 3.510 658 HB VAL 83 HB VAL 83 -8.240 -2.654 1.725 659 HG11 VAL 83 1HG1 VAL 83 -8.408 -0.545 0.509 660 HG12 VAL 83 2HG1 VAL 83 -10.038 -0.327 1.158 661 HG13 VAL 83 3HG1 VAL 83 -9.680 -1.697 0.105 662 HG21 VAL 83 3HG2 VAL 83 -7.390 -0.534 2.709 663 HG22 VAL 83 1HG2 VAL 83 -7.851 -1.728 3.928 664 HG23 VAL 83 2HG2 VAL 83 -8.916 -0.369 3.577 665 H ALA 84 H ALA 84 -12.410 -2.145 1.567 666 HA ALA 84 HA ALA 84 -13.204 0.189 2.879 667 HB1 ALA 84 3HB ALA 84 -15.447 -0.297 2.026 668 HB2 ALA 84 1HB ALA 84 -14.943 -1.940 1.637 669 HB3 ALA 84 2HB ALA 84 -14.223 -0.578 0.785 670 H SER 85 H SER 85 -13.290 0.289 4.960 671 HA SER 85 HA SER 85 -14.196 -1.973 6.553 672 HB2 SER 85 1HB SER 85 -12.845 0.604 7.355 673 HB3 SER 85 2HB SER 85 -13.038 -0.835 8.359 674 HG SER 85 HG SER 85 -11.750 -1.022 5.870 675 H HIS 86 H HIS 86 -15.265 -1.012 8.696 676 HA HIS 86 HA HIS 86 -17.761 0.078 8.072 677 HB2 HIS 86 1HB HIS 86 -16.255 -0.046 10.683 678 HB3 HIS 86 2HB HIS 86 -17.915 0.520 10.560 679 HD1 HIS 86 HD1 HIS 86 -15.866 -2.607 10.689 680 HD2 HIS 86 HD2 HIS 86 -19.802 -1.480 9.945 681 HE1 HIS 86 HE1 HIS 86 -17.237 -4.690 10.854 682 H ASP 87 H ASP 87 -18.598 2.121 8.305 683 HA ASP 87 HA ASP 87 -16.746 4.200 7.712 684 HB2 ASP 87 1HB ASP 87 -19.738 4.220 7.998 685 HB3 ASP 87 2HB ASP 87 -18.804 5.681 7.689 686 H GLU 88 H GLU 88 -15.550 4.936 9.172 687 HA GLU 88 HA GLU 88 -16.711 5.763 11.733 688 HB2 GLU 88 1HB GLU 88 -13.866 4.951 11.086 689 HB3 GLU 88 2HB GLU 88 -14.470 5.457 12.660 690 HG2 GLU 88 1HG GLU 88 -15.898 3.483 12.752 691 HG3 GLU 88 2HG GLU 88 -15.321 2.989 11.165 692 H LEU 89 H LEU 89 -15.828 7.823 12.504 693 HA LEU 89 HA LEU 89 -15.013 9.489 10.265 694 HB2 LEU 89 1HB LEU 89 -17.008 10.022 11.870 695 HB3 LEU 89 2HB LEU 89 -15.776 10.433 13.033 696 HG LEU 89 HG LEU 89 -16.695 12.428 12.006 697 HD11 LEU 89 1HD1 LEU 89 -14.377 12.568 12.655 698 HD12 LEU 89 2HD1 LEU 89 -14.686 13.545 11.217 699 HD13 LEU 89 3HD1 LEU 89 -13.880 11.985 11.068 700 HD21 LEU 89 3HD2 LEU 89 -16.414 12.916 9.637 701 HD22 LEU 89 1HD2 LEU 89 -17.417 11.493 9.899 702 HD23 LEU 89 2HD2 LEU 89 -15.742 11.307 9.384 Start of MODEL 17 1 H1 MET 1 1H MET 1 -15.966 -20.431 -3.773 2 H2 MET 1 2H MET 1 -15.714 -18.922 -4.515 3 H3 MET 1 3H MET 1 -16.113 -19.026 -2.885 4 HA MET 1 HA MET 1 -14.060 -19.988 -2.308 5 HB2 MET 1 1HB MET 1 -13.881 -21.365 -4.392 6 HB3 MET 1 2HB MET 1 -13.448 -19.919 -5.287 7 HG2 MET 1 1HG MET 1 -11.474 -21.257 -4.801 8 HG3 MET 1 2HG MET 1 -11.411 -19.713 -3.963 9 HE1 MET 1 3HE MET 1 -9.553 -22.200 -3.259 10 HE2 MET 1 1HE MET 1 -9.602 -22.167 -1.498 11 HE3 MET 1 2HE MET 1 -9.465 -20.661 -2.407 12 H GLU 2 H GLU 2 -15.382 -17.287 -3.168 13 HA GLU 2 HA GLU 2 -13.177 -15.678 -3.996 14 HB2 GLU 2 1HB GLU 2 -16.019 -14.949 -3.228 15 HB3 GLU 2 2HB GLU 2 -14.841 -13.831 -3.890 16 HG2 GLU 2 1HG GLU 2 -16.309 -14.436 -5.666 17 HG3 GLU 2 2HG GLU 2 -14.785 -15.258 -5.961 18 HA PRO 3 HA PRO 3 -12.205 -15.143 0.341 19 HB2 PRO 3 1HB PRO 3 -9.674 -14.401 0.044 20 HB3 PRO 3 2HB PRO 3 -10.171 -16.038 -0.403 21 HG2 PRO 3 1HG PRO 3 -9.656 -13.677 -2.164 22 HG3 PRO 3 2HG PRO 3 -9.211 -15.374 -2.406 23 HD2 PRO 3 1HD PRO 3 -11.435 -14.127 -3.517 24 HD3 PRO 3 2HD PRO 3 -11.213 -15.880 -3.335 25 HA PRO 4 HA PRO 4 -12.488 -10.709 1.152 26 HB2 PRO 4 1HB PRO 4 -10.118 -10.904 2.921 27 HB3 PRO 4 2HB PRO 4 -11.755 -10.385 3.324 28 HG2 PRO 4 1HG PRO 4 -10.741 -12.743 4.147 29 HG3 PRO 4 2HG PRO 4 -12.457 -12.529 3.782 30 HD2 PRO 4 1HD PRO 4 -10.334 -13.869 2.191 31 HD3 PRO 4 2HD PRO 4 -12.064 -14.245 2.323 32 HA PRO 5 HA PRO 5 -9.959 -9.366 -2.254 33 HB2 PRO 5 1HB PRO 5 -9.897 -6.933 -0.510 34 HB3 PRO 5 2HB PRO 5 -10.093 -7.042 -2.268 35 HG2 PRO 5 1HG PRO 5 -12.208 -6.744 -0.656 36 HG3 PRO 5 2HG PRO 5 -12.286 -7.735 -2.121 37 HD2 PRO 5 1HD PRO 5 -12.351 -8.576 0.692 38 HD3 PRO 5 2HD PRO 5 -12.822 -9.478 -0.760 39 H LYS 6 H LYS 6 -8.041 -10.325 -2.307 40 HA LYS 6 HA LYS 6 -6.093 -9.968 -0.251 41 HB2 LYS 6 1HB LYS 6 -6.264 -12.075 -1.639 42 HB3 LYS 6 2HB LYS 6 -5.697 -11.148 -3.015 43 HG2 LYS 6 1HG LYS 6 -3.846 -12.399 -2.088 44 HG3 LYS 6 2HG LYS 6 -3.587 -10.678 -1.833 45 HD2 LYS 6 1HD LYS 6 -2.968 -11.897 0.170 46 HD3 LYS 6 2HD LYS 6 -4.396 -10.920 0.502 47 HE2 LYS 6 1HE LYS 6 -4.654 -13.111 1.506 48 HE3 LYS 6 2HE LYS 6 -5.802 -12.952 0.184 49 HZ1 LYS 6 3HZ LYS 6 -4.213 -14.235 -1.218 50 HZ2 LYS 6 1HZ LYS 6 -4.731 -15.108 0.132 51 HZ3 LYS 6 2HZ LYS 6 -3.215 -14.397 0.109 52 H LEU 7 H LEU 7 -4.961 -8.224 -0.061 53 HA LEU 7 HA LEU 7 -4.922 -6.298 -2.188 54 HB2 LEU 7 1HB LEU 7 -3.793 -6.201 0.592 55 HB3 LEU 7 2HB LEU 7 -3.970 -4.839 -0.499 56 HG LEU 7 HG LEU 7 -6.271 -6.432 0.640 57 HD11 LEU 7 1HD1 LEU 7 -5.120 -5.206 2.378 58 HD12 LEU 7 2HD1 LEU 7 -6.673 -4.449 2.005 59 HD13 LEU 7 3HD1 LEU 7 -5.171 -3.752 1.385 60 HD21 LEU 7 3HD2 LEU 7 -6.807 -5.431 -1.492 61 HD22 LEU 7 1HD2 LEU 7 -6.170 -3.874 -0.947 62 HD23 LEU 7 2HD2 LEU 7 -7.606 -4.550 -0.188 63 H VAL 8 H VAL 8 -3.519 -7.043 -3.699 64 HA VAL 8 HA VAL 8 -0.774 -7.586 -2.860 65 HB VAL 8 HB VAL 8 -2.005 -7.840 -5.628 66 HG11 VAL 8 1HG1 VAL 8 0.409 -7.527 -5.685 67 HG12 VAL 8 2HG1 VAL 8 -0.008 -9.176 -6.155 68 HG13 VAL 8 3HG1 VAL 8 0.624 -8.853 -4.544 69 HG21 VAL 8 3HG2 VAL 8 -3.058 -9.427 -4.095 70 HG22 VAL 8 1HG2 VAL 8 -1.472 -10.003 -3.582 71 HG23 VAL 8 2HG2 VAL 8 -2.013 -10.274 -5.237 72 H LEU 9 H LEU 9 0.425 -5.856 -2.727 73 HA LEU 9 HA LEU 9 -0.127 -3.555 -4.438 74 HB2 LEU 9 1HB LEU 9 1.510 -3.838 -1.918 75 HB3 LEU 9 2HB LEU 9 1.548 -2.403 -2.911 76 HG LEU 9 HG LEU 9 -0.898 -2.086 -2.437 77 HD11 LEU 9 1HD1 LEU 9 -1.507 -4.362 -1.868 78 HD12 LEU 9 2HD1 LEU 9 -1.888 -3.258 -0.548 79 HD13 LEU 9 3HD1 LEU 9 -0.467 -4.297 -0.447 80 HD21 LEU 9 3HD2 LEU 9 0.785 -0.859 -1.217 81 HD22 LEU 9 1HD2 LEU 9 0.944 -2.183 -0.061 82 HD23 LEU 9 2HD2 LEU 9 -0.564 -1.277 -0.160 83 H ASP 10 H ASP 10 1.163 -3.056 -6.007 84 HA ASP 10 HA ASP 10 3.462 -4.724 -6.559 85 HB2 ASP 10 1HB ASP 10 1.767 -3.983 -8.307 86 HB3 ASP 10 2HB ASP 10 2.441 -2.372 -8.147 87 H LEU 11 H LEU 11 5.287 -4.215 -5.530 88 HA LEU 11 HA LEU 11 5.773 -1.567 -4.448 89 HB2 LEU 11 1HB LEU 11 7.612 -3.955 -4.529 90 HB3 LEU 11 2HB LEU 11 7.798 -2.534 -3.524 91 HG LEU 11 HG LEU 11 5.685 -4.678 -3.270 92 HD11 LEU 11 1HD1 LEU 11 6.738 -5.084 -1.093 93 HD12 LEU 11 2HD1 LEU 11 7.961 -3.879 -1.481 94 HD13 LEU 11 3HD1 LEU 11 7.839 -5.353 -2.443 95 HD21 LEU 11 3HD2 LEU 11 4.936 -3.471 -1.256 96 HD22 LEU 11 1HD2 LEU 11 4.683 -2.534 -2.727 97 HD23 LEU 11 2HD2 LEU 11 6.034 -2.147 -1.659 98 H GLU 12 H GLU 12 6.471 -3.137 -7.355 99 HA GLU 12 HA GLU 12 8.858 -1.714 -8.038 100 HB2 GLU 12 1HB GLU 12 6.822 -3.103 -9.785 101 HB3 GLU 12 2HB GLU 12 8.424 -2.584 -10.295 102 HG2 GLU 12 1HG GLU 12 7.914 -4.600 -8.128 103 HG3 GLU 12 2HG GLU 12 8.220 -5.009 -9.815 104 H ARG 13 H ARG 13 5.433 -1.461 -8.752 105 HA ARG 13 HA ARG 13 5.460 0.887 -10.286 106 HB2 ARG 13 1HB ARG 13 3.479 -0.590 -10.039 107 HB3 ARG 13 2HB ARG 13 3.322 -0.078 -8.368 108 HG2 ARG 13 1HG ARG 13 1.705 1.079 -9.723 109 HG3 ARG 13 2HG ARG 13 2.909 2.228 -9.140 110 HD2 ARG 13 1HD ARG 13 4.068 2.073 -11.313 111 HD3 ARG 13 2HD ARG 13 2.811 0.971 -11.881 112 HE ARG 13 HE ARG 13 1.576 3.287 -10.967 113 HH11 ARG 13 1HH1 ARG 13 3.698 2.282 -13.630 114 HH12 ARG 13 2HH1 ARG 13 3.232 3.529 -14.674 115 HH21 ARG 13 1HH2 ARG 13 0.928 5.008 -12.402 116 HH22 ARG 13 2HH2 ARG 13 1.616 5.106 -13.961 117 H LEU 14 H LEU 14 5.578 0.324 -6.865 118 HA LEU 14 HA LEU 14 5.125 2.973 -6.003 119 HB2 LEU 14 1HB LEU 14 6.319 0.563 -4.732 120 HB3 LEU 14 2HB LEU 14 6.208 2.041 -3.840 121 HG LEU 14 HG LEU 14 3.950 0.370 -4.919 122 HD11 LEU 14 1HD1 LEU 14 3.383 0.122 -2.566 123 HD12 LEU 14 2HD1 LEU 14 4.769 1.121 -2.129 124 HD13 LEU 14 3HD1 LEU 14 5.023 -0.449 -2.882 125 HD21 LEU 14 3HD2 LEU 14 2.445 1.990 -3.802 126 HD22 LEU 14 1HD2 LEU 14 3.310 2.708 -5.160 127 HD23 LEU 14 2HD2 LEU 14 3.824 3.037 -3.507 128 H ALA 15 H ALA 15 7.824 1.567 -7.487 129 HA ALA 15 HA ALA 15 9.747 3.328 -6.282 130 HB1 ALA 15 3HB ALA 15 9.947 1.595 -8.744 131 HB2 ALA 15 1HB ALA 15 10.447 1.142 -7.117 132 HB3 ALA 15 2HB ALA 15 11.287 2.440 -7.973 133 H THR 16 H THR 16 7.642 3.317 -9.056 134 HA THR 16 HA THR 16 8.914 5.661 -10.163 135 HB THR 16 HB THR 16 6.929 5.430 -11.840 136 HG1 THR 16 HG1 THR 16 5.922 3.783 -10.320 137 HG21 THR 16 3HG2 THR 16 8.193 3.742 -13.104 138 HG22 THR 16 1HG2 THR 16 9.090 3.321 -11.645 139 HG23 THR 16 2HG2 THR 16 9.275 4.921 -12.360 140 H VAL 17 H VAL 17 6.619 5.034 -7.878 141 HA VAL 17 HA VAL 17 5.164 7.535 -8.220 142 HB VAL 17 HB VAL 17 4.953 5.373 -6.068 143 HG11 VAL 17 1HG1 VAL 17 3.129 7.721 -6.595 144 HG12 VAL 17 2HG1 VAL 17 4.230 7.554 -5.231 145 HG13 VAL 17 3HG1 VAL 17 2.861 6.455 -5.397 146 HG21 VAL 17 3HG2 VAL 17 2.860 4.733 -7.145 147 HG22 VAL 17 1HG2 VAL 17 4.225 4.565 -8.248 148 HG23 VAL 17 2HG2 VAL 17 3.129 5.941 -8.403 149 HA PRO 18 HA PRO 18 8.245 9.874 -5.953 150 HB2 PRO 18 1HB PRO 18 5.763 11.041 -4.760 151 HB3 PRO 18 2HB PRO 18 7.211 11.866 -5.347 152 HG2 PRO 18 1HG PRO 18 5.052 11.804 -6.859 153 HG3 PRO 18 2HG PRO 18 6.650 11.550 -7.580 154 HD2 PRO 18 1HD PRO 18 4.492 9.574 -7.028 155 HD3 PRO 18 2HD PRO 18 5.702 9.602 -8.330 156 H ALA 19 H ALA 19 9.260 9.735 -4.062 157 HA ALA 19 HA ALA 19 8.622 7.704 -2.220 158 HB1 ALA 19 3HB ALA 19 10.618 8.427 -1.021 159 HB2 ALA 19 1HB ALA 19 10.657 9.912 -1.969 160 HB3 ALA 19 2HB ALA 19 10.921 8.354 -2.756 161 H GLU 20 H GLU 20 7.738 10.970 -2.344 162 HA GLU 20 HA GLU 20 7.206 11.275 0.435 163 HB2 GLU 20 1HB GLU 20 6.245 12.842 -1.952 164 HB3 GLU 20 2HB GLU 20 5.917 13.290 -0.281 165 HG2 GLU 20 1HG GLU 20 8.641 13.023 -1.532 166 HG3 GLU 20 2HG GLU 20 7.811 14.536 -1.171 167 H LYS 21 H LYS 21 5.665 9.561 -1.998 168 HA LYS 21 HA LYS 21 3.129 9.488 -0.488 169 HB2 LYS 21 1HB LYS 21 3.556 8.472 -3.304 170 HB3 LYS 21 2HB LYS 21 2.044 8.708 -2.470 171 HG2 LYS 21 1HG LYS 21 2.365 11.131 -2.559 172 HG3 LYS 21 2HG LYS 21 3.888 10.885 -3.420 173 HD2 LYS 21 1HD LYS 21 2.592 9.611 -5.156 174 HD3 LYS 21 2HD LYS 21 1.117 10.127 -4.344 175 HE2 LYS 21 1HE LYS 21 3.213 11.920 -5.547 176 HE3 LYS 21 2HE LYS 21 1.651 11.552 -6.266 177 HZ1 LYS 21 3HZ LYS 21 0.585 12.653 -4.378 178 HZ2 LYS 21 1HZ LYS 21 1.653 13.697 -5.159 179 HZ3 LYS 21 2HZ LYS 21 2.075 12.981 -3.696 180 H ALA 22 H ALA 22 5.387 7.503 -2.401 181 HA ALA 22 HA ALA 22 4.301 5.053 -1.249 182 HB1 ALA 22 3HB ALA 22 4.503 5.200 -3.642 183 HB2 ALA 22 1HB ALA 22 5.578 3.956 -3.005 184 HB3 ALA 22 2HB ALA 22 6.231 5.520 -3.498 185 H GLY 23 H GLY 23 6.816 7.120 -0.562 186 HA2 GLY 23 1HA GLY 23 9.032 5.441 -0.159 187 HA3 GLY 23 2HA GLY 23 8.756 6.975 0.649 188 HA PRO 24 HA PRO 24 7.934 4.976 4.503 189 HB2 PRO 24 1HB PRO 24 5.130 5.778 4.744 190 HB3 PRO 24 2HB PRO 24 6.494 6.215 5.759 191 HG2 PRO 24 1HG PRO 24 5.383 8.026 4.103 192 HG3 PRO 24 2HG PRO 24 7.122 7.997 4.443 193 HD2 PRO 24 1HD PRO 24 5.646 7.013 2.039 194 HD3 PRO 24 2HD PRO 24 7.203 7.863 2.135 195 H LEU 25 H LEU 25 5.560 4.462 2.046 196 HA LEU 25 HA LEU 25 4.304 2.207 3.202 197 HB2 LEU 25 1HB LEU 25 3.475 3.720 1.326 198 HB3 LEU 25 2HB LEU 25 4.530 2.863 0.245 199 HG LEU 25 HG LEU 25 2.147 1.734 1.736 200 HD11 LEU 25 1HD1 LEU 25 1.497 3.213 -0.034 201 HD12 LEU 25 2HD1 LEU 25 1.148 1.541 -0.483 202 HD13 LEU 25 3HD1 LEU 25 2.546 2.364 -1.169 203 HD21 LEU 25 3HD2 LEU 25 3.830 -0.021 1.414 204 HD22 LEU 25 1HD2 LEU 25 3.908 0.363 -0.305 205 HD23 LEU 25 2HD2 LEU 25 2.426 -0.298 0.386 206 H GLN 26 H GLN 26 6.917 2.675 0.791 207 HA GLN 26 HA GLN 26 7.540 -0.057 0.562 208 HB2 GLN 26 1HB GLN 26 9.154 2.403 -0.037 209 HB3 GLN 26 2HB GLN 26 9.833 0.795 -0.196 210 HG2 GLN 26 1HG GLN 26 8.044 0.249 -1.828 211 HG3 GLN 26 2HG GLN 26 7.485 1.919 -1.711 212 HE21 GLN 26 2HE2 GLN 26 8.664 0.371 -4.011 213 HE22 GLN 26 1HE2 GLN 26 10.007 1.311 -4.508 214 H ARG 27 H ARG 27 8.537 2.366 2.843 215 HA ARG 27 HA ARG 27 10.638 0.956 4.116 216 HB2 ARG 27 1HB ARG 27 8.589 2.687 5.493 217 HB3 ARG 27 2HB ARG 27 10.176 2.264 6.112 218 HG2 ARG 27 1HG ARG 27 9.580 3.990 3.722 219 HG3 ARG 27 2HG ARG 27 10.127 4.545 5.304 220 HD2 ARG 27 1HD ARG 27 12.242 3.401 4.982 221 HD3 ARG 27 2HD ARG 27 11.651 2.738 3.452 222 HE ARG 27 HE ARG 27 11.451 5.552 3.528 223 HH11 ARG 27 1HH1 ARG 27 13.839 2.992 3.030 224 HH12 ARG 27 2HH1 ARG 27 14.770 3.918 1.934 225 HH21 ARG 27 1HH2 ARG 27 12.699 6.776 2.073 226 HH22 ARG 27 2HH2 ARG 27 14.115 6.103 1.375 227 H TYR 28 H TYR 28 7.206 1.128 4.833 228 HA TYR 28 HA TYR 28 6.988 -0.783 6.839 229 HB2 TYR 28 1HB TYR 28 5.187 0.788 6.138 230 HB3 TYR 28 2HB TYR 28 4.990 -0.124 4.654 231 HD1 TYR 28 HD1 TYR 28 3.946 -2.392 4.727 232 HD2 TYR 28 HD2 TYR 28 4.233 0.047 8.195 233 HE1 TYR 28 HE1 TYR 28 2.246 -3.779 5.839 234 HE2 TYR 28 HE2 TYR 28 2.545 -1.338 9.318 235 HH TYR 28 HH TYR 28 1.577 -4.334 8.107 236 H ALA 29 H ALA 29 6.671 -1.138 3.337 237 HA ALA 29 HA ALA 29 6.171 -3.870 3.183 238 HB1 ALA 29 3HB ALA 29 6.938 -3.725 0.874 239 HB2 ALA 29 1HB ALA 29 7.701 -2.176 1.215 240 HB3 ALA 29 2HB ALA 29 5.944 -2.327 1.287 241 H ALA 30 H ALA 30 9.295 -2.178 2.979 242 HA ALA 30 HA ALA 30 10.947 -4.402 2.695 243 HB1 ALA 30 3HB ALA 30 12.744 -2.938 3.478 244 HB2 ALA 30 1HB ALA 30 11.550 -1.782 4.069 245 HB3 ALA 30 2HB ALA 30 11.694 -2.093 2.340 246 H THR 31 H THR 31 9.728 -2.775 5.544 247 HA THR 31 HA THR 31 11.111 -4.235 7.475 248 HB THR 31 HB THR 31 8.392 -2.899 7.700 249 HG1 THR 31 HG1 THR 31 9.831 -1.340 7.139 250 HG21 THR 31 3HG2 THR 31 8.844 -4.414 9.589 251 HG22 THR 31 1HG2 THR 31 8.933 -2.730 10.106 252 HG23 THR 31 2HG2 THR 31 10.414 -3.647 9.834 253 H ILE 32 H ILE 32 7.881 -4.791 6.031 254 HA ILE 32 HA ILE 32 7.237 -7.057 7.559 255 HB ILE 32 HB ILE 32 6.364 -6.407 4.723 256 HG12 ILE 32 1HG1 ILE 32 5.735 -4.642 6.270 257 HG13 ILE 32 2HG1 ILE 32 4.305 -5.539 5.785 258 HG21 ILE 32 1HG2 ILE 32 5.980 -8.762 5.187 259 HG22 ILE 32 2HG2 ILE 32 4.447 -7.892 5.126 260 HG23 ILE 32 3HG2 ILE 32 5.135 -8.350 6.682 261 HD11 ILE 32 3HD1 ILE 32 5.765 -5.778 8.410 262 HD12 ILE 32 1HD1 ILE 32 4.378 -6.757 7.922 263 HD13 ILE 32 2HD1 ILE 32 4.199 -5.019 8.126 264 H GLN 33 H GLN 33 8.866 -6.792 4.437 265 HA GLN 33 HA GLN 33 9.275 -9.495 3.882 266 HB2 GLN 33 1HB GLN 33 11.172 -7.218 3.309 267 HB3 GLN 33 2HB GLN 33 11.197 -8.798 2.553 268 HG2 GLN 33 1HG GLN 33 9.042 -8.350 1.516 269 HG3 GLN 33 2HG GLN 33 8.985 -6.773 2.307 270 HE21 GLN 33 2HE2 GLN 33 11.928 -8.182 1.004 271 HE22 GLN 33 1HE2 GLN 33 12.104 -7.067 -0.285 272 H SER 34 H SER 34 11.435 -7.212 5.536 273 HA SER 34 HA SER 34 13.387 -9.158 6.101 274 HB2 SER 34 1HB SER 34 14.335 -7.325 7.613 275 HB3 SER 34 2HB SER 34 14.194 -6.970 5.891 276 HG SER 34 HG SER 34 12.490 -5.689 6.276 277 H GLN 35 H GLN 35 10.647 -8.019 7.990 278 HA GLN 35 HA GLN 35 11.490 -9.179 10.421 279 HB2 GLN 35 1HB GLN 35 8.700 -8.535 9.463 280 HB3 GLN 35 2HB GLN 35 9.047 -9.161 11.069 281 HG2 GLN 35 1HG GLN 35 10.024 -6.558 9.911 282 HG3 GLN 35 2HG GLN 35 8.765 -6.754 11.127 283 HE21 GLN 35 2HE2 GLN 35 11.260 -5.276 11.254 284 HE22 GLN 35 1HE2 GLN 35 12.128 -5.919 12.602 285 H ARG 36 H ARG 36 9.575 -10.514 7.773 286 HA ARG 36 HA ARG 36 9.546 -13.050 9.189 287 HB2 ARG 36 1HB ARG 36 8.244 -13.942 7.291 288 HB3 ARG 36 2HB ARG 36 7.504 -12.557 8.070 289 HG2 ARG 36 1HG ARG 36 8.281 -11.136 6.276 290 HG3 ARG 36 2HG ARG 36 9.024 -12.536 5.497 291 HD2 ARG 36 1HD ARG 36 6.091 -12.244 6.123 292 HD3 ARG 36 2HD ARG 36 6.887 -11.973 4.568 293 HE ARG 36 HE ARG 36 7.192 -14.604 5.803 294 HH11 ARG 36 1HH1 ARG 36 5.356 -12.725 3.430 295 HH12 ARG 36 2HH1 ARG 36 5.152 -14.057 2.380 296 HH21 ARG 36 1HH2 ARG 36 6.819 -16.402 4.403 297 HH22 ARG 36 2HH2 ARG 36 5.970 -16.166 2.945 298 H GLY 37 H GLY 37 11.525 -11.436 7.121 299 HA2 GLY 37 1HA GLY 37 13.552 -11.941 6.251 300 HA3 GLY 37 2HA GLY 37 13.470 -13.485 7.084 301 H ASP 38 H ASP 38 11.121 -12.378 4.736 302 HA ASP 38 HA ASP 38 11.881 -14.751 3.182 303 HB2 ASP 38 1HB ASP 38 9.442 -14.403 4.037 304 HB3 ASP 38 2HB ASP 38 9.309 -13.226 2.734 305 H TYR 39 H TYR 39 10.763 -14.004 0.687 306 HA TYR 39 HA TYR 39 12.757 -11.982 -0.091 307 HB2 TYR 39 1HB TYR 39 12.097 -14.568 -1.534 308 HB3 TYR 39 2HB TYR 39 13.264 -13.368 -2.061 309 HD1 TYR 39 HD2 TYR 39 12.533 -15.883 0.559 310 HD2 TYR 39 HD1 TYR 39 15.499 -13.392 -1.205 311 HE1 TYR 39 HE2 TYR 39 14.262 -17.039 1.852 312 HE2 TYR 39 HE1 TYR 39 17.237 -14.553 0.094 313 HH TYR 39 HH TYR 39 16.575 -17.454 1.830 314 H ASN 40 H ASN 40 12.304 -11.521 -2.549 315 HA ASN 40 HA ASN 40 11.016 -10.746 -4.217 316 HB2 ASN 40 1HB ASN 40 9.774 -12.824 -4.291 317 HB3 ASN 40 2HB ASN 40 8.794 -12.339 -2.919 318 HD21 ASN 40 2HD2 ASN 40 6.931 -12.639 -4.040 319 HD22 ASN 40 1HD2 ASN 40 6.370 -11.603 -5.292 320 H GLY 41 H GLY 41 11.338 -8.706 -3.676 321 HA2 GLY 41 1HA GLY 41 9.260 -7.392 -2.081 322 HA3 GLY 41 2HA GLY 41 10.853 -6.729 -2.429 323 H LYS 42 H LYS 42 8.915 -8.299 -4.809 324 HA LYS 42 HA LYS 42 8.806 -5.782 -6.299 325 HB2 LYS 42 1HB LYS 42 8.152 -8.586 -7.240 326 HB3 LYS 42 2HB LYS 42 8.279 -7.157 -8.254 327 HG2 LYS 42 1HG LYS 42 10.654 -6.966 -7.733 328 HG3 LYS 42 2HG LYS 42 10.543 -8.362 -6.663 329 HD2 LYS 42 1HD LYS 42 11.461 -9.147 -8.714 330 HD3 LYS 42 2HD LYS 42 9.790 -9.694 -8.667 331 HE2 LYS 42 1HE LYS 42 10.319 -8.888 -10.878 332 HE3 LYS 42 2HE LYS 42 9.166 -7.785 -10.131 333 HZ1 LYS 42 3HZ LYS 42 11.046 -6.739 -11.353 334 HZ2 LYS 42 1HZ LYS 42 12.101 -7.309 -10.201 335 HZ3 LYS 42 2HZ LYS 42 10.920 -6.165 -9.800 336 H VAL 43 H VAL 43 6.793 -8.128 -4.722 337 HA VAL 43 HA VAL 43 4.515 -6.366 -4.927 338 HB VAL 43 HB VAL 43 2.953 -8.335 -5.288 339 HG11 VAL 43 1HG1 VAL 43 3.177 -8.412 -7.706 340 HG12 VAL 43 2HG1 VAL 43 4.795 -7.724 -7.581 341 HG13 VAL 43 3HG1 VAL 43 3.390 -6.771 -7.096 342 HG21 VAL 43 3HG2 VAL 43 3.841 -10.345 -6.408 343 HG22 VAL 43 1HG2 VAL 43 4.482 -10.162 -4.773 344 HG23 VAL 43 2HG2 VAL 43 5.480 -9.742 -6.165 345 H LEU 44 H LEU 44 3.308 -6.363 -3.118 346 HA LEU 44 HA LEU 44 4.058 -8.268 -0.992 347 HB2 LEU 44 1HB LEU 44 4.966 -5.956 -0.667 348 HB3 LEU 44 2HB LEU 44 3.321 -5.360 -0.639 349 HG LEU 44 HG LEU 44 2.939 -6.867 1.358 350 HD11 LEU 44 1HD1 LEU 44 4.817 -8.367 1.048 351 HD12 LEU 44 2HD1 LEU 44 4.903 -7.570 2.616 352 HD13 LEU 44 3HD1 LEU 44 5.941 -7.030 1.297 353 HD21 LEU 44 3HD2 LEU 44 4.018 -5.307 2.918 354 HD22 LEU 44 1HD2 LEU 44 3.211 -4.472 1.588 355 HD23 LEU 44 2HD2 LEU 44 4.966 -4.654 1.581 356 H SER 45 H SER 45 2.319 -9.392 -0.289 357 HA SER 45 HA SER 45 -0.345 -8.385 -0.947 358 HB2 SER 45 1HB SER 45 0.522 -11.149 -0.074 359 HB3 SER 45 2HB SER 45 -1.068 -10.683 -0.688 360 HG SER 45 HG SER 45 1.351 -10.412 -2.118 361 H ILE 46 H ILE 46 -1.235 -7.295 0.663 362 HA ILE 46 HA ILE 46 -0.512 -8.065 3.393 363 HB ILE 46 HB ILE 46 -1.165 -5.829 4.131 364 HG12 ILE 46 1HG1 ILE 46 -1.607 -5.209 1.197 365 HG13 ILE 46 2HG1 ILE 46 -2.871 -5.367 2.408 366 HG21 ILE 46 1HG2 ILE 46 0.818 -5.796 1.870 367 HG22 ILE 46 2HG2 ILE 46 1.148 -6.200 3.554 368 HG23 ILE 46 3HG2 ILE 46 0.672 -4.560 3.118 369 HD11 ILE 46 3HD1 ILE 46 -1.990 -3.421 3.588 370 HD12 ILE 46 1HD1 ILE 46 -2.397 -3.035 1.916 371 HD13 ILE 46 2HD1 ILE 46 -0.710 -3.266 2.385 372 H ARG 47 H ARG 47 -2.272 -7.447 5.009 373 HA ARG 47 HA ARG 47 -4.717 -8.820 4.163 374 HB2 ARG 47 1HB ARG 47 -3.722 -8.105 6.919 375 HB3 ARG 47 2HB ARG 47 -5.091 -9.136 6.551 376 HG2 ARG 47 1HG ARG 47 -2.213 -9.731 5.876 377 HG3 ARG 47 2HG ARG 47 -3.090 -10.394 7.251 378 HD2 ARG 47 1HD ARG 47 -4.650 -11.478 5.701 379 HD3 ARG 47 2HD ARG 47 -3.738 -10.837 4.331 380 HE ARG 47 HE ARG 47 -1.843 -12.098 5.686 381 HH11 ARG 47 1HH1 ARG 47 -5.061 -13.260 4.708 382 HH12 ARG 47 2HH1 ARG 47 -4.606 -14.888 4.617 383 HH21 ARG 47 1HH2 ARG 47 -1.230 -14.359 5.627 384 HH22 ARG 47 2HH2 ARG 47 -2.352 -15.537 5.167 385 H GLN 48 H GLN 48 -6.615 -7.992 5.730 386 HA GLN 48 HA GLN 48 -7.511 -5.539 4.709 387 HB2 GLN 48 1HB GLN 48 -8.508 -7.076 7.120 388 HB3 GLN 48 2HB GLN 48 -9.388 -5.806 6.286 389 HG2 GLN 48 1HG GLN 48 -8.521 -8.401 5.028 390 HG3 GLN 48 2HG GLN 48 -10.136 -8.057 5.652 391 HE21 GLN 48 2HE2 GLN 48 -9.080 -8.656 2.955 392 HE22 GLN 48 1HE2 GLN 48 -9.651 -7.369 1.948 393 H ASP 49 H ASP 49 -6.396 -6.360 7.953 394 HA ASP 49 HA ASP 49 -6.647 -3.730 9.008 395 HB2 ASP 49 1HB ASP 49 -5.093 -6.108 10.020 396 HB3 ASP 49 2HB ASP 49 -5.200 -4.586 10.895 397 H ASP 50 H ASP 50 -4.252 -5.250 7.138 398 HA ASP 50 HA ASP 50 -2.076 -3.602 7.959 399 HB2 ASP 50 1HB ASP 50 -2.466 -5.173 5.434 400 HB3 ASP 50 2HB ASP 50 -0.984 -4.296 5.806 401 H LEU 51 H LEU 51 -4.351 -3.476 5.249 402 HA LEU 51 HA LEU 51 -3.296 -1.176 4.011 403 HB2 LEU 51 1HB LEU 51 -5.068 -2.707 3.080 404 HB3 LEU 51 2HB LEU 51 -6.216 -1.929 4.145 405 HG LEU 51 HG LEU 51 -5.771 0.235 2.987 406 HD11 LEU 51 1HD1 LEU 51 -4.646 0.191 0.810 407 HD12 LEU 51 2HD1 LEU 51 -4.180 -1.487 1.087 408 HD13 LEU 51 3HD1 LEU 51 -3.549 -0.209 2.127 409 HD21 LEU 51 3HD2 LEU 51 -7.702 -1.113 2.364 410 HD22 LEU 51 1HD2 LEU 51 -6.715 -2.028 1.225 411 HD23 LEU 51 2HD2 LEU 51 -7.022 -0.319 0.944 412 H ARG 52 H ARG 52 -5.594 -1.602 6.566 413 HA ARG 52 HA ARG 52 -6.320 1.064 7.046 414 HB2 ARG 52 1HB ARG 52 -6.231 -1.409 8.737 415 HB3 ARG 52 2HB ARG 52 -6.717 0.131 9.425 416 HG2 ARG 52 1HG ARG 52 -8.616 0.265 8.030 417 HG3 ARG 52 2HG ARG 52 -8.037 -1.043 6.998 418 HD2 ARG 52 1HD ARG 52 -9.891 -1.569 8.701 419 HD3 ARG 52 2HD ARG 52 -8.531 -2.679 8.588 420 HE ARG 52 HE ARG 52 -7.610 -1.466 10.547 421 HH11 ARG 52 1HH1 ARG 52 -11.116 -1.362 10.043 422 HH12 ARG 52 2HH1 ARG 52 -11.504 -1.427 11.685 423 HH21 ARG 52 1HH2 ARG 52 -8.121 -1.562 12.789 424 HH22 ARG 52 2HH2 ARG 52 -9.747 -1.546 13.316 425 H THR 53 H THR 53 -3.699 -0.913 8.365 426 HA THR 53 HA THR 53 -2.670 1.041 10.090 427 HB THR 53 HB THR 53 -1.282 -1.351 8.832 428 HG1 THR 53 HG1 THR 53 -3.015 -2.067 10.054 429 HG21 THR 53 3HG2 THR 53 0.329 0.260 9.802 430 HG22 THR 53 1HG2 THR 53 0.251 -1.217 10.763 431 HG23 THR 53 2HG2 THR 53 -0.573 0.243 11.315 432 H LEU 54 H LEU 54 -2.011 0.342 6.667 433 HA LEU 54 HA LEU 54 0.141 2.104 6.309 434 HB2 LEU 54 1HB LEU 54 -1.896 0.948 4.468 435 HB3 LEU 54 2HB LEU 54 -0.959 2.306 3.893 436 HG LEU 54 HG LEU 54 1.110 1.014 4.224 437 HD11 LEU 54 1HD1 LEU 54 1.038 -1.367 4.683 438 HD12 LEU 54 2HD1 LEU 54 -0.700 -1.257 4.968 439 HD13 LEU 54 3HD1 LEU 54 0.424 -0.425 6.041 440 HD21 LEU 54 3HD2 LEU 54 0.009 0.979 2.072 441 HD22 LEU 54 1HD2 LEU 54 -0.968 -0.401 2.581 442 HD23 LEU 54 2HD2 LEU 54 0.781 -0.572 2.416 443 H ALA 55 H ALA 55 -3.304 2.668 6.295 444 HA ALA 55 HA ALA 55 -3.227 5.361 5.445 445 HB1 ALA 55 3HB ALA 55 -5.494 5.516 6.355 446 HB2 ALA 55 1HB ALA 55 -5.261 3.999 7.219 447 HB3 ALA 55 2HB ALA 55 -5.298 4.012 5.457 448 H VAL 56 H VAL 56 -2.840 3.803 8.520 449 HA VAL 56 HA VAL 56 -3.097 6.104 10.159 450 HB VAL 56 HB VAL 56 -1.718 3.462 10.784 451 HG11 VAL 56 1HG1 VAL 56 -2.670 5.622 12.672 452 HG12 VAL 56 2HG1 VAL 56 -0.993 5.224 12.312 453 HG13 VAL 56 3HG1 VAL 56 -2.018 4.052 13.144 454 HG21 VAL 56 3HG2 VAL 56 -4.516 4.400 11.406 455 HG22 VAL 56 1HG2 VAL 56 -3.795 2.888 11.950 456 HG23 VAL 56 2HG2 VAL 56 -4.068 3.165 10.229 457 H ILE 57 H ILE 57 -0.455 4.661 8.401 458 HA ILE 57 HA ILE 57 1.758 5.855 9.674 459 HB ILE 57 HB ILE 57 1.549 5.401 6.663 460 HG12 ILE 57 1HG1 ILE 57 2.325 3.418 8.835 461 HG13 ILE 57 2HG1 ILE 57 0.896 3.404 7.793 462 HG21 ILE 57 1HG2 ILE 57 3.988 5.103 6.797 463 HG22 ILE 57 2HG2 ILE 57 3.930 5.452 8.526 464 HG23 ILE 57 3HG2 ILE 57 3.489 6.700 7.363 465 HD11 ILE 57 3HD1 ILE 57 2.580 1.785 7.052 466 HD12 ILE 57 1HD1 ILE 57 3.730 3.102 6.823 467 HD13 ILE 57 2HD1 ILE 57 2.272 3.025 5.839 468 H TYR 58 H TYR 58 -0.411 6.993 7.184 469 HA TYR 58 HA TYR 58 1.061 9.521 6.956 470 HB2 TYR 58 1HB TYR 58 -1.333 8.641 5.353 471 HB3 TYR 58 2HB TYR 58 -0.216 9.939 4.974 472 HD1 TYR 58 HD2 TYR 58 2.349 8.282 5.585 473 HD2 TYR 58 HD1 TYR 58 -1.159 7.466 3.331 474 HE1 TYR 58 HE2 TYR 58 3.598 6.672 4.173 475 HE2 TYR 58 HE1 TYR 58 0.108 5.889 1.944 476 HH TYR 58 HH TYR 58 2.520 5.637 1.285 477 H ASP 59 H ASP 59 -1.272 8.313 8.896 478 HA ASP 59 HA ASP 59 -2.955 9.066 10.153 479 HB2 ASP 59 1HB ASP 59 -1.772 11.764 9.450 480 HB3 ASP 59 2HB ASP 59 -3.105 11.527 10.575 481 H GLN 60 H GLN 60 -3.426 8.468 7.504 482 HA GLN 60 HA GLN 60 -5.488 10.372 6.691 483 HB2 GLN 60 1HB GLN 60 -4.029 8.236 5.141 484 HB3 GLN 60 2HB GLN 60 -5.413 9.115 4.511 485 HG2 GLN 60 1HG GLN 60 -2.787 10.324 5.356 486 HG3 GLN 60 2HG GLN 60 -3.316 10.047 3.697 487 HE21 GLN 60 2HE2 GLN 60 -2.600 12.529 5.009 488 HE22 GLN 60 1HE2 GLN 60 -3.988 13.546 4.905 489 H SER 61 H SER 61 -7.394 9.359 5.720 490 HA SER 61 HA SER 61 -8.339 7.195 7.371 491 HB2 SER 61 1HB SER 61 -9.767 9.161 7.062 492 HB3 SER 61 2HB SER 61 -9.673 8.972 5.319 493 HG SER 61 HG SER 61 -11.606 8.173 6.235 494 HA PRO 62 HA PRO 62 -7.407 4.011 4.452 495 HB2 PRO 62 1HB PRO 62 -9.766 2.524 4.695 496 HB3 PRO 62 2HB PRO 62 -8.324 2.346 5.693 497 HG2 PRO 62 1HG PRO 62 -10.843 3.847 6.248 498 HG3 PRO 62 2HG PRO 62 -9.818 2.925 7.363 499 HD2 PRO 62 1HD PRO 62 -9.780 5.592 7.325 500 HD3 PRO 62 2HD PRO 62 -8.288 4.659 7.578 501 H SER 63 H SER 63 -10.459 5.724 4.168 502 HA SER 63 HA SER 63 -11.281 4.684 1.705 503 HB2 SER 63 1HB SER 63 -11.883 7.414 2.853 504 HB3 SER 63 2HB SER 63 -12.862 6.503 1.701 505 HG SER 63 HG SER 63 -13.297 6.481 4.127 506 H VAL 64 H VAL 64 -9.659 7.872 2.366 507 HA VAL 64 HA VAL 64 -9.204 8.344 -0.398 508 HB VAL 64 HB VAL 64 -9.285 10.185 1.295 509 HG11 VAL 64 1HG1 VAL 64 -8.057 9.182 3.114 510 HG12 VAL 64 2HG1 VAL 64 -7.317 10.717 2.656 511 HG13 VAL 64 3HG1 VAL 64 -6.579 9.197 2.156 512 HG21 VAL 64 3HG2 VAL 64 -7.447 11.548 0.381 513 HG22 VAL 64 1HG2 VAL 64 -8.306 10.648 -0.872 514 HG23 VAL 64 2HG2 VAL 64 -6.731 10.090 -0.306 515 H LEU 65 H LEU 65 -7.532 6.615 2.021 516 HA LEU 65 HA LEU 65 -4.965 6.530 0.873 517 HB2 LEU 65 1HB LEU 65 -5.554 5.974 3.249 518 HB3 LEU 65 2HB LEU 65 -6.310 4.512 2.681 519 HG LEU 65 HG LEU 65 -4.057 4.239 3.773 520 HD11 LEU 65 1HD1 LEU 65 -4.921 2.459 2.418 521 HD12 LEU 65 2HD1 LEU 65 -3.176 2.615 2.184 522 HD13 LEU 65 3HD1 LEU 65 -4.291 3.227 0.963 523 HD21 LEU 65 3HD2 LEU 65 -2.976 6.207 2.847 524 HD22 LEU 65 1HD2 LEU 65 -3.056 5.501 1.235 525 HD23 LEU 65 2HD2 LEU 65 -2.058 4.745 2.478 526 H THR 66 H THR 66 -7.675 4.173 0.731 527 HA THR 66 HA THR 66 -6.285 2.491 -1.030 528 HB THR 66 HB THR 66 -8.132 1.628 0.348 529 HG1 THR 66 HG1 THR 66 -7.978 1.252 -2.382 530 HG21 THR 66 3HG2 THR 66 -9.932 3.189 -1.505 531 HG22 THR 66 1HG2 THR 66 -9.690 3.506 0.210 532 HG23 THR 66 2HG2 THR 66 -10.478 2.015 -0.306 533 H GLU 67 H GLU 67 -8.353 5.254 -1.594 534 HA GLU 67 HA GLU 67 -8.741 4.835 -4.349 535 HB2 GLU 67 1HB GLU 67 -8.730 7.378 -2.736 536 HB3 GLU 67 2HB GLU 67 -9.109 7.334 -4.449 537 HG2 GLU 67 1HG GLU 67 -10.613 5.927 -2.256 538 HG3 GLU 67 2HG GLU 67 -11.142 7.358 -3.140 539 H GLN 68 H GLN 68 -6.206 6.613 -2.601 540 HA GLN 68 HA GLN 68 -4.830 7.369 -4.912 541 HB2 GLN 68 1HB GLN 68 -3.999 7.007 -2.075 542 HB3 GLN 68 2HB GLN 68 -2.832 7.454 -3.312 543 HG2 GLN 68 1HG GLN 68 -4.381 9.411 -3.818 544 HG3 GLN 68 2HG GLN 68 -5.224 8.991 -2.328 545 HE21 GLN 68 2HE2 GLN 68 -4.187 9.288 -0.377 546 HE22 GLN 68 1HE2 GLN 68 -2.741 10.239 -0.227 547 H LEU 69 H LEU 69 -4.458 4.603 -2.794 548 HA LEU 69 HA LEU 69 -2.324 3.329 -4.021 549 HB2 LEU 69 1HB LEU 69 -4.642 2.406 -2.420 550 HB3 LEU 69 2HB LEU 69 -3.744 1.177 -3.277 551 HG LEU 69 HG LEU 69 -3.102 1.501 -0.855 552 HD11 LEU 69 1HD1 LEU 69 -0.925 1.960 -2.871 553 HD12 LEU 69 2HD1 LEU 69 -1.638 0.400 -2.458 554 HD13 LEU 69 3HD1 LEU 69 -0.734 1.305 -1.246 555 HD21 LEU 69 3HD2 LEU 69 -1.852 4.045 -1.893 556 HD22 LEU 69 1HD2 LEU 69 -1.629 3.357 -0.287 557 HD23 LEU 69 2HD2 LEU 69 -3.214 3.956 -0.778 558 H ILE 70 H ILE 70 -5.741 3.112 -4.951 559 HA ILE 70 HA ILE 70 -5.182 1.304 -7.096 560 HB ILE 70 HB ILE 70 -7.637 3.014 -6.575 561 HG12 ILE 70 1HG1 ILE 70 -7.153 0.074 -6.036 562 HG13 ILE 70 2HG1 ILE 70 -7.110 1.334 -4.815 563 HG21 ILE 70 1HG2 ILE 70 -7.284 0.684 -8.477 564 HG22 ILE 70 2HG2 ILE 70 -7.495 2.371 -8.934 565 HG23 ILE 70 3HG2 ILE 70 -8.811 1.507 -8.142 566 HD11 ILE 70 3HD1 ILE 70 -9.508 0.530 -6.454 567 HD12 ILE 70 1HD1 ILE 70 -9.479 1.801 -5.231 568 HD13 ILE 70 2HD1 ILE 70 -9.210 0.121 -4.765 569 H SER 71 H SER 71 -5.481 4.802 -6.784 570 HA SER 71 HA SER 71 -5.536 5.258 -9.573 571 HB2 SER 71 1HB SER 71 -6.519 6.825 -7.903 572 HB3 SER 71 2HB SER 71 -4.885 7.251 -7.395 573 HG SER 71 HG SER 71 -5.310 7.402 -10.099 574 H TRP 72 H TRP 72 -2.900 5.062 -7.224 575 HA TRP 72 HA TRP 72 -0.892 6.112 -8.978 576 HB2 TRP 72 1HB TRP 72 -0.535 4.166 -6.687 577 HB3 TRP 72 2HB TRP 72 0.745 5.067 -7.470 578 HD1 TRP 72 HD1 TRP 72 -1.272 7.858 -7.212 579 HE1 TRP 72 HE1 TRP 72 -1.170 9.029 -4.908 580 HE3 TRP 72 HE3 TRP 72 0.684 4.055 -4.473 581 HZ2 TRP 72 HZ2 TRP 72 -0.337 8.409 -2.279 582 HZ3 TRP 72 HZ3 TRP 72 1.120 4.406 -2.064 583 HH2 TRP 72 HH2 TRP 72 0.619 6.538 -0.997 584 H GLY 73 H GLY 73 -2.606 3.215 -8.835 585 HA2 GLY 73 1HA GLY 73 -2.606 1.477 -10.380 586 HA3 GLY 73 2HA GLY 73 -1.107 2.121 -11.047 587 H VAL 74 H VAL 74 -1.379 1.611 -7.671 588 HA VAL 74 HA VAL 74 0.530 -0.596 -7.948 589 HB VAL 74 HB VAL 74 1.501 1.153 -6.621 590 HG11 VAL 74 1HG1 VAL 74 -0.529 2.334 -6.017 591 HG12 VAL 74 2HG1 VAL 74 0.482 2.032 -4.598 592 HG13 VAL 74 3HG1 VAL 74 -0.952 1.046 -4.893 593 HG21 VAL 74 3HG2 VAL 74 0.508 -1.020 -4.791 594 HG22 VAL 74 1HG2 VAL 74 1.840 0.077 -4.425 595 HG23 VAL 74 2HG2 VAL 74 1.973 -1.053 -5.771 596 H LEU 75 H LEU 75 -2.598 0.189 -6.656 597 HA LEU 75 HA LEU 75 -2.782 -2.552 -5.675 598 HB2 LEU 75 1HB LEU 75 -3.133 -0.754 -4.009 599 HB3 LEU 75 2HB LEU 75 -4.465 -0.145 -4.971 600 HG LEU 75 HG LEU 75 -5.666 -2.273 -4.575 601 HD11 LEU 75 1HD1 LEU 75 -3.368 -2.855 -2.712 602 HD12 LEU 75 2HD1 LEU 75 -3.771 -3.744 -4.182 603 HD13 LEU 75 3HD1 LEU 75 -4.868 -3.771 -2.805 604 HD21 LEU 75 3HD2 LEU 75 -6.095 -0.318 -3.174 605 HD22 LEU 75 1HD2 LEU 75 -4.791 -0.801 -2.089 606 HD23 LEU 75 2HD2 LEU 75 -6.232 -1.806 -2.235 607 H ASP 76 H ASP 76 -4.547 -3.774 -6.319 608 HA ASP 76 HA ASP 76 -5.491 -3.326 -8.941 609 HB2 ASP 76 1HB ASP 76 -5.172 -5.596 -8.040 610 HB3 ASP 76 2HB ASP 76 -6.445 -5.316 -6.860 611 H ALA 77 H ALA 77 -7.594 -2.914 -9.644 612 HA ALA 77 HA ALA 77 -8.950 -0.856 -8.346 613 HB1 ALA 77 3HB ALA 77 -8.992 -1.187 -10.758 614 HB2 ALA 77 1HB ALA 77 -10.619 -1.089 -10.086 615 HB3 ALA 77 2HB ALA 77 -9.949 -2.656 -10.544 616 H ASP 78 H ASP 78 -9.674 -4.325 -8.478 617 HA ASP 78 HA ASP 78 -12.263 -4.120 -7.275 618 HB2 ASP 78 1HB ASP 78 -10.454 -6.431 -7.912 619 HB3 ASP 78 2HB ASP 78 -11.915 -6.670 -6.962 620 H ALA 79 H ALA 79 -9.137 -4.174 -6.100 621 HA ALA 79 HA ALA 79 -9.415 -5.320 -3.569 622 HB1 ALA 79 3HB ALA 79 -7.255 -4.792 -4.555 623 HB2 ALA 79 1HB ALA 79 -7.417 -4.064 -2.956 624 HB3 ALA 79 2HB ALA 79 -7.609 -3.070 -4.399 625 H ARG 80 H ARG 80 -10.483 -2.300 -4.784 626 HA ARG 80 HA ARG 80 -10.857 -0.538 -2.749 627 HB2 ARG 80 1HB ARG 80 -12.982 0.119 -3.875 628 HB3 ARG 80 2HB ARG 80 -11.625 -0.079 -4.982 629 HG2 ARG 80 1HG ARG 80 -12.480 -2.332 -5.559 630 HG3 ARG 80 2HG ARG 80 -13.866 -2.043 -4.510 631 HD2 ARG 80 1HD ARG 80 -13.135 -0.318 -6.857 632 HD3 ARG 80 2HD ARG 80 -14.241 -1.674 -6.959 633 HE ARG 80 HE ARG 80 -15.252 -0.207 -4.924 634 HH11 ARG 80 1HH1 ARG 80 -14.296 0.794 -8.181 635 HH12 ARG 80 2HH1 ARG 80 -15.677 1.766 -8.426 636 HH21 ARG 80 1HH2 ARG 80 -17.131 1.108 -5.287 637 HH22 ARG 80 2HH2 ARG 80 -17.324 1.925 -6.784 638 H ARG 81 H ARG 81 -12.524 -3.592 -3.107 639 HA ARG 81 HA ARG 81 -14.689 -2.976 -1.372 640 HB2 ARG 81 1HB ARG 81 -13.728 -5.637 -2.389 641 HB3 ARG 81 2HB ARG 81 -15.244 -5.368 -1.533 642 HG2 ARG 81 1HG ARG 81 -15.986 -3.875 -3.293 643 HG3 ARG 81 2HG ARG 81 -14.461 -4.115 -4.139 644 HD2 ARG 81 1HD ARG 81 -14.981 -6.529 -4.301 645 HD3 ARG 81 2HD ARG 81 -16.548 -6.199 -3.563 646 HE ARG 81 HE ARG 81 -17.130 -4.879 -5.422 647 HH11 ARG 81 1HH1 ARG 81 -14.219 -6.851 -5.887 648 HH12 ARG 81 2HH1 ARG 81 -14.229 -6.727 -7.588 649 HH21 ARG 81 1HH2 ARG 81 -17.147 -4.740 -7.773 650 HH22 ARG 81 2HH2 ARG 81 -15.925 -5.504 -8.672 651 H ALA 82 H ALA 82 -11.470 -3.792 -0.754 652 HA ALA 82 HA ALA 82 -11.614 -5.482 1.458 653 HB1 ALA 82 3HB ALA 82 -9.597 -3.312 0.909 654 HB2 ALA 82 1HB ALA 82 -9.558 -4.949 0.252 655 HB3 ALA 82 2HB ALA 82 -9.379 -4.691 1.990 656 H VAL 83 H VAL 83 -11.393 -1.934 1.424 657 HA VAL 83 HA VAL 83 -12.228 -1.987 4.220 658 HB VAL 83 HB VAL 83 -11.542 0.430 4.309 659 HG11 VAL 83 1HG1 VAL 83 -9.436 -1.547 3.458 660 HG12 VAL 83 2HG1 VAL 83 -10.031 -1.277 5.097 661 HG13 VAL 83 3HG1 VAL 83 -9.116 -0.016 4.272 662 HG21 VAL 83 3HG2 VAL 83 -11.757 0.994 1.953 663 HG22 VAL 83 1HG2 VAL 83 -10.463 -0.132 1.540 664 HG23 VAL 83 2HG2 VAL 83 -10.113 1.307 2.502 665 H ALA 84 H ALA 84 -13.825 -2.250 1.716 666 HA ALA 84 HA ALA 84 -15.756 -0.112 2.266 667 HB1 ALA 84 3HB ALA 84 -15.032 -0.357 -0.129 668 HB2 ALA 84 1HB ALA 84 -16.772 -0.565 0.122 669 HB3 ALA 84 2HB ALA 84 -15.747 -1.971 -0.097 670 H SER 85 H SER 85 -15.789 -3.572 1.312 671 HA SER 85 HA SER 85 -17.661 -4.072 3.422 672 HB2 SER 85 1HB SER 85 -19.344 -5.011 1.830 673 HB3 SER 85 2HB SER 85 -19.155 -3.259 1.719 674 HG SER 85 HG SER 85 -17.850 -5.154 0.114 675 H HIS 86 H HIS 86 -15.948 -5.452 4.116 676 HA HIS 86 HA HIS 86 -15.748 -7.845 2.481 677 HB2 HIS 86 1HB HIS 86 -13.892 -8.588 3.989 678 HB3 HIS 86 2HB HIS 86 -13.533 -7.078 3.183 679 HD1 HIS 86 HD1 HIS 86 -12.505 -5.371 4.688 680 HD2 HIS 86 HD2 HIS 86 -14.852 -8.090 6.775 681 HE1 HIS 86 HE1 HIS 86 -12.140 -4.882 7.113 682 H ASP 87 H ASP 87 -15.989 -9.928 3.597 683 HA ASP 87 HA ASP 87 -17.232 -11.401 4.650 684 HB2 ASP 87 1HB ASP 87 -17.622 -9.223 6.684 685 HB3 ASP 87 2HB ASP 87 -18.599 -10.684 6.771 686 H GLU 88 H GLU 88 -18.726 -8.435 3.896 687 HA GLU 88 HA GLU 88 -21.247 -9.706 3.379 688 HB2 GLU 88 1HB GLU 88 -20.162 -6.962 2.802 689 HB3 GLU 88 2HB GLU 88 -21.725 -7.485 2.196 690 HG2 GLU 88 1HG GLU 88 -20.926 -7.415 5.093 691 HG3 GLU 88 2HG GLU 88 -21.871 -6.179 4.260 692 H LEU 89 H LEU 89 -20.495 -11.375 2.113 693 HA LEU 89 HA LEU 89 -20.178 -10.688 -0.680 694 HB2 LEU 89 1HB LEU 89 -17.905 -11.054 0.456 695 HB3 LEU 89 2HB LEU 89 -18.406 -12.699 0.746 696 HG LEU 89 HG LEU 89 -18.115 -11.521 -2.030 697 HD11 LEU 89 1HD1 LEU 89 -15.982 -11.413 -0.876 698 HD12 LEU 89 2HD1 LEU 89 -15.959 -12.662 -2.120 699 HD13 LEU 89 3HD1 LEU 89 -16.127 -13.112 -0.423 700 HD21 LEU 89 3HD2 LEU 89 -18.193 -14.385 -1.057 701 HD22 LEU 89 1HD2 LEU 89 -17.981 -13.859 -2.728 702 HD23 LEU 89 2HD2 LEU 89 -19.502 -13.549 -1.892 Start of MODEL 18 1 H1 MET 1 1H MET 1 -15.575 -14.376 2.105 2 H2 MET 1 2H MET 1 -14.273 -13.798 3.012 3 H3 MET 1 3H MET 1 -15.808 -13.783 3.673 4 HA MET 1 HA MET 1 -15.881 -16.169 3.715 5 HB2 MET 1 1HB MET 1 -12.993 -15.916 2.820 6 HB3 MET 1 2HB MET 1 -13.785 -17.388 3.348 7 HG2 MET 1 1HG MET 1 -15.242 -17.320 1.437 8 HG3 MET 1 2HG MET 1 -14.503 -15.814 0.893 9 HE1 MET 1 3HE MET 1 -12.383 -19.911 1.016 10 HE2 MET 1 1HE MET 1 -14.037 -19.621 1.538 11 HE3 MET 1 2HE MET 1 -12.683 -19.000 2.493 12 H GLU 2 H GLU 2 -14.384 -17.411 5.344 13 HA GLU 2 HA GLU 2 -13.974 -15.817 7.613 14 HB2 GLU 2 1HB GLU 2 -14.562 -18.166 7.803 15 HB3 GLU 2 2HB GLU 2 -13.101 -18.684 7.012 16 HG2 GLU 2 1HG GLU 2 -11.841 -17.667 8.944 17 HG3 GLU 2 2HG GLU 2 -13.404 -17.444 9.730 18 HA PRO 3 HA PRO 3 -9.284 -15.808 6.407 19 HB2 PRO 3 1HB PRO 3 -9.208 -16.665 3.584 20 HB3 PRO 3 2HB PRO 3 -8.184 -17.195 4.921 21 HG2 PRO 3 1HG PRO 3 -9.994 -18.833 3.826 22 HG3 PRO 3 2HG PRO 3 -9.662 -18.850 5.565 23 HD2 PRO 3 1HD PRO 3 -11.898 -17.526 4.090 24 HD3 PRO 3 2HD PRO 3 -11.958 -18.529 5.558 25 HA PRO 4 HA PRO 4 -10.982 -12.130 4.491 26 HB2 PRO 4 1HB PRO 4 -9.145 -10.370 5.434 27 HB3 PRO 4 2HB PRO 4 -10.441 -11.027 6.436 28 HG2 PRO 4 1HG PRO 4 -7.574 -11.842 6.271 29 HG3 PRO 4 2HG PRO 4 -8.605 -11.658 7.700 30 HD2 PRO 4 1HD PRO 4 -8.050 -14.061 6.568 31 HD3 PRO 4 2HD PRO 4 -9.561 -13.727 7.433 32 HA PRO 5 HA PRO 5 -8.835 -11.899 0.681 33 HB2 PRO 5 1HB PRO 5 -9.443 -9.313 -0.058 34 HB3 PRO 5 2HB PRO 5 -10.531 -10.687 -0.242 35 HG2 PRO 5 1HG PRO 5 -10.449 -8.614 1.901 36 HG3 PRO 5 2HG PRO 5 -11.852 -9.347 1.104 37 HD2 PRO 5 1HD PRO 5 -11.067 -10.094 3.557 38 HD3 PRO 5 2HD PRO 5 -11.739 -11.263 2.399 39 H LYS 6 H LYS 6 -6.809 -11.661 0.236 40 HA LYS 6 HA LYS 6 -5.190 -9.643 1.544 41 HB2 LYS 6 1HB LYS 6 -4.474 -12.000 -0.198 42 HB3 LYS 6 2HB LYS 6 -3.297 -10.880 0.462 43 HG2 LYS 6 1HG LYS 6 -3.930 -11.510 2.732 44 HG3 LYS 6 2HG LYS 6 -5.152 -12.611 2.097 45 HD2 LYS 6 1HD LYS 6 -2.190 -12.834 1.536 46 HD3 LYS 6 2HD LYS 6 -3.023 -13.721 2.810 47 HE2 LYS 6 1HE LYS 6 -3.627 -13.900 -0.146 48 HE3 LYS 6 2HE LYS 6 -2.689 -15.065 0.778 49 HZ1 LYS 6 3HZ LYS 6 -5.559 -14.416 1.232 50 HZ2 LYS 6 1HZ LYS 6 -4.665 -15.500 2.137 51 HZ3 LYS 6 2HZ LYS 6 -4.991 -15.802 0.511 52 H LEU 7 H LEU 7 -4.123 -8.103 0.451 53 HA LEU 7 HA LEU 7 -5.117 -7.569 -2.248 54 HB2 LEU 7 1HB LEU 7 -4.037 -5.653 -0.189 55 HB3 LEU 7 2HB LEU 7 -4.702 -5.242 -1.754 56 HG LEU 7 HG LEU 7 -6.213 -6.386 0.585 57 HD11 LEU 7 1HD1 LEU 7 -7.392 -4.252 0.551 58 HD12 LEU 7 2HD1 LEU 7 -6.318 -3.683 -0.728 59 HD13 LEU 7 3HD1 LEU 7 -5.667 -4.061 0.868 60 HD21 LEU 7 3HD2 LEU 7 -7.157 -7.299 -1.430 61 HD22 LEU 7 1HD2 LEU 7 -7.158 -5.712 -2.201 62 HD23 LEU 7 2HD2 LEU 7 -8.216 -6.023 -0.835 63 H VAL 8 H VAL 8 -3.668 -7.073 -3.815 64 HA VAL 8 HA VAL 8 -0.913 -7.762 -3.200 65 HB VAL 8 HB VAL 8 -2.349 -7.581 -5.854 66 HG11 VAL 8 1HG1 VAL 8 0.032 -7.050 -6.066 67 HG12 VAL 8 2HG1 VAL 8 -0.332 -8.618 -6.787 68 HG13 VAL 8 3HG1 VAL 8 0.436 -8.534 -5.205 69 HG21 VAL 8 3HG2 VAL 8 -2.151 -10.018 -5.881 70 HG22 VAL 8 1HG2 VAL 8 -3.086 -9.462 -4.492 71 HG23 VAL 8 2HG2 VAL 8 -1.413 -9.978 -4.277 72 H LEU 9 H LEU 9 0.498 -6.237 -2.979 73 HA LEU 9 HA LEU 9 0.043 -3.541 -4.041 74 HB2 LEU 9 1HB LEU 9 0.481 -4.045 -1.571 75 HB3 LEU 9 2HB LEU 9 2.084 -4.543 -2.052 76 HG LEU 9 HG LEU 9 2.396 -2.198 -2.968 77 HD11 LEU 9 1HD1 LEU 9 0.038 -1.590 -3.072 78 HD12 LEU 9 2HD1 LEU 9 0.950 -0.473 -2.060 79 HD13 LEU 9 3HD1 LEU 9 -0.071 -1.701 -1.314 80 HD21 LEU 9 3HD2 LEU 9 1.943 -2.556 -0.004 81 HD22 LEU 9 1HD2 LEU 9 2.895 -1.273 -0.750 82 HD23 LEU 9 2HD2 LEU 9 3.420 -2.951 -0.883 83 H ASP 10 H ASP 10 1.282 -2.992 -5.797 84 HA ASP 10 HA ASP 10 3.362 -4.811 -6.756 85 HB2 ASP 10 1HB ASP 10 1.686 -3.694 -8.284 86 HB3 ASP 10 2HB ASP 10 2.477 -2.166 -7.937 87 H LEU 11 H LEU 11 5.412 -4.609 -6.080 88 HA LEU 11 HA LEU 11 6.157 -2.341 -4.509 89 HB2 LEU 11 1HB LEU 11 7.766 -4.740 -5.346 90 HB3 LEU 11 2HB LEU 11 8.303 -3.523 -4.208 91 HG LEU 11 HG LEU 11 5.979 -5.411 -3.823 92 HD11 LEU 11 1HD1 LEU 11 8.136 -6.496 -3.627 93 HD12 LEU 11 2HD1 LEU 11 7.364 -6.351 -2.046 94 HD13 LEU 11 3HD1 LEU 11 8.671 -5.258 -2.493 95 HD21 LEU 11 3HD2 LEU 11 5.503 -3.272 -2.755 96 HD22 LEU 11 1HD2 LEU 11 7.093 -3.285 -1.984 97 HD23 LEU 11 2HD2 LEU 11 5.888 -4.490 -1.541 98 H GLU 12 H GLU 12 6.724 -3.296 -7.805 99 HA GLU 12 HA GLU 12 8.932 -1.463 -8.048 100 HB2 GLU 12 1HB GLU 12 7.424 -2.998 -10.142 101 HB3 GLU 12 2HB GLU 12 8.725 -1.883 -10.517 102 HG2 GLU 12 1HG GLU 12 10.158 -3.321 -8.980 103 HG3 GLU 12 2HG GLU 12 8.854 -4.507 -9.075 104 H ARG 13 H ARG 13 5.534 -1.520 -8.857 105 HA ARG 13 HA ARG 13 5.551 1.003 -10.123 106 HB2 ARG 13 1HB ARG 13 3.689 -0.616 -10.383 107 HB3 ARG 13 2HB ARG 13 3.262 -0.361 -8.698 108 HG2 ARG 13 1HG ARG 13 1.787 0.871 -10.198 109 HG3 ARG 13 2HG ARG 13 2.710 1.956 -9.162 110 HD2 ARG 13 1HD ARG 13 4.278 2.369 -10.997 111 HD3 ARG 13 2HD ARG 13 3.344 1.292 -12.036 112 HE ARG 13 HE ARG 13 1.614 3.187 -11.012 113 HH11 ARG 13 1HH1 ARG 13 4.409 3.136 -13.205 114 HH12 ARG 13 2HH1 ARG 13 3.914 4.521 -14.064 115 HH21 ARG 13 1HH2 ARG 13 0.949 5.040 -12.205 116 HH22 ARG 13 2HH2 ARG 13 1.895 5.620 -13.489 117 H LEU 14 H LEU 14 5.235 -0.037 -6.806 118 HA LEU 14 HA LEU 14 4.590 2.387 -5.588 119 HB2 LEU 14 1HB LEU 14 4.560 0.309 -4.363 120 HB3 LEU 14 2HB LEU 14 6.280 0.086 -4.617 121 HG LEU 14 HG LEU 14 6.749 2.004 -3.175 122 HD11 LEU 14 1HD1 LEU 14 4.955 3.011 -1.850 123 HD12 LEU 14 2HD1 LEU 14 3.767 2.095 -2.782 124 HD13 LEU 14 3HD1 LEU 14 4.759 3.317 -3.574 125 HD21 LEU 14 3HD2 LEU 14 6.092 0.976 -1.063 126 HD22 LEU 14 1HD2 LEU 14 6.652 -0.235 -2.212 127 HD23 LEU 14 2HD2 LEU 14 4.925 -0.042 -1.910 128 H ALA 15 H ALA 15 7.699 1.064 -6.577 129 HA ALA 15 HA ALA 15 9.247 3.201 -5.519 130 HB1 ALA 15 3HB ALA 15 9.955 1.204 -7.652 131 HB2 ALA 15 1HB ALA 15 10.167 0.975 -5.918 132 HB3 ALA 15 2HB ALA 15 11.084 2.225 -6.762 133 H THR 16 H THR 16 7.183 3.079 -8.141 134 HA THR 16 HA THR 16 8.705 4.967 -9.751 135 HB THR 16 HB THR 16 5.926 3.852 -10.306 136 HG1 THR 16 HG1 THR 16 7.906 2.305 -10.041 137 HG21 THR 16 3HG2 THR 16 6.466 4.348 -12.630 138 HG22 THR 16 1HG2 THR 16 8.085 4.876 -12.159 139 HG23 THR 16 2HG2 THR 16 6.681 5.795 -11.644 140 H VAL 17 H VAL 17 6.653 4.987 -7.137 141 HA VAL 17 HA VAL 17 5.117 7.342 -7.807 142 HB VAL 17 HB VAL 17 5.239 5.621 -5.296 143 HG11 VAL 17 1HG1 VAL 17 3.268 7.823 -5.933 144 HG12 VAL 17 2HG1 VAL 17 4.544 7.916 -4.720 145 HG13 VAL 17 3HG1 VAL 17 3.222 6.765 -4.525 146 HG21 VAL 17 3HG2 VAL 17 4.284 4.465 -7.183 147 HG22 VAL 17 1HG2 VAL 17 3.172 5.805 -7.471 148 HG23 VAL 17 2HG2 VAL 17 3.028 4.839 -6.000 149 HA PRO 18 HA PRO 18 7.983 10.455 -6.279 150 HB2 PRO 18 1HB PRO 18 5.436 11.402 -4.989 151 HB3 PRO 18 2HB PRO 18 6.674 12.337 -5.839 152 HG2 PRO 18 1HG PRO 18 4.456 11.722 -7.095 153 HG3 PRO 18 2HG PRO 18 6.016 11.592 -7.925 154 HD2 PRO 18 1HD PRO 18 4.254 9.439 -6.871 155 HD3 PRO 18 2HD PRO 18 5.322 9.433 -8.289 156 H ALA 19 H ALA 19 9.143 10.832 -4.482 157 HA ALA 19 HA ALA 19 9.398 8.885 -2.539 158 HB1 ALA 19 3HB ALA 19 11.063 10.300 -1.531 159 HB2 ALA 19 1HB ALA 19 10.443 11.697 -2.405 160 HB3 ALA 19 2HB ALA 19 11.198 10.368 -3.286 161 H GLU 20 H GLU 20 7.752 11.970 -2.292 162 HA GLU 20 HA GLU 20 7.471 11.935 0.530 163 HB2 GLU 20 1HB GLU 20 5.965 13.471 -1.568 164 HB3 GLU 20 2HB GLU 20 5.813 13.729 0.164 165 HG2 GLU 20 1HG GLU 20 8.173 14.315 0.293 166 HG3 GLU 20 2HG GLU 20 8.343 14.050 -1.438 167 H LYS 21 H LYS 21 5.950 10.062 -1.731 168 HA LYS 21 HA LYS 21 3.758 9.522 0.148 169 HB2 LYS 21 1HB LYS 21 3.671 9.351 -2.871 170 HB3 LYS 21 2HB LYS 21 2.381 8.806 -1.807 171 HG2 LYS 21 1HG LYS 21 2.105 11.080 -0.969 172 HG3 LYS 21 2HG LYS 21 3.404 11.633 -2.021 173 HD2 LYS 21 1HD LYS 21 2.080 10.973 -3.979 174 HD3 LYS 21 2HD LYS 21 0.784 10.425 -2.912 175 HE2 LYS 21 1HE LYS 21 0.504 12.658 -2.041 176 HE3 LYS 21 2HE LYS 21 1.838 13.250 -3.023 177 HZ1 LYS 21 3HZ LYS 21 -0.196 13.812 -4.084 178 HZ2 LYS 21 1HZ LYS 21 -0.798 12.248 -3.973 179 HZ3 LYS 21 2HZ LYS 21 0.483 12.581 -4.997 180 H ALA 22 H ALA 22 6.053 8.211 -2.170 181 HA ALA 22 HA ALA 22 5.366 5.487 -1.673 182 HB1 ALA 22 3HB ALA 22 7.190 4.953 -3.128 183 HB2 ALA 22 1HB ALA 22 7.823 6.595 -2.991 184 HB3 ALA 22 2HB ALA 22 6.291 6.322 -3.798 185 H GLY 23 H GLY 23 7.862 7.695 -0.508 186 HA2 GLY 23 1HA GLY 23 9.830 6.045 0.413 187 HA3 GLY 23 2HA GLY 23 9.388 7.559 1.169 188 HA PRO 24 HA PRO 24 7.909 5.576 4.862 189 HB2 PRO 24 1HB PRO 24 5.068 6.261 4.290 190 HB3 PRO 24 2HB PRO 24 6.038 6.619 5.723 191 HG2 PRO 24 1HG PRO 24 5.478 8.543 3.985 192 HG3 PRO 24 2HG PRO 24 7.091 8.434 4.712 193 HD2 PRO 24 1HD PRO 24 6.188 7.618 1.980 194 HD3 PRO 24 2HD PRO 24 7.690 8.427 2.476 195 H LEU 25 H LEU 25 5.948 4.881 2.028 196 HA LEU 25 HA LEU 25 4.911 2.457 3.160 197 HB2 LEU 25 1HB LEU 25 3.472 3.692 1.697 198 HB3 LEU 25 2HB LEU 25 4.651 3.655 0.409 199 HG LEU 25 HG LEU 25 4.218 1.270 0.041 200 HD11 LEU 25 1HD1 LEU 25 2.524 0.056 1.285 201 HD12 LEU 25 2HD1 LEU 25 2.232 1.463 2.300 202 HD13 LEU 25 3HD1 LEU 25 3.783 0.620 2.388 203 HD21 LEU 25 3HD2 LEU 25 1.920 1.390 -0.677 204 HD22 LEU 25 1HD2 LEU 25 2.763 2.891 -1.049 205 HD23 LEU 25 2HD2 LEU 25 1.657 2.818 0.326 206 H GLN 26 H GLN 26 7.494 3.291 0.958 207 HA GLN 26 HA GLN 26 8.167 0.631 0.261 208 HB2 GLN 26 1HB GLN 26 9.947 3.066 0.466 209 HB3 GLN 26 2HB GLN 26 10.428 1.539 -0.259 210 HG2 GLN 26 1HG GLN 26 8.592 1.820 -1.911 211 HG3 GLN 26 2HG GLN 26 8.261 3.405 -1.217 212 HE21 GLN 26 2HE2 GLN 26 10.373 1.520 -3.133 213 HE22 GLN 26 1HE2 GLN 26 11.357 2.801 -3.735 214 H ARG 27 H ARG 27 9.040 2.734 2.895 215 HA ARG 27 HA ARG 27 10.850 1.064 4.224 216 HB2 ARG 27 1HB ARG 27 8.968 3.187 5.180 217 HB3 ARG 27 2HB ARG 27 9.988 2.302 6.303 218 HG2 ARG 27 1HG ARG 27 11.964 3.157 5.306 219 HG3 ARG 27 2HG ARG 27 11.059 3.825 3.945 220 HD2 ARG 27 1HD ARG 27 11.752 5.489 5.688 221 HD3 ARG 27 2HD ARG 27 10.031 5.456 5.316 222 HE ARG 27 HE ARG 27 10.511 3.763 7.499 223 HH11 ARG 27 1HH1 ARG 27 10.665 7.222 6.751 224 HH12 ARG 27 2HH1 ARG 27 10.259 7.742 8.309 225 HH21 ARG 27 1HH2 ARG 27 9.817 4.466 9.649 226 HH22 ARG 27 2HH2 ARG 27 9.721 6.121 9.991 227 H TYR 28 H TYR 28 7.355 1.468 4.597 228 HA TYR 28 HA TYR 28 6.797 -0.420 6.542 229 HB2 TYR 28 1HB TYR 28 5.208 1.249 5.563 230 HB3 TYR 28 2HB TYR 28 5.140 0.273 4.108 231 HD1 TYR 28 HD1 TYR 28 4.062 -2.034 4.246 232 HD2 TYR 28 HD2 TYR 28 3.838 0.791 7.418 233 HE1 TYR 28 HE1 TYR 28 2.125 -3.230 5.180 234 HE2 TYR 28 HE2 TYR 28 1.927 -0.403 8.359 235 HH TYR 28 HH TYR 28 0.107 -1.896 7.440 236 H ALA 29 H ALA 29 6.834 -0.786 3.012 237 HA ALA 29 HA ALA 29 6.267 -3.503 2.861 238 HB1 ALA 29 3HB ALA 29 6.196 -1.987 0.932 239 HB2 ALA 29 1HB ALA 29 7.188 -3.409 0.605 240 HB3 ALA 29 2HB ALA 29 7.954 -1.863 0.969 241 H ALA 30 H ALA 30 9.419 -1.853 2.991 242 HA ALA 30 HA ALA 30 11.051 -4.113 2.821 243 HB1 ALA 30 3HB ALA 30 11.604 -1.546 4.315 244 HB2 ALA 30 1HB ALA 30 11.891 -1.812 2.595 245 HB3 ALA 30 2HB ALA 30 12.811 -2.720 3.796 246 H THR 31 H THR 31 9.530 -2.589 5.615 247 HA THR 31 HA THR 31 10.700 -4.219 7.583 248 HB THR 31 HB THR 31 7.936 -2.956 7.656 249 HG1 THR 31 HG1 THR 31 10.333 -1.802 7.442 250 HG21 THR 31 3HG2 THR 31 8.389 -4.549 9.484 251 HG22 THR 31 1HG2 THR 31 8.313 -2.895 10.093 252 HG23 THR 31 2HG2 THR 31 9.874 -3.680 9.871 253 H ILE 32 H ILE 32 7.645 -4.476 5.774 254 HA ILE 32 HA ILE 32 6.628 -6.822 6.901 255 HB ILE 32 HB ILE 32 6.304 -5.832 4.051 256 HG12 ILE 32 1HG1 ILE 32 5.528 -4.198 5.726 257 HG13 ILE 32 2HG1 ILE 32 4.195 -4.847 4.788 258 HG21 ILE 32 1HG2 ILE 32 4.672 -7.848 5.573 259 HG22 ILE 32 2HG2 ILE 32 5.696 -8.156 4.170 260 HG23 ILE 32 3HG2 ILE 32 4.238 -7.174 4.006 261 HD11 ILE 32 3HD1 ILE 32 3.610 -6.317 6.661 262 HD12 ILE 32 1HD1 ILE 32 3.592 -4.613 7.116 263 HD13 ILE 32 2HD1 ILE 32 4.940 -5.635 7.601 264 H GLN 33 H GLN 33 8.604 -6.445 3.972 265 HA GLN 33 HA GLN 33 8.884 -9.047 3.105 266 HB2 GLN 33 1HB GLN 33 11.049 -6.945 3.151 267 HB3 GLN 33 2HB GLN 33 11.038 -8.376 2.142 268 HG2 GLN 33 1HG GLN 33 8.996 -6.166 2.000 269 HG3 GLN 33 2HG GLN 33 10.428 -6.313 0.993 270 HE21 GLN 33 2HE2 GLN 33 10.423 -7.712 -0.702 271 HE22 GLN 33 1HE2 GLN 33 8.998 -8.522 -1.236 272 H SER 34 H SER 34 10.782 -7.310 5.498 273 HA SER 34 HA SER 34 12.617 -9.416 5.974 274 HB2 SER 34 1HB SER 34 12.101 -6.895 7.546 275 HB3 SER 34 2HB SER 34 13.527 -7.936 7.678 276 HG SER 34 HG SER 34 12.835 -6.097 5.734 277 H GLN 35 H GLN 35 9.824 -8.157 7.826 278 HA GLN 35 HA GLN 35 10.393 -9.949 9.972 279 HB2 GLN 35 1HB GLN 35 8.378 -9.130 11.047 280 HB3 GLN 35 2HB GLN 35 9.366 -7.811 10.454 281 HG2 GLN 35 1HG GLN 35 7.861 -7.579 8.532 282 HG3 GLN 35 2HG GLN 35 6.856 -8.872 9.185 283 HE21 GLN 35 2HE2 GLN 35 6.203 -6.091 8.687 284 HE22 GLN 35 1HE2 GLN 35 5.676 -5.456 10.201 285 H ARG 36 H ARG 36 8.283 -10.160 7.171 286 HA ARG 36 HA ARG 36 7.017 -12.527 8.258 287 HB2 ARG 36 1HB ARG 36 6.900 -11.390 5.454 288 HB3 ARG 36 2HB ARG 36 5.973 -12.772 6.011 289 HG2 ARG 36 1HG ARG 36 4.895 -11.285 7.694 290 HG3 ARG 36 2HG ARG 36 5.742 -9.928 6.949 291 HD2 ARG 36 1HD ARG 36 4.648 -10.454 4.800 292 HD3 ARG 36 2HD ARG 36 3.762 -11.758 5.593 293 HE ARG 36 HE ARG 36 3.391 -9.346 6.972 294 HH11 ARG 36 1HH1 ARG 36 2.374 -10.948 4.006 295 HH12 ARG 36 2HH1 ARG 36 0.924 -10.104 3.825 296 HH21 ARG 36 1HH2 ARG 36 1.368 -8.122 6.777 297 HH22 ARG 36 2HH2 ARG 36 0.302 -8.402 5.538 298 H GLY 37 H GLY 37 9.755 -11.729 6.367 299 HA2 GLY 37 1HA GLY 37 11.550 -13.112 5.875 300 HA3 GLY 37 2HA GLY 37 10.581 -14.501 6.375 301 H ASP 38 H ASP 38 9.360 -12.146 4.172 302 HA ASP 38 HA ASP 38 9.702 -14.029 1.977 303 HB2 ASP 38 1HB ASP 38 7.167 -12.626 2.811 304 HB3 ASP 38 2HB ASP 38 7.415 -13.189 1.168 305 H TYR 39 H TYR 39 11.339 -12.838 1.108 306 HA TYR 39 HA TYR 39 10.770 -10.096 0.419 307 HB2 TYR 39 1HB TYR 39 13.181 -11.837 -0.136 308 HB3 TYR 39 2HB TYR 39 13.019 -10.184 -0.708 309 HD1 TYR 39 HD1 TYR 39 13.431 -12.300 2.283 310 HD2 TYR 39 HD2 TYR 39 13.322 -8.345 0.753 311 HE1 TYR 39 HE1 TYR 39 14.368 -11.474 4.384 312 HE2 TYR 39 HE2 TYR 39 14.269 -7.491 2.862 313 HH TYR 39 HH TYR 39 14.384 -8.186 5.215 314 H ASN 40 H ASN 40 8.912 -10.707 -0.724 315 HA ASN 40 HA ASN 40 9.177 -12.154 -3.190 316 HB2 ASN 40 1HB ASN 40 7.121 -12.115 -1.606 317 HB3 ASN 40 2HB ASN 40 6.803 -10.518 -2.259 318 HD21 ASN 40 2HD2 ASN 40 4.876 -11.193 -3.090 319 HD22 ASN 40 1HD2 ASN 40 4.693 -12.222 -4.461 320 H GLY 41 H GLY 41 10.053 -11.214 -4.736 321 HA2 GLY 41 1HA GLY 41 11.042 -8.609 -4.786 322 HA3 GLY 41 2HA GLY 41 11.014 -9.685 -6.156 323 H LYS 42 H LYS 42 8.359 -9.791 -6.805 324 HA LYS 42 HA LYS 42 8.201 -7.170 -7.984 325 HB2 LYS 42 1HB LYS 42 7.917 -9.064 -9.441 326 HB3 LYS 42 2HB LYS 42 6.565 -9.649 -8.482 327 HG2 LYS 42 1HG LYS 42 5.797 -8.622 -10.523 328 HG3 LYS 42 2HG LYS 42 5.271 -7.669 -9.131 329 HD2 LYS 42 1HD LYS 42 7.196 -6.157 -9.530 330 HD3 LYS 42 2HD LYS 42 7.551 -7.066 -11.000 331 HE2 LYS 42 1HE LYS 42 5.015 -5.571 -10.375 332 HE3 LYS 42 2HE LYS 42 6.265 -5.078 -11.512 333 HZ1 LYS 42 3HZ LYS 42 5.749 -7.088 -12.831 334 HZ2 LYS 42 1HZ LYS 42 4.417 -6.076 -12.637 335 HZ3 LYS 42 2HZ LYS 42 4.533 -7.475 -11.735 336 H VAL 43 H VAL 43 6.037 -9.175 -6.018 337 HA VAL 43 HA VAL 43 4.548 -6.721 -5.442 338 HB VAL 43 HB VAL 43 2.431 -7.965 -5.409 339 HG11 VAL 43 1HG1 VAL 43 3.089 -6.771 -7.469 340 HG12 VAL 43 2HG1 VAL 43 2.069 -8.171 -7.777 341 HG13 VAL 43 3HG1 VAL 43 3.797 -8.278 -8.070 342 HG21 VAL 43 3HG2 VAL 43 4.029 -10.260 -6.531 343 HG22 VAL 43 1HG2 VAL 43 2.270 -10.212 -6.400 344 HG23 VAL 43 2HG2 VAL 43 3.266 -10.200 -4.943 345 H LEU 44 H LEU 44 3.219 -6.919 -3.542 346 HA LEU 44 HA LEU 44 4.154 -8.880 -1.580 347 HB2 LEU 44 1HB LEU 44 5.323 -6.812 -1.120 348 HB3 LEU 44 2HB LEU 44 3.841 -5.892 -1.243 349 HG LEU 44 HG LEU 44 3.016 -6.949 0.811 350 HD11 LEU 44 1HD1 LEU 44 5.726 -8.262 0.928 351 HD12 LEU 44 2HD1 LEU 44 4.187 -9.070 0.638 352 HD13 LEU 44 3HD1 LEU 44 4.497 -8.304 2.194 353 HD21 LEU 44 3HD2 LEU 44 4.216 -4.835 0.931 354 HD22 LEU 44 1HD2 LEU 44 5.748 -5.696 1.075 355 HD23 LEU 44 2HD2 LEU 44 4.543 -5.818 2.356 356 H SER 45 H SER 45 2.431 -9.852 -0.607 357 HA SER 45 HA SER 45 -0.150 -8.590 -1.094 358 HB2 SER 45 1HB SER 45 -1.107 -10.887 -0.647 359 HB3 SER 45 2HB SER 45 -0.108 -10.762 -2.094 360 HG SER 45 HG SER 45 1.331 -11.395 0.128 361 H ILE 46 H ILE 46 -1.099 -7.655 0.480 362 HA ILE 46 HA ILE 46 -0.436 -8.402 3.248 363 HB ILE 46 HB ILE 46 -0.871 -6.037 3.853 364 HG12 ILE 46 1HG1 ILE 46 -0.910 -5.544 0.854 365 HG13 ILE 46 2HG1 ILE 46 -2.303 -5.437 1.922 366 HG21 ILE 46 1HG2 ILE 46 1.239 -5.102 3.016 367 HG22 ILE 46 2HG2 ILE 46 1.326 -6.404 1.835 368 HG23 ILE 46 3HG2 ILE 46 1.420 -6.773 3.558 369 HD11 ILE 46 3HD1 ILE 46 -1.255 -3.559 3.092 370 HD12 ILE 46 1HD1 ILE 46 -1.441 -3.235 1.368 371 HD13 ILE 46 2HD1 ILE 46 0.138 -3.677 2.017 372 H ARG 47 H ARG 47 -2.283 -7.586 4.738 373 HA ARG 47 HA ARG 47 -4.794 -8.320 3.386 374 HB2 ARG 47 1HB ARG 47 -4.256 -8.216 6.352 375 HB3 ARG 47 2HB ARG 47 -5.746 -8.729 5.615 376 HG2 ARG 47 1HG ARG 47 -4.762 -10.727 6.251 377 HG3 ARG 47 2HG ARG 47 -4.267 -10.605 4.566 378 HD2 ARG 47 1HD ARG 47 -2.413 -11.285 6.039 379 HD3 ARG 47 2HD ARG 47 -2.091 -9.746 5.244 380 HE ARG 47 HE ARG 47 -3.188 -8.977 7.583 381 HH11 ARG 47 1HH1 ARG 47 -0.633 -11.348 7.011 382 HH12 ARG 47 2HH1 ARG 47 0.308 -10.887 8.345 383 HH21 ARG 47 1HH2 ARG 47 -1.963 -8.305 9.351 384 HH22 ARG 47 2HH2 ARG 47 -0.462 -9.031 9.743 385 H GLN 48 H GLN 48 -6.712 -7.262 4.672 386 HA GLN 48 HA GLN 48 -6.534 -4.473 4.235 387 HB2 GLN 48 1HB GLN 48 -8.846 -4.304 5.033 388 HB3 GLN 48 2HB GLN 48 -8.689 -5.651 3.922 389 HG2 GLN 48 1HG GLN 48 -8.716 -5.921 6.925 390 HG3 GLN 48 2HG GLN 48 -10.137 -6.088 5.899 391 HE21 GLN 48 2HE2 GLN 48 -8.748 -7.491 3.764 392 HE22 GLN 48 1HE2 GLN 48 -8.418 -9.062 4.357 393 H ASP 49 H ASP 49 -5.946 -6.468 7.016 394 HA ASP 49 HA ASP 49 -6.196 -4.367 8.927 395 HB2 ASP 49 1HB ASP 49 -5.119 -5.853 10.537 396 HB3 ASP 49 2HB ASP 49 -6.310 -6.758 9.623 397 H ASP 50 H ASP 50 -3.709 -5.446 6.776 398 HA ASP 50 HA ASP 50 -1.637 -3.822 7.937 399 HB2 ASP 50 1HB ASP 50 -1.899 -4.946 5.137 400 HB3 ASP 50 2HB ASP 50 -0.455 -4.161 5.752 401 H LEU 51 H LEU 51 -3.883 -3.625 5.268 402 HA LEU 51 HA LEU 51 -3.285 -1.158 4.140 403 HB2 LEU 51 1HB LEU 51 -4.858 -2.814 3.200 404 HB3 LEU 51 2HB LEU 51 -5.998 -2.429 4.469 405 HG LEU 51 HG LEU 51 -6.084 -0.082 3.551 406 HD11 LEU 51 1HD1 LEU 51 -4.030 -0.052 2.306 407 HD12 LEU 51 2HD1 LEU 51 -5.394 0.239 1.228 408 HD13 LEU 51 3HD1 LEU 51 -4.613 -1.342 1.252 409 HD21 LEU 51 3HD2 LEU 51 -7.593 -0.674 1.721 410 HD22 LEU 51 1HD2 LEU 51 -7.853 -1.699 3.131 411 HD23 LEU 51 2HD2 LEU 51 -6.969 -2.321 1.736 412 H ARG 52 H ARG 52 -5.591 -1.869 6.752 413 HA ARG 52 HA ARG 52 -6.519 0.728 7.208 414 HB2 ARG 52 1HB ARG 52 -7.578 -1.296 8.155 415 HB3 ARG 52 2HB ARG 52 -6.195 -1.521 9.215 416 HG2 ARG 52 1HG ARG 52 -6.723 0.622 10.320 417 HG3 ARG 52 2HG ARG 52 -8.133 0.789 9.274 418 HD2 ARG 52 1HD ARG 52 -7.656 -1.463 11.234 419 HD3 ARG 52 2HD ARG 52 -8.711 -0.083 11.508 420 HE ARG 52 HE ARG 52 -9.651 -1.183 9.203 421 HH11 ARG 52 1HH1 ARG 52 -9.231 -2.346 12.525 422 HH12 ARG 52 2HH1 ARG 52 -10.424 -3.555 12.410 423 HH21 ARG 52 1HH2 ARG 52 -11.281 -2.816 9.051 424 HH22 ARG 52 2HH2 ARG 52 -11.614 -3.848 10.375 425 H THR 53 H THR 53 -3.711 -0.960 8.440 426 HA THR 53 HA THR 53 -2.919 0.991 10.302 427 HB THR 53 HB THR 53 -1.308 -1.166 8.909 428 HG1 THR 53 HG1 THR 53 -2.655 -2.328 10.085 429 HG21 THR 53 3HG2 THR 53 -0.760 0.347 11.482 430 HG22 THR 53 1HG2 THR 53 0.143 0.525 9.977 431 HG23 THR 53 2HG2 THR 53 0.200 -0.999 10.866 432 H LEU 54 H LEU 54 -2.283 0.538 6.867 433 HA LEU 54 HA LEU 54 -0.209 2.399 6.505 434 HB2 LEU 54 1HB LEU 54 -2.479 1.698 4.643 435 HB3 LEU 54 2HB LEU 54 -1.049 2.591 4.174 436 HG LEU 54 HG LEU 54 -1.087 -0.277 5.116 437 HD11 LEU 54 1HD1 LEU 54 -0.571 -0.814 2.791 438 HD12 LEU 54 2HD1 LEU 54 -0.646 0.893 2.368 439 HD13 LEU 54 3HD1 LEU 54 -2.105 0.055 2.887 440 HD21 LEU 54 3HD2 LEU 54 1.122 1.459 4.059 441 HD22 LEU 54 1HD2 LEU 54 1.230 -0.279 4.338 442 HD23 LEU 54 2HD2 LEU 54 0.965 0.808 5.692 443 H ALA 55 H ALA 55 -3.690 2.766 6.534 444 HA ALA 55 HA ALA 55 -3.844 5.487 5.851 445 HB1 ALA 55 3HB ALA 55 -6.114 5.381 6.738 446 HB2 ALA 55 1HB ALA 55 -5.739 3.860 7.546 447 HB3 ALA 55 2HB ALA 55 -5.756 3.938 5.786 448 H VAL 56 H VAL 56 -3.218 3.875 8.858 449 HA VAL 56 HA VAL 56 -3.698 6.135 10.545 450 HB VAL 56 HB VAL 56 -2.288 3.497 11.062 451 HG11 VAL 56 1HG1 VAL 56 -1.513 5.179 12.645 452 HG12 VAL 56 2HG1 VAL 56 -2.551 3.998 13.447 453 HG13 VAL 56 3HG1 VAL 56 -3.182 5.590 13.029 454 HG21 VAL 56 3HG2 VAL 56 -4.348 2.892 12.241 455 HG22 VAL 56 1HG2 VAL 56 -4.644 3.231 10.535 456 HG23 VAL 56 2HG2 VAL 56 -5.068 4.430 11.758 457 H ILE 57 H ILE 57 -0.899 4.536 9.156 458 HA ILE 57 HA ILE 57 1.020 6.126 10.529 459 HB ILE 57 HB ILE 57 1.465 4.505 8.005 460 HG12 ILE 57 1HG1 ILE 57 1.656 3.690 10.925 461 HG13 ILE 57 2HG1 ILE 57 0.471 3.160 9.728 462 HG21 ILE 57 1HG2 ILE 57 3.394 5.449 10.148 463 HG22 ILE 57 2HG2 ILE 57 3.289 6.078 8.507 464 HG23 ILE 57 3HG2 ILE 57 3.810 4.414 8.781 465 HD11 ILE 57 3HD1 ILE 57 2.196 2.023 8.478 466 HD12 ILE 57 1HD1 ILE 57 2.193 1.469 10.151 467 HD13 ILE 57 2HD1 ILE 57 3.425 2.603 9.600 468 H TYR 58 H TYR 58 -0.375 6.293 7.268 469 HA TYR 58 HA TYR 58 1.353 8.583 6.667 470 HB2 TYR 58 1HB TYR 58 -0.769 7.414 4.860 471 HB3 TYR 58 2HB TYR 58 0.611 8.394 4.382 472 HD1 TYR 58 HD2 TYR 58 2.719 6.963 6.051 473 HD2 TYR 58 HD1 TYR 58 -0.393 5.495 3.555 474 HE1 TYR 58 HE2 TYR 58 3.946 4.859 5.760 475 HE2 TYR 58 HE1 TYR 58 0.840 3.395 3.267 476 HH TYR 58 HH TYR 58 3.073 2.563 3.457 477 H ASP 59 H ASP 59 -1.309 8.094 8.251 478 HA ASP 59 HA ASP 59 -3.172 9.103 8.821 479 HB2 ASP 59 1HB ASP 59 -1.532 10.457 10.018 480 HB3 ASP 59 2HB ASP 59 -1.452 11.576 8.662 481 H GLN 60 H GLN 60 -3.981 8.430 6.910 482 HA GLN 60 HA GLN 60 -5.386 10.611 5.576 483 HB2 GLN 60 1HB GLN 60 -4.216 8.183 4.181 484 HB3 GLN 60 2HB GLN 60 -5.339 9.312 3.443 485 HG2 GLN 60 1HG GLN 60 -3.652 11.100 3.677 486 HG3 GLN 60 2HG GLN 60 -2.534 9.922 4.362 487 HE21 GLN 60 2HE2 GLN 60 -3.443 7.813 2.534 488 HE22 GLN 60 1HE2 GLN 60 -2.741 8.202 1.002 489 H SER 61 H SER 61 -7.553 10.049 5.246 490 HA SER 61 HA SER 61 -8.640 8.101 6.883 491 HB2 SER 61 1HB SER 61 -9.830 9.378 4.433 492 HB3 SER 61 2HB SER 61 -10.696 8.793 5.860 493 HG SER 61 HG SER 61 -10.448 10.742 6.578 494 HA PRO 62 HA PRO 62 -7.864 4.248 4.754 495 HB2 PRO 62 1HB PRO 62 -10.757 3.779 5.344 496 HB3 PRO 62 2HB PRO 62 -9.381 2.688 5.566 497 HG2 PRO 62 1HG PRO 62 -10.348 3.968 7.656 498 HG3 PRO 62 2HG PRO 62 -8.593 3.863 7.433 499 HD2 PRO 62 1HD PRO 62 -10.420 6.186 6.998 500 HD3 PRO 62 2HD PRO 62 -8.749 6.148 7.596 501 H SER 63 H SER 63 -10.966 5.814 3.877 502 HA SER 63 HA SER 63 -11.365 4.511 1.465 503 HB2 SER 63 1HB SER 63 -12.133 7.360 2.078 504 HB3 SER 63 2HB SER 63 -12.971 6.199 1.052 505 HG SER 63 HG SER 63 -13.924 5.428 2.712 506 H VAL 64 H VAL 64 -9.966 7.815 1.985 507 HA VAL 64 HA VAL 64 -9.153 8.030 -0.696 508 HB VAL 64 HB VAL 64 -9.526 10.045 0.700 509 HG11 VAL 64 1HG1 VAL 64 -7.845 10.848 2.265 510 HG12 VAL 64 2HG1 VAL 64 -6.938 9.352 2.047 511 HG13 VAL 64 3HG1 VAL 64 -8.535 9.306 2.790 512 HG21 VAL 64 3HG2 VAL 64 -6.749 9.897 -0.455 513 HG22 VAL 64 1HG2 VAL 64 -7.638 11.376 -0.098 514 HG23 VAL 64 2HG2 VAL 64 -8.228 10.267 -1.337 515 H LEU 65 H LEU 65 -7.580 6.723 2.104 516 HA LEU 65 HA LEU 65 -4.945 6.547 1.166 517 HB2 LEU 65 1HB LEU 65 -5.686 6.033 3.488 518 HB3 LEU 65 2HB LEU 65 -6.471 4.588 2.912 519 HG LEU 65 HG LEU 65 -4.339 4.222 4.152 520 HD11 LEU 65 1HD1 LEU 65 -4.325 3.213 1.327 521 HD12 LEU 65 2HD1 LEU 65 -5.117 2.466 2.714 522 HD13 LEU 65 3HD1 LEU 65 -3.357 2.567 2.649 523 HD21 LEU 65 3HD2 LEU 65 -3.050 6.108 3.397 524 HD22 LEU 65 1HD2 LEU 65 -3.061 5.493 1.743 525 HD23 LEU 65 2HD2 LEU 65 -2.211 4.609 3.004 526 H THR 66 H THR 66 -7.639 4.255 0.842 527 HA THR 66 HA THR 66 -6.316 2.419 -0.793 528 HB THR 66 HB THR 66 -9.288 3.035 -0.680 529 HG1 THR 66 HG1 THR 66 -8.677 2.581 1.407 530 HG21 THR 66 3HG2 THR 66 -8.643 1.521 -2.517 531 HG22 THR 66 1HG2 THR 66 -9.545 0.654 -1.276 532 HG23 THR 66 2HG2 THR 66 -7.789 0.492 -1.371 533 H GLU 67 H GLU 67 -8.246 5.310 -1.521 534 HA GLU 67 HA GLU 67 -8.395 5.049 -4.305 535 HB2 GLU 67 1HB GLU 67 -8.387 7.506 -2.569 536 HB3 GLU 67 2HB GLU 67 -8.654 7.555 -4.303 537 HG2 GLU 67 1HG GLU 67 -10.360 6.027 -2.358 538 HG3 GLU 67 2HG GLU 67 -10.733 7.631 -2.989 539 H GLN 68 H GLN 68 -5.955 6.654 -2.278 540 HA GLN 68 HA GLN 68 -4.343 7.734 -4.247 541 HB2 GLN 68 1HB GLN 68 -3.685 6.566 -1.562 542 HB3 GLN 68 2HB GLN 68 -2.500 7.419 -2.547 543 HG2 GLN 68 1HG GLN 68 -5.063 8.586 -1.460 544 HG3 GLN 68 2HG GLN 68 -3.484 8.774 -0.718 545 HE21 GLN 68 2HE2 GLN 68 -3.494 10.976 -0.870 546 HE22 GLN 68 1HE2 GLN 68 -3.351 11.829 -2.360 547 H LEU 69 H LEU 69 -4.016 4.584 -2.633 548 HA LEU 69 HA LEU 69 -1.856 3.633 -4.096 549 HB2 LEU 69 1HB LEU 69 -4.019 2.314 -2.522 550 HB3 LEU 69 2HB LEU 69 -2.949 1.329 -3.492 551 HG LEU 69 HG LEU 69 -2.272 1.390 -1.156 552 HD11 LEU 69 1HD1 LEU 69 0.067 1.933 -1.485 553 HD12 LEU 69 2HD1 LEU 69 -0.329 2.781 -2.976 554 HD13 LEU 69 3HD1 LEU 69 -0.595 1.040 -2.852 555 HD21 LEU 69 3HD2 LEU 69 -1.317 3.414 -0.150 556 HD22 LEU 69 1HD2 LEU 69 -3.026 3.631 -0.533 557 HD23 LEU 69 2HD2 LEU 69 -1.792 4.341 -1.573 558 H ILE 70 H ILE 70 -5.297 3.311 -4.769 559 HA ILE 70 HA ILE 70 -4.986 1.695 -7.068 560 HB ILE 70 HB ILE 70 -7.275 3.501 -6.223 561 HG12 ILE 70 1HG1 ILE 70 -6.961 0.495 -6.061 562 HG13 ILE 70 2HG1 ILE 70 -6.717 1.598 -4.717 563 HG21 ILE 70 1HG2 ILE 70 -8.668 2.259 -7.832 564 HG22 ILE 70 2HG2 ILE 70 -7.237 1.406 -8.409 565 HG23 ILE 70 3HG2 ILE 70 -7.377 3.149 -8.642 566 HD11 ILE 70 3HD1 ILE 70 -8.889 0.501 -4.625 567 HD12 ILE 70 1HD1 ILE 70 -9.307 1.175 -6.200 568 HD13 ILE 70 2HD1 ILE 70 -9.063 2.248 -4.821 569 H SER 71 H SER 71 -5.148 5.194 -6.598 570 HA SER 71 HA SER 71 -5.294 5.895 -9.329 571 HB2 SER 71 1HB SER 71 -4.230 7.519 -7.007 572 HB3 SER 71 2HB SER 71 -4.694 8.153 -8.587 573 HG SER 71 HG SER 71 -6.335 6.911 -6.650 574 H TRP 72 H TRP 72 -2.592 5.191 -7.211 575 HA TRP 72 HA TRP 72 -0.617 6.134 -9.088 576 HB2 TRP 72 1HB TRP 72 -0.239 4.260 -6.749 577 HB3 TRP 72 2HB TRP 72 1.032 5.120 -7.606 578 HD1 TRP 72 HD1 TRP 72 -0.730 7.976 -7.465 579 HE1 TRP 72 HE1 TRP 72 -0.688 9.223 -5.222 580 HE3 TRP 72 HE3 TRP 72 0.774 4.150 -4.447 581 HZ2 TRP 72 HZ2 TRP 72 -0.078 8.660 -2.518 582 HZ3 TRP 72 HZ3 TRP 72 1.076 4.588 -2.045 583 HH2 TRP 72 HH2 TRP 72 0.662 6.799 -1.105 584 H GLY 73 H GLY 73 -2.522 3.347 -8.789 585 HA2 GLY 73 1HA GLY 73 -2.636 1.487 -10.145 586 HA3 GLY 73 2HA GLY 73 -1.190 2.056 -10.976 587 H VAL 74 H VAL 74 -1.177 1.819 -7.578 588 HA VAL 74 HA VAL 74 0.867 -0.271 -7.744 589 HB VAL 74 HB VAL 74 0.022 1.431 -5.359 590 HG11 VAL 74 1HG1 VAL 74 1.067 -0.682 -4.694 591 HG12 VAL 74 2HG1 VAL 74 2.099 0.697 -4.317 592 HG13 VAL 74 3HG1 VAL 74 2.456 -0.318 -5.717 593 HG21 VAL 74 3HG2 VAL 74 1.024 2.727 -7.198 594 HG22 VAL 74 1HG2 VAL 74 2.452 1.704 -7.108 595 HG23 VAL 74 2HG2 VAL 74 2.022 2.730 -5.740 596 H LEU 75 H LEU 75 -2.388 0.236 -6.838 597 HA LEU 75 HA LEU 75 -2.545 -2.439 -5.650 598 HB2 LEU 75 1HB LEU 75 -2.777 -0.658 -3.976 599 HB3 LEU 75 2HB LEU 75 -4.082 0.054 -4.903 600 HG LEU 75 HG LEU 75 -5.413 -2.016 -4.477 601 HD11 LEU 75 1HD1 LEU 75 -4.699 -3.494 -2.685 602 HD12 LEU 75 2HD1 LEU 75 -3.134 -2.679 -2.622 603 HD13 LEU 75 3HD1 LEU 75 -3.609 -3.577 -4.067 604 HD21 LEU 75 3HD2 LEU 75 -5.732 -0.012 -3.125 605 HD22 LEU 75 1HD2 LEU 75 -4.435 -0.522 -2.045 606 HD23 LEU 75 2HD2 LEU 75 -5.922 -1.463 -2.144 607 H ASP 76 H ASP 76 -4.557 -3.522 -6.100 608 HA ASP 76 HA ASP 76 -5.639 -3.112 -8.699 609 HB2 ASP 76 1HB ASP 76 -6.769 -4.762 -6.412 610 HB3 ASP 76 2HB ASP 76 -7.259 -4.872 -8.090 611 H ALA 77 H ALA 77 -7.735 -2.391 -9.235 612 HA ALA 77 HA ALA 77 -8.785 -0.316 -7.590 613 HB1 ALA 77 3HB ALA 77 -9.983 -1.608 -10.052 614 HB2 ALA 77 1HB ALA 77 -8.915 -0.203 -10.042 615 HB3 ALA 77 2HB ALA 77 -10.519 -0.101 -9.315 616 H ASP 78 H ASP 78 -9.824 -3.505 -8.524 617 HA ASP 78 HA ASP 78 -12.214 -3.718 -7.127 618 HB2 ASP 78 1HB ASP 78 -12.063 -6.131 -7.382 619 HB3 ASP 78 2HB ASP 78 -11.586 -5.333 -8.866 620 H ALA 79 H ALA 79 -9.053 -3.737 -5.909 621 HA ALA 79 HA ALA 79 -9.176 -5.244 -3.572 622 HB1 ALA 79 3HB ALA 79 -7.781 -2.616 -4.017 623 HB2 ALA 79 1HB ALA 79 -7.119 -4.208 -4.367 624 HB3 ALA 79 2HB ALA 79 -7.443 -3.729 -2.696 625 H ARG 80 H ARG 80 -10.656 -2.257 -4.319 626 HA ARG 80 HA ARG 80 -11.303 -1.182 -1.835 627 HB2 ARG 80 1HB ARG 80 -13.193 -0.120 -2.973 628 HB3 ARG 80 2HB ARG 80 -11.716 -0.016 -3.921 629 HG2 ARG 80 1HG ARG 80 -12.485 -1.916 -5.297 630 HG3 ARG 80 2HG ARG 80 -13.987 -1.950 -4.374 631 HD2 ARG 80 1HD ARG 80 -12.960 0.367 -5.976 632 HD3 ARG 80 2HD ARG 80 -14.162 -0.771 -6.523 633 HE ARG 80 HE ARG 80 -15.459 -0.091 -4.446 634 HH11 ARG 80 1HH1 ARG 80 -13.437 2.227 -6.232 635 HH12 ARG 80 2HH1 ARG 80 -14.424 3.555 -5.860 636 HH21 ARG 80 1HH2 ARG 80 -16.792 1.752 -3.947 637 HH22 ARG 80 2HH2 ARG 80 -16.372 3.288 -4.540 638 H ARG 81 H ARG 81 -12.510 -4.098 -3.318 639 HA ARG 81 HA ARG 81 -14.950 -4.131 -1.880 640 HB2 ARG 81 1HB ARG 81 -14.775 -5.377 -3.984 641 HB3 ARG 81 2HB ARG 81 -13.508 -6.388 -3.304 642 HG2 ARG 81 1HG ARG 81 -15.643 -7.560 -3.363 643 HG3 ARG 81 2HG ARG 81 -15.093 -7.319 -1.701 644 HD2 ARG 81 1HD ARG 81 -16.571 -5.190 -1.760 645 HD3 ARG 81 2HD ARG 81 -17.308 -5.930 -3.178 646 HE ARG 81 HE ARG 81 -17.293 -7.849 -1.235 647 HH11 ARG 81 1HH1 ARG 81 -18.780 -4.672 -1.702 648 HH12 ARG 81 2HH1 ARG 81 -19.997 -4.906 -0.537 649 HH21 ARG 81 1HH2 ARG 81 -18.961 -8.168 0.355 650 HH22 ARG 81 2HH2 ARG 81 -20.091 -6.942 0.686 651 H ALA 82 H ALA 82 -11.709 -4.907 -1.058 652 HA ALA 82 HA ALA 82 -12.200 -6.832 0.968 653 HB1 ALA 82 3HB ALA 82 -9.949 -6.272 1.777 654 HB2 ALA 82 1HB ALA 82 -9.911 -4.878 0.699 655 HB3 ALA 82 2HB ALA 82 -9.978 -6.518 0.035 656 H VAL 83 H VAL 83 -12.449 -3.409 0.811 657 HA VAL 83 HA VAL 83 -13.907 -3.404 3.204 658 HB VAL 83 HB VAL 83 -11.751 -3.094 4.242 659 HG11 VAL 83 1HG1 VAL 83 -11.278 -0.770 2.383 660 HG12 VAL 83 2HG1 VAL 83 -10.420 -2.313 2.388 661 HG13 VAL 83 3HG1 VAL 83 -10.252 -1.205 3.750 662 HG21 VAL 83 3HG2 VAL 83 -13.245 -0.473 4.142 663 HG22 VAL 83 1HG2 VAL 83 -12.043 -0.904 5.357 664 HG23 VAL 83 2HG2 VAL 83 -13.548 -1.816 5.244 665 H ALA 84 H ALA 84 -15.562 -2.884 1.990 666 HA ALA 84 HA ALA 84 -15.443 -0.641 0.181 667 HB1 ALA 84 3HB ALA 84 -17.767 -1.200 -0.375 668 HB2 ALA 84 1HB ALA 84 -17.801 -2.388 0.927 669 HB3 ALA 84 2HB ALA 84 -16.744 -2.635 -0.461 670 H SER 85 H SER 85 -14.786 0.625 2.010 671 HA SER 85 HA SER 85 -15.029 2.354 3.384 672 HB2 SER 85 1HB SER 85 -17.982 2.286 2.695 673 HB3 SER 85 2HB SER 85 -17.092 3.642 3.399 674 HG SER 85 HG SER 85 -17.350 2.911 0.823 675 H HIS 86 H HIS 86 -18.122 0.704 4.003 676 HA HIS 86 HA HIS 86 -19.108 -0.110 5.853 677 HB2 HIS 86 1HB HIS 86 -16.291 -1.033 6.471 678 HB3 HIS 86 2HB HIS 86 -17.724 -1.589 7.323 679 HD1 HIS 86 HD1 HIS 86 -19.503 -2.964 5.718 680 HD2 HIS 86 HD2 HIS 86 -15.653 -2.395 4.255 681 HE1 HIS 86 HE1 HIS 86 -19.211 -4.615 3.833 682 H ASP 87 H ASP 87 -18.128 2.646 6.039 683 HA ASP 87 HA ASP 87 -17.465 2.880 8.857 684 HB2 ASP 87 1HB ASP 87 -16.311 4.389 7.264 685 HB3 ASP 87 2HB ASP 87 -17.858 5.063 6.778 686 H GLU 88 H GLU 88 -19.657 5.079 7.196 687 HA GLU 88 HA GLU 88 -22.069 3.927 7.725 688 HB2 GLU 88 1HB GLU 88 -21.400 4.186 10.160 689 HB3 GLU 88 2HB GLU 88 -21.476 5.928 9.909 690 HG2 GLU 88 1HG GLU 88 -23.511 4.997 10.932 691 HG3 GLU 88 2HG GLU 88 -23.817 5.806 9.389 692 H LEU 89 H LEU 89 -20.953 7.214 8.495 693 HA LEU 89 HA LEU 89 -22.917 8.172 6.558 694 HB2 LEU 89 1HB LEU 89 -23.112 8.928 8.911 695 HB3 LEU 89 2HB LEU 89 -21.523 9.643 8.792 696 HG LEU 89 HG LEU 89 -22.375 11.198 7.065 697 HD11 LEU 89 1HD1 LEU 89 -25.038 9.946 7.716 698 HD12 LEU 89 2HD1 LEU 89 -24.190 9.861 6.171 699 HD13 LEU 89 3HD1 LEU 89 -24.801 11.404 6.756 700 HD21 LEU 89 3HD2 LEU 89 -22.294 11.856 9.411 701 HD22 LEU 89 1HD2 LEU 89 -23.908 11.198 9.664 702 HD23 LEU 89 2HD2 LEU 89 -23.680 12.589 8.603 Start of MODEL 19 1 H1 MET 1 1H MET 1 -8.965 -14.492 -6.209 2 H2 MET 1 2H MET 1 -8.650 -14.442 -4.544 3 H3 MET 1 3H MET 1 -10.214 -14.590 -5.083 4 HA MET 1 HA MET 1 -9.871 -16.713 -5.932 5 HB2 MET 1 1HB MET 1 -7.045 -16.451 -4.857 6 HB3 MET 1 2HB MET 1 -7.746 -17.917 -5.521 7 HG2 MET 1 1HG MET 1 -7.202 -15.359 -7.010 8 HG3 MET 1 2HG MET 1 -6.287 -16.860 -7.134 9 HE1 MET 1 3HE MET 1 -7.441 -15.295 -9.662 10 HE2 MET 1 1HE MET 1 -8.064 -16.643 -10.614 11 HE3 MET 1 2HE MET 1 -6.524 -16.795 -9.764 12 H GLU 2 H GLU 2 -7.761 -16.397 -3.034 13 HA GLU 2 HA GLU 2 -9.541 -17.999 -1.550 14 HB2 GLU 2 1HB GLU 2 -7.366 -16.182 -0.476 15 HB3 GLU 2 2HB GLU 2 -8.129 -17.511 0.378 16 HG2 GLU 2 1HG GLU 2 -6.235 -18.568 -0.247 17 HG3 GLU 2 2HG GLU 2 -7.175 -18.858 -1.707 18 HA PRO 3 HA PRO 3 -12.717 -15.154 -0.319 19 HB2 PRO 3 1HB PRO 3 -12.354 -16.541 2.306 20 HB3 PRO 3 2HB PRO 3 -13.845 -16.148 1.440 21 HG2 PRO 3 1HG PRO 3 -12.861 -18.608 1.365 22 HG3 PRO 3 2HG PRO 3 -13.570 -17.875 -0.084 23 HD2 PRO 3 1HD PRO 3 -10.710 -18.375 0.576 24 HD3 PRO 3 2HD PRO 3 -11.528 -18.365 -1.000 25 HA PRO 4 HA PRO 4 -10.393 -12.913 3.455 26 HB2 PRO 4 1HB PRO 4 -7.676 -13.492 3.464 27 HB3 PRO 4 2HB PRO 4 -8.843 -14.158 4.607 28 HG2 PRO 4 1HG PRO 4 -7.752 -15.375 2.101 29 HG3 PRO 4 2HG PRO 4 -8.027 -16.130 3.684 30 HD2 PRO 4 1HD PRO 4 -9.731 -16.528 1.694 31 HD3 PRO 4 2HD PRO 4 -10.330 -16.264 3.347 32 HA PRO 5 HA PRO 5 -9.462 -10.287 -0.138 33 HB2 PRO 5 1HB PRO 5 -9.231 -8.300 2.070 34 HB3 PRO 5 2HB PRO 5 -10.132 -8.198 0.554 35 HG2 PRO 5 1HG PRO 5 -11.423 -8.653 2.817 36 HG3 PRO 5 2HG PRO 5 -11.868 -9.531 1.340 37 HD2 PRO 5 1HD PRO 5 -10.265 -10.468 3.689 38 HD3 PRO 5 2HD PRO 5 -11.504 -11.330 2.743 39 H LYS 6 H LYS 6 -7.540 -10.476 -0.973 40 HA LYS 6 HA LYS 6 -5.125 -10.001 0.593 41 HB2 LYS 6 1HB LYS 6 -5.462 -10.930 -2.263 42 HB3 LYS 6 2HB LYS 6 -3.958 -10.858 -1.372 43 HG2 LYS 6 1HG LYS 6 -6.284 -12.665 -0.759 44 HG3 LYS 6 2HG LYS 6 -4.805 -13.117 -1.597 45 HD2 LYS 6 1HD LYS 6 -3.544 -12.443 0.470 46 HD3 LYS 6 2HD LYS 6 -5.106 -12.277 1.280 47 HE2 LYS 6 1HE LYS 6 -4.183 -14.478 1.728 48 HE3 LYS 6 2HE LYS 6 -5.617 -14.624 0.710 49 HZ1 LYS 6 3HZ LYS 6 -2.786 -14.788 -0.184 50 HZ2 LYS 6 1HZ LYS 6 -4.092 -14.755 -1.232 51 HZ3 LYS 6 2HZ LYS 6 -3.922 -16.043 -0.214 52 H LEU 7 H LEU 7 -4.434 -7.943 0.584 53 HA LEU 7 HA LEU 7 -5.113 -6.275 -1.699 54 HB2 LEU 7 1HB LEU 7 -3.922 -5.583 0.984 55 HB3 LEU 7 2HB LEU 7 -4.356 -4.423 -0.261 56 HG LEU 7 HG LEU 7 -6.287 -6.209 1.224 57 HD11 LEU 7 1HD1 LEU 7 -7.046 -4.151 2.264 58 HD12 LEU 7 2HD1 LEU 7 -5.768 -3.264 1.431 59 HD13 LEU 7 3HD1 LEU 7 -5.356 -4.487 2.634 60 HD21 LEU 7 3HD2 LEU 7 -6.786 -4.013 -0.790 61 HD22 LEU 7 1HD2 LEU 7 -8.026 -4.845 0.149 62 HD23 LEU 7 2HD2 LEU 7 -7.073 -5.738 -1.031 63 H VAL 8 H VAL 8 -3.712 -6.403 -3.256 64 HA VAL 8 HA VAL 8 -1.031 -7.281 -2.651 65 HB VAL 8 HB VAL 8 -2.365 -6.879 -5.333 66 HG11 VAL 8 1HG1 VAL 8 0.199 -8.268 -4.589 67 HG12 VAL 8 2HG1 VAL 8 0.065 -6.753 -5.489 68 HG13 VAL 8 3HG1 VAL 8 -0.520 -8.261 -6.198 69 HG21 VAL 8 3HG2 VAL 8 -2.562 -9.320 -5.372 70 HG22 VAL 8 1HG2 VAL 8 -3.461 -8.618 -4.027 71 HG23 VAL 8 2HG2 VAL 8 -1.906 -9.394 -3.737 72 H LEU 9 H LEU 9 0.415 -5.894 -2.216 73 HA LEU 9 HA LEU 9 0.391 -3.186 -3.267 74 HB2 LEU 9 1HB LEU 9 0.757 -3.689 -0.838 75 HB3 LEU 9 2HB LEU 9 2.184 -4.594 -1.275 76 HG LEU 9 HG LEU 9 3.131 -2.440 -2.202 77 HD11 LEU 9 1HD1 LEU 9 1.050 -1.216 -2.445 78 HD12 LEU 9 2HD1 LEU 9 2.166 -0.357 -1.385 79 HD13 LEU 9 3HD1 LEU 9 0.811 -1.254 -0.701 80 HD21 LEU 9 3HD2 LEU 9 3.755 -1.589 0.010 81 HD22 LEU 9 1HD2 LEU 9 3.850 -3.347 -0.070 82 HD23 LEU 9 2HD2 LEU 9 2.486 -2.574 0.740 83 H ASP 10 H ASP 10 1.333 -3.103 -5.255 84 HA ASP 10 HA ASP 10 3.358 -4.983 -6.074 85 HB2 ASP 10 1HB ASP 10 1.690 -3.862 -7.628 86 HB3 ASP 10 2HB ASP 10 2.620 -2.386 -7.425 87 H LEU 11 H LEU 11 5.371 -4.826 -5.480 88 HA LEU 11 HA LEU 11 6.348 -2.608 -3.970 89 HB2 LEU 11 1HB LEU 11 7.774 -5.049 -4.995 90 HB3 LEU 11 2HB LEU 11 8.408 -3.924 -3.813 91 HG LEU 11 HG LEU 11 5.979 -5.677 -3.417 92 HD11 LEU 11 1HD1 LEU 11 8.779 -5.920 -2.337 93 HD12 LEU 11 2HD1 LEU 11 8.021 -6.983 -3.524 94 HD13 LEU 11 3HD1 LEU 11 7.408 -6.924 -1.872 95 HD21 LEU 11 3HD2 LEU 11 7.472 -3.875 -1.507 96 HD22 LEU 11 1HD2 LEU 11 6.166 -4.976 -1.067 97 HD23 LEU 11 2HD2 LEU 11 5.843 -3.611 -2.131 98 H GLU 12 H GLU 12 6.834 -3.829 -7.219 99 HA GLU 12 HA GLU 12 9.047 -2.081 -7.680 100 HB2 GLU 12 1HB GLU 12 7.526 -3.928 -9.508 101 HB3 GLU 12 2HB GLU 12 8.818 -2.888 -10.089 102 HG2 GLU 12 1HG GLU 12 10.362 -3.952 -8.497 103 HG3 GLU 12 2HG GLU 12 9.066 -5.027 -7.984 104 H ARG 13 H ARG 13 5.657 -2.133 -8.626 105 HA ARG 13 HA ARG 13 5.814 0.282 -10.064 106 HB2 ARG 13 1HB ARG 13 3.869 -1.143 -10.355 107 HB3 ARG 13 2HB ARG 13 3.445 -0.976 -8.661 108 HG2 ARG 13 1HG ARG 13 1.999 0.367 -10.130 109 HG3 ARG 13 2HG ARG 13 2.896 1.358 -8.983 110 HD2 ARG 13 1HD ARG 13 4.523 1.898 -10.747 111 HD3 ARG 13 2HD ARG 13 3.595 0.929 -11.891 112 HE ARG 13 HE ARG 13 1.718 2.542 -11.259 113 HH11 ARG 13 1HH1 ARG 13 5.143 3.588 -11.355 114 HH12 ARG 13 2HH1 ARG 13 4.740 5.165 -11.868 115 HH21 ARG 13 1HH2 ARG 13 1.257 4.678 -11.974 116 HH22 ARG 13 2HH2 ARG 13 2.509 5.804 -12.244 117 H LEU 14 H LEU 14 5.214 -0.409 -6.663 118 HA LEU 14 HA LEU 14 4.719 2.230 -5.842 119 HB2 LEU 14 1HB LEU 14 4.282 0.247 -4.462 120 HB3 LEU 14 2HB LEU 14 6.003 -0.038 -4.327 121 HG LEU 14 HG LEU 14 6.204 2.144 -3.136 122 HD11 LEU 14 1HD1 LEU 14 4.201 3.157 -2.214 123 HD12 LEU 14 2HD1 LEU 14 3.199 2.037 -3.135 124 HD13 LEU 14 3HD1 LEU 14 4.204 3.219 -3.976 125 HD21 LEU 14 3HD2 LEU 14 5.453 1.293 -1.046 126 HD22 LEU 14 1HD2 LEU 14 6.075 -0.043 -1.996 127 HD23 LEU 14 2HD2 LEU 14 4.326 0.174 -1.824 128 H ALA 15 H ALA 15 7.686 0.500 -6.532 129 HA ALA 15 HA ALA 15 9.451 2.368 -5.322 130 HB1 ALA 15 3HB ALA 15 10.022 0.338 -7.482 131 HB2 ALA 15 1HB ALA 15 10.098 0.037 -5.746 132 HB3 ALA 15 2HB ALA 15 11.224 1.169 -6.494 133 H THR 16 H THR 16 7.741 2.328 -8.271 134 HA THR 16 HA THR 16 9.447 4.422 -9.361 135 HB THR 16 HB THR 16 8.012 4.322 -11.409 136 HG1 THR 16 HG1 THR 16 6.509 2.642 -9.781 137 HG21 THR 16 3HG2 THR 16 10.036 2.959 -11.282 138 HG22 THR 16 1HG2 THR 16 8.777 2.111 -12.182 139 HG23 THR 16 2HG2 THR 16 9.125 1.661 -10.512 140 H VAL 17 H VAL 17 7.039 4.307 -7.204 141 HA VAL 17 HA VAL 17 5.643 6.693 -8.087 142 HB VAL 17 HB VAL 17 5.312 5.016 -5.552 143 HG11 VAL 17 1HG1 VAL 17 3.236 6.252 -5.163 144 HG12 VAL 17 2HG1 VAL 17 3.541 7.237 -6.588 145 HG13 VAL 17 3HG1 VAL 17 4.614 7.355 -5.191 146 HG21 VAL 17 3HG2 VAL 17 3.230 4.239 -6.573 147 HG22 VAL 17 1HG2 VAL 17 4.629 3.825 -7.562 148 HG23 VAL 17 2HG2 VAL 17 3.593 5.176 -8.024 149 HA PRO 18 HA PRO 18 8.507 9.621 -6.373 150 HB2 PRO 18 1HB PRO 18 5.949 10.774 -5.340 151 HB3 PRO 18 2HB PRO 18 7.319 11.596 -6.094 152 HG2 PRO 18 1HG PRO 18 5.123 11.044 -7.487 153 HG3 PRO 18 2HG PRO 18 6.730 10.914 -8.224 154 HD2 PRO 18 1HD PRO 18 4.847 8.774 -7.438 155 HD3 PRO 18 2HD PRO 18 6.155 8.745 -8.634 156 H ALA 19 H ALA 19 9.649 9.576 -4.588 157 HA ALA 19 HA ALA 19 8.983 8.082 -2.282 158 HB1 ALA 19 3HB ALA 19 11.104 8.894 -1.379 159 HB2 ALA 19 1HB ALA 19 11.201 10.099 -2.661 160 HB3 ALA 19 2HB ALA 19 11.293 8.383 -3.057 161 H GLU 20 H GLU 20 8.404 11.249 -3.197 162 HA GLU 20 HA GLU 20 8.180 12.739 -0.880 163 HB2 GLU 20 1HB GLU 20 6.308 12.783 -3.238 164 HB3 GLU 20 2HB GLU 20 6.602 14.095 -2.107 165 HG2 GLU 20 1HG GLU 20 8.894 14.282 -2.895 166 HG3 GLU 20 2HG GLU 20 8.636 12.929 -3.994 167 H LYS 21 H LYS 21 6.004 10.329 -2.239 168 HA LYS 21 HA LYS 21 4.341 10.594 0.172 169 HB2 LYS 21 1HB LYS 21 3.348 9.813 -2.579 170 HB3 LYS 21 2HB LYS 21 2.372 9.914 -1.120 171 HG2 LYS 21 1HG LYS 21 2.878 12.349 -1.006 172 HG3 LYS 21 2HG LYS 21 3.755 12.194 -2.524 173 HD2 LYS 21 1HD LYS 21 1.562 13.023 -3.050 174 HD3 LYS 21 2HD LYS 21 1.656 11.344 -3.563 175 HE2 LYS 21 1HE LYS 21 0.450 10.626 -1.568 176 HE3 LYS 21 2HE LYS 21 0.407 12.287 -0.987 177 HZ1 LYS 21 3HZ LYS 21 -0.807 11.400 -3.528 178 HZ2 LYS 21 1HZ LYS 21 -0.989 12.904 -2.812 179 HZ3 LYS 21 2HZ LYS 21 -1.680 11.515 -2.103 180 H ALA 22 H ALA 22 5.823 8.406 -2.166 181 HA ALA 22 HA ALA 22 4.764 6.076 -0.837 182 HB1 ALA 22 3HB ALA 22 5.963 4.818 -2.535 183 HB2 ALA 22 1HB ALA 22 6.752 6.294 -3.088 184 HB3 ALA 22 2HB ALA 22 5.008 6.108 -3.267 185 H GLY 23 H GLY 23 7.265 8.128 -0.186 186 HA2 GLY 23 1HA GLY 23 9.490 6.560 0.335 187 HA3 GLY 23 2HA GLY 23 9.094 8.045 1.179 188 HA PRO 24 HA PRO 24 8.168 5.889 4.944 189 HB2 PRO 24 1HB PRO 24 5.517 6.375 5.526 190 HB3 PRO 24 2HB PRO 24 6.815 7.530 5.813 191 HG2 PRO 24 1HG PRO 24 4.912 7.369 3.503 192 HG3 PRO 24 2HG PRO 24 5.452 8.797 4.404 193 HD2 PRO 24 1HD PRO 24 6.489 8.197 2.016 194 HD3 PRO 24 2HD PRO 24 7.511 8.848 3.317 195 H LEU 25 H LEU 25 6.008 5.279 2.297 196 HA LEU 25 HA LEU 25 4.949 2.876 3.433 197 HB2 LEU 25 1HB LEU 25 3.532 4.155 1.998 198 HB3 LEU 25 2HB LEU 25 4.676 4.094 0.688 199 HG LEU 25 HG LEU 25 4.196 1.716 0.343 200 HD11 LEU 25 1HD1 LEU 25 2.486 0.564 1.627 201 HD12 LEU 25 2HD1 LEU 25 2.324 1.968 2.687 202 HD13 LEU 25 3HD1 LEU 25 3.834 1.053 2.653 203 HD21 LEU 25 3HD2 LEU 25 1.665 3.311 0.664 204 HD22 LEU 25 1HD2 LEU 25 1.883 1.879 -0.339 205 HD23 LEU 25 2HD2 LEU 25 2.741 3.372 -0.731 206 H GLN 26 H GLN 26 7.470 3.682 1.108 207 HA GLN 26 HA GLN 26 8.193 1.058 0.415 208 HB2 GLN 26 1HB GLN 26 9.699 3.650 0.523 209 HB3 GLN 26 2HB GLN 26 10.554 2.151 0.208 210 HG2 GLN 26 1HG GLN 26 8.262 3.201 -1.433 211 HG3 GLN 26 2HG GLN 26 9.966 3.397 -1.837 212 HE21 GLN 26 2HE2 GLN 26 8.009 2.099 -3.385 213 HE22 GLN 26 1HE2 GLN 26 8.489 0.440 -3.559 214 H ARG 27 H ARG 27 8.897 3.039 3.155 215 HA ARG 27 HA ARG 27 10.898 1.411 4.355 216 HB2 ARG 27 1HB ARG 27 8.917 3.205 5.748 217 HB3 ARG 27 2HB ARG 27 10.414 2.589 6.412 218 HG2 ARG 27 1HG ARG 27 10.057 4.610 4.210 219 HG3 ARG 27 2HG ARG 27 10.726 4.876 5.820 220 HD2 ARG 27 1HD ARG 27 11.924 3.200 3.628 221 HD3 ARG 27 2HD ARG 27 12.483 4.788 4.130 222 HE ARG 27 HE ARG 27 12.480 2.943 6.286 223 HH11 ARG 27 1HH1 ARG 27 14.288 3.864 3.396 224 HH12 ARG 27 2HH1 ARG 27 15.782 3.300 3.979 225 HH21 ARG 27 1HH2 ARG 27 14.528 2.133 7.062 226 HH22 ARG 27 2HH2 ARG 27 15.920 2.308 6.097 227 H TYR 28 H TYR 28 7.458 1.734 4.874 228 HA TYR 28 HA TYR 28 7.063 -0.246 6.790 229 HB2 TYR 28 1HB TYR 28 5.391 1.491 6.000 230 HB3 TYR 28 2HB TYR 28 5.121 0.496 4.582 231 HD1 TYR 28 HD1 TYR 28 3.855 -1.610 4.771 232 HD2 TYR 28 HD2 TYR 28 4.556 0.845 8.156 233 HE1 TYR 28 HE1 TYR 28 2.114 -2.838 6.024 234 HE2 TYR 28 HE2 TYR 28 2.837 -0.384 9.417 235 HH TYR 28 HH TYR 28 1.517 -3.321 8.316 236 H ALA 29 H ALA 29 6.835 -0.447 3.258 237 HA ALA 29 HA ALA 29 6.244 -3.180 3.073 238 HB1 ALA 29 3HB ALA 29 6.874 -2.996 0.730 239 HB2 ALA 29 1HB ALA 29 7.672 -1.455 1.050 240 HB3 ALA 29 2HB ALA 29 5.923 -1.595 1.226 241 H ALA 30 H ALA 30 9.344 -1.477 3.157 242 HA ALA 30 HA ALA 30 11.002 -3.665 2.580 243 HB1 ALA 30 3HB ALA 30 11.614 -1.264 4.303 244 HB2 ALA 30 1HB ALA 30 11.815 -1.346 2.554 245 HB3 ALA 30 2HB ALA 30 12.806 -2.360 3.603 246 H THR 31 H THR 31 9.811 -2.384 5.663 247 HA THR 31 HA THR 31 11.115 -4.221 7.311 248 HB THR 31 HB THR 31 8.513 -2.724 7.778 249 HG1 THR 31 HG1 THR 31 9.851 -1.199 8.742 250 HG21 THR 31 3HG2 THR 31 8.983 -3.058 10.186 251 HG22 THR 31 1HG2 THR 31 10.390 -4.037 9.773 252 HG23 THR 31 2HG2 THR 31 8.771 -4.606 9.370 253 H ILE 32 H ILE 32 7.986 -4.409 5.662 254 HA ILE 32 HA ILE 32 7.240 -6.884 6.806 255 HB ILE 32 HB ILE 32 6.447 -5.844 4.068 256 HG12 ILE 32 1HG1 ILE 32 5.035 -5.546 6.731 257 HG13 ILE 32 2HG1 ILE 32 5.867 -4.260 5.865 258 HG21 ILE 32 1HG2 ILE 32 5.176 -7.931 5.856 259 HG22 ILE 32 2HG2 ILE 32 6.008 -8.233 4.332 260 HG23 ILE 32 3HG2 ILE 32 4.487 -7.338 4.345 261 HD11 ILE 32 3HD1 ILE 32 3.448 -5.758 4.892 262 HD12 ILE 32 1HD1 ILE 32 4.271 -4.450 4.039 263 HD13 ILE 32 2HD1 ILE 32 3.472 -4.133 5.577 264 H GLN 33 H GLN 33 8.851 -6.055 3.769 265 HA GLN 33 HA GLN 33 9.099 -8.651 2.847 266 HB2 GLN 33 1HB GLN 33 10.526 -6.144 2.138 267 HB3 GLN 33 2HB GLN 33 11.087 -7.672 1.471 268 HG2 GLN 33 1HG GLN 33 8.296 -6.561 1.226 269 HG3 GLN 33 2HG GLN 33 9.528 -6.552 -0.039 270 HE21 GLN 33 2HE2 GLN 33 10.528 -9.196 0.651 271 HE22 GLN 33 1HE2 GLN 33 9.362 -10.347 0.127 272 H SER 34 H SER 34 11.267 -7.006 5.078 273 HA SER 34 HA SER 34 13.211 -9.033 4.887 274 HB2 SER 34 1HB SER 34 13.795 -7.990 7.249 275 HB3 SER 34 2HB SER 34 14.135 -7.113 5.760 276 HG SER 34 HG SER 34 12.208 -6.684 7.723 277 H GLN 35 H GLN 35 10.546 -8.480 7.167 278 HA GLN 35 HA GLN 35 11.165 -10.852 8.647 279 HB2 GLN 35 1HB GLN 35 9.124 -10.360 9.923 280 HB3 GLN 35 2HB GLN 35 10.164 -8.951 9.774 281 HG2 GLN 35 1HG GLN 35 8.725 -8.191 7.890 282 HG3 GLN 35 2HG GLN 35 7.634 -9.516 8.262 283 HE21 GLN 35 2HE2 GLN 35 9.354 -7.664 10.690 284 HE22 GLN 35 1HE2 GLN 35 7.974 -6.886 11.337 285 H ARG 36 H ARG 36 9.356 -10.204 5.836 286 HA ARG 36 HA ARG 36 7.616 -12.462 5.923 287 HB2 ARG 36 1HB ARG 36 7.162 -10.493 4.502 288 HB3 ARG 36 2HB ARG 36 8.630 -10.810 3.594 289 HG2 ARG 36 1HG ARG 36 7.650 -12.963 2.860 290 HG3 ARG 36 2HG ARG 36 6.157 -12.515 3.687 291 HD2 ARG 36 1HD ARG 36 5.950 -10.547 2.259 292 HD3 ARG 36 2HD ARG 36 7.455 -10.968 1.440 293 HE ARG 36 HE ARG 36 5.529 -13.062 1.406 294 HH11 ARG 36 1HH1 ARG 36 6.504 -10.084 -0.346 295 HH12 ARG 36 2HH1 ARG 36 5.800 -10.550 -1.810 296 HH21 ARG 36 1HH2 ARG 36 4.560 -13.685 -0.648 297 HH22 ARG 36 2HH2 ARG 36 4.652 -12.643 -1.977 298 H GLY 37 H GLY 37 10.898 -11.828 5.043 299 HA2 GLY 37 1HA GLY 37 12.625 -13.253 4.565 300 HA3 GLY 37 2HA GLY 37 11.506 -14.599 4.730 301 H ASP 38 H ASP 38 9.694 -14.150 2.889 302 HA ASP 38 HA ASP 38 10.930 -15.006 0.469 303 HB2 ASP 38 1HB ASP 38 8.065 -14.141 0.909 304 HB3 ASP 38 2HB ASP 38 8.670 -14.968 -0.512 305 H TYR 39 H TYR 39 12.148 -13.505 -0.548 306 HA TYR 39 HA TYR 39 10.856 -10.950 -1.085 307 HB2 TYR 39 1HB TYR 39 13.138 -10.861 -0.042 308 HB3 TYR 39 2HB TYR 39 13.775 -11.636 -1.485 309 HD1 TYR 39 HD1 TYR 39 12.363 -8.528 -0.124 310 HD2 TYR 39 HD2 TYR 39 14.015 -10.390 -3.567 311 HE1 TYR 39 HE1 TYR 39 12.623 -6.323 -1.186 312 HE2 TYR 39 HE2 TYR 39 14.279 -8.194 -4.636 313 HH TYR 39 HH TYR 39 13.152 -5.895 -4.432 314 H ASN 40 H ASN 40 9.514 -11.635 -2.663 315 HA ASN 40 HA ASN 40 10.586 -12.803 -5.067 316 HB2 ASN 40 1HB ASN 40 8.266 -12.586 -5.946 317 HB3 ASN 40 2HB ASN 40 8.293 -13.406 -4.393 318 HD21 ASN 40 2HD2 ASN 40 6.087 -12.053 -5.682 319 HD22 ASN 40 1HD2 ASN 40 5.599 -10.824 -4.558 320 H GLY 41 H GLY 41 9.556 -9.700 -3.874 321 HA2 GLY 41 1HA GLY 41 10.681 -7.710 -4.411 322 HA3 GLY 41 2HA GLY 41 11.253 -8.464 -5.886 323 H LYS 42 H LYS 42 8.400 -9.349 -6.396 324 HA LYS 42 HA LYS 42 7.733 -6.908 -7.814 325 HB2 LYS 42 1HB LYS 42 7.885 -9.059 -9.023 326 HB3 LYS 42 2HB LYS 42 6.543 -9.658 -8.071 327 HG2 LYS 42 1HG LYS 42 5.841 -8.986 -10.324 328 HG3 LYS 42 2HG LYS 42 5.049 -8.021 -9.083 329 HD2 LYS 42 1HD LYS 42 6.482 -6.162 -9.492 330 HD3 LYS 42 2HD LYS 42 7.521 -7.119 -10.545 331 HE2 LYS 42 1HE LYS 42 6.052 -5.629 -11.810 332 HE3 LYS 42 2HE LYS 42 5.724 -7.320 -12.158 333 HZ1 LYS 42 3HZ LYS 42 4.095 -5.565 -10.365 334 HZ2 LYS 42 1HZ LYS 42 3.803 -7.199 -10.665 335 HZ3 LYS 42 2HZ LYS 42 3.691 -6.107 -11.903 336 H VAL 43 H VAL 43 5.775 -9.328 -6.014 337 HA VAL 43 HA VAL 43 4.060 -7.071 -5.266 338 HB VAL 43 HB VAL 43 2.082 -8.582 -5.332 339 HG11 VAL 43 1HG1 VAL 43 3.524 -8.280 -7.953 340 HG12 VAL 43 2HG1 VAL 43 2.535 -7.046 -7.173 341 HG13 VAL 43 3HG1 VAL 43 1.793 -8.539 -7.753 342 HG21 VAL 43 3HG2 VAL 43 2.205 -10.672 -6.611 343 HG22 VAL 43 1HG2 VAL 43 3.223 -10.738 -5.173 344 HG23 VAL 43 2HG2 VAL 43 3.952 -10.479 -6.757 345 H LEU 44 H LEU 44 3.151 -7.020 -3.303 346 HA LEU 44 HA LEU 44 3.840 -9.135 -1.397 347 HB2 LEU 44 1HB LEU 44 5.267 -7.240 -0.985 348 HB3 LEU 44 2HB LEU 44 3.922 -6.133 -1.101 349 HG LEU 44 HG LEU 44 3.023 -7.007 1.014 350 HD11 LEU 44 1HD1 LEU 44 3.868 -9.279 0.904 351 HD12 LEU 44 2HD1 LEU 44 4.371 -8.492 2.402 352 HD13 LEU 44 3HD1 LEU 44 5.518 -8.682 1.075 353 HD21 LEU 44 3HD2 LEU 44 4.503 -5.085 1.039 354 HD22 LEU 44 1HD2 LEU 44 5.907 -6.149 1.145 355 HD23 LEU 44 2HD2 LEU 44 4.749 -6.079 2.474 356 H SER 45 H SER 45 1.965 -10.067 -0.849 357 HA SER 45 HA SER 45 -0.488 -8.558 -1.039 358 HB2 SER 45 1HB SER 45 -0.034 -11.456 -0.301 359 HB3 SER 45 2HB SER 45 -1.598 -10.706 -0.637 360 HG SER 45 HG SER 45 0.538 -10.647 -2.476 361 H ILE 46 H ILE 46 -0.924 -7.261 0.580 362 HA ILE 46 HA ILE 46 -0.393 -8.150 3.311 363 HB ILE 46 HB ILE 46 -0.727 -5.809 4.002 364 HG12 ILE 46 1HG1 ILE 46 -1.029 -5.198 1.040 365 HG13 ILE 46 2HG1 ILE 46 -2.318 -5.140 2.236 366 HG21 ILE 46 1HG2 ILE 46 1.524 -6.531 3.458 367 HG22 ILE 46 2HG2 ILE 46 1.297 -4.842 3.011 368 HG23 ILE 46 3HG2 ILE 46 1.271 -6.092 1.767 369 HD11 ILE 46 3HD1 ILE 46 -1.178 -3.307 3.377 370 HD12 ILE 46 1HD1 ILE 46 -1.505 -2.915 1.687 371 HD13 ILE 46 2HD1 ILE 46 0.122 -3.379 2.188 372 H ARG 47 H ARG 47 -2.187 -7.153 4.834 373 HA ARG 47 HA ARG 47 -4.723 -7.981 3.623 374 HB2 ARG 47 1HB ARG 47 -3.604 -8.432 6.375 375 HB3 ARG 47 2HB ARG 47 -5.337 -8.411 6.109 376 HG2 ARG 47 1HG ARG 47 -4.497 -10.690 6.138 377 HG3 ARG 47 2HG ARG 47 -5.141 -10.287 4.555 378 HD2 ARG 47 1HD ARG 47 -2.855 -9.948 3.725 379 HD3 ARG 47 2HD ARG 47 -2.216 -10.344 5.317 380 HE ARG 47 HE ARG 47 -3.850 -12.434 4.556 381 HH11 ARG 47 1HH1 ARG 47 -0.791 -11.026 3.363 382 HH12 ARG 47 2HH1 ARG 47 -0.219 -12.511 2.786 383 HH21 ARG 47 1HH2 ARG 47 -3.021 -14.428 3.733 384 HH22 ARG 47 2HH2 ARG 47 -1.515 -14.472 2.954 385 H GLN 48 H GLN 48 -6.610 -7.116 5.147 386 HA GLN 48 HA GLN 48 -6.740 -4.331 4.640 387 HB2 GLN 48 1HB GLN 48 -8.468 -6.070 6.383 388 HB3 GLN 48 2HB GLN 48 -8.856 -4.427 5.904 389 HG2 GLN 48 1HG GLN 48 -9.009 -5.065 3.619 390 HG3 GLN 48 2HG GLN 48 -8.432 -6.691 3.979 391 HE21 GLN 48 2HE2 GLN 48 -9.764 -8.089 5.112 392 HE22 GLN 48 1HE2 GLN 48 -11.461 -7.848 5.222 393 H ASP 49 H ASP 49 -5.991 -6.229 7.409 394 HA ASP 49 HA ASP 49 -6.034 -4.350 9.459 395 HB2 ASP 49 1HB ASP 49 -5.696 -6.767 9.788 396 HB3 ASP 49 2HB ASP 49 -4.110 -6.640 9.039 397 H ASP 50 H ASP 50 -3.590 -5.106 7.078 398 HA ASP 50 HA ASP 50 -1.622 -3.345 8.152 399 HB2 ASP 50 1HB ASP 50 -1.796 -4.583 5.399 400 HB3 ASP 50 2HB ASP 50 -0.379 -3.779 6.072 401 H LEU 51 H LEU 51 -3.920 -3.247 5.509 402 HA LEU 51 HA LEU 51 -3.374 -0.744 4.400 403 HB2 LEU 51 1HB LEU 51 -5.022 -2.423 3.570 404 HB3 LEU 51 2HB LEU 51 -6.089 -1.968 4.880 405 HG LEU 51 HG LEU 51 -6.026 0.383 3.887 406 HD11 LEU 51 1HD1 LEU 51 -4.958 -1.147 1.529 407 HD12 LEU 51 2HD1 LEU 51 -4.115 0.107 2.439 408 HD13 LEU 51 3HD1 LEU 51 -5.551 0.512 1.498 409 HD21 LEU 51 3HD2 LEU 51 -7.316 -1.868 2.354 410 HD22 LEU 51 1HD2 LEU 51 -7.775 -0.169 2.267 411 HD23 LEU 51 2HD2 LEU 51 -7.972 -1.055 3.776 412 H ARG 52 H ARG 52 -5.436 -1.641 7.109 413 HA ARG 52 HA ARG 52 -6.388 0.888 7.812 414 HB2 ARG 52 1HB ARG 52 -7.373 -1.204 8.637 415 HB3 ARG 52 2HB ARG 52 -5.923 -1.535 9.570 416 HG2 ARG 52 1HG ARG 52 -7.738 -0.696 10.977 417 HG3 ARG 52 2HG ARG 52 -6.367 0.411 10.968 418 HD2 ARG 52 1HD ARG 52 -7.474 1.828 9.355 419 HD3 ARG 52 2HD ARG 52 -8.826 0.706 9.250 420 HE ARG 52 HE ARG 52 -9.141 1.216 11.681 421 HH11 ARG 52 1HH1 ARG 52 -7.524 3.581 9.625 422 HH12 ARG 52 2HH1 ARG 52 -8.215 4.936 10.388 423 HH21 ARG 52 1HH2 ARG 52 -10.106 3.059 12.712 424 HH22 ARG 52 2HH2 ARG 52 -9.749 4.637 12.205 425 H THR 53 H THR 53 -3.485 -0.848 8.733 426 HA THR 53 HA THR 53 -2.559 0.940 10.699 427 HB THR 53 HB THR 53 -0.884 -0.820 8.871 428 HG1 THR 53 HG1 THR 53 -2.625 -1.950 10.064 429 HG21 THR 53 3HG2 THR 53 -0.368 0.230 11.667 430 HG22 THR 53 1HG2 THR 53 0.406 0.804 10.190 431 HG23 THR 53 2HG2 THR 53 0.694 -0.842 10.756 432 H LEU 54 H LEU 54 -1.834 0.650 7.209 433 HA LEU 54 HA LEU 54 -0.066 2.766 6.839 434 HB2 LEU 54 1HB LEU 54 -2.098 1.485 5.065 435 HB3 LEU 54 2HB LEU 54 -1.328 2.960 4.529 436 HG LEU 54 HG LEU 54 0.861 1.850 4.593 437 HD11 LEU 54 1HD1 LEU 54 -0.666 -0.612 5.359 438 HD12 LEU 54 2HD1 LEU 54 0.465 0.275 6.380 439 HD13 LEU 54 3HD1 LEU 54 1.040 -0.532 4.921 440 HD21 LEU 54 3HD2 LEU 54 -0.416 1.814 2.553 441 HD22 LEU 54 1HD2 LEU 54 -1.231 0.332 3.067 442 HD23 LEU 54 2HD2 LEU 54 0.506 0.325 2.754 443 H ALA 55 H ALA 55 -3.561 2.793 6.690 444 HA ALA 55 HA ALA 55 -4.024 5.429 6.020 445 HB1 ALA 55 3HB ALA 55 -6.242 5.104 6.978 446 HB2 ALA 55 1HB ALA 55 -5.671 3.672 7.836 447 HB3 ALA 55 2HB ALA 55 -5.737 3.677 6.073 448 H VAL 56 H VAL 56 -3.420 4.033 9.217 449 HA VAL 56 HA VAL 56 -4.023 6.454 10.612 450 HB VAL 56 HB VAL 56 -2.538 3.981 11.574 451 HG11 VAL 56 1HG1 VAL 56 -3.077 4.760 13.828 452 HG12 VAL 56 2HG1 VAL 56 -3.779 6.230 13.152 453 HG13 VAL 56 3HG1 VAL 56 -2.049 5.912 12.975 454 HG21 VAL 56 3HG2 VAL 56 -4.816 3.469 10.872 455 HG22 VAL 56 1HG2 VAL 56 -5.435 4.762 11.898 456 HG23 VAL 56 2HG2 VAL 56 -4.663 3.353 12.626 457 H ILE 57 H ILE 57 -1.123 4.831 9.501 458 HA ILE 57 HA ILE 57 0.770 6.495 10.757 459 HB ILE 57 HB ILE 57 1.121 5.041 8.118 460 HG12 ILE 57 1HG1 ILE 57 1.603 4.067 10.948 461 HG13 ILE 57 2HG1 ILE 57 0.348 3.540 9.824 462 HG21 ILE 57 1HG2 ILE 57 3.513 5.040 8.688 463 HG22 ILE 57 2HG2 ILE 57 3.166 5.972 10.142 464 HG23 ILE 57 3HG2 ILE 57 2.881 6.682 8.551 465 HD11 ILE 57 3HD1 ILE 57 3.302 3.192 9.380 466 HD12 ILE 57 1HD1 ILE 57 2.003 2.583 8.356 467 HD13 ILE 57 2HD1 ILE 57 2.217 1.945 9.990 468 H TYR 58 H TYR 58 -0.628 6.614 7.491 469 HA TYR 58 HA TYR 58 0.920 8.996 6.876 470 HB2 TYR 58 1HB TYR 58 -1.107 7.633 5.103 471 HB3 TYR 58 2HB TYR 58 0.177 8.719 4.600 472 HD1 TYR 58 HD2 TYR 58 2.431 7.518 6.258 473 HD2 TYR 58 HD1 TYR 58 -0.578 5.726 3.872 474 HE1 TYR 58 HE2 TYR 58 3.834 5.508 5.982 475 HE2 TYR 58 HE1 TYR 58 0.828 3.734 3.590 476 HH TYR 58 HH TYR 58 3.615 3.213 5.497 477 H ASP 59 H ASP 59 -1.803 8.523 8.498 478 HA ASP 59 HA ASP 59 -3.560 9.736 9.174 479 HB2 ASP 59 1HB ASP 59 -1.810 11.444 9.669 480 HB3 ASP 59 2HB ASP 59 -2.023 12.114 8.057 481 H GLN 60 H GLN 60 -4.347 8.433 7.232 482 HA GLN 60 HA GLN 60 -6.045 10.248 5.738 483 HB2 GLN 60 1HB GLN 60 -4.420 8.037 4.439 484 HB3 GLN 60 2HB GLN 60 -5.791 8.820 3.670 485 HG2 GLN 60 1HG GLN 60 -4.589 10.979 3.806 486 HG3 GLN 60 2HG GLN 60 -3.204 10.137 4.493 487 HE21 GLN 60 2HE2 GLN 60 -1.927 8.890 3.149 488 HE22 GLN 60 1HE2 GLN 60 -2.065 8.945 1.427 489 H SER 61 H SER 61 -8.066 9.453 5.380 490 HA SER 61 HA SER 61 -9.003 7.449 7.073 491 HB2 SER 61 1HB SER 61 -10.296 8.526 4.562 492 HB3 SER 61 2HB SER 61 -11.102 7.891 6.001 493 HG SER 61 HG SER 61 -10.588 9.627 7.124 494 HA PRO 62 HA PRO 62 -7.925 3.563 5.129 495 HB2 PRO 62 1HB PRO 62 -10.853 3.001 5.380 496 HB3 PRO 62 2HB PRO 62 -9.478 1.972 5.794 497 HG2 PRO 62 1HG PRO 62 -10.775 3.276 7.700 498 HG3 PRO 62 2HG PRO 62 -9.012 3.149 7.742 499 HD2 PRO 62 1HD PRO 62 -10.718 5.494 7.092 500 HD3 PRO 62 2HD PRO 62 -9.099 5.430 7.818 501 H SER 63 H SER 63 -11.051 4.826 3.958 502 HA SER 63 HA SER 63 -10.947 3.490 1.488 503 HB2 SER 63 1HB SER 63 -12.460 5.988 2.232 504 HB3 SER 63 2HB SER 63 -12.822 4.917 0.877 505 HG SER 63 HG SER 63 -13.923 3.813 2.163 506 H VAL 64 H VAL 64 -10.040 6.780 2.448 507 HA VAL 64 HA VAL 64 -9.370 7.777 -0.110 508 HB VAL 64 HB VAL 64 -8.297 8.590 2.616 509 HG11 VAL 64 1HG1 VAL 64 -6.854 9.422 0.819 510 HG12 VAL 64 2HG1 VAL 64 -7.746 10.742 1.580 511 HG13 VAL 64 3HG1 VAL 64 -8.259 10.123 0.015 512 HG21 VAL 64 3HG2 VAL 64 -10.719 8.761 2.455 513 HG22 VAL 64 1HG2 VAL 64 -10.561 9.722 0.988 514 HG23 VAL 64 2HG2 VAL 64 -9.974 10.360 2.523 515 H LEU 65 H LEU 65 -7.531 6.177 2.399 516 HA LEU 65 HA LEU 65 -5.008 6.296 1.185 517 HB2 LEU 65 1HB LEU 65 -5.496 5.768 3.596 518 HB3 LEU 65 2HB LEU 65 -6.098 4.208 3.100 519 HG LEU 65 HG LEU 65 -3.811 4.226 4.148 520 HD11 LEU 65 1HD1 LEU 65 -4.494 2.327 2.858 521 HD12 LEU 65 2HD1 LEU 65 -2.783 2.662 2.575 522 HD13 LEU 65 3HD1 LEU 65 -3.990 3.118 1.370 523 HD21 LEU 65 3HD2 LEU 65 -3.040 5.570 1.565 524 HD22 LEU 65 1HD2 LEU 65 -1.917 4.856 2.720 525 HD23 LEU 65 2HD2 LEU 65 -2.908 6.237 3.196 526 H THR 66 H THR 66 -7.632 3.951 0.964 527 HA THR 66 HA THR 66 -6.320 2.091 -0.690 528 HB THR 66 HB THR 66 -9.287 2.723 -0.538 529 HG1 THR 66 HG1 THR 66 -8.376 2.164 1.516 530 HG21 THR 66 3HG2 THR 66 -8.680 1.315 -2.472 531 HG22 THR 66 1HG2 THR 66 -9.602 0.403 -1.274 532 HG23 THR 66 2HG2 THR 66 -7.855 0.196 -1.384 533 H GLU 67 H GLU 67 -8.318 4.948 -1.404 534 HA GLU 67 HA GLU 67 -8.392 4.710 -4.186 535 HB2 GLU 67 1HB GLU 67 -8.437 7.248 -2.532 536 HB3 GLU 67 2HB GLU 67 -8.891 7.137 -4.223 537 HG2 GLU 67 1HG GLU 67 -10.708 5.584 -3.597 538 HG3 GLU 67 2HG GLU 67 -10.277 5.805 -1.905 539 H GLN 68 H GLN 68 -5.993 6.165 -2.057 540 HA GLN 68 HA GLN 68 -4.318 7.395 -3.899 541 HB2 GLN 68 1HB GLN 68 -3.742 6.031 -1.285 542 HB3 GLN 68 2HB GLN 68 -2.522 6.902 -2.195 543 HG2 GLN 68 1HG GLN 68 -5.074 8.090 -1.131 544 HG3 GLN 68 2HG GLN 68 -3.492 8.214 -0.362 545 HE21 GLN 68 2HE2 GLN 68 -5.461 9.240 -3.000 546 HE22 GLN 68 1HE2 GLN 68 -4.451 10.539 -3.510 547 H LEU 69 H LEU 69 -4.035 4.129 -2.521 548 HA LEU 69 HA LEU 69 -1.849 3.354 -4.062 549 HB2 LEU 69 1HB LEU 69 -3.916 1.832 -2.533 550 HB3 LEU 69 2HB LEU 69 -2.782 0.978 -3.554 551 HG LEU 69 HG LEU 69 -2.105 0.962 -1.215 552 HD11 LEU 69 1HD1 LEU 69 0.193 1.700 -1.503 553 HD12 LEU 69 2HD1 LEU 69 -0.264 2.586 -2.953 554 HD13 LEU 69 3HD1 LEU 69 -0.397 0.825 -2.911 555 HD21 LEU 69 3HD2 LEU 69 -1.822 3.954 -1.472 556 HD22 LEU 69 1HD2 LEU 69 -1.314 2.984 -0.090 557 HD23 LEU 69 2HD2 LEU 69 -3.026 3.113 -0.498 558 H ILE 70 H ILE 70 -5.271 3.093 -4.753 559 HA ILE 70 HA ILE 70 -4.891 1.592 -7.141 560 HB ILE 70 HB ILE 70 -7.259 3.291 -6.270 561 HG12 ILE 70 1HG1 ILE 70 -6.821 0.296 -6.178 562 HG13 ILE 70 2HG1 ILE 70 -6.732 1.380 -4.797 563 HG21 ILE 70 1HG2 ILE 70 -8.561 2.066 -7.968 564 HG22 ILE 70 2HG2 ILE 70 -7.088 1.267 -8.516 565 HG23 ILE 70 3HG2 ILE 70 -7.266 3.012 -8.702 566 HD11 ILE 70 3HD1 ILE 70 -9.095 1.903 -5.052 567 HD12 ILE 70 1HD1 ILE 70 -8.833 0.169 -4.863 568 HD13 ILE 70 2HD1 ILE 70 -9.184 0.839 -6.458 569 H SER 71 H SER 71 -4.951 5.014 -6.389 570 HA SER 71 HA SER 71 -5.143 5.986 -9.036 571 HB2 SER 71 1HB SER 71 -5.695 7.354 -7.044 572 HB3 SER 71 2HB SER 71 -4.012 7.290 -6.539 573 HG SER 71 HG SER 71 -4.718 8.313 -9.068 574 H TRP 72 H TRP 72 -2.454 5.014 -6.991 575 HA TRP 72 HA TRP 72 -0.500 5.909 -8.933 576 HB2 TRP 72 1HB TRP 72 -0.083 4.192 -6.485 577 HB3 TRP 72 2HB TRP 72 1.171 5.013 -7.406 578 HD1 TRP 72 HD1 TRP 72 -0.387 7.896 -7.511 579 HE1 TRP 72 HE1 TRP 72 -0.458 9.300 -5.355 580 HE3 TRP 72 HE3 TRP 72 0.573 4.206 -4.143 581 HZ2 TRP 72 HZ2 TRP 72 -0.115 8.889 -2.582 582 HZ3 TRP 72 HZ3 TRP 72 0.702 4.784 -1.743 583 HH2 TRP 72 HH2 TRP 72 0.365 7.077 -0.984 584 H GLY 73 H GLY 73 -2.513 3.322 -8.640 585 HA2 GLY 73 1HA GLY 73 -2.735 1.396 -9.894 586 HA3 GLY 73 2HA GLY 73 -1.299 1.880 -10.780 587 H VAL 74 H VAL 74 -1.298 1.567 -7.360 588 HA VAL 74 HA VAL 74 0.685 -0.562 -7.605 589 HB VAL 74 HB VAL 74 -0.144 1.050 -5.162 590 HG11 VAL 74 1HG1 VAL 74 1.901 0.194 -4.134 591 HG12 VAL 74 2HG1 VAL 74 2.234 -0.756 -5.583 592 HG13 VAL 74 3HG1 VAL 74 0.822 -1.129 -4.594 593 HG21 VAL 74 3HG2 VAL 74 0.905 2.421 -6.903 594 HG22 VAL 74 1HG2 VAL 74 2.299 1.346 -6.901 595 HG23 VAL 74 2HG2 VAL 74 1.917 2.296 -5.461 596 H LEU 75 H LEU 75 -2.521 0.086 -6.496 597 HA LEU 75 HA LEU 75 -2.768 -2.662 -5.500 598 HB2 LEU 75 1HB LEU 75 -3.194 -0.962 -3.809 599 HB3 LEU 75 2HB LEU 75 -4.400 -0.198 -4.831 600 HG LEU 75 HG LEU 75 -5.783 -2.274 -4.599 601 HD11 LEU 75 1HD1 LEU 75 -4.022 -3.860 -4.092 602 HD12 LEU 75 2HD1 LEU 75 -5.238 -3.849 -2.813 603 HD13 LEU 75 3HD1 LEU 75 -3.692 -3.032 -2.571 604 HD21 LEU 75 3HD2 LEU 75 -6.209 -0.326 -3.206 605 HD22 LEU 75 1HD2 LEU 75 -5.015 -0.885 -2.035 606 HD23 LEU 75 2HD2 LEU 75 -6.492 -1.813 -2.301 607 H ASP 76 H ASP 76 -4.695 -3.762 -6.044 608 HA ASP 76 HA ASP 76 -5.538 -3.525 -8.731 609 HB2 ASP 76 1HB ASP 76 -5.436 -5.682 -7.653 610 HB3 ASP 76 2HB ASP 76 -6.554 -5.166 -6.405 611 H ALA 77 H ALA 77 -7.425 -2.757 -9.593 612 HA ALA 77 HA ALA 77 -8.644 -0.594 -8.245 613 HB1 ALA 77 3HB ALA 77 -9.970 -0.311 -10.256 614 HB2 ALA 77 1HB ALA 77 -9.486 -1.909 -10.823 615 HB3 ALA 77 2HB ALA 77 -8.286 -0.626 -10.669 616 H ASP 78 H ASP 78 -9.637 -3.910 -8.748 617 HA ASP 78 HA ASP 78 -12.365 -3.435 -7.965 618 HB2 ASP 78 1HB ASP 78 -12.020 -5.200 -9.504 619 HB3 ASP 78 2HB ASP 78 -10.748 -5.902 -8.525 620 H ALA 79 H ALA 79 -9.434 -4.127 -6.402 621 HA ALA 79 HA ALA 79 -10.162 -5.452 -4.092 622 HB1 ALA 79 3HB ALA 79 -7.849 -5.031 -4.764 623 HB2 ALA 79 1HB ALA 79 -8.148 -4.606 -3.079 624 HB3 ALA 79 2HB ALA 79 -8.035 -3.339 -4.302 625 H ARG 80 H ARG 80 -10.824 -2.097 -4.836 626 HA ARG 80 HA ARG 80 -11.143 -1.436 -2.084 627 HB2 ARG 80 1HB ARG 80 -11.679 0.742 -2.634 628 HB3 ARG 80 2HB ARG 80 -10.799 0.262 -4.065 629 HG2 ARG 80 1HG ARG 80 -13.802 0.327 -3.828 630 HG3 ARG 80 2HG ARG 80 -12.815 1.615 -4.508 631 HD2 ARG 80 1HD ARG 80 -12.050 0.084 -6.253 632 HD3 ARG 80 2HD ARG 80 -13.036 -1.200 -5.550 633 HE ARG 80 HE ARG 80 -14.714 0.925 -5.980 634 HH11 ARG 80 1HH1 ARG 80 -12.609 -1.005 -8.064 635 HH12 ARG 80 2HH1 ARG 80 -13.668 -0.995 -9.393 636 HH21 ARG 80 1HH2 ARG 80 -16.153 0.997 -7.819 637 HH22 ARG 80 2HH2 ARG 80 -15.719 0.192 -9.258 638 H ARG 81 H ARG 81 -13.107 -3.207 -4.182 639 HA ARG 81 HA ARG 81 -15.613 -2.637 -2.956 640 HB2 ARG 81 1HB ARG 81 -14.605 -4.487 -4.966 641 HB3 ARG 81 2HB ARG 81 -15.735 -5.270 -3.873 642 HG2 ARG 81 1HG ARG 81 -16.311 -2.739 -5.397 643 HG3 ARG 81 2HG ARG 81 -16.795 -4.355 -5.909 644 HD2 ARG 81 1HD ARG 81 -17.649 -2.982 -3.346 645 HD3 ARG 81 2HD ARG 81 -18.637 -3.189 -4.789 646 HE ARG 81 HE ARG 81 -17.795 -5.699 -4.076 647 HH11 ARG 81 1HH1 ARG 81 -19.767 -3.179 -2.566 648 HH12 ARG 81 2HH1 ARG 81 -20.732 -4.281 -1.681 649 HH21 ARG 81 1HH2 ARG 81 -19.122 -7.194 -2.815 650 HH22 ARG 81 2HH2 ARG 81 -20.367 -6.577 -1.828 651 H ALA 82 H ALA 82 -12.966 -4.817 -2.342 652 HA ALA 82 HA ALA 82 -14.292 -6.275 -0.287 653 HB1 ALA 82 3HB ALA 82 -12.418 -7.237 -1.542 654 HB2 ALA 82 1HB ALA 82 -12.072 -7.193 0.187 655 HB3 ALA 82 2HB ALA 82 -11.344 -5.998 -0.888 656 H VAL 83 H VAL 83 -12.194 -3.495 -0.475 657 HA VAL 83 HA VAL 83 -11.850 -3.129 2.321 658 HB VAL 83 HB VAL 83 -11.729 -1.035 0.123 659 HG11 VAL 83 1HG1 VAL 83 -11.968 -0.012 2.326 660 HG12 VAL 83 2HG1 VAL 83 -10.344 0.257 1.690 661 HG13 VAL 83 3HG1 VAL 83 -10.613 -0.966 2.930 662 HG21 VAL 83 3HG2 VAL 83 -9.294 -1.393 0.203 663 HG22 VAL 83 1HG2 VAL 83 -10.157 -2.854 -0.275 664 HG23 VAL 83 2HG2 VAL 83 -9.534 -2.697 1.366 665 H ALA 84 H ALA 84 -14.102 -1.700 -0.010 666 HA ALA 84 HA ALA 84 -15.577 -0.303 2.040 667 HB1 ALA 84 3HB ALA 84 -16.141 -0.617 -0.911 668 HB2 ALA 84 1HB ALA 84 -15.209 0.691 -0.181 669 HB3 ALA 84 2HB ALA 84 -16.923 0.521 0.190 670 H SER 85 H SER 85 -15.507 -3.088 2.417 671 HA SER 85 HA SER 85 -17.927 -4.293 1.472 672 HB2 SER 85 1HB SER 85 -15.883 -5.609 1.881 673 HB3 SER 85 2HB SER 85 -15.994 -5.229 3.596 674 HG SER 85 HG SER 85 -18.241 -6.197 3.247 675 H HIS 86 H HIS 86 -17.530 -1.951 3.594 676 HA HIS 86 HA HIS 86 -19.337 -2.717 5.713 677 HB2 HIS 86 1HB HIS 86 -19.207 -0.204 6.243 678 HB3 HIS 86 2HB HIS 86 -17.687 -1.083 6.312 679 HD1 HIS 86 HD1 HIS 86 -15.801 -0.011 5.075 680 HD2 HIS 86 HD2 HIS 86 -19.498 1.243 3.673 681 HE1 HIS 86 HE1 HIS 86 -15.332 1.731 3.310 682 H ASP 87 H ASP 87 -20.430 -3.305 3.448 683 HA ASP 87 HA ASP 87 -22.612 -1.422 2.943 684 HB2 ASP 87 1HB ASP 87 -21.060 -1.496 1.024 685 HB3 ASP 87 2HB ASP 87 -21.152 -3.246 1.000 686 H GLU 88 H GLU 88 -23.889 -2.449 4.391 687 HA GLU 88 HA GLU 88 -24.226 -5.347 4.237 688 HB2 GLU 88 1HB GLU 88 -25.179 -3.304 6.243 689 HB3 GLU 88 2HB GLU 88 -25.749 -4.959 6.259 690 HG2 GLU 88 1HG GLU 88 -24.010 -4.650 7.909 691 HG3 GLU 88 2HG GLU 88 -23.453 -5.738 6.647 692 H LEU 89 H LEU 89 -25.768 -2.429 3.432 693 HA LEU 89 HA LEU 89 -28.103 -3.863 2.415 694 HB2 LEU 89 1HB LEU 89 -28.066 -1.121 3.698 695 HB3 LEU 89 2HB LEU 89 -29.460 -1.895 2.988 696 HG LEU 89 HG LEU 89 -28.022 -2.837 5.473 697 HD11 LEU 89 1HD1 LEU 89 -29.199 -0.744 5.829 698 HD12 LEU 89 2HD1 LEU 89 -30.014 -2.077 6.643 699 HD13 LEU 89 3HD1 LEU 89 -30.660 -1.440 5.130 700 HD21 LEU 89 3HD2 LEU 89 -29.952 -4.323 5.744 701 HD22 LEU 89 1HD2 LEU 89 -29.058 -4.684 4.267 702 HD23 LEU 89 2HD2 LEU 89 -30.578 -3.790 4.188 Start of MODEL 20 1 H1 MET 1 1H MET 1 -18.449 -16.337 5.540 2 H2 MET 1 2H MET 1 -17.905 -14.742 5.228 3 H3 MET 1 3H MET 1 -16.832 -16.013 5.170 4 HA MET 1 HA MET 1 -17.733 -16.931 3.291 5 HB2 MET 1 1HB MET 1 -19.594 -15.909 2.077 6 HB3 MET 1 2HB MET 1 -20.111 -16.368 3.686 7 HG2 MET 1 1HG MET 1 -19.905 -14.014 4.392 8 HG3 MET 1 2HG MET 1 -19.449 -13.585 2.742 9 HE1 MET 1 3HE MET 1 -23.078 -12.146 2.997 10 HE2 MET 1 1HE MET 1 -21.402 -11.801 2.568 11 HE3 MET 1 2HE MET 1 -21.826 -12.156 4.241 12 H GLU 2 H GLU 2 -17.328 -16.059 1.121 13 HA GLU 2 HA GLU 2 -16.198 -14.894 -0.382 14 HB2 GLU 2 1HB GLU 2 -15.877 -12.725 1.703 15 HB3 GLU 2 2HB GLU 2 -15.231 -12.628 0.080 16 HG2 GLU 2 1HG GLU 2 -17.560 -12.790 -0.771 17 HG3 GLU 2 2HG GLU 2 -18.114 -12.702 0.903 18 HA PRO 3 HA PRO 3 -12.153 -16.311 0.514 19 HB2 PRO 3 1HB PRO 3 -10.825 -15.076 -1.543 20 HB3 PRO 3 2HB PRO 3 -11.778 -16.551 -1.756 21 HG2 PRO 3 1HG PRO 3 -12.527 -13.707 -2.305 22 HG3 PRO 3 2HG PRO 3 -12.847 -15.155 -3.279 23 HD2 PRO 3 1HD PRO 3 -14.720 -14.045 -1.725 24 HD3 PRO 3 2HD PRO 3 -14.617 -15.803 -1.945 25 HA PRO 4 HA PRO 4 -10.403 -12.994 2.981 26 HB2 PRO 4 1HB PRO 4 -7.802 -14.278 2.302 27 HB3 PRO 4 2HB PRO 4 -8.469 -13.879 3.889 28 HG2 PRO 4 1HG PRO 4 -8.421 -16.396 3.054 29 HG3 PRO 4 2HG PRO 4 -9.814 -15.765 3.945 30 HD2 PRO 4 1HD PRO 4 -9.525 -16.298 1.022 31 HD3 PRO 4 2HD PRO 4 -10.922 -16.540 2.090 32 HA PRO 5 HA PRO 5 -9.198 -10.520 -0.569 33 HB2 PRO 5 1HB PRO 5 -9.343 -8.232 1.229 34 HB3 PRO 5 2HB PRO 5 -10.313 -8.588 -0.201 35 HG2 PRO 5 1HG PRO 5 -11.299 -8.672 2.311 36 HG3 PRO 5 2HG PRO 5 -11.911 -9.689 0.995 37 HD2 PRO 5 1HD PRO 5 -10.070 -10.404 3.245 38 HD3 PRO 5 2HD PRO 5 -11.368 -11.354 2.481 39 H LYS 6 H LYS 6 -7.229 -10.618 -1.087 40 HA LYS 6 HA LYS 6 -5.078 -9.781 0.715 41 HB2 LYS 6 1HB LYS 6 -5.021 -11.454 -1.817 42 HB3 LYS 6 2HB LYS 6 -3.627 -11.075 -0.813 43 HG2 LYS 6 1HG LYS 6 -4.500 -12.393 1.000 44 HG3 LYS 6 2HG LYS 6 -6.026 -12.628 0.151 45 HD2 LYS 6 1HD LYS 6 -4.661 -14.640 -0.011 46 HD3 LYS 6 2HD LYS 6 -4.831 -13.897 -1.599 47 HE2 LYS 6 1HE LYS 6 -2.599 -12.891 -1.348 48 HE3 LYS 6 2HE LYS 6 -2.438 -13.658 0.229 49 HZ1 LYS 6 3HZ LYS 6 -2.601 -15.839 -0.903 50 HZ2 LYS 6 1HZ LYS 6 -1.311 -14.923 -1.504 51 HZ3 LYS 6 2HZ LYS 6 -2.734 -15.042 -2.375 52 H LEU 7 H LEU 7 -4.128 -7.879 0.223 53 HA LEU 7 HA LEU 7 -4.817 -6.598 -2.306 54 HB2 LEU 7 1HB LEU 7 -3.623 -5.468 0.221 55 HB3 LEU 7 2HB LEU 7 -4.076 -4.539 -1.193 56 HG LEU 7 HG LEU 7 -5.980 -6.045 0.601 57 HD11 LEU 7 1HD1 LEU 7 -5.451 -3.099 0.316 58 HD12 LEU 7 2HD1 LEU 7 -5.031 -4.112 1.700 59 HD13 LEU 7 3HD1 LEU 7 -6.723 -3.831 1.294 60 HD21 LEU 7 3HD2 LEU 7 -6.510 -4.210 -1.739 61 HD22 LEU 7 1HD2 LEU 7 -7.736 -4.880 -0.663 62 HD23 LEU 7 2HD2 LEU 7 -6.799 -5.954 -1.694 63 H VAL 8 H VAL 8 -3.345 -6.638 -3.829 64 HA VAL 8 HA VAL 8 -0.644 -7.439 -3.164 65 HB VAL 8 HB VAL 8 -1.885 -6.994 -5.893 66 HG11 VAL 8 1HG1 VAL 8 0.551 -6.859 -5.925 67 HG12 VAL 8 2HG1 VAL 8 0.003 -8.337 -6.718 68 HG13 VAL 8 3HG1 VAL 8 0.658 -8.405 -5.085 69 HG21 VAL 8 3HG2 VAL 8 -1.488 -9.568 -4.369 70 HG22 VAL 8 1HG2 VAL 8 -2.114 -9.422 -6.011 71 HG23 VAL 8 2HG2 VAL 8 -3.035 -8.771 -4.654 72 H LEU 9 H LEU 9 0.703 -5.927 -2.639 73 HA LEU 9 HA LEU 9 0.533 -3.245 -3.733 74 HB2 LEU 9 1HB LEU 9 0.874 -3.583 -1.304 75 HB3 LEU 9 2HB LEU 9 2.314 -4.514 -1.635 76 HG LEU 9 HG LEU 9 3.364 -2.447 -2.567 77 HD11 LEU 9 1HD1 LEU 9 0.916 -1.109 -1.443 78 HD12 LEU 9 2HD1 LEU 9 1.313 -1.274 -3.149 79 HD13 LEU 9 3HD1 LEU 9 2.344 -0.302 -2.095 80 HD21 LEU 9 3HD2 LEU 9 3.806 -3.150 -0.282 81 HD22 LEU 9 1HD2 LEU 9 2.372 -2.286 0.276 82 HD23 LEU 9 2HD2 LEU 9 3.739 -1.391 -0.391 83 H ASP 10 H ASP 10 1.422 -3.193 -5.749 84 HA ASP 10 HA ASP 10 3.621 -4.888 -6.509 85 HB2 ASP 10 1HB ASP 10 1.798 -3.874 -8.126 86 HB3 ASP 10 2HB ASP 10 2.746 -2.425 -7.980 87 H LEU 11 H LEU 11 5.604 -4.496 -5.836 88 HA LEU 11 HA LEU 11 6.285 -1.968 -4.654 89 HB2 LEU 11 1HB LEU 11 7.966 -4.423 -5.118 90 HB3 LEU 11 2HB LEU 11 8.411 -3.051 -4.124 91 HG LEU 11 HG LEU 11 6.120 -4.937 -3.580 92 HD11 LEU 11 1HD1 LEU 11 8.280 -5.991 -3.267 93 HD12 LEU 11 2HD1 LEU 11 7.491 -5.702 -1.717 94 HD13 LEU 11 3HD1 LEU 11 8.802 -4.648 -2.251 95 HD21 LEU 11 3HD2 LEU 11 7.231 -2.658 -1.942 96 HD22 LEU 11 1HD2 LEU 11 5.995 -3.797 -1.411 97 HD23 LEU 11 2HD2 LEU 11 5.659 -2.693 -2.741 98 H GLU 12 H GLU 12 6.759 -3.532 -7.670 99 HA GLU 12 HA GLU 12 9.011 -2.034 -8.522 100 HB2 GLU 12 1HB GLU 12 6.904 -3.529 -10.090 101 HB3 GLU 12 2HB GLU 12 8.366 -2.855 -10.795 102 HG2 GLU 12 1HG GLU 12 8.334 -4.920 -8.609 103 HG3 GLU 12 2HG GLU 12 8.495 -5.291 -10.327 104 H ARG 13 H ARG 13 5.537 -1.778 -9.115 105 HA ARG 13 HA ARG 13 5.726 0.734 -10.455 106 HB2 ARG 13 1HB ARG 13 3.370 -0.568 -9.100 107 HB3 ARG 13 2HB ARG 13 3.277 0.925 -10.014 108 HG2 ARG 13 1HG ARG 13 4.049 -1.777 -11.063 109 HG3 ARG 13 2HG ARG 13 2.526 -0.918 -11.352 110 HD2 ARG 13 1HD ARG 13 3.901 0.917 -12.397 111 HD3 ARG 13 2HD ARG 13 5.287 -0.161 -12.279 112 HE ARG 13 HE ARG 13 2.905 -1.055 -13.681 113 HH11 ARG 13 1HH1 ARG 13 6.340 -0.158 -13.806 114 HH12 ARG 13 2HH1 ARG 13 6.520 -0.537 -15.448 115 HH21 ARG 13 1HH2 ARG 13 3.161 -1.550 -15.950 116 HH22 ARG 13 2HH2 ARG 13 4.674 -1.348 -16.699 117 H LEU 14 H LEU 14 5.425 -0.213 -7.141 118 HA LEU 14 HA LEU 14 4.661 2.278 -6.076 119 HB2 LEU 14 1HB LEU 14 4.736 -0.093 -4.999 120 HB3 LEU 14 2HB LEU 14 6.402 0.281 -4.638 121 HG LEU 14 HG LEU 14 4.819 0.580 -2.727 122 HD11 LEU 14 1HD1 LEU 14 5.645 2.756 -1.992 123 HD12 LEU 14 2HD1 LEU 14 6.287 3.030 -3.622 124 HD13 LEU 14 3HD1 LEU 14 6.906 1.711 -2.638 125 HD21 LEU 14 3HD2 LEU 14 3.331 2.472 -2.694 126 HD22 LEU 14 1HD2 LEU 14 2.918 1.400 -4.022 127 HD23 LEU 14 2HD2 LEU 14 3.787 2.910 -4.334 128 H ALA 15 H ALA 15 7.766 0.896 -6.921 129 HA ALA 15 HA ALA 15 9.374 2.971 -5.873 130 HB1 ALA 15 3HB ALA 15 9.968 1.098 -8.169 131 HB2 ALA 15 1HB ALA 15 10.260 0.754 -6.462 132 HB3 ALA 15 2HB ALA 15 11.144 2.048 -7.263 133 H THR 16 H THR 16 7.394 2.724 -8.687 134 HA THR 16 HA THR 16 8.692 4.895 -10.096 135 HB THR 16 HB THR 16 6.108 3.458 -10.777 136 HG1 THR 16 HG1 THR 16 8.630 2.532 -10.622 137 HG21 THR 16 3HG2 THR 16 6.720 4.035 -13.090 138 HG22 THR 16 1HG2 THR 16 8.203 4.802 -12.520 139 HG23 THR 16 2HG2 THR 16 6.636 5.493 -12.104 140 H VAL 17 H VAL 17 6.604 4.635 -7.533 141 HA VAL 17 HA VAL 17 4.957 6.933 -8.225 142 HB VAL 17 HB VAL 17 4.977 5.213 -5.706 143 HG11 VAL 17 1HG1 VAL 17 2.976 7.306 -6.569 144 HG12 VAL 17 2HG1 VAL 17 4.139 7.475 -5.258 145 HG13 VAL 17 3HG1 VAL 17 2.846 6.280 -5.142 146 HG21 VAL 17 3HG2 VAL 17 2.874 4.279 -6.556 147 HG22 VAL 17 1HG2 VAL 17 4.227 3.960 -7.642 148 HG23 VAL 17 2HG2 VAL 17 3.063 5.225 -8.033 149 HA PRO 18 HA PRO 18 7.747 10.039 -6.607 150 HB2 PRO 18 1HB PRO 18 5.153 10.887 -5.374 151 HB3 PRO 18 2HB PRO 18 6.402 11.875 -6.139 152 HG2 PRO 18 1HG PRO 18 4.199 11.196 -7.461 153 HG3 PRO 18 2HG PRO 18 5.772 11.256 -8.280 154 HD2 PRO 18 1HD PRO 18 4.118 8.923 -7.543 155 HD3 PRO 18 2HD PRO 18 5.376 9.066 -8.782 156 H ALA 19 H ALA 19 9.082 9.808 -4.936 157 HA ALA 19 HA ALA 19 8.555 8.229 -2.683 158 HB1 ALA 19 3HB ALA 19 10.715 8.951 -1.861 159 HB2 ALA 19 1HB ALA 19 10.740 10.273 -3.028 160 HB3 ALA 19 2HB ALA 19 10.807 8.604 -3.588 161 H GLU 20 H GLU 20 7.873 11.472 -3.329 162 HA GLU 20 HA GLU 20 7.735 12.720 -0.878 163 HB2 GLU 20 1HB GLU 20 5.835 12.871 -3.223 164 HB3 GLU 20 2HB GLU 20 5.740 13.938 -1.839 165 HG2 GLU 20 1HG GLU 20 6.825 15.012 -3.743 166 HG3 GLU 20 2HG GLU 20 7.917 14.869 -2.376 167 H LYS 21 H LYS 21 5.557 10.335 -2.287 168 HA LYS 21 HA LYS 21 4.084 10.301 0.266 169 HB2 LYS 21 1HB LYS 21 3.007 9.567 -2.459 170 HB3 LYS 21 2HB LYS 21 2.117 9.540 -0.944 171 HG2 LYS 21 1HG LYS 21 2.426 11.994 -0.761 172 HG3 LYS 21 2HG LYS 21 3.226 11.979 -2.332 173 HD2 LYS 21 1HD LYS 21 0.940 12.640 -2.653 174 HD3 LYS 21 2HD LYS 21 1.145 11.017 -3.310 175 HE2 LYS 21 1HE LYS 21 -0.929 11.096 -2.076 176 HE3 LYS 21 2HE LYS 21 0.222 10.103 -1.192 177 HZ1 LYS 21 3HZ LYS 21 -0.451 12.918 -0.589 178 HZ2 LYS 21 1HZ LYS 21 0.660 11.998 0.280 179 HZ3 LYS 21 2HZ LYS 21 -0.979 11.587 0.264 180 H ALA 22 H ALA 22 5.810 8.418 -2.121 181 HA ALA 22 HA ALA 22 4.922 5.913 -0.881 182 HB1 ALA 22 3HB ALA 22 5.734 4.823 -2.858 183 HB2 ALA 22 1HB ALA 22 6.412 6.337 -3.455 184 HB3 ALA 22 2HB ALA 22 4.666 6.157 -3.301 185 H GLY 23 H GLY 23 7.466 8.004 -0.513 186 HA2 GLY 23 1HA GLY 23 9.744 6.370 -0.508 187 HA3 GLY 23 2HA GLY 23 9.535 7.832 0.443 188 HA PRO 24 HA PRO 24 9.071 5.572 4.282 189 HB2 PRO 24 1HB PRO 24 6.440 6.037 5.079 190 HB3 PRO 24 2HB PRO 24 7.801 7.112 5.406 191 HG2 PRO 24 1HG PRO 24 5.744 7.263 3.238 192 HG3 PRO 24 2HG PRO 24 6.461 8.570 4.199 193 HD2 PRO 24 1HD PRO 24 7.251 8.137 1.692 194 HD3 PRO 24 2HD PRO 24 8.426 8.575 2.950 195 H LEU 25 H LEU 25 6.566 5.175 1.932 196 HA LEU 25 HA LEU 25 5.384 2.847 3.000 197 HB2 LEU 25 1HB LEU 25 4.177 4.282 1.504 198 HB3 LEU 25 2HB LEU 25 5.333 4.026 0.233 199 HG LEU 25 HG LEU 25 4.518 1.772 -0.146 200 HD11 LEU 25 1HD1 LEU 25 2.710 0.814 1.190 201 HD12 LEU 25 2HD1 LEU 25 2.723 2.225 2.246 202 HD13 LEU 25 3HD1 LEU 25 4.113 1.141 2.202 203 HD21 LEU 25 3HD2 LEU 25 3.265 3.669 -1.089 204 HD22 LEU 25 1HD2 LEU 25 2.196 3.629 0.306 205 HD23 LEU 25 2HD2 LEU 25 2.248 2.252 -0.799 206 H GLN 26 H GLN 26 7.923 3.307 0.562 207 HA GLN 26 HA GLN 26 8.309 0.565 0.031 208 HB2 GLN 26 1HB GLN 26 10.270 2.842 -0.067 209 HB3 GLN 26 2HB GLN 26 10.699 1.203 -0.524 210 HG2 GLN 26 1HG GLN 26 8.919 1.277 -2.233 211 HG3 GLN 26 2HG GLN 26 8.664 2.981 -1.833 212 HE21 GLN 26 2HE2 GLN 26 9.278 3.630 -3.884 213 HE22 GLN 26 1HE2 GLN 26 10.936 3.600 -4.385 214 H ARG 27 H ARG 27 9.487 2.583 2.604 215 HA ARG 27 HA ARG 27 11.300 0.616 3.621 216 HB2 ARG 27 1HB ARG 27 10.307 3.233 4.625 217 HB3 ARG 27 2HB ARG 27 11.160 2.170 5.734 218 HG2 ARG 27 1HG ARG 27 12.682 3.808 4.779 219 HG3 ARG 27 2HG ARG 27 13.111 2.187 4.245 220 HD2 ARG 27 1HD ARG 27 11.848 2.667 2.124 221 HD3 ARG 27 2HD ARG 27 11.706 4.339 2.673 222 HE ARG 27 HE ARG 27 14.280 4.014 2.890 223 HH11 ARG 27 1HH1 ARG 27 12.185 3.116 0.161 224 HH12 ARG 27 2HH1 ARG 27 13.443 3.137 -0.980 225 HH21 ARG 27 1HH2 ARG 27 15.967 4.013 1.340 226 HH22 ARG 27 2HH2 ARG 27 15.650 3.650 -0.294 227 H TYR 28 H TYR 28 8.073 1.676 4.467 228 HA TYR 28 HA TYR 28 7.558 -0.020 6.602 229 HB2 TYR 28 1HB TYR 28 5.993 1.715 5.949 230 HB3 TYR 28 2HB TYR 28 5.746 0.957 4.384 231 HD1 TYR 28 HD2 TYR 28 5.094 0.611 8.011 232 HD2 TYR 28 HD1 TYR 28 4.125 -0.762 4.102 233 HE1 TYR 28 HE2 TYR 28 3.149 -0.586 8.917 234 HE2 TYR 28 HE1 TYR 28 2.173 -1.959 5.002 235 HH TYR 28 HH TYR 28 1.298 -2.797 6.966 236 H ALA 29 H ALA 29 7.089 -0.542 3.133 237 HA ALA 29 HA ALA 29 6.144 -3.142 3.185 238 HB1 ALA 29 3HB ALA 29 7.887 -1.872 1.074 239 HB2 ALA 29 1HB ALA 29 6.132 -1.727 1.182 240 HB3 ALA 29 2HB ALA 29 6.873 -3.296 0.858 241 H ALA 30 H ALA 30 9.500 -1.998 3.005 242 HA ALA 30 HA ALA 30 10.732 -4.515 2.777 243 HB1 ALA 30 3HB ALA 30 12.780 -3.378 3.475 244 HB2 ALA 30 1HB ALA 30 11.835 -1.995 4.021 245 HB3 ALA 30 2HB ALA 30 11.885 -2.405 2.305 246 H THR 31 H THR 31 9.775 -2.641 5.561 247 HA THR 31 HA THR 31 10.990 -4.316 7.505 248 HB THR 31 HB THR 31 8.599 -2.476 7.891 249 HG1 THR 31 HG1 THR 31 10.224 -1.289 6.923 250 HG21 THR 31 3HG2 THR 31 9.153 -3.945 9.810 251 HG22 THR 31 1HG2 THR 31 9.492 -2.251 10.178 252 HG23 THR 31 2HG2 THR 31 10.812 -3.345 9.773 253 H ILE 32 H ILE 32 7.720 -4.096 6.127 254 HA ILE 32 HA ILE 32 6.456 -6.101 7.608 255 HB ILE 32 HB ILE 32 5.956 -5.091 4.801 256 HG12 ILE 32 1HG1 ILE 32 5.611 -3.411 6.495 257 HG13 ILE 32 2HG1 ILE 32 4.059 -3.897 5.832 258 HG21 ILE 32 1HG2 ILE 32 4.159 -6.909 6.390 259 HG22 ILE 32 2HG2 ILE 32 5.021 -7.316 4.906 260 HG23 ILE 32 3HG2 ILE 32 3.732 -6.112 4.876 261 HD11 ILE 32 3HD1 ILE 32 5.216 -4.718 8.497 262 HD12 ILE 32 1HD1 ILE 32 3.689 -5.306 7.826 263 HD13 ILE 32 2HD1 ILE 32 3.887 -3.599 8.210 264 H GLN 33 H GLN 33 8.369 -6.299 4.684 265 HA GLN 33 HA GLN 33 8.022 -8.972 4.010 266 HB2 GLN 33 1HB GLN 33 10.424 -7.178 3.754 267 HB3 GLN 33 2HB GLN 33 10.337 -8.767 3.014 268 HG2 GLN 33 1HG GLN 33 8.433 -8.062 1.686 269 HG3 GLN 33 2HG GLN 33 8.448 -6.489 2.477 270 HE21 GLN 33 2HE2 GLN 33 8.734 -7.218 -0.308 271 HE22 GLN 33 1HE2 GLN 33 10.223 -6.510 -0.837 272 H SER 34 H SER 34 10.461 -7.523 6.144 273 HA SER 34 HA SER 34 11.685 -9.936 6.907 274 HB2 SER 34 1HB SER 34 11.556 -7.331 8.429 275 HB3 SER 34 2HB SER 34 12.785 -8.591 8.589 276 HG SER 34 HG SER 34 12.855 -8.130 6.111 277 H GLN 35 H GLN 35 8.951 -8.141 8.180 278 HA GLN 35 HA GLN 35 8.693 -9.534 10.619 279 HB2 GLN 35 1HB GLN 35 6.643 -8.004 9.029 280 HB3 GLN 35 2HB GLN 35 6.359 -8.647 10.637 281 HG2 GLN 35 1HG GLN 35 8.522 -6.666 9.961 282 HG3 GLN 35 2HG GLN 35 6.932 -6.230 10.578 283 HE21 GLN 35 2HE2 GLN 35 7.819 -5.307 12.384 284 HE22 GLN 35 1HE2 GLN 35 8.473 -6.217 13.693 285 H ARG 36 H ARG 36 7.393 -10.176 7.421 286 HA ARG 36 HA ARG 36 5.861 -12.425 8.413 287 HB2 ARG 36 1HB ARG 36 6.295 -11.254 5.703 288 HB3 ARG 36 2HB ARG 36 5.774 -12.921 5.817 289 HG2 ARG 36 1HG ARG 36 3.864 -11.511 5.451 290 HG3 ARG 36 2HG ARG 36 3.786 -12.190 7.062 291 HD2 ARG 36 1HD ARG 36 4.373 -10.109 8.057 292 HD3 ARG 36 2HD ARG 36 4.824 -9.422 6.490 293 HE ARG 36 HE ARG 36 2.216 -10.183 6.211 294 HH11 ARG 36 1HH1 ARG 36 3.776 -7.948 8.540 295 HH12 ARG 36 2HH1 ARG 36 2.470 -6.882 8.476 296 HH21 ARG 36 1HH2 ARG 36 0.493 -8.649 6.241 297 HH22 ARG 36 2HH2 ARG 36 0.673 -7.242 7.231 298 H GLY 37 H GLY 37 9.025 -11.881 7.111 299 HA2 GLY 37 1HA GLY 37 10.842 -13.341 7.052 300 HA3 GLY 37 2HA GLY 37 9.790 -14.631 7.624 301 H ASP 38 H ASP 38 8.311 -13.147 5.175 302 HA ASP 38 HA ASP 38 9.283 -14.919 3.041 303 HB2 ASP 38 1HB ASP 38 7.222 -15.876 4.018 304 HB3 ASP 38 2HB ASP 38 6.421 -14.323 3.872 305 H TYR 39 H TYR 39 9.818 -13.576 1.308 306 HA TYR 39 HA TYR 39 8.263 -11.157 1.091 307 HB2 TYR 39 1HB TYR 39 10.134 -9.743 0.930 308 HB3 TYR 39 2HB TYR 39 10.321 -10.679 2.407 309 HD1 TYR 39 HD1 TYR 39 12.119 -12.400 2.548 310 HD2 TYR 39 HD2 TYR 39 11.680 -9.907 -0.870 311 HE1 TYR 39 HE1 TYR 39 14.405 -12.981 1.820 312 HE2 TYR 39 HE2 TYR 39 13.941 -10.488 -1.602 313 HH TYR 39 HH TYR 39 15.996 -11.275 -0.658 314 H ASN 40 H ASN 40 8.739 -10.044 -0.898 315 HA ASN 40 HA ASN 40 9.877 -11.514 -3.095 316 HB2 ASN 40 1HB ASN 40 7.485 -12.278 -3.000 317 HB3 ASN 40 2HB ASN 40 6.973 -10.596 -3.070 318 HD21 ASN 40 2HD2 ASN 40 8.249 -13.268 -4.819 319 HD22 ASN 40 1HD2 ASN 40 8.080 -12.591 -6.394 320 H GLY 41 H GLY 41 10.886 -10.004 -4.325 321 HA2 GLY 41 1HA GLY 41 10.785 -7.279 -3.347 322 HA3 GLY 41 2HA GLY 41 11.882 -7.907 -4.564 323 H LYS 42 H LYS 42 8.941 -8.870 -5.547 324 HA LYS 42 HA LYS 42 8.760 -6.600 -7.371 325 HB2 LYS 42 1HB LYS 42 7.502 -9.330 -7.595 326 HB3 LYS 42 2HB LYS 42 7.579 -8.095 -8.849 327 HG2 LYS 42 1HG LYS 42 9.949 -8.307 -9.009 328 HG3 LYS 42 2HG LYS 42 9.994 -9.393 -7.624 329 HD2 LYS 42 1HD LYS 42 8.586 -10.982 -8.921 330 HD3 LYS 42 2HD LYS 42 8.750 -9.914 -10.315 331 HE2 LYS 42 1HE LYS 42 11.024 -11.228 -8.833 332 HE3 LYS 42 2HE LYS 42 10.346 -11.780 -10.360 333 HZ1 LYS 42 3HZ LYS 42 12.377 -10.484 -10.645 334 HZ2 LYS 42 1HZ LYS 42 11.664 -9.143 -9.926 335 HZ3 LYS 42 2HZ LYS 42 11.083 -9.724 -11.399 336 H VAL 43 H VAL 43 6.709 -8.726 -5.375 337 HA VAL 43 HA VAL 43 4.803 -6.522 -5.091 338 HB VAL 43 HB VAL 43 2.894 -8.082 -5.229 339 HG11 VAL 43 1HG1 VAL 43 4.605 -8.116 -7.705 340 HG12 VAL 43 2HG1 VAL 43 3.472 -6.852 -7.234 341 HG13 VAL 43 3HG1 VAL 43 2.877 -8.456 -7.653 342 HG21 VAL 43 3HG2 VAL 43 4.930 -10.140 -6.103 343 HG22 VAL 43 1HG2 VAL 43 3.180 -10.350 -6.152 344 HG23 VAL 43 2HG2 VAL 43 4.004 -10.157 -4.605 345 H LEU 44 H LEU 44 3.521 -6.652 -3.208 346 HA LEU 44 HA LEU 44 4.315 -8.613 -1.173 347 HB2 LEU 44 1HB LEU 44 5.493 -6.526 -0.683 348 HB3 LEU 44 2HB LEU 44 4.006 -5.620 -0.828 349 HG LEU 44 HG LEU 44 3.139 -6.758 1.197 350 HD11 LEU 44 1HD1 LEU 44 4.610 -8.022 2.626 351 HD12 LEU 44 2HD1 LEU 44 5.907 -7.898 1.448 352 HD13 LEU 44 3HD1 LEU 44 4.446 -8.817 1.060 353 HD21 LEU 44 3HD2 LEU 44 4.203 -4.585 1.378 354 HD22 LEU 44 1HD2 LEU 44 5.782 -5.356 1.535 355 HD23 LEU 44 2HD2 LEU 44 4.567 -5.572 2.792 356 H SER 45 H SER 45 2.502 -9.683 -0.572 357 HA SER 45 HA SER 45 -0.054 -8.439 -1.168 358 HB2 SER 45 1HB SER 45 0.540 -11.236 -0.196 359 HB3 SER 45 2HB SER 45 -1.000 -10.648 -0.828 360 HG SER 45 HG SER 45 1.298 -10.358 -2.382 361 H ILE 46 H ILE 46 -0.642 -7.072 0.374 362 HA ILE 46 HA ILE 46 -0.354 -7.864 3.179 363 HB ILE 46 HB ILE 46 -0.874 -5.494 3.726 364 HG12 ILE 46 1HG1 ILE 46 -0.706 -5.034 0.728 365 HG13 ILE 46 2HG1 ILE 46 -2.172 -4.947 1.698 366 HG21 ILE 46 1HG2 ILE 46 1.463 -5.839 1.865 367 HG22 ILE 46 2HG2 ILE 46 1.435 -6.211 3.591 368 HG23 ILE 46 3HG2 ILE 46 1.272 -4.541 3.043 369 HD11 ILE 46 3HD1 ILE 46 -1.305 -2.735 1.171 370 HD12 ILE 46 1HD1 ILE 46 0.223 -3.138 1.959 371 HD13 ILE 46 2HD1 ILE 46 -1.263 -3.041 2.908 372 H ARG 47 H ARG 47 -2.273 -7.095 4.538 373 HA ARG 47 HA ARG 47 -4.711 -7.685 3.028 374 HB2 ARG 47 1HB ARG 47 -4.218 -8.135 5.964 375 HB3 ARG 47 2HB ARG 47 -5.680 -8.508 5.067 376 HG2 ARG 47 1HG ARG 47 -4.368 -10.109 3.704 377 HG3 ARG 47 2HG ARG 47 -3.005 -9.830 4.797 378 HD2 ARG 47 1HD ARG 47 -4.477 -10.434 6.682 379 HD3 ARG 47 2HD ARG 47 -5.728 -10.848 5.509 380 HE ARG 47 HE ARG 47 -3.124 -12.171 5.427 381 HH11 ARG 47 1HH1 ARG 47 -6.656 -12.420 5.745 382 HH12 ARG 47 2HH1 ARG 47 -6.652 -14.118 5.854 383 HH21 ARG 47 1HH2 ARG 47 -3.150 -14.501 5.577 384 HH22 ARG 47 2HH2 ARG 47 -4.650 -15.326 5.747 385 H GLN 48 H GLN 48 -6.664 -6.794 4.372 386 HA GLN 48 HA GLN 48 -6.548 -3.979 4.290 387 HB2 GLN 48 1HB GLN 48 -8.639 -5.805 5.516 388 HB3 GLN 48 2HB GLN 48 -8.824 -4.070 5.353 389 HG2 GLN 48 1HG GLN 48 -10.026 -5.147 3.585 390 HG3 GLN 48 2HG GLN 48 -8.642 -4.305 2.905 391 HE21 GLN 48 2HE2 GLN 48 -8.510 -7.480 4.544 392 HE22 GLN 48 1HE2 GLN 48 -8.066 -8.324 3.094 393 H ASP 49 H ASP 49 -6.369 -6.288 6.866 394 HA ASP 49 HA ASP 49 -6.399 -4.470 9.024 395 HB2 ASP 49 1HB ASP 49 -5.457 -6.300 10.389 396 HB3 ASP 49 2HB ASP 49 -6.805 -6.857 9.414 397 H ASP 50 H ASP 50 -3.936 -5.386 6.818 398 HA ASP 50 HA ASP 50 -1.846 -4.274 8.504 399 HB2 ASP 50 1HB ASP 50 -1.573 -6.279 6.892 400 HB3 ASP 50 2HB ASP 50 -1.517 -5.056 5.625 401 H LEU 51 H LEU 51 -3.598 -3.588 5.566 402 HA LEU 51 HA LEU 51 -2.448 -1.247 4.640 403 HB2 LEU 51 1HB LEU 51 -4.265 -2.597 3.571 404 HB3 LEU 51 2HB LEU 51 -5.389 -1.921 4.728 405 HG LEU 51 HG LEU 51 -4.753 0.353 3.772 406 HD11 LEU 51 1HD1 LEU 51 -3.910 0.337 1.470 407 HD12 LEU 51 2HD1 LEU 51 -3.635 -1.399 1.596 408 HD13 LEU 51 3HD1 LEU 51 -2.734 -0.285 2.624 409 HD21 LEU 51 3HD2 LEU 51 -6.189 -1.642 2.021 410 HD22 LEU 51 1HD2 LEU 51 -6.310 0.112 1.895 411 HD23 LEU 51 2HD2 LEU 51 -6.898 -0.705 3.340 412 H ARG 52 H ARG 52 -4.690 -1.779 7.247 413 HA ARG 52 HA ARG 52 -5.464 0.835 7.809 414 HB2 ARG 52 1HB ARG 52 -5.323 -1.625 9.508 415 HB3 ARG 52 2HB ARG 52 -5.880 -0.092 10.157 416 HG2 ARG 52 1HG ARG 52 -7.711 -0.026 8.613 417 HG3 ARG 52 2HG ARG 52 -7.090 -1.431 7.745 418 HD2 ARG 52 1HD ARG 52 -8.962 -1.981 9.254 419 HD3 ARG 52 2HD ARG 52 -7.478 -2.838 9.651 420 HE ARG 52 HE ARG 52 -7.921 -0.387 11.102 421 HH11 ARG 52 1HH1 ARG 52 -8.471 -3.877 11.057 422 HH12 ARG 52 2HH1 ARG 52 -8.488 -4.045 12.752 423 HH21 ARG 52 1HH2 ARG 52 -8.053 -0.584 13.429 424 HH22 ARG 52 2HH2 ARG 52 -8.301 -2.106 14.138 425 H THR 53 H THR 53 -2.484 -0.829 8.617 426 HA THR 53 HA THR 53 -1.685 0.924 10.673 427 HB THR 53 HB THR 53 0.097 -0.653 8.792 428 HG1 THR 53 HG1 THR 53 -0.567 -2.375 9.752 429 HG21 THR 53 3HG2 THR 53 0.458 0.229 11.671 430 HG22 THR 53 1HG2 THR 53 1.262 0.943 10.274 431 HG23 THR 53 2HG2 THR 53 1.613 -0.723 10.736 432 H LEU 54 H LEU 54 -1.300 0.884 7.168 433 HA LEU 54 HA LEU 54 0.458 3.074 6.871 434 HB2 LEU 54 1HB LEU 54 -1.665 1.990 5.036 435 HB3 LEU 54 2HB LEU 54 -0.532 3.243 4.574 436 HG LEU 54 HG LEU 54 0.244 0.449 5.397 437 HD11 LEU 54 1HD1 LEU 54 0.749 0.135 3.023 438 HD12 LEU 54 2HD1 LEU 54 0.112 1.741 2.670 439 HD13 LEU 54 3HD1 LEU 54 -0.963 0.480 3.265 440 HD21 LEU 54 3HD2 LEU 54 2.424 1.122 4.490 441 HD22 LEU 54 1HD2 LEU 54 1.954 2.071 5.897 442 HD23 LEU 54 2HD2 LEU 54 1.814 2.764 4.283 443 H ALA 55 H ALA 55 -2.986 2.828 7.134 444 HA ALA 55 HA ALA 55 -3.701 5.454 6.509 445 HB1 ALA 55 3HB ALA 55 -5.775 4.968 7.719 446 HB2 ALA 55 1HB ALA 55 -5.032 3.533 8.421 447 HB3 ALA 55 2HB ALA 55 -5.315 3.618 6.682 448 H VAL 56 H VAL 56 -2.623 3.966 9.496 449 HA VAL 56 HA VAL 56 -3.172 6.245 11.110 450 HB VAL 56 HB VAL 56 -1.343 3.892 11.716 451 HG11 VAL 56 1HG1 VAL 56 -1.723 4.461 14.068 452 HG12 VAL 56 2HG1 VAL 56 -2.684 5.855 13.574 453 HG13 VAL 56 3HG1 VAL 56 -0.963 5.789 13.190 454 HG21 VAL 56 3HG2 VAL 56 -3.257 2.940 12.925 455 HG22 VAL 56 1HG2 VAL 56 -3.594 3.123 11.204 456 HG23 VAL 56 2HG2 VAL 56 -4.267 4.271 12.360 457 H ILE 57 H ILE 57 -0.435 5.064 9.288 458 HA ILE 57 HA ILE 57 1.530 6.815 10.383 459 HB ILE 57 HB ILE 57 1.586 5.647 7.579 460 HG12 ILE 57 1HG1 ILE 57 2.520 4.408 10.190 461 HG13 ILE 57 2HG1 ILE 57 1.200 3.886 9.128 462 HG21 ILE 57 1HG2 ILE 57 3.807 6.552 9.427 463 HG22 ILE 57 2HG2 ILE 57 3.245 7.396 7.985 464 HG23 ILE 57 3HG2 ILE 57 4.033 5.823 7.835 465 HD11 ILE 57 3HD1 ILE 57 2.788 3.327 7.386 466 HD12 ILE 57 1HD1 ILE 57 3.177 2.467 8.879 467 HD13 ILE 57 2HD1 ILE 57 4.119 3.877 8.401 468 H TYR 58 H TYR 58 -0.490 6.975 7.473 469 HA TYR 58 HA TYR 58 0.664 9.566 6.811 470 HB2 TYR 58 1HB TYR 58 -1.534 8.149 5.304 471 HB3 TYR 58 2HB TYR 58 -0.487 9.432 4.711 472 HD1 TYR 58 HD2 TYR 58 2.176 8.304 5.743 473 HD2 TYR 58 HD1 TYR 58 -1.105 6.492 3.742 474 HE1 TYR 58 HE2 TYR 58 3.669 6.524 4.885 475 HE2 TYR 58 HE1 TYR 58 0.379 4.737 2.891 476 HH TYR 58 HH TYR 58 2.667 4.390 2.454 477 H ASP 59 H ASP 59 -1.717 8.574 8.799 478 HA ASP 59 HA ASP 59 -3.273 9.616 10.043 479 HB2 ASP 59 1HB ASP 59 -2.545 12.205 8.623 480 HB3 ASP 59 2HB ASP 59 -3.391 12.010 10.156 481 H GLN 60 H GLN 60 -3.873 8.454 7.506 482 HA GLN 60 HA GLN 60 -6.148 10.082 6.618 483 HB2 GLN 60 1HB GLN 60 -4.470 8.135 5.030 484 HB3 GLN 60 2HB GLN 60 -5.939 8.898 4.437 485 HG2 GLN 60 1HG GLN 60 -4.894 11.090 4.647 486 HG3 GLN 60 2HG GLN 60 -3.431 10.337 5.270 487 HE21 GLN 60 2HE2 GLN 60 -3.863 11.991 2.913 488 HE22 GLN 60 1HE2 GLN 60 -3.329 11.065 1.565 489 H SER 61 H SER 61 -7.944 8.719 5.723 490 HA SER 61 HA SER 61 -8.447 6.541 7.564 491 HB2 SER 61 1HB SER 61 -10.151 8.318 7.260 492 HB3 SER 61 2HB SER 61 -10.257 7.923 5.550 493 HG SER 61 HG SER 61 -11.853 7.038 7.079 494 HA PRO 62 HA PRO 62 -7.508 3.127 4.827 495 HB2 PRO 62 1HB PRO 62 -10.242 2.222 5.641 496 HB3 PRO 62 2HB PRO 62 -8.736 1.300 5.573 497 HG2 PRO 62 1HG PRO 62 -9.641 2.184 7.898 498 HG3 PRO 62 2HG PRO 62 -7.909 2.246 7.526 499 HD2 PRO 62 1HD PRO 62 -9.898 4.458 7.640 500 HD3 PRO 62 2HD PRO 62 -8.155 4.469 7.986 501 H SER 63 H SER 63 -10.649 4.761 4.507 502 HA SER 63 HA SER 63 -11.515 3.607 2.129 503 HB2 SER 63 1HB SER 63 -12.759 5.878 1.994 504 HB3 SER 63 2HB SER 63 -13.085 4.821 3.370 505 HG SER 63 HG SER 63 -12.626 6.598 4.420 506 H VAL 64 H VAL 64 -9.896 6.721 2.629 507 HA VAL 64 HA VAL 64 -9.382 7.075 -0.162 508 HB VAL 64 HB VAL 64 -9.733 9.019 1.340 509 HG11 VAL 64 1HG1 VAL 64 -7.939 9.838 2.792 510 HG12 VAL 64 2HG1 VAL 64 -7.046 8.349 2.491 511 HG13 VAL 64 3HG1 VAL 64 -8.598 8.289 3.326 512 HG21 VAL 64 3HG2 VAL 64 -7.054 9.039 -0.045 513 HG22 VAL 64 1HG2 VAL 64 -7.954 10.470 0.460 514 HG23 VAL 64 2HG2 VAL 64 -8.618 9.401 -0.773 515 H LEU 65 H LEU 65 -7.705 5.686 2.472 516 HA LEU 65 HA LEU 65 -5.062 5.719 1.514 517 HB2 LEU 65 1HB LEU 65 -6.117 4.983 3.814 518 HB3 LEU 65 2HB LEU 65 -6.198 3.409 3.063 519 HG LEU 65 HG LEU 65 -4.266 3.593 4.533 520 HD11 LEU 65 1HD1 LEU 65 -3.418 3.496 1.659 521 HD12 LEU 65 2HD1 LEU 65 -4.003 2.146 2.632 522 HD13 LEU 65 3HD1 LEU 65 -2.475 2.927 3.037 523 HD21 LEU 65 3HD2 LEU 65 -3.315 5.811 2.743 524 HD22 LEU 65 1HD2 LEU 65 -2.461 5.101 4.110 525 HD23 LEU 65 2HD2 LEU 65 -3.955 6.008 4.375 526 H THR 66 H THR 66 -7.701 3.367 1.090 527 HA THR 66 HA THR 66 -6.296 1.567 -0.556 528 HB THR 66 HB THR 66 -9.276 2.145 -0.566 529 HG1 THR 66 HG1 THR 66 -8.808 1.646 1.518 530 HG21 THR 66 3HG2 THR 66 -9.480 -0.224 -1.223 531 HG22 THR 66 1HG2 THR 66 -7.722 -0.367 -1.251 532 HG23 THR 66 2HG2 THR 66 -8.542 0.686 -2.408 533 H GLU 67 H GLU 67 -8.192 4.478 -1.234 534 HA GLU 67 HA GLU 67 -8.311 4.260 -4.031 535 HB2 GLU 67 1HB GLU 67 -8.292 6.788 -2.372 536 HB3 GLU 67 2HB GLU 67 -8.816 6.661 -4.043 537 HG2 GLU 67 1HG GLU 67 -10.633 5.166 -3.341 538 HG3 GLU 67 2HG GLU 67 -10.115 5.347 -1.671 539 H GLN 68 H GLN 68 -5.875 5.582 -1.861 540 HA GLN 68 HA GLN 68 -4.216 6.976 -3.539 541 HB2 GLN 68 1HB GLN 68 -3.533 5.158 -1.238 542 HB3 GLN 68 2HB GLN 68 -2.383 6.239 -2.006 543 HG2 GLN 68 1HG GLN 68 -4.901 7.070 -0.586 544 HG3 GLN 68 2HG GLN 68 -3.284 7.105 0.108 545 HE21 GLN 68 2HE2 GLN 68 -5.475 8.585 -2.117 546 HE22 GLN 68 1HE2 GLN 68 -4.539 9.996 -2.393 547 H LEU 69 H LEU 69 -3.843 3.551 -2.650 548 HA LEU 69 HA LEU 69 -1.762 3.024 -4.432 549 HB2 LEU 69 1HB LEU 69 -3.738 1.150 -3.146 550 HB3 LEU 69 2HB LEU 69 -2.419 0.606 -4.150 551 HG LEU 69 HG LEU 69 -1.804 0.273 -1.901 552 HD11 LEU 69 1HD1 LEU 69 -0.026 1.001 -3.337 553 HD12 LEU 69 2HD1 LEU 69 0.227 1.551 -1.684 554 HD13 LEU 69 3HD1 LEU 69 -0.337 2.685 -2.909 555 HD21 LEU 69 3HD2 LEU 69 -2.367 3.187 -1.367 556 HD22 LEU 69 1HD2 LEU 69 -1.648 2.053 -0.224 557 HD23 LEU 69 2HD2 LEU 69 -3.310 1.820 -0.774 558 H ILE 70 H ILE 70 -5.218 2.819 -4.882 559 HA ILE 70 HA ILE 70 -5.115 1.535 -7.403 560 HB ILE 70 HB ILE 70 -7.281 3.321 -6.233 561 HG12 ILE 70 1HG1 ILE 70 -7.081 0.296 -6.358 562 HG13 ILE 70 2HG1 ILE 70 -6.775 1.271 -4.927 563 HG21 ILE 70 1HG2 ILE 70 -8.787 2.299 -7.895 564 HG22 ILE 70 2HG2 ILE 70 -7.418 1.438 -8.596 565 HG23 ILE 70 3HG2 ILE 70 -7.481 3.201 -8.669 566 HD11 ILE 70 3HD1 ILE 70 -9.099 2.005 -4.926 567 HD12 ILE 70 1HD1 ILE 70 -8.982 0.249 -4.859 568 HD13 ILE 70 2HD1 ILE 70 -9.414 1.044 -6.371 569 H SER 71 H SER 71 -5.417 4.972 -6.482 570 HA SER 71 HA SER 71 -5.441 5.942 -9.107 571 HB2 SER 71 1HB SER 71 -4.922 8.171 -8.053 572 HB3 SER 71 2HB SER 71 -6.320 7.339 -7.376 573 HG SER 71 HG SER 71 -4.280 6.564 -5.898 574 H TRP 72 H TRP 72 -2.736 5.189 -6.998 575 HA TRP 72 HA TRP 72 -0.813 6.501 -8.670 576 HB2 TRP 72 1HB TRP 72 -0.398 4.363 -6.585 577 HB3 TRP 72 2HB TRP 72 0.879 5.291 -7.350 578 HD1 TRP 72 HD1 TRP 72 -0.936 8.131 -6.986 579 HE1 TRP 72 HE1 TRP 72 -0.874 9.194 -4.647 580 HE3 TRP 72 HE3 TRP 72 0.644 4.096 -4.321 581 HZ2 TRP 72 HZ2 TRP 72 -0.214 8.420 -2.014 582 HZ3 TRP 72 HZ3 TRP 72 0.983 4.335 -1.884 583 HH2 TRP 72 HH2 TRP 72 0.562 6.457 -0.760 584 H GLY 73 H GLY 73 -2.463 3.555 -8.854 585 HA2 GLY 73 1HA GLY 73 -2.454 2.103 -10.673 586 HA3 GLY 73 2HA GLY 73 -0.952 2.837 -11.228 587 H VAL 74 H VAL 74 -1.515 1.647 -8.019 588 HA VAL 74 HA VAL 74 0.570 -0.427 -8.415 589 HB VAL 74 HB VAL 74 -0.366 0.904 -5.851 590 HG11 VAL 74 1HG1 VAL 74 1.945 -0.951 -6.381 591 HG12 VAL 74 2HG1 VAL 74 0.485 -1.329 -5.466 592 HG13 VAL 74 3HG1 VAL 74 1.622 -0.126 -4.859 593 HG21 VAL 74 3HG2 VAL 74 0.807 2.498 -7.267 594 HG22 VAL 74 1HG2 VAL 74 2.159 1.380 -7.435 595 HG23 VAL 74 2HG2 VAL 74 1.782 2.081 -5.861 596 H LEU 75 H LEU 75 -2.620 0.245 -7.102 597 HA LEU 75 HA LEU 75 -2.998 -2.635 -6.695 598 HB2 LEU 75 1HB LEU 75 -3.103 -1.297 -4.648 599 HB3 LEU 75 2HB LEU 75 -4.356 -0.294 -5.351 600 HG LEU 75 HG LEU 75 -5.838 -2.303 -5.393 601 HD11 LEU 75 1HD1 LEU 75 -4.149 -4.041 -5.433 602 HD12 LEU 75 2HD1 LEU 75 -5.204 -4.249 -4.035 603 HD13 LEU 75 3HD1 LEU 75 -3.590 -3.564 -3.832 604 HD21 LEU 75 3HD2 LEU 75 -6.272 -2.298 -2.979 605 HD22 LEU 75 1HD2 LEU 75 -5.976 -0.672 -3.587 606 HD23 LEU 75 2HD2 LEU 75 -4.712 -1.523 -2.703 607 H ASP 76 H ASP 76 -5.016 -3.487 -7.318 608 HA ASP 76 HA ASP 76 -6.070 -2.322 -9.712 609 HB2 ASP 76 1HB ASP 76 -5.767 -4.720 -9.649 610 HB3 ASP 76 2HB ASP 76 -6.803 -4.850 -8.231 611 H ALA 77 H ALA 77 -8.180 -1.754 -10.099 612 HA ALA 77 HA ALA 77 -9.344 -0.073 -8.225 613 HB1 ALA 77 3HB ALA 77 -11.152 0.206 -9.814 614 HB2 ALA 77 1HB ALA 77 -10.642 -1.243 -10.680 615 HB3 ALA 77 2HB ALA 77 -9.600 0.179 -10.650 616 H ASP 78 H ASP 78 -10.388 -3.340 -9.221 617 HA ASP 78 HA ASP 78 -12.798 -3.304 -7.796 618 HB2 ASP 78 1HB ASP 78 -12.473 -4.909 -9.586 619 HB3 ASP 78 2HB ASP 78 -11.207 -5.721 -8.676 620 H ALA 79 H ALA 79 -9.631 -3.826 -6.682 621 HA ALA 79 HA ALA 79 -9.987 -5.457 -4.419 622 HB1 ALA 79 3HB ALA 79 -7.783 -4.809 -5.314 623 HB2 ALA 79 1HB ALA 79 -7.918 -4.509 -3.580 624 HB3 ALA 79 2HB ALA 79 -8.045 -3.170 -4.719 625 H ARG 80 H ARG 80 -10.851 -2.173 -4.937 626 HA ARG 80 HA ARG 80 -11.142 -1.101 -2.392 627 HB2 ARG 80 1HB ARG 80 -12.883 0.325 -3.347 628 HB3 ARG 80 2HB ARG 80 -11.527 0.176 -4.462 629 HG2 ARG 80 1HG ARG 80 -12.842 -1.580 -5.677 630 HG3 ARG 80 2HG ARG 80 -14.212 -1.192 -4.640 631 HD2 ARG 80 1HD ARG 80 -12.774 0.754 -6.415 632 HD3 ARG 80 2HD ARG 80 -14.244 -0.079 -6.873 633 HE ARG 80 HE ARG 80 -14.318 1.459 -4.401 634 HH11 ARG 80 1HH1 ARG 80 -15.076 1.480 -7.884 635 HH12 ARG 80 2HH1 ARG 80 -16.112 2.839 -7.739 636 HH21 ARG 80 1HH2 ARG 80 -15.764 3.295 -4.304 637 HH22 ARG 80 2HH2 ARG 80 -16.485 3.893 -5.731 638 H ARG 81 H ARG 81 -12.946 -3.612 -3.915 639 HA ARG 81 HA ARG 81 -15.468 -3.638 -2.752 640 HB2 ARG 81 1HB ARG 81 -14.610 -5.108 -4.572 641 HB3 ARG 81 2HB ARG 81 -13.693 -5.992 -3.372 642 HG2 ARG 81 1HG ARG 81 -15.619 -7.272 -3.862 643 HG3 ARG 81 2HG ARG 81 -15.871 -6.567 -2.267 644 HD2 ARG 81 1HD ARG 81 -17.289 -4.862 -3.194 645 HD3 ARG 81 2HD ARG 81 -16.957 -5.424 -4.832 646 HE ARG 81 HE ARG 81 -18.268 -7.147 -2.844 647 HH11 ARG 81 1HH1 ARG 81 -18.229 -5.689 -6.091 648 HH12 ARG 81 2HH1 ARG 81 -19.638 -6.480 -6.584 649 HH21 ARG 81 1HH2 ARG 81 -20.163 -8.229 -3.560 650 HH22 ARG 81 2HH2 ARG 81 -20.771 -7.963 -5.126 651 H ALA 82 H ALA 82 -12.377 -4.629 -1.482 652 HA ALA 82 HA ALA 82 -13.219 -6.353 0.560 653 HB1 ALA 82 3HB ALA 82 -10.986 -6.328 -0.394 654 HB2 ALA 82 1HB ALA 82 -10.958 -6.181 1.363 655 HB3 ALA 82 2HB ALA 82 -10.690 -4.760 0.354 656 H VAL 83 H VAL 83 -12.947 -2.873 0.471 657 HA VAL 83 HA VAL 83 -13.866 -2.777 3.247 658 HB VAL 83 HB VAL 83 -11.367 -2.523 3.111 659 HG11 VAL 83 1HG1 VAL 83 -11.944 0.029 1.650 660 HG12 VAL 83 2HG1 VAL 83 -11.094 -1.388 1.040 661 HG13 VAL 83 3HG1 VAL 83 -10.379 -0.420 2.327 662 HG21 VAL 83 3HG2 VAL 83 -12.865 -0.138 4.198 663 HG22 VAL 83 1HG2 VAL 83 -11.201 -0.552 4.614 664 HG23 VAL 83 2HG2 VAL 83 -12.518 -1.642 5.047 665 H ALA 84 H ALA 84 -15.048 -2.503 0.668 666 HA ALA 84 HA ALA 84 -15.274 0.033 -0.402 667 HB1 ALA 84 3HB ALA 84 -15.945 -1.988 -1.554 668 HB2 ALA 84 1HB ALA 84 -17.224 -0.780 -1.582 669 HB3 ALA 84 2HB ALA 84 -17.334 -2.155 -0.484 670 H SER 85 H SER 85 -16.042 1.822 0.334 671 HA SER 85 HA SER 85 -18.693 1.905 1.448 672 HB2 SER 85 1HB SER 85 -16.298 3.304 2.687 673 HB3 SER 85 2HB SER 85 -17.980 3.553 3.165 674 HG SER 85 HG SER 85 -17.540 0.987 3.111 675 H HIS 86 H HIS 86 -19.785 3.711 0.748 676 HA HIS 86 HA HIS 86 -20.367 5.441 -0.512 677 HB2 HIS 86 1HB HIS 86 -18.697 6.760 0.721 678 HB3 HIS 86 2HB HIS 86 -17.442 6.256 -0.404 679 HD1 HIS 86 HD1 HIS 86 -20.412 8.580 -0.136 680 HD2 HIS 86 HD2 HIS 86 -17.372 7.645 -2.806 681 HE1 HIS 86 HE1 HIS 86 -20.478 10.336 -1.895 682 H ASP 87 H ASP 87 -21.108 4.568 -2.264 683 HA ASP 87 HA ASP 87 -19.300 3.755 -4.404 684 HB2 ASP 87 1HB ASP 87 -22.295 3.466 -4.076 685 HB3 ASP 87 2HB ASP 87 -21.434 3.017 -5.544 686 H GLU 88 H GLU 88 -19.745 4.505 -6.619 687 HA GLU 88 HA GLU 88 -19.859 7.340 -6.620 688 HB2 GLU 88 1HB GLU 88 -19.643 5.381 -8.913 689 HB3 GLU 88 2HB GLU 88 -19.741 7.111 -9.153 690 HG2 GLU 88 1HG GLU 88 -17.456 6.409 -9.306 691 HG3 GLU 88 2HG GLU 88 -17.654 7.391 -7.868 692 H LEU 89 H LEU 89 -21.556 8.466 -6.465 693 HA LEU 89 HA LEU 89 -23.596 9.318 -6.624 694 HB2 LEU 89 1HB LEU 89 -23.666 7.860 -9.279 695 HB3 LEU 89 2HB LEU 89 -24.927 8.941 -8.748 696 HG LEU 89 HG LEU 89 -23.145 10.770 -8.682 697 HD11 LEU 89 1HD1 LEU 89 -21.158 9.377 -8.696 698 HD12 LEU 89 2HD1 LEU 89 -21.177 10.470 -10.081 699 HD13 LEU 89 3HD1 LEU 89 -21.583 8.768 -10.295 700 HD21 LEU 89 3HD2 LEU 89 -23.288 11.178 -11.080 701 HD22 LEU 89 1HD2 LEU 89 -24.832 10.638 -10.422 702 HD23 LEU 89 2HD2 LEU 89 -23.817 9.517 -11.334
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