NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
582287 | 2mhm | 19638 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 THR -5 1HT THR -5 -18.860 -6.342 -0.152 2 H2 THR -5 2HT THR -5 -18.529 -4.910 0.701 3 H3 THR -5 3HT THR -5 -20.107 -5.537 0.668 4 HA THR -5 HA THR -5 -18.840 -5.933 2.781 5 HB THR -5 HB THR -5 -19.363 -8.649 2.015 6 HG1 THR -5 1HG THR -5 -20.863 -6.658 0.763 7 HG21 THR -5 1HG2 THR -5 -19.827 -7.624 4.210 8 HG22 THR -5 2HG2 THR -5 -21.285 -8.336 3.522 9 HG23 THR -5 3HG2 THR -5 -21.047 -6.591 3.467 10 H GLU -4 H GLU -4 -17.035 -6.226 0.112 11 HA GLU -4 HA GLU -4 -15.389 -8.505 0.500 12 HB2 GLU -4 2HB GLU -4 -15.314 -6.991 -1.498 13 HB3 GLU -4 1HB GLU -4 -14.497 -5.785 -0.502 14 HG2 GLU -4 2HG GLU -4 -12.705 -7.449 -0.016 15 HG3 GLU -4 1HG GLU -4 -13.496 -8.581 -1.113 16 H PHE -3 H PHE -3 -15.431 -5.383 2.126 17 HA PHE -3 HA PHE -3 -12.936 -6.033 3.582 18 HB2 PHE -3 2HB PHE -3 -13.370 -3.702 2.790 19 HB3 PHE -3 1HB PHE -3 -14.770 -3.632 3.860 20 HD1 PHE -3 1HD PHE -3 -14.444 -3.894 6.350 21 HD2 PHE -3 2HD PHE -3 -11.156 -3.400 3.629 22 HE1 PHE -3 1HE PHE -3 -12.969 -3.264 8.244 23 HE2 PHE -3 2HE PHE -3 -9.684 -2.768 5.524 24 HZ PHE -3 HZ PHE -3 -10.593 -2.702 7.829 25 H LYS -2 H LYS -2 -12.953 -6.913 5.603 26 HA LYS -2 HA LYS -2 -15.599 -7.252 6.931 27 HB2 LYS -2 2HB LYS -2 -14.546 -9.079 8.163 28 HB3 LYS -2 1HB LYS -2 -14.267 -9.305 6.436 29 HG2 LYS -2 2HG LYS -2 -12.041 -8.179 6.708 30 HG3 LYS -2 1HG LYS -2 -12.318 -8.153 8.450 31 HD2 LYS -2 2HD LYS -2 -12.285 -10.650 6.734 32 HD3 LYS -2 1HD LYS -2 -10.961 -10.113 7.770 33 HE2 LYS -2 2HE LYS -2 -12.992 -10.042 9.552 34 HE3 LYS -2 1HE LYS -2 -13.559 -11.342 8.506 35 HZ1 LYS -2 3HZ LYS -2 -11.906 -11.773 10.497 36 HZ2 LYS -2 1HZ LYS -2 -10.754 -11.388 9.314 37 HZ3 LYS -2 2HZ LYS -2 -11.832 -12.677 9.060 38 H ALA -1 H ALA -1 -15.601 -7.009 9.329 39 HA ALA -1 HA ALA -1 -14.447 -4.520 10.140 40 HB1 ALA -1 1HB ALA -1 -16.487 -5.574 11.162 41 HB2 ALA -1 2HB ALA -1 -15.301 -5.035 12.349 42 HB3 ALA -1 3HB ALA -1 -15.430 -6.747 11.946 43 H GLY 1 H GLY 1 -12.203 -4.516 9.925 44 HA2 GLY 1 2HA GLY 1 -10.702 -6.539 11.535 45 HA3 GLY 1 1HA GLY 1 -10.032 -5.685 10.146 46 H SER 2 H SER 2 -8.587 -5.577 12.456 47 HA SER 2 HA SER 2 -9.210 -2.884 13.606 48 HB2 SER 2 2HB SER 2 -9.076 -4.780 15.233 49 HB3 SER 2 1HB SER 2 -7.411 -5.055 14.727 50 HG SER 2 HG SER 2 -6.988 -3.621 16.210 51 H ALA 3 H ALA 3 -7.804 -1.255 13.154 52 HA ALA 3 HA ALA 3 -5.607 -1.721 11.314 53 HB1 ALA 3 1HB ALA 3 -6.446 0.381 10.932 54 HB2 ALA 3 2HB ALA 3 -5.199 0.822 12.096 55 HB3 ALA 3 3HB ALA 3 -6.871 0.634 12.624 56 H LYS 4 H LYS 4 -5.905 -1.660 14.759 57 HA LYS 4 HA LYS 4 -3.346 -0.756 15.538 58 HB2 LYS 4 2HB LYS 4 -5.221 -1.323 17.097 59 HB3 LYS 4 1HB LYS 4 -4.902 -3.032 16.800 60 HG2 LYS 4 2HG LYS 4 -2.575 -2.719 17.610 61 HG3 LYS 4 1HG LYS 4 -2.943 -1.030 17.967 62 HD2 LYS 4 2HD LYS 4 -4.788 -1.814 19.478 63 HD3 LYS 4 1HD LYS 4 -4.241 -3.471 19.213 64 HE2 LYS 4 2HE LYS 4 -2.097 -3.003 20.202 65 HE3 LYS 4 1HE LYS 4 -2.438 -1.274 20.258 66 HZ1 LYS 4 3HZ LYS 4 -3.603 -1.498 22.127 67 HZ2 LYS 4 1HZ LYS 4 -2.890 -3.030 22.269 68 HZ3 LYS 4 2HZ LYS 4 -4.431 -2.872 21.570 69 H LYS 5 H LYS 5 -4.347 -4.113 14.740 70 HA LYS 5 HA LYS 5 -1.730 -5.232 15.072 71 HB2 LYS 5 2HB LYS 5 -4.030 -6.123 13.305 72 HB3 LYS 5 1HB LYS 5 -2.598 -7.094 13.651 73 HG2 LYS 5 2HG LYS 5 -3.127 -6.931 16.088 74 HG3 LYS 5 1HG LYS 5 -4.616 -6.080 15.675 75 HD2 LYS 5 2HD LYS 5 -5.304 -8.040 14.288 76 HD3 LYS 5 1HD LYS 5 -3.865 -8.897 14.842 77 HE2 LYS 5 2HE LYS 5 -4.811 -8.188 17.234 78 HE3 LYS 5 1HE LYS 5 -6.338 -8.170 16.352 79 HZ1 LYS 5 3HZ LYS 5 -6.185 -10.346 17.042 80 HZ2 LYS 5 1HZ LYS 5 -4.504 -10.419 16.839 81 HZ3 LYS 5 2HZ LYS 5 -5.526 -10.442 15.480 82 H GLY 6 H GLY 6 -3.432 -4.045 12.175 83 HA2 GLY 6 2HA GLY 6 -1.234 -4.504 10.379 84 HA3 GLY 6 1HA GLY 6 -2.608 -3.444 10.068 85 H ALA 7 H ALA 7 -2.059 -1.886 12.566 86 HA ALA 7 HA ALA 7 -0.508 0.197 11.442 87 HB1 ALA 7 1HB ALA 7 -2.064 0.433 13.396 88 HB2 ALA 7 2HB ALA 7 -0.492 1.185 13.660 89 HB3 ALA 7 3HB ALA 7 -0.858 -0.375 14.396 90 H THR 8 H THR 8 0.471 -2.369 13.723 91 HA THR 8 HA THR 8 3.204 -1.447 13.892 92 HB THR 8 HB THR 8 3.634 -3.582 14.983 93 HG1 THR 8 1HG THR 8 2.609 -5.092 13.861 94 HG21 THR 8 3HG2 THR 8 2.356 -3.158 16.837 95 HG22 THR 8 1HG2 THR 8 0.857 -3.077 15.912 96 HG23 THR 8 2HG2 THR 8 1.959 -1.700 15.927 97 H LEU 9 H LEU 9 1.516 -3.822 11.841 98 HA LEU 9 HA LEU 9 3.825 -4.912 10.570 99 HB2 LEU 9 2HB LEU 9 1.463 -5.772 10.314 100 HB3 LEU 9 1HB LEU 9 1.132 -4.388 9.269 101 HG LEU 9 HG LEU 9 3.299 -5.224 8.004 102 HD11 LEU 9 1HD1 LEU 9 3.893 -7.438 8.283 103 HD12 LEU 9 2HD1 LEU 9 2.286 -7.908 8.839 104 HD13 LEU 9 3HD1 LEU 9 3.387 -7.067 9.931 105 HD21 LEU 9 3HD2 LEU 9 0.655 -6.698 7.786 106 HD22 LEU 9 1HD2 LEU 9 1.861 -6.520 6.512 107 HD23 LEU 9 2HD2 LEU 9 0.979 -5.109 7.094 108 H PHE 10 H PHE 10 1.869 -2.048 9.900 109 HA PHE 10 HA PHE 10 3.206 -1.212 7.513 110 HB2 PHE 10 2HB PHE 10 1.026 -0.301 8.382 111 HB3 PHE 10 1HB PHE 10 1.923 0.519 9.655 112 HD1 PHE 10 2HD PHE 10 1.336 0.345 6.003 113 HD2 PHE 10 1HD PHE 10 3.234 2.485 9.206 114 HE1 PHE 10 2HE PHE 10 1.800 2.235 4.465 115 HE2 PHE 10 1HE PHE 10 3.688 4.374 7.670 116 HZ PHE 10 HZ PHE 10 2.979 4.251 5.304 117 H LYS 11 H LYS 11 3.697 -0.414 10.938 118 HA LYS 11 HA LYS 11 5.918 1.347 10.581 119 HB2 LYS 11 2HB LYS 11 4.509 1.015 12.687 120 HB3 LYS 11 1HB LYS 11 5.440 -0.454 12.965 121 HG2 LYS 11 2HG LYS 11 7.535 0.873 12.920 122 HG3 LYS 11 1HG LYS 11 6.583 2.342 12.707 123 HD2 LYS 11 2HD LYS 11 5.402 1.838 14.851 124 HD3 LYS 11 1HD LYS 11 6.474 0.456 15.079 125 HE2 LYS 11 2HE LYS 11 7.902 2.950 14.468 126 HE3 LYS 11 1HE LYS 11 6.985 3.016 15.972 127 HZ1 LYS 11 3HZ LYS 11 8.972 2.109 16.646 128 HZ2 LYS 11 1HZ LYS 11 9.188 1.218 15.218 129 HZ3 LYS 11 2HZ LYS 11 8.046 0.710 16.369 130 H THR 12 H THR 12 5.714 -2.158 11.049 131 HA THR 12 HA THR 12 8.538 -2.581 11.341 132 HB THR 12 HB THR 12 8.022 -4.938 11.029 133 HG1 THR 12 1HG THR 12 5.431 -4.072 10.283 134 HG21 THR 12 3HG2 THR 12 6.529 -3.172 12.797 135 HG22 THR 12 1HG2 THR 12 7.278 -4.729 13.146 136 HG23 THR 12 2HG2 THR 12 5.650 -4.665 12.470 137 H ARG 13 H ARG 13 6.436 -2.516 8.459 138 HA ARG 13 HA ARG 13 8.897 -2.405 6.829 139 HB2 ARG 13 2HB ARG 13 6.773 -4.534 6.483 140 HB3 ARG 13 1HB ARG 13 8.021 -4.186 5.289 141 HG2 ARG 13 2HG ARG 13 9.749 -4.622 7.063 142 HG3 ARG 13 1HG ARG 13 8.447 -5.136 8.136 143 HD2 ARG 13 2HD ARG 13 9.339 -7.123 7.112 144 HD3 ARG 13 1HD ARG 13 7.772 -6.811 6.366 145 HE ARG 13 HE ARG 13 9.970 -5.594 4.895 146 HH11 ARG 13 1HH2 ARG 13 8.143 -8.452 5.514 147 HH12 ARG 13 2HH2 ARG 13 8.475 -9.158 3.967 148 HH21 ARG 13 1HH1 ARG 13 10.414 -6.500 2.873 149 HH22 ARG 13 2HH1 ARG 13 9.761 -8.054 2.473 150 H CYS 14 H CYS 14 7.470 -0.193 7.013 151 HA CYS 14 HA CYS 14 6.487 0.225 4.342 152 HB2 CYS 14 2HB CYS 14 4.566 -0.997 5.679 153 HB3 CYS 14 1HB CYS 14 4.303 0.613 6.350 154 H LEU 15 H LEU 15 6.053 1.468 7.669 155 HA LEU 15 HA LEU 15 5.849 4.207 6.978 156 HB2 LEU 15 2HB LEU 15 5.413 3.293 9.254 157 HB3 LEU 15 1HB LEU 15 7.142 3.021 9.455 158 HG LEU 15 HG LEU 15 7.392 5.554 8.923 159 HD11 LEU 15 1HD1 LEU 15 5.356 6.845 9.691 160 HD12 LEU 15 2HD1 LEU 15 4.444 5.341 9.578 161 HD13 LEU 15 3HD1 LEU 15 5.170 6.043 8.132 162 HD21 LEU 15 3HD2 LEU 15 6.112 4.529 11.470 163 HD22 LEU 15 1HD2 LEU 15 6.869 6.114 11.315 164 HD23 LEU 15 2HD2 LEU 15 7.839 4.653 11.127 165 H GLN 16 H GLN 16 8.719 2.182 7.489 166 HA GLN 16 HA GLN 16 10.665 4.246 7.455 167 HB2 GLN 16 2HB GLN 16 10.847 1.402 6.418 168 HB3 GLN 16 1HB GLN 16 12.231 2.466 6.674 169 HG2 GLN 16 2HG GLN 16 11.566 2.689 9.071 170 HG3 GLN 16 1HG GLN 16 10.277 1.518 8.789 171 HE21 GLN 16 1HE2 GLN 16 12.705 0.548 6.758 172 HE22 GLN 16 2HE2 GLN 16 13.514 -0.545 7.776 173 H CYS 17 H CYS 17 9.012 2.592 4.788 174 HA CYS 17 HA CYS 17 10.608 4.135 2.827 175 HB2 CYS 17 2HB CYS 17 8.507 1.982 2.510 176 HB3 CYS 17 1HB CYS 17 9.267 2.814 1.155 177 H HIS 18 H HIS 18 7.217 3.767 3.861 178 HA HIS 18 HA HIS 18 6.542 6.173 2.226 179 HB2 HIS 18 2HB HIS 18 4.857 3.928 3.362 180 HB3 HIS 18 1HB HIS 18 4.155 5.392 2.665 181 HD1 HIS 18 1HD HIS 18 4.967 5.881 0.078 182 HD2 HIS 18 2HD HIS 18 5.499 2.013 1.519 183 HE1 HIS 18 1HE HIS 18 5.251 4.391 -1.961 184 H THR 19 H THR 19 6.254 8.051 3.303 185 HA THR 19 HA THR 19 6.126 8.048 6.241 186 HB THR 19 HB THR 19 6.330 10.463 6.049 187 HG1 THR 19 1HG THR 19 5.081 11.029 4.384 188 HG21 THR 19 3HG2 THR 19 8.470 10.570 5.069 189 HG22 THR 19 1HG2 THR 19 8.066 9.366 3.845 190 HG23 THR 19 2HG2 THR 19 8.306 8.874 5.521 191 H VAL 20 H VAL 20 3.985 8.541 3.506 192 HA VAL 20 HA VAL 20 1.675 8.924 3.403 193 HB VAL 20 HB VAL 20 1.870 7.618 6.131 194 HG11 VAL 20 1HG1 VAL 20 -0.262 8.506 6.235 195 HG12 VAL 20 2HG1 VAL 20 -0.607 7.029 5.335 196 HG13 VAL 20 3HG1 VAL 20 -0.437 8.562 4.481 197 HG21 VAL 20 3HG2 VAL 20 1.184 5.601 4.882 198 HG22 VAL 20 1HG2 VAL 20 2.693 6.253 4.241 199 HG23 VAL 20 2HG2 VAL 20 1.179 6.531 3.384 200 H GLU 21 H GLU 21 3.626 10.628 5.466 201 HA GLU 21 HA GLU 21 1.774 12.010 7.141 202 HB2 GLU 21 2HB GLU 21 4.390 12.957 5.931 203 HB3 GLU 21 1HB GLU 21 3.522 13.789 7.221 204 HG2 GLU 21 2HG GLU 21 4.532 10.933 7.375 205 HG3 GLU 21 1HG GLU 21 5.331 12.326 8.104 206 H LYS 22 H LYS 22 0.519 13.854 6.770 207 HA LYS 22 HA LYS 22 -0.287 14.362 4.044 208 HB2 LYS 22 2HB LYS 22 -1.731 14.606 6.127 209 HB3 LYS 22 1HB LYS 22 -0.864 16.109 6.442 210 HG2 LYS 22 2HG LYS 22 -1.523 16.933 4.190 211 HG3 LYS 22 1HG LYS 22 -2.455 15.455 3.946 212 HD2 LYS 22 2HD LYS 22 -3.251 16.427 6.456 213 HD3 LYS 22 1HD LYS 22 -3.182 17.845 5.413 214 HE2 LYS 22 2HE LYS 22 -4.603 15.267 4.696 215 HE3 LYS 22 1HE LYS 22 -5.405 16.693 5.355 216 HZ1 LYS 22 3HZ LYS 22 -3.950 16.469 2.782 217 HZ2 LYS 22 1HZ LYS 22 -4.435 17.952 3.448 218 HZ3 LYS 22 2HZ LYS 22 -5.602 16.797 3.015 219 H GLY 23 H GLY 23 0.208 16.130 2.733 220 HA2 GLY 23 2HA GLY 23 1.665 17.762 1.859 221 HA3 GLY 23 1HA GLY 23 1.424 18.543 3.423 222 H GLY 24 H GLY 24 2.732 15.452 3.789 223 HA2 GLY 24 2HA GLY 24 5.264 16.540 4.725 224 HA3 GLY 24 1HA GLY 24 4.820 14.834 4.696 225 HA PRO 25 HA PRO 25 7.729 16.048 1.105 226 HB2 PRO 25 2HB PRO 25 10.078 15.106 2.113 227 HB3 PRO 25 1HB PRO 25 9.522 16.771 2.374 228 HG2 PRO 25 2HG PRO 25 9.357 14.415 4.194 229 HG3 PRO 25 1HG PRO 25 9.783 16.094 4.559 230 HD2 PRO 25 2HD PRO 25 7.306 15.078 5.065 231 HD3 PRO 25 1HD PRO 25 7.569 16.785 4.644 232 H HIS 26 H HIS 26 9.232 14.356 -0.049 233 HA HIS 26 HA HIS 26 7.915 11.703 0.246 234 HB2 HIS 26 2HB HIS 26 9.489 12.927 -2.041 235 HB3 HIS 26 1HB HIS 26 8.867 11.277 -2.043 236 HD1 HIS 26 1HD HIS 26 6.280 10.967 -2.174 237 HD2 HIS 26 2HD HIS 26 7.520 14.942 -2.406 238 HE1 HIS 26 1HE HIS 26 4.276 12.298 -2.968 239 HE2 HIS 26 2HE HIS 26 5.018 14.719 -3.107 240 H LYS 27 H LYS 27 9.091 9.948 0.884 241 HA LYS 27 HA LYS 27 12.068 10.200 0.937 242 HB2 LYS 27 2HB LYS 27 11.100 10.607 3.211 243 HB3 LYS 27 1HB LYS 27 10.371 9.002 3.146 244 HG2 LYS 27 2HG LYS 27 12.628 8.008 2.848 245 HG3 LYS 27 1HG LYS 27 13.337 9.617 2.991 246 HD2 LYS 27 2HD LYS 27 12.267 9.829 5.249 247 HD3 LYS 27 1HD LYS 27 11.736 8.153 5.107 248 HE2 LYS 27 2HE LYS 27 13.800 8.157 6.358 249 HE3 LYS 27 1HE LYS 27 14.150 7.505 4.757 250 HZ1 LYS 27 3HZ LYS 27 14.542 10.342 5.535 251 HZ2 LYS 27 1HZ LYS 27 14.991 9.622 4.068 252 HZ3 LYS 27 2HZ LYS 27 15.776 9.175 5.507 253 H VAL 28 H VAL 28 13.065 8.427 0.069 254 HA VAL 28 HA VAL 28 13.270 6.335 -0.980 255 HB VAL 28 HB VAL 28 11.358 5.619 1.263 256 HG11 VAL 28 1HG1 VAL 28 11.236 3.900 -0.434 257 HG12 VAL 28 2HG1 VAL 28 12.260 3.295 0.867 258 HG13 VAL 28 3HG1 VAL 28 12.988 3.894 -0.622 259 HG21 VAL 28 3HG2 VAL 28 13.201 5.362 2.600 260 HG22 VAL 28 1HG2 VAL 28 13.904 6.534 1.484 261 HG23 VAL 28 2HG2 VAL 28 14.216 4.812 1.266 262 H GLY 29 H GLY 29 9.938 5.769 0.059 263 HA2 GLY 29 2HA GLY 29 9.177 5.606 -2.818 264 HA3 GLY 29 1HA GLY 29 8.312 4.823 -1.495 265 HA PRO 30 HA PRO 30 6.560 9.136 -2.718 266 HB2 PRO 30 2HB PRO 30 4.203 8.152 -3.796 267 HB3 PRO 30 1HB PRO 30 5.633 8.606 -4.742 268 HG2 PRO 30 2HG PRO 30 4.717 5.915 -3.873 269 HG3 PRO 30 1HG PRO 30 5.471 6.420 -5.395 270 HD2 PRO 30 2HD PRO 30 6.873 5.131 -3.461 271 HD3 PRO 30 1HD PRO 30 7.622 6.353 -4.514 272 H ASN 31 H ASN 31 4.814 10.138 -1.536 273 HA ASN 31 HA ASN 31 3.994 8.627 0.847 274 HB2 ASN 31 2HB ASN 31 3.231 11.448 0.040 275 HB3 ASN 31 1HB ASN 31 3.138 10.743 1.653 276 HD21 ASN 31 1HD2 ASN 31 5.686 9.401 1.696 277 HD22 ASN 31 2HD2 ASN 31 6.902 10.584 1.681 278 H LEU 32 H LEU 32 1.906 7.893 1.256 279 HA LEU 32 HA LEU 32 0.013 8.036 -1.036 280 HB2 LEU 32 2HB LEU 32 0.065 6.243 1.410 281 HB3 LEU 32 1HB LEU 32 -1.169 6.183 0.152 282 HG LEU 32 HG LEU 32 0.622 5.743 -1.530 283 HD11 LEU 32 1HD1 LEU 32 2.290 6.070 0.925 284 HD12 LEU 32 2HD1 LEU 32 2.641 6.526 -0.741 285 HD13 LEU 32 3HD1 LEU 32 2.788 4.843 -0.239 286 HD21 LEU 32 3HD2 LEU 32 0.304 3.892 0.841 287 HD22 LEU 32 1HD2 LEU 32 1.197 3.417 -0.604 288 HD23 LEU 32 2HD2 LEU 32 -0.519 3.814 -0.717 289 H HIS 33 H HIS 33 -2.000 8.981 -0.826 290 HA HIS 33 HA HIS 33 -3.179 9.617 1.745 291 HB2 HIS 33 2HB HIS 33 -1.433 11.382 1.633 292 HB3 HIS 33 1HB HIS 33 -2.096 11.920 0.090 293 HD1 HIS 33 1HD HIS 33 -4.304 13.242 0.127 294 HD2 HIS 33 2HD HIS 33 -3.093 11.962 3.909 295 HE1 HIS 33 1HE HIS 33 -5.786 14.439 1.800 296 HE2 HIS 33 2HE HIS 33 -5.056 13.666 4.103 297 H GLY 34 H GLY 34 -5.048 8.677 0.866 298 HA2 GLY 34 2HA GLY 34 -7.197 9.006 -0.118 299 HA3 GLY 34 1HA GLY 34 -6.555 10.402 -0.988 300 H ILE 35 H ILE 35 -4.426 7.831 -1.241 301 HA ILE 35 HA ILE 35 -4.718 7.551 -4.049 302 HB ILE 35 HB ILE 35 -2.728 6.872 -2.573 303 HG12 ILE 35 2HG1 ILE 35 -3.615 4.747 -4.539 304 HG13 ILE 35 1HG1 ILE 35 -3.071 6.343 -5.057 305 HG21 ILE 35 1HG2 ILE 35 -4.252 4.262 -2.406 306 HG22 ILE 35 2HG2 ILE 35 -4.228 5.435 -1.088 307 HG23 ILE 35 3HG2 ILE 35 -2.727 4.677 -1.622 308 HD11 ILE 35 3HD1 ILE 35 -0.915 6.007 -3.970 309 HD12 ILE 35 1HD1 ILE 35 -1.232 4.657 -5.060 310 HD13 ILE 35 2HD1 ILE 35 -1.453 4.458 -3.320 311 H PHE 36 H PHE 36 -6.490 6.110 -1.441 312 HA PHE 36 HA PHE 36 -7.418 3.750 -2.763 313 HB2 PHE 36 2HB PHE 36 -8.627 5.479 -0.591 314 HB3 PHE 36 1HB PHE 36 -9.352 3.968 -1.131 315 HD1 PHE 36 2HD PHE 36 -6.409 5.487 0.528 316 HD2 PHE 36 1HD PHE 36 -8.363 1.831 -0.607 317 HE1 PHE 36 2HE PHE 36 -4.875 4.205 1.997 318 HE2 PHE 36 1HE PHE 36 -6.826 0.553 0.862 319 HZ PHE 36 HZ PHE 36 -5.084 1.740 2.160 320 H GLY 37 H GLY 37 -8.969 3.491 -4.318 321 HA2 GLY 37 2HA GLY 37 -10.725 4.018 -5.792 322 HA3 GLY 37 1HA GLY 37 -11.125 5.373 -4.735 323 H ARG 38 H ARG 38 -7.863 5.153 -5.884 324 HA ARG 38 HA ARG 38 -8.445 7.104 -8.048 325 HB2 ARG 38 2HB ARG 38 -6.401 7.500 -5.847 326 HB3 ARG 38 1HB ARG 38 -6.576 8.536 -7.265 327 HG2 ARG 38 2HG ARG 38 -8.980 8.913 -6.586 328 HG3 ARG 38 1HG ARG 38 -8.620 8.068 -5.080 329 HD2 ARG 38 2HD ARG 38 -8.334 10.392 -4.602 330 HD3 ARG 38 1HD ARG 38 -6.709 9.726 -4.759 331 HE ARG 38 HE ARG 38 -6.443 10.938 -6.796 332 HH11 ARG 38 1HH2 ARG 38 -9.658 11.040 -5.547 333 HH12 ARG 38 2HH2 ARG 38 -10.171 12.304 -6.612 334 HH21 ARG 38 1HH1 ARG 38 -7.098 12.587 -8.192 335 HH22 ARG 38 2HH1 ARG 38 -8.723 13.178 -8.110 336 H HIS 39 H HIS 39 -6.445 7.456 -9.432 337 HA HIS 39 HA HIS 39 -5.156 4.828 -9.867 338 HB2 HIS 39 2HB HIS 39 -5.239 7.340 -11.562 339 HB3 HIS 39 1HB HIS 39 -4.439 5.840 -12.034 340 HD1 HIS 39 1HD HIS 39 -7.844 7.336 -11.476 341 HD2 HIS 39 2HD HIS 39 -6.196 3.734 -12.784 342 HE1 HIS 39 1HE HIS 39 -9.754 5.987 -12.457 343 HE2 HIS 39 2HE HIS 39 -8.760 3.793 -13.256 344 H SER 40 H SER 40 -2.828 4.709 -10.236 345 HA SER 40 HA SER 40 -1.302 6.146 -8.274 346 HB2 SER 40 2HB SER 40 0.590 4.937 -9.106 347 HB3 SER 40 1HB SER 40 -0.785 3.846 -9.244 348 HG SER 40 HG SER 40 -0.430 5.482 -11.415 349 H GLY 41 H GLY 41 0.652 7.482 -8.832 350 HA2 GLY 41 2HA GLY 41 1.790 9.062 -10.239 351 HA3 GLY 41 1HA GLY 41 0.464 8.947 -11.393 352 H GLN 42 H GLN 42 -0.946 9.193 -8.425 353 HA GLN 42 HA GLN 42 -1.999 11.797 -8.867 354 HB2 GLN 42 2HB GLN 42 -3.010 10.049 -7.375 355 HB3 GLN 42 1HB GLN 42 -1.739 10.385 -6.199 356 HG2 GLN 42 2HG GLN 42 -2.456 12.788 -6.191 357 HG3 GLN 42 1HG GLN 42 -3.808 12.343 -7.234 358 HE21 GLN 42 1HE2 GLN 42 -5.684 11.666 -6.183 359 HE22 GLN 42 2HE2 GLN 42 -5.764 11.190 -4.556 360 H ALA 43 H ALA 43 0.820 10.714 -7.020 361 HA ALA 43 HA ALA 43 1.358 13.110 -5.612 362 HB1 ALA 43 1HB ALA 43 3.696 12.329 -5.529 363 HB2 ALA 43 2HB ALA 43 3.347 11.149 -6.793 364 HB3 ALA 43 3HB ALA 43 2.579 11.001 -5.213 365 H GLU 44 H GLU 44 2.041 12.219 -8.961 366 HA GLU 44 HA GLU 44 3.056 13.470 -10.690 367 HB2 GLU 44 2HB GLU 44 1.427 15.601 -9.267 368 HB3 GLU 44 1HB GLU 44 2.070 15.742 -10.904 369 HG2 GLU 44 2HG GLU 44 0.776 13.724 -11.563 370 HG3 GLU 44 1HG GLU 44 0.088 13.658 -9.939 371 H GLY 45 H GLY 45 4.332 13.486 -7.852 372 HA2 GLY 45 2HA GLY 45 6.190 15.764 -8.411 373 HA3 GLY 45 1HA GLY 45 5.671 15.386 -6.767 374 H TYR 46 H TYR 46 5.736 12.521 -7.078 375 HA TYR 46 HA TYR 46 8.694 12.140 -7.079 376 HB2 TYR 46 2HB TYR 46 7.401 11.555 -5.000 377 HB3 TYR 46 1HB TYR 46 6.546 10.328 -5.934 378 HD1 TYR 46 1HD TYR 46 9.897 11.393 -4.731 379 HD2 TYR 46 2HD TYR 46 7.562 8.230 -6.462 380 HE1 TYR 46 1HE TYR 46 11.771 9.810 -4.367 381 HE2 TYR 46 2HE TYR 46 9.439 6.647 -6.101 382 HH TYR 46 HH TYR 46 12.368 7.638 -4.369 383 H SER 47 H SER 47 9.613 10.742 -8.562 384 HA SER 47 HA SER 47 8.090 9.945 -10.857 385 HB2 SER 47 2HB SER 47 10.113 8.956 -11.653 386 HB3 SER 47 1HB SER 47 10.603 10.374 -10.733 387 HG SER 47 HG SER 47 11.457 9.120 -9.251 388 H TYR 48 H TYR 48 7.658 7.752 -11.579 389 HA TYR 48 HA TYR 48 7.340 5.804 -9.329 390 HB2 TYR 48 2HB TYR 48 5.493 6.422 -11.645 391 HB3 TYR 48 1HB TYR 48 5.348 4.954 -10.679 392 HD1 TYR 48 2HD TYR 48 4.743 5.060 -8.301 393 HD2 TYR 48 1HD TYR 48 4.927 8.603 -10.721 394 HE1 TYR 48 2HE TYR 48 3.484 6.307 -6.569 395 HE2 TYR 48 1HE TYR 48 3.665 9.850 -8.988 396 HH TYR 48 HH TYR 48 2.197 8.230 -6.265 397 H THR 49 H THR 49 7.693 3.589 -9.869 398 HA THR 49 HA THR 49 9.781 3.044 -11.688 399 HB THR 49 HB THR 49 9.160 1.502 -9.870 400 HG1 THR 49 1HG THR 49 10.225 0.383 -11.348 401 HG21 THR 49 3HG2 THR 49 7.006 0.078 -11.042 402 HG22 THR 49 1HG2 THR 49 6.566 1.784 -11.073 403 HG23 THR 49 2HG2 THR 49 6.992 1.013 -9.547 404 H ASP 50 H ASP 50 9.769 2.100 -13.797 405 HA ASP 50 HA ASP 50 7.879 3.117 -15.627 406 HB2 ASP 50 2HB ASP 50 9.718 0.732 -15.853 407 HB3 ASP 50 1HB ASP 50 8.810 1.397 -17.210 408 H ALA 51 H ALA 51 7.911 0.040 -13.879 409 HA ALA 51 HA ALA 51 5.849 -1.266 -15.337 410 HB1 ALA 51 1HB ALA 51 5.771 -1.755 -12.447 411 HB2 ALA 51 2HB ALA 51 7.394 -1.870 -13.125 412 HB3 ALA 51 3HB ALA 51 6.096 -2.877 -13.768 413 H ASN 52 H ASN 52 5.521 0.546 -12.241 414 HA ASN 52 HA ASN 52 2.683 0.501 -12.200 415 HB2 ASN 52 2HB ASN 52 4.089 1.232 -10.281 416 HB3 ASN 52 1HB ASN 52 4.489 2.706 -11.165 417 HD21 ASN 52 1HD2 ASN 52 1.676 0.913 -9.794 418 HD22 ASN 52 2HD2 ASN 52 0.710 2.297 -9.598 419 H ILE 53 H ILE 53 4.904 2.870 -13.681 420 HA ILE 53 HA ILE 53 2.894 4.683 -14.555 421 HB ILE 53 HB ILE 53 5.587 4.033 -15.787 422 HG12 ILE 53 2HG1 ILE 53 4.770 6.236 -13.866 423 HG13 ILE 53 1HG1 ILE 53 5.615 4.765 -13.387 424 HG21 ILE 53 1HG2 ILE 53 4.966 5.454 -17.410 425 HG22 ILE 53 2HG2 ILE 53 4.862 6.722 -16.190 426 HG23 ILE 53 3HG2 ILE 53 3.434 5.775 -16.601 427 HD11 ILE 53 3HD1 ILE 53 7.517 5.327 -14.771 428 HD12 ILE 53 1HD1 ILE 53 7.137 6.734 -13.779 429 HD13 ILE 53 2HD1 ILE 53 6.657 6.698 -15.475 430 H LYS 54 H LYS 54 4.564 2.098 -16.403 431 HA LYS 54 HA LYS 54 2.812 2.343 -18.676 432 HB2 LYS 54 2HB LYS 54 5.092 1.313 -18.753 433 HB3 LYS 54 1HB LYS 54 4.461 -0.058 -17.838 434 HG2 LYS 54 2HG LYS 54 2.784 -0.455 -19.629 435 HG3 LYS 54 1HG LYS 54 3.486 0.874 -20.554 436 HD2 LYS 54 2HD LYS 54 5.685 -0.327 -20.508 437 HD3 LYS 54 1HD LYS 54 4.878 -1.690 -19.731 438 HE2 LYS 54 2HE LYS 54 3.848 -0.557 -22.329 439 HE3 LYS 54 1HE LYS 54 5.144 -1.755 -22.311 440 HZ1 LYS 54 3HZ LYS 54 2.509 -2.324 -22.261 441 HZ2 LYS 54 1HZ LYS 54 2.909 -2.413 -20.615 442 HZ3 LYS 54 2HZ LYS 54 3.739 -3.375 -21.742 443 H LYS 55 H LYS 55 2.996 -0.171 -16.125 444 HA LYS 55 HA LYS 55 0.585 -1.491 -16.949 445 HB2 LYS 55 2HB LYS 55 2.339 -2.516 -15.491 446 HB3 LYS 55 1HB LYS 55 1.839 -1.440 -14.187 447 HG2 LYS 55 2HG LYS 55 -0.437 -2.394 -14.266 448 HG3 LYS 55 1HG LYS 55 0.061 -3.475 -15.569 449 HD2 LYS 55 2HD LYS 55 1.823 -4.400 -14.031 450 HD3 LYS 55 1HD LYS 55 1.125 -3.431 -12.733 451 HE2 LYS 55 2HE LYS 55 -0.996 -4.840 -14.041 452 HE3 LYS 55 1HE LYS 55 0.280 -5.993 -13.650 453 HZ1 LYS 55 3HZ LYS 55 -0.158 -5.827 -11.493 454 HZ2 LYS 55 1HZ LYS 55 -1.588 -5.024 -11.922 455 HZ3 LYS 55 2HZ LYS 55 -0.196 -4.130 -11.536 456 H ASN 56 H ASN 56 1.197 0.773 -14.253 457 HA ASN 56 HA ASN 56 -0.276 2.069 -12.990 458 HB2 ASN 56 2HB ASN 56 -0.495 2.856 -15.575 459 HB3 ASN 56 1HB ASN 56 -2.168 2.399 -15.247 460 HD21 ASN 56 1HD2 ASN 56 -1.542 3.086 -12.255 461 HD22 ASN 56 2HD2 ASN 56 -1.690 4.775 -12.198 462 H VAL 57 H VAL 57 -1.589 1.269 -11.474 463 HA VAL 57 HA VAL 57 -3.877 -0.457 -12.337 464 HB VAL 57 HB VAL 57 -2.108 -1.807 -11.293 465 HG11 VAL 57 1HG1 VAL 57 -1.127 -1.281 -9.250 466 HG12 VAL 57 2HG1 VAL 57 -2.517 -0.334 -8.711 467 HG13 VAL 57 3HG1 VAL 57 -1.404 0.333 -9.903 468 HG21 VAL 57 3HG2 VAL 57 -3.536 -2.992 -9.882 469 HG22 VAL 57 1HG2 VAL 57 -4.698 -2.011 -10.775 470 HG23 VAL 57 2HG2 VAL 57 -4.198 -1.526 -9.155 471 H LEU 58 H LEU 58 -5.813 -0.190 -11.166 472 HA LEU 58 HA LEU 58 -6.175 2.421 -9.926 473 HB2 LEU 58 2HB LEU 58 -7.968 1.396 -11.279 474 HB3 LEU 58 1HB LEU 58 -8.063 0.051 -10.143 475 HG LEU 58 HG LEU 58 -8.647 1.672 -8.332 476 HD11 LEU 58 1HD1 LEU 58 -9.552 3.903 -9.642 477 HD12 LEU 58 2HD1 LEU 58 -8.067 3.553 -10.525 478 HD13 LEU 58 3HD1 LEU 58 -8.017 3.804 -8.781 479 HD21 LEU 58 3HD2 LEU 58 -10.729 1.052 -8.910 480 HD22 LEU 58 1HD2 LEU 58 -10.248 0.883 -10.599 481 HD23 LEU 58 2HD2 LEU 58 -10.799 2.444 -9.991 482 H TRP 59 H TRP 59 -6.188 2.867 -7.752 483 HA TRP 59 HA TRP 59 -5.588 0.595 -5.938 484 HB2 TRP 59 2HB TRP 59 -5.245 3.588 -5.644 485 HB3 TRP 59 1HB TRP 59 -4.934 2.438 -4.339 486 HD1 TRP 59 HD TRP 59 -3.438 3.848 -7.472 487 HE1 TRP 59 1HE TRP 59 -1.160 2.725 -7.936 488 HE3 TRP 59 3HE TRP 59 -3.602 0.078 -4.044 489 HZ2 TRP 59 2HZ TRP 59 0.383 0.511 -6.976 490 HZ3 TRP 59 3HZ TRP 59 -1.722 -1.512 -3.831 491 HH2 TRP 59 HH TRP 59 0.271 -1.304 -5.292 492 H ASP 60 H ASP 60 -7.060 -0.112 -4.544 493 HA ASP 60 HA ASP 60 -9.123 1.610 -3.397 494 HB2 ASP 60 2HB ASP 60 -10.022 0.873 -5.670 495 HB3 ASP 60 1HB ASP 60 -10.008 -0.776 -5.043 496 H GLU 61 H GLU 61 -10.572 0.104 -1.919 497 HA GLU 61 HA GLU 61 -8.880 -1.262 -0.114 498 HB2 GLU 61 2HB GLU 61 -11.852 -1.631 -0.593 499 HB3 GLU 61 1HB GLU 61 -10.979 -2.245 0.812 500 HG2 GLU 61 2HG GLU 61 -10.283 0.076 1.366 501 HG3 GLU 61 1HG GLU 61 -11.231 0.667 0.001 502 H ASN 62 H ASN 62 -10.784 -2.531 -2.841 503 HA ASN 62 HA ASN 62 -10.084 -5.294 -2.285 504 HB2 ASN 62 2HB ASN 62 -11.364 -5.814 -4.141 505 HB3 ASN 62 1HB ASN 62 -12.052 -4.247 -3.723 506 HD21 ASN 62 1HD2 ASN 62 -10.993 -5.944 -6.350 507 HD22 ASN 62 2HD2 ASN 62 -10.464 -4.664 -7.328 508 H ASN 63 H ASN 63 -8.973 -2.880 -4.671 509 HA ASN 63 HA ASN 63 -7.007 -4.530 -5.899 510 HB2 ASN 63 2HB ASN 63 -7.825 -2.312 -6.764 511 HB3 ASN 63 1HB ASN 63 -6.850 -1.533 -5.518 512 HD21 ASN 63 1HD2 ASN 63 -4.752 -1.029 -6.133 513 HD22 ASN 63 2HD2 ASN 63 -3.906 -1.764 -7.405 514 H MET 64 H MET 64 -6.843 -2.443 -3.037 515 HA MET 64 HA MET 64 -4.034 -2.563 -2.638 516 HB2 MET 64 2HB MET 64 -6.300 -2.350 -0.639 517 HB3 MET 64 1HB MET 64 -4.598 -2.163 -0.212 518 HG2 MET 64 2HG MET 64 -5.182 -0.551 -2.523 519 HG3 MET 64 1HG MET 64 -6.339 -0.183 -1.243 520 HE1 MET 64 3HE MET 64 -3.586 2.052 -2.178 521 HE2 MET 64 1HE MET 64 -4.334 2.720 -0.719 522 HE3 MET 64 2HE MET 64 -5.322 1.898 -1.925 523 H SER 65 H SER 65 -6.609 -4.800 -1.615 524 HA SER 65 HA SER 65 -4.947 -6.479 -0.017 525 HB2 SER 65 2HB SER 65 -6.677 -8.188 -0.318 526 HB3 SER 65 1HB SER 65 -7.422 -6.619 -0.036 527 HG SER 65 HG SER 65 -8.167 -6.620 -2.020 528 H GLU 66 H GLU 66 -5.559 -6.428 -3.506 529 HA GLU 66 HA GLU 66 -4.182 -8.895 -4.068 530 HB2 GLU 66 2HB GLU 66 -4.767 -6.485 -5.810 531 HB3 GLU 66 1HB GLU 66 -4.136 -8.017 -6.407 532 HG2 GLU 66 2HG GLU 66 -6.130 -9.178 -5.485 533 HG3 GLU 66 1HG GLU 66 -6.773 -7.618 -4.968 534 H HIS 67 H HIS 67 -3.157 -5.510 -3.874 535 HA HIS 67 HA HIS 67 -0.554 -5.823 -4.981 536 HB2 HIS 67 2HB HIS 67 -1.655 -3.646 -4.506 537 HB3 HIS 67 1HB HIS 67 -1.418 -3.925 -2.782 538 HD1 HIS 67 1HD HIS 67 0.802 -4.021 -5.890 539 HD2 HIS 67 2HD HIS 67 0.920 -2.708 -1.941 540 HE1 HIS 67 1HE HIS 67 3.059 -2.924 -5.574 541 HE2 HIS 67 2HE HIS 67 3.147 -2.129 -3.167 542 H LEU 68 H LEU 68 -1.637 -6.020 -1.594 543 HA LEU 68 HA LEU 68 0.985 -6.682 -0.575 544 HB2 LEU 68 2HB LEU 68 -1.813 -6.854 0.536 545 HB3 LEU 68 1HB LEU 68 -0.425 -7.444 1.445 546 HG LEU 68 HG LEU 68 0.577 -5.284 1.530 547 HD11 LEU 68 1HD1 LEU 68 -0.493 -3.341 0.305 548 HD12 LEU 68 2HD1 LEU 68 -1.479 -4.519 -0.556 549 HD13 LEU 68 3HD1 LEU 68 0.273 -4.537 -0.739 550 HD21 LEU 68 3HD2 LEU 68 -2.421 -5.167 1.924 551 HD22 LEU 68 1HD2 LEU 68 -1.369 -3.818 2.349 552 HD23 LEU 68 2HD2 LEU 68 -1.170 -5.378 3.149 553 H THR 69 H THR 69 -1.802 -8.602 -1.631 554 HA THR 69 HA THR 69 -0.930 -11.119 -0.641 555 HB THR 69 HB THR 69 -2.456 -10.652 -3.212 556 HG1 THR 69 1HG THR 69 -3.984 -9.928 -1.997 557 HG21 THR 69 3HG2 THR 69 -2.127 -12.956 -1.296 558 HG22 THR 69 1HG2 THR 69 -1.923 -12.945 -3.048 559 HG23 THR 69 2HG2 THR 69 -3.538 -12.838 -2.347 560 H ASN 70 H ASN 70 -0.168 -9.461 -3.688 561 HA ASN 70 HA ASN 70 2.206 -11.188 -3.982 562 HB2 ASN 70 2HB ASN 70 1.519 -11.589 -6.434 563 HB3 ASN 70 1HB ASN 70 0.708 -12.554 -5.200 564 HD21 ASN 70 1HD2 ASN 70 0.213 -10.203 -7.710 565 HD22 ASN 70 2HD2 ASN 70 -1.451 -9.983 -7.464 566 HA PRO 71 HA PRO 71 2.501 -6.657 -5.293 567 HB2 PRO 71 2HB PRO 71 4.903 -6.252 -3.968 568 HB3 PRO 71 1HB PRO 71 3.301 -5.879 -3.304 569 HG2 PRO 71 2HG PRO 71 5.056 -8.222 -2.817 570 HG3 PRO 71 1HG PRO 71 3.990 -7.354 -1.700 571 HD2 PRO 71 2HD PRO 71 3.322 -9.755 -2.766 572 HD3 PRO 71 1HD PRO 71 2.106 -8.527 -2.375 573 H ALA 72 H ALA 72 4.486 -9.474 -5.550 574 HA ALA 72 HA ALA 72 6.614 -8.325 -7.130 575 HB1 ALA 72 1HB ALA 72 7.074 -10.707 -7.755 576 HB2 ALA 72 2HB ALA 72 5.604 -11.173 -6.900 577 HB3 ALA 72 3HB ALA 72 6.950 -10.455 -6.015 578 H LYS 73 H LYS 73 4.400 -10.817 -8.379 579 HA LYS 73 HA LYS 73 4.638 -10.007 -11.084 580 HB2 LYS 73 2HB LYS 73 2.357 -11.453 -9.702 581 HB3 LYS 73 1HB LYS 73 2.561 -11.343 -11.451 582 HG2 LYS 73 2HG LYS 73 4.803 -12.419 -11.217 583 HG3 LYS 73 1HG LYS 73 4.493 -12.621 -9.493 584 HD2 LYS 73 2HD LYS 73 2.437 -13.926 -10.060 585 HD3 LYS 73 1HD LYS 73 2.877 -13.812 -11.765 586 HE2 LYS 73 2HE LYS 73 4.986 -14.980 -11.326 587 HE3 LYS 73 1HE LYS 73 4.611 -15.047 -9.604 588 HZ1 LYS 73 3HZ LYS 73 2.523 -16.079 -11.297 589 HZ2 LYS 73 1HZ LYS 73 3.214 -16.743 -9.898 590 HZ3 LYS 73 2HZ LYS 73 3.976 -16.953 -11.401 591 H TYR 74 H TYR 74 2.456 -8.917 -8.551 592 HA TYR 74 HA TYR 74 0.528 -7.555 -10.104 593 HB2 TYR 74 2HB TYR 74 0.325 -7.876 -7.689 594 HB3 TYR 74 1HB TYR 74 1.716 -6.833 -7.416 595 HD1 TYR 74 1HD TYR 74 -1.812 -6.918 -8.566 596 HD2 TYR 74 2HD TYR 74 1.543 -4.451 -7.518 597 HE1 TYR 74 1HE TYR 74 -3.295 -4.931 -8.480 598 HE2 TYR 74 2HE TYR 74 0.065 -2.472 -7.433 599 HH TYR 74 HH TYR 74 -2.019 -1.749 -7.499 600 H ILE 75 H ILE 75 3.606 -6.280 -8.769 601 HA ILE 75 HA ILE 75 3.649 -4.337 -11.015 602 HB ILE 75 HB ILE 75 3.683 -3.672 -8.074 603 HG12 ILE 75 2HG1 ILE 75 1.652 -3.512 -9.713 604 HG13 ILE 75 1HG1 ILE 75 1.974 -2.168 -8.626 605 HG21 ILE 75 1HG2 ILE 75 4.391 -1.304 -9.120 606 HG22 ILE 75 2HG2 ILE 75 5.226 -2.357 -10.262 607 HG23 ILE 75 3HG2 ILE 75 5.580 -2.460 -8.539 608 HD11 ILE 75 3HD1 ILE 75 3.296 -2.130 -11.308 609 HD12 ILE 75 1HD1 ILE 75 2.718 -0.790 -10.319 610 HD13 ILE 75 2HD1 ILE 75 1.572 -1.771 -11.230 611 HA PRO 76 HA PRO 76 7.769 -6.234 -10.245 612 HB2 PRO 76 2HB PRO 76 8.162 -7.240 -12.722 613 HB3 PRO 76 1HB PRO 76 7.179 -8.082 -11.509 614 HG2 PRO 76 2HG PRO 76 6.331 -6.533 -13.883 615 HG3 PRO 76 1HG PRO 76 5.575 -7.937 -13.116 616 HD2 PRO 76 2HD PRO 76 4.785 -5.245 -12.790 617 HD3 PRO 76 1HD PRO 76 4.263 -6.619 -11.792 618 H GLY 77 H GLY 77 9.824 -5.388 -10.868 619 HA2 GLY 77 2HA GLY 77 11.294 -4.119 -12.301 620 HA3 GLY 77 1HA GLY 77 9.879 -3.424 -13.085 621 H THR 78 H THR 78 9.403 -3.394 -9.756 622 HA THR 78 HA THR 78 10.213 -0.523 -9.667 623 HB THR 78 HB THR 78 7.800 -1.098 -9.255 624 HG1 THR 78 1HG THR 78 9.365 0.537 -7.999 625 HG21 THR 78 3HG2 THR 78 7.235 -2.084 -7.046 626 HG22 THR 78 1HG2 THR 78 8.939 -2.423 -6.774 627 HG23 THR 78 2HG2 THR 78 8.083 -3.225 -8.088 628 H LYS 79 H LYS 79 11.034 0.252 -7.522 629 HA LYS 79 HA LYS 79 13.133 -1.554 -6.567 630 HB2 LYS 79 2HB LYS 79 12.340 1.220 -5.624 631 HB3 LYS 79 1HB LYS 79 13.826 0.374 -5.200 632 HG2 LYS 79 2HG LYS 79 14.419 0.281 -7.624 633 HG3 LYS 79 1HG LYS 79 12.985 1.243 -7.980 634 HD2 LYS 79 2HD LYS 79 15.233 2.113 -6.139 635 HD3 LYS 79 1HD LYS 79 15.038 2.644 -7.810 636 HE2 LYS 79 2HE LYS 79 13.846 4.350 -6.881 637 HE3 LYS 79 1HE LYS 79 12.549 3.159 -6.812 638 HZ1 LYS 79 3HZ LYS 79 12.639 3.139 -4.611 639 HZ2 LYS 79 1HZ LYS 79 13.693 4.465 -4.685 640 HZ3 LYS 79 2HZ LYS 79 14.319 2.888 -4.605 641 H MET 80 H MET 80 9.924 -1.304 -5.878 642 HA MET 80 HA MET 80 10.099 -1.557 -2.957 643 HB2 MET 80 2HB MET 80 8.176 -0.421 -4.031 644 HB3 MET 80 1HB MET 80 7.739 -1.934 -4.824 645 HG2 MET 80 2HG MET 80 7.303 -3.004 -2.713 646 HG3 MET 80 1HG MET 80 7.980 -1.643 -1.820 647 HE1 MET 80 3HE MET 80 4.598 -3.190 -2.919 648 HE2 MET 80 1HE MET 80 3.956 -2.200 -1.601 649 HE3 MET 80 2HE MET 80 5.450 -3.108 -1.378 650 H ALA 81 H ALA 81 10.283 -3.461 -1.885 651 HA ALA 81 HA ALA 81 9.586 -5.980 -3.328 652 HB1 ALA 81 1HB ALA 81 12.155 -5.260 -1.942 653 HB2 ALA 81 2HB ALA 81 11.918 -6.075 -3.488 654 HB3 ALA 81 3HB ALA 81 11.616 -6.938 -1.980 655 H PHE 82 H PHE 82 7.641 -5.935 -2.054 656 HA PHE 82 HA PHE 82 8.021 -6.295 0.882 657 HB2 PHE 82 2HB PHE 82 6.403 -4.554 0.121 658 HB3 PHE 82 1HB PHE 82 5.466 -5.813 -0.683 659 HD1 PHE 82 1HD PHE 82 6.560 -4.473 2.583 660 HD2 PHE 82 2HD PHE 82 4.149 -7.408 0.579 661 HE1 PHE 82 1HE PHE 82 5.403 -4.981 4.717 662 HE2 PHE 82 2HE PHE 82 2.993 -7.916 2.713 663 HZ PHE 82 HZ PHE 82 3.620 -6.703 4.782 664 H GLY 83 H GLY 83 7.628 -8.285 1.793 665 HA2 GLY 83 2HA GLY 83 7.163 -10.558 0.036 666 HA3 GLY 83 1HA GLY 83 7.330 -10.629 1.792 667 H GLY 84 H GLY 84 5.240 -11.677 -0.266 668 HA2 GLY 84 2HA GLY 84 2.770 -10.336 0.399 669 HA3 GLY 84 1HA GLY 84 2.899 -11.932 -0.340 670 H LEU 85 H LEU 85 1.185 -10.962 1.949 671 HA LEU 85 HA LEU 85 2.292 -12.539 4.206 672 HB2 LEU 85 2HB LEU 85 -0.276 -10.931 4.059 673 HB3 LEU 85 1HB LEU 85 0.467 -11.592 5.516 674 HG LEU 85 HG LEU 85 1.652 -9.475 3.700 675 HD11 LEU 85 1HD1 LEU 85 0.763 -7.966 5.119 676 HD12 LEU 85 2HD1 LEU 85 1.394 -8.835 6.518 677 HD13 LEU 85 3HD1 LEU 85 -0.168 -9.284 5.834 678 HD21 LEU 85 3HD2 LEU 85 2.763 -11.098 5.972 679 HD22 LEU 85 1HD2 LEU 85 3.315 -9.437 5.745 680 HD23 LEU 85 2HD2 LEU 85 3.538 -10.624 4.459 681 H LYS 86 H LYS 86 1.684 -14.614 4.502 682 HA LYS 86 HA LYS 86 -0.138 -15.945 2.735 683 HB2 LYS 86 2HB LYS 86 0.951 -16.806 5.433 684 HB3 LYS 86 1HB LYS 86 0.122 -17.865 4.293 685 HG2 LYS 86 2HG LYS 86 1.868 -17.241 2.577 686 HG3 LYS 86 1HG LYS 86 2.745 -16.413 3.864 687 HD2 LYS 86 2HD LYS 86 1.957 -19.340 3.934 688 HD3 LYS 86 1HD LYS 86 3.557 -18.747 3.490 689 HE2 LYS 86 2HE LYS 86 3.873 -19.155 5.754 690 HE3 LYS 86 1HE LYS 86 3.374 -17.463 5.797 691 HZ1 LYS 86 3HZ LYS 86 1.014 -18.522 5.929 692 HZ2 LYS 86 1HZ LYS 86 1.965 -18.373 7.325 693 HZ3 LYS 86 2HZ LYS 86 1.861 -19.867 6.526 694 H LYS 87 H LYS 87 -0.545 -14.543 5.968 695 HA LYS 87 HA LYS 87 -3.258 -15.635 6.203 696 HB2 LYS 87 2HB LYS 87 -1.722 -13.665 7.915 697 HB3 LYS 87 1HB LYS 87 -3.331 -14.277 8.300 698 HG2 LYS 87 2HG LYS 87 -2.393 -16.609 8.196 699 HG3 LYS 87 1HG LYS 87 -0.788 -15.898 8.018 700 HD2 LYS 87 2HD LYS 87 -1.147 -14.657 10.155 701 HD3 LYS 87 1HD LYS 87 -2.681 -15.506 10.349 702 HE2 LYS 87 2HE LYS 87 -1.630 -17.311 11.185 703 HE3 LYS 87 1HE LYS 87 -0.586 -17.403 9.766 704 HZ1 LYS 87 3HZ LYS 87 0.699 -17.078 11.781 705 HZ2 LYS 87 1HZ LYS 87 -0.152 -15.650 12.123 706 HZ3 LYS 87 2HZ LYS 87 0.851 -15.733 10.753 707 H GLU 88 H GLU 88 -5.051 -14.653 5.485 708 HA GLU 88 HA GLU 88 -4.879 -12.090 4.107 709 HB2 GLU 88 2HB GLU 88 -6.350 -13.963 3.343 710 HB3 GLU 88 1HB GLU 88 -7.336 -13.730 4.788 711 HG2 GLU 88 2HG GLU 88 -7.730 -11.367 4.097 712 HG3 GLU 88 1HG GLU 88 -6.833 -11.680 2.612 713 H LYS 89 H LYS 89 -6.181 -13.240 7.195 714 HA LYS 89 HA LYS 89 -7.696 -10.958 7.905 715 HB2 LYS 89 2HB LYS 89 -6.081 -12.817 9.673 716 HB3 LYS 89 1HB LYS 89 -7.279 -11.666 10.263 717 HG2 LYS 89 2HG LYS 89 -8.993 -12.777 8.823 718 HG3 LYS 89 1HG LYS 89 -7.786 -13.981 8.371 719 HD2 LYS 89 2HD LYS 89 -7.507 -14.546 10.790 720 HD3 LYS 89 1HD LYS 89 -8.816 -13.426 11.168 721 HE2 LYS 89 2HE LYS 89 -9.970 -14.929 9.200 722 HE3 LYS 89 1HE LYS 89 -8.933 -16.126 9.978 723 HZ1 LYS 89 3HZ LYS 89 -10.104 -14.676 12.016 724 HZ2 LYS 89 1HZ LYS 89 -10.450 -16.274 11.566 725 HZ3 LYS 89 2HZ LYS 89 -11.354 -14.993 10.909 726 H ASP 90 H ASP 90 -4.223 -11.613 8.480 727 HA ASP 90 HA ASP 90 -3.700 -9.172 9.869 728 HB2 ASP 90 2HB ASP 90 -1.903 -10.910 8.152 729 HB3 ASP 90 1HB ASP 90 -1.328 -9.580 9.155 730 H ARG 91 H ARG 91 -3.667 -10.016 6.433 731 HA ARG 91 HA ARG 91 -2.586 -7.596 5.411 732 HB2 ARG 91 2HB ARG 91 -2.993 -9.704 4.110 733 HB3 ARG 91 1HB ARG 91 -4.717 -9.333 4.133 734 HG2 ARG 91 2HG ARG 91 -4.209 -7.146 3.026 735 HG3 ARG 91 1HG ARG 91 -2.523 -7.649 2.894 736 HD2 ARG 91 2HD ARG 91 -4.919 -9.050 1.677 737 HD3 ARG 91 1HD ARG 91 -3.669 -8.164 0.804 738 HE ARG 91 HE ARG 91 -2.140 -10.004 2.019 739 HH11 ARG 91 1HH2 ARG 91 -5.238 -10.281 0.511 740 HH12 ARG 91 2HH2 ARG 91 -5.015 -11.939 0.070 741 HH21 ARG 91 1HH1 ARG 91 -1.843 -12.164 1.443 742 HH22 ARG 91 2HH1 ARG 91 -3.098 -13.004 0.595 743 H ASN 92 H ASN 92 -5.934 -8.484 6.221 744 HA ASN 92 HA ASN 92 -7.218 -6.177 5.187 745 HB2 ASN 92 2HB ASN 92 -8.363 -8.236 6.061 746 HB3 ASN 92 1HB ASN 92 -7.993 -7.688 7.695 747 HD21 ASN 92 1HD2 ASN 92 -9.722 -6.681 4.712 748 HD22 ASN 92 2HD2 ASN 92 -10.837 -5.684 5.512 749 H ASP 93 H ASP 93 -5.742 -6.717 8.398 750 HA ASP 93 HA ASP 93 -6.540 -4.227 9.519 751 HB2 ASP 93 2HB ASP 93 -4.136 -5.980 10.093 752 HB3 ASP 93 1HB ASP 93 -4.657 -4.630 11.098 753 H LEU 94 H LEU 94 -3.651 -5.145 7.640 754 HA LEU 94 HA LEU 94 -2.240 -2.700 7.960 755 HB2 LEU 94 2HB LEU 94 -1.275 -4.763 6.951 756 HB3 LEU 94 1HB LEU 94 -2.276 -4.506 5.523 757 HG LEU 94 HG LEU 94 -1.187 -2.328 5.137 758 HD11 LEU 94 1HD1 LEU 94 1.031 -2.125 6.607 759 HD12 LEU 94 2HD1 LEU 94 0.048 -3.010 7.774 760 HD13 LEU 94 3HD1 LEU 94 -0.501 -1.450 7.160 761 HD21 LEU 94 3HD2 LEU 94 1.300 -3.691 5.327 762 HD22 LEU 94 1HD2 LEU 94 0.262 -3.544 3.911 763 HD23 LEU 94 2HD2 LEU 94 0.074 -4.914 5.003 764 H ILE 95 H ILE 95 -4.687 -3.649 5.550 765 HA ILE 95 HA ILE 95 -4.573 -1.206 4.053 766 HB ILE 95 HB ILE 95 -6.903 -3.091 4.458 767 HG12 ILE 95 2HG1 ILE 95 -4.841 -2.985 2.236 768 HG13 ILE 95 1HG1 ILE 95 -4.814 -4.149 3.562 769 HG21 ILE 95 1HG2 ILE 95 -7.010 -1.949 1.914 770 HG22 ILE 95 2HG2 ILE 95 -6.564 -0.608 2.969 771 HG23 ILE 95 3HG2 ILE 95 -8.036 -1.529 3.286 772 HD11 ILE 95 3HD1 ILE 95 -6.914 -5.103 2.876 773 HD12 ILE 95 1HD1 ILE 95 -5.901 -4.996 1.436 774 HD13 ILE 95 2HD1 ILE 95 -7.181 -3.813 1.704 775 H THR 96 H THR 96 -6.396 -2.225 6.892 776 HA THR 96 HA THR 96 -8.164 -0.009 7.077 777 HB THR 96 HB THR 96 -6.950 -1.483 9.425 778 HG1 THR 96 1HG THR 96 -7.752 -2.860 7.693 779 HG21 THR 96 3HG2 THR 96 -8.605 -0.538 10.637 780 HG22 THR 96 1HG2 THR 96 -9.810 -0.878 9.393 781 HG23 THR 96 2HG2 THR 96 -8.809 0.570 9.278 782 H TYR 97 H TYR 97 -4.841 -0.444 8.288 783 HA TYR 97 HA TYR 97 -4.698 1.934 9.833 784 HB2 TYR 97 2HB TYR 97 -2.970 0.159 9.869 785 HB3 TYR 97 1HB TYR 97 -2.477 0.621 8.241 786 HD1 TYR 97 1HD TYR 97 -2.776 1.839 11.746 787 HD2 TYR 97 2HD TYR 97 -1.062 2.502 7.864 788 HE1 TYR 97 1HE TYR 97 -1.317 3.608 12.692 789 HE2 TYR 97 2HE TYR 97 0.394 4.272 8.809 790 HH TYR 97 HH TYR 97 0.949 5.423 10.617 791 H LEU 98 H LEU 98 -3.760 1.432 6.399 792 HA LEU 98 HA LEU 98 -3.192 4.234 5.987 793 HB2 LEU 98 2HB LEU 98 -3.821 2.010 4.026 794 HB3 LEU 98 1HB LEU 98 -3.307 3.627 3.548 795 HG LEU 98 HG LEU 98 -1.725 1.748 5.328 796 HD11 LEU 98 1HD1 LEU 98 -1.902 2.110 2.422 797 HD12 LEU 98 2HD1 LEU 98 -1.158 0.803 3.346 798 HD13 LEU 98 3HD1 LEU 98 -0.259 2.291 3.040 799 HD21 LEU 98 3HD2 LEU 98 0.009 3.646 4.458 800 HD22 LEU 98 1HD2 LEU 98 -0.879 3.780 5.975 801 HD23 LEU 98 2HD2 LEU 98 -1.472 4.599 4.531 802 H LYS 99 H LYS 99 -6.057 2.217 5.610 803 HA LYS 99 HA LYS 99 -7.679 4.058 4.191 804 HB2 LYS 99 2HB LYS 99 -8.288 1.673 4.677 805 HB3 LYS 99 1HB LYS 99 -8.564 2.124 6.357 806 HG2 LYS 99 2HG LYS 99 -10.717 2.252 5.450 807 HG3 LYS 99 1HG LYS 99 -10.173 3.925 5.346 808 HD2 LYS 99 2HD LYS 99 -9.536 3.601 2.999 809 HD3 LYS 99 1HD LYS 99 -9.993 1.900 3.095 810 HE2 LYS 99 2HE LYS 99 -11.791 4.323 3.268 811 HE3 LYS 99 1HE LYS 99 -11.859 3.001 2.104 812 HZ1 LYS 99 3HZ LYS 99 -12.399 1.497 3.943 813 HZ2 LYS 99 1HZ LYS 99 -13.558 2.722 3.765 814 HZ3 LYS 99 2HZ LYS 99 -12.412 2.815 5.017 815 H LYS 100 H LYS 100 -7.025 3.724 7.666 816 HA LYS 100 HA LYS 100 -8.868 5.682 8.598 817 HB2 LYS 100 2HB LYS 100 -7.600 4.102 10.056 818 HB3 LYS 100 1HB LYS 100 -6.131 5.019 9.722 819 HG2 LYS 100 2HG LYS 100 -7.244 7.056 10.642 820 HG3 LYS 100 1HG LYS 100 -8.635 6.060 11.076 821 HD2 LYS 100 2HD LYS 100 -7.073 4.599 12.406 822 HD3 LYS 100 1HD LYS 100 -5.802 5.782 12.105 823 HE2 LYS 100 2HE LYS 100 -6.570 6.671 14.073 824 HE3 LYS 100 1HE LYS 100 -7.742 7.436 12.999 825 HZ1 LYS 100 3HZ LYS 100 -8.493 4.779 13.767 826 HZ2 LYS 100 1HZ LYS 100 -9.390 6.218 13.829 827 HZ3 LYS 100 2HZ LYS 100 -8.335 5.823 15.099 828 H ALA 101 H ALA 101 -5.532 5.962 7.439 829 HA ALA 101 HA ALA 101 -5.159 8.725 8.017 830 HB1 ALA 101 1HB ALA 101 -3.296 7.273 7.357 831 HB2 ALA 101 2HB ALA 101 -3.411 8.641 6.250 832 HB3 ALA 101 3HB ALA 101 -4.010 7.056 5.759 833 H THR 102 H THR 102 -6.836 7.108 5.378 834 HA THR 102 HA THR 102 -7.013 9.389 3.636 835 HB THR 102 HB THR 102 -8.759 8.156 2.489 836 HG1 THR 102 1HG THR 102 -9.047 5.998 3.926 837 HG21 THR 102 3HG2 THR 102 -6.506 6.488 3.599 838 HG22 THR 102 1HG2 THR 102 -6.641 7.225 2.003 839 HG23 THR 102 2HG2 THR 102 -7.641 5.835 2.419 840 H GLU 103 H GLU 103 -8.695 8.476 6.538 841 HA GLU 103 HA GLU 103 -11.082 10.016 6.159 842 HB2 GLU 103 2HB GLU 103 -9.619 9.280 8.715 843 HB3 GLU 103 1HB GLU 103 -11.260 9.922 8.641 844 HG2 GLU 103 2HG GLU 103 -10.339 7.356 7.310 845 HG3 GLU 103 1HG GLU 103 -11.243 7.444 8.822 846 HHA HEC 201 HA HEC 104 4.900 3.017 -5.484 847 HHB HEC 201 HB HEC 104 1.180 0.388 -1.106 848 HHC HEC 201 HC HEC 104 6.275 -0.972 2.388 849 HHD HEC 201 HD HEC 104 9.994 1.588 -2.037 850 HMA1 HEC 201 1HMA HEC 104 0.112 2.189 -2.196 851 HMA2 HEC 201 2HMA HEC 104 -0.177 1.026 -3.486 852 HMA3 HEC 201 3HMA HEC 104 0.036 2.732 -3.872 853 HAA1 HEC 201 1HAA HEC 104 2.704 1.795 -6.400 854 HAA2 HEC 201 2HAA HEC 104 1.135 2.340 -5.834 855 HBA1 HEC 201 1HBA HEC 104 3.147 3.891 -7.062 856 HBA2 HEC 201 2HBA HEC 104 3.101 4.400 -5.375 857 HMB1 HEC 201 1HMB HEC 104 0.900 -1.548 0.020 858 HMB2 HEC 201 2HMB HEC 104 1.388 -2.311 1.523 859 HMB3 HEC 201 3HMB HEC 104 0.547 -0.762 1.555 860 HAB HEC 201 HAB HEC 104 4.525 -1.681 3.510 861 HBB1 HEC 201 1HBB HEC 104 1.537 -1.219 3.515 862 HBB2 HEC 201 2HBB HEC 104 2.478 -1.780 4.888 863 HBB3 HEC 201 3HBB HEC 104 2.362 -2.779 3.446 864 HMC1 HEC 201 1HMC HEC 104 8.558 -1.042 3.155 865 HMC2 HEC 201 2HMC HEC 104 10.092 -1.201 2.299 866 HMC3 HEC 201 3HMC HEC 104 8.735 -2.249 1.880 867 HAC HEC 201 HAC HEC 104 11.026 1.617 -0.089 868 HBC1 HEC 201 1HBC HEC 104 11.246 -1.237 0.080 869 HBC2 HEC 201 2HBC HEC 104 12.480 -0.070 -0.396 870 HBC3 HEC 201 3HBC HEC 104 12.294 -0.514 1.301 871 HMD1 HEC 201 1HMD HEC 104 10.072 3.115 -5.501 872 HMD2 HEC 201 2HMD HEC 104 10.170 1.438 -4.962 873 HMD3 HEC 201 3HMD HEC 104 10.683 2.741 -3.889 874 HAD1 HEC 201 1HAD HEC 104 8.320 4.599 -5.806 875 HAD2 HEC 201 2HAD HEC 104 6.572 4.481 -5.892 876 HBD1 HEC 201 1HBD HEC 104 7.824 3.975 -8.046 877 HBD2 HEC 201 2HBD HEC 104 8.403 2.508 -7.260 Start of MODEL 2 1 H1 THR -5 1HT THR -5 -13.900 -10.359 -4.139 2 H2 THR -5 2HT THR -5 -14.391 -9.804 -2.610 3 H3 THR -5 3HT THR -5 -12.789 -9.574 -3.127 4 HA THR -5 HA THR -5 -13.307 -7.864 -4.527 5 HB THR -5 HB THR -5 -15.450 -7.598 -5.601 6 HG1 THR -5 1HG THR -5 -17.226 -8.545 -4.875 7 HG21 THR -5 1HG2 THR -5 -15.315 -9.419 -6.991 8 HG22 THR -5 2HG2 THR -5 -15.282 -10.568 -5.653 9 HG23 THR -5 3HG2 THR -5 -13.822 -9.680 -6.089 10 H GLU -4 H GLU -4 -14.880 -8.850 -1.643 11 HA GLU -4 HA GLU -4 -15.739 -6.057 -1.053 12 HB2 GLU -4 2HB GLU -4 -17.380 -7.918 -0.696 13 HB3 GLU -4 1HB GLU -4 -16.291 -8.593 0.517 14 HG2 GLU -4 2HG GLU -4 -16.419 -6.444 1.777 15 HG3 GLU -4 1HG GLU -4 -17.594 -5.856 0.600 16 H PHE -3 H PHE -3 -14.798 -4.915 0.647 17 HA PHE -3 HA PHE -3 -12.320 -6.121 1.764 18 HB2 PHE -3 2HB PHE -3 -12.064 -3.949 0.648 19 HB3 PHE -3 1HB PHE -3 -13.273 -3.242 1.722 20 HD1 PHE -3 2HD PHE -3 -9.944 -4.937 1.690 21 HD2 PHE -3 1HD PHE -3 -12.680 -2.437 3.863 22 HE1 PHE -3 2HE PHE -3 -8.192 -4.492 3.388 23 HE2 PHE -3 1HE PHE -3 -10.926 -1.994 5.561 24 HZ PHE -3 HZ PHE -3 -8.683 -3.022 5.323 25 H LYS -2 H LYS -2 -12.214 -6.679 3.882 26 HA LYS -2 HA LYS -2 -14.585 -6.311 5.568 27 HB2 LYS -2 2HB LYS -2 -13.196 -8.419 5.556 28 HB3 LYS -2 1HB LYS -2 -11.900 -7.501 6.321 29 HG2 LYS -2 2HG LYS -2 -13.350 -6.976 8.221 30 HG3 LYS -2 1HG LYS -2 -14.699 -7.807 7.446 31 HD2 LYS -2 2HD LYS -2 -13.721 -9.324 9.058 32 HD3 LYS -2 1HD LYS -2 -13.313 -9.908 7.444 33 HE2 LYS -2 2HE LYS -2 -11.083 -9.206 7.611 34 HE3 LYS -2 1HE LYS -2 -11.443 -8.042 8.886 35 HZ1 LYS -2 3HZ LYS -2 -10.760 -10.801 9.100 36 HZ2 LYS -2 1HZ LYS -2 -12.209 -10.460 9.911 37 HZ3 LYS -2 2HZ LYS -2 -10.796 -9.602 10.303 38 H ALA -1 H ALA -1 -14.676 -5.002 7.430 39 HA ALA -1 HA ALA -1 -13.525 -2.513 7.505 40 HB1 ALA -1 1HB ALA -1 -14.845 -4.211 9.422 41 HB2 ALA -1 2HB ALA -1 -14.798 -2.449 9.360 42 HB3 ALA -1 3HB ALA -1 -13.537 -3.336 10.217 43 H GLY 1 H GLY 1 -11.933 -5.516 8.190 44 HA2 GLY 1 2HA GLY 1 -9.761 -5.984 8.989 45 HA3 GLY 1 1HA GLY 1 -9.328 -4.666 7.901 46 H SER 2 H SER 2 -9.850 -5.562 11.228 47 HA SER 2 HA SER 2 -9.836 -2.942 12.382 48 HB2 SER 2 2HB SER 2 -8.771 -5.528 13.556 49 HB3 SER 2 1HB SER 2 -9.179 -4.073 14.462 50 HG SER 2 HG SER 2 -10.776 -6.018 13.932 51 H ALA 3 H ALA 3 -8.029 -1.804 13.352 52 HA ALA 3 HA ALA 3 -5.578 -2.046 11.770 53 HB1 ALA 3 1HB ALA 3 -6.563 0.160 12.465 54 HB2 ALA 3 2HB ALA 3 -4.871 -0.031 12.924 55 HB3 ALA 3 3HB ALA 3 -6.141 -0.229 14.133 56 H LYS 4 H LYS 4 -4.361 -1.016 14.560 57 HA LYS 4 HA LYS 4 -2.957 -1.977 16.165 58 HB2 LYS 4 2HB LYS 4 -5.181 -2.806 16.982 59 HB3 LYS 4 1HB LYS 4 -4.927 -4.279 16.046 60 HG2 LYS 4 2HG LYS 4 -2.820 -4.688 17.296 61 HG3 LYS 4 1HG LYS 4 -3.139 -3.250 18.267 62 HD2 LYS 4 2HD LYS 4 -5.321 -4.276 18.963 63 HD3 LYS 4 1HD LYS 4 -4.849 -5.748 18.113 64 HE2 LYS 4 2HE LYS 4 -3.595 -4.507 20.558 65 HE3 LYS 4 1HE LYS 4 -4.174 -6.158 20.336 66 HZ1 LYS 4 3HZ LYS 4 -1.789 -4.918 19.078 67 HZ2 LYS 4 1HZ LYS 4 -2.393 -6.446 18.661 68 HZ3 LYS 4 2HZ LYS 4 -1.806 -6.165 20.231 69 H LYS 5 H LYS 5 -3.952 -5.107 14.816 70 HA LYS 5 HA LYS 5 -1.286 -6.055 14.571 71 HB2 LYS 5 2HB LYS 5 -3.692 -6.942 12.952 72 HB3 LYS 5 1HB LYS 5 -2.229 -7.879 13.253 73 HG2 LYS 5 2HG LYS 5 -4.110 -6.900 15.421 74 HG3 LYS 5 1HG LYS 5 -4.129 -8.530 14.747 75 HD2 LYS 5 2HD LYS 5 -1.635 -8.636 15.394 76 HD3 LYS 5 1HD LYS 5 -1.960 -7.210 16.381 77 HE2 LYS 5 2HE LYS 5 -2.206 -9.240 17.733 78 HE3 LYS 5 1HE LYS 5 -3.766 -8.438 17.546 79 HZ1 LYS 5 3HZ LYS 5 -2.975 -11.033 16.712 80 HZ2 LYS 5 1HZ LYS 5 -3.530 -10.130 15.387 81 HZ3 LYS 5 2HZ LYS 5 -4.528 -10.341 16.748 82 H GLY 6 H GLY 6 -3.467 -4.856 11.983 83 HA2 GLY 6 2HA GLY 6 -1.491 -4.988 9.921 84 HA3 GLY 6 1HA GLY 6 -2.936 -3.983 9.872 85 H ALA 7 H ALA 7 -2.334 -2.448 12.243 86 HA ALA 7 HA ALA 7 -0.820 -0.336 11.110 87 HB1 ALA 7 1HB ALA 7 -0.972 -0.755 14.086 88 HB2 ALA 7 2HB ALA 7 -2.424 -0.351 13.171 89 HB3 ALA 7 3HB ALA 7 -1.051 0.754 13.178 90 H THR 8 H THR 8 0.160 -2.982 13.263 91 HA THR 8 HA THR 8 2.860 -2.028 13.601 92 HB THR 8 HB THR 8 3.294 -4.233 14.536 93 HG1 THR 8 1HG THR 8 1.835 -5.882 14.275 94 HG21 THR 8 3HG2 THR 8 1.216 -2.499 15.360 95 HG22 THR 8 1HG2 THR 8 2.137 -3.622 16.361 96 HG23 THR 8 2HG2 THR 8 0.629 -4.144 15.608 97 H LEU 9 H LEU 9 1.263 -4.215 11.308 98 HA LEU 9 HA LEU 9 3.578 -5.242 10.024 99 HB2 LEU 9 2HB LEU 9 0.727 -4.818 9.261 100 HB3 LEU 9 1HB LEU 9 1.867 -5.074 7.947 101 HG LEU 9 HG LEU 9 0.717 -7.158 8.938 102 HD11 LEU 9 1HD1 LEU 9 2.594 -8.506 8.465 103 HD12 LEU 9 2HD1 LEU 9 3.726 -7.291 9.052 104 HD13 LEU 9 3HD1 LEU 9 2.877 -7.042 7.527 105 HD21 LEU 9 3HD2 LEU 9 1.293 -7.932 11.034 106 HD22 LEU 9 1HD2 LEU 9 1.390 -6.198 11.334 107 HD23 LEU 9 2HD2 LEU 9 2.859 -7.123 11.023 108 H PHE 10 H PHE 10 1.575 -2.454 9.078 109 HA PHE 10 HA PHE 10 3.344 -1.509 7.044 110 HB2 PHE 10 2HB PHE 10 0.939 -0.799 7.391 111 HB3 PHE 10 1HB PHE 10 1.488 0.170 8.759 112 HD1 PHE 10 1HD PHE 10 3.050 2.076 8.403 113 HD2 PHE 10 2HD PHE 10 1.363 -0.124 5.127 114 HE1 PHE 10 1HE PHE 10 3.693 3.897 6.846 115 HE2 PHE 10 2HE PHE 10 2.013 1.693 3.569 116 HZ PHE 10 HZ PHE 10 3.179 3.704 4.433 117 H LYS 11 H LYS 11 3.061 -0.743 10.497 118 HA LYS 11 HA LYS 11 4.978 1.342 10.593 119 HB2 LYS 11 2HB LYS 11 3.357 0.654 12.419 120 HB3 LYS 11 1HB LYS 11 4.468 -0.663 12.788 121 HG2 LYS 11 2HG LYS 11 6.290 0.979 13.138 122 HG3 LYS 11 1HG LYS 11 5.150 2.289 12.830 123 HD2 LYS 11 2HD LYS 11 3.742 1.413 14.725 124 HD3 LYS 11 1HD LYS 11 5.040 0.276 15.091 125 HE2 LYS 11 2HE LYS 11 5.170 3.299 15.165 126 HE3 LYS 11 1HE LYS 11 5.371 2.182 16.515 127 HZ1 LYS 11 3HZ LYS 11 7.532 2.694 15.949 128 HZ2 LYS 11 1HZ LYS 11 7.209 2.745 14.285 129 HZ3 LYS 11 2HZ LYS 11 7.284 1.250 15.089 130 H THR 12 H THR 12 5.408 -2.180 10.867 131 HA THR 12 HA THR 12 8.345 -1.727 11.122 132 HB THR 12 HB THR 12 8.483 -3.941 12.025 133 HG1 THR 12 1HG THR 12 7.114 -5.396 11.422 134 HG21 THR 12 3HG2 THR 12 5.869 -3.037 13.180 135 HG22 THR 12 1HG2 THR 12 7.276 -1.982 13.329 136 HG23 THR 12 2HG2 THR 12 7.320 -3.609 14.007 137 H ARG 13 H ARG 13 6.272 -2.186 8.595 138 HA ARG 13 HA ARG 13 8.434 -3.492 7.053 139 HB2 ARG 13 2HB ARG 13 5.590 -4.537 7.099 140 HB3 ARG 13 1HB ARG 13 6.854 -5.091 6.008 141 HG2 ARG 13 2HG ARG 13 8.237 -5.701 8.010 142 HG3 ARG 13 1HG ARG 13 6.855 -5.297 9.029 143 HD2 ARG 13 2HD ARG 13 6.767 -7.670 8.658 144 HD3 ARG 13 1HD ARG 13 5.501 -6.950 7.664 145 HE ARG 13 HE ARG 13 7.619 -7.050 5.927 146 HH11 ARG 13 1HH2 ARG 13 6.156 -9.293 8.099 147 HH12 ARG 13 2HH2 ARG 13 6.543 -10.680 7.137 148 HH21 ARG 13 1HH1 ARG 13 8.131 -8.848 4.657 149 HH22 ARG 13 2HH1 ARG 13 7.660 -10.429 5.189 150 H CYS 14 H CYS 14 7.171 -0.759 7.118 151 HA CYS 14 HA CYS 14 7.036 -0.404 4.259 152 HB2 CYS 14 2HB CYS 14 4.762 -1.450 4.951 153 HB3 CYS 14 1HB CYS 14 4.403 0.145 5.612 154 H LEU 15 H LEU 15 6.684 0.870 7.500 155 HA LEU 15 HA LEU 15 6.249 3.622 6.919 156 HB2 LEU 15 2HB LEU 15 6.479 2.248 9.193 157 HB3 LEU 15 1HB LEU 15 8.126 2.856 9.111 158 HG LEU 15 HG LEU 15 6.822 4.446 10.373 159 HD11 LEU 15 1HD1 LEU 15 7.307 6.422 9.184 160 HD12 LEU 15 2HD1 LEU 15 6.986 5.668 7.625 161 HD13 LEU 15 3HD1 LEU 15 8.442 5.244 8.527 162 HD21 LEU 15 3HD2 LEU 15 4.693 3.594 8.865 163 HD22 LEU 15 1HD2 LEU 15 4.996 5.193 8.187 164 HD23 LEU 15 2HD2 LEU 15 4.672 5.011 9.910 165 H GLN 16 H GLN 16 9.236 1.709 6.991 166 HA GLN 16 HA GLN 16 11.116 3.803 6.822 167 HB2 GLN 16 2HB GLN 16 11.211 1.037 5.590 168 HB3 GLN 16 1HB GLN 16 12.601 2.114 5.745 169 HG2 GLN 16 2HG GLN 16 12.317 2.153 8.186 170 HG3 GLN 16 1HG GLN 16 10.907 1.103 8.048 171 HE21 GLN 16 1HE2 GLN 16 13.171 0.264 9.557 172 HE22 GLN 16 2HE2 GLN 16 13.919 -1.028 8.748 173 H CYS 17 H CYS 17 9.224 2.304 4.204 174 HA CYS 17 HA CYS 17 10.635 4.031 2.251 175 HB2 CYS 17 2HB CYS 17 8.593 1.827 1.917 176 HB3 CYS 17 1HB CYS 17 9.230 2.783 0.579 177 H HIS 18 H HIS 18 7.243 3.390 3.238 178 HA HIS 18 HA HIS 18 6.487 5.945 1.904 179 HB2 HIS 18 2HB HIS 18 4.874 3.593 2.915 180 HB3 HIS 18 1HB HIS 18 4.133 5.091 2.344 181 HD1 HIS 18 1HD HIS 18 4.713 5.735 -0.237 182 HD2 HIS 18 2HD HIS 18 5.605 1.844 0.934 183 HE1 HIS 18 1HE HIS 18 4.977 4.386 -2.376 184 H THR 19 H THR 19 6.117 7.723 3.126 185 HA THR 19 HA THR 19 6.094 7.468 6.064 186 HB THR 19 HB THR 19 6.254 9.898 6.074 187 HG1 THR 19 1HG THR 19 5.935 11.072 4.263 188 HG21 THR 19 3HG2 THR 19 8.028 9.447 3.780 189 HG22 THR 19 1HG2 THR 19 8.145 8.194 5.016 190 HG23 THR 19 2HG2 THR 19 8.427 9.883 5.441 191 H VAL 20 H VAL 20 3.871 7.977 3.438 192 HA VAL 20 HA VAL 20 1.533 8.137 3.424 193 HB VAL 20 HB VAL 20 1.542 7.564 6.381 194 HG11 VAL 20 1HG1 VAL 20 -0.466 6.223 5.683 195 HG12 VAL 20 2HG1 VAL 20 -0.245 6.834 4.044 196 HG13 VAL 20 3HG1 VAL 20 -0.622 7.949 5.357 197 HG21 VAL 20 3HG2 VAL 20 1.439 5.088 5.309 198 HG22 VAL 20 1HG2 VAL 20 2.950 5.827 5.843 199 HG23 VAL 20 2HG2 VAL 20 2.505 5.862 4.137 200 H GLU 21 H GLU 21 3.521 10.224 5.034 201 HA GLU 21 HA GLU 21 1.283 11.908 6.055 202 HB2 GLU 21 2HB GLU 21 4.286 12.180 6.392 203 HB3 GLU 21 1HB GLU 21 3.088 13.270 7.091 204 HG2 GLU 21 2HG GLU 21 2.079 11.345 8.301 205 HG3 GLU 21 1HG GLU 21 3.345 10.302 7.652 206 H LYS 22 H LYS 22 0.567 13.549 4.790 207 HA LYS 22 HA LYS 22 1.796 14.139 2.245 208 HB2 LYS 22 2HB LYS 22 0.063 15.807 1.999 209 HB3 LYS 22 1HB LYS 22 -0.657 14.394 2.768 210 HG2 LYS 22 2HG LYS 22 -0.289 15.488 4.996 211 HG3 LYS 22 1HG LYS 22 0.257 16.936 4.146 212 HD2 LYS 22 2HD LYS 22 -1.966 16.886 2.897 213 HD3 LYS 22 1HD LYS 22 -2.487 15.669 4.061 214 HE2 LYS 22 2HE LYS 22 -3.147 17.447 5.312 215 HE3 LYS 22 1HE LYS 22 -1.435 17.595 5.710 216 HZ1 LYS 22 3HZ LYS 22 -1.975 19.686 4.934 217 HZ2 LYS 22 1HZ LYS 22 -3.010 19.099 3.726 218 HZ3 LYS 22 2HZ LYS 22 -1.327 18.950 3.547 219 H GLY 23 H GLY 23 1.780 15.764 5.401 220 HA2 GLY 23 2HA GLY 23 3.079 18.162 4.622 221 HA3 GLY 23 1HA GLY 23 3.172 17.458 6.235 222 H GLY 24 H GLY 24 4.387 14.974 5.419 223 HA2 GLY 24 2HA GLY 24 7.153 15.863 5.321 224 HA3 GLY 24 1HA GLY 24 6.612 14.185 5.355 225 HA PRO 25 HA PRO 25 7.711 15.666 0.927 226 HB2 PRO 25 2HB PRO 25 10.356 15.057 0.753 227 HB3 PRO 25 1HB PRO 25 9.778 16.635 1.321 228 HG2 PRO 25 2HG PRO 25 10.738 14.293 2.896 229 HG3 PRO 25 1HG PRO 25 11.064 16.019 3.127 230 HD2 PRO 25 2HD PRO 25 9.209 14.647 4.604 231 HD3 PRO 25 1HD PRO 25 9.082 16.386 4.254 232 H HIS 26 H HIS 26 9.589 13.967 -0.420 233 HA HIS 26 HA HIS 26 8.230 11.327 -0.070 234 HB2 HIS 26 2HB HIS 26 9.666 12.503 -2.471 235 HB3 HIS 26 1HB HIS 26 8.934 10.901 -2.416 236 HD1 HIS 26 1HD HIS 26 6.274 10.854 -2.007 237 HD2 HIS 26 2HD HIS 26 7.874 14.567 -3.034 238 HE1 HIS 26 1HE HIS 26 4.326 12.294 -2.747 239 HE2 HIS 26 2HE HIS 26 5.287 14.559 -3.367 240 H LYS 27 H LYS 27 9.477 9.574 0.476 241 HA LYS 27 HA LYS 27 12.414 10.041 0.738 242 HB2 LYS 27 2HB LYS 27 10.969 9.318 2.742 243 HB3 LYS 27 1HB LYS 27 10.849 7.752 1.942 244 HG2 LYS 27 2HG LYS 27 13.337 7.620 1.888 245 HG3 LYS 27 1HG LYS 27 13.415 9.147 2.763 246 HD2 LYS 27 2HD LYS 27 12.062 8.101 4.598 247 HD3 LYS 27 1HD LYS 27 12.176 6.562 3.745 248 HE2 LYS 27 2HE LYS 27 14.794 7.763 3.962 249 HE3 LYS 27 1HE LYS 27 14.050 7.648 5.557 250 HZ1 LYS 27 3HZ LYS 27 13.943 5.358 3.708 251 HZ2 LYS 27 1HZ LYS 27 13.857 5.370 5.401 252 HZ3 LYS 27 2HZ LYS 27 15.345 5.642 4.627 253 H VAL 28 H VAL 28 12.036 6.814 0.955 254 HA VAL 28 HA VAL 28 13.246 6.279 -1.589 255 HB VAL 28 HB VAL 28 11.802 4.389 0.298 256 HG11 VAL 28 1HG1 VAL 28 13.123 2.639 -0.838 257 HG12 VAL 28 2HG1 VAL 28 13.787 3.849 -1.933 258 HG13 VAL 28 3HG1 VAL 28 12.066 3.468 -1.981 259 HG21 VAL 28 3HG2 VAL 28 13.634 4.498 1.609 260 HG22 VAL 28 1HG2 VAL 28 14.193 5.851 0.625 261 HG23 VAL 28 2HG2 VAL 28 14.691 4.207 0.226 262 H GLY 29 H GLY 29 9.909 6.091 -0.413 263 HA2 GLY 29 2HA GLY 29 9.029 5.767 -3.256 264 HA3 GLY 29 1HA GLY 29 8.238 4.893 -1.944 265 HA PRO 30 HA PRO 30 6.414 9.262 -2.741 266 HB2 PRO 30 2HB PRO 30 3.977 8.352 -3.686 267 HB3 PRO 30 1HB PRO 30 5.331 8.854 -4.714 268 HG2 PRO 30 2HG PRO 30 4.457 6.124 -3.937 269 HG3 PRO 30 1HG PRO 30 5.101 6.714 -5.479 270 HD2 PRO 30 2HD PRO 30 6.623 5.302 -3.720 271 HD3 PRO 30 1HD PRO 30 7.310 6.562 -4.772 272 H ASN 31 H ASN 31 4.837 10.203 -1.332 273 HA ASN 31 HA ASN 31 4.146 8.559 0.990 274 HB2 ASN 31 2HB ASN 31 3.527 11.450 0.302 275 HB3 ASN 31 1HB ASN 31 3.142 10.687 1.845 276 HD21 ASN 31 1HD2 ASN 31 5.985 9.268 0.781 277 HD22 ASN 31 2HD2 ASN 31 7.099 10.268 1.584 278 H LEU 32 H LEU 32 2.052 7.854 1.526 279 HA LEU 32 HA LEU 32 0.091 7.963 -0.696 280 HB2 LEU 32 2HB LEU 32 0.151 6.304 1.844 281 HB3 LEU 32 1HB LEU 32 -1.112 6.214 0.619 282 HG LEU 32 HG LEU 32 0.690 5.700 -1.080 283 HD11 LEU 32 1HD1 LEU 32 2.330 6.061 1.341 284 HD12 LEU 32 2HD1 LEU 32 2.791 6.156 -0.357 285 HD13 LEU 32 3HD1 LEU 32 2.690 4.588 0.441 286 HD21 LEU 32 3HD2 LEU 32 1.138 3.416 0.527 287 HD22 LEU 32 1HD2 LEU 32 -0.106 3.626 -0.705 288 HD23 LEU 32 2HD2 LEU 32 -0.454 4.027 0.978 289 H HIS 33 H HIS 33 -1.890 8.964 -0.506 290 HA HIS 33 HA HIS 33 -3.076 9.740 1.998 291 HB2 HIS 33 2HB HIS 33 -1.183 11.373 1.928 292 HB3 HIS 33 1HB HIS 33 -1.804 11.981 0.394 293 HD1 HIS 33 1HD HIS 33 -3.895 13.470 0.451 294 HD2 HIS 33 2HD HIS 33 -2.842 11.987 4.206 295 HE1 HIS 33 1HE HIS 33 -5.308 14.724 2.142 296 HE2 HIS 33 2HE HIS 33 -4.674 13.829 4.428 297 H GLY 34 H GLY 34 -4.910 8.838 0.945 298 HA2 GLY 34 2HA GLY 34 -7.016 9.375 -0.080 299 HA3 GLY 34 1HA GLY 34 -6.230 10.701 -0.939 300 H ILE 35 H ILE 35 -4.264 8.016 -1.131 301 HA ILE 35 HA ILE 35 -4.550 7.706 -3.938 302 HB ILE 35 HB ILE 35 -2.605 6.946 -2.457 303 HG12 ILE 35 2HG1 ILE 35 -3.612 4.796 -4.336 304 HG13 ILE 35 1HG1 ILE 35 -3.011 6.347 -4.924 305 HG21 ILE 35 1HG2 ILE 35 -4.167 5.655 -0.913 306 HG22 ILE 35 2HG2 ILE 35 -2.728 4.780 -1.439 307 HG23 ILE 35 3HG2 ILE 35 -4.288 4.447 -2.191 308 HD11 ILE 35 3HD1 ILE 35 -1.454 4.443 -3.152 309 HD12 ILE 35 1HD1 ILE 35 -0.860 5.963 -3.817 310 HD13 ILE 35 2HD1 ILE 35 -1.229 4.616 -4.892 311 H PHE 36 H PHE 36 -6.400 6.389 -1.315 312 HA PHE 36 HA PHE 36 -7.468 4.094 -2.678 313 HB2 PHE 36 2HB PHE 36 -8.487 5.775 -0.378 314 HB3 PHE 36 1HB PHE 36 -9.315 4.330 -0.950 315 HD1 PHE 36 2HD PHE 36 -6.223 5.620 0.627 316 HD2 PHE 36 1HD PHE 36 -8.417 2.123 -0.564 317 HE1 PHE 36 2HE PHE 36 -4.689 4.200 1.963 318 HE2 PHE 36 1HE PHE 36 -6.882 0.706 0.770 319 HZ PHE 36 HZ PHE 36 -5.019 1.744 2.031 320 H GLY 37 H GLY 37 -9.152 3.953 -4.118 321 HA2 GLY 37 2HA GLY 37 -10.982 4.625 -5.441 322 HA3 GLY 37 1HA GLY 37 -11.172 6.019 -4.376 323 H ARG 38 H ARG 38 -8.045 5.479 -5.774 324 HA ARG 38 HA ARG 38 -8.611 7.407 -7.952 325 HB2 ARG 38 2HB ARG 38 -6.543 7.817 -5.780 326 HB3 ARG 38 1HB ARG 38 -6.575 8.732 -7.288 327 HG2 ARG 38 2HG ARG 38 -8.921 9.426 -6.765 328 HG3 ARG 38 1HG ARG 38 -8.777 8.613 -5.207 329 HD2 ARG 38 2HD ARG 38 -6.831 10.065 -4.662 330 HD3 ARG 38 1HD ARG 38 -7.066 10.915 -6.187 331 HE ARG 38 HE ARG 38 -8.807 12.105 -5.153 332 HH11 ARG 38 1HH2 ARG 38 -8.205 9.107 -3.558 333 HH12 ARG 38 2HH2 ARG 38 -9.355 9.399 -2.294 334 HH21 ARG 38 1HH1 ARG 38 -10.308 12.501 -3.513 335 HH22 ARG 38 2HH1 ARG 38 -10.544 11.318 -2.270 336 H HIS 39 H HIS 39 -6.676 7.602 -9.441 337 HA HIS 39 HA HIS 39 -5.508 4.904 -9.789 338 HB2 HIS 39 2HB HIS 39 -5.633 7.305 -11.633 339 HB3 HIS 39 1HB HIS 39 -4.886 5.764 -12.054 340 HD1 HIS 39 1HD HIS 39 -8.225 7.371 -11.432 341 HD2 HIS 39 2HD HIS 39 -6.723 3.638 -12.533 342 HE1 HIS 39 1HE HIS 39 -10.210 5.998 -12.207 343 HE2 HIS 39 2HE HIS 39 -9.306 3.724 -12.879 344 H SER 40 H SER 40 -3.209 4.761 -10.471 345 HA SER 40 HA SER 40 -1.476 6.113 -8.626 346 HB2 SER 40 2HB SER 40 0.309 4.914 -9.703 347 HB3 SER 40 1HB SER 40 -1.089 3.842 -9.693 348 HG SER 40 HG SER 40 -1.423 5.091 -11.863 349 H GLY 41 H GLY 41 0.468 7.403 -9.363 350 HA2 GLY 41 2HA GLY 41 1.484 8.941 -10.940 351 HA3 GLY 41 1HA GLY 41 -0.060 9.037 -11.785 352 H GLN 42 H GLN 42 -1.113 9.174 -8.781 353 HA GLN 42 HA GLN 42 -1.641 11.978 -8.800 354 HB2 GLN 42 2HB GLN 42 -2.959 10.217 -7.557 355 HB3 GLN 42 1HB GLN 42 -1.655 10.171 -6.370 356 HG2 GLN 42 2HG GLN 42 -1.950 12.632 -6.024 357 HG3 GLN 42 1HG GLN 42 -3.344 12.579 -7.105 358 HE21 GLN 42 1HE2 GLN 42 -5.325 11.743 -6.272 359 HE22 GLN 42 2HE2 GLN 42 -5.508 11.218 -4.668 360 H ALA 43 H ALA 43 0.863 10.061 -7.160 361 HA ALA 43 HA ALA 43 1.898 12.293 -5.637 362 HB1 ALA 43 1HB ALA 43 2.263 9.667 -5.398 363 HB2 ALA 43 2HB ALA 43 3.484 10.815 -4.850 364 HB3 ALA 43 3HB ALA 43 3.667 10.011 -6.407 365 H GLU 44 H GLU 44 1.749 13.664 -7.727 366 HA GLU 44 HA GLU 44 3.666 13.386 -9.817 367 HB2 GLU 44 2HB GLU 44 2.383 15.885 -8.669 368 HB3 GLU 44 1HB GLU 44 3.283 15.827 -10.185 369 HG2 GLU 44 2HG GLU 44 1.690 14.122 -11.041 370 HG3 GLU 44 1HG GLU 44 0.767 14.261 -9.545 371 H GLY 45 H GLY 45 3.882 14.777 -6.588 372 HA2 GLY 45 2HA GLY 45 6.289 16.234 -6.843 373 HA3 GLY 45 1HA GLY 45 5.761 15.449 -5.354 374 H TYR 46 H TYR 46 5.752 12.758 -6.507 375 HA TYR 46 HA TYR 46 8.713 12.342 -6.615 376 HB2 TYR 46 2HB TYR 46 7.361 11.311 -4.711 377 HB3 TYR 46 1HB TYR 46 6.605 10.283 -5.927 378 HD1 TYR 46 1HD TYR 46 9.889 11.259 -4.467 379 HD2 TYR 46 2HD TYR 46 7.723 8.358 -6.779 380 HE1 TYR 46 1HE TYR 46 11.838 9.730 -4.371 381 HE2 TYR 46 2HE TYR 46 9.678 6.826 -6.683 382 HH TYR 46 HH TYR 46 12.141 7.014 -6.359 383 H SER 47 H SER 47 9.569 11.358 -8.409 384 HA SER 47 HA SER 47 8.007 11.121 -10.794 385 HB2 SER 47 2HB SER 47 10.708 9.895 -10.171 386 HB3 SER 47 1HB SER 47 10.020 10.115 -11.778 387 HG SER 47 HG SER 47 9.882 12.417 -11.128 388 H TYR 48 H TYR 48 7.525 9.170 -12.002 389 HA TYR 48 HA TYR 48 7.055 6.803 -10.232 390 HB2 TYR 48 2HB TYR 48 5.531 7.895 -12.601 391 HB3 TYR 48 1HB TYR 48 5.316 6.235 -12.051 392 HD1 TYR 48 2HD TYR 48 4.847 9.794 -11.194 393 HD2 TYR 48 1HD TYR 48 4.277 5.733 -9.912 394 HE1 TYR 48 2HE TYR 48 3.297 10.569 -9.420 395 HE2 TYR 48 1HE TYR 48 2.729 6.508 -8.139 396 HH TYR 48 HH TYR 48 1.634 8.243 -7.289 397 H THR 49 H THR 49 7.659 4.753 -11.022 398 HA THR 49 HA THR 49 9.796 4.763 -13.004 399 HB THR 49 HB THR 49 10.074 2.451 -12.454 400 HG1 THR 49 1HG THR 49 7.438 2.535 -12.277 401 HG21 THR 49 3HG2 THR 49 9.065 3.968 -10.031 402 HG22 THR 49 1HG2 THR 49 10.720 3.947 -10.641 403 HG23 THR 49 2HG2 THR 49 10.013 2.482 -9.960 404 H ASP 50 H ASP 50 9.748 3.332 -14.925 405 HA ASP 50 HA ASP 50 7.528 3.832 -16.613 406 HB2 ASP 50 2HB ASP 50 9.688 1.729 -16.787 407 HB3 ASP 50 1HB ASP 50 8.548 2.068 -18.085 408 H ALA 51 H ALA 51 8.227 1.114 -14.482 409 HA ALA 51 HA ALA 51 6.453 -0.821 -15.428 410 HB1 ALA 51 1HB ALA 51 7.846 -0.304 -12.996 411 HB2 ALA 51 2HB ALA 51 7.168 -1.831 -13.558 412 HB3 ALA 51 3HB ALA 51 6.187 -0.736 -12.586 413 H ASN 52 H ASN 52 5.519 1.303 -12.685 414 HA ASN 52 HA ASN 52 2.757 0.780 -12.881 415 HB2 ASN 52 2HB ASN 52 3.857 1.972 -10.979 416 HB3 ASN 52 1HB ASN 52 4.008 3.400 -12.005 417 HD21 ASN 52 1HD2 ASN 52 1.540 1.188 -10.579 418 HD22 ASN 52 2HD2 ASN 52 0.288 2.336 -10.601 419 H ILE 53 H ILE 53 4.671 3.300 -14.537 420 HA ILE 53 HA ILE 53 2.482 4.650 -15.744 421 HB ILE 53 HB ILE 53 5.293 4.233 -16.797 422 HG12 ILE 53 2HG1 ILE 53 4.113 6.535 -15.212 423 HG13 ILE 53 1HG1 ILE 53 5.113 5.262 -14.512 424 HG21 ILE 53 1HG2 ILE 53 2.958 5.551 -17.875 425 HG22 ILE 53 2HG2 ILE 53 4.543 5.327 -18.611 426 HG23 ILE 53 3HG2 ILE 53 4.242 6.720 -17.575 427 HD11 ILE 53 3HD1 ILE 53 7.016 6.199 -15.291 428 HD12 ILE 53 1HD1 ILE 53 6.044 7.629 -15.644 429 HD13 ILE 53 2HD1 ILE 53 6.328 6.423 -16.900 430 H LYS 54 H LYS 54 4.466 1.926 -16.921 431 HA LYS 54 HA LYS 54 3.151 1.608 -19.428 432 HB2 LYS 54 2HB LYS 54 5.289 0.476 -18.771 433 HB3 LYS 54 1HB LYS 54 4.357 -0.577 -17.705 434 HG2 LYS 54 2HG LYS 54 3.023 -1.338 -19.657 435 HG3 LYS 54 1HG LYS 54 4.019 -0.332 -20.709 436 HD2 LYS 54 2HD LYS 54 6.035 -1.590 -19.906 437 HD3 LYS 54 1HD LYS 54 4.956 -2.665 -19.017 438 HE2 LYS 54 2HE LYS 54 3.985 -3.520 -20.996 439 HE3 LYS 54 1HE LYS 54 4.589 -2.180 -21.971 440 HZ1 LYS 54 3HZ LYS 54 5.855 -4.253 -22.276 441 HZ2 LYS 54 1HZ LYS 54 6.307 -4.203 -20.642 442 HZ3 LYS 54 2HZ LYS 54 6.817 -2.976 -21.700 443 H LYS 55 H LYS 55 2.401 0.393 -16.198 444 HA LYS 55 HA LYS 55 -0.243 -0.528 -17.252 445 HB2 LYS 55 2HB LYS 55 1.190 -2.455 -16.647 446 HB3 LYS 55 1HB LYS 55 1.402 -1.783 -15.032 447 HG2 LYS 55 2HG LYS 55 -1.036 -1.920 -14.655 448 HG3 LYS 55 1HG LYS 55 -1.242 -2.612 -16.265 449 HD2 LYS 55 2HD LYS 55 0.299 -4.477 -15.590 450 HD3 LYS 55 1HD LYS 55 0.303 -3.819 -13.954 451 HE2 LYS 55 2HE LYS 55 -2.304 -4.414 -15.334 452 HE3 LYS 55 1HE LYS 55 -1.404 -5.707 -14.541 453 HZ1 LYS 55 3HZ LYS 55 -2.384 -3.196 -13.299 454 HZ2 LYS 55 1HZ LYS 55 -1.366 -4.308 -12.520 455 HZ3 LYS 55 2HZ LYS 55 -2.932 -4.775 -12.986 456 H ASN 56 H ASN 56 -1.772 0.825 -16.440 457 HA ASN 56 HA ASN 56 -1.263 2.117 -13.812 458 HB2 ASN 56 2HB ASN 56 -1.985 3.412 -15.945 459 HB3 ASN 56 1HB ASN 56 -3.586 2.740 -15.630 460 HD21 ASN 56 1HD2 ASN 56 -2.226 2.958 -12.625 461 HD22 ASN 56 2HD2 ASN 56 -2.741 4.513 -12.180 462 H VAL 57 H VAL 57 -2.554 1.677 -12.051 463 HA VAL 57 HA VAL 57 -4.858 -0.178 -12.476 464 HB VAL 57 HB VAL 57 -2.857 -1.400 -11.634 465 HG11 VAL 57 1HG1 VAL 57 -2.473 0.924 -10.152 466 HG12 VAL 57 2HG1 VAL 57 -1.588 -0.587 -9.946 467 HG13 VAL 57 3HG1 VAL 57 -3.003 -0.250 -8.949 468 HG21 VAL 57 3HG2 VAL 57 -5.349 -1.814 -10.924 469 HG22 VAL 57 1HG2 VAL 57 -4.818 -1.195 -9.360 470 HG23 VAL 57 2HG2 VAL 57 -4.060 -2.633 -10.042 471 H LEU 58 H LEU 58 -6.608 0.126 -11.056 472 HA LEU 58 HA LEU 58 -6.780 2.780 -9.835 473 HB2 LEU 58 2HB LEU 58 -8.736 1.785 -10.970 474 HB3 LEU 58 1HB LEU 58 -8.727 0.447 -9.822 475 HG LEU 58 HG LEU 58 -9.071 2.086 -7.967 476 HD11 LEU 58 1HD1 LEU 58 -10.074 4.331 -9.179 477 HD12 LEU 58 2HD1 LEU 58 -8.706 3.948 -10.223 478 HD13 LEU 58 3HD1 LEU 58 -8.452 4.204 -8.496 479 HD21 LEU 58 3HD2 LEU 58 -11.184 1.386 -8.366 480 HD22 LEU 58 1HD2 LEU 58 -10.948 1.436 -10.113 481 HD23 LEU 58 2HD2 LEU 58 -11.404 2.901 -9.242 482 H TRP 59 H TRP 59 -6.413 3.221 -7.687 483 HA TRP 59 HA TRP 59 -5.663 0.928 -5.975 484 HB2 TRP 59 2HB TRP 59 -5.305 3.918 -5.688 485 HB3 TRP 59 1HB TRP 59 -4.903 2.777 -4.402 486 HD1 TRP 59 HD TRP 59 -3.442 4.378 -7.353 487 HE1 TRP 59 1HE TRP 59 -1.269 3.193 -8.073 488 HE3 TRP 59 3HE TRP 59 -3.809 0.117 -4.577 489 HZ2 TRP 59 2HZ TRP 59 0.127 0.752 -7.544 490 HZ3 TRP 59 3HZ TRP 59 -2.047 -1.616 -4.699 491 HH2 TRP 59 HH TRP 59 -0.080 -1.305 -6.179 492 H ASP 60 H ASP 60 -7.028 0.127 -4.544 493 HA ASP 60 HA ASP 60 -8.965 1.819 -3.121 494 HB2 ASP 60 2HB ASP 60 -10.089 1.067 -5.282 495 HB3 ASP 60 1HB ASP 60 -9.946 -0.587 -4.684 496 H GLU 61 H GLU 61 -10.133 0.355 -1.438 497 HA GLU 61 HA GLU 61 -8.208 -1.029 0.100 498 HB2 GLU 61 2HB GLU 61 -11.221 -1.390 0.071 499 HB3 GLU 61 1HB GLU 61 -10.145 -1.953 1.351 500 HG2 GLU 61 2HG GLU 61 -9.396 0.383 1.724 501 HG3 GLU 61 1HG GLU 61 -10.525 0.929 0.485 502 H ASN 62 H ASN 62 -10.534 -2.275 -2.283 503 HA ASN 62 HA ASN 62 -9.882 -5.054 -1.850 504 HB2 ASN 62 2HB ASN 62 -11.974 -4.359 -2.941 505 HB3 ASN 62 1HB ASN 62 -11.055 -3.677 -4.284 506 HD21 ASN 62 1HD2 ASN 62 -10.144 -5.137 -5.842 507 HD22 ASN 62 2HD2 ASN 62 -10.474 -6.803 -5.834 508 H ASN 63 H ASN 63 -8.868 -2.709 -4.348 509 HA ASN 63 HA ASN 63 -7.154 -4.466 -5.768 510 HB2 ASN 63 2HB ASN 63 -7.932 -2.174 -6.497 511 HB3 ASN 63 1HB ASN 63 -6.711 -1.496 -5.419 512 HD21 ASN 63 1HD2 ASN 63 -4.725 -1.124 -6.406 513 HD22 ASN 63 2HD2 ASN 63 -4.147 -1.945 -7.775 514 H MET 64 H MET 64 -6.458 -2.356 -2.984 515 HA MET 64 HA MET 64 -3.644 -2.813 -2.949 516 HB2 MET 64 2HB MET 64 -5.575 -2.179 -0.706 517 HB3 MET 64 1HB MET 64 -3.824 -2.236 -0.494 518 HG2 MET 64 2HG MET 64 -3.623 -0.553 -2.357 519 HG3 MET 64 1HG MET 64 -5.379 -0.403 -2.334 520 HE1 MET 64 3HE MET 64 -4.408 1.785 -2.411 521 HE2 MET 64 1HE MET 64 -3.453 2.590 -1.158 522 HE3 MET 64 2HE MET 64 -5.214 2.658 -1.108 523 H SER 65 H SER 65 -6.329 -4.666 -1.544 524 HA SER 65 HA SER 65 -4.801 -6.453 0.030 525 HB2 SER 65 2HB SER 65 -7.284 -7.089 -1.590 526 HB3 SER 65 1HB SER 65 -6.668 -8.032 -0.236 527 HG SER 65 HG SER 65 -7.824 -5.463 -0.277 528 H GLU 66 H GLU 66 -5.585 -6.564 -3.441 529 HA GLU 66 HA GLU 66 -4.230 -9.076 -3.902 530 HB2 GLU 66 2HB GLU 66 -5.942 -8.092 -5.445 531 HB3 GLU 66 1HB GLU 66 -4.774 -6.845 -5.882 532 HG2 GLU 66 2HG GLU 66 -3.194 -8.631 -6.613 533 HG3 GLU 66 1HG GLU 66 -4.437 -9.834 -6.269 534 H HIS 67 H HIS 67 -3.247 -5.678 -4.032 535 HA HIS 67 HA HIS 67 -0.695 -6.060 -5.242 536 HB2 HIS 67 2HB HIS 67 -1.907 -3.868 -4.856 537 HB3 HIS 67 1HB HIS 67 -1.391 -3.964 -3.174 538 HD1 HIS 67 1HD HIS 67 0.185 -4.070 -6.651 539 HD2 HIS 67 2HD HIS 67 1.126 -2.879 -2.765 540 HE1 HIS 67 1HE HIS 67 2.461 -2.965 -6.769 541 HE2 HIS 67 2HE HIS 67 3.045 -2.241 -4.411 542 H LEU 68 H LEU 68 -1.610 -5.905 -1.796 543 HA LEU 68 HA LEU 68 1.021 -6.324 -0.775 544 HB2 LEU 68 2HB LEU 68 -1.750 -6.644 0.316 545 HB3 LEU 68 1HB LEU 68 -0.399 -7.321 1.224 546 HG LEU 68 HG LEU 68 0.676 -5.179 1.389 547 HD11 LEU 68 1HD1 LEU 68 -0.650 -3.173 0.347 548 HD12 LEU 68 2HD1 LEU 68 -1.333 -4.406 -0.705 549 HD13 LEU 68 3HD1 LEU 68 0.405 -4.134 -0.688 550 HD21 LEU 68 3HD2 LEU 68 -2.302 -5.089 1.901 551 HD22 LEU 68 1HD2 LEU 68 -1.234 -3.767 2.372 552 HD23 LEU 68 2HD2 LEU 68 -1.006 -5.374 3.062 553 H THR 69 H THR 69 -1.330 -8.551 -2.100 554 HA THR 69 HA THR 69 0.109 -10.892 -1.039 555 HB THR 69 HB THR 69 -2.068 -10.789 -3.149 556 HG1 THR 69 1HG THR 69 -2.795 -9.883 -1.225 557 HG21 THR 69 3HG2 THR 69 -1.075 -13.002 -1.331 558 HG22 THR 69 1HG2 THR 69 -0.800 -12.894 -3.069 559 HG23 THR 69 2HG2 THR 69 -2.434 -13.131 -2.448 560 H ASN 70 H ASN 70 1.844 -11.777 -2.060 561 HA ASN 70 HA ASN 70 3.572 -11.925 -3.666 562 HB2 ASN 70 2HB ASN 70 1.088 -12.406 -5.340 563 HB3 ASN 70 1HB ASN 70 2.731 -12.831 -5.824 564 HD21 ASN 70 1HD2 ASN 70 3.395 -14.907 -5.243 565 HD22 ASN 70 2HD2 ASN 70 2.680 -15.853 -4.029 566 HA PRO 71 HA PRO 71 2.555 -7.573 -5.282 567 HB2 PRO 71 2HB PRO 71 4.727 -6.376 -4.069 568 HB3 PRO 71 1HB PRO 71 3.102 -6.451 -3.362 569 HG2 PRO 71 2HG PRO 71 5.487 -8.136 -2.811 570 HG3 PRO 71 1HG PRO 71 4.258 -7.515 -1.694 571 HD2 PRO 71 2HD PRO 71 4.256 -10.089 -2.546 572 HD3 PRO 71 1HD PRO 71 2.755 -9.208 -2.186 573 H ALA 72 H ALA 72 5.418 -9.597 -5.192 574 HA ALA 72 HA ALA 72 7.120 -8.112 -6.903 575 HB1 ALA 72 1HB ALA 72 6.780 -11.122 -6.725 576 HB2 ALA 72 2HB ALA 72 7.863 -10.145 -5.735 577 HB3 ALA 72 3HB ALA 72 8.149 -10.294 -7.468 578 H LYS 73 H LYS 73 4.643 -10.549 -7.738 579 HA LYS 73 HA LYS 73 4.985 -10.354 -10.570 580 HB2 LYS 73 2HB LYS 73 2.533 -11.077 -8.936 581 HB3 LYS 73 1HB LYS 73 2.685 -11.322 -10.677 582 HG2 LYS 73 2HG LYS 73 4.700 -12.737 -10.262 583 HG3 LYS 73 1HG LYS 73 4.421 -12.569 -8.529 584 HD2 LYS 73 2HD LYS 73 2.145 -13.550 -8.840 585 HD3 LYS 73 1HD LYS 73 2.531 -13.820 -10.540 586 HE2 LYS 73 2HE LYS 73 3.945 -15.021 -8.144 587 HE3 LYS 73 1HE LYS 73 2.967 -15.878 -9.336 588 HZ1 LYS 73 3HZ LYS 73 5.243 -16.175 -9.898 589 HZ2 LYS 73 1HZ LYS 73 5.560 -14.513 -9.792 590 HZ3 LYS 73 2HZ LYS 73 4.577 -15.110 -11.042 591 H TYR 74 H TYR 74 3.151 -8.446 -8.256 592 HA TYR 74 HA TYR 74 1.437 -7.041 -10.015 593 HB2 TYR 74 2HB TYR 74 1.615 -6.994 -7.423 594 HB3 TYR 74 1HB TYR 74 2.811 -5.725 -7.676 595 HD1 TYR 74 1HD TYR 74 2.112 -3.695 -9.121 596 HD2 TYR 74 2HD TYR 74 -0.682 -6.508 -7.480 597 HE1 TYR 74 1HE TYR 74 0.301 -2.028 -9.361 598 HE2 TYR 74 2HE TYR 74 -2.501 -4.842 -7.729 599 HH TYR 74 HH TYR 74 -1.957 -1.613 -8.188 600 H ILE 75 H ILE 75 4.671 -5.999 -8.828 601 HA ILE 75 HA ILE 75 5.095 -4.646 -11.446 602 HB ILE 75 HB ILE 75 6.154 -2.734 -10.009 603 HG12 ILE 75 2HG1 ILE 75 4.100 -3.848 -8.075 604 HG13 ILE 75 1HG1 ILE 75 5.844 -3.957 -7.861 605 HG21 ILE 75 1HG2 ILE 75 4.439 -1.812 -11.161 606 HG22 ILE 75 2HG2 ILE 75 3.515 -1.992 -9.672 607 HG23 ILE 75 3HG2 ILE 75 3.408 -3.220 -10.929 608 HD11 ILE 75 3HD1 ILE 75 4.354 -1.345 -8.197 609 HD12 ILE 75 1HD1 ILE 75 6.052 -1.553 -7.774 610 HD13 ILE 75 2HD1 ILE 75 4.795 -2.031 -6.633 611 HA PRO 76 HA PRO 76 8.725 -7.143 -9.871 612 HB2 PRO 76 2HB PRO 76 8.959 -7.758 -12.747 613 HB3 PRO 76 1HB PRO 76 8.905 -8.861 -11.363 614 HG2 PRO 76 2HG PRO 76 6.866 -8.576 -13.111 615 HG3 PRO 76 1HG PRO 76 6.639 -9.025 -11.414 616 HD2 PRO 76 2HD PRO 76 6.115 -6.412 -12.753 617 HD3 PRO 76 1HD PRO 76 5.305 -7.145 -11.352 618 H GLY 77 H GLY 77 8.347 -5.028 -12.683 619 HA2 GLY 77 2HA GLY 77 11.124 -4.508 -13.129 620 HA3 GLY 77 1HA GLY 77 9.802 -3.471 -13.656 621 H THR 78 H THR 78 8.814 -3.132 -10.858 622 HA THR 78 HA THR 78 10.467 -0.834 -10.206 623 HB THR 78 HB THR 78 8.901 -0.491 -8.356 624 HG1 THR 78 1HG THR 78 8.702 -2.704 -7.794 625 HG21 THR 78 3HG2 THR 78 7.684 -1.366 -10.979 626 HG22 THR 78 1HG2 THR 78 8.109 0.269 -10.480 627 HG23 THR 78 2HG2 THR 78 6.757 -0.561 -9.713 628 H LYS 79 H LYS 79 11.493 -0.491 -8.118 629 HA LYS 79 HA LYS 79 12.997 -2.860 -7.252 630 HB2 LYS 79 2HB LYS 79 14.316 -1.260 -5.946 631 HB3 LYS 79 1HB LYS 79 14.116 -0.664 -7.594 632 HG2 LYS 79 2HG LYS 79 12.157 0.696 -6.795 633 HG3 LYS 79 1HG LYS 79 12.550 0.203 -5.148 634 HD2 LYS 79 2HD LYS 79 14.864 1.142 -5.505 635 HD3 LYS 79 1HD LYS 79 14.298 1.795 -7.042 636 HE2 LYS 79 2HE LYS 79 13.450 3.578 -5.964 637 HE3 LYS 79 1HE LYS 79 12.385 2.509 -5.053 638 HZ1 LYS 79 3HZ LYS 79 15.181 2.670 -4.221 639 HZ2 LYS 79 1HZ LYS 79 13.782 2.460 -3.285 640 HZ3 LYS 79 2HZ LYS 79 14.182 4.001 -3.875 641 H MET 80 H MET 80 10.016 -1.778 -6.497 642 HA MET 80 HA MET 80 10.138 -1.857 -3.588 643 HB2 MET 80 2HB MET 80 8.368 -0.597 -4.766 644 HB3 MET 80 1HB MET 80 7.755 -2.102 -5.452 645 HG2 MET 80 2HG MET 80 7.257 -2.964 -3.229 646 HG3 MET 80 1HG MET 80 7.978 -1.540 -2.481 647 HE1 MET 80 3HE MET 80 4.719 -3.088 -3.974 648 HE2 MET 80 1HE MET 80 3.795 -2.096 -2.837 649 HE3 MET 80 2HE MET 80 5.191 -3.012 -2.278 650 H ALA 81 H ALA 81 10.054 -3.646 -2.317 651 HA ALA 81 HA ALA 81 8.976 -6.168 -3.472 652 HB1 ALA 81 1HB ALA 81 11.765 -5.633 -2.634 653 HB2 ALA 81 2HB ALA 81 11.137 -6.838 -3.759 654 HB3 ALA 81 3HB ALA 81 11.066 -7.131 -2.022 655 H PHE 82 H PHE 82 7.187 -6.023 -2.078 656 HA PHE 82 HA PHE 82 7.748 -5.945 0.847 657 HB2 PHE 82 2HB PHE 82 6.052 -4.363 0.037 658 HB3 PHE 82 1HB PHE 82 5.139 -5.687 -0.679 659 HD1 PHE 82 2HD PHE 82 6.242 -4.153 2.505 660 HD2 PHE 82 1HD PHE 82 3.812 -7.182 0.671 661 HE1 PHE 82 2HE PHE 82 5.086 -4.536 4.666 662 HE2 PHE 82 1HE PHE 82 2.655 -7.565 2.831 663 HZ PHE 82 HZ PHE 82 3.292 -6.241 4.829 664 H GLY 83 H GLY 83 7.539 -7.795 2.042 665 HA2 GLY 83 2HA GLY 83 7.206 -10.331 0.763 666 HA3 GLY 83 1HA GLY 83 7.180 -10.068 2.507 667 H GLY 84 H GLY 84 5.372 -11.467 0.290 668 HA2 GLY 84 2HA GLY 84 2.775 -10.242 0.643 669 HA3 GLY 84 1HA GLY 84 3.068 -11.868 0.017 670 H LEU 85 H LEU 85 1.115 -10.858 2.111 671 HA LEU 85 HA LEU 85 2.117 -12.252 4.530 672 HB2 LEU 85 2HB LEU 85 -0.511 -10.801 4.093 673 HB3 LEU 85 1HB LEU 85 0.152 -11.331 5.640 674 HG LEU 85 HG LEU 85 1.369 -9.267 3.780 675 HD11 LEU 85 1HD1 LEU 85 -0.380 -8.199 4.938 676 HD12 LEU 85 2HD1 LEU 85 1.027 -7.879 5.953 677 HD13 LEU 85 3HD1 LEU 85 -0.114 -9.147 6.400 678 HD21 LEU 85 3HD2 LEU 85 2.863 -9.009 5.932 679 HD22 LEU 85 1HD2 LEU 85 3.240 -10.272 4.758 680 HD23 LEU 85 2HD2 LEU 85 2.372 -10.675 6.240 681 H LYS 86 H LYS 86 1.604 -14.342 4.890 682 HA LYS 86 HA LYS 86 0.015 -15.877 3.068 683 HB2 LYS 86 2HB LYS 86 0.895 -16.516 5.899 684 HB3 LYS 86 1HB LYS 86 0.236 -17.686 4.757 685 HG2 LYS 86 2HG LYS 86 2.098 -17.042 3.168 686 HG3 LYS 86 1HG LYS 86 2.808 -16.109 4.485 687 HD2 LYS 86 2HD LYS 86 2.174 -19.073 4.612 688 HD3 LYS 86 1HD LYS 86 3.777 -18.400 4.315 689 HE2 LYS 86 2HE LYS 86 2.106 -18.216 6.823 690 HE3 LYS 86 1HE LYS 86 3.747 -18.834 6.643 691 HZ1 LYS 86 3HZ LYS 86 4.037 -16.732 7.541 692 HZ2 LYS 86 1HZ LYS 86 2.814 -16.035 6.595 693 HZ3 LYS 86 2HZ LYS 86 4.292 -16.473 5.881 694 H LYS 87 H LYS 87 -0.741 -14.410 6.219 695 HA LYS 87 HA LYS 87 -3.441 -15.574 6.178 696 HB2 LYS 87 2HB LYS 87 -2.065 -15.201 8.290 697 HB3 LYS 87 1HB LYS 87 -2.375 -13.478 8.081 698 HG2 LYS 87 2HG LYS 87 -4.811 -13.919 8.113 699 HG3 LYS 87 1HG LYS 87 -4.489 -15.637 8.358 700 HD2 LYS 87 2HD LYS 87 -3.188 -14.994 10.434 701 HD3 LYS 87 1HD LYS 87 -3.808 -13.355 10.230 702 HE2 LYS 87 2HE LYS 87 -6.122 -14.731 10.028 703 HE3 LYS 87 1HE LYS 87 -5.226 -15.822 11.084 704 HZ1 LYS 87 3HZ LYS 87 -4.832 -14.049 12.613 705 HZ2 LYS 87 1HZ LYS 87 -6.497 -14.103 12.288 706 HZ3 LYS 87 2HZ LYS 87 -5.529 -12.909 11.562 707 H GLU 88 H GLU 88 -5.042 -14.630 5.040 708 HA GLU 88 HA GLU 88 -4.779 -12.021 3.845 709 HB2 GLU 88 2HB GLU 88 -7.199 -13.814 4.201 710 HB3 GLU 88 1HB GLU 88 -7.169 -12.362 3.201 711 HG2 GLU 88 2HG GLU 88 -5.311 -13.336 1.871 712 HG3 GLU 88 1HG GLU 88 -5.414 -14.806 2.840 713 H LYS 89 H LYS 89 -6.326 -13.203 6.795 714 HA LYS 89 HA LYS 89 -7.968 -10.974 7.383 715 HB2 LYS 89 2HB LYS 89 -7.835 -13.158 8.666 716 HB3 LYS 89 1HB LYS 89 -6.368 -12.541 9.419 717 HG2 LYS 89 2HG LYS 89 -7.628 -10.569 10.239 718 HG3 LYS 89 1HG LYS 89 -9.103 -11.237 9.535 719 HD2 LYS 89 2HD LYS 89 -8.772 -13.289 10.947 720 HD3 LYS 89 1HD LYS 89 -7.422 -12.470 11.735 721 HE2 LYS 89 2HE LYS 89 -10.311 -12.086 12.101 722 HE3 LYS 89 1HE LYS 89 -8.977 -11.673 13.179 723 HZ1 LYS 89 3HZ LYS 89 -9.758 -10.126 10.767 724 HZ2 LYS 89 1HZ LYS 89 -8.538 -9.715 11.872 725 HZ3 LYS 89 2HZ LYS 89 -10.165 -9.711 12.363 726 H ASP 90 H ASP 90 -4.587 -11.560 8.383 727 HA ASP 90 HA ASP 90 -4.216 -9.047 9.669 728 HB2 ASP 90 2HB ASP 90 -2.235 -10.869 8.271 729 HB3 ASP 90 1HB ASP 90 -1.775 -9.482 9.254 730 H ARG 91 H ARG 91 -3.827 -10.051 6.297 731 HA ARG 91 HA ARG 91 -2.585 -7.712 5.287 732 HB2 ARG 91 2HB ARG 91 -2.953 -9.837 4.013 733 HB3 ARG 91 1HB ARG 91 -4.663 -9.422 3.889 734 HG2 ARG 91 2HG ARG 91 -4.043 -7.306 2.744 735 HG3 ARG 91 1HG ARG 91 -2.347 -7.787 2.812 736 HD2 ARG 91 2HD ARG 91 -3.149 -8.424 0.641 737 HD3 ARG 91 1HD ARG 91 -3.015 -9.907 1.585 738 HE ARG 91 HE ARG 91 -5.662 -8.607 1.607 739 HH11 ARG 91 1HH2 ARG 91 -3.521 -10.989 0.316 740 HH12 ARG 91 2HH2 ARG 91 -4.796 -11.987 -0.298 741 HH21 ARG 91 1HH1 ARG 91 -7.330 -9.899 0.809 742 HH22 ARG 91 2HH1 ARG 91 -6.949 -11.371 -0.021 743 H ASN 92 H ASN 92 -6.040 -8.445 5.783 744 HA ASN 92 HA ASN 92 -7.081 -6.081 4.602 745 HB2 ASN 92 2HB ASN 92 -8.118 -7.791 6.877 746 HB3 ASN 92 1HB ASN 92 -9.046 -6.498 6.122 747 HD21 ASN 92 1HD2 ASN 92 -8.883 -6.734 3.499 748 HD22 ASN 92 2HD2 ASN 92 -9.227 -8.298 2.937 749 H ASP 93 H ASP 93 -5.896 -6.705 7.897 750 HA ASP 93 HA ASP 93 -6.725 -4.228 9.030 751 HB2 ASP 93 2HB ASP 93 -4.378 -6.026 9.701 752 HB3 ASP 93 1HB ASP 93 -4.932 -4.691 10.709 753 H LEU 94 H LEU 94 -3.735 -5.154 7.319 754 HA LEU 94 HA LEU 94 -2.280 -2.769 7.775 755 HB2 LEU 94 2HB LEU 94 -1.439 -4.893 6.681 756 HB3 LEU 94 1HB LEU 94 -2.233 -4.366 5.200 757 HG LEU 94 HG LEU 94 -0.268 -2.615 6.695 758 HD11 LEU 94 1HD1 LEU 94 1.404 -3.948 6.019 759 HD12 LEU 94 2HD1 LEU 94 0.937 -3.620 4.351 760 HD13 LEU 94 3HD1 LEU 94 0.271 -5.017 5.193 761 HD21 LEU 94 3HD2 LEU 94 -1.807 -2.440 4.174 762 HD22 LEU 94 1HD2 LEU 94 -0.105 -2.013 4.027 763 HD23 LEU 94 2HD2 LEU 94 -1.131 -1.157 5.175 764 H ILE 95 H ILE 95 -4.588 -3.536 5.147 765 HA ILE 95 HA ILE 95 -4.310 -1.021 3.807 766 HB ILE 95 HB ILE 95 -6.762 -2.792 3.940 767 HG12 ILE 95 2HG1 ILE 95 -4.492 -2.796 1.927 768 HG13 ILE 95 1HG1 ILE 95 -4.650 -3.967 3.236 769 HG21 ILE 95 1HG2 ILE 95 -7.680 -1.411 2.403 770 HG22 ILE 95 2HG2 ILE 95 -6.196 -1.386 1.449 771 HG23 ILE 95 3HG2 ILE 95 -6.398 -0.266 2.798 772 HD11 ILE 95 3HD1 ILE 95 -5.708 -4.317 0.742 773 HD12 ILE 95 1HD1 ILE 95 -7.082 -3.613 1.593 774 HD13 ILE 95 2HD1 ILE 95 -6.335 -5.092 2.196 775 H THR 96 H THR 96 -6.436 -2.126 6.412 776 HA THR 96 HA THR 96 -8.064 0.177 6.632 777 HB THR 96 HB THR 96 -7.106 -1.570 8.916 778 HG1 THR 96 1HG THR 96 -9.507 -1.999 7.572 779 HG21 THR 96 3HG2 THR 96 -8.800 -0.664 10.152 780 HG22 THR 96 1HG2 THR 96 -9.864 -0.494 8.757 781 HG23 THR 96 2HG2 THR 96 -8.592 0.693 9.046 782 H TYR 97 H TYR 97 -4.852 -0.534 8.015 783 HA TYR 97 HA TYR 97 -4.673 1.745 9.704 784 HB2 TYR 97 2HB TYR 97 -3.014 -0.114 9.692 785 HB3 TYR 97 1HB TYR 97 -2.430 0.445 8.124 786 HD1 TYR 97 1HD TYR 97 -2.795 1.366 11.704 787 HD2 TYR 97 2HD TYR 97 -0.990 2.348 7.931 788 HE1 TYR 97 1HE TYR 97 -1.323 3.009 12.836 789 HE2 TYR 97 2HE TYR 97 0.481 3.991 9.064 790 HH TYR 97 HH TYR 97 0.055 5.376 11.631 791 H LEU 98 H LEU 98 -3.666 1.351 6.287 792 HA LEU 98 HA LEU 98 -2.961 4.129 5.956 793 HB2 LEU 98 2HB LEU 98 -3.781 2.035 3.918 794 HB3 LEU 98 1HB LEU 98 -3.113 3.616 3.513 795 HG LEU 98 HG LEU 98 -1.722 1.510 5.194 796 HD11 LEU 98 1HD1 LEU 98 -1.945 1.901 2.338 797 HD12 LEU 98 2HD1 LEU 98 -1.101 0.625 3.216 798 HD13 LEU 98 3HD1 LEU 98 -0.275 2.141 2.852 799 HD21 LEU 98 3HD2 LEU 98 0.189 3.270 4.423 800 HD22 LEU 98 1HD2 LEU 98 -0.696 3.425 5.939 801 HD23 LEU 98 2HD2 LEU 98 -1.193 4.360 4.528 802 H LYS 99 H LYS 99 -5.916 2.266 5.639 803 HA LYS 99 HA LYS 99 -7.534 4.120 4.255 804 HB2 LYS 99 2HB LYS 99 -8.152 1.752 4.965 805 HB3 LYS 99 1HB LYS 99 -8.445 2.402 6.577 806 HG2 LYS 99 2HG LYS 99 -10.056 4.031 5.559 807 HG3 LYS 99 1HG LYS 99 -9.856 3.186 4.024 808 HD2 LYS 99 2HD LYS 99 -10.615 1.086 5.081 809 HD3 LYS 99 1HD LYS 99 -10.843 1.943 6.608 810 HE2 LYS 99 2HE LYS 99 -12.166 3.098 4.202 811 HE3 LYS 99 1HE LYS 99 -12.846 1.605 4.848 812 HZ1 LYS 99 3HZ LYS 99 -13.933 3.077 6.152 813 HZ2 LYS 99 1HZ LYS 99 -12.727 4.263 6.038 814 HZ3 LYS 99 2HZ LYS 99 -12.522 2.946 7.090 815 H LYS 100 H LYS 100 -6.783 3.858 7.723 816 HA LYS 100 HA LYS 100 -8.472 5.958 8.641 817 HB2 LYS 100 2HB LYS 100 -7.289 4.330 10.114 818 HB3 LYS 100 1HB LYS 100 -5.766 5.134 9.731 819 HG2 LYS 100 2HG LYS 100 -6.716 7.267 10.618 820 HG3 LYS 100 1HG LYS 100 -8.163 6.379 11.105 821 HD2 LYS 100 2HD LYS 100 -6.675 4.847 12.440 822 HD3 LYS 100 1HD LYS 100 -5.334 5.935 12.084 823 HE2 LYS 100 2HE LYS 100 -6.042 6.822 14.105 824 HE3 LYS 100 1HE LYS 100 -7.026 7.771 12.989 825 HZ1 LYS 100 3HZ LYS 100 -8.587 5.662 13.304 826 HZ2 LYS 100 1HZ LYS 100 -8.669 7.022 14.314 827 HZ3 LYS 100 2HZ LYS 100 -7.810 5.645 14.814 828 H ALA 101 H ALA 101 -5.154 5.981 7.404 829 HA ALA 101 HA ALA 101 -4.540 8.700 7.928 830 HB1 ALA 101 1HB ALA 101 -3.215 6.622 6.747 831 HB2 ALA 101 2HB ALA 101 -2.655 8.294 6.710 832 HB3 ALA 101 3HB ALA 101 -3.561 7.638 5.348 833 H THR 102 H THR 102 -6.491 7.237 5.387 834 HA THR 102 HA THR 102 -6.602 9.542 3.671 835 HB THR 102 HB THR 102 -8.492 8.447 2.620 836 HG1 THR 102 1HG THR 102 -9.809 7.676 4.081 837 HG21 THR 102 3HG2 THR 102 -7.554 6.081 2.426 838 HG22 THR 102 1HG2 THR 102 -6.349 6.565 3.620 839 HG23 THR 102 2HG2 THR 102 -6.428 7.389 2.062 840 H GLU 103 H GLU 103 -8.254 8.669 6.623 841 HA GLU 103 HA GLU 103 -10.204 10.869 6.275 842 HB2 GLU 103 2HB GLU 103 -10.940 8.657 7.195 843 HB3 GLU 103 1HB GLU 103 -9.892 8.933 8.588 844 HG2 GLU 103 2HG GLU 103 -11.130 11.048 9.055 845 HG3 GLU 103 1HG GLU 103 -12.223 10.671 7.725 846 HHA HEC 201 HA HEC 104 4.648 3.286 -5.931 847 HHB HEC 201 HB HEC 104 1.213 0.109 -1.685 848 HHC HEC 201 HC HEC 104 6.453 -1.141 1.614 849 HHD HEC 201 HD HEC 104 9.923 1.809 -2.787 850 HMA1 HEC 201 1HMA HEC 104 -0.008 1.799 -2.623 851 HMA2 HEC 201 2HMA HEC 104 -0.233 0.819 -4.070 852 HMA3 HEC 201 3HMA HEC 104 -0.143 2.575 -4.200 853 HAA1 HEC 201 1HAA HEC 104 2.454 1.925 -6.885 854 HAA2 HEC 201 2HAA HEC 104 0.911 2.436 -6.223 855 HBA1 HEC 201 1HBA HEC 104 2.986 4.048 -7.374 856 HBA2 HEC 201 2HBA HEC 104 2.746 4.529 -5.695 857 HMB1 HEC 201 1HMB HEC 104 1.804 -2.845 0.570 858 HMB2 HEC 201 2HMB HEC 104 0.851 -1.469 1.126 859 HMB3 HEC 201 3HMB HEC 104 0.999 -1.807 -0.595 860 HAB HEC 201 HAB HEC 104 4.565 -2.154 2.750 861 HBB1 HEC 201 1HBB HEC 104 2.099 -2.496 2.739 862 HBB2 HEC 201 2HBB HEC 104 1.877 -0.767 3.001 863 HBB3 HEC 201 3HBB HEC 104 2.650 -1.760 4.233 864 HMC1 HEC 201 1HMC HEC 104 8.928 -2.278 0.976 865 HMC2 HEC 201 2HMC HEC 104 8.798 -1.128 2.308 866 HMC3 HEC 201 3HMC HEC 104 10.285 -1.219 1.362 867 HAC HEC 201 HAC HEC 104 10.991 1.811 -0.840 868 HBC1 HEC 201 1HBC HEC 104 11.370 -1.030 -0.952 869 HBC2 HEC 201 2HBC HEC 104 12.516 0.244 -1.370 870 HBC3 HEC 201 3HBC HEC 104 12.436 -0.363 0.284 871 HMD1 HEC 201 1HMD HEC 104 10.383 3.574 -4.828 872 HMD2 HEC 201 2HMD HEC 104 9.698 3.119 -6.386 873 HMD3 HEC 201 3HMD HEC 104 10.203 1.870 -5.247 874 HAD1 HEC 201 1HAD HEC 104 8.067 4.889 -6.407 875 HAD2 HEC 201 2HAD HEC 104 6.327 4.932 -6.183 876 HBD1 HEC 201 1HBD HEC 104 7.908 3.308 -8.167 877 HBD2 HEC 201 2HBD HEC 104 6.238 2.909 -7.764 Start of MODEL 3 1 H1 THR -5 1HT THR -5 -19.550 -6.903 3.740 2 H2 THR -5 2HT THR -5 -19.817 -8.324 2.846 3 H3 THR -5 3HT THR -5 -20.953 -7.062 2.799 4 HA THR -5 HA THR -5 -19.729 -6.980 0.779 5 HB THR -5 HB THR -5 -19.330 -4.725 0.841 6 HG1 THR -5 1HG THR -5 -17.298 -5.268 2.035 7 HG21 THR -5 1HG2 THR -5 -21.273 -5.322 2.456 8 HG22 THR -5 2HG2 THR -5 -20.617 -3.686 2.513 9 HG23 THR -5 3HG2 THR -5 -20.149 -4.868 3.736 10 H GLU -4 H GLU -4 -17.449 -6.381 -0.114 11 HA GLU -4 HA GLU -4 -15.625 -8.455 0.601 12 HB2 GLU -4 2HB GLU -4 -15.145 -5.866 -0.906 13 HB3 GLU -4 1HB GLU -4 -14.003 -7.208 -0.833 14 HG2 GLU -4 2HG GLU -4 -15.726 -8.700 -1.821 15 HG3 GLU -4 1HG GLU -4 -16.819 -7.321 -1.953 16 H PHE -3 H PHE -3 -15.889 -5.086 1.632 17 HA PHE -3 HA PHE -3 -13.486 -5.460 3.358 18 HB2 PHE -3 2HB PHE -3 -13.562 -3.443 1.889 19 HB3 PHE -3 1HB PHE -3 -15.014 -2.914 2.739 20 HD1 PHE -3 2HD PHE -3 -11.389 -3.602 3.096 21 HD2 PHE -3 1HD PHE -3 -14.908 -1.993 4.961 22 HE1 PHE -3 2HE PHE -3 -9.986 -2.603 4.881 23 HE2 PHE -3 1HE PHE -3 -13.505 -0.993 6.746 24 HZ PHE -3 HZ PHE -3 -11.045 -1.299 6.706 25 H LYS -2 H LYS -2 -13.717 -5.568 5.556 26 HA LYS -2 HA LYS -2 -16.391 -4.902 6.713 27 HB2 LYS -2 2HB LYS -2 -16.247 -6.880 8.149 28 HB3 LYS -2 1HB LYS -2 -16.142 -7.371 6.459 29 HG2 LYS -2 2HG LYS -2 -13.664 -7.422 6.647 30 HG3 LYS -2 1HG LYS -2 -13.802 -7.003 8.356 31 HD2 LYS -2 2HD LYS -2 -13.556 -9.409 8.188 32 HD3 LYS -2 1HD LYS -2 -15.212 -9.056 8.682 33 HE2 LYS -2 2HE LYS -2 -16.102 -9.651 6.621 34 HE3 LYS -2 1HE LYS -2 -14.608 -9.294 5.756 35 HZ1 LYS -2 3HZ LYS -2 -15.418 -11.757 6.418 36 HZ2 LYS -2 1HZ LYS -2 -14.404 -11.397 7.729 37 HZ3 LYS -2 2HZ LYS -2 -13.798 -11.329 6.143 38 H ALA -1 H ALA -1 -16.235 -4.535 9.119 39 HA ALA -1 HA ALA -1 -14.464 -2.557 9.855 40 HB1 ALA -1 1HB ALA -1 -16.123 -2.946 11.446 41 HB2 ALA -1 2HB ALA -1 -14.704 -3.608 12.257 42 HB3 ALA -1 3HB ALA -1 -15.845 -4.687 11.455 43 H GLY 1 H GLY 1 -12.320 -2.794 9.236 44 HA2 GLY 1 2HA GLY 1 -10.793 -5.201 9.599 45 HA3 GLY 1 1HA GLY 1 -10.115 -3.603 9.289 46 H SER 2 H SER 2 -9.646 -5.914 11.362 47 HA SER 2 HA SER 2 -10.164 -4.795 13.951 48 HB2 SER 2 2HB SER 2 -8.612 -6.456 14.783 49 HB3 SER 2 1HB SER 2 -9.551 -7.195 13.488 50 HG SER 2 HG SER 2 -6.999 -5.983 13.177 51 H ALA 3 H ALA 3 -7.808 -4.088 11.521 52 HA ALA 3 HA ALA 3 -5.959 -2.637 11.513 53 HB1 ALA 3 1HB ALA 3 -6.320 -0.546 12.601 54 HB2 ALA 3 2HB ALA 3 -7.349 -1.280 13.831 55 HB3 ALA 3 3HB ALA 3 -7.927 -1.129 12.172 56 H LYS 4 H LYS 4 -5.230 -1.214 14.133 57 HA LYS 4 HA LYS 4 -3.647 -1.577 15.826 58 HB2 LYS 4 2HB LYS 4 -5.621 -2.804 16.775 59 HB3 LYS 4 1HB LYS 4 -5.001 -4.280 16.035 60 HG2 LYS 4 2HG LYS 4 -2.884 -4.005 17.305 61 HG3 LYS 4 1HG LYS 4 -3.557 -2.572 18.084 62 HD2 LYS 4 2HD LYS 4 -5.443 -3.989 18.936 63 HD3 LYS 4 1HD LYS 4 -4.620 -5.405 18.278 64 HE2 LYS 4 2HE LYS 4 -3.417 -3.498 20.307 65 HE3 LYS 4 1HE LYS 4 -4.126 -5.065 20.697 66 HZ1 LYS 4 3HZ LYS 4 -1.531 -4.583 19.957 67 HZ2 LYS 4 1HZ LYS 4 -2.239 -5.264 18.574 68 HZ3 LYS 4 2HZ LYS 4 -2.290 -6.100 20.052 69 H LYS 5 H LYS 5 -3.887 -4.981 14.813 70 HA LYS 5 HA LYS 5 -1.078 -5.370 14.734 71 HB2 LYS 5 2HB LYS 5 -3.273 -6.844 13.248 72 HB3 LYS 5 1HB LYS 5 -1.610 -7.412 13.396 73 HG2 LYS 5 2HG LYS 5 -1.853 -7.349 15.883 74 HG3 LYS 5 1HG LYS 5 -3.551 -6.913 15.672 75 HD2 LYS 5 2HD LYS 5 -3.880 -9.010 14.352 76 HD3 LYS 5 1HD LYS 5 -2.212 -9.458 14.709 77 HE2 LYS 5 2HE LYS 5 -3.633 -8.691 17.126 78 HE3 LYS 5 1HE LYS 5 -4.451 -10.013 16.294 79 HZ1 LYS 5 3HZ LYS 5 -1.777 -10.614 16.158 80 HZ2 LYS 5 1HZ LYS 5 -2.929 -11.344 17.167 81 HZ3 LYS 5 2HZ LYS 5 -2.004 -10.039 17.740 82 H GLY 6 H GLY 6 -3.348 -4.620 12.069 83 HA2 GLY 6 2HA GLY 6 -1.407 -4.656 9.985 84 HA3 GLY 6 1HA GLY 6 -2.912 -3.740 9.938 85 H ALA 7 H ALA 7 -2.274 -2.179 12.344 86 HA ALA 7 HA ALA 7 -0.961 0.030 11.116 87 HB1 ALA 7 1HB ALA 7 -2.501 0.028 13.172 88 HB2 ALA 7 2HB ALA 7 -1.107 1.106 13.231 89 HB3 ALA 7 3HB ALA 7 -1.074 -0.429 14.099 90 H THR 8 H THR 8 0.263 -2.387 13.437 91 HA THR 8 HA THR 8 2.931 -1.265 13.480 92 HB THR 8 HB THR 8 3.531 -3.293 14.687 93 HG1 THR 8 1HG THR 8 2.438 -4.785 13.403 94 HG21 THR 8 3HG2 THR 8 2.282 -1.651 15.970 95 HG22 THR 8 1HG2 THR 8 1.760 -3.265 16.451 96 HG23 THR 8 2HG2 THR 8 0.755 -2.298 15.371 97 H LEU 9 H LEU 9 1.298 -3.765 11.570 98 HA LEU 9 HA LEU 9 3.579 -4.914 10.331 99 HB2 LEU 9 2HB LEU 9 1.199 -5.721 10.073 100 HB3 LEU 9 1HB LEU 9 0.909 -4.353 9.000 101 HG LEU 9 HG LEU 9 3.078 -5.284 7.781 102 HD11 LEU 9 1HD1 LEU 9 1.883 -7.852 8.816 103 HD12 LEU 9 2HD1 LEU 9 3.226 -7.069 9.651 104 HD13 LEU 9 3HD1 LEU 9 3.420 -7.611 7.984 105 HD21 LEU 9 3HD2 LEU 9 0.760 -5.080 6.842 106 HD22 LEU 9 1HD2 LEU 9 0.389 -6.667 7.516 107 HD23 LEU 9 2HD2 LEU 9 1.619 -6.506 6.263 108 H PHE 10 H PHE 10 1.712 -2.014 9.584 109 HA PHE 10 HA PHE 10 3.082 -1.271 7.186 110 HB2 PHE 10 2HB PHE 10 0.930 -0.273 8.027 111 HB3 PHE 10 1HB PHE 10 1.851 0.550 9.280 112 HD1 PHE 10 2HD PHE 10 1.272 0.293 5.633 113 HD2 PHE 10 1HD PHE 10 3.221 2.461 8.787 114 HE1 PHE 10 2HE PHE 10 1.807 2.123 4.046 115 HE2 PHE 10 1HE PHE 10 3.748 4.289 7.199 116 HZ PHE 10 HZ PHE 10 3.051 4.116 4.831 117 H LYS 11 H LYS 11 3.572 -0.373 10.588 118 HA LYS 11 HA LYS 11 5.853 1.295 10.192 119 HB2 LYS 11 2HB LYS 11 4.425 1.085 12.296 120 HB3 LYS 11 1HB LYS 11 5.297 -0.411 12.629 121 HG2 LYS 11 2HG LYS 11 7.441 0.832 12.562 122 HG3 LYS 11 1HG LYS 11 6.550 2.331 12.290 123 HD2 LYS 11 2HD LYS 11 5.316 1.912 14.438 124 HD3 LYS 11 1HD LYS 11 6.384 0.537 14.728 125 HE2 LYS 11 2HE LYS 11 8.302 1.920 14.904 126 HE3 LYS 11 1HE LYS 11 7.478 3.295 14.173 127 HZ1 LYS 11 3HZ LYS 11 5.900 2.866 16.247 128 HZ2 LYS 11 1HZ LYS 11 7.251 3.889 16.322 129 HZ3 LYS 11 2HZ LYS 11 7.360 2.295 16.904 130 H THR 12 H THR 12 5.525 -2.184 10.744 131 HA THR 12 HA THR 12 8.328 -2.701 11.084 132 HB THR 12 HB THR 12 7.732 -5.044 10.813 133 HG1 THR 12 1HG THR 12 5.169 -4.136 10.033 134 HG21 THR 12 3HG2 THR 12 6.349 -3.199 12.553 135 HG22 THR 12 1HG2 THR 12 6.908 -4.837 12.893 136 HG23 THR 12 2HG2 THR 12 5.314 -4.578 12.185 137 H ARG 13 H ARG 13 6.273 -2.604 8.171 138 HA ARG 13 HA ARG 13 8.760 -2.615 6.575 139 HB2 ARG 13 2HB ARG 13 6.559 -4.663 6.215 140 HB3 ARG 13 1HB ARG 13 7.857 -4.389 5.056 141 HG2 ARG 13 2HG ARG 13 9.508 -4.868 6.891 142 HG3 ARG 13 1HG ARG 13 8.151 -5.311 7.928 143 HD2 ARG 13 2HD ARG 13 7.464 -6.990 6.176 144 HD3 ARG 13 1HD ARG 13 8.974 -6.640 5.334 145 HE ARG 13 HE ARG 13 8.701 -8.250 7.736 146 HH11 ARG 13 1HH2 ARG 13 10.698 -6.076 5.953 147 HH12 ARG 13 2HH2 ARG 13 12.178 -6.685 6.612 148 HH21 ARG 13 1HH1 ARG 13 10.624 -9.055 8.608 149 HH22 ARG 13 2HH1 ARG 13 12.137 -8.371 8.116 150 H CYS 14 H CYS 14 7.401 -0.344 6.698 151 HA CYS 14 HA CYS 14 6.474 0.041 4.000 152 HB2 CYS 14 2HB CYS 14 4.498 -1.097 5.318 153 HB3 CYS 14 1HB CYS 14 4.269 0.525 5.967 154 H LEU 15 H LEU 15 6.073 1.374 7.295 155 HA LEU 15 HA LEU 15 5.905 4.095 6.536 156 HB2 LEU 15 2HB LEU 15 5.480 3.237 8.839 157 HB3 LEU 15 1HB LEU 15 7.210 2.974 9.034 158 HG LEU 15 HG LEU 15 7.455 5.486 8.423 159 HD11 LEU 15 1HD1 LEU 15 5.235 5.966 7.631 160 HD12 LEU 15 2HD1 LEU 15 5.419 6.797 9.173 161 HD13 LEU 15 3HD1 LEU 15 4.509 5.290 9.090 162 HD21 LEU 15 3HD2 LEU 15 6.410 5.922 10.916 163 HD22 LEU 15 1HD2 LEU 15 8.006 5.232 10.615 164 HD23 LEU 15 2HD2 LEU 15 6.630 4.172 10.932 165 H GLN 16 H GLN 16 8.752 2.046 7.050 166 HA GLN 16 HA GLN 16 10.729 4.077 6.969 167 HB2 GLN 16 2HB GLN 16 10.845 1.226 5.940 168 HB3 GLN 16 1HB GLN 16 12.251 2.269 6.163 169 HG2 GLN 16 2HG GLN 16 11.740 2.476 8.558 170 HG3 GLN 16 1HG GLN 16 10.308 1.469 8.348 171 HE21 GLN 16 1HE2 GLN 16 12.401 0.665 10.117 172 HE22 GLN 16 2HE2 GLN 16 13.160 -0.707 9.468 173 H CYS 17 H CYS 17 9.002 2.437 4.344 174 HA CYS 17 HA CYS 17 10.586 3.946 2.342 175 HB2 CYS 17 2HB CYS 17 8.447 1.822 2.055 176 HB3 CYS 17 1HB CYS 17 9.259 2.604 0.699 177 H HIS 18 H HIS 18 7.206 3.624 3.437 178 HA HIS 18 HA HIS 18 6.533 6.010 1.771 179 HB2 HIS 18 2HB HIS 18 4.840 3.798 2.960 180 HB3 HIS 18 1HB HIS 18 4.146 5.255 2.242 181 HD1 HIS 18 1HD HIS 18 4.944 5.693 -0.359 182 HD2 HIS 18 2HD HIS 18 5.444 1.842 1.141 183 HE1 HIS 18 1HE HIS 18 5.200 4.166 -2.375 184 H THR 19 H THR 19 6.206 7.909 2.807 185 HA THR 19 HA THR 19 6.126 7.954 5.754 186 HB THR 19 HB THR 19 6.359 10.366 5.521 187 HG1 THR 19 1HG THR 19 5.633 9.761 2.881 188 HG21 THR 19 3HG2 THR 19 8.509 10.414 4.582 189 HG22 THR 19 1HG2 THR 19 8.092 9.235 3.336 190 HG23 THR 19 2HG2 THR 19 8.306 8.714 5.008 191 H VAL 20 H VAL 20 3.956 8.329 3.045 192 HA VAL 20 HA VAL 20 1.623 8.568 2.984 193 HB VAL 20 HB VAL 20 1.553 8.240 5.974 194 HG11 VAL 20 1HG1 VAL 20 -0.454 8.565 4.276 195 HG12 VAL 20 2HG1 VAL 20 -0.582 7.404 5.597 196 HG13 VAL 20 3HG1 VAL 20 -0.189 6.848 3.971 197 HG21 VAL 20 3HG2 VAL 20 1.431 5.689 5.189 198 HG22 VAL 20 1HG2 VAL 20 2.969 6.455 5.590 199 HG23 VAL 20 2HG2 VAL 20 2.478 6.293 3.905 200 H GLU 21 H GLU 21 3.670 10.681 4.518 201 HA GLU 21 HA GLU 21 1.506 12.501 5.426 202 HB2 GLU 21 2HB GLU 21 4.526 12.761 5.580 203 HB3 GLU 21 1HB GLU 21 3.375 13.915 6.254 204 HG2 GLU 21 2HG GLU 21 2.420 12.103 7.665 205 HG3 GLU 21 1HG GLU 21 3.643 10.998 7.035 206 H LYS 22 H LYS 22 0.685 13.921 3.981 207 HA LYS 22 HA LYS 22 1.873 14.342 1.386 208 HB2 LYS 22 2HB LYS 22 0.059 15.899 1.009 209 HB3 LYS 22 1HB LYS 22 -0.588 14.523 1.903 210 HG2 LYS 22 2HG LYS 22 -0.263 15.825 4.025 211 HG3 LYS 22 1HG LYS 22 0.201 17.218 3.046 212 HD2 LYS 22 2HD LYS 22 -2.022 16.940 1.827 213 HD3 LYS 22 1HD LYS 22 -2.474 15.811 3.104 214 HE2 LYS 22 2HE LYS 22 -3.315 17.944 3.786 215 HE3 LYS 22 1HE LYS 22 -1.878 17.650 4.767 216 HZ1 LYS 22 3HZ LYS 22 -2.288 19.555 2.592 217 HZ2 LYS 22 1HZ LYS 22 -0.749 18.859 2.735 218 HZ3 LYS 22 2HZ LYS 22 -1.411 19.727 4.035 219 H GLY 23 H GLY 23 1.781 16.246 4.384 220 HA2 GLY 23 2HA GLY 23 2.983 18.614 3.372 221 HA3 GLY 23 1HA GLY 23 3.082 18.083 5.050 222 H GLY 24 H GLY 24 4.405 15.584 4.514 223 HA2 GLY 24 2HA GLY 24 7.136 16.578 4.307 224 HA3 GLY 24 1HA GLY 24 6.667 14.900 4.578 225 HA PRO 25 HA PRO 25 7.762 15.785 -0.001 226 HB2 PRO 25 2HB PRO 25 10.401 15.129 -0.061 227 HB3 PRO 25 1HB PRO 25 9.835 16.777 0.278 228 HG2 PRO 25 2HG PRO 25 10.756 14.667 2.170 229 HG3 PRO 25 1HG PRO 25 11.091 16.405 2.169 230 HD2 PRO 25 2HD PRO 25 9.212 15.259 3.796 231 HD3 PRO 25 1HD PRO 25 9.094 16.932 3.210 232 H HIS 26 H HIS 26 9.542 13.942 -1.179 233 HA HIS 26 HA HIS 26 8.215 11.369 -0.458 234 HB2 HIS 26 2HB HIS 26 9.626 12.220 -3.007 235 HB3 HIS 26 1HB HIS 26 8.887 10.641 -2.739 236 HD1 HIS 26 1HD HIS 26 6.264 10.566 -2.545 237 HD2 HIS 26 2HD HIS 26 7.804 14.308 -3.562 238 HE1 HIS 26 1HE HIS 26 4.307 11.944 -3.383 239 HE2 HIS 26 2HE HIS 26 5.234 14.225 -3.995 240 H LYS 27 H LYS 27 9.461 9.675 0.270 241 HA LYS 27 HA LYS 27 12.386 10.196 0.521 242 HB2 LYS 27 2HB LYS 27 10.895 9.606 2.541 243 HB3 LYS 27 1HB LYS 27 10.839 7.976 1.870 244 HG2 LYS 27 2HG LYS 27 13.328 7.903 1.899 245 HG3 LYS 27 1HG LYS 27 13.345 9.504 2.637 246 HD2 LYS 27 2HD LYS 27 11.963 8.588 4.520 247 HD3 LYS 27 1HD LYS 27 12.141 6.983 3.811 248 HE2 LYS 27 2HE LYS 27 14.738 7.784 3.850 249 HE3 LYS 27 1HE LYS 27 14.123 8.633 5.268 250 HZ1 LYS 27 3HZ LYS 27 14.718 5.900 4.983 251 HZ2 LYS 27 1HZ LYS 27 13.061 6.062 5.307 252 HZ3 LYS 27 2HZ LYS 27 14.203 6.734 6.370 253 H VAL 28 H VAL 28 12.090 6.999 0.999 254 HA VAL 28 HA VAL 28 13.383 6.269 -1.445 255 HB VAL 28 HB VAL 28 11.928 4.575 0.609 256 HG11 VAL 28 1HG1 VAL 28 13.584 3.853 -1.810 257 HG12 VAL 28 2HG1 VAL 28 11.998 3.237 -1.346 258 HG13 VAL 28 3HG1 VAL 28 13.431 2.757 -0.438 259 HG21 VAL 28 3HG2 VAL 28 14.837 4.369 0.376 260 HG22 VAL 28 1HG2 VAL 28 13.846 4.653 1.807 261 HG23 VAL 28 2HG2 VAL 28 14.313 6.005 0.776 262 H GLY 29 H GLY 29 10.001 6.078 -0.387 263 HA2 GLY 29 2HA GLY 29 9.255 5.487 -3.226 264 HA3 GLY 29 1HA GLY 29 8.416 4.732 -1.869 265 HA PRO 30 HA PRO 30 6.560 8.955 -3.197 266 HB2 PRO 30 2HB PRO 30 4.161 7.890 -4.086 267 HB3 PRO 30 1HB PRO 30 5.535 8.291 -5.134 268 HG2 PRO 30 2HG PRO 30 4.698 5.655 -4.041 269 HG3 PRO 30 1HG PRO 30 5.350 6.065 -5.637 270 HD2 PRO 30 2HD PRO 30 6.888 4.917 -3.722 271 HD3 PRO 30 1HD PRO 30 7.552 6.085 -4.888 272 H ASN 31 H ASN 31 4.941 10.021 -1.927 273 HA ASN 31 HA ASN 31 4.247 8.625 0.558 274 HB2 ASN 31 2HB ASN 31 3.395 11.398 -0.309 275 HB3 ASN 31 1HB ASN 31 3.481 10.766 1.336 276 HD21 ASN 31 1HD2 ASN 31 6.043 9.476 1.201 277 HD22 ASN 31 2HD2 ASN 31 7.229 10.673 0.994 278 H LEU 32 H LEU 32 2.165 7.992 1.175 279 HA LEU 32 HA LEU 32 0.150 7.970 -1.017 280 HB2 LEU 32 2HB LEU 32 0.322 6.382 1.564 281 HB3 LEU 32 1HB LEU 32 -0.998 6.257 0.403 282 HG LEU 32 HG LEU 32 0.730 5.701 -1.363 283 HD11 LEU 32 1HD1 LEU 32 2.776 4.609 0.138 284 HD12 LEU 32 2HD1 LEU 32 2.474 6.136 0.962 285 HD13 LEU 32 3HD1 LEU 32 2.871 6.125 -0.755 286 HD21 LEU 32 3HD2 LEU 32 -0.577 3.906 -0.478 287 HD22 LEU 32 1HD2 LEU 32 0.307 3.922 1.048 288 HD23 LEU 32 2HD2 LEU 32 1.096 3.352 -0.423 289 H HIS 33 H HIS 33 -1.795 9.018 -0.804 290 HA HIS 33 HA HIS 33 -2.933 9.824 1.715 291 HB2 HIS 33 2HB HIS 33 -1.124 11.468 1.719 292 HB3 HIS 33 1HB HIS 33 -1.540 11.969 0.079 293 HD1 HIS 33 1HD HIS 33 -4.214 12.782 -0.114 294 HD2 HIS 33 2HD HIS 33 -2.370 13.033 3.619 295 HE1 HIS 33 1HE HIS 33 -5.602 14.393 1.266 296 HE2 HIS 33 2HE HIS 33 -4.488 14.553 3.539 297 H GLY 34 H GLY 34 -4.881 9.090 0.865 298 HA2 GLY 34 2HA GLY 34 -6.962 9.561 -0.199 299 HA3 GLY 34 1HA GLY 34 -6.175 10.857 -1.103 300 H ILE 35 H ILE 35 -4.295 8.084 -1.166 301 HA ILE 35 HA ILE 35 -4.511 7.715 -3.972 302 HB ILE 35 HB ILE 35 -2.640 6.929 -2.403 303 HG12 ILE 35 2HG1 ILE 35 -3.657 4.796 -4.296 304 HG13 ILE 35 1HG1 ILE 35 -2.958 6.311 -4.871 305 HG21 ILE 35 1HG2 ILE 35 -4.306 5.711 -0.903 306 HG22 ILE 35 2HG2 ILE 35 -2.868 4.793 -1.351 307 HG23 ILE 35 3HG2 ILE 35 -4.400 4.484 -2.166 308 HD11 ILE 35 3HD1 ILE 35 -0.865 5.841 -3.744 309 HD12 ILE 35 1HD1 ILE 35 -1.297 4.432 -4.713 310 HD13 ILE 35 2HD1 ILE 35 -1.555 4.416 -2.968 311 H PHE 36 H PHE 36 -6.455 6.502 -1.353 312 HA PHE 36 HA PHE 36 -7.566 4.207 -2.640 313 HB2 PHE 36 2HB PHE 36 -8.674 6.091 -0.544 314 HB3 PHE 36 1HB PHE 36 -9.499 4.622 -1.054 315 HD1 PHE 36 2HD PHE 36 -8.554 2.407 -0.589 316 HD2 PHE 36 1HD PHE 36 -6.616 5.996 0.769 317 HE1 PHE 36 2HE PHE 36 -7.147 1.065 0.948 318 HE2 PHE 36 1HE PHE 36 -5.211 4.648 2.310 319 HZ PHE 36 HZ PHE 36 -5.477 2.185 2.395 320 H GLY 37 H GLY 37 -9.168 4.037 -4.181 321 HA2 GLY 37 2HA GLY 37 -10.721 4.721 -5.807 322 HA3 GLY 37 1HA GLY 37 -11.130 6.053 -4.722 323 H ARG 38 H ARG 38 -7.862 5.514 -5.868 324 HA ARG 38 HA ARG 38 -8.147 7.829 -7.726 325 HB2 ARG 38 2HB ARG 38 -7.216 8.519 -5.477 326 HB3 ARG 38 1HB ARG 38 -5.836 7.474 -5.807 327 HG2 ARG 38 2HG ARG 38 -5.379 8.749 -7.883 328 HG3 ARG 38 1HG ARG 38 -6.733 9.817 -7.509 329 HD2 ARG 38 2HD ARG 38 -5.605 10.351 -5.318 330 HD3 ARG 38 1HD ARG 38 -4.203 9.443 -5.885 331 HE ARG 38 HE ARG 38 -4.697 11.274 -7.915 332 HH11 ARG 38 1HH2 ARG 38 -4.173 11.350 -4.509 333 HH12 ARG 38 2HH2 ARG 38 -3.436 12.917 -4.522 334 HH21 ARG 38 1HH1 ARG 38 -3.742 13.324 -7.952 335 HH22 ARG 38 2HH1 ARG 38 -3.190 14.034 -6.472 336 H HIS 39 H HIS 39 -6.527 7.873 -9.419 337 HA HIS 39 HA HIS 39 -5.503 5.167 -10.048 338 HB2 HIS 39 2HB HIS 39 -5.709 7.688 -11.722 339 HB3 HIS 39 1HB HIS 39 -5.082 6.146 -12.309 340 HD1 HIS 39 1HD HIS 39 -8.255 7.884 -11.345 341 HD2 HIS 39 2HD HIS 39 -7.066 4.096 -12.624 342 HE1 HIS 39 1HE HIS 39 -10.373 6.636 -11.962 343 HE2 HIS 39 2HE HIS 39 -9.660 4.330 -12.742 344 H SER 40 H SER 40 -3.296 4.770 -10.435 345 HA SER 40 HA SER 40 -1.428 6.356 -8.928 346 HB2 SER 40 2HB SER 40 0.228 4.791 -9.657 347 HB3 SER 40 1HB SER 40 -1.258 3.869 -9.458 348 HG SER 40 HG SER 40 -0.485 5.039 -11.917 349 H GLY 41 H GLY 41 0.564 7.332 -9.878 350 HA2 GLY 41 2HA GLY 41 1.729 8.416 -11.688 351 HA3 GLY 41 1HA GLY 41 0.263 8.303 -12.659 352 H GLN 42 H GLN 42 -1.005 9.279 -9.887 353 HA GLN 42 HA GLN 42 -0.835 12.133 -10.678 354 HB2 GLN 42 2HB GLN 42 -2.760 10.619 -8.904 355 HB3 GLN 42 1HB GLN 42 -2.787 12.374 -9.085 356 HG2 GLN 42 2HG GLN 42 -3.112 12.160 -11.494 357 HG3 GLN 42 1HG GLN 42 -2.998 10.403 -11.376 358 HE21 GLN 42 1HE2 GLN 42 -5.352 11.666 -12.416 359 HE22 GLN 42 2HE2 GLN 42 -6.627 11.400 -11.329 360 H ALA 43 H ALA 43 0.932 10.257 -8.700 361 HA ALA 43 HA ALA 43 0.865 11.564 -6.173 362 HB1 ALA 43 1HB ALA 43 3.291 10.859 -6.006 363 HB2 ALA 43 2HB ALA 43 3.176 10.293 -7.673 364 HB3 ALA 43 3HB ALA 43 2.184 9.549 -6.418 365 H GLU 44 H GLU 44 2.250 12.467 -9.257 366 HA GLU 44 HA GLU 44 3.545 14.348 -9.875 367 HB2 GLU 44 2HB GLU 44 1.316 15.492 -8.167 368 HB3 GLU 44 1HB GLU 44 2.339 16.456 -9.235 369 HG2 GLU 44 2HG GLU 44 1.620 15.045 -11.152 370 HG3 GLU 44 1HG GLU 44 0.548 14.156 -10.070 371 H GLY 45 H GLY 45 5.546 14.096 -8.847 372 HA2 GLY 45 2HA GLY 45 6.769 15.905 -7.336 373 HA3 GLY 45 1HA GLY 45 5.835 15.104 -6.071 374 H TYR 46 H TYR 46 6.063 12.495 -7.535 375 HA TYR 46 HA TYR 46 8.950 11.918 -6.989 376 HB2 TYR 46 2HB TYR 46 7.418 11.093 -5.170 377 HB3 TYR 46 1HB TYR 46 6.619 10.080 -6.372 378 HD1 TYR 46 1HD TYR 46 9.930 10.799 -4.810 379 HD2 TYR 46 2HD TYR 46 7.534 7.989 -7.003 380 HE1 TYR 46 1HE TYR 46 11.688 9.074 -4.521 381 HE2 TYR 46 2HE TYR 46 9.295 6.265 -6.718 382 HH TYR 46 HH TYR 46 11.196 5.852 -4.981 383 H SER 47 H SER 47 9.928 10.491 -8.459 384 HA SER 47 HA SER 47 8.772 10.320 -11.074 385 HB2 SER 47 2HB SER 47 10.724 9.084 -11.681 386 HB3 SER 47 1HB SER 47 11.249 10.236 -10.458 387 HG SER 47 HG SER 47 10.677 8.371 -8.969 388 H TYR 48 H TYR 48 8.188 8.343 -12.233 389 HA TYR 48 HA TYR 48 6.995 6.274 -10.427 390 HB2 TYR 48 2HB TYR 48 5.996 7.602 -12.916 391 HB3 TYR 48 1HB TYR 48 5.536 5.927 -12.619 392 HD1 TYR 48 1HD TYR 48 4.260 5.312 -10.588 393 HD2 TYR 48 2HD TYR 48 5.141 9.404 -11.551 394 HE1 TYR 48 1HE TYR 48 2.526 6.062 -8.983 395 HE2 TYR 48 2HE TYR 48 3.407 10.154 -9.944 396 HH TYR 48 HH TYR 48 1.700 7.841 -7.874 397 H THR 49 H THR 49 7.475 4.140 -10.874 398 HA THR 49 HA THR 49 9.687 3.606 -12.689 399 HB THR 49 HB THR 49 7.900 1.628 -11.241 400 HG1 THR 49 1HG THR 49 10.090 3.185 -10.464 401 HG21 THR 49 3HG2 THR 49 10.622 0.808 -11.561 402 HG22 THR 49 1HG2 THR 49 10.010 1.328 -13.132 403 HG23 THR 49 2HG2 THR 49 9.170 0.065 -12.233 404 H ASP 50 H ASP 50 9.584 2.484 -14.668 405 HA ASP 50 HA ASP 50 7.415 2.927 -16.369 406 HB2 ASP 50 2HB ASP 50 9.481 0.728 -16.436 407 HB3 ASP 50 1HB ASP 50 8.365 1.052 -17.760 408 H ALA 51 H ALA 51 7.982 0.186 -14.206 409 HA ALA 51 HA ALA 51 6.102 -1.655 -15.086 410 HB1 ALA 51 1HB ALA 51 6.066 -2.533 -12.898 411 HB2 ALA 51 2HB ALA 51 6.269 -0.942 -12.163 412 HB3 ALA 51 3HB ALA 51 7.624 -1.712 -12.988 413 H ASN 52 H ASN 52 5.257 0.646 -12.468 414 HA ASN 52 HA ASN 52 2.463 0.299 -12.711 415 HB2 ASN 52 2HB ASN 52 3.588 1.438 -10.803 416 HB3 ASN 52 1HB ASN 52 3.898 2.825 -11.847 417 HD21 ASN 52 1HD2 ASN 52 1.232 0.907 -10.379 418 HD22 ASN 52 2HD2 ASN 52 0.076 2.145 -10.503 419 H ILE 53 H ILE 53 4.564 2.683 -14.368 420 HA ILE 53 HA ILE 53 2.474 4.141 -15.615 421 HB ILE 53 HB ILE 53 5.248 3.558 -16.669 422 HG12 ILE 53 2HG1 ILE 53 5.372 4.521 -14.438 423 HG13 ILE 53 1HG1 ILE 53 5.773 5.766 -15.611 424 HG21 ILE 53 1HG2 ILE 53 3.870 4.475 -18.408 425 HG22 ILE 53 2HG2 ILE 53 4.882 5.785 -17.797 426 HG23 ILE 53 3HG2 ILE 53 3.190 5.674 -17.310 427 HD11 ILE 53 3HD1 ILE 53 4.272 6.908 -14.247 428 HD12 ILE 53 1HD1 ILE 53 3.296 5.469 -13.948 429 HD13 ILE 53 2HD1 ILE 53 3.195 6.298 -15.502 430 H LYS 54 H LYS 54 4.343 1.347 -16.861 431 HA LYS 54 HA LYS 54 2.932 1.138 -19.329 432 HB2 LYS 54 2HB LYS 54 4.304 -0.989 -17.658 433 HB3 LYS 54 1HB LYS 54 3.708 -1.256 -19.297 434 HG2 LYS 54 2HG LYS 54 5.147 0.619 -20.090 435 HG3 LYS 54 1HG LYS 54 5.802 0.771 -18.461 436 HD2 LYS 54 2HD LYS 54 6.549 -1.609 -18.580 437 HD3 LYS 54 1HD LYS 54 5.990 -1.667 -20.252 438 HE2 LYS 54 2HE LYS 54 7.634 0.665 -19.895 439 HE3 LYS 54 1HE LYS 54 8.503 -0.750 -19.299 440 HZ1 LYS 54 3HZ LYS 54 9.001 -0.970 -21.470 441 HZ2 LYS 54 1HZ LYS 54 7.646 -0.095 -21.998 442 HZ3 LYS 54 2HZ LYS 54 7.480 -1.725 -21.542 443 H LYS 55 H LYS 55 2.208 -0.039 -16.092 444 HA LYS 55 HA LYS 55 -0.469 -0.914 -17.101 445 HB2 LYS 55 2HB LYS 55 0.920 -2.876 -16.501 446 HB3 LYS 55 1HB LYS 55 1.173 -2.199 -14.893 447 HG2 LYS 55 2HG LYS 55 -1.264 -2.259 -14.486 448 HG3 LYS 55 1HG LYS 55 -1.510 -2.964 -16.086 449 HD2 LYS 55 2HD LYS 55 -0.014 -4.864 -15.408 450 HD3 LYS 55 1HD LYS 55 0.033 -4.186 -13.780 451 HE2 LYS 55 2HE LYS 55 -2.702 -4.330 -14.662 452 HE3 LYS 55 1HE LYS 55 -1.938 -5.905 -14.877 453 HZ1 LYS 55 3HZ LYS 55 -1.231 -5.879 -12.601 454 HZ2 LYS 55 1HZ LYS 55 -2.901 -5.595 -12.652 455 HZ3 LYS 55 2HZ LYS 55 -1.829 -4.305 -12.379 456 H ASN 56 H ASN 56 -1.895 0.570 -16.311 457 HA ASN 56 HA ASN 56 -1.337 1.786 -13.656 458 HB2 ASN 56 2HB ASN 56 -1.929 3.152 -15.795 459 HB3 ASN 56 1HB ASN 56 -3.582 2.622 -15.479 460 HD21 ASN 56 1HD2 ASN 56 -2.285 2.661 -12.471 461 HD22 ASN 56 2HD2 ASN 56 -2.618 4.258 -12.008 462 H VAL 57 H VAL 57 -2.688 1.438 -11.929 463 HA VAL 57 HA VAL 57 -5.136 -0.208 -12.403 464 HB VAL 57 HB VAL 57 -3.264 -1.633 -11.594 465 HG11 VAL 57 1HG1 VAL 57 -2.417 0.502 -10.225 466 HG12 VAL 57 2HG1 VAL 57 -2.040 -1.138 -9.700 467 HG13 VAL 57 3HG1 VAL 57 -3.366 -0.253 -8.945 468 HG21 VAL 57 3HG2 VAL 57 -5.546 -2.236 -10.963 469 HG22 VAL 57 1HG2 VAL 57 -5.500 -1.111 -9.605 470 HG23 VAL 57 2HG2 VAL 57 -4.472 -2.543 -9.598 471 H LEU 58 H LEU 58 -6.852 0.213 -10.955 472 HA LEU 58 HA LEU 58 -6.795 2.856 -9.704 473 HB2 LEU 58 2HB LEU 58 -8.833 2.043 -10.835 474 HB3 LEU 58 1HB LEU 58 -8.931 0.697 -9.701 475 HG LEU 58 HG LEU 58 -9.128 2.334 -7.826 476 HD11 LEU 58 1HD1 LEU 58 -8.617 4.189 -10.065 477 HD12 LEU 58 2HD1 LEU 58 -8.300 4.387 -8.341 478 HD13 LEU 58 3HD1 LEU 58 -9.918 4.682 -8.979 479 HD21 LEU 58 3HD2 LEU 58 -11.390 3.370 -8.983 480 HD22 LEU 58 1HD2 LEU 58 -11.277 1.755 -8.282 481 HD23 LEU 58 2HD2 LEU 58 -11.066 1.980 -10.019 482 H TRP 59 H TRP 59 -6.492 3.264 -7.536 483 HA TRP 59 HA TRP 59 -5.853 0.920 -5.843 484 HB2 TRP 59 2HB TRP 59 -5.368 3.886 -5.513 485 HB3 TRP 59 1HB TRP 59 -5.024 2.710 -4.242 486 HD1 TRP 59 HD TRP 59 -3.564 4.221 -7.280 487 HE1 TRP 59 1HE TRP 59 -1.409 2.976 -7.965 488 HE3 TRP 59 3HE TRP 59 -3.933 0.116 -4.280 489 HZ2 TRP 59 2HZ TRP 59 -0.031 0.553 -7.324 490 HZ3 TRP 59 3HZ TRP 59 -2.189 -1.637 -4.328 491 HH2 TRP 59 HH TRP 59 -0.237 -1.426 -5.846 492 H ASP 60 H ASP 60 -7.250 0.175 -4.415 493 HA ASP 60 HA ASP 60 -9.095 1.934 -2.972 494 HB2 ASP 60 2HB ASP 60 -11.105 0.608 -3.627 495 HB3 ASP 60 1HB ASP 60 -10.404 1.481 -4.990 496 H GLU 61 H GLU 61 -10.612 0.182 -1.622 497 HA GLU 61 HA GLU 61 -8.793 -1.097 0.150 498 HB2 GLU 61 2HB GLU 61 -11.750 -1.602 -0.280 499 HB3 GLU 61 1HB GLU 61 -10.820 -2.188 1.100 500 HG2 GLU 61 2HG GLU 61 -10.227 0.156 1.670 501 HG3 GLU 61 1HG GLU 61 -11.225 0.716 0.328 502 H ASN 62 H ASN 62 -10.689 -2.468 -2.551 503 HA ASN 62 HA ASN 62 -9.868 -5.189 -1.967 504 HB2 ASN 62 2HB ASN 62 -11.218 -5.786 -3.723 505 HB3 ASN 62 1HB ASN 62 -11.869 -4.173 -3.438 506 HD21 ASN 62 1HD2 ASN 62 -10.671 -6.146 -5.878 507 HD22 ASN 62 2HD2 ASN 62 -10.197 -4.946 -6.979 508 H ASN 63 H ASN 63 -8.848 -2.802 -4.422 509 HA ASN 63 HA ASN 63 -6.943 -4.432 -5.727 510 HB2 ASN 63 2HB ASN 63 -7.760 -2.164 -6.477 511 HB3 ASN 63 1HB ASN 63 -6.674 -1.453 -5.281 512 HD21 ASN 63 1HD2 ASN 63 -5.343 -0.483 -6.995 513 HD22 ASN 63 2HD2 ASN 63 -4.308 -1.440 -7.940 514 H MET 64 H MET 64 -6.535 -2.334 -2.874 515 HA MET 64 HA MET 64 -3.715 -2.705 -2.642 516 HB2 MET 64 2HB MET 64 -5.824 -2.093 -0.560 517 HB3 MET 64 1HB MET 64 -4.094 -2.109 -0.211 518 HG2 MET 64 2HG MET 64 -3.765 -0.443 -2.051 519 HG3 MET 64 1HG MET 64 -5.515 -0.356 -2.232 520 HE1 MET 64 3HE MET 64 -4.364 1.841 -2.237 521 HE2 MET 64 1HE MET 64 -3.774 2.737 -0.828 522 HE3 MET 64 2HE MET 64 -5.495 2.716 -1.205 523 H SER 65 H SER 65 -6.444 -4.615 -1.402 524 HA SER 65 HA SER 65 -4.880 -6.376 0.225 525 HB2 SER 65 2HB SER 65 -6.792 -7.857 0.165 526 HB3 SER 65 1HB SER 65 -7.400 -6.206 0.226 527 HG SER 65 HG SER 65 -7.129 -6.640 -2.282 528 H GLU 66 H GLU 66 -5.787 -6.505 -3.216 529 HA GLU 66 HA GLU 66 -4.548 -9.066 -3.705 530 HB2 GLU 66 2HB GLU 66 -5.245 -6.781 -5.574 531 HB3 GLU 66 1HB GLU 66 -4.726 -8.379 -6.103 532 HG2 GLU 66 2HG GLU 66 -7.158 -7.831 -4.380 533 HG3 GLU 66 1HG GLU 66 -7.199 -8.160 -6.112 534 H HIS 67 H HIS 67 -3.457 -5.719 -3.822 535 HA HIS 67 HA HIS 67 -1.000 -6.064 -5.184 536 HB2 HIS 67 2HB HIS 67 -2.067 -3.885 -4.506 537 HB3 HIS 67 1HB HIS 67 -1.524 -4.193 -2.858 538 HD1 HIS 67 1HD HIS 67 0.069 -4.137 -6.331 539 HD2 HIS 67 2HD HIS 67 0.945 -3.051 -2.406 540 HE1 HIS 67 1HE HIS 67 2.359 -3.057 -6.383 541 HE2 HIS 67 2HE HIS 67 2.907 -2.402 -3.994 542 H LEU 68 H LEU 68 -1.761 -6.371 -1.729 543 HA LEU 68 HA LEU 68 0.914 -6.973 -0.890 544 HB2 LEU 68 2HB LEU 68 -1.747 -7.673 0.372 545 HB3 LEU 68 1HB LEU 68 -0.188 -7.777 1.180 546 HG LEU 68 HG LEU 68 -1.361 -5.245 0.004 547 HD11 LEU 68 1HD1 LEU 68 -2.641 -5.892 1.953 548 HD12 LEU 68 2HD1 LEU 68 -1.548 -4.592 2.431 549 HD13 LEU 68 3HD1 LEU 68 -1.167 -6.262 2.851 550 HD21 LEU 68 3HD2 LEU 68 0.581 -4.513 1.770 551 HD22 LEU 68 1HD2 LEU 68 0.851 -4.693 0.039 552 HD23 LEU 68 2HD2 LEU 68 1.257 -6.009 1.139 553 H THR 69 H THR 69 -1.738 -8.980 -2.082 554 HA THR 69 HA THR 69 -0.833 -11.509 -1.241 555 HB THR 69 HB THR 69 -2.105 -10.916 -3.921 556 HG1 THR 69 1HG THR 69 -3.873 -10.517 -2.870 557 HG21 THR 69 3HG2 THR 69 -1.891 -13.343 -2.139 558 HG22 THR 69 1HG2 THR 69 -1.445 -13.193 -3.839 559 HG23 THR 69 2HG2 THR 69 -3.146 -13.203 -3.372 560 H ASN 70 H ASN 70 0.240 -9.580 -4.022 561 HA ASN 70 HA ASN 70 2.763 -11.000 -4.096 562 HB2 ASN 70 2HB ASN 70 2.417 -11.837 -6.479 563 HB3 ASN 70 1HB ASN 70 1.547 -12.729 -5.231 564 HD21 ASN 70 1HD2 ASN 70 0.909 -12.129 -8.208 565 HD22 ASN 70 2HD2 ASN 70 -0.680 -11.535 -8.163 566 HA PRO 71 HA PRO 71 2.418 -6.546 -5.619 567 HB2 PRO 71 2HB PRO 71 5.064 -6.595 -4.257 568 HB3 PRO 71 1HB PRO 71 3.769 -5.389 -4.165 569 HG2 PRO 71 2HG PRO 71 4.275 -7.149 -2.191 570 HG3 PRO 71 1HG PRO 71 2.660 -6.509 -2.525 571 HD2 PRO 71 2HD PRO 71 3.728 -9.227 -3.019 572 HD3 PRO 71 1HD PRO 71 2.051 -8.694 -2.823 573 H ALA 72 H ALA 72 4.897 -9.057 -5.845 574 HA ALA 72 HA ALA 72 6.582 -7.753 -7.760 575 HB1 ALA 72 1HB ALA 72 6.510 -10.253 -6.470 576 HB2 ALA 72 2HB ALA 72 7.765 -9.662 -7.558 577 HB3 ALA 72 3HB ALA 72 6.426 -10.617 -8.194 578 H LYS 73 H LYS 73 4.087 -10.270 -8.306 579 HA LYS 73 HA LYS 73 4.056 -9.984 -11.151 580 HB2 LYS 73 2HB LYS 73 1.879 -10.921 -9.255 581 HB3 LYS 73 1HB LYS 73 1.835 -11.118 -11.008 582 HG2 LYS 73 2HG LYS 73 3.977 -12.395 -10.878 583 HG3 LYS 73 1HG LYS 73 3.905 -12.279 -9.120 584 HD2 LYS 73 2HD LYS 73 1.679 -13.415 -9.179 585 HD3 LYS 73 1HD LYS 73 1.870 -13.624 -10.921 586 HE2 LYS 73 2HE LYS 73 4.199 -14.677 -10.185 587 HE3 LYS 73 1HE LYS 73 3.330 -14.961 -8.678 588 HZ1 LYS 73 3HZ LYS 73 3.242 -16.597 -10.788 589 HZ2 LYS 73 1HZ LYS 73 1.876 -15.638 -11.088 590 HZ3 LYS 73 2HZ LYS 73 2.010 -16.487 -9.623 591 H TYR 74 H TYR 74 2.579 -8.187 -8.571 592 HA TYR 74 HA TYR 74 0.470 -6.888 -9.955 593 HB2 TYR 74 2HB TYR 74 1.054 -6.871 -7.456 594 HB3 TYR 74 1HB TYR 74 2.215 -5.607 -7.845 595 HD1 TYR 74 2HD TYR 74 -1.369 -6.492 -7.713 596 HD2 TYR 74 1HD TYR 74 1.482 -3.380 -8.465 597 HE1 TYR 74 2HE TYR 74 -3.174 -4.793 -7.570 598 HE2 TYR 74 1HE TYR 74 -0.304 -1.688 -8.312 599 HH TYR 74 HH TYR 74 -2.427 -1.348 -7.589 600 H ILE 75 H ILE 75 3.824 -5.685 -9.391 601 HA ILE 75 HA ILE 75 3.639 -4.255 -11.999 602 HB ILE 75 HB ILE 75 4.832 -2.297 -10.872 603 HG12 ILE 75 2HG1 ILE 75 3.677 -3.578 -8.378 604 HG13 ILE 75 1HG1 ILE 75 5.380 -3.605 -8.796 605 HG21 ILE 75 1HG2 ILE 75 1.976 -3.064 -10.657 606 HG22 ILE 75 2HG2 ILE 75 2.709 -1.642 -11.394 607 HG23 ILE 75 3HG2 ILE 75 2.486 -1.713 -9.646 608 HD11 ILE 75 3HD1 ILE 75 3.747 -1.079 -8.484 609 HD12 ILE 75 1HD1 ILE 75 5.485 -1.180 -8.758 610 HD13 ILE 75 2HD1 ILE 75 4.797 -1.747 -7.238 611 HA PRO 76 HA PRO 76 7.556 -6.771 -11.271 612 HB2 PRO 76 2HB PRO 76 7.158 -7.040 -14.211 613 HB3 PRO 76 1HB PRO 76 7.582 -8.277 -13.011 614 HG2 PRO 76 2HG PRO 76 5.134 -8.113 -14.085 615 HG3 PRO 76 1HG PRO 76 5.406 -8.640 -12.416 616 HD2 PRO 76 2HD PRO 76 4.318 -6.048 -13.413 617 HD3 PRO 76 1HD PRO 76 4.000 -6.893 -11.883 618 H GLY 77 H GLY 77 9.562 -5.819 -11.482 619 HA2 GLY 77 2HA GLY 77 11.254 -4.617 -12.731 620 HA3 GLY 77 1HA GLY 77 9.972 -3.838 -13.650 621 H THR 78 H THR 78 8.942 -3.724 -10.495 622 HA THR 78 HA THR 78 9.846 -0.920 -10.291 623 HB THR 78 HB THR 78 7.444 -1.628 -9.849 624 HG1 THR 78 1HG THR 78 7.258 -0.077 -8.324 625 HG21 THR 78 3HG2 THR 78 6.951 -2.500 -7.595 626 HG22 THR 78 1HG2 THR 78 8.672 -2.671 -7.277 627 HG23 THR 78 2HG2 THR 78 7.910 -3.652 -8.527 628 H LYS 79 H LYS 79 10.720 -0.114 -8.201 629 HA LYS 79 HA LYS 79 12.813 -1.941 -7.239 630 HB2 LYS 79 2HB LYS 79 12.200 0.948 -6.542 631 HB3 LYS 79 1HB LYS 79 13.632 0.058 -6.022 632 HG2 LYS 79 2HG LYS 79 14.181 -0.348 -8.440 633 HG3 LYS 79 1HG LYS 79 12.842 0.717 -8.872 634 HD2 LYS 79 2HD LYS 79 15.176 1.526 -7.113 635 HD3 LYS 79 1HD LYS 79 15.046 1.899 -8.833 636 HE2 LYS 79 2HE LYS 79 12.674 2.852 -8.085 637 HE3 LYS 79 1HE LYS 79 13.491 3.008 -6.530 638 HZ1 LYS 79 3HZ LYS 79 14.209 4.932 -7.384 639 HZ2 LYS 79 1HZ LYS 79 13.906 4.469 -8.987 640 HZ3 LYS 79 2HZ LYS 79 15.336 3.971 -8.217 641 H MET 80 H MET 80 9.657 -1.541 -6.406 642 HA MET 80 HA MET 80 9.928 -1.440 -3.504 643 HB2 MET 80 2HB MET 80 7.873 -0.627 -4.529 644 HB3 MET 80 1HB MET 80 7.591 -2.198 -5.277 645 HG2 MET 80 2HG MET 80 7.161 -3.243 -3.198 646 HG3 MET 80 1HG MET 80 7.887 -1.920 -2.288 647 HE1 MET 80 3HE MET 80 5.753 -0.844 -5.351 648 HE2 MET 80 1HE MET 80 4.120 -1.294 -4.842 649 HE3 MET 80 2HE MET 80 5.343 -2.538 -5.086 650 H ALA 81 H ALA 81 10.421 -3.129 -2.219 651 HA ALA 81 HA ALA 81 10.021 -5.897 -3.293 652 HB1 ALA 81 1HB ALA 81 12.352 -5.705 -3.149 653 HB2 ALA 81 2HB ALA 81 11.933 -6.408 -1.586 654 HB3 ALA 81 3HB ALA 81 12.274 -4.683 -1.714 655 H PHE 82 H PHE 82 7.880 -5.704 -2.270 656 HA PHE 82 HA PHE 82 7.931 -5.762 0.707 657 HB2 PHE 82 2HB PHE 82 6.363 -4.183 -0.414 658 HB3 PHE 82 1HB PHE 82 5.570 -5.556 -1.184 659 HD1 PHE 82 1HD PHE 82 6.181 -3.815 2.011 660 HD2 PHE 82 2HD PHE 82 4.182 -7.094 0.088 661 HE1 PHE 82 1HE PHE 82 4.776 -4.142 4.027 662 HE2 PHE 82 2HE PHE 82 2.778 -7.421 2.102 663 HZ PHE 82 HZ PHE 82 3.071 -5.945 4.071 664 H GLY 83 H GLY 83 7.559 -7.667 1.766 665 HA2 GLY 83 2HA GLY 83 7.390 -10.138 0.269 666 HA3 GLY 83 1HA GLY 83 7.290 -9.992 2.025 667 H GLY 84 H GLY 84 5.585 -11.513 0.029 668 HA2 GLY 84 2HA GLY 84 2.996 -10.189 0.060 669 HA3 GLY 84 1HA GLY 84 3.293 -11.857 -0.428 670 H LEU 85 H LEU 85 1.204 -10.717 1.399 671 HA LEU 85 HA LEU 85 1.974 -11.944 3.997 672 HB2 LEU 85 2HB LEU 85 -0.561 -10.453 3.249 673 HB3 LEU 85 1HB LEU 85 -0.046 -10.900 4.876 674 HG LEU 85 HG LEU 85 1.377 -8.986 3.004 675 HD11 LEU 85 1HD1 LEU 85 0.338 -8.330 5.743 676 HD12 LEU 85 2HD1 LEU 85 -0.784 -8.361 4.383 677 HD13 LEU 85 3HD1 LEU 85 0.596 -7.262 4.362 678 HD21 LEU 85 3HD2 LEU 85 2.136 -10.263 5.620 679 HD22 LEU 85 1HD2 LEU 85 2.701 -8.634 5.252 680 HD23 LEU 85 2HD2 LEU 85 3.133 -9.976 4.193 681 H LYS 86 H LYS 86 1.160 -13.912 4.618 682 HA LYS 86 HA LYS 86 -0.594 -15.315 2.684 683 HB2 LYS 86 2HB LYS 86 0.879 -16.323 5.136 684 HB3 LYS 86 1HB LYS 86 -0.018 -17.332 4.002 685 HG2 LYS 86 2HG LYS 86 1.472 -16.448 2.166 686 HG3 LYS 86 1HG LYS 86 2.448 -15.673 3.414 687 HD2 LYS 86 2HD LYS 86 1.852 -18.645 3.284 688 HD3 LYS 86 1HD LYS 86 3.355 -17.897 2.747 689 HE2 LYS 86 2HE LYS 86 2.257 -18.083 5.551 690 HE3 LYS 86 1HE LYS 86 3.823 -18.624 4.951 691 HZ1 LYS 86 3HZ LYS 86 4.285 -16.223 4.456 692 HZ2 LYS 86 1HZ LYS 86 4.205 -16.624 6.102 693 HZ3 LYS 86 2HZ LYS 86 2.895 -15.840 5.356 694 H LYS 87 H LYS 87 -0.915 -13.548 5.560 695 HA LYS 87 HA LYS 87 -3.296 -15.099 6.420 696 HB2 LYS 87 2HB LYS 87 -1.827 -12.797 7.727 697 HB3 LYS 87 1HB LYS 87 -3.263 -13.570 8.397 698 HG2 LYS 87 2HG LYS 87 -2.036 -15.762 8.329 699 HG3 LYS 87 1HG LYS 87 -0.584 -14.876 7.853 700 HD2 LYS 87 2HD LYS 87 -0.804 -13.494 9.922 701 HD3 LYS 87 1HD LYS 87 -2.166 -14.502 10.410 702 HE2 LYS 87 2HE LYS 87 0.739 -15.131 10.375 703 HE3 LYS 87 1HE LYS 87 -0.520 -15.689 11.476 704 HZ1 LYS 87 3HZ LYS 87 -0.032 -16.634 8.706 705 HZ2 LYS 87 1HZ LYS 87 -1.370 -17.088 9.645 706 HZ3 LYS 87 2HZ LYS 87 0.199 -17.515 10.140 707 H GLU 88 H GLU 88 -5.303 -14.413 5.929 708 HA GLU 88 HA GLU 88 -5.668 -12.004 4.329 709 HB2 GLU 88 2HB GLU 88 -7.662 -13.963 5.504 710 HB3 GLU 88 1HB GLU 88 -8.079 -12.661 4.389 711 HG2 GLU 88 2HG GLU 88 -6.509 -13.618 2.717 712 HG3 GLU 88 1HG GLU 88 -6.170 -14.949 3.825 713 H LYS 89 H LYS 89 -6.438 -12.980 7.660 714 HA LYS 89 HA LYS 89 -8.017 -10.717 8.355 715 HB2 LYS 89 2HB LYS 89 -6.167 -12.395 10.076 716 HB3 LYS 89 1HB LYS 89 -7.359 -11.253 10.701 717 HG2 LYS 89 2HG LYS 89 -9.145 -12.521 9.505 718 HG3 LYS 89 1HG LYS 89 -7.933 -13.704 9.012 719 HD2 LYS 89 2HD LYS 89 -7.402 -14.102 11.422 720 HD3 LYS 89 1HD LYS 89 -8.723 -13.014 11.856 721 HE2 LYS 89 2HE LYS 89 -10.109 -14.785 11.740 722 HE3 LYS 89 1HE LYS 89 -9.836 -14.800 9.998 723 HZ1 LYS 89 3HZ LYS 89 -9.078 -16.856 10.452 724 HZ2 LYS 89 1HZ LYS 89 -8.709 -16.501 12.068 725 HZ3 LYS 89 2HZ LYS 89 -7.644 -16.029 10.831 726 H ASP 90 H ASP 90 -4.493 -11.232 8.774 727 HA ASP 90 HA ASP 90 -3.980 -8.632 9.847 728 HB2 ASP 90 2HB ASP 90 -2.197 -10.545 8.313 729 HB3 ASP 90 1HB ASP 90 -1.620 -9.093 9.125 730 H ARG 91 H ARG 91 -4.096 -9.885 6.550 731 HA ARG 91 HA ARG 91 -3.020 -7.665 5.163 732 HB2 ARG 91 2HB ARG 91 -3.648 -9.904 4.185 733 HB3 ARG 91 1HB ARG 91 -5.338 -9.407 4.268 734 HG2 ARG 91 2HG ARG 91 -4.665 -7.362 2.899 735 HG3 ARG 91 1HG ARG 91 -3.125 -8.177 2.619 736 HD2 ARG 91 2HD ARG 91 -5.886 -9.139 1.836 737 HD3 ARG 91 1HD ARG 91 -4.543 -8.741 0.765 738 HE ARG 91 HE ARG 91 -4.947 -11.279 2.072 739 HH11 ARG 91 1HH2 ARG 91 -2.585 -8.957 1.141 740 HH12 ARG 91 2HH2 ARG 91 -1.312 -10.117 0.974 741 HH21 ARG 91 1HH1 ARG 91 -3.300 -12.813 1.861 742 HH22 ARG 91 2HH1 ARG 91 -1.717 -12.302 1.382 743 H ASN 92 H ASN 92 -6.392 -8.304 6.159 744 HA ASN 92 HA ASN 92 -7.505 -5.942 5.009 745 HB2 ASN 92 2HB ASN 92 -8.765 -7.957 5.925 746 HB3 ASN 92 1HB ASN 92 -8.489 -7.286 7.533 747 HD21 ASN 92 1HD2 ASN 92 -11.110 -7.400 7.010 748 HD22 ASN 92 2HD2 ASN 92 -11.748 -5.905 6.523 749 H ASP 93 H ASP 93 -6.080 -6.546 8.213 750 HA ASP 93 HA ASP 93 -6.758 -4.050 9.384 751 HB2 ASP 93 2HB ASP 93 -4.367 -5.855 9.848 752 HB3 ASP 93 1HB ASP 93 -4.833 -4.522 10.898 753 H LEU 94 H LEU 94 -3.971 -5.011 7.385 754 HA LEU 94 HA LEU 94 -2.462 -2.630 7.709 755 HB2 LEU 94 2HB LEU 94 -1.608 -4.704 6.621 756 HB3 LEU 94 1HB LEU 94 -2.640 -4.367 5.232 757 HG LEU 94 HG LEU 94 -1.496 -2.192 4.914 758 HD11 LEU 94 1HD1 LEU 94 -0.656 -1.461 6.930 759 HD12 LEU 94 2HD1 LEU 94 0.809 -2.185 6.266 760 HD13 LEU 94 3HD1 LEU 94 -0.164 -3.076 7.436 761 HD21 LEU 94 3HD2 LEU 94 -0.061 -3.291 3.576 762 HD22 LEU 94 1HD2 LEU 94 -0.457 -4.779 4.434 763 HD23 LEU 94 2HD2 LEU 94 0.906 -3.792 4.961 764 H ILE 95 H ILE 95 -4.952 -3.413 5.259 765 HA ILE 95 HA ILE 95 -4.707 -0.914 3.867 766 HB ILE 95 HB ILE 95 -7.148 -2.686 4.076 767 HG12 ILE 95 2HG1 ILE 95 -4.884 -2.758 2.058 768 HG13 ILE 95 1HG1 ILE 95 -5.054 -3.895 3.395 769 HG21 ILE 95 1HG2 ILE 95 -8.063 -1.396 2.448 770 HG22 ILE 95 2HG2 ILE 95 -6.543 -1.313 1.553 771 HG23 ILE 95 3HG2 ILE 95 -6.843 -0.200 2.889 772 HD11 ILE 95 3HD1 ILE 95 -6.195 -5.116 1.832 773 HD12 ILE 95 1HD1 ILE 95 -6.605 -3.697 0.871 774 HD13 ILE 95 2HD1 ILE 95 -7.533 -4.079 2.320 775 H THR 96 H THR 96 -6.821 -1.985 6.511 776 HA THR 96 HA THR 96 -8.454 0.312 6.687 777 HB THR 96 HB THR 96 -7.483 -1.364 9.017 778 HG1 THR 96 1HG THR 96 -8.675 -2.906 8.258 779 HG21 THR 96 3HG2 THR 96 -8.978 0.879 9.115 780 HG22 THR 96 1HG2 THR 96 -9.222 -0.477 10.217 781 HG23 THR 96 2HG2 THR 96 -10.249 -0.300 8.794 782 H TYR 97 H TYR 97 -5.251 -0.329 8.136 783 HA TYR 97 HA TYR 97 -5.124 2.004 9.755 784 HB2 TYR 97 2HB TYR 97 -3.467 0.139 9.833 785 HB3 TYR 97 1HB TYR 97 -2.828 0.677 8.280 786 HD1 TYR 97 2HD TYR 97 -3.348 1.670 11.825 787 HD2 TYR 97 1HD TYR 97 -1.375 2.568 8.117 788 HE1 TYR 97 2HE TYR 97 -1.931 3.344 12.984 789 HE2 TYR 97 1HE TYR 97 0.040 4.242 9.275 790 HH TYR 97 HH TYR 97 -0.199 4.732 12.795 791 H LEU 98 H LEU 98 -3.968 1.520 6.398 792 HA LEU 98 HA LEU 98 -3.275 4.300 6.036 793 HB2 LEU 98 2HB LEU 98 -3.893 2.116 4.022 794 HB3 LEU 98 1HB LEU 98 -3.265 3.708 3.596 795 HG LEU 98 HG LEU 98 -1.899 1.726 5.444 796 HD11 LEU 98 1HD1 LEU 98 -1.937 2.035 2.557 797 HD12 LEU 98 2HD1 LEU 98 -1.161 0.786 3.529 798 HD13 LEU 98 3HD1 LEU 98 -0.313 2.295 3.196 799 HD21 LEU 98 3HD2 LEU 98 -0.991 3.704 6.171 800 HD22 LEU 98 1HD2 LEU 98 -1.443 4.568 4.702 801 HD23 LEU 98 2HD2 LEU 98 -0.014 3.535 4.713 802 H LYS 99 H LYS 99 -6.185 2.399 5.641 803 HA LYS 99 HA LYS 99 -7.718 4.156 4.047 804 HB2 LYS 99 2HB LYS 99 -8.395 1.845 4.818 805 HB3 LYS 99 1HB LYS 99 -8.738 2.542 6.401 806 HG2 LYS 99 2HG LYS 99 -10.322 4.131 5.308 807 HG3 LYS 99 1HG LYS 99 -10.047 3.293 3.780 808 HD2 LYS 99 2HD LYS 99 -10.842 1.184 4.801 809 HD3 LYS 99 1HD LYS 99 -11.152 2.043 6.311 810 HE2 LYS 99 2HE LYS 99 -12.853 3.389 5.309 811 HE3 LYS 99 1HE LYS 99 -12.397 2.877 3.684 812 HZ1 LYS 99 3HZ LYS 99 -13.750 1.313 5.794 813 HZ2 LYS 99 1HZ LYS 99 -12.958 0.549 4.503 814 HZ3 LYS 99 2HZ LYS 99 -14.257 1.602 4.198 815 H LYS 100 H LYS 100 -7.210 4.109 7.573 816 HA LYS 100 HA LYS 100 -8.947 6.279 8.220 817 HB2 LYS 100 2HB LYS 100 -6.380 5.351 9.539 818 HB3 LYS 100 1HB LYS 100 -7.512 6.499 10.255 819 HG2 LYS 100 2HG LYS 100 -9.304 4.790 10.126 820 HG3 LYS 100 1HG LYS 100 -8.135 3.638 9.471 821 HD2 LYS 100 2HD LYS 100 -6.774 3.829 11.499 822 HD3 LYS 100 1HD LYS 100 -7.893 5.024 12.150 823 HE2 LYS 100 2HE LYS 100 -9.186 3.374 12.974 824 HE3 LYS 100 1HE LYS 100 -9.408 2.732 11.346 825 HZ1 LYS 100 3HZ LYS 100 -6.858 2.184 12.650 826 HZ2 LYS 100 1HZ LYS 100 -7.784 1.204 11.621 827 HZ3 LYS 100 2HZ LYS 100 -8.219 1.367 13.256 828 H ALA 101 H ALA 101 -5.506 6.186 7.380 829 HA ALA 101 HA ALA 101 -4.963 8.960 7.701 830 HB1 ALA 101 1HB ALA 101 -3.037 7.681 7.407 831 HB2 ALA 101 2HB ALA 101 -3.207 8.415 5.813 832 HB3 ALA 101 3HB ALA 101 -3.735 6.754 6.079 833 H THR 102 H THR 102 -6.555 7.199 5.117 834 HA THR 102 HA THR 102 -6.334 9.145 3.054 835 HB THR 102 HB THR 102 -7.491 6.684 3.237 836 HG1 THR 102 1HG THR 102 -8.406 8.464 1.279 837 HG21 THR 102 3HG2 THR 102 -9.863 6.836 2.969 838 HG22 THR 102 1HG2 THR 102 -9.810 8.595 2.883 839 HG23 THR 102 2HG2 THR 102 -9.470 7.773 4.406 840 H GLU 103 H GLU 103 -8.478 8.952 5.850 841 HA GLU 103 HA GLU 103 -10.389 10.903 5.086 842 HB2 GLU 103 2HB GLU 103 -9.251 10.322 7.839 843 HB3 GLU 103 1HB GLU 103 -10.722 11.244 7.526 844 HG2 GLU 103 2HG GLU 103 -11.685 9.264 6.368 845 HG3 GLU 103 1HG GLU 103 -10.235 8.345 6.776 846 HHA HEC 201 HA HEC 104 4.845 2.752 -5.875 847 HHB HEC 201 HB HEC 104 1.085 0.234 -1.464 848 HHC HEC 201 HC HEC 104 6.150 -1.143 2.054 849 HHD HEC 201 HD HEC 104 9.915 1.288 -2.414 850 HMA1 HEC 201 1HMA HEC 104 -0.010 2.610 -4.205 851 HMA2 HEC 201 2HMA HEC 104 0.025 1.956 -2.568 852 HMA3 HEC 201 3HMA HEC 104 -0.263 0.885 -3.938 853 HAA1 HEC 201 1HAA HEC 104 2.578 1.516 -6.763 854 HAA2 HEC 201 2HAA HEC 104 1.058 2.177 -6.184 855 HBA1 HEC 201 1HBA HEC 104 3.218 3.557 -7.438 856 HBA2 HEC 201 2HBA HEC 104 3.061 4.166 -5.789 857 HMB1 HEC 201 1HMB HEC 104 0.419 -0.852 1.157 858 HMB2 HEC 201 2HMB HEC 104 0.806 -1.717 -0.325 859 HMB3 HEC 201 3HMB HEC 104 1.249 -2.405 1.228 860 HAB HEC 201 HAB HEC 104 4.361 -1.837 3.181 861 HBB1 HEC 201 1HBB HEC 104 2.141 -2.786 3.213 862 HBB2 HEC 201 2HBB HEC 104 1.407 -1.182 3.149 863 HBB3 HEC 201 3HBB HEC 104 2.293 -1.687 4.579 864 HMC1 HEC 201 1HMC HEC 104 9.964 -1.416 1.990 865 HMC2 HEC 201 2HMC HEC 104 8.617 -2.471 1.558 866 HMC3 HEC 201 3HMC HEC 104 8.414 -1.251 2.817 867 HAC HEC 201 HAC HEC 104 10.968 1.294 -0.486 868 HBC1 HEC 201 1HBC HEC 104 12.485 -0.372 -0.567 869 HBC2 HEC 201 2HBC HEC 104 12.013 -0.949 1.031 870 HBC3 HEC 201 3HBC HEC 104 11.141 -1.502 -0.399 871 HMD1 HEC 201 1HMD HEC 104 10.619 2.415 -4.277 872 HMD2 HEC 201 2HMD HEC 104 10.015 2.789 -5.891 873 HMD3 HEC 201 3HMD HEC 104 10.093 1.114 -5.346 874 HAD1 HEC 201 1HAD HEC 104 8.298 4.246 -6.257 875 HAD2 HEC 201 2HAD HEC 104 6.545 4.226 -6.250 876 HBD1 HEC 201 1HBD HEC 104 8.433 2.902 -8.084 877 HBD2 HEC 201 2HBD HEC 104 7.077 1.897 -7.570 Start of MODEL 4 1 H1 THR -5 1HT THR -5 -14.368 -6.897 -2.894 2 H2 THR -5 2HT THR -5 -14.383 -8.394 -3.696 3 H3 THR -5 3HT THR -5 -14.103 -8.326 -2.021 4 HA THR -5 HA THR -5 -16.633 -7.606 -3.402 5 HB THR -5 HB THR -5 -17.404 -9.574 -1.878 6 HG1 THR -5 1HG THR -5 -14.694 -10.292 -2.218 7 HG21 THR -5 1HG2 THR -5 -15.740 -9.870 -4.382 8 HG22 THR -5 2HG2 THR -5 -17.499 -9.828 -4.244 9 HG23 THR -5 3HG2 THR -5 -16.601 -11.227 -3.655 10 H GLU -4 H GLU -4 -16.111 -8.841 -0.150 11 HA GLU -4 HA GLU -4 -17.204 -6.266 0.905 12 HB2 GLU -4 2HB GLU -4 -17.222 -9.043 2.129 13 HB3 GLU -4 1HB GLU -4 -17.928 -7.600 2.859 14 HG2 GLU -4 2HG GLU -4 -18.737 -8.759 0.176 15 HG3 GLU -4 1HG GLU -4 -19.634 -8.970 1.680 16 H PHE -3 H PHE -3 -16.234 -5.388 2.831 17 HA PHE -3 HA PHE -3 -13.377 -6.175 3.131 18 HB2 PHE -3 2HB PHE -3 -13.865 -3.800 2.592 19 HB3 PHE -3 1HB PHE -3 -14.814 -3.674 4.073 20 HD1 PHE -3 1HD PHE -3 -13.717 -3.888 6.293 21 HD2 PHE -3 2HD PHE -3 -11.453 -3.830 2.643 22 HE1 PHE -3 1HE PHE -3 -11.648 -3.427 7.584 23 HE2 PHE -3 2HE PHE -3 -9.388 -3.364 3.932 24 HZ PHE -3 HZ PHE -3 -9.486 -3.166 6.400 25 H LYS -2 H LYS -2 -12.696 -7.129 5.004 26 HA LYS -2 HA LYS -2 -14.691 -7.606 7.123 27 HB2 LYS -2 2HB LYS -2 -13.137 -9.413 6.330 28 HB3 LYS -2 1HB LYS -2 -11.791 -8.486 6.997 29 HG2 LYS -2 2HG LYS -2 -12.763 -8.609 9.233 30 HG3 LYS -2 1HG LYS -2 -14.185 -9.438 8.597 31 HD2 LYS -2 2HD LYS -2 -12.701 -11.108 9.538 32 HD3 LYS -2 1HD LYS -2 -12.672 -11.271 7.782 33 HE2 LYS -2 2HE LYS -2 -10.534 -10.353 7.598 34 HE3 LYS -2 1HE LYS -2 -10.663 -9.490 9.130 35 HZ1 LYS -2 3HZ LYS -2 -9.443 -11.187 9.895 36 HZ2 LYS -2 1HZ LYS -2 -9.851 -12.216 8.609 37 HZ3 LYS -2 2HZ LYS -2 -10.916 -12.034 9.920 38 H ALA -1 H ALA -1 -14.797 -6.382 8.956 39 HA ALA -1 HA ALA -1 -13.174 -4.052 9.298 40 HB1 ALA -1 1HB ALA -1 -14.165 -4.035 11.627 41 HB2 ALA -1 2HB ALA -1 -14.949 -5.564 11.229 42 HB3 ALA -1 3HB ALA -1 -15.350 -4.105 10.322 43 H GLY 1 H GLY 1 -10.975 -4.573 9.338 44 HA2 GLY 1 2HA GLY 1 -10.015 -6.595 11.260 45 HA3 GLY 1 1HA GLY 1 -9.017 -5.721 10.098 46 H SER 2 H SER 2 -7.776 -5.671 12.345 47 HA SER 2 HA SER 2 -8.669 -3.276 13.894 48 HB2 SER 2 2HB SER 2 -8.235 -5.384 15.171 49 HB3 SER 2 1HB SER 2 -6.566 -5.344 14.610 50 HG SER 2 HG SER 2 -7.730 -3.995 16.631 51 H ALA 3 H ALA 3 -7.522 -1.417 13.667 52 HA ALA 3 HA ALA 3 -5.400 -1.215 11.736 53 HB1 ALA 3 1HB ALA 3 -5.213 1.092 13.214 54 HB2 ALA 3 2HB ALA 3 -6.878 0.600 13.522 55 HB3 ALA 3 3HB ALA 3 -6.324 0.853 11.866 56 H LYS 4 H LYS 4 -5.441 -1.755 15.194 57 HA LYS 4 HA LYS 4 -2.843 -0.867 15.871 58 HB2 LYS 4 2HB LYS 4 -4.389 -3.253 16.925 59 HB3 LYS 4 1HB LYS 4 -2.948 -2.577 17.686 60 HG2 LYS 4 2HG LYS 4 -4.119 -0.379 17.859 61 HG3 LYS 4 1HG LYS 4 -5.575 -1.140 17.218 62 HD2 LYS 4 2HD LYS 4 -5.510 -2.769 19.112 63 HD3 LYS 4 1HD LYS 4 -4.137 -1.884 19.781 64 HE2 LYS 4 2HE LYS 4 -6.237 -0.023 19.146 65 HE3 LYS 4 1HE LYS 4 -6.894 -1.322 20.143 66 HZ1 LYS 4 3HZ LYS 4 -5.981 0.477 21.485 67 HZ2 LYS 4 1HZ LYS 4 -4.460 0.261 20.767 68 HZ3 LYS 4 2HZ LYS 4 -5.124 -0.970 21.732 69 H LYS 5 H LYS 5 -3.847 -4.084 14.641 70 HA LYS 5 HA LYS 5 -1.178 -5.157 14.630 71 HB2 LYS 5 2HB LYS 5 -3.614 -5.909 12.989 72 HB3 LYS 5 1HB LYS 5 -2.132 -6.861 13.072 73 HG2 LYS 5 2HG LYS 5 -2.419 -7.016 15.548 74 HG3 LYS 5 1HG LYS 5 -3.963 -6.177 15.389 75 HD2 LYS 5 2HD LYS 5 -4.736 -7.982 13.844 76 HD3 LYS 5 1HD LYS 5 -3.226 -8.842 14.146 77 HE2 LYS 5 2HE LYS 5 -4.032 -8.355 16.697 78 HE3 LYS 5 1HE LYS 5 -5.593 -8.513 15.894 79 HZ1 LYS 5 3HZ LYS 5 -4.318 -10.599 16.783 80 HZ2 LYS 5 1HZ LYS 5 -3.508 -10.482 15.297 81 HZ3 LYS 5 2HZ LYS 5 -5.197 -10.669 15.329 82 H GLY 6 H GLY 6 -3.189 -3.861 11.970 83 HA2 GLY 6 2HA GLY 6 -1.114 -3.952 10.004 84 HA3 GLY 6 1HA GLY 6 -2.566 -2.956 9.902 85 H ALA 7 H ALA 7 -1.908 -1.620 12.502 86 HA ALA 7 HA ALA 7 -0.569 0.657 11.487 87 HB1 ALA 7 1HB ALA 7 -0.245 1.260 13.921 88 HB2 ALA 7 2HB ALA 7 -0.903 -0.323 14.333 89 HB3 ALA 7 3HB ALA 7 -1.905 0.855 13.486 90 H THR 8 H THR 8 0.728 -1.992 13.503 91 HA THR 8 HA THR 8 3.429 -0.933 13.414 92 HB THR 8 HB THR 8 4.054 -3.034 14.476 93 HG1 THR 8 1HG THR 8 2.991 -4.616 13.521 94 HG21 THR 8 3HG2 THR 8 1.317 -2.328 15.531 95 HG22 THR 8 1HG2 THR 8 2.704 -1.259 15.733 96 HG23 THR 8 2HG2 THR 8 2.726 -2.874 16.441 97 H LEU 9 H LEU 9 1.598 -3.331 11.538 98 HA LEU 9 HA LEU 9 3.768 -4.433 10.072 99 HB2 LEU 9 2HB LEU 9 1.405 -5.280 9.999 100 HB3 LEU 9 1HB LEU 9 0.971 -3.865 9.042 101 HG LEU 9 HG LEU 9 2.835 -4.585 7.421 102 HD11 LEU 9 1HD1 LEU 9 4.066 -6.186 8.652 103 HD12 LEU 9 2HD1 LEU 9 3.125 -7.152 7.518 104 HD13 LEU 9 3HD1 LEU 9 2.611 -7.017 9.197 105 HD21 LEU 9 3HD2 LEU 9 0.123 -5.589 7.800 106 HD22 LEU 9 1HD2 LEU 9 1.128 -6.733 6.909 107 HD23 LEU 9 2HD2 LEU 9 0.930 -5.085 6.315 108 H PHE 10 H PHE 10 1.800 -1.545 9.530 109 HA PHE 10 HA PHE 10 3.028 -0.750 7.061 110 HB2 PHE 10 2HB PHE 10 0.872 0.165 7.979 111 HB3 PHE 10 1HB PHE 10 1.803 1.016 9.206 112 HD1 PHE 10 2HD PHE 10 1.101 0.766 5.578 113 HD2 PHE 10 1HD PHE 10 3.094 2.975 8.676 114 HE1 PHE 10 2HE PHE 10 1.511 2.628 3.989 115 HE2 PHE 10 1HE PHE 10 3.496 4.835 7.088 116 HZ PHE 10 HZ PHE 10 2.712 4.663 4.750 117 H LYS 11 H LYS 11 3.631 0.122 10.451 118 HA LYS 11 HA LYS 11 5.814 1.899 9.983 119 HB2 LYS 11 2HB LYS 11 4.494 1.598 12.141 120 HB3 LYS 11 1HB LYS 11 5.437 0.134 12.412 121 HG2 LYS 11 2HG LYS 11 7.526 1.464 12.273 122 HG3 LYS 11 1HG LYS 11 6.563 2.928 12.071 123 HD2 LYS 11 2HD LYS 11 5.449 2.432 14.262 124 HD3 LYS 11 1HD LYS 11 6.566 1.083 14.475 125 HE2 LYS 11 2HE LYS 11 8.198 2.464 15.180 126 HE3 LYS 11 1HE LYS 11 8.013 3.484 13.752 127 HZ1 LYS 11 3HZ LYS 11 6.671 4.911 14.832 128 HZ2 LYS 11 1HZ LYS 11 7.443 4.299 16.212 129 HZ3 LYS 11 2HZ LYS 11 5.921 3.699 15.757 130 H THR 12 H THR 12 5.701 -1.597 10.570 131 HA THR 12 HA THR 12 8.565 -1.917 10.688 132 HB THR 12 HB THR 12 8.102 -4.304 10.611 133 HG1 THR 12 1HG THR 12 6.509 -4.174 8.956 134 HG21 THR 12 3HG2 THR 12 5.848 -3.962 12.229 135 HG22 THR 12 1HG2 THR 12 6.724 -2.436 12.364 136 HG23 THR 12 2HG2 THR 12 7.530 -3.954 12.762 137 H ARG 13 H ARG 13 6.256 -1.969 8.001 138 HA ARG 13 HA ARG 13 8.584 -2.129 6.179 139 HB2 ARG 13 2HB ARG 13 6.252 -4.059 6.116 140 HB3 ARG 13 1HB ARG 13 7.422 -3.889 4.809 141 HG2 ARG 13 2HG ARG 13 9.247 -4.409 6.448 142 HG3 ARG 13 1HG ARG 13 8.008 -4.723 7.665 143 HD2 ARG 13 2HD ARG 13 7.013 -6.432 6.106 144 HD3 ARG 13 1HD ARG 13 8.409 -6.204 5.052 145 HE ARG 13 HE ARG 13 9.746 -7.372 6.634 146 HH11 ARG 13 1HH2 ARG 13 6.609 -6.581 7.826 147 HH12 ARG 13 2HH2 ARG 13 6.749 -7.575 9.238 148 HH21 ARG 13 1HH1 ARG 13 9.946 -8.675 8.470 149 HH22 ARG 13 2HH1 ARG 13 8.638 -8.761 9.602 150 H CYS 14 H CYS 14 7.279 0.217 6.423 151 HA CYS 14 HA CYS 14 6.231 0.648 3.787 152 HB2 CYS 14 2HB CYS 14 4.325 -0.529 5.204 153 HB3 CYS 14 1HB CYS 14 4.087 1.106 5.813 154 H LEU 15 H LEU 15 5.839 1.933 7.106 155 HA LEU 15 HA LEU 15 5.658 4.659 6.397 156 HB2 LEU 15 2HB LEU 15 5.256 3.759 8.687 157 HB3 LEU 15 1HB LEU 15 6.990 3.506 8.864 158 HG LEU 15 HG LEU 15 7.212 6.031 8.301 159 HD11 LEU 15 1HD1 LEU 15 4.980 6.505 7.533 160 HD12 LEU 15 2HD1 LEU 15 5.172 7.312 9.086 161 HD13 LEU 15 3HD1 LEU 15 4.271 5.801 8.988 162 HD21 LEU 15 3HD2 LEU 15 7.626 5.045 10.525 163 HD22 LEU 15 1HD2 LEU 15 5.903 5.141 10.886 164 HD23 LEU 15 2HD2 LEU 15 6.843 6.618 10.664 165 H GLN 16 H GLN 16 8.535 2.637 6.865 166 HA GLN 16 HA GLN 16 10.489 4.684 6.826 167 HB2 GLN 16 2HB GLN 16 10.630 1.870 5.705 168 HB3 GLN 16 1HB GLN 16 12.026 2.917 5.957 169 HG2 GLN 16 2HG GLN 16 11.523 3.044 8.357 170 HG3 GLN 16 1HG GLN 16 10.097 2.031 8.123 171 HE21 GLN 16 1HE2 GLN 16 12.193 1.180 9.859 172 HE22 GLN 16 2HE2 GLN 16 12.965 -0.161 9.163 173 H CYS 17 H CYS 17 8.766 3.122 4.158 174 HA CYS 17 HA CYS 17 10.311 4.741 2.205 175 HB2 CYS 17 2HB CYS 17 8.276 2.531 1.860 176 HB3 CYS 17 1HB CYS 17 9.028 3.396 0.521 177 H HIS 18 H HIS 18 6.943 4.214 3.256 178 HA HIS 18 HA HIS 18 6.156 6.593 1.642 179 HB2 HIS 18 2HB HIS 18 4.576 4.308 2.844 180 HB3 HIS 18 1HB HIS 18 3.808 5.747 2.165 181 HD1 HIS 18 1HD HIS 18 4.462 6.244 -0.440 182 HD2 HIS 18 2HD HIS 18 5.282 2.420 0.978 183 HE1 HIS 18 1HE HIS 18 4.751 4.766 -2.488 184 H THR 19 H THR 19 5.887 8.475 2.705 185 HA THR 19 HA THR 19 5.802 8.519 5.640 186 HB THR 19 HB THR 19 5.893 10.944 5.397 187 HG1 THR 19 1HG THR 19 5.958 11.670 3.097 188 HG21 THR 19 3HG2 THR 19 8.043 11.050 4.578 189 HG22 THR 19 1HG2 THR 19 7.662 10.079 3.155 190 HG23 THR 19 2HG2 THR 19 7.886 9.299 4.721 191 H VAL 20 H VAL 20 3.595 8.499 3.011 192 HA VAL 20 HA VAL 20 1.293 8.979 2.872 193 HB VAL 20 HB VAL 20 1.409 6.774 3.995 194 HG11 VAL 20 1HG1 VAL 20 2.584 7.262 6.028 195 HG12 VAL 20 2HG1 VAL 20 0.960 6.764 6.495 196 HG13 VAL 20 3HG1 VAL 20 1.392 8.470 6.506 197 HG21 VAL 20 3HG2 VAL 20 -0.839 6.811 4.063 198 HG22 VAL 20 1HG2 VAL 20 -0.752 8.562 3.892 199 HG23 VAL 20 2HG2 VAL 20 -0.831 7.835 5.496 200 H GLU 21 H GLU 21 3.020 11.017 4.366 201 HA GLU 21 HA GLU 21 0.851 12.232 6.030 202 HB2 GLU 21 2HB GLU 21 3.062 11.836 7.149 203 HB3 GLU 21 1HB GLU 21 3.803 12.929 5.980 204 HG2 GLU 21 2HG GLU 21 2.235 14.724 6.717 205 HG3 GLU 21 1HG GLU 21 1.607 13.631 7.950 206 H LYS 22 H LYS 22 -0.161 13.987 5.165 207 HA LYS 22 HA LYS 22 0.552 14.991 2.565 208 HB2 LYS 22 2HB LYS 22 -1.248 16.575 2.875 209 HB3 LYS 22 1HB LYS 22 -1.762 15.037 3.568 210 HG2 LYS 22 2HG LYS 22 -1.001 15.865 5.814 211 HG3 LYS 22 1HG LYS 22 -0.686 17.436 5.077 212 HD2 LYS 22 2HD LYS 22 -3.105 17.405 4.276 213 HD3 LYS 22 1HD LYS 22 -3.344 16.022 5.346 214 HE2 LYS 22 2HE LYS 22 -2.602 18.852 6.088 215 HE3 LYS 22 1HE LYS 22 -3.968 17.891 6.660 216 HZ1 LYS 22 3HZ LYS 22 -1.109 17.626 7.354 217 HZ2 LYS 22 1HZ LYS 22 -2.187 16.336 7.577 218 HZ3 LYS 22 2HZ LYS 22 -2.443 17.806 8.391 219 H GLY 23 H GLY 23 1.065 16.217 5.860 220 HA2 GLY 23 2HA GLY 23 2.175 18.740 5.118 221 HA3 GLY 23 1HA GLY 23 2.480 17.915 6.645 222 H GLY 24 H GLY 24 3.643 15.539 5.491 223 HA2 GLY 24 2HA GLY 24 6.338 16.579 5.052 224 HA3 GLY 24 1HA GLY 24 5.899 14.878 5.183 225 HA PRO 25 HA PRO 25 6.231 16.289 0.614 226 HB2 PRO 25 2HB PRO 25 8.867 16.040 0.049 227 HB3 PRO 25 1HB PRO 25 8.196 17.534 0.731 228 HG2 PRO 25 2HG PRO 25 9.647 15.316 2.103 229 HG3 PRO 25 1HG PRO 25 9.827 17.069 2.295 230 HD2 PRO 25 2HD PRO 25 8.369 15.519 4.027 231 HD3 PRO 25 1HD PRO 25 8.021 17.236 3.721 232 H HIS 26 H HIS 26 8.167 14.772 -0.925 233 HA HIS 26 HA HIS 26 7.082 12.043 -0.449 234 HB2 HIS 26 2HB HIS 26 8.436 13.294 -2.858 235 HB3 HIS 26 1HB HIS 26 7.933 11.608 -2.777 236 HD1 HIS 26 1HD HIS 26 5.415 11.096 -2.929 237 HD2 HIS 26 2HD HIS 26 6.267 15.178 -2.997 238 HE1 HIS 26 1HE HIS 26 3.273 12.263 -3.615 239 HE2 HIS 26 2HE HIS 26 3.778 14.750 -3.649 240 H LYS 27 H LYS 27 8.440 10.355 0.089 241 HA LYS 27 HA LYS 27 11.323 11.041 0.447 242 HB2 LYS 27 2HB LYS 27 9.874 10.277 2.431 243 HB3 LYS 27 1HB LYS 27 9.873 8.687 1.670 244 HG2 LYS 27 2HG LYS 27 11.714 8.525 3.100 245 HG3 LYS 27 1HG LYS 27 12.479 9.024 1.592 246 HD2 LYS 27 2HD LYS 27 12.547 11.337 2.320 247 HD3 LYS 27 1HD LYS 27 11.611 10.950 3.764 248 HE2 LYS 27 2HE LYS 27 13.395 9.658 4.691 249 HE3 LYS 27 1HE LYS 27 14.277 9.658 3.164 250 HZ1 LYS 27 3HZ LYS 27 14.406 12.121 3.385 251 HZ2 LYS 27 1HZ LYS 27 15.274 11.267 4.566 252 HZ3 LYS 27 2HZ LYS 27 13.776 11.968 4.955 253 H VAL 28 H VAL 28 11.332 7.859 0.775 254 HA VAL 28 HA VAL 28 12.582 7.330 -1.737 255 HB VAL 28 HB VAL 28 11.384 5.447 0.314 256 HG11 VAL 28 1HG1 VAL 28 12.875 3.751 -0.824 257 HG12 VAL 28 2HG1 VAL 28 13.095 4.915 -2.129 258 HG13 VAL 28 3HG1 VAL 28 11.492 4.266 -1.787 259 HG21 VAL 28 3HG2 VAL 28 13.528 7.084 0.595 260 HG22 VAL 28 1HG2 VAL 28 14.307 5.691 -0.156 261 HG23 VAL 28 2HG2 VAL 28 13.424 5.498 1.358 262 H GLY 29 H GLY 29 9.280 6.722 -0.564 263 HA2 GLY 29 2HA GLY 29 8.507 6.112 -3.395 264 HA3 GLY 29 1HA GLY 29 7.756 5.313 -2.014 265 HA PRO 30 HA PRO 30 5.614 9.415 -3.406 266 HB2 PRO 30 2HB PRO 30 3.279 8.096 -4.206 267 HB3 PRO 30 1HB PRO 30 4.545 8.697 -5.290 268 HG2 PRO 30 2HG PRO 30 4.060 5.950 -4.296 269 HG3 PRO 30 1HG PRO 30 4.666 6.499 -5.868 270 HD2 PRO 30 2HD PRO 30 6.321 5.453 -3.995 271 HD3 PRO 30 1HD PRO 30 6.849 6.740 -5.102 272 H ASN 31 H ASN 31 4.151 10.415 -1.982 273 HA ASN 31 HA ASN 31 3.530 8.992 0.479 274 HB2 ASN 31 2HB ASN 31 2.558 11.717 -0.430 275 HB3 ASN 31 1HB ASN 31 2.604 11.108 1.224 276 HD21 ASN 31 1HD2 ASN 31 5.171 9.927 1.296 277 HD22 ASN 31 2HD2 ASN 31 6.345 11.131 1.071 278 H LEU 32 H LEU 32 1.461 8.382 1.227 279 HA LEU 32 HA LEU 32 -0.572 8.067 -0.920 280 HB2 LEU 32 2HB LEU 32 -0.381 6.785 1.825 281 HB3 LEU 32 1HB LEU 32 -1.622 6.435 0.623 282 HG LEU 32 HG LEU 32 0.196 5.762 -0.973 283 HD11 LEU 32 1HD1 LEU 32 2.206 6.662 -0.333 284 HD12 LEU 32 2HD1 LEU 32 2.349 5.124 0.514 285 HD13 LEU 32 3HD1 LEU 32 1.828 6.566 1.385 286 HD21 LEU 32 3HD2 LEU 32 0.887 3.833 0.960 287 HD22 LEU 32 1HD2 LEU 32 -0.434 3.736 -0.205 288 HD23 LEU 32 2HD2 LEU 32 -0.728 4.387 1.409 289 H HIS 33 H HIS 33 -2.576 9.019 -0.770 290 HA HIS 33 HA HIS 33 -3.748 10.028 1.638 291 HB2 HIS 33 2HB HIS 33 -1.908 11.703 1.420 292 HB3 HIS 33 1HB HIS 33 -2.527 12.138 -0.173 293 HD1 HIS 33 1HD HIS 33 -3.921 11.846 3.378 294 HD2 HIS 33 2HD HIS 33 -4.337 14.212 -0.033 295 HE1 HIS 33 1HE HIS 33 -5.578 13.672 3.968 296 HE2 HIS 33 2HE HIS 33 -5.837 15.117 1.900 297 H GLY 34 H GLY 34 -5.640 9.135 0.813 298 HA2 GLY 34 2HA GLY 34 -7.708 9.380 -0.338 299 HA3 GLY 34 1HA GLY 34 -6.994 10.695 -1.278 300 H ILE 35 H ILE 35 -4.929 8.055 -1.130 301 HA ILE 35 HA ILE 35 -4.964 7.554 -3.919 302 HB ILE 35 HB ILE 35 -3.149 6.945 -2.210 303 HG12 ILE 35 2HG1 ILE 35 -3.933 4.693 -4.078 304 HG13 ILE 35 1HG1 ILE 35 -3.276 6.222 -4.663 305 HG21 ILE 35 1HG2 ILE 35 -4.828 5.685 -0.761 306 HG22 ILE 35 2HG2 ILE 35 -3.315 4.840 -1.086 307 HG23 ILE 35 3HG2 ILE 35 -4.776 4.406 -1.973 308 HD11 ILE 35 3HD1 ILE 35 -1.337 5.829 -3.022 309 HD12 ILE 35 1HD1 ILE 35 -1.391 4.792 -4.447 310 HD13 ILE 35 2HD1 ILE 35 -1.938 4.176 -2.887 311 H PHE 36 H PHE 36 -6.975 6.338 -1.355 312 HA PHE 36 HA PHE 36 -7.893 3.943 -2.632 313 HB2 PHE 36 2HB PHE 36 -9.201 5.790 -0.614 314 HB3 PHE 36 1HB PHE 36 -9.875 4.237 -1.099 315 HD1 PHE 36 1HD PHE 36 -8.758 2.132 -0.518 316 HD2 PHE 36 2HD PHE 36 -7.175 5.922 0.760 317 HE1 PHE 36 1HE PHE 36 -7.291 0.971 1.108 318 HE2 PHE 36 2HE PHE 36 -5.710 4.752 2.390 319 HZ PHE 36 HZ PHE 36 -5.770 2.280 2.558 320 H GLY 37 H GLY 37 -9.325 3.702 -4.309 321 HA2 GLY 37 2HA GLY 37 -10.910 4.269 -5.954 322 HA3 GLY 37 1HA GLY 37 -11.415 5.600 -4.908 323 H ARG 38 H ARG 38 -8.093 5.196 -5.944 324 HA ARG 38 HA ARG 38 -8.414 7.476 -7.837 325 HB2 ARG 38 2HB ARG 38 -7.579 8.297 -5.645 326 HB3 ARG 38 1HB ARG 38 -6.222 7.180 -5.770 327 HG2 ARG 38 2HG ARG 38 -5.549 8.291 -7.900 328 HG3 ARG 38 1HG ARG 38 -6.849 9.460 -7.667 329 HD2 ARG 38 2HD ARG 38 -4.579 8.973 -5.717 330 HD3 ARG 38 1HD ARG 38 -4.671 10.326 -6.843 331 HE ARG 38 HE ARG 38 -7.044 10.198 -5.205 332 HH11 ARG 38 1HH2 ARG 38 -3.700 11.034 -5.256 333 HH12 ARG 38 2HH2 ARG 38 -3.845 12.235 -4.017 334 HH21 ARG 38 1HH1 ARG 38 -7.252 11.761 -3.586 335 HH22 ARG 38 2HH1 ARG 38 -5.856 12.646 -3.071 336 H HIS 39 H HIS 39 -6.807 7.537 -9.520 337 HA HIS 39 HA HIS 39 -5.630 4.880 -10.082 338 HB2 HIS 39 2HB HIS 39 -5.913 7.374 -11.787 339 HB3 HIS 39 1HB HIS 39 -5.188 5.866 -12.342 340 HD1 HIS 39 1HD HIS 39 -8.485 7.394 -11.384 341 HD2 HIS 39 2HD HIS 39 -7.038 3.753 -12.816 342 HE1 HIS 39 1HE HIS 39 -10.511 6.044 -12.091 343 HE2 HIS 39 2HE HIS 39 -9.641 3.827 -12.964 344 H SER 40 H SER 40 -3.378 4.593 -10.368 345 HA SER 40 HA SER 40 -1.672 6.311 -8.823 346 HB2 SER 40 2HB SER 40 0.104 4.851 -9.456 347 HB3 SER 40 1HB SER 40 -1.327 3.831 -9.345 348 HG SER 40 HG SER 40 -0.874 3.333 -11.332 349 H GLY 41 H GLY 41 0.182 7.534 -9.640 350 HA2 GLY 41 2HA GLY 41 1.351 8.779 -11.314 351 HA3 GLY 41 1HA GLY 41 0.108 8.329 -12.478 352 H GLN 42 H GLN 42 -1.987 9.143 -10.405 353 HA GLN 42 HA GLN 42 -2.456 11.775 -11.396 354 HB2 GLN 42 2HB GLN 42 -4.186 10.214 -10.416 355 HB3 GLN 42 1HB GLN 42 -3.561 10.633 -8.820 356 HG2 GLN 42 2HG GLN 42 -4.005 13.032 -9.300 357 HG3 GLN 42 1HG GLN 42 -4.698 12.573 -10.855 358 HE21 GLN 42 1HE2 GLN 42 -6.894 11.987 -10.866 359 HE22 GLN 42 2HE2 GLN 42 -7.819 11.717 -9.469 360 H ALA 43 H ALA 43 -0.873 10.655 -8.418 361 HA ALA 43 HA ALA 43 -0.753 13.160 -7.084 362 HB1 ALA 43 1HB ALA 43 -0.124 10.989 -6.041 363 HB2 ALA 43 2HB ALA 43 1.126 12.215 -5.826 364 HB3 ALA 43 3HB ALA 43 1.326 10.953 -7.042 365 H GLU 44 H GLU 44 1.510 11.699 -9.406 366 HA GLU 44 HA GLU 44 3.216 12.659 -10.690 367 HB2 GLU 44 2HB GLU 44 1.533 15.146 -10.268 368 HB3 GLU 44 1HB GLU 44 2.817 14.975 -11.463 369 HG2 GLU 44 2HG GLU 44 1.589 13.062 -12.474 370 HG3 GLU 44 1HG GLU 44 0.281 13.321 -11.320 371 H GLY 45 H GLY 45 2.597 13.875 -7.515 372 HA2 GLY 45 2HA GLY 45 4.639 15.815 -7.246 373 HA3 GLY 45 1HA GLY 45 4.046 14.805 -5.928 374 H TYR 46 H TYR 46 4.782 12.289 -7.185 375 HA TYR 46 HA TYR 46 7.766 12.496 -7.055 376 HB2 TYR 46 2HB TYR 46 6.738 11.479 -5.007 377 HB3 TYR 46 1HB TYR 46 6.055 10.217 -6.029 378 HD1 TYR 46 1HD TYR 46 9.276 11.794 -5.002 379 HD2 TYR 46 2HD TYR 46 7.346 8.343 -6.679 380 HE1 TYR 46 1HE TYR 46 11.413 10.543 -4.882 381 HE2 TYR 46 2HE TYR 46 9.485 7.091 -6.562 382 HH TYR 46 HH TYR 46 11.783 7.396 -6.361 383 H SER 47 H SER 47 8.901 11.244 -8.563 384 HA SER 47 HA SER 47 7.545 10.571 -10.993 385 HB2 SER 47 2HB SER 47 9.669 9.809 -11.778 386 HB3 SER 47 1HB SER 47 10.014 11.154 -10.696 387 HG SER 47 HG SER 47 11.153 8.957 -10.489 388 H TYR 48 H TYR 48 7.400 8.411 -11.968 389 HA TYR 48 HA TYR 48 6.982 6.268 -9.920 390 HB2 TYR 48 2HB TYR 48 5.453 6.890 -12.459 391 HB3 TYR 48 1HB TYR 48 5.279 5.370 -11.582 392 HD1 TYR 48 2HD TYR 48 4.710 9.017 -11.459 393 HD2 TYR 48 1HD TYR 48 4.207 5.279 -9.406 394 HE1 TYR 48 2HE TYR 48 3.125 10.095 -9.881 395 HE2 TYR 48 1HE TYR 48 2.626 6.355 -7.831 396 HH TYR 48 HH TYR 48 1.421 8.191 -7.409 397 H THR 49 H THR 49 7.712 4.174 -10.467 398 HA THR 49 HA THR 49 9.916 4.098 -12.370 399 HB THR 49 HB THR 49 10.241 1.819 -11.616 400 HG1 THR 49 1HG THR 49 8.641 0.664 -10.911 401 HG21 THR 49 3HG2 THR 49 9.546 2.516 -8.982 402 HG22 THR 49 1HG2 THR 49 9.895 4.040 -9.798 403 HG23 THR 49 2HG2 THR 49 11.106 2.759 -9.769 404 H ASP 50 H ASP 50 10.023 2.357 -14.061 405 HA ASP 50 HA ASP 50 7.959 2.596 -15.964 406 HB2 ASP 50 2HB ASP 50 10.034 0.431 -15.605 407 HB3 ASP 50 1HB ASP 50 9.006 0.571 -17.030 408 H ALA 51 H ALA 51 8.355 0.306 -13.329 409 HA ALA 51 HA ALA 51 6.567 -1.712 -14.084 410 HB1 ALA 51 1HB ALA 51 6.386 -0.812 -11.260 411 HB2 ALA 51 2HB ALA 51 7.999 -1.209 -11.848 412 HB3 ALA 51 3HB ALA 51 6.717 -2.414 -11.916 413 H ASN 52 H ASN 52 5.513 0.734 -11.691 414 HA ASN 52 HA ASN 52 2.755 0.342 -12.147 415 HB2 ASN 52 2HB ASN 52 3.691 1.575 -10.203 416 HB3 ASN 52 1HB ASN 52 4.099 2.915 -11.274 417 HD21 ASN 52 1HD2 ASN 52 1.294 1.050 -10.001 418 HD22 ASN 52 2HD2 ASN 52 0.164 2.289 -10.273 419 H ILE 53 H ILE 53 4.958 2.688 -13.709 420 HA ILE 53 HA ILE 53 2.971 4.054 -15.211 421 HB ILE 53 HB ILE 53 5.857 3.473 -15.939 422 HG12 ILE 53 2HG1 ILE 53 4.624 5.897 -14.595 423 HG13 ILE 53 1HG1 ILE 53 5.482 4.620 -13.733 424 HG21 ILE 53 1HG2 ILE 53 5.022 5.954 -16.940 425 HG22 ILE 53 2HG2 ILE 53 3.702 4.843 -17.304 426 HG23 ILE 53 3HG2 ILE 53 5.332 4.490 -17.873 427 HD11 ILE 53 3HD1 ILE 53 6.858 6.690 -14.372 428 HD12 ILE 53 1HD1 ILE 53 6.743 6.116 -16.035 429 HD13 ILE 53 2HD1 ILE 53 7.539 5.125 -14.813 430 H LYS 54 H LYS 54 4.931 1.187 -16.024 431 HA LYS 54 HA LYS 54 3.898 0.795 -18.649 432 HB2 LYS 54 2HB LYS 54 5.887 -0.394 -17.693 433 HB3 LYS 54 1HB LYS 54 4.789 -1.348 -16.694 434 HG2 LYS 54 2HG LYS 54 3.649 -2.150 -18.751 435 HG3 LYS 54 1HG LYS 54 4.809 -1.247 -19.726 436 HD2 LYS 54 2HD LYS 54 6.653 -2.549 -18.632 437 HD3 LYS 54 1HD LYS 54 5.426 -3.527 -17.827 438 HE2 LYS 54 2HE LYS 54 4.483 -4.057 -20.114 439 HE3 LYS 54 1HE LYS 54 5.902 -3.272 -20.807 440 HZ1 LYS 54 3HZ LYS 54 6.866 -4.993 -18.887 441 HZ2 LYS 54 1HZ LYS 54 6.948 -5.195 -20.570 442 HZ3 LYS 54 2HZ LYS 54 5.658 -5.871 -19.695 443 H LYS 55 H LYS 55 2.719 -0.219 -15.473 444 HA LYS 55 HA LYS 55 0.162 -1.046 -16.789 445 HB2 LYS 55 2HB LYS 55 1.442 -3.025 -15.994 446 HB3 LYS 55 1HB LYS 55 1.471 -2.335 -14.372 447 HG2 LYS 55 2HG LYS 55 -1.002 -2.360 -14.321 448 HG3 LYS 55 1HG LYS 55 -1.023 -3.078 -15.933 449 HD2 LYS 55 2HD LYS 55 0.329 -4.991 -15.031 450 HD3 LYS 55 1HD LYS 55 0.152 -4.298 -13.418 451 HE2 LYS 55 2HE LYS 55 -1.976 -5.455 -15.211 452 HE3 LYS 55 1HE LYS 55 -1.615 -5.849 -13.530 453 HZ1 LYS 55 3HZ LYS 55 -3.583 -4.508 -13.629 454 HZ2 LYS 55 1HZ LYS 55 -2.791 -3.318 -14.542 455 HZ3 LYS 55 2HZ LYS 55 -2.336 -3.591 -12.928 456 H ASN 56 H ASN 56 -1.425 0.320 -16.124 457 HA ASN 56 HA ASN 56 -1.083 1.707 -13.514 458 HB2 ASN 56 2HB ASN 56 -1.582 3.042 -15.605 459 HB3 ASN 56 1HB ASN 56 -3.163 2.256 -15.649 460 HD21 ASN 56 1HD2 ASN 56 -1.087 3.962 -13.230 461 HD22 ASN 56 2HD2 ASN 56 -2.371 4.798 -12.499 462 H VAL 57 H VAL 57 -2.445 1.296 -11.823 463 HA VAL 57 HA VAL 57 -4.774 -0.508 -12.331 464 HB VAL 57 HB VAL 57 -2.886 -1.797 -11.396 465 HG11 VAL 57 1HG1 VAL 57 -3.063 -0.322 -8.815 466 HG12 VAL 57 2HG1 VAL 57 -2.189 0.473 -10.122 467 HG13 VAL 57 3HG1 VAL 57 -1.678 -1.118 -9.562 468 HG21 VAL 57 3HG2 VAL 57 -4.777 -1.439 -9.098 469 HG22 VAL 57 1HG2 VAL 57 -4.183 -2.928 -9.832 470 HG23 VAL 57 2HG2 VAL 57 -5.427 -1.979 -10.646 471 H LEU 58 H LEU 58 -6.578 -0.149 -10.990 472 HA LEU 58 HA LEU 58 -6.727 2.519 -9.789 473 HB2 LEU 58 2HB LEU 58 -8.658 1.594 -11.022 474 HB3 LEU 58 1HB LEU 58 -8.757 0.261 -9.871 475 HG LEU 58 HG LEU 58 -9.132 1.908 -8.038 476 HD11 LEU 58 1HD1 LEU 58 -9.940 4.216 -9.241 477 HD12 LEU 58 2HD1 LEU 58 -8.586 3.763 -10.277 478 HD13 LEU 58 3HD1 LEU 58 -8.337 3.982 -8.544 479 HD21 LEU 58 3HD2 LEU 58 -11.255 1.329 -8.552 480 HD22 LEU 58 1HD2 LEU 58 -10.919 1.359 -10.284 481 HD23 LEU 58 2HD2 LEU 58 -11.342 2.850 -9.442 482 H TRP 59 H TRP 59 -6.529 2.955 -7.622 483 HA TRP 59 HA TRP 59 -5.925 0.646 -5.866 484 HB2 TRP 59 2HB TRP 59 -5.470 3.623 -5.569 485 HB3 TRP 59 1HB TRP 59 -5.127 2.456 -4.288 486 HD1 TRP 59 HD TRP 59 -3.774 3.813 -7.516 487 HE1 TRP 59 1HE TRP 59 -1.554 2.631 -8.094 488 HE3 TRP 59 3HE TRP 59 -3.834 0.080 -4.042 489 HZ2 TRP 59 2HZ TRP 59 -0.010 0.397 -7.199 490 HZ3 TRP 59 3HZ TRP 59 -1.980 -1.552 -3.920 491 HH2 TRP 59 HH TRP 59 -0.068 -1.401 -5.494 492 H ASP 60 H ASP 60 -7.373 -0.070 -4.459 493 HA ASP 60 HA ASP 60 -9.274 1.696 -3.111 494 HB2 ASP 60 2HB ASP 60 -10.336 1.119 -5.361 495 HB3 ASP 60 1HB ASP 60 -10.376 -0.557 -4.811 496 H GLU 61 H GLU 61 -10.776 0.115 -1.692 497 HA GLU 61 HA GLU 61 -9.068 -1.357 0.010 498 HB2 GLU 61 2HB GLU 61 -12.045 -1.692 -0.465 499 HB3 GLU 61 1HB GLU 61 -11.163 -2.412 0.881 500 HG2 GLU 61 2HG GLU 61 -10.451 -0.142 1.600 501 HG3 GLU 61 1HG GLU 61 -11.414 0.550 0.294 502 H ASN 62 H ASN 62 -11.019 -2.461 -2.752 503 HA ASN 62 HA ASN 62 -10.383 -5.257 -2.406 504 HB2 ASN 62 2HB ASN 62 -12.317 -4.445 -3.742 505 HB3 ASN 62 1HB ASN 62 -11.193 -3.775 -4.925 506 HD21 ASN 62 1HD2 ASN 62 -10.235 -5.213 -6.437 507 HD22 ASN 62 2HD2 ASN 62 -10.557 -6.880 -6.472 508 H ASN 63 H ASN 63 -9.136 -2.790 -4.671 509 HA ASN 63 HA ASN 63 -7.133 -4.449 -5.831 510 HB2 ASN 63 2HB ASN 63 -7.963 -2.260 -6.744 511 HB3 ASN 63 1HB ASN 63 -7.012 -1.446 -5.500 512 HD21 ASN 63 1HD2 ASN 63 -4.871 -0.993 -6.046 513 HD22 ASN 63 2HD2 ASN 63 -4.021 -1.722 -7.320 514 H MET 64 H MET 64 -7.020 -2.298 -3.006 515 HA MET 64 HA MET 64 -4.218 -2.394 -2.570 516 HB2 MET 64 2HB MET 64 -6.528 -2.150 -0.631 517 HB3 MET 64 1HB MET 64 -4.841 -1.994 -0.140 518 HG2 MET 64 2HG MET 64 -5.932 -0.368 -2.428 519 HG3 MET 64 1HG MET 64 -6.140 0.170 -0.761 520 HE1 MET 64 3HE MET 64 -5.291 2.063 -1.808 521 HE2 MET 64 1HE MET 64 -3.614 2.448 -2.217 522 HE3 MET 64 2HE MET 64 -4.125 2.407 -0.531 523 H SER 65 H SER 65 -6.776 -4.634 -1.523 524 HA SER 65 HA SER 65 -5.043 -6.285 0.061 525 HB2 SER 65 2HB SER 65 -6.833 -7.939 -0.033 526 HB3 SER 65 1HB SER 65 -7.534 -6.341 0.194 527 HG SER 65 HG SER 65 -8.059 -6.291 -1.970 528 H GLU 66 H GLU 66 -5.943 -6.340 -3.371 529 HA GLU 66 HA GLU 66 -4.675 -8.847 -3.976 530 HB2 GLU 66 2HB GLU 66 -6.316 -7.689 -5.473 531 HB3 GLU 66 1HB GLU 66 -5.085 -6.473 -5.819 532 HG2 GLU 66 2HG GLU 66 -5.007 -8.104 -7.596 533 HG3 GLU 66 1HG GLU 66 -3.577 -8.347 -6.592 534 H HIS 67 H HIS 67 -3.527 -5.506 -3.888 535 HA HIS 67 HA HIS 67 -0.987 -5.906 -5.099 536 HB2 HIS 67 2HB HIS 67 -1.972 -3.690 -4.595 537 HB3 HIS 67 1HB HIS 67 -1.725 -3.984 -2.873 538 HD1 HIS 67 1HD HIS 67 0.434 -4.100 -6.020 539 HD2 HIS 67 2HD HIS 67 0.679 -2.905 -2.046 540 HE1 HIS 67 1HE HIS 67 2.751 -3.130 -5.715 541 HE2 HIS 67 2HE HIS 67 2.913 -2.402 -3.290 542 H LEU 68 H LEU 68 -1.962 -6.121 -1.680 543 HA LEU 68 HA LEU 68 0.667 -6.816 -0.732 544 HB2 LEU 68 2HB LEU 68 -2.050 -7.336 0.509 545 HB3 LEU 68 1HB LEU 68 -0.503 -7.427 1.346 546 HG LEU 68 HG LEU 68 -1.646 -4.949 0.029 547 HD11 LEU 68 1HD1 LEU 68 -2.854 -5.390 2.054 548 HD12 LEU 68 2HD1 LEU 68 -1.661 -4.151 2.443 549 HD13 LEU 68 3HD1 LEU 68 -1.375 -5.827 2.912 550 HD21 LEU 68 3HD2 LEU 68 0.613 -4.526 -0.097 551 HD22 LEU 68 1HD2 LEU 68 1.001 -5.651 1.204 552 HD23 LEU 68 2HD2 LEU 68 0.353 -4.055 1.581 553 H THR 69 H THR 69 -2.116 -8.732 -1.816 554 HA THR 69 HA THR 69 -1.214 -11.259 -0.880 555 HB THR 69 HB THR 69 -2.782 -10.748 -3.418 556 HG1 THR 69 1HG THR 69 -4.376 -11.376 -1.477 557 HG21 THR 69 3HG2 THR 69 -2.349 -13.111 -1.600 558 HG22 THR 69 1HG2 THR 69 -2.219 -13.032 -3.359 559 HG23 THR 69 2HG2 THR 69 -3.805 -12.985 -2.589 560 H ASN 70 H ASN 70 -0.470 -9.548 -3.908 561 HA ASN 70 HA ASN 70 1.903 -11.275 -4.226 562 HB2 ASN 70 2HB ASN 70 -0.478 -11.318 -6.046 563 HB3 ASN 70 1HB ASN 70 1.131 -11.523 -6.739 564 HD21 ASN 70 1HD2 ASN 70 -1.425 -13.244 -5.364 565 HD22 ASN 70 2HD2 ASN 70 -0.577 -14.643 -4.908 566 HA PRO 71 HA PRO 71 2.213 -6.734 -5.492 567 HB2 PRO 71 2HB PRO 71 4.613 -6.365 -4.136 568 HB3 PRO 71 1HB PRO 71 3.009 -5.946 -3.510 569 HG2 PRO 71 2HG PRO 71 4.716 -8.293 -2.923 570 HG3 PRO 71 1HG PRO 71 3.585 -7.420 -1.877 571 HD2 PRO 71 2HD PRO 71 3.009 -9.846 -2.982 572 HD3 PRO 71 1HD PRO 71 1.764 -8.647 -2.597 573 H ALA 72 H ALA 72 4.173 -9.561 -5.765 574 HA ALA 72 HA ALA 72 6.330 -8.411 -7.309 575 HB1 ALA 72 1HB ALA 72 6.400 -10.963 -8.101 576 HB2 ALA 72 2HB ALA 72 5.342 -11.162 -6.703 577 HB3 ALA 72 3HB ALA 72 6.953 -10.476 -6.497 578 H LYS 73 H LYS 73 4.095 -10.863 -8.603 579 HA LYS 73 HA LYS 73 4.366 -10.034 -11.297 580 HB2 LYS 73 2HB LYS 73 3.402 -12.220 -10.551 581 HB3 LYS 73 1HB LYS 73 1.942 -11.365 -10.052 582 HG2 LYS 73 2HG LYS 73 1.657 -10.539 -12.378 583 HG3 LYS 73 1HG LYS 73 3.077 -11.465 -12.863 584 HD2 LYS 73 2HD LYS 73 1.934 -13.540 -12.036 585 HD3 LYS 73 1HD LYS 73 0.487 -12.575 -11.743 586 HE2 LYS 73 2HE LYS 73 0.396 -13.715 -13.945 587 HE3 LYS 73 1HE LYS 73 0.390 -11.960 -14.117 588 HZ1 LYS 73 3HZ LYS 73 3.045 -12.911 -14.047 589 HZ2 LYS 73 1HZ LYS 73 2.252 -12.061 -15.282 590 HZ3 LYS 73 2HZ LYS 73 2.176 -13.758 -15.235 591 H TYR 74 H TYR 74 2.137 -8.962 -8.788 592 HA TYR 74 HA TYR 74 0.283 -7.526 -10.361 593 HB2 TYR 74 2HB TYR 74 0.010 -7.912 -7.961 594 HB3 TYR 74 1HB TYR 74 1.403 -6.892 -7.620 595 HD1 TYR 74 1HD TYR 74 -2.073 -6.887 -8.960 596 HD2 TYR 74 2HD TYR 74 1.235 -4.534 -7.572 597 HE1 TYR 74 1HE TYR 74 -3.538 -4.886 -8.851 598 HE2 TYR 74 2HE TYR 74 -0.224 -2.542 -7.464 599 HH TYR 74 HH TYR 74 -2.259 -1.764 -7.658 600 H ILE 75 H ILE 75 3.335 -6.325 -8.896 601 HA ILE 75 HA ILE 75 3.603 -4.445 -11.158 602 HB ILE 75 HB ILE 75 3.252 -3.579 -8.283 603 HG12 ILE 75 2HG1 ILE 75 2.228 -2.490 -10.928 604 HG13 ILE 75 1HG1 ILE 75 1.314 -3.538 -9.851 605 HG21 ILE 75 1HG2 ILE 75 5.137 -2.312 -8.598 606 HG22 ILE 75 2HG2 ILE 75 4.045 -1.285 -9.516 607 HG23 ILE 75 3HG2 ILE 75 5.065 -2.446 -10.352 608 HD11 ILE 75 3HD1 ILE 75 0.571 -1.393 -9.248 609 HD12 ILE 75 1HD1 ILE 75 2.178 -0.691 -9.414 610 HD13 ILE 75 2HD1 ILE 75 1.812 -1.733 -8.042 611 HA PRO 76 HA PRO 76 7.601 -6.189 -9.686 612 HB2 PRO 76 2HB PRO 76 8.261 -7.537 -11.931 613 HB3 PRO 76 1HB PRO 76 7.142 -8.206 -10.729 614 HG2 PRO 76 2HG PRO 76 6.581 -7.042 -13.387 615 HG3 PRO 76 1HG PRO 76 5.721 -8.309 -12.500 616 HD2 PRO 76 2HD PRO 76 4.970 -5.579 -12.680 617 HD3 PRO 76 1HD PRO 76 4.274 -6.797 -11.591 618 H GLY 77 H GLY 77 9.737 -5.469 -10.261 619 HA2 GLY 77 2HA GLY 77 11.316 -4.419 -11.771 620 HA3 GLY 77 1HA GLY 77 9.958 -3.737 -12.661 621 H THR 78 H THR 78 9.288 -3.376 -9.414 622 HA THR 78 HA THR 78 10.298 -0.569 -9.495 623 HB THR 78 HB THR 78 7.873 -0.757 -9.236 624 HG1 THR 78 1HG THR 78 9.341 0.022 -6.954 625 HG21 THR 78 3HG2 THR 78 7.826 -3.012 -8.236 626 HG22 THR 78 1HG2 THR 78 6.910 -1.859 -7.265 627 HG23 THR 78 2HG2 THR 78 8.520 -2.361 -6.751 628 H LYS 79 H LYS 79 10.713 0.274 -7.125 629 HA LYS 79 HA LYS 79 12.781 -1.498 -6.015 630 HB2 LYS 79 2HB LYS 79 11.951 1.315 -5.251 631 HB3 LYS 79 1HB LYS 79 13.360 0.462 -4.624 632 HG2 LYS 79 2HG LYS 79 14.186 0.220 -6.983 633 HG3 LYS 79 1HG LYS 79 12.849 1.245 -7.505 634 HD2 LYS 79 2HD LYS 79 14.917 2.068 -5.449 635 HD3 LYS 79 1HD LYS 79 14.987 2.509 -7.157 636 HE2 LYS 79 2HE LYS 79 12.579 3.416 -6.797 637 HE3 LYS 79 1HE LYS 79 12.973 3.355 -5.079 638 HZ1 LYS 79 3HZ LYS 79 15.006 4.555 -6.742 639 HZ2 LYS 79 1HZ LYS 79 14.372 5.074 -5.257 640 HZ3 LYS 79 2HZ LYS 79 13.540 5.415 -6.700 641 H MET 80 H MET 80 9.611 -1.648 -5.565 642 HA MET 80 HA MET 80 9.343 -1.357 -2.700 643 HB2 MET 80 2HB MET 80 7.698 -2.936 -4.700 644 HB3 MET 80 1HB MET 80 7.254 -2.713 -3.008 645 HG2 MET 80 2HG MET 80 7.859 -0.138 -3.922 646 HG3 MET 80 1HG MET 80 6.953 -0.873 -5.238 647 HE1 MET 80 3HE MET 80 4.625 -2.194 -4.826 648 HE2 MET 80 1HE MET 80 4.697 -0.542 -5.452 649 HE3 MET 80 2HE MET 80 3.476 -0.983 -4.261 650 H ALA 81 H ALA 81 10.211 -2.661 -1.195 651 HA ALA 81 HA ALA 81 11.033 -5.415 -1.995 652 HB1 ALA 81 1HB ALA 81 12.728 -3.765 -1.016 653 HB2 ALA 81 2HB ALA 81 12.628 -5.333 -0.217 654 HB3 ALA 81 3HB ALA 81 11.853 -3.924 0.506 655 H PHE 82 H PHE 82 8.291 -4.505 -1.222 656 HA PHE 82 HA PHE 82 7.855 -5.712 1.429 657 HB2 PHE 82 2HB PHE 82 6.574 -3.705 0.582 658 HB3 PHE 82 1HB PHE 82 5.806 -4.768 -0.596 659 HD1 PHE 82 1HD PHE 82 4.225 -6.502 0.105 660 HD2 PHE 82 2HD PHE 82 6.078 -3.889 2.963 661 HE1 PHE 82 1HE PHE 82 2.566 -7.195 1.811 662 HE2 PHE 82 2HE PHE 82 4.421 -4.583 4.671 663 HZ PHE 82 HZ PHE 82 2.664 -6.234 4.094 664 H GLY 83 H GLY 83 7.325 -7.834 1.714 665 HA2 GLY 83 2HA GLY 83 7.031 -9.540 -0.672 666 HA3 GLY 83 1HA GLY 83 7.195 -10.106 0.990 667 H GLY 84 H GLY 84 5.286 -11.419 -0.249 668 HA2 GLY 84 2HA GLY 84 2.718 -9.989 0.006 669 HA3 GLY 84 1HA GLY 84 2.924 -11.626 -0.616 670 H LEU 85 H LEU 85 1.017 -10.774 1.439 671 HA LEU 85 HA LEU 85 2.143 -12.029 3.892 672 HB2 LEU 85 2HB LEU 85 -0.521 -10.632 3.496 673 HB3 LEU 85 1HB LEU 85 0.184 -11.129 5.036 674 HG LEU 85 HG LEU 85 1.325 -9.069 3.125 675 HD11 LEU 85 1HD1 LEU 85 -0.685 -8.479 4.610 676 HD12 LEU 85 2HD1 LEU 85 0.740 -7.454 4.772 677 HD13 LEU 85 3HD1 LEU 85 0.404 -8.695 5.980 678 HD21 LEU 85 3HD2 LEU 85 2.406 -10.453 5.561 679 HD22 LEU 85 1HD2 LEU 85 2.837 -8.766 5.276 680 HD23 LEU 85 2HD2 LEU 85 3.242 -9.993 4.076 681 H LYS 86 H LYS 86 1.731 -14.150 4.221 682 HA LYS 86 HA LYS 86 0.015 -15.682 2.508 683 HB2 LYS 86 2HB LYS 86 1.179 -16.366 5.225 684 HB3 LYS 86 1HB LYS 86 0.435 -17.524 4.121 685 HG2 LYS 86 2HG LYS 86 2.124 -16.813 2.381 686 HG3 LYS 86 1HG LYS 86 2.936 -15.884 3.641 687 HD2 LYS 86 2HD LYS 86 2.381 -18.863 3.780 688 HD3 LYS 86 1HD LYS 86 3.933 -18.150 3.342 689 HE2 LYS 86 2HE LYS 86 3.447 -16.826 5.659 690 HE3 LYS 86 1HE LYS 86 2.630 -18.351 5.998 691 HZ1 LYS 86 3HZ LYS 86 4.913 -18.500 6.671 692 HZ2 LYS 86 1HZ LYS 86 5.450 -18.011 5.139 693 HZ3 LYS 86 2HZ LYS 86 4.672 -19.511 5.326 694 H LYS 87 H LYS 87 -0.467 -14.259 5.729 695 HA LYS 87 HA LYS 87 -3.156 -15.469 5.879 696 HB2 LYS 87 2HB LYS 87 -1.634 -13.690 7.800 697 HB3 LYS 87 1HB LYS 87 -3.246 -14.338 8.108 698 HG2 LYS 87 2HG LYS 87 -2.312 -16.646 7.770 699 HG3 LYS 87 1HG LYS 87 -0.703 -15.927 7.666 700 HD2 LYS 87 2HD LYS 87 -1.055 -14.916 9.922 701 HD3 LYS 87 1HD LYS 87 -2.598 -15.768 10.024 702 HE2 LYS 87 2HE LYS 87 -0.620 -16.933 11.140 703 HE3 LYS 87 1HE LYS 87 -1.524 -17.906 9.980 704 HZ1 LYS 87 3HZ LYS 87 0.882 -16.352 9.230 705 HZ2 LYS 87 1HZ LYS 87 0.113 -17.576 8.344 706 HZ3 LYS 87 2HZ LYS 87 0.962 -17.963 9.763 707 H GLU 88 H GLU 88 -4.960 -14.417 5.295 708 HA GLU 88 HA GLU 88 -4.811 -11.756 4.137 709 HB2 GLU 88 2HB GLU 88 -7.175 -13.553 4.753 710 HB3 GLU 88 1HB GLU 88 -7.276 -12.042 3.845 711 HG2 GLU 88 2HG GLU 88 -5.655 -12.949 2.196 712 HG3 GLU 88 1HG GLU 88 -5.635 -14.475 3.080 713 H LYS 89 H LYS 89 -5.798 -13.090 7.239 714 HA LYS 89 HA LYS 89 -7.382 -10.977 8.222 715 HB2 LYS 89 2HB LYS 89 -5.381 -12.696 9.714 716 HB3 LYS 89 1HB LYS 89 -6.620 -11.703 10.478 717 HG2 LYS 89 2HG LYS 89 -8.359 -12.968 9.203 718 HG3 LYS 89 1HG LYS 89 -7.088 -14.017 8.577 719 HD2 LYS 89 2HD LYS 89 -6.468 -14.597 10.929 720 HD3 LYS 89 1HD LYS 89 -7.842 -13.644 11.490 721 HE2 LYS 89 2HE LYS 89 -8.347 -16.094 11.301 722 HE3 LYS 89 1HE LYS 89 -9.396 -15.087 10.305 723 HZ1 LYS 89 3HZ LYS 89 -8.488 -17.060 9.144 724 HZ2 LYS 89 1HZ LYS 89 -6.932 -16.407 9.311 725 HZ3 LYS 89 2HZ LYS 89 -8.100 -15.589 8.389 726 H ASP 90 H ASP 90 -3.824 -11.343 8.485 727 HA ASP 90 HA ASP 90 -3.413 -8.816 9.768 728 HB2 ASP 90 2HB ASP 90 -1.577 -10.500 8.040 729 HB3 ASP 90 1HB ASP 90 -1.053 -9.092 8.960 730 H ARG 91 H ARG 91 -3.538 -9.818 6.387 731 HA ARG 91 HA ARG 91 -2.638 -7.422 5.169 732 HB2 ARG 91 2HB ARG 91 -3.057 -9.600 4.006 733 HB3 ARG 91 1HB ARG 91 -4.789 -9.306 4.161 734 HG2 ARG 91 2HG ARG 91 -4.488 -7.163 2.905 735 HG3 ARG 91 1HG ARG 91 -2.795 -7.596 2.656 736 HD2 ARG 91 2HD ARG 91 -5.188 -9.217 1.740 737 HD3 ARG 91 1HD ARG 91 -4.135 -8.256 0.704 738 HE ARG 91 HE ARG 91 -2.333 -9.924 1.859 739 HH11 ARG 91 1HH2 ARG 91 -5.460 -10.430 0.495 740 HH12 ARG 91 2HH2 ARG 91 -5.119 -12.046 -0.022 741 HH21 ARG 91 1HH1 ARG 91 -1.870 -12.031 1.191 742 HH22 ARG 91 2HH1 ARG 91 -3.086 -12.953 0.371 743 H ASN 92 H ASN 92 -5.917 -8.370 6.214 744 HA ASN 92 HA ASN 92 -7.274 -6.087 5.194 745 HB2 ASN 92 2HB ASN 92 -7.855 -7.872 7.569 746 HB3 ASN 92 1HB ASN 92 -8.961 -6.626 6.999 747 HD21 ASN 92 1HD2 ASN 92 -9.306 -6.804 4.431 748 HD22 ASN 92 2HD2 ASN 92 -9.595 -8.378 3.865 749 H ASP 93 H ASP 93 -5.603 -6.609 8.296 750 HA ASP 93 HA ASP 93 -6.438 -4.192 9.538 751 HB2 ASP 93 2HB ASP 93 -3.918 -5.838 9.876 752 HB3 ASP 93 1HB ASP 93 -4.412 -4.538 10.951 753 H LEU 94 H LEU 94 -3.674 -4.906 7.406 754 HA LEU 94 HA LEU 94 -2.347 -2.412 7.702 755 HB2 LEU 94 2HB LEU 94 -1.385 -4.399 6.536 756 HB3 LEU 94 1HB LEU 94 -2.501 -4.116 5.200 757 HG LEU 94 HG LEU 94 -1.538 -1.850 4.890 758 HD11 LEU 94 1HD1 LEU 94 0.823 -1.705 6.129 759 HD12 LEU 94 2HD1 LEU 94 -0.017 -2.702 7.317 760 HD13 LEU 94 3HD1 LEU 94 -0.654 -1.113 6.889 761 HD21 LEU 94 3HD2 LEU 94 0.972 -3.266 4.776 762 HD22 LEU 94 1HD2 LEU 94 -0.101 -2.819 3.451 763 HD23 LEU 94 2HD2 LEU 94 -0.337 -4.347 4.300 764 H ILE 95 H ILE 95 -4.934 -3.386 5.449 765 HA ILE 95 HA ILE 95 -5.013 -0.880 4.047 766 HB ILE 95 HB ILE 95 -7.216 -2.911 4.464 767 HG12 ILE 95 2HG1 ILE 95 -5.252 -2.597 2.173 768 HG13 ILE 95 1HG1 ILE 95 -5.107 -3.808 3.448 769 HG21 ILE 95 1HG2 ILE 95 -7.046 -0.362 3.032 770 HG22 ILE 95 2HG2 ILE 95 -8.465 -1.331 3.430 771 HG23 ILE 95 3HG2 ILE 95 -7.522 -1.700 1.987 772 HD11 ILE 95 3HD1 ILE 95 -6.527 -4.100 1.066 773 HD12 ILE 95 1HD1 ILE 95 -7.775 -3.789 2.272 774 HD13 ILE 95 2HD1 ILE 95 -6.659 -5.137 2.487 775 H THR 96 H THR 96 -6.691 -2.100 6.919 776 HA THR 96 HA THR 96 -8.538 0.040 7.228 777 HB THR 96 HB THR 96 -7.191 -1.508 9.456 778 HG1 THR 96 1HG THR 96 -8.188 -3.157 8.673 779 HG21 THR 96 3HG2 THR 96 -8.697 -0.542 10.824 780 HG22 THR 96 1HG2 THR 96 -10.019 -0.873 9.704 781 HG23 THR 96 2HG2 THR 96 -9.040 0.581 9.507 782 H TYR 97 H TYR 97 -5.186 -0.311 8.379 783 HA TYR 97 HA TYR 97 -5.089 2.024 9.981 784 HB2 TYR 97 2HB TYR 97 -3.321 0.259 9.868 785 HB3 TYR 97 1HB TYR 97 -2.848 0.883 8.289 786 HD1 TYR 97 1HD TYR 97 -3.213 1.807 11.879 787 HD2 TYR 97 2HD TYR 97 -1.449 2.785 8.090 788 HE1 TYR 97 1HE TYR 97 -1.795 3.518 12.982 789 HE2 TYR 97 2HE TYR 97 -0.033 4.500 9.188 790 HH TYR 97 HH TYR 97 0.442 5.549 11.085 791 H LEU 98 H LEU 98 -4.167 1.671 6.527 792 HA LEU 98 HA LEU 98 -3.753 4.518 6.207 793 HB2 LEU 98 2HB LEU 98 -4.158 2.307 4.171 794 HB3 LEU 98 1HB LEU 98 -3.707 3.963 3.762 795 HG LEU 98 HG LEU 98 -2.119 2.129 5.586 796 HD11 LEU 98 1HD1 LEU 98 -1.262 1.275 3.683 797 HD12 LEU 98 2HD1 LEU 98 -0.650 2.883 3.291 798 HD13 LEU 98 3HD1 LEU 98 -2.236 2.374 2.706 799 HD21 LEU 98 3HD2 LEU 98 -0.448 4.129 4.812 800 HD22 LEU 98 1HD2 LEU 98 -1.399 4.186 6.295 801 HD23 LEU 98 2HD2 LEU 98 -1.981 5.000 4.845 802 H LYS 99 H LYS 99 -6.451 2.317 5.607 803 HA LYS 99 HA LYS 99 -8.104 4.072 4.132 804 HB2 LYS 99 2HB LYS 99 -8.557 1.642 4.501 805 HB3 LYS 99 1HB LYS 99 -8.998 2.009 6.168 806 HG2 LYS 99 2HG LYS 99 -11.077 1.991 5.089 807 HG3 LYS 99 1HG LYS 99 -10.674 3.706 5.092 808 HD2 LYS 99 2HD LYS 99 -9.801 3.508 2.788 809 HD3 LYS 99 1HD LYS 99 -10.195 1.789 2.791 810 HE2 LYS 99 2HE LYS 99 -12.598 2.684 3.469 811 HE3 LYS 99 1HE LYS 99 -12.023 4.156 2.684 812 HZ1 LYS 99 3HZ LYS 99 -12.798 1.658 1.521 813 HZ2 LYS 99 1HZ LYS 99 -11.273 2.171 0.984 814 HZ3 LYS 99 2HZ LYS 99 -12.624 3.184 0.795 815 H LYS 100 H LYS 100 -7.890 3.652 7.689 816 HA LYS 100 HA LYS 100 -9.940 5.509 8.347 817 HB2 LYS 100 2HB LYS 100 -7.399 4.773 9.823 818 HB3 LYS 100 1HB LYS 100 -8.673 5.778 10.515 819 HG2 LYS 100 2HG LYS 100 -10.300 3.941 10.142 820 HG3 LYS 100 1HG LYS 100 -8.995 2.932 9.521 821 HD2 LYS 100 2HD LYS 100 -7.805 3.152 11.679 822 HD3 LYS 100 1HD LYS 100 -9.134 4.129 12.300 823 HE2 LYS 100 2HE LYS 100 -10.174 1.693 11.155 824 HE3 LYS 100 1HE LYS 100 -8.919 1.308 12.333 825 HZ1 LYS 100 3HZ LYS 100 -11.325 1.647 13.137 826 HZ2 LYS 100 1HZ LYS 100 -10.993 3.302 12.968 827 HZ3 LYS 100 2HZ LYS 100 -10.060 2.353 14.024 828 H ALA 101 H ALA 101 -6.438 6.014 8.042 829 HA ALA 101 HA ALA 101 -6.255 8.308 6.606 830 HB1 ALA 101 1HB ALA 101 -7.392 8.906 9.299 831 HB2 ALA 101 2HB ALA 101 -7.700 9.699 7.753 832 HB3 ALA 101 3HB ALA 101 -6.211 10.032 8.635 833 H THR 102 H THR 102 -4.379 6.638 6.823 834 HA THR 102 HA THR 102 -2.120 6.301 7.402 835 HB THR 102 HB THR 102 -0.862 8.214 7.741 836 HG1 THR 102 1HG THR 102 -1.295 9.631 9.290 837 HG21 THR 102 3HG2 THR 102 -3.306 9.833 7.213 838 HG22 THR 102 1HG2 THR 102 -2.918 8.564 6.053 839 HG23 THR 102 2HG2 THR 102 -1.751 9.842 6.384 840 H GLU 103 H GLU 103 -4.608 6.591 9.569 841 HA GLU 103 HA GLU 103 -2.889 5.976 11.923 842 HB2 GLU 103 2HB GLU 103 -5.787 6.852 11.740 843 HB3 GLU 103 1HB GLU 103 -4.979 6.412 13.245 844 HG2 GLU 103 2HG GLU 103 -3.291 8.188 12.836 845 HG3 GLU 103 1HG GLU 103 -4.160 8.654 11.375 846 HHA HEC 201 HA HEC 104 4.486 3.323 -6.046 847 HHB HEC 201 HB HEC 104 0.940 0.625 -1.585 848 HHC HEC 201 HC HEC 104 6.132 -0.538 1.837 849 HHD HEC 201 HD HEC 104 9.681 2.179 -2.639 850 HMA1 HEC 201 1HMA HEC 104 -0.211 2.465 -2.727 851 HMA2 HEC 201 2HMA HEC 104 -0.456 1.112 -3.830 852 HMA3 HEC 201 3HMA HEC 104 -0.360 2.754 -4.458 853 HAA1 HEC 201 1HAA HEC 104 2.401 1.977 -6.913 854 HAA2 HEC 201 2HAA HEC 104 0.782 2.367 -6.366 855 HBA1 HEC 201 1HBA HEC 104 2.521 4.079 -7.699 856 HBA2 HEC 201 2HBA HEC 104 2.616 4.611 -6.021 857 HMB1 HEC 201 1HMB HEC 104 0.735 -1.299 -0.439 858 HMB2 HEC 201 2HMB HEC 104 1.276 -2.039 1.055 859 HMB3 HEC 201 3HMB HEC 104 0.386 -0.518 1.099 860 HAB HEC 201 HAB HEC 104 4.417 -1.241 3.016 861 HBB1 HEC 201 1HBB HEC 104 2.395 -1.478 4.402 862 HBB2 HEC 201 2HBB HEC 104 2.308 -2.471 2.952 863 HBB3 HEC 201 3HBB HEC 104 1.406 -0.956 3.048 864 HMC1 HEC 201 1HMC HEC 104 8.656 -1.720 1.274 865 HMC2 HEC 201 2HMC HEC 104 8.410 -0.538 2.559 866 HMC3 HEC 201 3HMC HEC 104 9.951 -0.602 1.705 867 HAC HEC 201 HAC HEC 104 10.766 2.206 -0.729 868 HBC1 HEC 201 1HBC HEC 104 11.072 -0.595 -0.687 869 HBC2 HEC 201 2HBC HEC 104 12.339 0.608 -0.929 870 HBC3 HEC 201 3HBC HEC 104 11.990 0.008 0.693 871 HMD1 HEC 201 1HMD HEC 104 9.652 3.734 -6.091 872 HMD2 HEC 201 2HMD HEC 104 9.824 2.048 -5.602 873 HMD3 HEC 201 3HMD HEC 104 10.297 3.341 -4.497 874 HAD1 HEC 201 1HAD HEC 104 7.782 5.120 -6.386 875 HAD2 HEC 201 2HAD HEC 104 6.067 4.807 -6.570 876 HBD1 HEC 201 1HBD HEC 104 8.109 4.186 -8.388 877 HBD2 HEC 201 2HBD HEC 104 7.628 2.639 -7.695 Start of MODEL 5 1 H1 THR -5 1HT THR -5 -17.889 -10.931 4.186 2 H2 THR -5 2HT THR -5 -17.407 -11.690 2.745 3 H3 THR -5 3HT THR -5 -18.977 -11.058 2.891 4 HA THR -5 HA THR -5 -18.083 -9.343 1.751 5 HB THR -5 HB THR -5 -17.266 -7.602 3.333 6 HG1 THR -5 1HG THR -5 -17.299 -9.783 5.145 7 HG21 THR -5 1HG2 THR -5 -19.499 -9.229 4.565 8 HG22 THR -5 2HG2 THR -5 -19.708 -8.250 3.113 9 HG23 THR -5 3HG2 THR -5 -19.276 -7.481 4.639 10 H GLU -4 H GLU -4 -16.391 -9.144 0.370 11 HA GLU -4 HA GLU -4 -13.944 -10.545 0.651 12 HB2 GLU -4 2HB GLU -4 -14.852 -9.636 -1.501 13 HB3 GLU -4 1HB GLU -4 -14.404 -8.018 -0.960 14 HG2 GLU -4 2HG GLU -4 -12.042 -8.787 -0.730 15 HG3 GLU -4 1HG GLU -4 -12.517 -10.354 -1.384 16 H PHE -3 H PHE -3 -14.865 -7.283 1.639 17 HA PHE -3 HA PHE -3 -12.102 -6.822 2.647 18 HB2 PHE -3 2HB PHE -3 -13.175 -5.034 1.280 19 HB3 PHE -3 1HB PHE -3 -14.449 -4.908 2.493 20 HD1 PHE -3 1HD PHE -3 -10.817 -4.454 1.877 21 HD2 PHE -3 2HD PHE -3 -14.085 -3.788 4.585 22 HE1 PHE -3 1HE PHE -3 -9.398 -2.919 3.211 23 HE2 PHE -3 2HE PHE -3 -12.665 -2.253 5.920 24 HZ PHE -3 HZ PHE -3 -10.323 -1.819 5.232 25 H LYS -2 H LYS -2 -11.693 -7.021 4.801 26 HA LYS -2 HA LYS -2 -14.001 -7.507 6.610 27 HB2 LYS -2 2HB LYS -2 -11.041 -7.825 7.188 28 HB3 LYS -2 1HB LYS -2 -12.382 -8.458 8.140 29 HG2 LYS -2 2HG LYS -2 -11.787 -9.250 5.274 30 HG3 LYS -2 1HG LYS -2 -11.324 -10.193 6.688 31 HD2 LYS -2 2HD LYS -2 -13.800 -10.178 7.335 32 HD3 LYS -2 1HD LYS -2 -14.116 -9.565 5.712 33 HE2 LYS -2 2HE LYS -2 -13.203 -11.521 4.689 34 HE3 LYS -2 1HE LYS -2 -12.517 -12.081 6.214 35 HZ1 LYS -2 3HZ LYS -2 -14.422 -13.318 6.091 36 HZ2 LYS -2 1HZ LYS -2 -15.311 -12.100 5.314 37 HZ3 LYS -2 2HZ LYS -2 -14.984 -11.981 6.977 38 H ALA -1 H ALA -1 -14.392 -6.187 8.403 39 HA ALA -1 HA ALA -1 -13.605 -3.452 8.258 40 HB1 ALA -1 1HB ALA -1 -15.062 -3.169 9.983 41 HB2 ALA -1 2HB ALA -1 -14.308 -4.439 10.948 42 HB3 ALA -1 3HB ALA -1 -15.475 -4.859 9.694 43 H GLY 1 H GLY 1 -11.909 -2.340 9.213 44 HA2 GLY 1 2HA GLY 1 -9.461 -3.492 9.747 45 HA3 GLY 1 1HA GLY 1 -9.974 -1.997 10.530 46 H SER 2 H SER 2 -9.269 -5.309 11.015 47 HA SER 2 HA SER 2 -10.803 -5.927 13.311 48 HB2 SER 2 2HB SER 2 -7.931 -6.742 12.789 49 HB3 SER 2 1HB SER 2 -9.081 -7.569 13.835 50 HG SER 2 HG SER 2 -9.590 -8.617 12.088 51 H ALA 3 H ALA 3 -7.816 -4.044 12.991 52 HA ALA 3 HA ALA 3 -8.265 -2.464 15.277 53 HB1 ALA 3 1HB ALA 3 -6.873 -5.066 15.806 54 HB2 ALA 3 2HB ALA 3 -8.025 -4.192 16.814 55 HB3 ALA 3 3HB ALA 3 -6.357 -3.633 16.694 56 H LYS 4 H LYS 4 -5.702 -2.016 16.234 57 HA LYS 4 HA LYS 4 -4.465 -0.778 13.879 58 HB2 LYS 4 2HB LYS 4 -3.692 -0.743 16.811 59 HB3 LYS 4 1HB LYS 4 -2.908 0.211 15.552 60 HG2 LYS 4 2HG LYS 4 -5.118 1.254 15.027 61 HG3 LYS 4 1HG LYS 4 -5.818 0.376 16.387 62 HD2 LYS 4 2HD LYS 4 -4.151 1.468 17.895 63 HD3 LYS 4 1HD LYS 4 -3.583 2.420 16.523 64 HE2 LYS 4 2HE LYS 4 -6.100 2.663 18.081 65 HE3 LYS 4 1HE LYS 4 -5.140 3.913 17.289 66 HZ1 LYS 4 3HZ LYS 4 -6.054 3.393 15.214 67 HZ2 LYS 4 1HZ LYS 4 -7.378 3.382 16.275 68 HZ3 LYS 4 2HZ LYS 4 -6.695 1.916 15.756 69 H LYS 5 H LYS 5 -4.347 -3.837 14.983 70 HA LYS 5 HA LYS 5 -1.618 -4.479 15.332 71 HB2 LYS 5 2HB LYS 5 -3.526 -6.092 15.570 72 HB3 LYS 5 1HB LYS 5 -3.660 -6.133 13.813 73 HG2 LYS 5 2HG LYS 5 -1.303 -6.905 13.670 74 HG3 LYS 5 1HG LYS 5 -1.222 -6.925 15.432 75 HD2 LYS 5 2HD LYS 5 -3.149 -8.531 15.446 76 HD3 LYS 5 1HD LYS 5 -3.051 -8.595 13.686 77 HE2 LYS 5 2HE LYS 5 -0.716 -9.388 13.846 78 HE3 LYS 5 1HE LYS 5 -0.822 -9.334 15.606 79 HZ1 LYS 5 3HZ LYS 5 -1.589 -11.398 15.491 80 HZ2 LYS 5 1HZ LYS 5 -1.761 -11.330 13.803 81 HZ3 LYS 5 2HZ LYS 5 -3.014 -10.771 14.807 82 H GLY 6 H GLY 6 -3.499 -4.107 12.328 83 HA2 GLY 6 2HA GLY 6 -1.394 -4.785 10.525 84 HA3 GLY 6 1HA GLY 6 -2.769 -3.752 10.126 85 H ALA 7 H ALA 7 -2.107 -1.880 12.349 86 HA ALA 7 HA ALA 7 -0.539 -0.012 10.896 87 HB1 ALA 7 1HB ALA 7 -2.121 0.350 12.935 88 HB2 ALA 7 2HB ALA 7 -0.694 1.376 12.787 89 HB3 ALA 7 3HB ALA 7 -0.686 0.010 13.903 90 H THR 8 H THR 8 0.387 -2.177 13.585 91 HA THR 8 HA THR 8 3.106 -1.338 13.723 92 HB THR 8 HB THR 8 2.061 -4.140 14.235 93 HG1 THR 8 1HG THR 8 0.900 -3.207 15.701 94 HG21 THR 8 3HG2 THR 8 4.604 -2.919 14.457 95 HG22 THR 8 1HG2 THR 8 4.125 -4.521 15.015 96 HG23 THR 8 2HG2 THR 8 3.996 -3.134 16.097 97 H LEU 9 H LEU 9 1.478 -3.834 11.771 98 HA LEU 9 HA LEU 9 3.780 -4.950 10.541 99 HB2 LEU 9 2HB LEU 9 1.438 -5.820 10.286 100 HB3 LEU 9 1HB LEU 9 1.083 -4.445 9.240 101 HG LEU 9 HG LEU 9 3.388 -5.412 8.109 102 HD11 LEU 9 1HD1 LEU 9 1.755 -7.858 8.787 103 HD12 LEU 9 2HD1 LEU 9 3.134 -7.363 9.770 104 HD13 LEU 9 3HD1 LEU 9 3.366 -7.781 8.072 105 HD21 LEU 9 3HD2 LEU 9 1.950 -6.237 6.339 106 HD22 LEU 9 1HD2 LEU 9 1.208 -4.789 7.012 107 HD23 LEU 9 2HD2 LEU 9 0.589 -6.379 7.452 108 H PHE 10 H PHE 10 1.847 -2.096 9.758 109 HA PHE 10 HA PHE 10 3.216 -1.340 7.364 110 HB2 PHE 10 2HB PHE 10 1.041 -0.376 8.215 111 HB3 PHE 10 1HB PHE 10 1.962 0.487 9.441 112 HD1 PHE 10 2HD PHE 10 1.443 0.111 5.781 113 HD2 PHE 10 1HD PHE 10 3.193 2.460 8.921 114 HE1 PHE 10 2HE PHE 10 1.925 1.922 4.159 115 HE2 PHE 10 1HE PHE 10 3.664 4.271 7.297 116 HZ PHE 10 HZ PHE 10 3.041 3.999 4.920 117 H LYS 11 H LYS 11 3.680 -0.441 10.769 118 HA LYS 11 HA LYS 11 5.962 1.238 10.377 119 HB2 LYS 11 2HB LYS 11 4.501 1.042 12.469 120 HB3 LYS 11 1HB LYS 11 5.383 -0.441 12.827 121 HG2 LYS 11 2HG LYS 11 7.517 0.820 12.764 122 HG3 LYS 11 1HG LYS 11 6.614 2.306 12.470 123 HD2 LYS 11 2HD LYS 11 5.365 1.891 14.613 124 HD3 LYS 11 1HD LYS 11 6.450 0.536 14.924 125 HE2 LYS 11 2HE LYS 11 7.236 3.446 14.603 126 HE3 LYS 11 1HE LYS 11 7.303 2.493 16.086 127 HZ1 LYS 11 3HZ LYS 11 9.470 2.652 15.012 128 HZ2 LYS 11 1HZ LYS 11 8.845 1.931 13.610 129 HZ3 LYS 11 2HZ LYS 11 8.925 1.045 15.057 130 H THR 12 H THR 12 5.596 -2.230 10.935 131 HA THR 12 HA THR 12 8.361 -2.810 11.365 132 HB THR 12 HB THR 12 7.739 -5.133 10.979 133 HG1 THR 12 1HG THR 12 6.432 -5.242 9.309 134 HG21 THR 12 3HG2 THR 12 6.821 -4.984 13.026 135 HG22 THR 12 1HG2 THR 12 5.266 -4.661 12.256 136 HG23 THR 12 2HG2 THR 12 6.315 -3.322 12.720 137 H ARG 13 H ARG 13 6.438 -2.698 8.348 138 HA ARG 13 HA ARG 13 8.974 -2.524 6.864 139 HB2 ARG 13 2HB ARG 13 7.012 -4.791 6.444 140 HB3 ARG 13 1HB ARG 13 8.293 -4.378 5.306 141 HG2 ARG 13 2HG ARG 13 9.946 -4.657 7.199 142 HG3 ARG 13 1HG ARG 13 8.620 -5.292 8.176 143 HD2 ARG 13 2HD ARG 13 8.215 -7.014 6.393 144 HD3 ARG 13 1HD ARG 13 9.674 -6.446 5.582 145 HE ARG 13 HE ARG 13 10.923 -7.646 7.175 146 HH11 ARG 13 1HH2 ARG 13 7.745 -6.939 8.309 147 HH12 ARG 13 2HH2 ARG 13 7.925 -7.839 9.778 148 HH21 ARG 13 1HH1 ARG 13 11.178 -8.825 9.086 149 HH22 ARG 13 2HH1 ARG 13 9.868 -8.906 10.218 150 H CYS 14 H CYS 14 7.489 -0.390 6.869 151 HA CYS 14 HA CYS 14 6.579 -0.109 4.154 152 HB2 CYS 14 2HB CYS 14 4.645 -1.346 5.404 153 HB3 CYS 14 1HB CYS 14 4.337 0.233 6.124 154 H LEU 15 H LEU 15 6.224 1.194 7.452 155 HA LEU 15 HA LEU 15 5.823 3.904 6.726 156 HB2 LEU 15 2HB LEU 15 5.543 3.037 9.030 157 HB3 LEU 15 1HB LEU 15 7.287 2.820 9.150 158 HG LEU 15 HG LEU 15 7.466 5.336 8.609 159 HD11 LEU 15 1HD1 LEU 15 4.517 5.073 9.230 160 HD12 LEU 15 2HD1 LEU 15 5.257 5.814 7.809 161 HD13 LEU 15 3HD1 LEU 15 5.394 6.593 9.383 162 HD21 LEU 15 3HD2 LEU 15 6.085 4.543 11.184 163 HD22 LEU 15 1HD2 LEU 15 7.151 5.928 10.942 164 HD23 LEU 15 2HD2 LEU 15 7.800 4.290 10.858 165 H GLN 16 H GLN 16 8.810 2.036 7.084 166 HA GLN 16 HA GLN 16 10.655 4.181 6.938 167 HB2 GLN 16 2HB GLN 16 10.892 1.355 5.862 168 HB3 GLN 16 1HB GLN 16 12.243 2.478 6.037 169 HG2 GLN 16 2HG GLN 16 11.831 2.625 8.454 170 HG3 GLN 16 1HG GLN 16 10.453 1.536 8.296 171 HE21 GLN 16 1HE2 GLN 16 12.660 0.833 9.960 172 HE22 GLN 16 2HE2 GLN 16 13.473 -0.481 9.257 173 H CYS 17 H CYS 17 8.905 2.475 4.372 174 HA CYS 17 HA CYS 17 10.300 4.099 2.324 175 HB2 CYS 17 2HB CYS 17 8.263 1.870 2.099 176 HB3 CYS 17 1HB CYS 17 8.959 2.721 0.721 177 H HIS 18 H HIS 18 6.992 3.580 3.568 178 HA HIS 18 HA HIS 18 6.138 5.990 2.019 179 HB2 HIS 18 2HB HIS 18 4.581 3.658 3.179 180 HB3 HIS 18 1HB HIS 18 3.807 5.104 2.524 181 HD1 HIS 18 1HD HIS 18 4.557 5.661 -0.091 182 HD2 HIS 18 2HD HIS 18 5.193 1.782 1.292 183 HE1 HIS 18 1HE HIS 18 4.816 4.194 -2.152 184 H THR 19 H THR 19 5.882 7.829 3.175 185 HA THR 19 HA THR 19 5.850 7.703 6.121 186 HB THR 19 HB THR 19 6.187 10.089 6.044 187 HG1 THR 19 1HG THR 19 5.546 9.823 3.294 188 HG21 THR 19 3HG2 THR 19 7.817 9.638 3.688 189 HG22 THR 19 1HG2 THR 19 7.869 8.246 4.770 190 HG23 THR 19 2HG2 THR 19 8.317 9.843 5.367 191 H VAL 20 H VAL 20 3.620 8.223 3.494 192 HA VAL 20 HA VAL 20 1.327 8.733 3.477 193 HB VAL 20 HB VAL 20 1.145 7.711 6.290 194 HG11 VAL 20 1HG1 VAL 20 -0.420 7.029 3.787 195 HG12 VAL 20 2HG1 VAL 20 -0.845 8.362 4.862 196 HG13 VAL 20 3HG1 VAL 20 -0.879 6.703 5.459 197 HG21 VAL 20 3HG2 VAL 20 1.961 6.132 3.839 198 HG22 VAL 20 1HG2 VAL 20 1.249 5.379 5.266 199 HG23 VAL 20 2HG2 VAL 20 2.793 6.221 5.392 200 H GLU 21 H GLU 21 3.063 10.870 4.396 201 HA GLU 21 HA GLU 21 1.410 12.133 6.538 202 HB2 GLU 21 2HB GLU 21 4.120 12.909 5.414 203 HB3 GLU 21 1HB GLU 21 3.272 13.775 6.694 204 HG2 GLU 21 2HG GLU 21 3.276 11.708 8.069 205 HG3 GLU 21 1HG GLU 21 4.193 10.892 6.804 206 H LYS 22 H LYS 22 0.474 14.202 6.168 207 HA LYS 22 HA LYS 22 -0.502 14.693 3.534 208 HB2 LYS 22 2HB LYS 22 -1.404 16.756 4.428 209 HB3 LYS 22 1HB LYS 22 -1.552 15.517 5.673 210 HG2 LYS 22 2HG LYS 22 0.599 16.338 6.669 211 HG3 LYS 22 1HG LYS 22 0.591 17.655 5.495 212 HD2 LYS 22 2HD LYS 22 -1.732 18.246 6.364 213 HD3 LYS 22 1HD LYS 22 -1.424 17.121 7.686 214 HE2 LYS 22 2HE LYS 22 0.121 19.631 7.002 215 HE3 LYS 22 1HE LYS 22 -0.775 19.287 8.483 216 HZ1 LYS 22 3HZ LYS 22 1.900 18.648 7.842 217 HZ2 LYS 22 1HZ LYS 22 1.039 17.220 8.152 218 HZ3 LYS 22 2HZ LYS 22 1.081 18.456 9.318 219 H GLY 23 H GLY 23 2.259 16.023 5.310 220 HA2 GLY 23 2HA GLY 23 2.966 18.107 3.528 221 HA3 GLY 23 1HA GLY 23 4.121 17.220 4.524 222 H GLY 24 H GLY 24 3.398 14.632 3.291 223 HA2 GLY 24 2HA GLY 24 4.072 13.307 1.475 224 HA3 GLY 24 1HA GLY 24 3.805 14.721 0.458 225 HA PRO 25 HA PRO 25 8.305 15.371 2.138 226 HB2 PRO 25 2HB PRO 25 9.324 13.164 3.499 227 HB3 PRO 25 1HB PRO 25 8.690 14.632 4.262 228 HG2 PRO 25 2HG PRO 25 7.405 11.990 3.878 229 HG3 PRO 25 1HG PRO 25 7.242 13.148 5.208 230 HD2 PRO 25 2HD PRO 25 5.329 12.836 3.296 231 HD3 PRO 25 1HD PRO 25 5.620 14.387 4.112 232 H HIS 26 H HIS 26 7.132 12.263 1.048 233 HA HIS 26 HA HIS 26 7.917 10.798 -0.598 234 HB2 HIS 26 2HB HIS 26 9.313 13.321 -1.540 235 HB3 HIS 26 1HB HIS 26 9.087 11.858 -2.497 236 HD1 HIS 26 1HD HIS 26 6.362 11.071 -2.468 237 HD2 HIS 26 2HD HIS 26 7.273 15.118 -2.022 238 HE1 HIS 26 1HE HIS 26 4.254 12.347 -3.046 239 HE2 HIS 26 2HE HIS 26 4.796 14.812 -2.780 240 H LYS 27 H LYS 27 9.366 10.721 1.822 241 HA LYS 27 HA LYS 27 12.179 10.975 1.564 242 HB2 LYS 27 2HB LYS 27 10.966 10.469 3.701 243 HB3 LYS 27 1HB LYS 27 10.689 8.830 3.110 244 HG2 LYS 27 2HG LYS 27 13.143 8.514 2.895 245 HG3 LYS 27 1HG LYS 27 13.392 10.130 3.557 246 HD2 LYS 27 2HD LYS 27 12.161 9.433 5.616 247 HD3 LYS 27 1HD LYS 27 12.054 7.798 4.961 248 HE2 LYS 27 2HE LYS 27 14.760 9.039 5.022 249 HE3 LYS 27 1HE LYS 27 14.065 8.575 6.574 250 HZ1 LYS 27 3HZ LYS 27 15.126 6.661 5.881 251 HZ2 LYS 27 1HZ LYS 27 14.703 6.878 4.251 252 HZ3 LYS 27 2HZ LYS 27 13.528 6.386 5.374 253 H VAL 28 H VAL 28 9.972 8.408 0.556 254 HA VAL 28 HA VAL 28 12.114 7.332 -1.184 255 HB VAL 28 HB VAL 28 10.476 5.404 0.450 256 HG11 VAL 28 1HG1 VAL 28 12.007 3.832 -0.295 257 HG12 VAL 28 2HG1 VAL 28 13.308 5.013 -0.433 258 HG13 VAL 28 3HG1 VAL 28 12.039 4.954 -1.655 259 HG21 VAL 28 3HG2 VAL 28 11.584 6.873 2.080 260 HG22 VAL 28 1HG2 VAL 28 13.120 6.667 1.242 261 HG23 VAL 28 2HG2 VAL 28 12.370 5.295 2.057 262 H GLY 29 H GLY 29 8.951 6.015 -0.197 263 HA2 GLY 29 2HA GLY 29 8.152 5.643 -2.958 264 HA3 GLY 29 1HA GLY 29 7.127 5.384 -1.546 265 HA PRO 30 HA PRO 30 6.232 9.450 -4.000 266 HB2 PRO 30 2HB PRO 30 3.738 8.580 -4.899 267 HB3 PRO 30 1HB PRO 30 5.222 8.617 -5.867 268 HG2 PRO 30 2HG PRO 30 3.931 6.343 -4.469 269 HG3 PRO 30 1HG PRO 30 4.817 6.379 -6.003 270 HD2 PRO 30 2HD PRO 30 5.929 5.402 -3.729 271 HD3 PRO 30 1HD PRO 30 6.894 6.240 -4.966 272 H ASN 31 H ASN 31 5.195 7.705 -1.398 273 HA ASN 31 HA ASN 31 3.934 8.306 0.470 274 HB2 ASN 31 2HB ASN 31 4.692 10.788 -0.734 275 HB3 ASN 31 1HB ASN 31 3.023 10.925 -0.185 276 HD21 ASN 31 1HD2 ASN 31 6.199 11.255 0.866 277 HD22 ASN 31 2HD2 ASN 31 5.945 11.069 2.535 278 H LEU 32 H LEU 32 1.918 7.489 0.749 279 HA LEU 32 HA LEU 32 -0.051 7.783 -1.445 280 HB2 LEU 32 2HB LEU 32 -0.088 6.092 1.072 281 HB3 LEU 32 1HB LEU 32 -1.346 6.084 -0.162 282 HG LEU 32 HG LEU 32 0.399 5.448 -1.852 283 HD11 LEU 32 1HD1 LEU 32 2.498 5.997 -1.089 284 HD12 LEU 32 2HD1 LEU 32 2.440 4.335 -0.505 285 HD13 LEU 32 3HD1 LEU 32 2.089 5.664 0.594 286 HD21 LEU 32 3HD2 LEU 32 -0.200 3.713 0.542 287 HD22 LEU 32 1HD2 LEU 32 0.749 3.095 -0.809 288 HD23 LEU 32 2HD2 LEU 32 -0.907 3.642 -1.073 289 H HIS 33 H HIS 33 -1.977 8.891 -1.211 290 HA HIS 33 HA HIS 33 -3.021 9.724 1.355 291 HB2 HIS 33 2HB HIS 33 -1.110 11.320 1.101 292 HB3 HIS 33 1HB HIS 33 -1.828 11.890 -0.406 293 HD1 HIS 33 1HD HIS 33 -2.952 11.415 3.221 294 HD2 HIS 33 2HD HIS 33 -3.529 14.021 0.014 295 HE1 HIS 33 1HE HIS 33 -4.471 13.263 4.061 296 HE2 HIS 33 2HE HIS 33 -4.826 14.852 2.116 297 H GLY 34 H GLY 34 -4.978 8.904 0.543 298 HA2 GLY 34 2HA GLY 34 -7.121 9.416 -0.396 299 HA3 GLY 34 1HA GLY 34 -6.361 10.673 -1.377 300 H ILE 35 H ILE 35 -4.495 7.909 -1.502 301 HA ILE 35 HA ILE 35 -4.921 7.452 -4.271 302 HB ILE 35 HB ILE 35 -2.927 6.736 -2.824 303 HG12 ILE 35 2HG1 ILE 35 -4.052 4.532 -4.569 304 HG13 ILE 35 1HG1 ILE 35 -3.425 6.037 -5.243 305 HG21 ILE 35 1HG2 ILE 35 -4.468 5.543 -1.172 306 HG22 ILE 35 2HG2 ILE 35 -3.047 4.635 -1.690 307 HG23 ILE 35 3HG2 ILE 35 -4.627 4.272 -2.385 308 HD11 ILE 35 3HD1 ILE 35 -1.790 4.392 -3.316 309 HD12 ILE 35 1HD1 ILE 35 -1.237 5.614 -4.462 310 HD13 ILE 35 2HD1 ILE 35 -1.787 4.044 -5.045 311 H PHE 36 H PHE 36 -6.690 6.349 -1.499 312 HA PHE 36 HA PHE 36 -7.834 3.972 -2.603 313 HB2 PHE 36 2HB PHE 36 -8.795 5.931 -0.510 314 HB3 PHE 36 1HB PHE 36 -9.694 4.476 -0.929 315 HD1 PHE 36 2HD PHE 36 -6.586 5.784 0.578 316 HD2 PHE 36 1HD PHE 36 -8.863 2.267 -0.375 317 HE1 PHE 36 2HE PHE 36 -5.125 4.431 2.060 318 HE2 PHE 36 1HE PHE 36 -7.402 0.918 1.105 319 HZ PHE 36 HZ PHE 36 -5.534 2.000 2.319 320 H GLY 37 H GLY 37 -9.416 3.717 -4.113 321 HA2 GLY 37 2HA GLY 37 -11.168 4.245 -5.586 322 HA3 GLY 37 1HA GLY 37 -11.521 5.634 -4.558 323 H ARG 38 H ARG 38 -8.331 5.178 -5.953 324 HA ARG 38 HA ARG 38 -8.952 7.142 -8.080 325 HB2 ARG 38 2HB ARG 38 -6.814 7.584 -5.978 326 HB3 ARG 38 1HB ARG 38 -7.057 8.588 -7.409 327 HG2 ARG 38 2HG ARG 38 -9.443 8.949 -6.614 328 HG3 ARG 38 1HG ARG 38 -8.971 8.182 -5.098 329 HD2 ARG 38 2HD ARG 38 -8.686 10.512 -4.721 330 HD3 ARG 38 1HD ARG 38 -7.059 9.895 -5.018 331 HE ARG 38 HE ARG 38 -7.029 11.076 -7.082 332 HH11 ARG 38 1HH2 ARG 38 -10.139 11.008 -5.597 333 HH12 ARG 38 2HH2 ARG 38 -10.824 12.182 -6.669 334 HH21 ARG 38 1HH1 ARG 38 -7.907 12.608 -8.495 335 HH22 ARG 38 2HH1 ARG 38 -9.561 13.088 -8.310 336 H HIS 39 H HIS 39 -6.953 7.471 -9.508 337 HA HIS 39 HA HIS 39 -5.746 4.810 -9.971 338 HB2 HIS 39 2HB HIS 39 -5.794 7.328 -11.657 339 HB3 HIS 39 1HB HIS 39 -5.035 5.814 -12.146 340 HD1 HIS 39 1HD HIS 39 -8.390 7.401 -11.574 341 HD2 HIS 39 2HD HIS 39 -6.859 3.729 -12.828 342 HE1 HIS 39 1HE HIS 39 -10.346 6.093 -12.516 343 HE2 HIS 39 2HE HIS 39 -9.425 3.858 -13.283 344 H SER 40 H SER 40 -3.432 4.636 -10.413 345 HA SER 40 HA SER 40 -1.819 6.002 -8.466 346 HB2 SER 40 2HB SER 40 0.010 4.734 -9.351 347 HB3 SER 40 1HB SER 40 -1.405 3.693 -9.457 348 HG SER 40 HG SER 40 -1.224 5.229 -11.648 349 H GLY 41 H GLY 41 0.154 7.283 -9.036 350 HA2 GLY 41 2HA GLY 41 1.343 8.776 -10.516 351 HA3 GLY 41 1HA GLY 41 -0.066 8.797 -11.576 352 H GLN 42 H GLN 42 -1.547 9.081 -8.768 353 HA GLN 42 HA GLN 42 -2.089 11.870 -9.019 354 HB2 GLN 42 2HB GLN 42 -3.576 10.212 -7.866 355 HB3 GLN 42 1HB GLN 42 -2.422 10.172 -6.532 356 HG2 GLN 42 2HG GLN 42 -2.686 12.669 -6.326 357 HG3 GLN 42 1HG GLN 42 -3.985 12.574 -7.517 358 HE21 GLN 42 1HE2 GLN 42 -6.048 12.064 -6.730 359 HE22 GLN 42 2HE2 GLN 42 -6.365 11.501 -5.160 360 H ALA 43 H ALA 43 0.198 10.096 -6.967 361 HA ALA 43 HA ALA 43 0.967 12.227 -5.270 362 HB1 ALA 43 1HB ALA 43 2.704 10.864 -4.610 363 HB2 ALA 43 2HB ALA 43 3.081 10.366 -6.259 364 HB3 ALA 43 3HB ALA 43 1.702 9.660 -5.417 365 H GLU 44 H GLU 44 2.388 13.932 -5.512 366 HA GLU 44 HA GLU 44 3.674 14.255 -8.194 367 HB2 GLU 44 2HB GLU 44 2.376 16.413 -6.501 368 HB3 GLU 44 1HB GLU 44 3.195 16.668 -8.041 369 HG2 GLU 44 2HG GLU 44 1.561 15.141 -9.132 370 HG3 GLU 44 1HG GLU 44 0.712 14.989 -7.595 371 H GLY 45 H GLY 45 5.728 15.286 -8.162 372 HA2 GLY 45 2HA GLY 45 7.565 16.407 -7.057 373 HA3 GLY 45 1HA GLY 45 6.847 15.986 -5.503 374 H TYR 46 H TYR 46 6.496 13.211 -7.101 375 HA TYR 46 HA TYR 46 9.274 12.256 -6.539 376 HB2 TYR 46 2HB TYR 46 7.707 11.625 -4.693 377 HB3 TYR 46 1HB TYR 46 6.725 10.754 -5.872 378 HD1 TYR 46 1HD TYR 46 10.098 10.922 -4.312 379 HD2 TYR 46 2HD TYR 46 7.366 8.591 -6.669 380 HE1 TYR 46 1HE TYR 46 11.595 8.957 -4.103 381 HE2 TYR 46 2HE TYR 46 8.867 6.625 -6.461 382 HH TYR 46 HH TYR 46 11.401 6.286 -6.037 383 H SER 47 H SER 47 10.112 10.965 -8.128 384 HA SER 47 HA SER 47 8.723 10.719 -10.636 385 HB2 SER 47 2HB SER 47 11.193 9.255 -9.659 386 HB3 SER 47 1HB SER 47 10.661 9.370 -11.333 387 HG SER 47 HG SER 47 12.185 11.050 -10.015 388 H TYR 48 H TYR 48 8.078 8.712 -11.679 389 HA TYR 48 HA TYR 48 7.183 6.642 -9.714 390 HB2 TYR 48 2HB TYR 48 5.935 7.805 -12.170 391 HB3 TYR 48 1HB TYR 48 5.607 6.112 -11.797 392 HD1 TYR 48 1HD TYR 48 5.359 9.587 -10.503 393 HD2 TYR 48 2HD TYR 48 4.226 5.480 -9.946 394 HE1 TYR 48 1HE TYR 48 3.708 10.274 -8.784 395 HE2 TYR 48 2HE TYR 48 2.578 6.166 -8.228 396 HH TYR 48 HH TYR 48 1.650 7.857 -7.145 397 H THR 49 H THR 49 7.711 4.503 -10.118 398 HA THR 49 HA THR 49 9.921 3.981 -11.897 399 HB THR 49 HB THR 49 8.086 1.971 -10.560 400 HG1 THR 49 1HG THR 49 10.564 2.917 -9.603 401 HG21 THR 49 3HG2 THR 49 9.388 0.490 -11.644 402 HG22 THR 49 1HG2 THR 49 10.746 1.073 -10.681 403 HG23 THR 49 2HG2 THR 49 10.420 1.777 -12.264 404 H ASP 50 H ASP 50 9.916 2.867 -13.882 405 HA ASP 50 HA ASP 50 7.821 3.317 -15.680 406 HB2 ASP 50 2HB ASP 50 9.916 1.145 -15.685 407 HB3 ASP 50 1HB ASP 50 8.865 1.488 -17.056 408 H ALA 51 H ALA 51 8.359 0.527 -13.570 409 HA ALA 51 HA ALA 51 6.575 -1.345 -14.523 410 HB1 ALA 51 1HB ALA 51 6.423 -2.205 -12.339 411 HB2 ALA 51 2HB ALA 51 6.505 -0.603 -11.606 412 HB3 ALA 51 3HB ALA 51 7.949 -1.321 -12.318 413 H ASN 52 H ASN 52 5.438 0.821 -11.919 414 HA ASN 52 HA ASN 52 2.695 0.432 -12.406 415 HB2 ASN 52 2HB ASN 52 3.627 1.550 -10.389 416 HB3 ASN 52 1HB ASN 52 3.985 2.972 -11.369 417 HD21 ASN 52 1HD2 ASN 52 1.294 1.011 -10.052 418 HD22 ASN 52 2HD2 ASN 52 0.104 2.199 -10.292 419 H ILE 53 H ILE 53 4.844 2.908 -13.851 420 HA ILE 53 HA ILE 53 2.814 4.361 -15.195 421 HB ILE 53 HB ILE 53 5.661 3.839 -16.086 422 HG12 ILE 53 2HG1 ILE 53 4.477 6.103 -14.449 423 HG13 ILE 53 1HG1 ILE 53 5.460 4.793 -13.794 424 HG21 ILE 53 1HG2 ILE 53 5.113 5.065 -17.882 425 HG22 ILE 53 2HG2 ILE 53 4.717 6.406 -16.807 426 HG23 ILE 53 3HG2 ILE 53 3.468 5.256 -17.280 427 HD11 ILE 53 3HD1 ILE 53 7.032 6.506 -14.136 428 HD12 ILE 53 1HD1 ILE 53 6.283 7.019 -15.649 429 HD13 ILE 53 2HD1 ILE 53 7.206 5.517 -15.585 430 H LYS 54 H LYS 54 4.783 1.602 -16.353 431 HA LYS 54 HA LYS 54 3.571 1.417 -18.923 432 HB2 LYS 54 2HB LYS 54 4.814 -0.722 -17.172 433 HB3 LYS 54 1HB LYS 54 4.348 -0.976 -18.853 434 HG2 LYS 54 2HG LYS 54 5.841 0.910 -19.514 435 HG3 LYS 54 1HG LYS 54 6.365 1.048 -17.837 436 HD2 LYS 54 2HD LYS 54 7.119 -1.333 -17.919 437 HD3 LYS 54 1HD LYS 54 6.703 -1.369 -19.632 438 HE2 LYS 54 2HE LYS 54 8.278 0.952 -19.238 439 HE3 LYS 54 1HE LYS 54 9.096 -0.360 -18.388 440 HZ1 LYS 54 3HZ LYS 54 9.856 -0.404 -20.605 441 HZ2 LYS 54 1HZ LYS 54 8.288 -0.270 -21.237 442 HZ3 LYS 54 2HZ LYS 54 8.770 -1.702 -20.460 443 H LYS 55 H LYS 55 2.588 0.191 -15.769 444 HA LYS 55 HA LYS 55 0.011 -0.686 -17.015 445 HB2 LYS 55 2HB LYS 55 1.409 -2.632 -16.313 446 HB3 LYS 55 1HB LYS 55 1.433 -1.991 -14.671 447 HG2 LYS 55 2HG LYS 55 -1.040 -2.122 -14.590 448 HG3 LYS 55 1HG LYS 55 -1.047 -2.802 -16.218 449 HD2 LYS 55 2HD LYS 55 0.403 -4.671 -15.380 450 HD3 LYS 55 1HD LYS 55 0.214 -4.025 -13.749 451 HE2 LYS 55 2HE LYS 55 -2.379 -4.212 -14.955 452 HE3 LYS 55 1HE LYS 55 -1.555 -5.760 -15.155 453 HZ1 LYS 55 3HZ LYS 55 -2.014 -4.282 -12.626 454 HZ2 LYS 55 1HZ LYS 55 -0.996 -5.634 -12.749 455 HZ3 LYS 55 2HZ LYS 55 -2.657 -5.790 -13.071 456 H ASN 56 H ASN 56 -1.535 0.710 -16.298 457 HA ASN 56 HA ASN 56 -1.184 1.952 -13.621 458 HB2 ASN 56 2HB ASN 56 -1.763 3.286 -15.774 459 HB3 ASN 56 1HB ASN 56 -3.387 2.628 -15.563 460 HD21 ASN 56 1HD2 ASN 56 -2.218 2.774 -12.480 461 HD22 ASN 56 2HD2 ASN 56 -2.732 4.328 -12.037 462 H VAL 57 H VAL 57 -2.633 1.566 -11.960 463 HA VAL 57 HA VAL 57 -4.889 -0.305 -12.538 464 HB VAL 57 HB VAL 57 -2.959 -1.529 -11.565 465 HG11 VAL 57 1HG1 VAL 57 -2.542 0.782 -10.153 466 HG12 VAL 57 2HG1 VAL 57 -1.820 -0.772 -9.743 467 HG13 VAL 57 3HG1 VAL 57 -3.293 -0.239 -8.928 468 HG21 VAL 57 3HG2 VAL 57 -4.273 -2.761 -10.089 469 HG22 VAL 57 1HG2 VAL 57 -5.519 -1.862 -10.956 470 HG23 VAL 57 2HG2 VAL 57 -4.987 -1.321 -9.363 471 H LEU 58 H LEU 58 -6.733 -0.010 -11.238 472 HA LEU 58 HA LEU 58 -6.979 2.635 -9.994 473 HB2 LEU 58 2HB LEU 58 -8.846 1.673 -11.312 474 HB3 LEU 58 1HB LEU 58 -8.951 0.331 -10.172 475 HG LEU 58 HG LEU 58 -9.416 1.966 -8.343 476 HD11 LEU 58 1HD1 LEU 58 -8.842 3.832 -10.555 477 HD12 LEU 58 2HD1 LEU 58 -8.712 4.074 -8.813 478 HD13 LEU 58 3HD1 LEU 58 -10.275 4.239 -9.610 479 HD21 LEU 58 3HD2 LEU 58 -11.156 0.916 -10.120 480 HD22 LEU 58 1HD2 LEU 58 -11.439 2.629 -10.424 481 HD23 LEU 58 2HD2 LEU 58 -11.667 1.973 -8.804 482 H TRP 59 H TRP 59 -6.739 3.010 -7.812 483 HA TRP 59 HA TRP 59 -6.137 0.666 -6.123 484 HB2 TRP 59 2HB TRP 59 -5.803 3.642 -5.736 485 HB3 TRP 59 1HB TRP 59 -5.504 2.476 -4.444 486 HD1 TRP 59 HD TRP 59 -3.914 4.010 -7.422 487 HE1 TRP 59 1HE TRP 59 -1.671 2.845 -7.945 488 HE3 TRP 59 3HE TRP 59 -4.296 -0.032 -4.351 489 HZ2 TRP 59 2HZ TRP 59 -0.232 0.491 -7.158 490 HZ3 TRP 59 3HZ TRP 59 -2.480 -1.708 -4.241 491 HH2 TRP 59 HH TRP 59 -0.450 -1.449 -5.639 492 H ASP 60 H ASP 60 -7.683 -0.243 -4.997 493 HA ASP 60 HA ASP 60 -9.760 1.410 -3.671 494 HB2 ASP 60 2HB ASP 60 -10.285 -1.043 -5.386 495 HB3 ASP 60 1HB ASP 60 -11.481 -0.295 -4.327 496 H GLU 61 H GLU 61 -11.084 -0.373 -2.228 497 HA GLU 61 HA GLU 61 -9.204 -1.328 -0.307 498 HB2 GLU 61 2HB GLU 61 -12.092 -2.129 -0.773 499 HB3 GLU 61 1HB GLU 61 -11.156 -2.533 0.666 500 HG2 GLU 61 2HG GLU 61 -10.788 -0.114 1.079 501 HG3 GLU 61 1HG GLU 61 -11.799 0.261 -0.317 502 H ASN 62 H ASN 62 -10.872 -2.974 -2.979 503 HA ASN 62 HA ASN 62 -9.836 -5.598 -2.252 504 HB2 ASN 62 2HB ASN 62 -10.578 -5.308 -5.053 505 HB3 ASN 62 1HB ASN 62 -11.317 -6.306 -3.799 506 HD21 ASN 62 1HD2 ASN 62 -11.327 -3.020 -5.197 507 HD22 ASN 62 2HD2 ASN 62 -12.852 -2.590 -4.586 508 H ASN 63 H ASN 63 -8.957 -3.123 -4.661 509 HA ASN 63 HA ASN 63 -6.944 -4.606 -5.994 510 HB2 ASN 63 2HB ASN 63 -7.912 -2.324 -6.630 511 HB3 ASN 63 1HB ASN 63 -6.785 -1.640 -5.457 512 HD21 ASN 63 1HD2 ASN 63 -4.795 -1.070 -6.326 513 HD22 ASN 63 2HD2 ASN 63 -4.100 -1.762 -7.711 514 H MET 64 H MET 64 -6.708 -2.557 -3.086 515 HA MET 64 HA MET 64 -3.874 -2.793 -2.801 516 HB2 MET 64 2HB MET 64 -6.059 -2.301 -0.767 517 HB3 MET 64 1HB MET 64 -4.340 -2.257 -0.366 518 HG2 MET 64 2HG MET 64 -4.019 -0.547 -2.161 519 HG3 MET 64 1HG MET 64 -5.765 -0.524 -2.403 520 HE1 MET 64 3HE MET 64 -5.769 2.667 -1.091 521 HE2 MET 64 1HE MET 64 -4.961 1.735 -2.361 522 HE3 MET 64 2HE MET 64 -4.019 2.465 -1.061 523 H SER 65 H SER 65 -6.542 -4.810 -1.602 524 HA SER 65 HA SER 65 -4.983 -6.532 0.037 525 HB2 SER 65 2HB SER 65 -7.455 -7.132 -1.606 526 HB3 SER 65 1HB SER 65 -6.802 -8.202 -0.371 527 HG SER 65 HG SER 65 -8.200 -5.830 -0.142 528 H GLU 66 H GLU 66 -5.662 -6.654 -3.453 529 HA GLU 66 HA GLU 66 -4.277 -9.152 -3.881 530 HB2 GLU 66 2HB GLU 66 -5.021 -6.913 -5.782 531 HB3 GLU 66 1HB GLU 66 -4.391 -8.480 -6.283 532 HG2 GLU 66 2HG GLU 66 -6.298 -9.589 -5.138 533 HG3 GLU 66 1HG GLU 66 -6.948 -8.002 -4.727 534 H HIS 67 H HIS 67 -3.295 -5.762 -3.907 535 HA HIS 67 HA HIS 67 -0.828 -5.991 -5.260 536 HB2 HIS 67 2HB HIS 67 -1.879 -3.857 -4.555 537 HB3 HIS 67 1HB HIS 67 -1.459 -4.221 -2.884 538 HD1 HIS 67 1HD HIS 67 0.549 -4.388 -6.128 539 HD2 HIS 67 2HD HIS 67 0.801 -2.745 -2.312 540 HE1 HIS 67 1HE HIS 67 2.791 -3.211 -6.006 541 HE2 HIS 67 2HE HIS 67 2.957 -2.214 -3.679 542 H LEU 68 H LEU 68 -1.419 -6.273 -1.745 543 HA LEU 68 HA LEU 68 1.308 -7.032 -1.181 544 HB2 LEU 68 2HB LEU 68 -1.262 -7.202 0.396 545 HB3 LEU 68 1HB LEU 68 0.275 -7.777 1.037 546 HG LEU 68 HG LEU 68 1.254 -5.513 0.568 547 HD11 LEU 68 1HD1 LEU 68 -0.655 -3.720 0.370 548 HD12 LEU 68 2HD1 LEU 68 -1.580 -5.055 -0.310 549 HD13 LEU 68 3HD1 LEU 68 -0.082 -4.540 -1.083 550 HD21 LEU 68 3HD2 LEU 68 -0.461 -6.334 2.656 551 HD22 LEU 68 1HD2 LEU 68 -0.931 -4.678 2.269 552 HD23 LEU 68 2HD2 LEU 68 0.738 -5.039 2.709 553 H THR 69 H THR 69 -1.586 -8.787 -2.068 554 HA THR 69 HA THR 69 -0.889 -11.377 -1.184 555 HB THR 69 HB THR 69 -2.335 -10.693 -3.755 556 HG1 THR 69 1HG THR 69 -3.506 -11.198 -1.243 557 HG21 THR 69 3HG2 THR 69 -2.219 -13.125 -1.965 558 HG22 THR 69 1HG2 THR 69 -1.870 -13.027 -3.692 559 HG23 THR 69 2HG2 THR 69 -3.529 -12.866 -3.117 560 H ASN 70 H ASN 70 0.121 -9.673 -4.148 561 HA ASN 70 HA ASN 70 2.424 -11.446 -4.374 562 HB2 ASN 70 2HB ASN 70 0.254 -12.556 -5.448 563 HB3 ASN 70 1HB ASN 70 0.684 -11.520 -6.805 564 HD21 ASN 70 1HD2 ASN 70 1.998 -12.604 -8.269 565 HD22 ASN 70 2HD2 ASN 70 3.171 -13.762 -7.862 566 HA PRO 71 HA PRO 71 2.670 -6.996 -5.958 567 HB2 PRO 71 2HB PRO 71 5.315 -7.369 -4.659 568 HB3 PRO 71 1HB PRO 71 4.193 -6.002 -4.560 569 HG2 PRO 71 2HG PRO 71 4.533 -7.785 -2.565 570 HG3 PRO 71 1HG PRO 71 3.016 -6.921 -2.853 571 HD2 PRO 71 2HD PRO 71 3.650 -9.775 -3.315 572 HD3 PRO 71 1HD PRO 71 2.077 -8.991 -3.088 573 H ALA 72 H ALA 72 4.501 -9.932 -6.290 574 HA ALA 72 HA ALA 72 6.542 -9.063 -8.075 575 HB1 ALA 72 1HB ALA 72 7.072 -11.225 -7.745 576 HB2 ALA 72 2HB ALA 72 5.795 -11.654 -8.884 577 HB3 ALA 72 3HB ALA 72 5.448 -11.580 -7.155 578 H LYS 73 H LYS 73 3.807 -11.066 -9.192 579 HA LYS 73 HA LYS 73 3.984 -10.214 -11.891 580 HB2 LYS 73 2HB LYS 73 1.585 -11.251 -10.348 581 HB3 LYS 73 1HB LYS 73 1.661 -11.108 -12.105 582 HG2 LYS 73 2HG LYS 73 3.661 -12.604 -12.101 583 HG3 LYS 73 1HG LYS 73 3.459 -12.816 -10.361 584 HD2 LYS 73 2HD LYS 73 1.151 -13.679 -10.776 585 HD3 LYS 73 1HD LYS 73 1.460 -13.575 -12.509 586 HE2 LYS 73 2HE LYS 73 2.338 -15.646 -12.389 587 HE3 LYS 73 1HE LYS 73 3.673 -14.948 -11.471 588 HZ1 LYS 73 3HZ LYS 73 2.985 -16.051 -9.701 589 HZ2 LYS 73 1HZ LYS 73 1.697 -16.717 -10.581 590 HZ3 LYS 73 2HZ LYS 73 1.489 -15.249 -9.752 591 H TYR 74 H TYR 74 2.275 -8.841 -9.144 592 HA TYR 74 HA TYR 74 0.790 -6.910 -10.759 593 HB2 TYR 74 2HB TYR 74 0.047 -7.830 -8.524 594 HB3 TYR 74 1HB TYR 74 1.337 -6.893 -7.782 595 HD1 TYR 74 1HD TYR 74 1.254 -4.441 -7.729 596 HD2 TYR 74 2HD TYR 74 -1.925 -6.753 -9.463 597 HE1 TYR 74 1HE TYR 74 -0.237 -2.474 -7.633 598 HE2 TYR 74 2HE TYR 74 -3.412 -4.770 -9.371 599 HH TYR 74 HH TYR 74 -2.319 -1.753 -7.837 600 H ILE 75 H ILE 75 1.623 -4.999 -11.481 601 HA ILE 75 HA ILE 75 3.266 -3.361 -11.899 602 HB ILE 75 HB ILE 75 3.048 -3.364 -8.878 603 HG12 ILE 75 2HG1 ILE 75 1.959 -1.503 -11.018 604 HG13 ILE 75 1HG1 ILE 75 1.024 -2.752 -10.194 605 HG21 ILE 75 1HG2 ILE 75 3.961 -0.862 -9.621 606 HG22 ILE 75 2HG2 ILE 75 4.884 -1.924 -10.675 607 HG23 ILE 75 3HG2 ILE 75 4.959 -2.137 -8.926 608 HD11 ILE 75 3HD1 ILE 75 1.802 -1.586 -8.009 609 HD12 ILE 75 1HD1 ILE 75 0.536 -0.805 -8.958 610 HD13 ILE 75 2HD1 ILE 75 2.198 -0.224 -9.053 611 HA PRO 76 HA PRO 76 6.762 -6.268 -10.815 612 HB2 PRO 76 2HB PRO 76 7.232 -7.245 -13.304 613 HB3 PRO 76 1HB PRO 76 6.022 -7.953 -12.215 614 HG2 PRO 76 2HG PRO 76 5.648 -6.161 -14.552 615 HG3 PRO 76 1HG PRO 76 4.643 -7.504 -13.981 616 HD2 PRO 76 2HD PRO 76 4.091 -4.811 -13.528 617 HD3 PRO 76 1HD PRO 76 3.438 -6.155 -12.569 618 H GLY 77 H GLY 77 8.966 -5.740 -11.117 619 HA2 GLY 77 2HA GLY 77 10.819 -4.730 -12.258 620 HA3 GLY 77 1HA GLY 77 9.682 -3.885 -13.301 621 H THR 78 H THR 78 8.927 -3.730 -9.937 622 HA THR 78 HA THR 78 9.913 -0.911 -9.922 623 HB THR 78 HB THR 78 7.457 -1.244 -9.636 624 HG1 THR 78 1HG THR 78 8.876 0.405 -8.520 625 HG21 THR 78 3HG2 THR 78 6.680 -2.147 -7.437 626 HG22 THR 78 1HG2 THR 78 8.326 -2.682 -7.111 627 HG23 THR 78 2HG2 THR 78 7.430 -3.370 -8.464 628 H LYS 79 H LYS 79 10.969 -0.115 -8.037 629 HA LYS 79 HA LYS 79 12.866 -1.856 -6.841 630 HB2 LYS 79 2HB LYS 79 11.814 0.818 -5.860 631 HB3 LYS 79 1HB LYS 79 13.273 0.026 -5.264 632 HG2 LYS 79 2HG LYS 79 14.171 0.039 -7.605 633 HG3 LYS 79 1HG LYS 79 12.761 0.978 -8.096 634 HD2 LYS 79 2HD LYS 79 14.679 1.837 -5.912 635 HD3 LYS 79 1HD LYS 79 14.788 2.382 -7.586 636 HE2 LYS 79 2HE LYS 79 12.300 3.073 -7.296 637 HE3 LYS 79 1HE LYS 79 12.618 2.939 -5.568 638 HZ1 LYS 79 3HZ LYS 79 13.007 5.177 -6.793 639 HZ2 LYS 79 1HZ LYS 79 14.474 4.465 -7.257 640 HZ3 LYS 79 2HZ LYS 79 14.109 4.658 -5.610 641 H MET 80 H MET 80 9.612 -0.974 -5.893 642 HA MET 80 HA MET 80 9.667 -1.766 -3.169 643 HB2 MET 80 2HB MET 80 7.781 -0.567 -4.244 644 HB3 MET 80 1HB MET 80 7.388 -2.031 -5.142 645 HG2 MET 80 2HG MET 80 6.839 -3.224 -3.149 646 HG3 MET 80 1HG MET 80 7.548 -1.976 -2.125 647 HE1 MET 80 3HE MET 80 5.555 -0.701 -5.275 648 HE2 MET 80 1HE MET 80 3.911 -1.181 -4.836 649 HE3 MET 80 2HE MET 80 5.152 -2.405 -5.084 650 H ALA 81 H ALA 81 9.444 -3.747 -2.157 651 HA ALA 81 HA ALA 81 8.605 -6.150 -3.515 652 HB1 ALA 81 1HB ALA 81 11.555 -5.625 -3.179 653 HB2 ALA 81 2HB ALA 81 10.699 -6.226 -4.599 654 HB3 ALA 81 3HB ALA 81 10.920 -7.271 -3.196 655 H PHE 82 H PHE 82 7.334 -6.391 -1.634 656 HA PHE 82 HA PHE 82 8.691 -7.657 0.622 657 HB2 PHE 82 2HB PHE 82 8.929 -5.747 1.827 658 HB3 PHE 82 1HB PHE 82 7.853 -4.842 0.759 659 HD1 PHE 82 2HD PHE 82 8.029 -7.052 3.711 660 HD2 PHE 82 1HD PHE 82 5.452 -4.744 1.162 661 HE1 PHE 82 2HE PHE 82 6.191 -7.275 5.364 662 HE2 PHE 82 1HE PHE 82 3.616 -4.972 2.815 663 HZ PHE 82 HZ PHE 82 3.986 -6.237 4.917 664 H GLY 83 H GLY 83 5.653 -6.139 -0.465 665 HA2 GLY 83 2HA GLY 83 3.763 -7.381 1.087 666 HA3 GLY 83 1HA GLY 83 3.515 -7.131 -0.640 667 H GLY 84 H GLY 84 2.397 -9.333 0.633 668 HA2 GLY 84 2HA GLY 84 2.398 -11.530 -0.680 669 HA3 GLY 84 1HA GLY 84 4.115 -11.608 -0.280 670 H LEU 85 H LEU 85 1.365 -10.614 1.747 671 HA LEU 85 HA LEU 85 2.342 -12.396 3.885 672 HB2 LEU 85 2HB LEU 85 -0.087 -10.581 3.897 673 HB3 LEU 85 1HB LEU 85 0.752 -11.253 5.297 674 HG LEU 85 HG LEU 85 1.920 -9.288 3.304 675 HD11 LEU 85 1HD1 LEU 85 1.244 -7.646 4.690 676 HD12 LEU 85 2HD1 LEU 85 1.857 -8.507 6.103 677 HD13 LEU 85 3HD1 LEU 85 0.237 -8.850 5.498 678 HD21 LEU 85 3HD2 LEU 85 3.736 -9.234 5.166 679 HD22 LEU 85 1HD2 LEU 85 3.742 -10.595 4.042 680 HD23 LEU 85 2HD2 LEU 85 3.063 -10.790 5.657 681 H LYS 86 H LYS 86 1.294 -14.271 4.528 682 HA LYS 86 HA LYS 86 -0.811 -15.271 2.715 683 HB2 LYS 86 2HB LYS 86 0.680 -16.626 4.984 684 HB3 LYS 86 1HB LYS 86 -0.451 -17.425 3.890 685 HG2 LYS 86 2HG LYS 86 1.003 -16.657 1.969 686 HG3 LYS 86 1HG LYS 86 2.185 -16.120 3.164 687 HD2 LYS 86 2HD LYS 86 1.117 -18.951 2.959 688 HD3 LYS 86 1HD LYS 86 2.662 -18.415 2.298 689 HE2 LYS 86 2HE LYS 86 3.089 -17.534 4.733 690 HE3 LYS 86 1HE LYS 86 1.829 -18.687 5.172 691 HZ1 LYS 86 3HZ LYS 86 3.680 -19.994 5.299 692 HZ2 LYS 86 1HZ LYS 86 4.495 -19.179 4.055 693 HZ3 LYS 86 2HZ LYS 86 3.246 -20.266 3.679 694 H LYS 87 H LYS 87 -0.776 -13.510 5.551 695 HA LYS 87 HA LYS 87 -3.179 -14.856 6.652 696 HB2 LYS 87 2HB LYS 87 -1.470 -12.602 7.733 697 HB3 LYS 87 1HB LYS 87 -2.904 -13.235 8.541 698 HG2 LYS 87 2HG LYS 87 -1.835 -15.514 8.492 699 HG3 LYS 87 1HG LYS 87 -0.365 -14.750 7.886 700 HD2 LYS 87 2HD LYS 87 -0.354 -13.270 9.895 701 HD3 LYS 87 1HD LYS 87 -1.746 -14.158 10.514 702 HE2 LYS 87 2HE LYS 87 -0.450 -16.236 10.532 703 HE3 LYS 87 1HE LYS 87 0.938 -15.398 9.838 704 HZ1 LYS 87 3HZ LYS 87 0.152 -13.938 12.055 705 HZ2 LYS 87 1HZ LYS 87 1.549 -14.885 11.888 706 HZ3 LYS 87 2HZ LYS 87 0.136 -15.566 12.541 707 H GLU 88 H GLU 88 -5.165 -14.084 6.216 708 HA GLU 88 HA GLU 88 -5.456 -11.652 4.611 709 HB2 GLU 88 2HB GLU 88 -7.504 -13.583 5.740 710 HB3 GLU 88 1HB GLU 88 -7.880 -12.249 4.649 711 HG2 GLU 88 2HG GLU 88 -6.329 -13.214 2.965 712 HG3 GLU 88 1HG GLU 88 -6.033 -14.577 4.046 713 H LYS 89 H LYS 89 -6.302 -12.696 7.907 714 HA LYS 89 HA LYS 89 -7.796 -10.395 8.646 715 HB2 LYS 89 2HB LYS 89 -6.044 -12.196 10.342 716 HB3 LYS 89 1HB LYS 89 -7.193 -11.023 10.985 717 HG2 LYS 89 2HG LYS 89 -9.015 -12.177 9.727 718 HG3 LYS 89 1HG LYS 89 -7.849 -13.397 9.218 719 HD2 LYS 89 2HD LYS 89 -7.374 -13.885 11.623 720 HD3 LYS 89 1HD LYS 89 -8.651 -12.753 12.070 721 HE2 LYS 89 2HE LYS 89 -9.765 -14.475 10.119 722 HE3 LYS 89 1HE LYS 89 -8.891 -15.507 11.253 723 HZ1 LYS 89 3HZ LYS 89 -11.219 -13.814 11.695 724 HZ2 LYS 89 1HZ LYS 89 -10.081 -13.871 12.951 725 HZ3 LYS 89 2HZ LYS 89 -10.808 -15.304 12.399 726 H ASP 90 H ASP 90 -4.294 -11.048 9.045 727 HA ASP 90 HA ASP 90 -3.702 -8.515 10.241 728 HB2 ASP 90 2HB ASP 90 -1.975 -10.413 8.626 729 HB3 ASP 90 1HB ASP 90 -1.357 -9.019 9.505 730 H ARG 91 H ARG 91 -3.667 -9.631 6.869 731 HA ARG 91 HA ARG 91 -2.638 -7.242 5.707 732 HB2 ARG 91 2HB ARG 91 -2.834 -9.388 4.495 733 HB3 ARG 91 1HB ARG 91 -4.591 -9.240 4.527 734 HG2 ARG 91 2HG ARG 91 -4.427 -7.120 3.259 735 HG3 ARG 91 1HG ARG 91 -2.674 -7.300 3.203 736 HD2 ARG 91 2HD ARG 91 -3.741 -8.120 1.120 737 HD3 ARG 91 1HD ARG 91 -2.907 -9.412 1.979 738 HE ARG 91 HE ARG 91 -4.990 -10.472 2.216 739 HH11 ARG 91 1HH2 ARG 91 -5.348 -7.072 1.753 740 HH12 ARG 91 2HH2 ARG 91 -7.079 -7.125 1.740 741 HH21 ARG 91 1HH1 ARG 91 -7.245 -10.556 2.201 742 HH22 ARG 91 2HH1 ARG 91 -8.152 -9.096 1.991 743 H ASN 92 H ASN 92 -5.987 -8.230 6.431 744 HA ASN 92 HA ASN 92 -7.310 -6.059 5.192 745 HB2 ASN 92 2HB ASN 92 -8.052 -7.563 7.718 746 HB3 ASN 92 1HB ASN 92 -9.142 -6.533 6.795 747 HD21 ASN 92 1HD2 ASN 92 -8.500 -7.240 4.152 748 HD22 ASN 92 2HD2 ASN 92 -8.861 -8.880 3.901 749 H ASP 93 H ASP 93 -5.900 -6.303 8.459 750 HA ASP 93 HA ASP 93 -6.829 -3.772 9.393 751 HB2 ASP 93 2HB ASP 93 -4.369 -5.385 10.121 752 HB3 ASP 93 1HB ASP 93 -4.920 -3.967 11.008 753 H LEU 94 H LEU 94 -3.929 -4.719 7.583 754 HA LEU 94 HA LEU 94 -2.543 -2.251 7.740 755 HB2 LEU 94 2HB LEU 94 -1.575 -4.363 6.859 756 HB3 LEU 94 1HB LEU 94 -2.591 -4.207 5.426 757 HG LEU 94 HG LEU 94 -1.534 -1.994 4.962 758 HD11 LEU 94 1HD1 LEU 94 0.818 -2.007 6.355 759 HD12 LEU 94 2HD1 LEU 94 -0.299 -2.617 7.574 760 HD13 LEU 94 3HD1 LEU 94 -0.596 -1.055 6.808 761 HD21 LEU 94 3HD2 LEU 94 0.884 -3.587 5.111 762 HD22 LEU 94 1HD2 LEU 94 -0.049 -3.119 3.691 763 HD23 LEU 94 2HD2 LEU 94 -0.481 -4.573 4.590 764 H ILE 95 H ILE 95 -4.917 -3.354 5.289 765 HA ILE 95 HA ILE 95 -4.753 -0.954 3.724 766 HB ILE 95 HB ILE 95 -7.097 -2.848 3.988 767 HG12 ILE 95 2HG1 ILE 95 -4.771 -2.890 2.040 768 HG13 ILE 95 1HG1 ILE 95 -4.948 -3.986 3.411 769 HG21 ILE 95 1HG2 ILE 95 -6.270 -1.077 1.673 770 HG22 ILE 95 2HG2 ILE 95 -7.499 -0.625 2.854 771 HG23 ILE 95 3HG2 ILE 95 -7.751 -2.024 1.812 772 HD11 ILE 95 3HD1 ILE 95 -7.321 -4.446 2.340 773 HD12 ILE 95 1HD1 ILE 95 -5.892 -5.265 1.711 774 HD13 ILE 95 2HD1 ILE 95 -6.542 -3.856 0.872 775 H THR 96 H THR 96 -6.969 -1.950 6.328 776 HA THR 96 HA THR 96 -8.606 0.392 6.253 777 HB THR 96 HB THR 96 -7.984 -1.320 8.673 778 HG1 THR 96 1HG THR 96 -8.705 -2.404 6.673 779 HG21 THR 96 3HG2 THR 96 -9.445 0.060 9.680 780 HG22 THR 96 1HG2 THR 96 -10.683 -0.509 8.559 781 HG23 THR 96 2HG2 THR 96 -9.730 0.923 8.170 782 H TYR 97 H TYR 97 -5.635 -0.350 8.071 783 HA TYR 97 HA TYR 97 -5.649 1.934 9.748 784 HB2 TYR 97 2HB TYR 97 -4.093 0.039 10.037 785 HB3 TYR 97 1HB TYR 97 -3.244 0.521 8.566 786 HD1 TYR 97 2HD TYR 97 -4.145 1.595 12.008 787 HD2 TYR 97 1HD TYR 97 -1.687 2.338 8.565 788 HE1 TYR 97 2HE TYR 97 -2.804 3.222 13.316 789 HE2 TYR 97 1HE TYR 97 -0.347 3.965 9.872 790 HH TYR 97 HH TYR 97 -0.855 5.469 12.006 791 H LEU 98 H LEU 98 -4.277 1.573 6.450 792 HA LEU 98 HA LEU 98 -3.156 4.194 6.352 793 HB2 LEU 98 2HB LEU 98 -4.221 2.445 4.120 794 HB3 LEU 98 1HB LEU 98 -3.323 3.937 3.855 795 HG LEU 98 HG LEU 98 -2.305 1.496 5.345 796 HD11 LEU 98 1HD1 LEU 98 -1.729 0.773 3.286 797 HD12 LEU 98 2HD1 LEU 98 -0.658 2.171 3.157 798 HD13 LEU 98 3HD1 LEU 98 -2.313 2.266 2.550 799 HD21 LEU 98 3HD2 LEU 98 -1.088 3.176 6.354 800 HD22 LEU 98 1HD2 LEU 98 -1.318 4.293 5.009 801 HD23 LEU 98 2HD2 LEU 98 -0.124 3.002 4.889 802 H LYS 99 H LYS 99 -6.427 3.023 5.698 803 HA LYS 99 HA LYS 99 -7.469 5.361 4.496 804 HB2 LYS 99 2HB LYS 99 -8.789 3.400 6.397 805 HB3 LYS 99 1HB LYS 99 -9.657 4.620 5.473 806 HG2 LYS 99 2HG LYS 99 -8.721 3.635 3.373 807 HG3 LYS 99 1HG LYS 99 -8.002 2.349 4.345 808 HD2 LYS 99 2HD LYS 99 -10.255 1.744 5.187 809 HD3 LYS 99 1HD LYS 99 -10.960 2.995 4.162 810 HE2 LYS 99 2HE LYS 99 -10.504 1.837 2.201 811 HE3 LYS 99 1HE LYS 99 -9.164 0.942 2.917 812 HZ1 LYS 99 3HZ LYS 99 -10.858 -0.615 2.772 813 HZ2 LYS 99 1HZ LYS 99 -12.063 0.488 3.228 814 HZ3 LYS 99 2HZ LYS 99 -10.962 -0.094 4.385 815 H LYS 100 H LYS 100 -6.946 4.551 7.910 816 HA LYS 100 HA LYS 100 -8.266 6.787 9.070 817 HB2 LYS 100 2HB LYS 100 -5.795 5.287 9.986 818 HB3 LYS 100 1HB LYS 100 -6.711 6.414 10.989 819 HG2 LYS 100 2HG LYS 100 -8.734 5.009 10.690 820 HG3 LYS 100 1HG LYS 100 -7.779 3.862 9.745 821 HD2 LYS 100 2HD LYS 100 -6.290 3.500 11.668 822 HD3 LYS 100 1HD LYS 100 -7.223 4.657 12.614 823 HE2 LYS 100 2HE LYS 100 -7.964 2.406 13.179 824 HE3 LYS 100 1HE LYS 100 -9.246 3.216 12.280 825 HZ1 LYS 100 3HZ LYS 100 -8.736 0.906 11.539 826 HZ2 LYS 100 1HZ LYS 100 -7.223 1.460 11.012 827 HZ3 LYS 100 2HZ LYS 100 -8.643 2.077 10.312 828 H ALA 101 H ALA 101 -4.914 6.374 7.984 829 HA ALA 101 HA ALA 101 -3.990 8.971 8.717 830 HB1 ALA 101 1HB ALA 101 -2.250 7.539 8.127 831 HB2 ALA 101 2HB ALA 101 -2.389 8.512 6.664 832 HB3 ALA 101 3HB ALA 101 -3.114 6.904 6.725 833 H THR 102 H THR 102 -5.622 7.789 5.799 834 HA THR 102 HA THR 102 -5.375 10.276 4.344 835 HB THR 102 HB THR 102 -7.021 9.319 2.822 836 HG1 THR 102 1HG THR 102 -8.275 7.648 3.403 837 HG21 THR 102 3HG2 THR 102 -5.773 6.771 3.379 838 HG22 THR 102 1HG2 THR 102 -4.609 8.079 3.579 839 HG23 THR 102 2HG2 THR 102 -5.468 7.888 2.050 840 H GLU 103 H GLU 103 -7.655 8.990 6.683 841 HA GLU 103 HA GLU 103 -9.668 9.902 7.528 842 HB2 GLU 103 2HB GLU 103 -7.813 11.115 8.690 843 HB3 GLU 103 1HB GLU 103 -7.930 12.384 7.470 844 HG2 GLU 103 2HG GLU 103 -10.326 12.706 8.086 845 HG3 GLU 103 1HG GLU 103 -10.127 11.514 9.370 846 HHA HEC 201 HA HEC 104 4.314 2.858 -5.663 847 HHB HEC 201 HB HEC 104 0.861 0.026 -1.181 848 HHC HEC 201 HC HEC 104 6.132 -1.181 2.088 849 HHD HEC 201 HD HEC 104 9.584 1.521 -2.467 850 HMA1 HEC 201 1HMA HEC 104 -0.601 0.637 -3.625 851 HMA2 HEC 201 2HMA HEC 104 -0.482 2.387 -3.808 852 HMA3 HEC 201 3HMA HEC 104 -0.351 1.657 -2.209 853 HAA1 HEC 201 1HAA HEC 104 2.043 1.534 -6.496 854 HAA2 HEC 201 2HAA HEC 104 0.543 2.161 -5.834 855 HBA1 HEC 201 1HBA HEC 104 2.685 3.599 -7.098 856 HBA2 HEC 201 2HBA HEC 104 2.470 4.189 -5.450 857 HMB1 HEC 201 1HMB HEC 104 1.269 -2.665 1.439 858 HMB2 HEC 201 2HMB HEC 104 0.365 -1.151 1.442 859 HMB3 HEC 201 3HMB HEC 104 0.729 -1.962 -0.078 860 HAB HEC 201 HAB HEC 104 4.430 -2.027 3.248 861 HBB1 HEC 201 1HBB HEC 104 2.433 -1.932 4.758 862 HBB2 HEC 201 2HBB HEC 104 2.246 -3.017 3.385 863 HBB3 HEC 201 3HBB HEC 104 1.470 -1.431 3.377 864 HMC1 HEC 201 1HMC HEC 104 8.425 -1.205 2.752 865 HMC2 HEC 201 2HMC HEC 104 9.944 -1.274 1.859 866 HMC3 HEC 201 3HMC HEC 104 8.633 -2.382 1.455 867 HAC HEC 201 HAC HEC 104 10.703 1.555 -0.574 868 HBC1 HEC 201 1HBC HEC 104 12.089 -0.171 -1.015 869 HBC2 HEC 201 2HBC HEC 104 12.178 -0.424 0.727 870 HBC3 HEC 201 3HBC HEC 104 11.004 -1.322 -0.235 871 HMD1 HEC 201 1HMD HEC 104 9.451 3.029 -5.952 872 HMD2 HEC 201 2HMD HEC 104 9.668 1.393 -5.328 873 HMD3 HEC 201 3HMD HEC 104 10.152 2.782 -4.353 874 HAD1 HEC 201 1HAD HEC 104 7.694 4.472 -6.181 875 HAD2 HEC 201 2HAD HEC 104 5.942 4.405 -6.076 876 HBD1 HEC 201 1HBD HEC 104 7.773 3.080 -7.997 877 HBD2 HEC 201 2HBD HEC 104 6.373 2.144 -7.475 Start of MODEL 6 1 H1 THR -5 1HT THR -5 -16.400 -7.958 -4.438 2 H2 THR -5 2HT THR -5 -15.094 -9.041 -4.345 3 H3 THR -5 3HT THR -5 -14.979 -7.503 -3.632 4 HA THR -5 HA THR -5 -17.083 -9.374 -2.770 5 HB THR -5 HB THR -5 -15.656 -10.509 -1.310 6 HG1 THR -5 1HG THR -5 -13.790 -9.668 -0.561 7 HG21 THR -5 1HG2 THR -5 -13.637 -9.946 -3.468 8 HG22 THR -5 2HG2 THR -5 -15.120 -10.823 -3.839 9 HG23 THR -5 3HG2 THR -5 -13.987 -11.470 -2.652 10 H GLU -4 H GLU -4 -16.482 -8.931 -0.040 11 HA GLU -4 HA GLU -4 -17.061 -6.004 0.166 12 HB2 GLU -4 2HB GLU -4 -17.802 -8.264 2.049 13 HB3 GLU -4 1HB GLU -4 -18.220 -6.566 2.274 14 HG2 GLU -4 2HG GLU -4 -19.453 -6.612 0.112 15 HG3 GLU -4 1HG GLU -4 -19.093 -8.333 -0.031 16 H PHE -3 H PHE -3 -16.091 -4.854 1.958 17 HA PHE -3 HA PHE -3 -13.491 -6.045 2.777 18 HB2 PHE -3 2HB PHE -3 -13.446 -3.827 1.672 19 HB3 PHE -3 1HB PHE -3 -14.473 -3.180 2.952 20 HD1 PHE -3 2HD PHE -3 -11.174 -4.796 2.300 21 HD2 PHE -3 1HD PHE -3 -13.554 -2.476 5.020 22 HE1 PHE -3 2HE PHE -3 -9.170 -4.385 3.702 23 HE2 PHE -3 1HE PHE -3 -11.549 -2.064 6.422 24 HZ PHE -3 HZ PHE -3 -9.359 -3.020 5.764 25 H LYS -2 H LYS -2 -13.202 -6.699 4.858 26 HA LYS -2 HA LYS -2 -15.390 -6.213 6.787 27 HB2 LYS -2 2HB LYS -2 -14.291 -8.492 6.427 28 HB3 LYS -2 1HB LYS -2 -12.873 -7.829 7.239 29 HG2 LYS -2 2HG LYS -2 -14.420 -7.190 9.156 30 HG3 LYS -2 1HG LYS -2 -15.657 -8.174 8.374 31 HD2 LYS -2 2HD LYS -2 -12.908 -9.190 9.150 32 HD3 LYS -2 1HD LYS -2 -14.362 -9.422 10.121 33 HE2 LYS -2 2HE LYS -2 -15.217 -10.287 7.666 34 HE3 LYS -2 1HE LYS -2 -13.524 -10.776 7.636 35 HZ1 LYS -2 3HZ LYS -2 -15.294 -11.339 9.940 36 HZ2 LYS -2 1HZ LYS -2 -13.790 -12.035 9.579 37 HZ3 LYS -2 2HZ LYS -2 -15.147 -12.407 8.627 38 H ALA -1 H ALA -1 -15.216 -4.773 8.461 39 HA ALA -1 HA ALA -1 -13.270 -2.763 8.562 40 HB1 ALA -1 1HB ALA -1 -15.455 -2.803 9.832 41 HB2 ALA -1 2HB ALA -1 -14.075 -2.248 10.778 42 HB3 ALA -1 3HB ALA -1 -14.688 -3.887 10.992 43 H GLY 1 H GLY 1 -11.132 -3.433 8.456 44 HA2 GLY 1 2HA GLY 1 -10.059 -5.631 9.963 45 HA3 GLY 1 1HA GLY 1 -9.105 -4.374 9.176 46 H SER 2 H SER 2 -8.849 -5.598 11.908 47 HA SER 2 HA SER 2 -9.687 -3.817 13.944 48 HB2 SER 2 2HB SER 2 -7.077 -5.359 13.837 49 HB3 SER 2 1HB SER 2 -7.869 -4.746 15.287 50 HG SER 2 HG SER 2 -8.539 -6.814 15.136 51 H ALA 3 H ALA 3 -6.994 -3.637 11.684 52 HA ALA 3 HA ALA 3 -5.743 -1.747 11.052 53 HB1 ALA 3 1HB ALA 3 -6.821 0.004 13.179 54 HB2 ALA 3 2HB ALA 3 -8.015 -0.629 12.047 55 HB3 ALA 3 3HB ALA 3 -6.646 0.309 11.450 56 H LYS 4 H LYS 4 -6.152 -2.515 14.474 57 HA LYS 4 HA LYS 4 -3.846 -1.179 15.471 58 HB2 LYS 4 2HB LYS 4 -5.104 -3.790 16.370 59 HB3 LYS 4 1HB LYS 4 -3.910 -2.877 17.296 60 HG2 LYS 4 2HG LYS 4 -5.453 -0.912 17.269 61 HG3 LYS 4 1HG LYS 4 -6.661 -1.914 16.463 62 HD2 LYS 4 2HD LYS 4 -6.555 -3.508 18.389 63 HD3 LYS 4 1HD LYS 4 -5.464 -2.389 19.207 64 HE2 LYS 4 2HE LYS 4 -7.259 -1.282 19.989 65 HE3 LYS 4 1HE LYS 4 -7.665 -0.843 18.330 66 HZ1 LYS 4 3HZ LYS 4 -9.388 -2.119 19.682 67 HZ2 LYS 4 1HZ LYS 4 -8.402 -3.477 19.444 68 HZ3 LYS 4 2HZ LYS 4 -9.065 -2.665 18.107 69 H LYS 5 H LYS 5 -4.196 -4.557 14.323 70 HA LYS 5 HA LYS 5 -1.396 -5.167 14.528 71 HB2 LYS 5 2HB LYS 5 -3.553 -6.367 12.761 72 HB3 LYS 5 1HB LYS 5 -1.946 -7.058 12.989 73 HG2 LYS 5 2HG LYS 5 -2.389 -7.177 15.445 74 HG3 LYS 5 1HG LYS 5 -4.032 -6.611 15.143 75 HD2 LYS 5 2HD LYS 5 -4.385 -8.566 13.627 76 HD3 LYS 5 1HD LYS 5 -2.782 -9.156 14.069 77 HE2 LYS 5 2HE LYS 5 -4.161 -10.312 15.568 78 HE3 LYS 5 1HE LYS 5 -3.652 -8.920 16.525 79 HZ1 LYS 5 3HZ LYS 5 -6.260 -9.637 15.625 80 HZ2 LYS 5 1HZ LYS 5 -5.857 -8.059 15.152 81 HZ3 LYS 5 2HZ LYS 5 -5.798 -8.494 16.793 82 H GLY 6 H GLY 6 -3.420 -3.906 11.909 83 HA2 GLY 6 2HA GLY 6 -1.435 -3.948 9.859 84 HA3 GLY 6 1HA GLY 6 -2.840 -2.881 9.882 85 H ALA 7 H ALA 7 -2.150 -1.620 12.425 86 HA ALA 7 HA ALA 7 -0.561 0.534 11.472 87 HB1 ALA 7 1HB ALA 7 -2.108 0.679 13.426 88 HB2 ALA 7 2HB ALA 7 -0.496 1.293 13.798 89 HB3 ALA 7 3HB ALA 7 -0.980 -0.309 14.356 90 H THR 8 H THR 8 0.311 -2.229 13.551 91 HA THR 8 HA THR 8 3.110 -1.451 13.659 92 HB THR 8 HB THR 8 3.432 -3.597 14.771 93 HG1 THR 8 1HG THR 8 0.948 -4.533 14.775 94 HG21 THR 8 3HG2 THR 8 1.753 -3.387 16.576 95 HG22 THR 8 1HG2 THR 8 0.796 -2.322 15.546 96 HG23 THR 8 2HG2 THR 8 2.393 -1.815 16.099 97 H LEU 9 H LEU 9 1.157 -3.713 11.735 98 HA LEU 9 HA LEU 9 3.308 -4.991 10.357 99 HB2 LEU 9 2HB LEU 9 0.686 -5.418 10.335 100 HB3 LEU 9 1HB LEU 9 0.734 -4.331 8.951 101 HG LEU 9 HG LEU 9 0.946 -6.574 8.103 102 HD11 LEU 9 1HD1 LEU 9 3.785 -5.556 8.181 103 HD12 LEU 9 2HD1 LEU 9 2.531 -4.733 7.252 104 HD13 LEU 9 3HD1 LEU 9 2.959 -6.398 6.872 105 HD21 LEU 9 3HD2 LEU 9 2.286 -7.023 10.564 106 HD22 LEU 9 1HD2 LEU 9 3.438 -7.396 9.282 107 HD23 LEU 9 2HD2 LEU 9 1.876 -8.212 9.331 108 H PHE 10 H PHE 10 1.469 -2.042 9.715 109 HA PHE 10 HA PHE 10 2.796 -1.323 7.271 110 HB2 PHE 10 2HB PHE 10 0.635 -0.342 8.088 111 HB3 PHE 10 1HB PHE 10 1.531 0.484 9.358 112 HD1 PHE 10 2HD PHE 10 1.048 0.231 5.685 113 HD2 PHE 10 1HD PHE 10 2.827 2.444 8.908 114 HE1 PHE 10 2HE PHE 10 1.570 2.087 4.124 115 HE2 PHE 10 1HE PHE 10 3.339 4.298 7.348 116 HZ PHE 10 HZ PHE 10 2.718 4.124 4.962 117 H LYS 11 H LYS 11 3.305 -0.425 10.667 118 HA LYS 11 HA LYS 11 5.548 1.289 10.259 119 HB2 LYS 11 2HB LYS 11 4.155 1.058 12.373 120 HB3 LYS 11 1HB LYS 11 5.031 -0.436 12.690 121 HG2 LYS 11 2HG LYS 11 7.173 0.812 12.615 122 HG3 LYS 11 1HG LYS 11 6.274 2.310 12.363 123 HD2 LYS 11 2HD LYS 11 5.061 1.871 14.518 124 HD3 LYS 11 1HD LYS 11 6.129 0.494 14.786 125 HE2 LYS 11 2HE LYS 11 7.877 2.567 14.156 126 HE3 LYS 11 1HE LYS 11 6.653 3.343 15.160 127 HZ1 LYS 11 3HZ LYS 11 7.844 2.509 16.840 128 HZ2 LYS 11 1HZ LYS 11 8.630 1.364 15.868 129 HZ3 LYS 11 2HZ LYS 11 7.075 1.039 16.471 130 H THR 12 H THR 12 5.318 -2.199 10.832 131 HA THR 12 HA THR 12 8.149 -2.615 11.111 132 HB THR 12 HB THR 12 7.621 -4.989 10.888 133 HG1 THR 12 1HG THR 12 4.988 -4.180 10.257 134 HG21 THR 12 3HG2 THR 12 6.962 -4.690 13.023 135 HG22 THR 12 1HG2 THR 12 5.311 -4.658 12.407 136 HG23 THR 12 2HG2 THR 12 6.193 -3.149 12.643 137 H ARG 13 H ARG 13 6.030 -2.550 8.261 138 HA ARG 13 HA ARG 13 8.480 -2.654 6.605 139 HB2 ARG 13 2HB ARG 13 6.180 -4.601 6.322 140 HB3 ARG 13 1HB ARG 13 7.445 -4.389 5.115 141 HG2 ARG 13 2HG ARG 13 9.141 -4.933 6.884 142 HG3 ARG 13 1HG ARG 13 7.809 -5.300 7.982 143 HD2 ARG 13 2HD ARG 13 8.381 -6.675 5.340 144 HD3 ARG 13 1HD ARG 13 8.599 -7.368 6.947 145 HE ARG 13 HE ARG 13 5.870 -6.448 6.375 146 HH11 ARG 13 1HH2 ARG 13 8.201 -8.988 6.336 147 HH12 ARG 13 2HH2 ARG 13 7.018 -10.253 6.330 148 HH21 ARG 13 1HH1 ARG 13 4.312 -8.085 6.367 149 HH22 ARG 13 2HH1 ARG 13 4.816 -9.741 6.348 150 H CYS 14 H CYS 14 7.140 -0.321 6.804 151 HA CYS 14 HA CYS 14 6.270 0.150 4.110 152 HB2 CYS 14 2HB CYS 14 4.280 -1.062 5.348 153 HB3 CYS 14 1HB CYS 14 4.001 0.543 6.018 154 H LEU 15 H LEU 15 5.738 1.360 7.434 155 HA LEU 15 HA LEU 15 5.532 4.101 6.778 156 HB2 LEU 15 2HB LEU 15 5.070 3.153 9.032 157 HB3 LEU 15 1HB LEU 15 6.800 2.912 9.261 158 HG LEU 15 HG LEU 15 7.020 5.448 8.767 159 HD11 LEU 15 1HD1 LEU 15 4.054 5.179 9.314 160 HD12 LEU 15 2HD1 LEU 15 4.825 5.933 7.916 161 HD13 LEU 15 3HD1 LEU 15 4.935 6.695 9.501 162 HD21 LEU 15 3HD2 LEU 15 5.629 4.458 11.271 163 HD22 LEU 15 1HD2 LEU 15 6.505 5.982 11.131 164 HD23 LEU 15 2HD2 LEU 15 7.369 4.453 10.981 165 H GLN 16 H GLN 16 8.422 2.108 7.278 166 HA GLN 16 HA GLN 16 10.352 4.171 7.368 167 HB2 GLN 16 2HB GLN 16 10.551 1.411 6.125 168 HB3 GLN 16 1HB GLN 16 11.929 2.462 6.459 169 HG2 GLN 16 2HG GLN 16 11.367 2.472 8.849 170 HG3 GLN 16 1HG GLN 16 9.959 1.458 8.533 171 HE21 GLN 16 1HE2 GLN 16 12.029 0.556 10.279 172 HE22 GLN 16 2HE2 GLN 16 12.830 -0.748 9.542 173 H CYS 17 H CYS 17 8.700 2.720 4.596 174 HA CYS 17 HA CYS 17 10.280 4.440 2.759 175 HB2 CYS 17 2HB CYS 17 8.294 2.214 2.262 176 HB3 CYS 17 1HB CYS 17 9.061 3.153 0.980 177 H HIS 18 H HIS 18 6.874 3.802 3.646 178 HA HIS 18 HA HIS 18 6.114 6.257 2.135 179 HB2 HIS 18 2HB HIS 18 4.515 3.908 3.185 180 HB3 HIS 18 1HB HIS 18 3.757 5.370 2.545 181 HD1 HIS 18 1HD HIS 18 4.387 5.961 -0.019 182 HD2 HIS 18 2HD HIS 18 5.384 2.127 1.263 183 HE1 HIS 18 1HE HIS 18 4.798 4.589 -2.118 184 H THR 19 H THR 19 5.758 8.087 3.270 185 HA THR 19 HA THR 19 5.664 7.990 6.206 186 HB THR 19 HB THR 19 5.967 10.333 6.136 187 HG1 THR 19 1HG THR 19 4.252 10.159 4.149 188 HG21 THR 19 3HG2 THR 19 7.596 8.709 4.584 189 HG22 THR 19 1HG2 THR 19 7.968 10.354 5.093 190 HG23 THR 19 2HG2 THR 19 7.234 10.066 3.517 191 H VAL 20 H VAL 20 3.454 8.309 3.543 192 HA VAL 20 HA VAL 20 1.164 8.823 3.465 193 HB VAL 20 HB VAL 20 1.191 6.506 4.336 194 HG11 VAL 20 1HG1 VAL 20 1.224 7.900 7.028 195 HG12 VAL 20 2HG1 VAL 20 2.379 6.717 6.416 196 HG13 VAL 20 3HG1 VAL 20 0.738 6.222 6.815 197 HG21 VAL 20 3HG2 VAL 20 -1.008 7.466 5.957 198 HG22 VAL 20 1HG2 VAL 20 -1.054 6.634 4.402 199 HG23 VAL 20 2HG2 VAL 20 -0.893 8.390 4.460 200 H GLU 21 H GLU 21 2.613 10.939 4.648 201 HA GLU 21 HA GLU 21 0.919 11.772 6.955 202 HB2 GLU 21 2HB GLU 21 3.423 13.037 5.793 203 HB3 GLU 21 1HB GLU 21 2.548 13.630 7.203 204 HG2 GLU 21 2HG GLU 21 2.937 11.420 8.312 205 HG3 GLU 21 1HG GLU 21 3.926 10.950 6.931 206 H LYS 22 H LYS 22 -0.031 13.958 6.881 207 HA LYS 22 HA LYS 22 -1.337 14.484 4.364 208 HB2 LYS 22 2HB LYS 22 -2.318 15.033 6.604 209 HB3 LYS 22 1HB LYS 22 -1.123 16.321 6.765 210 HG2 LYS 22 2HG LYS 22 -1.977 17.419 4.759 211 HG3 LYS 22 1HG LYS 22 -3.114 16.099 4.489 212 HD2 LYS 22 2HD LYS 22 -4.311 17.913 5.558 213 HD3 LYS 22 1HD LYS 22 -4.130 16.606 6.729 214 HE2 LYS 22 2HE LYS 22 -2.476 17.744 7.941 215 HE3 LYS 22 1HE LYS 22 -2.070 18.795 6.584 216 HZ1 LYS 22 3HZ LYS 22 -3.627 19.532 8.614 217 HZ2 LYS 22 1HZ LYS 22 -4.804 18.967 7.534 218 HZ3 LYS 22 2HZ LYS 22 -3.736 20.201 7.057 219 H GLY 23 H GLY 23 -0.923 16.109 2.853 220 HA2 GLY 23 2HA GLY 23 0.210 18.098 2.057 221 HA3 GLY 23 1HA GLY 23 1.423 17.876 3.318 222 H GLY 24 H GLY 24 1.044 14.856 2.265 223 HA2 GLY 24 2HA GLY 24 2.466 13.470 0.999 224 HA3 GLY 24 1HA GLY 24 2.076 14.591 -0.302 225 HA PRO 25 HA PRO 25 6.039 16.513 1.731 226 HB2 PRO 25 2HB PRO 25 7.310 14.809 3.530 227 HB3 PRO 25 1HB PRO 25 6.281 16.181 3.976 228 HG2 PRO 25 2HG PRO 25 5.649 13.288 3.904 229 HG3 PRO 25 1HG PRO 25 5.063 14.551 4.999 230 HD2 PRO 25 2HD PRO 25 3.543 13.541 2.980 231 HD3 PRO 25 1HD PRO 25 3.380 15.214 3.554 232 H HIS 26 H HIS 26 5.767 13.063 1.144 233 HA HIS 26 HA HIS 26 7.066 11.602 -0.138 234 HB2 HIS 26 2HB HIS 26 7.823 14.216 -1.471 235 HB3 HIS 26 1HB HIS 26 8.134 12.612 -2.139 236 HD1 HIS 26 1HD HIS 26 5.728 11.070 -2.057 237 HD2 HIS 26 2HD HIS 26 5.460 15.209 -2.489 238 HE1 HIS 26 1HE HIS 26 3.441 11.540 -3.037 239 HE2 HIS 26 2HE HIS 26 3.265 14.058 -3.302 240 H LYS 27 H LYS 27 8.275 12.183 2.301 241 HA LYS 27 HA LYS 27 10.925 13.205 2.161 242 HB2 LYS 27 2HB LYS 27 9.806 10.985 3.899 243 HB3 LYS 27 1HB LYS 27 11.368 11.762 4.156 244 HG2 LYS 27 2HG LYS 27 10.180 13.966 4.323 245 HG3 LYS 27 1HG LYS 27 8.648 13.096 4.235 246 HD2 LYS 27 2HD LYS 27 9.330 11.777 6.247 247 HD3 LYS 27 1HD LYS 27 10.782 12.770 6.364 248 HE2 LYS 27 2HE LYS 27 8.030 14.005 6.291 249 HE3 LYS 27 1HE LYS 27 8.765 13.475 7.804 250 HZ1 LYS 27 3HZ LYS 27 10.405 15.046 7.667 251 HZ2 LYS 27 1HZ LYS 27 9.119 15.890 6.954 252 HZ3 LYS 27 2HZ LYS 27 10.311 15.177 5.976 253 H VAL 28 H VAL 28 9.590 10.050 1.352 254 HA VAL 28 HA VAL 28 12.114 9.401 -0.073 255 HB VAL 28 HB VAL 28 10.690 7.413 1.724 256 HG11 VAL 28 1HG1 VAL 28 12.136 6.785 -0.392 257 HG12 VAL 28 2HG1 VAL 28 12.350 5.898 1.117 258 HG13 VAL 28 3HG1 VAL 28 13.490 7.168 0.671 259 HG21 VAL 28 3HG2 VAL 28 12.734 7.656 3.169 260 HG22 VAL 28 1HG2 VAL 28 11.728 9.104 3.131 261 HG23 VAL 28 2HG2 VAL 28 13.213 9.036 2.180 262 H GLY 29 H GLY 29 10.115 6.714 0.207 263 HA2 GLY 29 2HA GLY 29 9.313 6.728 -2.524 264 HA3 GLY 29 1HA GLY 29 8.562 5.736 -1.267 265 HA PRO 30 HA PRO 30 5.904 9.485 -2.795 266 HB2 PRO 30 2HB PRO 30 3.892 7.703 -3.726 267 HB3 PRO 30 1HB PRO 30 4.921 8.759 -4.699 268 HG2 PRO 30 2HG PRO 30 5.103 5.884 -4.251 269 HG3 PRO 30 1HG PRO 30 5.809 6.884 -5.529 270 HD2 PRO 30 2HD PRO 30 7.258 5.735 -3.462 271 HD3 PRO 30 1HD PRO 30 7.790 7.146 -4.398 272 H ASN 31 H ASN 31 4.374 10.222 -1.337 273 HA ASN 31 HA ASN 31 3.608 8.369 0.827 274 HB2 ASN 31 2HB ASN 31 3.287 11.359 0.457 275 HB3 ASN 31 1HB ASN 31 2.666 10.483 1.856 276 HD21 ASN 31 1HD2 ASN 31 4.740 12.471 2.139 277 HD22 ASN 31 2HD2 ASN 31 6.164 11.683 2.612 278 H LEU 32 H LEU 32 1.537 7.635 1.160 279 HA LEU 32 HA LEU 32 -0.368 8.078 -1.054 280 HB2 LEU 32 2HB LEU 32 -0.442 6.178 1.309 281 HB3 LEU 32 1HB LEU 32 -1.636 6.224 0.014 282 HG LEU 32 HG LEU 32 0.227 5.818 -1.629 283 HD11 LEU 32 1HD1 LEU 32 2.250 6.378 -0.675 284 HD12 LEU 32 2HD1 LEU 32 2.240 4.656 -0.301 285 HD13 LEU 32 3HD1 LEU 32 1.768 5.827 0.929 286 HD21 LEU 32 3HD2 LEU 32 -0.946 3.860 -1.218 287 HD22 LEU 32 1HD2 LEU 32 -0.592 3.891 0.510 288 HD23 LEU 32 2HD2 LEU 32 0.651 3.387 -0.636 289 H HIS 33 H HIS 33 -2.286 9.138 -0.843 290 HA HIS 33 HA HIS 33 -3.487 9.727 1.740 291 HB2 HIS 33 2HB HIS 33 -1.670 11.445 1.630 292 HB3 HIS 33 1HB HIS 33 -2.363 12.037 0.121 293 HD1 HIS 33 1HD HIS 33 -3.631 11.317 3.659 294 HD2 HIS 33 2HD HIS 33 -4.161 14.076 0.576 295 HE1 HIS 33 1HE HIS 33 -5.276 13.046 4.517 296 HE2 HIS 33 2HE HIS 33 -5.603 14.728 2.647 297 H GLY 34 H GLY 34 -5.297 8.743 0.728 298 HA2 GLY 34 2HA GLY 34 -7.446 9.150 -0.265 299 HA3 GLY 34 1HA GLY 34 -6.760 10.539 -1.114 300 H ILE 35 H ILE 35 -4.622 7.999 -1.323 301 HA ILE 35 HA ILE 35 -4.821 7.698 -4.125 302 HB ILE 35 HB ILE 35 -2.886 7.014 -2.599 303 HG12 ILE 35 2HG1 ILE 35 -3.681 4.789 -4.483 304 HG13 ILE 35 1HG1 ILE 35 -3.251 6.385 -5.097 305 HG21 ILE 35 1HG2 ILE 35 -4.322 4.372 -2.430 306 HG22 ILE 35 2HG2 ILE 35 -4.552 5.597 -1.186 307 HG23 ILE 35 3HG2 ILE 35 -2.945 4.942 -1.491 308 HD11 ILE 35 3HD1 ILE 35 -1.306 4.808 -5.011 309 HD12 ILE 35 1HD1 ILE 35 -1.491 4.738 -3.259 310 HD13 ILE 35 2HD1 ILE 35 -1.064 6.261 -4.041 311 H PHE 36 H PHE 36 -6.697 6.264 -1.584 312 HA PHE 36 HA PHE 36 -7.598 3.917 -2.940 313 HB2 PHE 36 2HB PHE 36 -8.871 5.677 -0.830 314 HB3 PHE 36 1HB PHE 36 -9.624 4.196 -1.415 315 HD1 PHE 36 1HD PHE 36 -6.708 5.593 0.397 316 HD2 PHE 36 2HD PHE 36 -8.748 2.021 -0.852 317 HE1 PHE 36 1HE PHE 36 -5.300 4.244 1.934 318 HE2 PHE 36 2HE PHE 36 -7.340 0.678 0.684 319 HZ PHE 36 HZ PHE 36 -5.616 1.790 2.075 320 H GLY 37 H GLY 37 -9.117 3.667 -4.545 321 HA2 GLY 37 2HA GLY 37 -10.764 4.240 -6.126 322 HA3 GLY 37 1HA GLY 37 -11.160 5.633 -5.117 323 H ARG 38 H ARG 38 -7.856 5.212 -6.092 324 HA ARG 38 HA ARG 38 -8.213 7.241 -8.247 325 HB2 ARG 38 2HB ARG 38 -6.176 7.332 -6.006 326 HB3 ARG 38 1HB ARG 38 -6.159 8.392 -7.413 327 HG2 ARG 38 2HG ARG 38 -8.487 9.125 -6.799 328 HG3 ARG 38 1HG ARG 38 -8.329 8.195 -5.310 329 HD2 ARG 38 2HD ARG 38 -6.212 9.528 -4.842 330 HD3 ARG 38 1HD ARG 38 -6.676 10.572 -6.183 331 HE ARG 38 HE ARG 38 -8.902 10.359 -4.422 332 HH11 ARG 38 1HH2 ARG 38 -5.682 11.586 -4.586 333 HH12 ARG 38 2HH2 ARG 38 -5.979 12.882 -3.478 334 HH21 ARG 38 1HH1 ARG 38 -9.305 12.047 -2.973 335 HH22 ARG 38 2HH1 ARG 38 -8.029 13.145 -2.564 336 H HIS 39 H HIS 39 -6.328 7.347 -9.720 337 HA HIS 39 HA HIS 39 -5.139 4.650 -10.067 338 HB2 HIS 39 2HB HIS 39 -5.314 7.033 -11.936 339 HB3 HIS 39 1HB HIS 39 -4.546 5.499 -12.344 340 HD1 HIS 39 1HD HIS 39 -7.894 7.090 -11.811 341 HD2 HIS 39 2HD HIS 39 -6.364 3.317 -12.720 342 HE1 HIS 39 1HE HIS 39 -9.864 5.674 -12.548 343 HE2 HIS 39 2HE HIS 39 -8.943 3.375 -13.103 344 H SER 40 H SER 40 -2.836 4.447 -10.452 345 HA SER 40 HA SER 40 -1.220 6.091 -8.741 346 HB2 SER 40 2HB SER 40 0.595 4.728 -9.413 347 HB3 SER 40 1HB SER 40 -0.803 3.666 -9.527 348 HG SER 40 HG SER 40 0.182 3.439 -11.447 349 H GLY 41 H GLY 41 0.592 7.457 -9.425 350 HA2 GLY 41 2HA GLY 41 1.729 8.881 -10.976 351 HA3 GLY 41 1HA GLY 41 0.524 8.470 -12.194 352 H GLN 42 H GLN 42 -1.608 9.021 -10.055 353 HA GLN 42 HA GLN 42 -2.232 11.681 -10.858 354 HB2 GLN 42 2HB GLN 42 -3.866 9.992 -9.955 355 HB3 GLN 42 1HB GLN 42 -3.208 10.297 -8.347 356 HG2 GLN 42 2HG GLN 42 -3.811 12.665 -8.517 357 HG3 GLN 42 1HG GLN 42 -4.403 12.415 -10.159 358 HE21 GLN 42 1HE2 GLN 42 -6.249 13.413 -8.357 359 HE22 GLN 42 2HE2 GLN 42 -7.365 12.211 -7.921 360 H ALA 43 H ALA 43 -0.514 10.453 -8.005 361 HA ALA 43 HA ALA 43 -0.482 12.859 -6.498 362 HB1 ALA 43 1HB ALA 43 0.327 10.596 -5.716 363 HB2 ALA 43 2HB ALA 43 1.415 11.927 -5.323 364 HB3 ALA 43 3HB ALA 43 1.785 10.855 -6.674 365 H GLU 44 H GLU 44 1.763 11.699 -8.999 366 HA GLU 44 HA GLU 44 3.350 12.839 -10.282 367 HB2 GLU 44 2HB GLU 44 1.563 15.193 -9.608 368 HB3 GLU 44 1HB GLU 44 2.806 15.187 -10.856 369 HG2 GLU 44 2HG GLU 44 1.646 13.292 -11.972 370 HG3 GLU 44 1HG GLU 44 0.372 13.381 -10.754 371 H GLY 45 H GLY 45 2.780 13.884 -7.016 372 HA2 GLY 45 2HA GLY 45 4.801 15.845 -6.726 373 HA3 GLY 45 1HA GLY 45 4.248 14.785 -5.429 374 H TYR 46 H TYR 46 4.982 12.323 -6.801 375 HA TYR 46 HA TYR 46 7.966 12.560 -6.730 376 HB2 TYR 46 2HB TYR 46 6.968 11.469 -4.687 377 HB3 TYR 46 1HB TYR 46 6.323 10.213 -5.742 378 HD1 TYR 46 1HD TYR 46 9.493 11.871 -4.684 379 HD2 TYR 46 2HD TYR 46 7.677 8.408 -6.459 380 HE1 TYR 46 1HE TYR 46 11.673 10.691 -4.612 381 HE2 TYR 46 2HE TYR 46 9.859 7.227 -6.390 382 HH TYR 46 HH TYR 46 12.147 7.698 -4.659 383 H SER 47 H SER 47 9.069 11.389 -8.320 384 HA SER 47 HA SER 47 7.644 10.748 -10.719 385 HB2 SER 47 2HB SER 47 9.757 10.070 -11.602 386 HB3 SER 47 1HB SER 47 10.105 11.395 -10.494 387 HG SER 47 HG SER 47 10.049 8.812 -9.450 388 H TYR 48 H TYR 48 7.557 8.597 -11.752 389 HA TYR 48 HA TYR 48 7.209 6.414 -9.733 390 HB2 TYR 48 2HB TYR 48 5.706 6.996 -12.297 391 HB3 TYR 48 1HB TYR 48 5.569 5.470 -11.423 392 HD1 TYR 48 1HD TYR 48 5.303 9.174 -10.898 393 HD2 TYR 48 2HD TYR 48 4.031 5.256 -9.683 394 HE1 TYR 48 1HE TYR 48 3.648 10.189 -9.352 395 HE2 TYR 48 2HE TYR 48 2.380 6.270 -8.141 396 HH TYR 48 HH TYR 48 1.585 8.142 -7.275 397 H THR 49 H THR 49 7.928 4.311 -10.346 398 HA THR 49 HA THR 49 10.228 4.313 -12.127 399 HB THR 49 HB THR 49 10.502 2.002 -11.473 400 HG1 THR 49 1HG THR 49 8.647 1.274 -9.997 401 HG21 THR 49 3HG2 THR 49 10.038 4.116 -9.562 402 HG22 THR 49 1HG2 THR 49 11.225 2.814 -9.509 403 HG23 THR 49 2HG2 THR 49 9.606 2.557 -8.858 404 H ASP 50 H ASP 50 10.422 2.753 -13.952 405 HA ASP 50 HA ASP 50 8.426 3.102 -15.908 406 HB2 ASP 50 2HB ASP 50 10.527 0.948 -15.641 407 HB3 ASP 50 1HB ASP 50 9.552 1.187 -17.090 408 H ALA 51 H ALA 51 8.788 0.576 -13.478 409 HA ALA 51 HA ALA 51 7.021 -1.363 -14.484 410 HB1 ALA 51 1HB ALA 51 6.806 -2.156 -12.242 411 HB2 ALA 51 2HB ALA 51 7.152 -0.563 -11.571 412 HB3 ALA 51 3HB ALA 51 8.430 -1.481 -12.367 413 H ASN 52 H ASN 52 5.954 0.796 -11.836 414 HA ASN 52 HA ASN 52 3.203 0.449 -12.314 415 HB2 ASN 52 2HB ASN 52 4.129 1.517 -10.277 416 HB3 ASN 52 1HB ASN 52 4.550 2.940 -11.230 417 HD21 ASN 52 1HD2 ASN 52 1.729 1.006 -10.099 418 HD22 ASN 52 2HD2 ASN 52 0.606 2.267 -10.288 419 H ILE 53 H ILE 53 5.390 2.918 -13.705 420 HA ILE 53 HA ILE 53 3.390 4.392 -15.081 421 HB ILE 53 HB ILE 53 6.270 3.851 -15.858 422 HG12 ILE 53 2HG1 ILE 53 5.027 6.225 -14.437 423 HG13 ILE 53 1HG1 ILE 53 5.875 4.920 -13.613 424 HG21 ILE 53 1HG2 ILE 53 5.939 6.065 -17.078 425 HG22 ILE 53 2HG2 ILE 53 4.209 5.825 -16.840 426 HG23 ILE 53 3HG2 ILE 53 5.138 4.666 -17.790 427 HD11 ILE 53 3HD1 ILE 53 7.260 7.007 -14.174 428 HD12 ILE 53 1HD1 ILE 53 7.155 6.486 -15.856 429 HD13 ILE 53 2HD1 ILE 53 7.942 5.454 -14.661 430 H LYS 54 H LYS 54 5.349 1.603 -16.142 431 HA LYS 54 HA LYS 54 4.218 1.387 -18.752 432 HB2 LYS 54 2HB LYS 54 6.270 0.177 -17.963 433 HB3 LYS 54 1HB LYS 54 5.230 -0.875 -17.003 434 HG2 LYS 54 2HG LYS 54 4.025 -1.542 -19.070 435 HG3 LYS 54 1HG LYS 54 5.127 -0.538 -20.015 436 HD2 LYS 54 2HD LYS 54 7.040 -1.879 -19.094 437 HD3 LYS 54 1HD LYS 54 5.864 -2.948 -18.328 438 HE2 LYS 54 2HE LYS 54 6.079 -4.105 -20.293 439 HE3 LYS 54 1HE LYS 54 4.880 -2.934 -20.845 440 HZ1 LYS 54 3HZ LYS 54 6.762 -1.502 -21.543 441 HZ2 LYS 54 1HZ LYS 54 6.663 -2.963 -22.400 442 HZ3 LYS 54 2HZ LYS 54 7.825 -2.775 -21.174 443 H LYS 55 H LYS 55 3.195 0.116 -15.612 444 HA LYS 55 HA LYS 55 0.621 -0.723 -16.893 445 HB2 LYS 55 2HB LYS 55 2.023 -2.662 -16.147 446 HB3 LYS 55 1HB LYS 55 1.976 -2.016 -14.507 447 HG2 LYS 55 2HG LYS 55 -0.497 -2.157 -14.530 448 HG3 LYS 55 1HG LYS 55 -0.433 -2.848 -16.153 449 HD2 LYS 55 2HD LYS 55 0.992 -4.702 -15.239 450 HD3 LYS 55 1HD LYS 55 0.725 -4.049 -13.624 451 HE2 LYS 55 2HE LYS 55 -1.798 -4.286 -15.002 452 HE3 LYS 55 1HE LYS 55 -0.949 -5.832 -15.046 453 HZ1 LYS 55 3HZ LYS 55 -2.221 -4.557 -12.859 454 HZ2 LYS 55 1HZ LYS 55 -0.587 -4.835 -12.501 455 HZ3 LYS 55 2HZ LYS 55 -1.586 -6.129 -12.962 456 H ASN 56 H ASN 56 -0.970 0.621 -16.186 457 HA ASN 56 HA ASN 56 -0.653 1.890 -13.511 458 HB2 ASN 56 2HB ASN 56 -1.119 3.340 -15.520 459 HB3 ASN 56 1HB ASN 56 -2.688 2.546 -15.659 460 HD21 ASN 56 1HD2 ASN 56 -0.707 4.103 -13.065 461 HD22 ASN 56 2HD2 ASN 56 -2.018 4.893 -12.333 462 H VAL 57 H VAL 57 -2.076 1.440 -11.867 463 HA VAL 57 HA VAL 57 -4.372 -0.364 -12.499 464 HB VAL 57 HB VAL 57 -2.496 -1.667 -11.547 465 HG11 VAL 57 1HG1 VAL 57 -1.844 0.534 -10.170 466 HG12 VAL 57 2HG1 VAL 57 -1.403 -1.075 -9.602 467 HG13 VAL 57 3HG1 VAL 57 -2.817 -0.259 -8.932 468 HG21 VAL 57 3HG2 VAL 57 -4.957 -2.116 -11.001 469 HG22 VAL 57 1HG2 VAL 57 -4.660 -1.309 -9.461 470 HG23 VAL 57 2HG2 VAL 57 -3.783 -2.784 -9.866 471 H LEU 58 H LEU 58 -6.215 -0.073 -11.192 472 HA LEU 58 HA LEU 58 -6.464 2.565 -9.962 473 HB2 LEU 58 2HB LEU 58 -8.351 1.575 -11.206 474 HB3 LEU 58 1HB LEU 58 -8.401 0.228 -10.069 475 HG LEU 58 HG LEU 58 -8.851 1.852 -8.223 476 HD11 LEU 58 1HD1 LEU 58 -9.785 4.108 -9.462 477 HD12 LEU 58 2HD1 LEU 58 -8.370 3.732 -10.444 478 HD13 LEU 58 3HD1 LEU 58 -8.197 3.973 -8.705 479 HD21 LEU 58 3HD2 LEU 58 -11.102 2.677 -9.653 480 HD22 LEU 58 1HD2 LEU 58 -10.946 1.185 -8.725 481 HD23 LEU 58 2HD2 LEU 58 -10.603 1.187 -10.455 482 H TRP 59 H TRP 59 -6.291 3.008 -7.793 483 HA TRP 59 HA TRP 59 -5.617 0.721 -6.033 484 HB2 TRP 59 2HB TRP 59 -5.263 3.712 -5.750 485 HB3 TRP 59 1HB TRP 59 -4.929 2.577 -4.438 486 HD1 TRP 59 HD TRP 59 -3.448 3.998 -7.544 487 HE1 TRP 59 1HE TRP 59 -1.216 2.823 -8.078 488 HE3 TRP 59 3HE TRP 59 -3.688 0.114 -4.251 489 HZ2 TRP 59 2HZ TRP 59 0.268 0.533 -7.227 490 HZ3 TRP 59 3HZ TRP 59 -1.857 -1.540 -4.125 491 HH2 TRP 59 HH TRP 59 0.123 -1.339 -5.606 492 H ASP 60 H ASP 60 -7.018 -0.036 -4.612 493 HA ASP 60 HA ASP 60 -9.037 1.660 -3.331 494 HB2 ASP 60 2HB ASP 60 -10.049 0.882 -5.539 495 HB3 ASP 60 1HB ASP 60 -9.944 -0.762 -4.910 496 H GLU 61 H GLU 61 -10.334 0.159 -1.735 497 HA GLU 61 HA GLU 61 -8.475 -1.192 -0.071 498 HB2 GLU 61 2HB GLU 61 -11.485 -1.519 -0.252 499 HB3 GLU 61 1HB GLU 61 -10.487 -2.129 1.068 500 HG2 GLU 61 2HG GLU 61 -9.706 0.183 1.522 501 HG3 GLU 61 1HG GLU 61 -10.768 0.775 0.243 502 H ASN 62 H ASN 62 -10.650 -2.448 -2.589 503 HA ASN 62 HA ASN 62 -9.984 -5.226 -2.083 504 HB2 ASN 62 2HB ASN 62 -10.792 -4.613 -4.826 505 HB3 ASN 62 1HB ASN 62 -11.598 -5.619 -3.623 506 HD21 ASN 62 1HD2 ASN 62 -11.311 -2.293 -4.836 507 HD22 ASN 62 2HD2 ASN 62 -12.705 -1.708 -4.061 508 H ASN 63 H ASN 63 -8.965 -2.842 -4.532 509 HA ASN 63 HA ASN 63 -7.119 -4.525 -5.892 510 HB2 ASN 63 2HB ASN 63 -7.973 -2.248 -6.636 511 HB3 ASN 63 1HB ASN 63 -6.814 -1.540 -5.510 512 HD21 ASN 63 1HD2 ASN 63 -4.799 -1.108 -6.408 513 HD22 ASN 63 2HD2 ASN 63 -4.146 -1.890 -7.765 514 H MET 64 H MET 64 -6.744 -2.489 -3.018 515 HA MET 64 HA MET 64 -3.919 -2.621 -2.793 516 HB2 MET 64 2HB MET 64 -6.049 -2.503 -0.639 517 HB3 MET 64 1HB MET 64 -4.325 -2.273 -0.338 518 HG2 MET 64 2HG MET 64 -5.407 -0.653 -2.553 519 HG3 MET 64 1HG MET 64 -6.057 -0.250 -0.963 520 HE1 MET 64 3HE MET 64 -5.141 1.719 -2.191 521 HE2 MET 64 1HE MET 64 -3.459 2.266 -2.202 522 HE3 MET 64 2HE MET 64 -4.428 2.418 -0.738 523 H SER 65 H SER 65 -6.426 -4.890 -1.668 524 HA SER 65 HA SER 65 -4.623 -6.644 -0.289 525 HB2 SER 65 2HB SER 65 -6.416 -8.298 -0.422 526 HB3 SER 65 1HB SER 65 -7.103 -6.721 -0.043 527 HG SER 65 HG SER 65 -8.265 -7.020 -1.763 528 H GLU 66 H GLU 66 -5.629 -6.419 -3.673 529 HA GLU 66 HA GLU 66 -4.425 -8.885 -4.527 530 HB2 GLU 66 2HB GLU 66 -5.041 -6.331 -6.042 531 HB3 GLU 66 1HB GLU 66 -4.554 -7.845 -6.798 532 HG2 GLU 66 2HG GLU 66 -6.513 -8.970 -5.772 533 HG3 GLU 66 1HG GLU 66 -7.018 -7.426 -5.086 534 H HIS 67 H HIS 67 -3.232 -5.585 -4.146 535 HA HIS 67 HA HIS 67 -0.759 -5.850 -5.514 536 HB2 HIS 67 2HB HIS 67 -1.675 -3.709 -4.674 537 HB3 HIS 67 1HB HIS 67 -1.364 -4.232 -3.020 538 HD1 HIS 67 1HD HIS 67 0.721 -4.092 -6.222 539 HD2 HIS 67 2HD HIS 67 1.028 -3.158 -2.179 540 HE1 HIS 67 1HE HIS 67 3.052 -3.159 -5.884 541 HE2 HIS 67 2HE HIS 67 3.252 -2.597 -3.418 542 H LEU 68 H LEU 68 -1.559 -6.469 -2.096 543 HA LEU 68 HA LEU 68 1.084 -7.362 -1.386 544 HB2 LEU 68 2HB LEU 68 -1.539 -8.144 -0.083 545 HB3 LEU 68 1HB LEU 68 0.059 -8.149 0.656 546 HG LEU 68 HG LEU 68 -1.551 -5.748 -0.223 547 HD11 LEU 68 1HD1 LEU 68 -1.286 -7.142 2.220 548 HD12 LEU 68 2HD1 LEU 68 -2.085 -5.592 1.953 549 HD13 LEU 68 3HD1 LEU 68 -0.381 -5.640 2.405 550 HD21 LEU 68 3HD2 LEU 68 0.503 -4.502 0.739 551 HD22 LEU 68 1HD2 LEU 68 0.642 -5.169 -0.887 552 HD23 LEU 68 2HD2 LEU 68 1.370 -6.014 0.477 553 H THR 69 H THR 69 -1.726 -8.906 -2.798 554 HA THR 69 HA THR 69 -1.093 -11.620 -2.302 555 HB THR 69 HB THR 69 -2.400 -10.480 -4.785 556 HG1 THR 69 1HG THR 69 -4.027 -11.495 -2.883 557 HG21 THR 69 3HG2 THR 69 -3.584 -12.895 -4.062 558 HG22 THR 69 1HG2 THR 69 -1.861 -13.172 -3.806 559 HG23 THR 69 2HG2 THR 69 -2.445 -12.652 -5.387 560 H ASN 70 H ASN 70 0.083 -9.460 -4.881 561 HA ASN 70 HA ASN 70 2.374 -11.225 -5.289 562 HB2 ASN 70 2HB ASN 70 0.274 -12.063 -6.674 563 HB3 ASN 70 1HB ASN 70 0.763 -10.774 -7.771 564 HD21 ASN 70 1HD2 ASN 70 3.117 -10.851 -8.510 565 HD22 ASN 70 2HD2 ASN 70 3.860 -12.369 -8.662 566 HA PRO 71 HA PRO 71 2.786 -6.569 -6.022 567 HB2 PRO 71 2HB PRO 71 5.302 -7.198 -4.572 568 HB3 PRO 71 1HB PRO 71 4.173 -5.852 -4.339 569 HG2 PRO 71 2HG PRO 71 4.331 -7.945 -2.650 570 HG3 PRO 71 1HG PRO 71 2.837 -7.040 -2.937 571 HD2 PRO 71 2HD PRO 71 3.567 -9.771 -3.836 572 HD3 PRO 71 1HD PRO 71 1.967 -9.056 -3.587 573 H ALA 72 H ALA 72 4.690 -9.434 -6.614 574 HA ALA 72 HA ALA 72 6.756 -8.179 -8.197 575 HB1 ALA 72 1HB ALA 72 7.181 -10.509 -9.008 576 HB2 ALA 72 2HB ALA 72 5.737 -11.035 -8.142 577 HB3 ALA 72 3HB ALA 72 7.117 -10.394 -7.248 578 H LYS 73 H LYS 73 4.438 -10.554 -9.501 579 HA LYS 73 HA LYS 73 4.552 -9.558 -12.151 580 HB2 LYS 73 2HB LYS 73 3.617 -11.784 -11.493 581 HB3 LYS 73 1HB LYS 73 2.200 -10.957 -10.843 582 HG2 LYS 73 2HG LYS 73 1.772 -9.973 -13.085 583 HG3 LYS 73 1HG LYS 73 3.149 -10.872 -13.723 584 HD2 LYS 73 2HD LYS 73 2.041 -12.992 -12.968 585 HD3 LYS 73 1HD LYS 73 0.627 -12.040 -12.516 586 HE2 LYS 73 2HE LYS 73 -0.089 -11.998 -14.649 587 HE3 LYS 73 1HE LYS 73 1.458 -11.352 -15.195 588 HZ1 LYS 73 3HZ LYS 73 0.476 -14.069 -15.230 589 HZ2 LYS 73 1HZ LYS 73 2.072 -13.912 -14.674 590 HZ3 LYS 73 2HZ LYS 73 1.646 -13.320 -16.209 591 H TYR 74 H TYR 74 2.463 -8.683 -9.446 592 HA TYR 74 HA TYR 74 0.567 -7.089 -10.815 593 HB2 TYR 74 2HB TYR 74 0.392 -7.720 -8.441 594 HB3 TYR 74 1HB TYR 74 1.779 -6.706 -8.063 595 HD1 TYR 74 2HD TYR 74 -1.766 -6.701 -9.138 596 HD2 TYR 74 1HD TYR 74 1.600 -4.320 -7.949 597 HE1 TYR 74 2HE TYR 74 -3.258 -4.743 -8.827 598 HE2 TYR 74 1HE TYR 74 0.109 -2.371 -7.635 599 HH TYR 74 HH TYR 74 -1.942 -1.621 -7.666 600 H ILE 75 H ILE 75 3.662 -6.085 -9.304 601 HA ILE 75 HA ILE 75 3.954 -4.014 -11.388 602 HB ILE 75 HB ILE 75 3.631 -3.402 -8.447 603 HG12 ILE 75 2HG1 ILE 75 2.649 -2.039 -10.978 604 HG13 ILE 75 1HG1 ILE 75 1.702 -3.168 -10.014 605 HG21 ILE 75 1HG2 ILE 75 4.486 -1.027 -9.468 606 HG22 ILE 75 2HG2 ILE 75 5.482 -2.134 -10.398 607 HG23 ILE 75 3HG2 ILE 75 5.547 -2.158 -8.637 608 HD11 ILE 75 3HD1 ILE 75 2.195 -1.579 -8.030 609 HD12 ILE 75 1HD1 ILE 75 1.017 -1.046 -9.232 610 HD13 ILE 75 2HD1 ILE 75 2.661 -0.410 -9.264 611 HA PRO 76 HA PRO 76 7.892 -6.035 -10.087 612 HB2 PRO 76 2HB PRO 76 8.540 -7.119 -12.480 613 HB3 PRO 76 1HB PRO 76 7.415 -7.909 -11.360 614 HG2 PRO 76 2HG PRO 76 6.861 -6.410 -13.853 615 HG3 PRO 76 1HG PRO 76 6.003 -7.786 -13.144 616 HD2 PRO 76 2HD PRO 76 5.211 -5.086 -12.974 617 HD3 PRO 76 1HD PRO 76 4.579 -6.421 -11.989 618 H GLY 77 H GLY 77 10.017 -5.235 -10.483 619 HA2 GLY 77 2HA GLY 77 11.662 -4.049 -11.805 620 HA3 GLY 77 1HA GLY 77 10.348 -3.319 -12.723 621 H THR 78 H THR 78 9.655 -3.276 -9.406 622 HA THR 78 HA THR 78 10.531 -0.422 -9.273 623 HB THR 78 HB THR 78 8.086 -0.774 -9.110 624 HG1 THR 78 1HG THR 78 8.953 -0.095 -6.534 625 HG21 THR 78 3HG2 THR 78 7.186 -1.878 -7.074 626 HG22 THR 78 1HG2 THR 78 8.821 -2.385 -6.653 627 HG23 THR 78 2HG2 THR 78 8.059 -3.001 -8.119 628 H LYS 79 H LYS 79 11.009 0.296 -6.937 629 HA LYS 79 HA LYS 79 13.035 -1.538 -5.878 630 HB2 LYS 79 2HB LYS 79 12.190 1.234 -4.992 631 HB3 LYS 79 1HB LYS 79 13.584 0.353 -4.369 632 HG2 LYS 79 2HG LYS 79 14.478 0.217 -6.704 633 HG3 LYS 79 1HG LYS 79 13.144 1.241 -7.233 634 HD2 LYS 79 2HD LYS 79 15.109 2.038 -5.069 635 HD3 LYS 79 1HD LYS 79 15.282 2.498 -6.763 636 HE2 LYS 79 2HE LYS 79 12.861 3.406 -6.551 637 HE3 LYS 79 1HE LYS 79 13.128 3.308 -4.811 638 HZ1 LYS 79 3HZ LYS 79 15.367 4.498 -6.023 639 HZ2 LYS 79 1HZ LYS 79 14.292 5.172 -4.897 640 HZ3 LYS 79 2HZ LYS 79 13.970 5.303 -6.561 641 H MET 80 H MET 80 9.834 -1.640 -5.434 642 HA MET 80 HA MET 80 9.594 -1.555 -2.555 643 HB2 MET 80 2HB MET 80 7.904 -2.965 -4.644 644 HB3 MET 80 1HB MET 80 7.477 -2.843 -2.938 645 HG2 MET 80 2HG MET 80 8.108 -0.225 -3.654 646 HG3 MET 80 1HG MET 80 7.231 -0.847 -5.051 647 HE1 MET 80 3HE MET 80 4.853 -2.270 -4.704 648 HE2 MET 80 1HE MET 80 4.983 -0.614 -5.312 649 HE3 MET 80 2HE MET 80 3.723 -1.034 -4.158 650 H ALA 81 H ALA 81 10.548 -2.945 -1.187 651 HA ALA 81 HA ALA 81 11.212 -5.689 -2.161 652 HB1 ALA 81 1HB ALA 81 12.236 -4.381 0.364 653 HB2 ALA 81 2HB ALA 81 13.015 -4.125 -1.197 654 HB3 ALA 81 3HB ALA 81 12.928 -5.747 -0.510 655 H PHE 82 H PHE 82 8.563 -4.727 -1.205 656 HA PHE 82 HA PHE 82 8.204 -5.971 1.429 657 HB2 PHE 82 2HB PHE 82 6.912 -3.962 0.773 658 HB3 PHE 82 1HB PHE 82 6.171 -4.879 -0.539 659 HD1 PHE 82 2HD PHE 82 6.349 -4.429 3.114 660 HD2 PHE 82 1HD PHE 82 4.526 -6.614 -0.099 661 HE1 PHE 82 2HE PHE 82 4.623 -5.288 4.678 662 HE2 PHE 82 1HE PHE 82 2.804 -7.472 1.460 663 HZ PHE 82 HZ PHE 82 2.847 -6.810 3.847 664 H GLY 83 H GLY 83 7.571 -8.059 1.755 665 HA2 GLY 83 2HA GLY 83 7.347 -9.861 -0.525 666 HA3 GLY 83 1HA GLY 83 7.176 -10.315 1.172 667 H GLY 84 H GLY 84 5.446 -10.875 -1.272 668 HA2 GLY 84 2HA GLY 84 2.984 -9.399 -0.814 669 HA3 GLY 84 1HA GLY 84 3.157 -10.816 -1.849 670 H LEU 85 H LEU 85 1.158 -10.076 0.332 671 HA LEU 85 HA LEU 85 1.610 -12.355 2.202 672 HB2 LEU 85 2HB LEU 85 -0.567 -10.246 2.314 673 HB3 LEU 85 1HB LEU 85 -0.086 -11.355 3.599 674 HG LEU 85 HG LEU 85 1.590 -9.120 2.426 675 HD11 LEU 85 1HD1 LEU 85 0.044 -8.163 3.937 676 HD12 LEU 85 2HD1 LEU 85 1.491 -8.418 4.913 677 HD13 LEU 85 3HD1 LEU 85 0.134 -9.540 5.035 678 HD21 LEU 85 3HD2 LEU 85 3.114 -9.822 4.398 679 HD22 LEU 85 1HD2 LEU 85 3.139 -10.832 2.952 680 HD23 LEU 85 2HD2 LEU 85 2.220 -11.344 4.369 681 H LYS 86 H LYS 86 0.166 -14.106 2.228 682 HA LYS 86 HA LYS 86 -1.513 -14.420 -0.164 683 HB2 LYS 86 2HB LYS 86 -1.120 -16.253 2.225 684 HB3 LYS 86 1HB LYS 86 -1.919 -16.688 0.715 685 HG2 LYS 86 2HG LYS 86 0.192 -16.194 -0.509 686 HG3 LYS 86 1HG LYS 86 0.981 -15.871 1.037 687 HD2 LYS 86 2HD LYS 86 0.300 -18.197 1.764 688 HD3 LYS 86 1HD LYS 86 -0.213 -18.491 0.102 689 HE2 LYS 86 2HE LYS 86 2.162 -17.679 -0.547 690 HE3 LYS 86 1HE LYS 86 2.559 -17.965 1.146 691 HZ1 LYS 86 3HZ LYS 86 1.191 -20.036 -0.445 692 HZ2 LYS 86 1HZ LYS 86 2.133 -20.217 0.954 693 HZ3 LYS 86 2HZ LYS 86 2.879 -19.863 -0.531 694 H LYS 87 H LYS 87 -2.346 -15.322 3.161 695 HA LYS 87 HA LYS 87 -4.707 -13.529 3.064 696 HB2 LYS 87 2HB LYS 87 -5.438 -15.741 2.176 697 HB3 LYS 87 1HB LYS 87 -4.890 -16.497 3.673 698 HG2 LYS 87 2HG LYS 87 -6.453 -15.045 4.950 699 HG3 LYS 87 1HG LYS 87 -7.035 -14.366 3.430 700 HD2 LYS 87 2HD LYS 87 -7.662 -16.684 2.701 701 HD3 LYS 87 1HD LYS 87 -7.225 -17.259 4.310 702 HE2 LYS 87 2HE LYS 87 -9.682 -16.783 4.040 703 HE3 LYS 87 1HE LYS 87 -8.919 -15.866 5.338 704 HZ1 LYS 87 3HZ LYS 87 -9.054 -14.722 2.633 705 HZ2 LYS 87 1HZ LYS 87 -8.979 -13.930 4.131 706 HZ3 LYS 87 2HZ LYS 87 -10.427 -14.667 3.633 707 H GLU 88 H GLU 88 -4.677 -12.425 4.977 708 HA GLU 88 HA GLU 88 -4.297 -13.854 7.495 709 HB2 GLU 88 2HB GLU 88 -1.950 -13.467 6.663 710 HB3 GLU 88 1HB GLU 88 -2.266 -11.734 6.748 711 HG2 GLU 88 2HG GLU 88 -2.830 -11.998 9.166 712 HG3 GLU 88 1HG GLU 88 -2.375 -13.696 9.055 713 H LYS 89 H LYS 89 -5.026 -12.619 9.275 714 HA LYS 89 HA LYS 89 -6.943 -10.596 8.767 715 HB2 LYS 89 2HB LYS 89 -5.366 -11.158 11.301 716 HB3 LYS 89 1HB LYS 89 -6.798 -10.130 11.216 717 HG2 LYS 89 2HG LYS 89 -8.089 -12.070 10.318 718 HG3 LYS 89 1HG LYS 89 -6.663 -13.084 10.548 719 HD2 LYS 89 2HD LYS 89 -6.676 -12.484 12.972 720 HD3 LYS 89 1HD LYS 89 -8.175 -11.594 12.711 721 HE2 LYS 89 2HE LYS 89 -9.420 -13.519 12.353 722 HE3 LYS 89 1HE LYS 89 -8.025 -14.438 11.787 723 HZ1 LYS 89 3HZ LYS 89 -9.032 -14.096 14.456 724 HZ2 LYS 89 1HZ LYS 89 -7.366 -13.809 14.337 725 HZ3 LYS 89 2HZ LYS 89 -8.008 -15.298 13.827 726 H ASP 90 H ASP 90 -3.485 -10.407 9.456 727 HA ASP 90 HA ASP 90 -3.269 -7.629 9.944 728 HB2 ASP 90 2HB ASP 90 -1.355 -9.530 8.554 729 HB3 ASP 90 1HB ASP 90 -0.937 -7.895 9.059 730 H ARG 91 H ARG 91 -3.452 -9.452 6.898 731 HA ARG 91 HA ARG 91 -2.880 -7.317 5.115 732 HB2 ARG 91 2HB ARG 91 -3.127 -9.668 4.377 733 HB3 ARG 91 1HB ARG 91 -4.852 -9.596 4.738 734 HG2 ARG 91 2HG ARG 91 -5.120 -7.767 3.096 735 HG3 ARG 91 1HG ARG 91 -3.398 -7.854 2.724 736 HD2 ARG 91 2HD ARG 91 -4.647 -9.115 1.050 737 HD3 ARG 91 1HD ARG 91 -3.707 -10.235 2.038 738 HE ARG 91 HE ARG 91 -5.742 -11.173 2.754 739 HH11 ARG 91 1HH2 ARG 91 -6.162 -7.952 1.595 740 HH12 ARG 91 2HH2 ARG 91 -7.885 -7.975 1.764 741 HH21 ARG 91 1HH1 ARG 91 -7.989 -11.220 2.981 742 HH22 ARG 91 2HH1 ARG 91 -8.920 -9.825 2.549 743 H ASN 92 H ASN 92 -5.987 -8.362 6.540 744 HA ASN 92 HA ASN 92 -7.549 -6.312 5.272 745 HB2 ASN 92 2HB ASN 92 -7.943 -8.016 7.730 746 HB3 ASN 92 1HB ASN 92 -9.113 -6.781 7.276 747 HD21 ASN 92 1HD2 ASN 92 -10.076 -6.990 5.032 748 HD22 ASN 92 2HD2 ASN 92 -10.225 -8.539 4.353 749 H ASP 93 H ASP 93 -5.927 -6.486 8.437 750 HA ASP 93 HA ASP 93 -6.813 -3.913 9.346 751 HB2 ASP 93 2HB ASP 93 -4.390 -5.572 10.100 752 HB3 ASP 93 1HB ASP 93 -4.927 -4.135 10.967 753 H LEU 94 H LEU 94 -3.922 -4.983 7.570 754 HA LEU 94 HA LEU 94 -2.452 -2.576 7.657 755 HB2 LEU 94 2HB LEU 94 -1.564 -4.682 6.723 756 HB3 LEU 94 1HB LEU 94 -2.667 -4.535 5.355 757 HG LEU 94 HG LEU 94 -1.613 -2.392 4.731 758 HD11 LEU 94 1HD1 LEU 94 -0.726 -1.365 6.586 759 HD12 LEU 94 2HD1 LEU 94 0.738 -2.163 6.012 760 HD13 LEU 94 3HD1 LEU 94 -0.208 -2.887 7.313 761 HD21 LEU 94 3HD2 LEU 94 -0.209 -3.635 3.484 762 HD22 LEU 94 1HD2 LEU 94 -0.457 -4.987 4.590 763 HD23 LEU 94 2HD2 LEU 94 0.859 -3.847 4.871 764 H ILE 95 H ILE 95 -4.961 -3.581 5.318 765 HA ILE 95 HA ILE 95 -4.841 -1.154 3.786 766 HB ILE 95 HB ILE 95 -7.148 -3.075 4.160 767 HG12 ILE 95 2HG1 ILE 95 -5.032 -2.948 1.991 768 HG13 ILE 95 1HG1 ILE 95 -5.020 -4.101 3.326 769 HG21 ILE 95 1HG2 ILE 95 -7.021 -1.809 1.587 770 HG22 ILE 95 2HG2 ILE 95 -6.986 -0.564 2.836 771 HG23 ILE 95 3HG2 ILE 95 -8.311 -1.725 2.788 772 HD11 ILE 95 3HD1 ILE 95 -6.260 -4.489 0.876 773 HD12 ILE 95 1HD1 ILE 95 -7.593 -4.016 1.931 774 HD13 ILE 95 2HD1 ILE 95 -6.587 -5.404 2.348 775 H THR 96 H THR 96 -6.781 -2.185 6.559 776 HA THR 96 HA THR 96 -8.498 0.066 6.710 777 HB THR 96 HB THR 96 -7.399 -1.554 9.025 778 HG1 THR 96 1HG THR 96 -8.410 -2.720 7.224 779 HG21 THR 96 3HG2 THR 96 -10.018 -0.065 8.707 780 HG22 THR 96 1HG2 THR 96 -8.621 0.556 9.588 781 HG23 THR 96 2HG2 THR 96 -9.447 -0.896 10.153 782 H TYR 97 H TYR 97 -5.231 -0.470 8.032 783 HA TYR 97 HA TYR 97 -5.071 1.889 9.607 784 HB2 TYR 97 2HB TYR 97 -3.377 0.048 9.616 785 HB3 TYR 97 1HB TYR 97 -2.822 0.596 8.033 786 HD1 TYR 97 1HD TYR 97 -3.176 1.560 11.603 787 HD2 TYR 97 2HD TYR 97 -1.439 2.537 7.799 788 HE1 TYR 97 1HE TYR 97 -1.740 3.260 12.697 789 HE2 TYR 97 2HE TYR 97 -0.003 4.238 8.892 790 HH TYR 97 HH TYR 97 0.683 4.345 11.994 791 H LEU 98 H LEU 98 -4.092 1.378 6.196 792 HA LEU 98 HA LEU 98 -3.477 4.170 5.764 793 HB2 LEU 98 2HB LEU 98 -4.138 1.942 3.809 794 HB3 LEU 98 1HB LEU 98 -3.553 3.537 3.339 795 HG LEU 98 HG LEU 98 -2.079 1.612 5.162 796 HD11 LEU 98 1HD1 LEU 98 -0.542 2.065 2.905 797 HD12 LEU 98 2HD1 LEU 98 -2.174 1.954 2.247 798 HD13 LEU 98 3HD1 LEU 98 -1.514 0.624 3.198 799 HD21 LEU 98 3HD2 LEU 98 -1.708 4.443 4.344 800 HD22 LEU 98 1HD2 LEU 98 -0.259 3.438 4.309 801 HD23 LEU 98 2HD2 LEU 98 -1.171 3.617 5.806 802 H LYS 99 H LYS 99 -6.342 2.180 5.509 803 HA LYS 99 HA LYS 99 -8.009 3.853 3.970 804 HB2 LYS 99 2HB LYS 99 -8.547 1.531 4.836 805 HB3 LYS 99 1HB LYS 99 -8.863 2.268 6.406 806 HG2 LYS 99 2HG LYS 99 -10.554 3.750 5.314 807 HG3 LYS 99 1HG LYS 99 -10.307 2.855 3.816 808 HD2 LYS 99 2HD LYS 99 -10.975 0.767 4.948 809 HD3 LYS 99 1HD LYS 99 -11.238 1.665 6.443 810 HE2 LYS 99 2HE LYS 99 -13.196 2.582 5.705 811 HE3 LYS 99 1HE LYS 99 -12.616 2.737 4.047 812 HZ1 LYS 99 3HZ LYS 99 -14.294 0.786 5.067 813 HZ2 LYS 99 1HZ LYS 99 -12.819 0.010 4.751 814 HZ3 LYS 99 2HZ LYS 99 -13.615 0.854 3.510 815 H LYS 100 H LYS 100 -7.437 3.867 7.500 816 HA LYS 100 HA LYS 100 -9.205 6.032 8.098 817 HB2 LYS 100 2HB LYS 100 -6.687 5.089 9.492 818 HB3 LYS 100 1HB LYS 100 -7.816 6.262 10.170 819 HG2 LYS 100 2HG LYS 100 -9.635 4.580 9.994 820 HG3 LYS 100 1HG LYS 100 -8.461 3.404 9.398 821 HD2 LYS 100 2HD LYS 100 -7.168 3.616 11.475 822 HD3 LYS 100 1HD LYS 100 -8.309 4.819 12.071 823 HE2 LYS 100 2HE LYS 100 -10.093 3.205 12.151 824 HE3 LYS 100 1HE LYS 100 -9.130 2.014 11.278 825 HZ1 LYS 100 3HZ LYS 100 -7.565 2.644 13.394 826 HZ2 LYS 100 1HZ LYS 100 -8.570 1.281 13.292 827 HZ3 LYS 100 2HZ LYS 100 -9.122 2.686 14.071 828 H ALA 101 H ALA 101 -5.713 5.981 7.442 829 HA ALA 101 HA ALA 101 -5.281 8.784 7.735 830 HB1 ALA 101 1HB ALA 101 -3.332 8.270 6.070 831 HB2 ALA 101 2HB ALA 101 -3.848 6.593 6.248 832 HB3 ALA 101 3HB ALA 101 -3.314 7.507 7.660 833 H THR 102 H THR 102 -6.366 6.850 4.979 834 HA THR 102 HA THR 102 -6.427 9.267 3.269 835 HB THR 102 HB THR 102 -7.029 7.720 1.468 836 HG1 THR 102 1HG THR 102 -7.149 5.859 3.598 837 HG21 THR 102 3HG2 THR 102 -4.620 7.918 2.548 838 HG22 THR 102 1HG2 THR 102 -4.940 6.732 1.283 839 HG23 THR 102 2HG2 THR 102 -4.912 6.234 2.975 840 H GLU 103 H GLU 103 -8.374 8.022 5.591 841 HA GLU 103 HA GLU 103 -10.956 8.101 4.281 842 HB2 GLU 103 2HB GLU 103 -10.514 6.896 6.430 843 HB3 GLU 103 1HB GLU 103 -10.318 8.459 7.224 844 HG2 GLU 103 2HG GLU 103 -12.622 9.078 6.502 845 HG3 GLU 103 1HG GLU 103 -12.813 7.462 5.821 846 HHA HEC 201 HA HEC 104 4.736 3.305 -5.734 847 HHB HEC 201 HB HEC 104 1.106 0.360 -1.498 848 HHC HEC 201 HC HEC 104 6.212 -0.857 2.031 849 HHD HEC 201 HD HEC 104 9.847 2.096 -2.218 850 HMA1 HEC 201 1HMA HEC 104 -0.026 2.254 -2.560 851 HMA2 HEC 201 2HMA HEC 104 -0.248 0.983 -3.759 852 HMA3 HEC 201 3HMA HEC 104 -0.136 2.667 -4.270 853 HAA1 HEC 201 1HAA HEC 104 2.670 1.997 -6.711 854 HAA2 HEC 201 2HAA HEC 104 1.044 2.386 -6.178 855 HBA1 HEC 201 1HBA HEC 104 2.892 4.133 -7.355 856 HBA2 HEC 201 2HBA HEC 104 2.849 4.593 -5.653 857 HMB1 HEC 201 1HMB HEC 104 0.931 -1.644 -0.469 858 HMB2 HEC 201 2HMB HEC 104 1.420 -2.421 1.026 859 HMB3 HEC 201 3HMB HEC 104 0.488 -0.927 1.078 860 HAB HEC 201 HAB HEC 104 4.467 -1.677 3.115 861 HBB1 HEC 201 1HBB HEC 104 2.384 -1.930 4.434 862 HBB2 HEC 201 2HBB HEC 104 2.365 -2.891 2.962 863 HBB3 HEC 201 3HBB HEC 104 1.456 -1.381 3.050 864 HMC1 HEC 201 1HMC HEC 104 8.775 -1.983 1.488 865 HMC2 HEC 201 2HMC HEC 104 8.464 -0.863 2.815 866 HMC3 HEC 201 3HMC HEC 104 10.035 -0.863 2.010 867 HAC HEC 201 HAC HEC 104 10.866 2.066 -0.272 868 HBC1 HEC 201 1HBC HEC 104 12.283 0.018 1.018 869 HBC2 HEC 201 2HBC HEC 104 11.199 -0.811 -0.098 870 HBC3 HEC 201 3HBC HEC 104 12.326 0.404 -0.702 871 HMD1 HEC 201 1HMD HEC 104 10.495 3.376 -3.991 872 HMD2 HEC 201 2HMD HEC 104 9.900 3.788 -5.600 873 HMD3 HEC 201 3HMD HEC 104 10.099 2.097 -5.141 874 HAD1 HEC 201 1HAD HEC 104 7.973 5.206 -5.852 875 HAD2 HEC 201 2HAD HEC 104 6.301 4.795 -6.176 876 HBD1 HEC 201 1HBD HEC 104 8.579 4.310 -7.811 877 HBD2 HEC 201 2HBD HEC 104 7.930 2.748 -7.309 Start of MODEL 7 1 H1 THR -5 1HT THR -5 -14.344 -8.005 -2.145 2 H2 THR -5 2HT THR -5 -15.002 -7.821 -3.700 3 H3 THR -5 3HT THR -5 -16.025 -7.917 -2.347 4 HA THR -5 HA THR -5 -14.046 -5.745 -2.746 5 HB THR -5 HB THR -5 -15.506 -5.247 -4.470 6 HG1 THR -5 1HG THR -5 -15.948 -3.990 -2.241 7 HG21 THR -5 1HG2 THR -5 -16.849 -7.262 -4.306 8 HG22 THR -5 2HG2 THR -5 -17.931 -5.873 -4.410 9 HG23 THR -5 3HG2 THR -5 -17.647 -6.654 -2.856 10 H GLU -4 H GLU -4 -16.494 -7.373 -0.879 11 HA GLU -4 HA GLU -4 -17.219 -5.316 0.934 12 HB2 GLU -4 2HB GLU -4 -16.868 -8.285 1.460 13 HB3 GLU -4 1HB GLU -4 -17.721 -7.161 2.520 14 HG2 GLU -4 2HG GLU -4 -19.276 -6.620 0.656 15 HG3 GLU -4 1HG GLU -4 -18.456 -7.815 -0.348 16 H PHE -3 H PHE -3 -16.280 -4.592 2.872 17 HA PHE -3 HA PHE -3 -13.379 -5.195 3.137 18 HB2 PHE -3 2HB PHE -3 -14.069 -2.816 2.987 19 HB3 PHE -3 1HB PHE -3 -15.053 -3.023 4.436 20 HD1 PHE -3 1HD PHE -3 -14.026 -3.328 6.634 21 HD2 PHE -3 2HD PHE -3 -11.623 -2.821 3.108 22 HE1 PHE -3 1HE PHE -3 -12.032 -2.911 8.052 23 HE2 PHE -3 2HE PHE -3 -9.634 -2.402 4.526 24 HZ PHE -3 HZ PHE -3 -9.839 -2.448 6.997 25 H LYS -2 H LYS -2 -12.650 -6.421 4.812 26 HA LYS -2 HA LYS -2 -14.602 -7.412 6.784 27 HB2 LYS -2 2HB LYS -2 -12.852 -8.880 5.665 28 HB3 LYS -2 1HB LYS -2 -11.640 -8.032 6.627 29 HG2 LYS -2 2HG LYS -2 -12.983 -8.655 8.684 30 HG3 LYS -2 1HG LYS -2 -13.955 -9.698 7.646 31 HD2 LYS -2 2HD LYS -2 -10.940 -9.884 7.916 32 HD3 LYS -2 1HD LYS -2 -12.082 -10.915 8.779 33 HE2 LYS -2 2HE LYS -2 -12.969 -11.133 6.182 34 HE3 LYS -2 1HE LYS -2 -11.222 -11.017 5.968 35 HZ1 LYS -2 3HZ LYS -2 -10.854 -12.930 7.133 36 HZ2 LYS -2 1HZ LYS -2 -12.351 -13.303 6.430 37 HZ3 LYS -2 2HZ LYS -2 -12.279 -12.793 8.049 38 H ALA -1 H ALA -1 -14.782 -6.588 8.827 39 HA ALA -1 HA ALA -1 -13.476 -4.200 9.616 40 HB1 ALA -1 1HB ALA -1 -14.359 -4.641 11.850 41 HB2 ALA -1 2HB ALA -1 -14.645 -6.330 11.429 42 HB3 ALA -1 3HB ALA -1 -15.575 -5.054 10.644 43 H GLY 1 H GLY 1 -11.225 -4.421 9.326 44 HA2 GLY 1 2HA GLY 1 -9.859 -6.442 11.041 45 HA3 GLY 1 1HA GLY 1 -9.117 -5.611 9.672 46 H SER 2 H SER 2 -8.907 -5.736 12.899 47 HA SER 2 HA SER 2 -9.082 -3.027 13.769 48 HB2 SER 2 2HB SER 2 -7.201 -5.203 14.734 49 HB3 SER 2 1HB SER 2 -7.582 -3.718 15.600 50 HG SER 2 HG SER 2 -9.812 -5.043 14.792 51 H ALA 3 H ALA 3 -7.656 -1.321 13.596 52 HA ALA 3 HA ALA 3 -5.553 -1.523 11.585 53 HB1 ALA 3 1HB ALA 3 -7.087 0.560 12.794 54 HB2 ALA 3 2HB ALA 3 -5.994 0.674 11.414 55 HB3 ALA 3 3HB ALA 3 -5.380 0.930 13.048 56 H LYS 4 H LYS 4 -5.718 -1.829 15.024 57 HA LYS 4 HA LYS 4 -3.132 -0.949 15.777 58 HB2 LYS 4 2HB LYS 4 -4.942 -1.651 17.358 59 HB3 LYS 4 1HB LYS 4 -4.626 -3.328 16.913 60 HG2 LYS 4 2HG LYS 4 -2.268 -3.057 17.650 61 HG3 LYS 4 1HG LYS 4 -2.636 -1.409 18.159 62 HD2 LYS 4 2HD LYS 4 -4.413 -2.340 19.670 63 HD3 LYS 4 1HD LYS 4 -3.855 -3.960 19.250 64 HE2 LYS 4 2HE LYS 4 -2.479 -3.699 21.045 65 HE3 LYS 4 1HE LYS 4 -1.497 -2.757 19.922 66 HZ1 LYS 4 3HZ LYS 4 -3.593 -1.671 21.724 67 HZ2 LYS 4 1HZ LYS 4 -2.668 -0.763 20.631 68 HZ3 LYS 4 2HZ LYS 4 -1.916 -1.528 21.951 69 H LYS 5 H LYS 5 -4.167 -4.220 14.727 70 HA LYS 5 HA LYS 5 -1.527 -5.342 14.860 71 HB2 LYS 5 2HB LYS 5 -3.645 -6.680 14.748 72 HB3 LYS 5 1HB LYS 5 -3.824 -6.187 13.066 73 HG2 LYS 5 2HG LYS 5 -2.762 -8.280 12.896 74 HG3 LYS 5 1HG LYS 5 -1.420 -7.144 12.763 75 HD2 LYS 5 2HD LYS 5 -0.820 -7.470 15.079 76 HD3 LYS 5 1HD LYS 5 -2.282 -8.409 15.378 77 HE2 LYS 5 2HE LYS 5 -0.275 -9.269 13.297 78 HE3 LYS 5 1HE LYS 5 -0.077 -9.709 14.994 79 HZ1 LYS 5 3HZ LYS 5 -1.314 -11.455 14.258 80 HZ2 LYS 5 1HZ LYS 5 -2.129 -10.545 13.081 81 HZ3 LYS 5 2HZ LYS 5 -2.571 -10.407 14.716 82 H GLY 6 H GLY 6 -3.420 -4.101 12.097 83 HA2 GLY 6 2HA GLY 6 -1.330 -4.407 10.169 84 HA3 GLY 6 1HA GLY 6 -2.721 -3.341 10.000 85 H ALA 7 H ALA 7 -2.098 -1.833 12.454 86 HA ALA 7 HA ALA 7 -0.550 0.254 11.347 87 HB1 ALA 7 1HB ALA 7 -0.311 1.034 13.742 88 HB2 ALA 7 2HB ALA 7 -1.101 -0.462 14.237 89 HB3 ALA 7 3HB ALA 7 -1.971 0.706 13.242 90 H THR 8 H THR 8 0.450 -2.383 13.529 91 HA THR 8 HA THR 8 3.206 -1.500 13.633 92 HB THR 8 HB THR 8 3.628 -3.643 14.708 93 HG1 THR 8 1HG THR 8 2.030 -4.636 13.100 94 HG21 THR 8 3HG2 THR 8 0.891 -2.633 15.514 95 HG22 THR 8 1HG2 THR 8 2.411 -1.878 15.987 96 HG23 THR 8 2HG2 THR 8 2.030 -3.510 16.536 97 H LEU 9 H LEU 9 1.379 -3.793 11.627 98 HA LEU 9 HA LEU 9 3.589 -4.966 10.265 99 HB2 LEU 9 2HB LEU 9 1.183 -5.713 10.076 100 HB3 LEU 9 1HB LEU 9 0.879 -4.298 9.070 101 HG LEU 9 HG LEU 9 2.946 -5.201 7.699 102 HD11 LEU 9 1HD1 LEU 9 2.961 -7.703 7.714 103 HD12 LEU 9 2HD1 LEU 9 1.908 -7.667 9.128 104 HD13 LEU 9 3HD1 LEU 9 3.539 -7.004 9.225 105 HD21 LEU 9 3HD2 LEU 9 0.641 -4.990 6.842 106 HD22 LEU 9 1HD2 LEU 9 0.211 -6.518 7.612 107 HD23 LEU 9 2HD2 LEU 9 1.379 -6.493 6.289 108 H PHE 10 H PHE 10 1.746 -2.008 9.706 109 HA PHE 10 HA PHE 10 3.043 -1.189 7.288 110 HB2 PHE 10 2HB PHE 10 0.932 -0.203 8.245 111 HB3 PHE 10 1HB PHE 10 1.906 0.561 9.496 112 HD1 PHE 10 1HD PHE 10 1.202 0.456 5.858 113 HD2 PHE 10 2HD PHE 10 3.264 2.481 9.034 114 HE1 PHE 10 1HE PHE 10 1.696 2.348 4.333 115 HE2 PHE 10 2HE PHE 10 3.755 4.369 7.508 116 HZ PHE 10 HZ PHE 10 2.977 4.303 5.161 117 H LYS 11 H LYS 11 3.663 -0.455 10.707 118 HA LYS 11 HA LYS 11 5.949 1.208 10.310 119 HB2 LYS 11 2HB LYS 11 4.588 0.917 12.448 120 HB3 LYS 11 1HB LYS 11 5.450 -0.601 12.683 121 HG2 LYS 11 2HG LYS 11 7.607 0.617 12.605 122 HG3 LYS 11 1HG LYS 11 6.728 2.137 12.431 123 HD2 LYS 11 2HD LYS 11 5.562 1.643 14.597 124 HD3 LYS 11 1HD LYS 11 6.604 0.233 14.786 125 HE2 LYS 11 2HE LYS 11 8.563 1.903 14.444 126 HE3 LYS 11 1HE LYS 11 7.368 3.149 14.802 127 HZ1 LYS 11 3HZ LYS 11 7.608 2.703 16.940 128 HZ2 LYS 11 1HZ LYS 11 8.734 1.483 16.595 129 HZ3 LYS 11 2HZ LYS 11 7.078 1.109 16.686 130 H THR 12 H THR 12 5.605 -2.290 10.737 131 HA THR 12 HA THR 12 8.420 -2.835 10.932 132 HB THR 12 HB THR 12 7.792 -5.166 10.614 133 HG1 THR 12 1HG THR 12 6.249 -4.589 8.901 134 HG21 THR 12 3HG2 THR 12 7.100 -5.007 12.747 135 HG22 THR 12 1HG2 THR 12 5.466 -4.746 12.139 136 HG23 THR 12 2HG2 THR 12 6.510 -3.367 12.483 137 H ARG 13 H ARG 13 6.230 -2.610 8.134 138 HA ARG 13 HA ARG 13 8.634 -2.630 6.414 139 HB2 ARG 13 2HB ARG 13 6.345 -4.587 6.094 140 HB3 ARG 13 1HB ARG 13 7.589 -4.310 4.875 141 HG2 ARG 13 2HG ARG 13 9.320 -4.917 6.591 142 HG3 ARG 13 1HG ARG 13 8.011 -5.346 7.693 143 HD2 ARG 13 2HD ARG 13 7.158 -6.942 5.940 144 HD3 ARG 13 1HD ARG 13 8.621 -6.613 5.011 145 HE ARG 13 HE ARG 13 9.273 -7.399 7.713 146 HH11 ARG 13 1HH2 ARG 13 8.210 -8.511 4.627 147 HH12 ARG 13 2HH2 ARG 13 8.876 -10.098 4.821 148 HH21 ARG 13 1HH1 ARG 13 10.148 -9.465 7.984 149 HH22 ARG 13 2HH1 ARG 13 9.972 -10.639 6.722 150 H CYS 14 H CYS 14 7.359 -0.324 6.705 151 HA CYS 14 HA CYS 14 6.333 0.226 4.082 152 HB2 CYS 14 2HB CYS 14 4.390 -0.941 5.458 153 HB3 CYS 14 1HB CYS 14 4.205 0.681 6.123 154 H LEU 15 H LEU 15 5.956 1.417 7.436 155 HA LEU 15 HA LEU 15 5.905 4.170 6.798 156 HB2 LEU 15 2HB LEU 15 5.426 3.230 9.059 157 HB3 LEU 15 1HB LEU 15 7.144 2.891 9.255 158 HG LEU 15 HG LEU 15 7.484 5.421 8.751 159 HD11 LEU 15 1HD1 LEU 15 5.499 6.771 9.558 160 HD12 LEU 15 2HD1 LEU 15 4.533 5.302 9.429 161 HD13 LEU 15 3HD1 LEU 15 5.273 6.003 7.988 162 HD21 LEU 15 3HD2 LEU 15 7.887 4.419 10.940 163 HD22 LEU 15 1HD2 LEU 15 6.162 4.454 11.300 164 HD23 LEU 15 2HD2 LEU 15 7.060 5.964 11.143 165 H GLN 16 H GLN 16 8.671 2.000 7.270 166 HA GLN 16 HA GLN 16 10.717 3.965 7.275 167 HB2 GLN 16 2HB GLN 16 10.757 1.139 6.174 168 HB3 GLN 16 1HB GLN 16 12.192 2.127 6.453 169 HG2 GLN 16 2HG GLN 16 11.537 2.327 8.854 170 HG3 GLN 16 1HG GLN 16 10.191 1.229 8.546 171 HE21 GLN 16 1HE2 GLN 16 12.576 0.187 6.496 172 HE22 GLN 16 2HE2 GLN 16 13.324 -0.968 7.489 173 H CYS 17 H CYS 17 8.964 2.469 4.583 174 HA CYS 17 HA CYS 17 10.631 3.980 2.649 175 HB2 CYS 17 2HB CYS 17 8.455 1.910 2.298 176 HB3 CYS 17 1HB CYS 17 9.239 2.740 0.954 177 H HIS 18 H HIS 18 7.215 3.695 3.642 178 HA HIS 18 HA HIS 18 6.631 6.153 2.057 179 HB2 HIS 18 2HB HIS 18 4.859 3.967 3.180 180 HB3 HIS 18 1HB HIS 18 4.219 5.466 2.497 181 HD1 HIS 18 1HD HIS 18 4.968 5.932 -0.090 182 HD2 HIS 18 2HD HIS 18 5.466 2.046 1.315 183 HE1 HIS 18 1HE HIS 18 5.179 4.450 -2.143 184 H THR 19 H THR 19 6.431 8.029 3.163 185 HA THR 19 HA THR 19 6.272 7.969 6.105 186 HB THR 19 HB THR 19 6.659 10.370 5.972 187 HG1 THR 19 1HG THR 19 5.979 9.912 3.287 188 HG21 THR 19 3HG2 THR 19 8.742 10.351 4.491 189 HG22 THR 19 1HG2 THR 19 8.308 8.692 4.076 190 HG23 THR 19 2HG2 THR 19 8.674 9.116 5.750 191 H VAL 20 H VAL 20 4.197 8.476 3.368 192 HA VAL 20 HA VAL 20 1.967 9.253 3.221 193 HB VAL 20 HB VAL 20 1.737 7.698 5.809 194 HG11 VAL 20 1HG1 VAL 20 -0.168 9.070 4.395 195 HG12 VAL 20 2HG1 VAL 20 -0.502 7.661 5.403 196 HG13 VAL 20 3HG1 VAL 20 -0.279 7.467 3.665 197 HG21 VAL 20 3HG2 VAL 20 1.876 6.721 2.940 198 HG22 VAL 20 1HG2 VAL 20 1.400 5.720 4.313 199 HG23 VAL 20 2HG2 VAL 20 3.035 6.376 4.223 200 H GLU 21 H GLU 21 2.972 11.469 3.893 201 HA GLU 21 HA GLU 21 1.830 12.325 6.522 202 HB2 GLU 21 2HB GLU 21 3.983 13.619 4.820 203 HB3 GLU 21 1HB GLU 21 3.396 14.236 6.365 204 HG2 GLU 21 2HG GLU 21 4.680 11.519 5.956 205 HG3 GLU 21 1HG GLU 21 5.496 12.933 6.625 206 H LYS 22 H LYS 22 0.407 14.091 6.548 207 HA LYS 22 HA LYS 22 -1.144 14.564 4.187 208 HB2 LYS 22 2HB LYS 22 -2.325 16.218 5.500 209 HB3 LYS 22 1HB LYS 22 -1.952 14.855 6.553 210 HG2 LYS 22 2HG LYS 22 0.091 16.086 7.330 211 HG3 LYS 22 1HG LYS 22 -0.437 17.475 6.383 212 HD2 LYS 22 2HD LYS 22 -2.641 17.348 7.665 213 HD3 LYS 22 1HD LYS 22 -1.835 16.211 8.748 214 HE2 LYS 22 2HE LYS 22 -0.717 18.953 8.117 215 HE3 LYS 22 1HE LYS 22 -1.774 18.642 9.494 216 HZ1 LYS 22 3HZ LYS 22 0.649 18.520 9.987 217 HZ2 LYS 22 1HZ LYS 22 0.739 17.152 8.990 218 HZ3 LYS 22 2HZ LYS 22 -0.220 17.118 10.393 219 H GLY 23 H GLY 23 1.556 16.308 5.661 220 HA2 GLY 23 2HA GLY 23 1.797 17.873 3.147 221 HA3 GLY 23 1HA GLY 23 1.731 18.758 4.672 222 H GLY 24 H GLY 24 3.395 15.731 3.745 223 HA2 GLY 24 2HA GLY 24 5.931 16.976 4.739 224 HA3 GLY 24 1HA GLY 24 5.565 15.259 4.896 225 HA PRO 25 HA PRO 25 7.794 16.236 0.814 226 HB2 PRO 25 2HB PRO 25 10.295 15.383 1.459 227 HB3 PRO 25 1HB PRO 25 9.753 17.048 1.744 228 HG2 PRO 25 2HG PRO 25 9.970 14.775 3.657 229 HG3 PRO 25 1HG PRO 25 10.383 16.481 3.880 230 HD2 PRO 25 2HD PRO 25 8.053 15.376 4.811 231 HD3 PRO 25 1HD PRO 25 8.202 17.089 4.359 232 H HIS 26 H HIS 26 9.479 14.422 -0.223 233 HA HIS 26 HA HIS 26 8.045 11.837 0.169 234 HB2 HIS 26 2HB HIS 26 9.635 12.923 -2.171 235 HB3 HIS 26 1HB HIS 26 9.011 11.276 -2.094 236 HD1 HIS 26 1HD HIS 26 6.464 10.940 -2.347 237 HD2 HIS 26 2HD HIS 26 7.627 14.943 -2.502 238 HE1 HIS 26 1HE HIS 26 4.453 12.238 -3.178 239 HE2 HIS 26 2HE HIS 26 5.148 14.677 -3.268 240 H LYS 27 H LYS 27 9.173 10.064 0.859 241 HA LYS 27 HA LYS 27 12.155 10.252 0.939 242 HB2 LYS 27 2HB LYS 27 11.171 10.720 3.191 243 HB3 LYS 27 1HB LYS 27 10.402 9.132 3.146 244 HG2 LYS 27 2HG LYS 27 12.638 8.080 2.893 245 HG3 LYS 27 1HG LYS 27 13.384 9.674 3.022 246 HD2 LYS 27 2HD LYS 27 12.290 9.944 5.262 247 HD3 LYS 27 1HD LYS 27 11.717 8.280 5.136 248 HE2 LYS 27 2HE LYS 27 13.928 7.403 5.170 249 HE3 LYS 27 1HE LYS 27 14.642 8.985 4.856 250 HZ1 LYS 27 3HZ LYS 27 13.541 7.900 7.343 251 HZ2 LYS 27 1HZ LYS 27 13.399 9.568 7.069 252 HZ3 LYS 27 2HZ LYS 27 14.933 8.840 7.095 253 H VAL 28 H VAL 28 13.112 8.457 0.079 254 HA VAL 28 HA VAL 28 13.283 6.346 -0.934 255 HB VAL 28 HB VAL 28 11.384 5.696 1.339 256 HG11 VAL 28 1HG1 VAL 28 12.840 3.974 -0.662 257 HG12 VAL 28 2HG1 VAL 28 11.151 3.890 -0.163 258 HG13 VAL 28 3HG1 VAL 28 12.423 3.353 0.934 259 HG21 VAL 28 3HG2 VAL 28 14.117 6.420 1.291 260 HG22 VAL 28 1HG2 VAL 28 14.081 4.676 1.550 261 HG23 VAL 28 2HG2 VAL 28 13.216 5.749 2.651 262 H GLY 29 H GLY 29 9.951 5.840 0.137 263 HA2 GLY 29 2HA GLY 29 9.169 5.629 -2.729 264 HA3 GLY 29 1HA GLY 29 8.296 4.895 -1.383 265 HA PRO 30 HA PRO 30 6.647 9.227 -2.734 266 HB2 PRO 30 2HB PRO 30 4.254 8.245 -3.749 267 HB3 PRO 30 1HB PRO 30 5.673 8.671 -4.722 268 HG2 PRO 30 2HG PRO 30 4.754 6.005 -3.788 269 HG3 PRO 30 1HG PRO 30 5.489 6.477 -5.330 270 HD2 PRO 30 2HD PRO 30 6.917 5.212 -3.408 271 HD3 PRO 30 1HD PRO 30 7.655 6.434 -4.469 272 H ASN 31 H ASN 31 4.912 10.304 -1.603 273 HA ASN 31 HA ASN 31 4.088 8.921 0.856 274 HB2 ASN 31 2HB ASN 31 3.337 11.703 -0.086 275 HB3 ASN 31 1HB ASN 31 3.268 11.081 1.563 276 HD21 ASN 31 1HD2 ASN 31 5.771 9.788 1.773 277 HD22 ASN 31 2HD2 ASN 31 7.009 10.938 1.613 278 H LEU 32 H LEU 32 2.055 8.072 1.210 279 HA LEU 32 HA LEU 32 0.115 8.281 -1.036 280 HB2 LEU 32 2HB LEU 32 0.324 6.365 1.301 281 HB3 LEU 32 1HB LEU 32 -1.030 6.376 0.172 282 HG LEU 32 HG LEU 32 0.603 6.063 -1.704 283 HD11 LEU 32 1HD1 LEU 32 2.863 5.074 -0.771 284 HD12 LEU 32 2HD1 LEU 32 2.489 6.077 0.630 285 HD13 LEU 32 3HD1 LEU 32 2.676 6.818 -0.959 286 HD21 LEU 32 3HD2 LEU 32 1.218 3.664 -0.994 287 HD22 LEU 32 1HD2 LEU 32 -0.494 4.087 -0.966 288 HD23 LEU 32 2HD2 LEU 32 0.426 4.042 0.536 289 H HIS 33 H HIS 33 -1.807 9.324 -0.789 290 HA HIS 33 HA HIS 33 -3.006 9.787 1.828 291 HB2 HIS 33 2HB HIS 33 -1.303 11.582 1.799 292 HB3 HIS 33 1HB HIS 33 -1.929 12.149 0.250 293 HD1 HIS 33 1HD HIS 33 -4.100 13.509 0.262 294 HD2 HIS 33 2HD HIS 33 -3.076 12.051 4.034 295 HE1 HIS 33 1HE HIS 33 -5.644 14.649 1.916 296 HE2 HIS 33 2HE HIS 33 -5.030 13.769 4.214 297 H GLY 34 H GLY 34 -4.969 9.032 1.096 298 HA2 GLY 34 2HA GLY 34 -7.089 9.317 0.069 299 HA3 GLY 34 1HA GLY 34 -6.446 10.716 -0.796 300 H ILE 35 H ILE 35 -4.355 8.097 -1.004 301 HA ILE 35 HA ILE 35 -4.533 7.836 -3.815 302 HB ILE 35 HB ILE 35 -2.648 7.068 -2.253 303 HG12 ILE 35 2HG1 ILE 35 -3.503 4.946 -4.229 304 HG13 ILE 35 1HG1 ILE 35 -2.936 6.529 -4.762 305 HG21 ILE 35 1HG2 ILE 35 -4.289 4.529 -2.154 306 HG22 ILE 35 2HG2 ILE 35 -4.279 5.705 -0.840 307 HG23 ILE 35 3HG2 ILE 35 -2.789 4.881 -1.297 308 HD11 ILE 35 3HD1 ILE 35 -0.837 6.186 -3.483 309 HD12 ILE 35 1HD1 ILE 35 -1.067 4.943 -4.713 310 HD13 ILE 35 2HD1 ILE 35 -1.401 4.581 -3.019 311 H PHE 36 H PHE 36 -6.493 6.465 -1.310 312 HA PHE 36 HA PHE 36 -7.454 4.155 -2.697 313 HB2 PHE 36 2HB PHE 36 -8.713 5.912 -0.574 314 HB3 PHE 36 1HB PHE 36 -9.429 4.407 -1.143 315 HD1 PHE 36 1HD PHE 36 -6.570 5.902 0.669 316 HD2 PHE 36 2HD PHE 36 -8.470 2.255 -0.582 317 HE1 PHE 36 1HE PHE 36 -5.129 4.613 2.223 318 HE2 PHE 36 2HE PHE 36 -7.024 0.971 0.970 319 HZ PHE 36 HZ PHE 36 -5.354 2.149 2.369 320 H GLY 37 H GLY 37 -8.942 3.986 -4.333 321 HA2 GLY 37 2HA GLY 37 -10.614 4.610 -5.865 322 HA3 GLY 37 1HA GLY 37 -10.988 5.978 -4.815 323 H ARG 38 H ARG 38 -7.721 5.495 -5.963 324 HA ARG 38 HA ARG 38 -8.123 7.650 -7.983 325 HB2 ARG 38 2HB ARG 38 -5.924 7.544 -5.898 326 HB3 ARG 38 1HB ARG 38 -6.019 8.717 -7.214 327 HG2 ARG 38 2HG ARG 38 -8.277 9.407 -6.341 328 HG3 ARG 38 1HG ARG 38 -8.000 8.358 -4.949 329 HD2 ARG 38 2HD ARG 38 -5.831 9.645 -4.573 330 HD3 ARG 38 1HD ARG 38 -6.420 10.800 -5.766 331 HE ARG 38 HE ARG 38 -7.430 10.487 -3.040 332 HH11 ARG 38 1HH2 ARG 38 -8.026 11.507 -6.281 333 HH12 ARG 38 2HH2 ARG 38 -9.258 12.640 -5.838 334 HH21 ARG 38 1HH1 ARG 38 -9.038 11.962 -2.446 335 HH22 ARG 38 2HH1 ARG 38 -9.831 12.898 -3.667 336 H HIS 39 H HIS 39 -6.220 7.795 -9.501 337 HA HIS 39 HA HIS 39 -5.244 5.052 -10.090 338 HB2 HIS 39 2HB HIS 39 -5.373 7.556 -11.796 339 HB3 HIS 39 1HB HIS 39 -4.704 6.017 -12.340 340 HD1 HIS 39 1HD HIS 39 -7.951 7.681 -11.423 341 HD2 HIS 39 2HD HIS 39 -6.634 3.992 -12.860 342 HE1 HIS 39 1HE HIS 39 -10.019 6.419 -12.166 343 HE2 HIS 39 2HE HIS 39 -9.229 4.175 -13.045 344 H SER 40 H SER 40 -3.015 4.653 -10.412 345 HA SER 40 HA SER 40 -1.198 6.105 -8.771 346 HB2 SER 40 2HB SER 40 -0.427 4.377 -11.131 347 HB3 SER 40 1HB SER 40 0.516 4.691 -9.677 348 HG SER 40 HG SER 40 -2.056 3.528 -9.568 349 H GLY 41 H GLY 41 0.578 7.470 -9.373 350 HA2 GLY 41 2HA GLY 41 1.822 8.846 -10.894 351 HA3 GLY 41 1HA GLY 41 0.593 8.555 -12.122 352 H GLN 42 H GLN 42 -1.256 9.203 -9.560 353 HA GLN 42 HA GLN 42 -1.959 11.831 -10.444 354 HB2 GLN 42 2HB GLN 42 -3.472 10.272 -9.180 355 HB3 GLN 42 1HB GLN 42 -2.535 10.627 -7.727 356 HG2 GLN 42 2HG GLN 42 -3.009 13.079 -8.130 357 HG3 GLN 42 1HG GLN 42 -4.128 12.585 -9.399 358 HE21 GLN 42 1HE2 GLN 42 -6.243 12.203 -8.720 359 HE22 GLN 42 2HE2 GLN 42 -6.706 11.890 -7.119 360 H ALA 43 H ALA 43 0.096 10.718 -7.758 361 HA ALA 43 HA ALA 43 0.463 13.243 -6.511 362 HB1 ALA 43 1HB ALA 43 1.213 10.999 -5.613 363 HB2 ALA 43 2HB ALA 43 2.412 12.283 -5.466 364 HB3 ALA 43 3HB ALA 43 2.565 11.076 -6.743 365 H GLU 44 H GLU 44 2.318 11.683 -9.109 366 HA GLU 44 HA GLU 44 3.793 12.574 -10.689 367 HB2 GLU 44 2HB GLU 44 2.327 15.150 -10.039 368 HB3 GLU 44 1HB GLU 44 3.334 14.863 -11.457 369 HG2 GLU 44 2HG GLU 44 1.827 12.999 -12.119 370 HG3 GLU 44 1HG GLU 44 0.790 13.378 -10.744 371 H GLY 45 H GLY 45 3.680 14.028 -7.516 372 HA2 GLY 45 2HA GLY 45 5.932 15.751 -7.700 373 HA3 GLY 45 1HA GLY 45 5.368 14.989 -6.213 374 H TYR 46 H TYR 46 5.683 12.263 -7.183 375 HA TYR 46 HA TYR 46 8.671 12.121 -7.141 376 HB2 TYR 46 2HB TYR 46 7.431 11.171 -5.161 377 HB3 TYR 46 1HB TYR 46 6.695 10.003 -6.255 378 HD1 TYR 46 1HD TYR 46 9.949 11.223 -4.927 379 HD2 TYR 46 2HD TYR 46 7.886 8.074 -6.996 380 HE1 TYR 46 1HE TYR 46 11.962 9.787 -4.745 381 HE2 TYR 46 2HE TYR 46 9.903 6.638 -6.817 382 HH TYR 46 HH TYR 46 12.931 7.815 -6.015 383 H SER 47 H SER 47 9.683 11.008 -8.777 384 HA SER 47 HA SER 47 8.269 10.413 -11.187 385 HB2 SER 47 2HB SER 47 10.978 9.372 -10.307 386 HB3 SER 47 1HB SER 47 10.371 9.426 -11.960 387 HG SER 47 HG SER 47 10.668 11.686 -10.264 388 H TYR 48 H TYR 48 7.852 8.338 -12.159 389 HA TYR 48 HA TYR 48 7.528 6.136 -10.157 390 HB2 TYR 48 2HB TYR 48 5.845 6.873 -12.565 391 HB3 TYR 48 1HB TYR 48 5.669 5.353 -11.688 392 HD1 TYR 48 2HD TYR 48 5.290 9.025 -11.483 393 HD2 TYR 48 1HD TYR 48 4.738 5.280 -9.453 394 HE1 TYR 48 2HE TYR 48 3.873 10.151 -9.785 395 HE2 TYR 48 1HE TYR 48 3.324 6.406 -7.757 396 HH TYR 48 HH TYR 48 2.189 8.302 -7.281 397 H THR 49 H THR 49 8.053 4.013 -10.850 398 HA THR 49 HA THR 49 10.159 3.890 -12.856 399 HB THR 49 HB THR 49 10.388 1.585 -12.205 400 HG1 THR 49 1HG THR 49 8.205 1.565 -10.532 401 HG21 THR 49 3HG2 THR 49 11.265 2.269 -10.254 402 HG22 THR 49 1HG2 THR 49 9.658 2.259 -9.529 403 HG23 THR 49 2HG2 THR 49 10.263 3.718 -10.313 404 H ASP 50 H ASP 50 10.072 2.250 -14.644 405 HA ASP 50 HA ASP 50 7.948 2.737 -16.430 406 HB2 ASP 50 2HB ASP 50 9.890 0.427 -16.300 407 HB3 ASP 50 1HB ASP 50 8.815 0.724 -17.663 408 H ALA 51 H ALA 51 8.322 0.181 -14.018 409 HA ALA 51 HA ALA 51 6.328 -1.604 -14.852 410 HB1 ALA 51 1HB ALA 51 6.466 -2.521 -12.749 411 HB2 ALA 51 2HB ALA 51 6.439 -0.956 -11.943 412 HB3 ALA 51 3HB ALA 51 7.922 -1.528 -12.706 413 H ASN 52 H ASN 52 5.630 0.644 -12.159 414 HA ASN 52 HA ASN 52 2.830 0.513 -12.456 415 HB2 ASN 52 2HB ASN 52 4.024 1.490 -10.486 416 HB3 ASN 52 1HB ASN 52 4.387 2.914 -11.463 417 HD21 ASN 52 1HD2 ASN 52 1.620 1.002 -10.169 418 HD22 ASN 52 2HD2 ASN 52 0.523 2.300 -10.194 419 H ILE 53 H ILE 53 5.108 2.812 -13.982 420 HA ILE 53 HA ILE 53 3.141 4.466 -15.188 421 HB ILE 53 HB ILE 53 5.906 3.710 -16.169 422 HG12 ILE 53 2HG1 ILE 53 4.944 6.170 -14.680 423 HG13 ILE 53 1HG1 ILE 53 5.740 4.801 -13.905 424 HG21 ILE 53 1HG2 ILE 53 5.224 6.269 -17.049 425 HG22 ILE 53 2HG2 ILE 53 3.776 5.303 -17.333 426 HG23 ILE 53 3HG2 ILE 53 5.315 4.813 -18.038 427 HD11 ILE 53 3HD1 ILE 53 7.776 5.192 -15.041 428 HD12 ILE 53 1HD1 ILE 53 7.222 6.806 -14.595 429 HD13 ILE 53 2HD1 ILE 53 7.005 6.224 -16.246 430 H LYS 54 H LYS 54 4.904 1.683 -16.603 431 HA LYS 54 HA LYS 54 3.370 1.599 -19.013 432 HB2 LYS 54 2HB LYS 54 5.547 0.405 -18.655 433 HB3 LYS 54 1HB LYS 54 4.702 -0.733 -17.603 434 HG2 LYS 54 2HG LYS 54 3.182 -1.311 -19.481 435 HG3 LYS 54 1HG LYS 54 4.089 -0.222 -20.529 436 HD2 LYS 54 2HD LYS 54 6.154 -1.558 -20.030 437 HD3 LYS 54 1HD LYS 54 5.146 -2.703 -19.147 438 HE2 LYS 54 2HE LYS 54 3.753 -2.557 -21.464 439 HE3 LYS 54 1HE LYS 54 5.380 -2.254 -22.072 440 HZ1 LYS 54 3HZ LYS 54 6.045 -4.327 -21.589 441 HZ2 LYS 54 1HZ LYS 54 4.388 -4.689 -21.648 442 HZ3 LYS 54 2HZ LYS 54 5.143 -4.412 -20.152 443 H LYS 55 H LYS 55 2.947 0.020 -15.865 444 HA LYS 55 HA LYS 55 0.266 -0.940 -16.788 445 HB2 LYS 55 2HB LYS 55 1.898 -2.684 -15.989 446 HB3 LYS 55 1HB LYS 55 1.890 -1.897 -14.411 447 HG2 LYS 55 2HG LYS 55 -0.557 -2.248 -14.253 448 HG3 LYS 55 1HG LYS 55 -0.531 -3.065 -15.816 449 HD2 LYS 55 2HD LYS 55 1.106 -4.712 -14.856 450 HD3 LYS 55 1HD LYS 55 0.875 -3.949 -13.282 451 HE2 LYS 55 2HE LYS 55 -1.228 -5.338 -14.962 452 HE3 LYS 55 1HE LYS 55 -0.606 -5.856 -13.395 453 HZ1 LYS 55 3HZ LYS 55 -2.700 -4.765 -13.091 454 HZ2 LYS 55 1HZ LYS 55 -2.179 -3.402 -13.957 455 HZ3 LYS 55 2HZ LYS 55 -1.479 -3.771 -12.454 456 H ASN 56 H ASN 56 -1.278 0.498 -16.135 457 HA ASN 56 HA ASN 56 -0.871 1.919 -13.551 458 HB2 ASN 56 2HB ASN 56 -1.440 3.209 -15.673 459 HB3 ASN 56 1HB ASN 56 -3.034 2.455 -15.598 460 HD21 ASN 56 1HD2 ASN 56 -1.075 3.484 -12.788 461 HD22 ASN 56 2HD2 ASN 56 -2.172 4.659 -12.244 462 H VAL 57 H VAL 57 -2.211 1.546 -11.830 463 HA VAL 57 HA VAL 57 -4.534 -0.283 -12.261 464 HB VAL 57 HB VAL 57 -2.595 -1.518 -11.318 465 HG11 VAL 57 1HG1 VAL 57 -1.387 -0.747 -9.544 466 HG12 VAL 57 2HG1 VAL 57 -2.817 -0.127 -8.718 467 HG13 VAL 57 3HG1 VAL 57 -2.061 0.815 -10.002 468 HG21 VAL 57 3HG2 VAL 57 -5.206 -1.594 -10.509 469 HG22 VAL 57 1HG2 VAL 57 -4.387 -1.323 -8.971 470 HG23 VAL 57 2HG2 VAL 57 -3.975 -2.728 -9.956 471 H LEU 58 H LEU 58 -6.318 0.098 -10.888 472 HA LEU 58 HA LEU 58 -6.477 2.803 -9.780 473 HB2 LEU 58 2HB LEU 58 -8.382 1.565 -10.944 474 HB3 LEU 58 1HB LEU 58 -8.505 0.567 -9.498 475 HG LEU 58 HG LEU 58 -8.639 3.595 -9.435 476 HD11 LEU 58 1HD1 LEU 58 -10.987 1.703 -9.274 477 HD12 LEU 58 2HD1 LEU 58 -10.482 2.447 -10.793 478 HD13 LEU 58 3HD1 LEU 58 -11.015 3.459 -9.449 479 HD21 LEU 58 3HD2 LEU 58 -8.860 1.397 -7.440 480 HD22 LEU 58 1HD2 LEU 58 -10.042 2.694 -7.294 481 HD23 LEU 58 2HD2 LEU 58 -8.323 3.062 -7.227 482 H TRP 59 H TRP 59 -6.052 3.304 -7.662 483 HA TRP 59 HA TRP 59 -5.418 1.065 -5.843 484 HB2 TRP 59 2HB TRP 59 -5.003 4.052 -5.684 485 HB3 TRP 59 1HB TRP 59 -4.681 2.980 -4.319 486 HD1 TRP 59 HD TRP 59 -3.085 4.351 -7.327 487 HE1 TRP 59 1HE TRP 59 -0.911 3.072 -7.879 488 HE3 TRP 59 3HE TRP 59 -3.635 0.317 -4.258 489 HZ2 TRP 59 2HZ TRP 59 0.413 0.651 -7.120 490 HZ3 TRP 59 3HZ TRP 59 -1.907 -1.450 -4.188 491 HH2 TRP 59 HH TRP 59 0.113 -1.290 -5.615 492 H ASP 60 H ASP 60 -7.156 0.225 -4.859 493 HA ASP 60 HA ASP 60 -8.962 2.073 -3.384 494 HB2 ASP 60 2HB ASP 60 -10.900 0.654 -4.001 495 HB3 ASP 60 1HB ASP 60 -10.159 1.384 -5.425 496 H GLU 61 H GLU 61 -10.347 0.562 -1.801 497 HA GLU 61 HA GLU 61 -8.483 -0.683 -0.041 498 HB2 GLU 61 2HB GLU 61 -11.494 -0.997 -0.214 499 HB3 GLU 61 1HB GLU 61 -10.502 -1.520 1.149 500 HG2 GLU 61 2HG GLU 61 -9.710 0.811 1.450 501 HG3 GLU 61 1HG GLU 61 -10.756 1.322 0.125 502 H ASN 62 H ASN 62 -10.721 -2.114 -2.425 503 HA ASN 62 HA ASN 62 -10.164 -4.842 -1.746 504 HB2 ASN 62 2HB ASN 62 -12.091 -4.144 -3.138 505 HB3 ASN 62 1HB ASN 62 -10.980 -3.682 -4.427 506 HD21 ASN 62 1HD2 ASN 62 -10.064 -5.356 -5.727 507 HD22 ASN 62 2HD2 ASN 62 -10.475 -6.994 -5.548 508 H ASN 63 H ASN 63 -8.842 -2.802 -4.359 509 HA ASN 63 HA ASN 63 -6.989 -4.721 -5.337 510 HB2 ASN 63 2HB ASN 63 -7.696 -2.561 -6.460 511 HB3 ASN 63 1HB ASN 63 -6.581 -1.725 -5.376 512 HD21 ASN 63 1HD2 ASN 63 -4.526 -1.456 -6.248 513 HD22 ASN 63 2HD2 ASN 63 -3.816 -2.472 -7.408 514 H MET 64 H MET 64 -6.694 -2.344 -2.724 515 HA MET 64 HA MET 64 -3.895 -2.492 -2.337 516 HB2 MET 64 2HB MET 64 -6.125 -2.154 -0.310 517 HB3 MET 64 1HB MET 64 -4.414 -1.924 0.059 518 HG2 MET 64 2HG MET 64 -5.253 -0.490 -2.352 519 HG3 MET 64 1HG MET 64 -6.122 0.031 -0.909 520 HE1 MET 64 3HE MET 64 -5.272 2.007 -1.795 521 HE2 MET 64 1HE MET 64 -3.586 2.351 -2.206 522 HE3 MET 64 2HE MET 64 -4.230 2.822 -0.633 523 H SER 65 H SER 65 -6.477 -4.618 -1.110 524 HA SER 65 HA SER 65 -4.770 -6.269 0.497 525 HB2 SER 65 2HB SER 65 -7.312 -7.060 -0.956 526 HB3 SER 65 1HB SER 65 -6.583 -7.913 0.399 527 HG SER 65 HG SER 65 -8.362 -6.287 0.776 528 H GLU 66 H GLU 66 -5.775 -6.485 -2.913 529 HA GLU 66 HA GLU 66 -4.409 -8.958 -3.451 530 HB2 GLU 66 2HB GLU 66 -6.183 -7.968 -4.917 531 HB3 GLU 66 1HB GLU 66 -5.035 -6.714 -5.395 532 HG2 GLU 66 2HG GLU 66 -3.483 -8.492 -6.199 533 HG3 GLU 66 1HG GLU 66 -4.708 -9.700 -5.812 534 H HIS 67 H HIS 67 -3.433 -5.559 -3.591 535 HA HIS 67 HA HIS 67 -0.953 -5.873 -4.926 536 HB2 HIS 67 2HB HIS 67 -2.032 -3.692 -4.345 537 HB3 HIS 67 1HB HIS 67 -1.581 -3.955 -2.663 538 HD1 HIS 67 1HD HIS 67 0.253 -4.077 -6.010 539 HD2 HIS 67 2HD HIS 67 0.807 -2.691 -2.128 540 HE1 HIS 67 1HE HIS 67 2.543 -2.987 -5.967 541 HE2 HIS 67 2HE HIS 67 2.888 -2.137 -3.601 542 H LEU 68 H LEU 68 -1.762 -6.143 -1.480 543 HA LEU 68 HA LEU 68 0.897 -6.643 -0.567 544 HB2 LEU 68 2HB LEU 68 -1.743 -7.578 0.597 545 HB3 LEU 68 1HB LEU 68 -0.202 -7.547 1.446 546 HG LEU 68 HG LEU 68 -1.613 -5.130 0.290 547 HD11 LEU 68 1HD1 LEU 68 -1.890 -4.498 2.677 548 HD12 LEU 68 2HD1 LEU 68 -1.206 -6.053 3.150 549 HD13 LEU 68 3HD1 LEU 68 -2.741 -5.992 2.285 550 HD21 LEU 68 3HD2 LEU 68 1.081 -5.616 1.464 551 HD22 LEU 68 1HD2 LEU 68 0.253 -4.141 1.953 552 HD23 LEU 68 2HD2 LEU 68 0.582 -4.440 0.248 553 H THR 69 H THR 69 -1.525 -8.712 -2.051 554 HA THR 69 HA THR 69 -0.087 -11.166 -1.329 555 HB THR 69 HB THR 69 -2.214 -10.871 -3.461 556 HG1 THR 69 1HG THR 69 -2.603 -10.046 -1.156 557 HG21 THR 69 3HG2 THR 69 -1.516 -13.160 -1.601 558 HG22 THR 69 1HG2 THR 69 -0.939 -13.020 -3.262 559 HG23 THR 69 2HG2 THR 69 -2.664 -13.199 -2.941 560 H ASN 70 H ASN 70 1.632 -11.941 -2.435 561 HA ASN 70 HA ASN 70 3.370 -11.910 -4.046 562 HB2 ASN 70 2HB ASN 70 1.065 -12.215 -5.972 563 HB3 ASN 70 1HB ASN 70 2.663 -12.959 -6.050 564 HD21 ASN 70 1HD2 ASN 70 0.441 -14.656 -6.174 565 HD22 ASN 70 2HD2 ASN 70 0.300 -15.528 -4.726 566 HA PRO 71 HA PRO 71 2.278 -7.494 -5.406 567 HB2 PRO 71 2HB PRO 71 4.543 -6.385 -4.253 568 HB3 PRO 71 1HB PRO 71 2.940 -6.431 -3.499 569 HG2 PRO 71 2HG PRO 71 5.299 -8.168 -3.038 570 HG3 PRO 71 1HG PRO 71 4.074 -7.590 -1.897 571 HD2 PRO 71 2HD PRO 71 4.082 -10.132 -2.866 572 HD3 PRO 71 1HD PRO 71 2.587 -9.280 -2.420 573 H ALA 72 H ALA 72 5.096 -9.556 -5.602 574 HA ALA 72 HA ALA 72 6.701 -7.968 -7.344 575 HB1 ALA 72 1HB ALA 72 7.142 -10.600 -8.132 576 HB2 ALA 72 2HB ALA 72 6.607 -10.749 -6.459 577 HB3 ALA 72 3HB ALA 72 8.003 -9.746 -6.850 578 H LYS 73 H LYS 73 4.465 -10.640 -8.216 579 HA LYS 73 HA LYS 73 4.617 -10.177 -11.031 580 HB2 LYS 73 2HB LYS 73 2.383 -11.385 -9.372 581 HB3 LYS 73 1HB LYS 73 2.488 -11.475 -11.130 582 HG2 LYS 73 2HG LYS 73 4.709 -12.593 -10.903 583 HG3 LYS 73 1HG LYS 73 4.495 -12.594 -9.152 584 HD2 LYS 73 2HD LYS 73 2.375 -13.884 -9.457 585 HD3 LYS 73 1HD LYS 73 2.720 -13.975 -11.184 586 HE2 LYS 73 2HE LYS 73 4.080 -15.732 -10.841 587 HE3 LYS 73 1HE LYS 73 5.065 -14.773 -9.738 588 HZ1 LYS 73 3HZ LYS 73 2.723 -15.410 -8.393 589 HZ2 LYS 73 1HZ LYS 73 4.285 -15.996 -8.087 590 HZ3 LYS 73 2HZ LYS 73 3.252 -16.844 -9.137 591 H TYR 74 H TYR 74 2.534 -8.830 -8.520 592 HA TYR 74 HA TYR 74 0.643 -7.512 -10.180 593 HB2 TYR 74 2HB TYR 74 0.372 -7.750 -7.756 594 HB3 TYR 74 1HB TYR 74 1.761 -6.704 -7.482 595 HD1 TYR 74 2HD TYR 74 -1.717 -6.816 -8.786 596 HD2 TYR 74 1HD TYR 74 1.590 -4.325 -7.641 597 HE1 TYR 74 2HE TYR 74 -3.193 -4.821 -8.843 598 HE2 TYR 74 1HE TYR 74 0.114 -2.341 -7.694 599 HH TYR 74 HH TYR 74 -2.002 -1.649 -7.788 600 H ILE 75 H ILE 75 3.664 -6.206 -8.750 601 HA ILE 75 HA ILE 75 3.839 -4.363 -11.071 602 HB ILE 75 HB ILE 75 3.692 -3.587 -8.160 603 HG12 ILE 75 2HG1 ILE 75 1.762 -3.496 -9.913 604 HG13 ILE 75 1HG1 ILE 75 2.028 -2.099 -8.876 605 HG21 ILE 75 1HG2 ILE 75 4.445 -1.257 -9.227 606 HG22 ILE 75 2HG2 ILE 75 5.343 -2.330 -10.300 607 HG23 ILE 75 3HG2 ILE 75 5.614 -2.387 -8.555 608 HD11 ILE 75 3HD1 ILE 75 3.514 -2.172 -11.464 609 HD12 ILE 75 1HD1 ILE 75 2.837 -0.799 -10.592 610 HD13 ILE 75 2HD1 ILE 75 1.781 -1.854 -11.530 611 HA PRO 76 HA PRO 76 7.903 -6.237 -9.984 612 HB2 PRO 76 2HB PRO 76 8.400 -7.412 -12.365 613 HB3 PRO 76 1HB PRO 76 7.349 -8.159 -11.147 614 HG2 PRO 76 2HG PRO 76 6.638 -6.763 -13.659 615 HG3 PRO 76 1HG PRO 76 5.829 -8.109 -12.843 616 HD2 PRO 76 2HD PRO 76 5.053 -5.395 -12.729 617 HD3 PRO 76 1HD PRO 76 4.466 -6.699 -11.673 618 H GLY 77 H GLY 77 10.017 -5.527 -10.626 619 HA2 GLY 77 2HA GLY 77 11.553 -4.388 -12.104 620 HA3 GLY 77 1HA GLY 77 10.176 -3.639 -12.906 621 H THR 78 H THR 78 9.477 -3.391 -9.707 622 HA THR 78 HA THR 78 10.567 -0.623 -9.624 623 HB THR 78 HB THR 78 8.821 -0.105 -8.100 624 HG1 THR 78 1HG THR 78 8.737 -1.670 -6.649 625 HG21 THR 78 3HG2 THR 78 6.877 -0.653 -9.336 626 HG22 THR 78 1HG2 THR 78 7.555 -2.196 -9.859 627 HG23 THR 78 2HG2 THR 78 8.187 -0.689 -10.516 628 H LYS 79 H LYS 79 11.245 0.148 -7.408 629 HA LYS 79 HA LYS 79 13.185 -1.744 -6.293 630 HB2 LYS 79 2HB LYS 79 12.474 1.088 -5.462 631 HB3 LYS 79 1HB LYS 79 13.876 0.174 -4.906 632 HG2 LYS 79 2HG LYS 79 14.644 -0.011 -7.276 633 HG3 LYS 79 1HG LYS 79 13.297 1.018 -7.761 634 HD2 LYS 79 2HD LYS 79 15.440 1.811 -5.766 635 HD3 LYS 79 1HD LYS 79 15.416 2.300 -7.460 636 HE2 LYS 79 2HE LYS 79 14.244 4.097 -6.702 637 HE3 LYS 79 1HE LYS 79 12.882 2.979 -6.669 638 HZ1 LYS 79 3HZ LYS 79 12.883 2.928 -4.451 639 HZ2 LYS 79 1HZ LYS 79 13.821 4.339 -4.539 640 HZ3 LYS 79 2HZ LYS 79 14.576 2.828 -4.346 641 H MET 80 H MET 80 9.961 -1.412 -5.846 642 HA MET 80 HA MET 80 9.897 -1.520 -2.916 643 HB2 MET 80 2HB MET 80 8.052 -0.465 -4.166 644 HB3 MET 80 1HB MET 80 7.709 -2.004 -4.959 645 HG2 MET 80 2HG MET 80 7.024 -3.022 -2.923 646 HG3 MET 80 1HG MET 80 7.722 -1.726 -1.951 647 HE1 MET 80 3HE MET 80 3.654 -2.043 -2.015 648 HE2 MET 80 1HE MET 80 5.085 -3.023 -1.670 649 HE3 MET 80 2HE MET 80 4.354 -3.060 -3.272 650 H ALA 81 H ALA 81 10.042 -3.352 -1.733 651 HA ALA 81 HA ALA 81 9.497 -5.962 -3.081 652 HB1 ALA 81 1HB ALA 81 11.394 -6.834 -1.545 653 HB2 ALA 81 2HB ALA 81 11.888 -5.145 -1.439 654 HB3 ALA 81 3HB ALA 81 11.853 -5.958 -3.004 655 H PHE 82 H PHE 82 7.440 -5.923 -2.015 656 HA PHE 82 HA PHE 82 7.516 -6.057 0.961 657 HB2 PHE 82 2HB PHE 82 5.920 -4.469 -0.118 658 HB3 PHE 82 1HB PHE 82 5.131 -5.836 -0.899 659 HD1 PHE 82 1HD PHE 82 5.870 -4.233 2.359 660 HD2 PHE 82 2HD PHE 82 3.675 -7.310 0.323 661 HE1 PHE 82 1HE PHE 82 4.489 -4.592 4.388 662 HE2 PHE 82 2HE PHE 82 2.296 -7.670 2.349 663 HZ PHE 82 HZ PHE 82 2.699 -6.310 4.380 664 H GLY 83 H GLY 83 7.186 -7.995 1.964 665 HA2 GLY 83 2HA GLY 83 7.071 -10.422 0.392 666 HA3 GLY 83 1HA GLY 83 6.983 -10.333 2.152 667 H GLY 84 H GLY 84 5.325 -11.860 0.138 668 HA2 GLY 84 2HA GLY 84 2.685 -10.651 0.190 669 HA3 GLY 84 1HA GLY 84 3.048 -12.308 -0.291 670 H LEU 85 H LEU 85 0.965 -11.145 1.613 671 HA LEU 85 HA LEU 85 1.817 -12.398 4.168 672 HB2 LEU 85 2HB LEU 85 -0.756 -10.930 3.512 673 HB3 LEU 85 1HB LEU 85 -0.185 -11.386 5.118 674 HG LEU 85 HG LEU 85 1.151 -9.436 3.223 675 HD11 LEU 85 1HD1 LEU 85 0.117 -7.795 4.386 676 HD12 LEU 85 2HD1 LEU 85 0.479 -8.566 5.932 677 HD13 LEU 85 3HD1 LEU 85 -0.944 -9.059 5.013 678 HD21 LEU 85 3HD2 LEU 85 2.027 -10.744 5.781 679 HD22 LEU 85 1HD2 LEU 85 2.549 -9.097 5.431 680 HD23 LEU 85 2HD2 LEU 85 2.966 -10.407 4.326 681 H LYS 86 H LYS 86 1.241 -14.458 4.609 682 HA LYS 86 HA LYS 86 -0.318 -16.040 2.797 683 HB2 LYS 86 2HB LYS 86 0.490 -16.550 5.675 684 HB3 LYS 86 1HB LYS 86 -0.227 -17.759 4.611 685 HG2 LYS 86 2HG LYS 86 1.649 -17.488 3.031 686 HG3 LYS 86 1HG LYS 86 2.367 -16.278 4.092 687 HD2 LYS 86 2HD LYS 86 3.442 -18.422 4.508 688 HD3 LYS 86 1HD LYS 86 2.463 -17.991 5.911 689 HE2 LYS 86 2HE LYS 86 1.026 -19.725 5.596 690 HE3 LYS 86 1HE LYS 86 1.016 -19.522 3.844 691 HZ1 LYS 86 3HZ LYS 86 3.123 -20.625 3.696 692 HZ2 LYS 86 1HZ LYS 86 2.057 -21.612 4.571 693 HZ3 LYS 86 2HZ LYS 86 3.250 -20.720 5.387 694 H LYS 87 H LYS 87 -1.140 -14.348 5.807 695 HA LYS 87 HA LYS 87 -3.889 -15.428 5.677 696 HB2 LYS 87 2HB LYS 87 -2.535 -13.603 7.680 697 HB3 LYS 87 1HB LYS 87 -4.202 -14.167 7.810 698 HG2 LYS 87 2HG LYS 87 -3.348 -16.525 7.732 699 HG3 LYS 87 1HG LYS 87 -1.706 -15.884 7.787 700 HD2 LYS 87 2HD LYS 87 -2.284 -14.712 9.918 701 HD3 LYS 87 1HD LYS 87 -3.863 -15.498 9.880 702 HE2 LYS 87 2HE LYS 87 -1.776 -17.457 9.478 703 HE3 LYS 87 1HE LYS 87 -1.470 -16.542 10.956 704 HZ1 LYS 87 3HZ LYS 87 -4.206 -17.440 10.455 705 HZ2 LYS 87 1HZ LYS 87 -3.370 -17.279 11.922 706 HZ3 LYS 87 2HZ LYS 87 -3.068 -18.615 10.916 707 H GLU 88 H GLU 88 -5.553 -14.316 4.829 708 HA GLU 88 HA GLU 88 -5.110 -11.749 3.541 709 HB2 GLU 88 2HB GLU 88 -6.655 -13.505 2.644 710 HB3 GLU 88 1HB GLU 88 -7.724 -13.212 4.018 711 HG2 GLU 88 2HG GLU 88 -7.888 -10.819 3.334 712 HG3 GLU 88 1HG GLU 88 -6.913 -11.186 1.912 713 H LYS 89 H LYS 89 -6.654 -12.857 6.519 714 HA LYS 89 HA LYS 89 -8.077 -10.508 7.196 715 HB2 LYS 89 2HB LYS 89 -6.639 -12.472 9.005 716 HB3 LYS 89 1HB LYS 89 -7.798 -11.263 9.561 717 HG2 LYS 89 2HG LYS 89 -9.506 -12.261 8.038 718 HG3 LYS 89 1HG LYS 89 -8.348 -13.525 7.619 719 HD2 LYS 89 2HD LYS 89 -8.201 -14.134 10.039 720 HD3 LYS 89 1HD LYS 89 -9.463 -12.947 10.378 721 HE2 LYS 89 2HE LYS 89 -11.032 -14.467 9.847 722 HE3 LYS 89 1HE LYS 89 -10.368 -14.572 8.216 723 HZ1 LYS 89 3HZ LYS 89 -10.010 -16.692 8.860 724 HZ2 LYS 89 1HZ LYS 89 -9.945 -16.313 10.511 725 HZ3 LYS 89 2HZ LYS 89 -8.594 -16.027 9.521 726 H ASP 90 H ASP 90 -4.650 -11.322 7.689 727 HA ASP 90 HA ASP 90 -3.961 -9.059 9.265 728 HB2 ASP 90 2HB ASP 90 -2.334 -10.628 7.242 729 HB3 ASP 90 1HB ASP 90 -1.655 -9.436 8.345 730 H ARG 91 H ARG 91 -4.237 -9.507 5.763 731 HA ARG 91 HA ARG 91 -3.142 -6.996 4.960 732 HB2 ARG 91 2HB ARG 91 -5.320 -8.672 3.675 733 HB3 ARG 91 1HB ARG 91 -4.474 -7.345 2.883 734 HG2 ARG 91 2HG ARG 91 -2.329 -8.522 3.188 735 HG3 ARG 91 1HG ARG 91 -3.172 -9.853 3.985 736 HD2 ARG 91 2HD ARG 91 -4.556 -10.115 1.893 737 HD3 ARG 91 1HD ARG 91 -3.492 -8.946 1.112 738 HE ARG 91 HE ARG 91 -1.668 -10.727 1.981 739 HH11 ARG 91 1HH2 ARG 91 -4.770 -11.158 0.524 740 HH12 ARG 91 2HH2 ARG 91 -4.363 -12.677 -0.197 741 HH21 ARG 91 1HH1 ARG 91 -1.127 -12.706 1.043 742 HH22 ARG 91 2HH1 ARG 91 -2.305 -13.552 0.094 743 H ASN 92 H ASN 92 -6.436 -7.923 5.923 744 HA ASN 92 HA ASN 92 -7.733 -5.496 5.243 745 HB2 ASN 92 2HB ASN 92 -8.307 -7.429 7.507 746 HB3 ASN 92 1HB ASN 92 -9.411 -6.174 6.947 747 HD21 ASN 92 1HD2 ASN 92 -9.207 -6.342 4.180 748 HD22 ASN 92 2HD2 ASN 92 -9.685 -7.883 3.650 749 H ASP 93 H ASP 93 -5.991 -6.419 8.218 750 HA ASP 93 HA ASP 93 -6.651 -4.066 9.688 751 HB2 ASP 93 2HB ASP 93 -4.247 -5.903 9.847 752 HB3 ASP 93 1HB ASP 93 -4.646 -4.671 11.037 753 H LEU 94 H LEU 94 -3.937 -4.833 7.505 754 HA LEU 94 HA LEU 94 -2.480 -2.423 7.938 755 HB2 LEU 94 2HB LEU 94 -1.561 -4.393 6.737 756 HB3 LEU 94 1HB LEU 94 -2.659 -4.066 5.396 757 HG LEU 94 HG LEU 94 -1.633 -1.842 5.090 758 HD11 LEU 94 1HD1 LEU 94 0.687 -1.706 6.394 759 HD12 LEU 94 2HD1 LEU 94 -0.186 -2.693 7.565 760 HD13 LEU 94 3HD1 LEU 94 -0.805 -1.104 7.115 761 HD21 LEU 94 3HD2 LEU 94 0.838 -3.381 5.111 762 HD22 LEU 94 1HD2 LEU 94 -0.095 -2.786 3.739 763 HD23 LEU 94 2HD2 LEU 94 -0.508 -4.332 4.481 764 H ILE 95 H ILE 95 -5.041 -3.201 5.585 765 HA ILE 95 HA ILE 95 -4.980 -0.652 4.272 766 HB ILE 95 HB ILE 95 -7.286 -2.581 4.607 767 HG12 ILE 95 2HG1 ILE 95 -5.325 -2.263 2.316 768 HG13 ILE 95 1HG1 ILE 95 -5.192 -3.510 3.557 769 HG21 ILE 95 1HG2 ILE 95 -7.797 -1.390 2.286 770 HG22 ILE 95 2HG2 ILE 95 -6.864 -0.084 3.013 771 HG23 ILE 95 3HG2 ILE 95 -8.326 -0.670 3.805 772 HD11 ILE 95 3HD1 ILE 95 -7.755 -3.185 2.016 773 HD12 ILE 95 1HD1 ILE 95 -7.130 -4.615 2.839 774 HD13 ILE 95 2HD1 ILE 95 -6.410 -4.087 1.316 775 H THR 96 H THR 96 -6.646 -1.861 7.127 776 HA THR 96 HA THR 96 -8.457 0.249 7.576 777 HB THR 96 HB THR 96 -6.912 -1.204 9.735 778 HG1 THR 96 1HG THR 96 -9.375 -2.126 8.888 779 HG21 THR 96 3HG2 THR 96 -8.727 0.804 9.970 780 HG22 THR 96 1HG2 THR 96 -8.523 -0.471 11.172 781 HG23 THR 96 2HG2 THR 96 -9.799 -0.596 9.961 782 H TYR 97 H TYR 97 -5.015 -0.022 8.478 783 HA TYR 97 HA TYR 97 -4.903 2.407 9.983 784 HB2 TYR 97 2HB TYR 97 -3.148 0.649 10.041 785 HB3 TYR 97 1HB TYR 97 -2.682 1.086 8.398 786 HD1 TYR 97 1HD TYR 97 -2.932 2.343 11.888 787 HD2 TYR 97 2HD TYR 97 -1.341 3.011 7.955 788 HE1 TYR 97 1HE TYR 97 -1.497 4.161 12.776 789 HE2 TYR 97 2HE TYR 97 0.093 4.829 8.843 790 HH TYR 97 HH TYR 97 -0.355 6.187 11.916 791 H LEU 98 H LEU 98 -3.893 1.818 6.572 792 HA LEU 98 HA LEU 98 -3.482 4.626 6.053 793 HB2 LEU 98 2HB LEU 98 -3.965 2.298 4.169 794 HB3 LEU 98 1HB LEU 98 -3.504 3.919 3.646 795 HG LEU 98 HG LEU 98 -1.891 2.185 5.541 796 HD11 LEU 98 1HD1 LEU 98 -0.364 2.624 3.302 797 HD12 LEU 98 2HD1 LEU 98 -1.976 2.458 2.603 798 HD13 LEU 98 3HD1 LEU 98 -1.305 1.161 3.594 799 HD21 LEU 98 3HD2 LEU 98 -1.694 4.993 4.542 800 HD22 LEU 98 1HD2 LEU 98 -0.191 4.079 4.683 801 HD23 LEU 98 2HD2 LEU 98 -1.214 4.323 6.100 802 H LYS 99 H LYS 99 -6.201 2.420 5.661 803 HA LYS 99 HA LYS 99 -7.929 4.109 4.183 804 HB2 LYS 99 2HB LYS 99 -8.406 1.724 4.675 805 HB3 LYS 99 1HB LYS 99 -8.649 2.136 6.369 806 HG2 LYS 99 2HG LYS 99 -10.486 3.673 5.700 807 HG3 LYS 99 1HG LYS 99 -10.281 3.145 4.031 808 HD2 LYS 99 2HD LYS 99 -10.770 0.823 4.702 809 HD3 LYS 99 1HD LYS 99 -10.979 1.350 6.372 810 HE2 LYS 99 2HE LYS 99 -13.051 2.185 5.974 811 HE3 LYS 99 1HE LYS 99 -12.570 2.887 4.429 812 HZ1 LYS 99 3HZ LYS 99 -13.996 0.527 4.886 813 HZ2 LYS 99 1HZ LYS 99 -12.505 0.096 4.200 814 HZ3 LYS 99 2HZ LYS 99 -13.522 1.196 3.398 815 H LYS 100 H LYS 100 -7.286 3.903 7.667 816 HA LYS 100 HA LYS 100 -9.280 5.722 8.557 817 HB2 LYS 100 2HB LYS 100 -7.888 4.289 10.049 818 HB3 LYS 100 1HB LYS 100 -6.498 5.315 9.691 819 HG2 LYS 100 2HG LYS 100 -7.778 7.277 10.562 820 HG3 LYS 100 1HG LYS 100 -9.076 6.177 11.029 821 HD2 LYS 100 2HD LYS 100 -7.385 4.888 12.382 822 HD3 LYS 100 1HD LYS 100 -6.226 6.173 12.047 823 HE2 LYS 100 2HE LYS 100 -7.068 7.020 14.007 824 HE3 LYS 100 1HE LYS 100 -8.288 7.675 12.915 825 HZ1 LYS 100 3HZ LYS 100 -8.990 5.043 13.568 826 HZ2 LYS 100 1HZ LYS 100 -9.816 6.476 13.945 827 HZ3 LYS 100 2HZ LYS 100 -8.643 5.866 15.012 828 H ALA 101 H ALA 101 -5.990 6.254 7.363 829 HA ALA 101 HA ALA 101 -5.794 9.030 7.903 830 HB1 ALA 101 1HB ALA 101 -4.114 9.083 6.105 831 HB2 ALA 101 2HB ALA 101 -4.668 7.510 5.531 832 HB3 ALA 101 3HB ALA 101 -3.896 7.650 7.110 833 H THR 102 H THR 102 -7.445 7.301 5.308 834 HA THR 102 HA THR 102 -7.916 9.589 3.630 835 HB THR 102 HB THR 102 -9.596 8.220 2.538 836 HG1 THR 102 1HG THR 102 -10.190 7.432 4.859 837 HG21 THR 102 3HG2 THR 102 -7.229 6.621 3.539 838 HG22 THR 102 1HG2 THR 102 -7.326 7.560 2.049 839 HG23 THR 102 2HG2 THR 102 -8.288 6.094 2.230 840 H GLU 103 H GLU 103 -9.414 8.425 6.559 841 HA GLU 103 HA GLU 103 -11.913 9.826 6.300 842 HB2 GLU 103 2HB GLU 103 -11.469 7.994 7.952 843 HB3 GLU 103 1HB GLU 103 -10.437 9.108 8.850 844 HG2 GLU 103 2HG GLU 103 -12.372 10.665 9.074 845 HG3 GLU 103 1HG GLU 103 -13.392 9.470 8.272 846 HHA HEC 201 HA HEC 104 4.834 3.160 -5.661 847 HHB HEC 201 HB HEC 104 1.060 0.520 -1.335 848 HHC HEC 201 HC HEC 104 6.123 -0.966 2.158 849 HHD HEC 201 HD HEC 104 9.898 1.524 -2.262 850 HMA1 HEC 201 1HMA HEC 104 -0.038 2.918 -4.048 851 HMA2 HEC 201 2HMA HEC 104 -0.005 2.247 -2.418 852 HMA3 HEC 201 3HMA HEC 104 -0.266 1.186 -3.803 853 HAA1 HEC 201 1HAA HEC 104 2.582 1.916 -6.600 854 HAA2 HEC 201 2HAA HEC 104 1.056 2.565 -6.024 855 HBA1 HEC 201 1HBA HEC 104 3.256 3.965 -7.206 856 HBA2 HEC 201 2HBA HEC 104 3.031 4.553 -5.559 857 HMB1 HEC 201 1HMB HEC 104 0.393 -0.626 1.300 858 HMB2 HEC 201 2HMB HEC 104 0.751 -1.426 -0.226 859 HMB3 HEC 201 3HMB HEC 104 1.210 -2.187 1.285 860 HAB HEC 201 HAB HEC 104 4.341 -1.623 3.288 861 HBB1 HEC 201 1HBB HEC 104 2.277 -1.662 4.657 862 HBB2 HEC 201 2HBB HEC 104 2.152 -2.669 3.220 863 HBB3 HEC 201 3HBB HEC 104 1.365 -1.089 3.271 864 HMC1 HEC 201 1HMC HEC 104 8.567 -2.310 1.623 865 HMC2 HEC 201 2HMC HEC 104 8.382 -1.118 2.909 866 HMC3 HEC 201 3HMC HEC 104 9.928 -1.282 2.075 867 HAC HEC 201 HAC HEC 104 10.941 1.498 -0.318 868 HBC1 HEC 201 1HBC HEC 104 12.196 -0.649 1.012 869 HBC2 HEC 201 2HBC HEC 104 11.061 -1.382 -0.122 870 HBC3 HEC 201 3HBC HEC 104 12.292 -0.262 -0.706 871 HMD1 HEC 201 1HMD HEC 104 10.613 2.687 -4.100 872 HMD2 HEC 201 2HMD HEC 104 10.009 3.103 -5.704 873 HMD3 HEC 201 3HMD HEC 104 10.065 1.416 -5.194 874 HAD1 HEC 201 1HAD HEC 104 8.313 4.600 -6.021 875 HAD2 HEC 201 2HAD HEC 104 6.559 4.599 -6.018 876 HBD1 HEC 201 1HBD HEC 104 8.437 3.014 -7.739 877 HBD2 HEC 201 2HBD HEC 104 6.794 2.439 -7.457 Start of MODEL 8 1 H1 THR -5 1HT THR -5 -18.428 -3.956 3.665 2 H2 THR -5 2HT THR -5 -20.043 -3.665 3.224 3 H3 THR -5 3HT THR -5 -18.876 -3.974 2.029 4 HA THR -5 HA THR -5 -19.620 -5.934 4.125 5 HB THR -5 HB THR -5 -20.512 -5.982 1.238 6 HG1 THR -5 1HG THR -5 -21.288 -4.166 2.710 7 HG21 THR -5 1HG2 THR -5 -21.604 -7.890 1.813 8 HG22 THR -5 2HG2 THR -5 -22.076 -7.257 3.389 9 HG23 THR -5 3HG2 THR -5 -20.463 -7.930 3.158 10 H GLU -4 H GLU -4 -18.393 -5.494 0.783 11 HA GLU -4 HA GLU -4 -16.995 -7.978 0.687 12 HB2 GLU -4 2HB GLU -4 -16.451 -5.369 -0.763 13 HB3 GLU -4 1HB GLU -4 -15.702 -6.913 -1.171 14 HG2 GLU -4 2HG GLU -4 -18.689 -6.384 -1.156 15 HG3 GLU -4 1HG GLU -4 -17.678 -6.435 -2.600 16 H PHE -3 H PHE -3 -16.093 -4.811 1.943 17 HA PHE -3 HA PHE -3 -13.378 -5.847 2.592 18 HB2 PHE -3 2HB PHE -3 -13.539 -3.626 1.493 19 HB3 PHE -3 1HB PHE -3 -14.505 -3.042 2.847 20 HD1 PHE -3 1HD PHE -3 -11.163 -4.364 1.887 21 HD2 PHE -3 2HD PHE -3 -13.497 -2.406 4.915 22 HE1 PHE -3 1HE PHE -3 -9.092 -3.846 3.148 23 HE2 PHE -3 2HE PHE -3 -11.426 -1.888 6.177 24 HZ PHE -3 HZ PHE -3 -9.224 -2.610 5.294 25 H LYS -2 H LYS -2 -12.929 -6.484 4.645 26 HA LYS -2 HA LYS -2 -15.011 -6.126 6.713 27 HB2 LYS -2 2HB LYS -2 -13.875 -8.346 6.324 28 HB3 LYS -2 1HB LYS -2 -12.381 -7.617 6.914 29 HG2 LYS -2 2HG LYS -2 -13.436 -7.113 9.064 30 HG3 LYS -2 1HG LYS -2 -14.973 -7.754 8.481 31 HD2 LYS -2 2HD LYS -2 -13.901 -9.477 9.803 32 HD3 LYS -2 1HD LYS -2 -13.830 -9.964 8.108 33 HE2 LYS -2 2HE LYS -2 -11.543 -9.489 7.933 34 HE3 LYS -2 1HE LYS -2 -11.565 -8.397 9.317 35 HZ1 LYS -2 3HZ LYS -2 -10.626 -10.250 10.233 36 HZ2 LYS -2 1HZ LYS -2 -11.503 -11.329 9.261 37 HZ3 LYS -2 2HZ LYS -2 -12.263 -10.555 10.569 38 H ALA -1 H ALA -1 -14.803 -4.703 8.401 39 HA ALA -1 HA ALA -1 -12.894 -2.611 8.353 40 HB1 ALA -1 1HB ALA -1 -13.988 -1.815 10.200 41 HB2 ALA -1 2HB ALA -1 -13.974 -3.382 11.010 42 HB3 ALA -1 3HB ALA -1 -15.170 -3.048 9.757 43 H GLY 1 H GLY 1 -10.785 -2.564 8.968 44 HA2 GLY 1 2HA GLY 1 -9.202 -4.731 9.591 45 HA3 GLY 1 1HA GLY 1 -8.829 -3.112 10.175 46 H SER 2 H SER 2 -8.770 -5.971 11.398 47 HA SER 2 HA SER 2 -10.649 -6.105 13.520 48 HB2 SER 2 2HB SER 2 -7.763 -7.034 13.577 49 HB3 SER 2 1HB SER 2 -9.068 -7.613 14.608 50 HG SER 2 HG SER 2 -8.418 -8.748 12.485 51 H ALA 3 H ALA 3 -7.565 -4.376 13.256 52 HA ALA 3 HA ALA 3 -8.315 -2.406 15.182 53 HB1 ALA 3 1HB ALA 3 -7.709 -4.707 16.485 54 HB2 ALA 3 2HB ALA 3 -7.414 -3.107 17.166 55 HB3 ALA 3 3HB ALA 3 -6.105 -3.985 16.375 56 H LYS 4 H LYS 4 -5.509 -2.184 16.214 57 HA LYS 4 HA LYS 4 -4.420 -0.808 13.848 58 HB2 LYS 4 2HB LYS 4 -3.441 -0.967 16.716 59 HB3 LYS 4 1HB LYS 4 -2.715 0.033 15.458 60 HG2 LYS 4 2HG LYS 4 -4.914 1.176 15.151 61 HG3 LYS 4 1HG LYS 4 -5.552 0.242 16.506 62 HD2 LYS 4 2HD LYS 4 -3.747 1.189 17.953 63 HD3 LYS 4 1HD LYS 4 -3.238 2.200 16.600 64 HE2 LYS 4 2HE LYS 4 -5.666 3.042 16.531 65 HE3 LYS 4 1HE LYS 4 -5.850 2.290 18.115 66 HZ1 LYS 4 3HZ LYS 4 -4.989 4.140 18.950 67 HZ2 LYS 4 1HZ LYS 4 -4.553 4.726 17.418 68 HZ3 LYS 4 2HZ LYS 4 -3.500 3.693 18.263 69 H LYS 5 H LYS 5 -4.348 -3.930 14.702 70 HA LYS 5 HA LYS 5 -1.634 -4.691 14.868 71 HB2 LYS 5 2HB LYS 5 -3.920 -6.092 13.444 72 HB3 LYS 5 1HB LYS 5 -2.370 -6.841 13.830 73 HG2 LYS 5 2HG LYS 5 -2.773 -6.336 16.242 74 HG3 LYS 5 1HG LYS 5 -4.368 -5.716 15.814 75 HD2 LYS 5 2HD LYS 5 -4.913 -7.939 14.806 76 HD3 LYS 5 1HD LYS 5 -3.360 -8.543 15.385 77 HE2 LYS 5 2HE LYS 5 -4.167 -7.651 17.709 78 HE3 LYS 5 1HE LYS 5 -5.771 -7.708 16.977 79 HZ1 LYS 5 3HZ LYS 5 -5.797 -9.924 17.033 80 HZ2 LYS 5 1HZ LYS 5 -4.524 -9.795 18.147 81 HZ3 LYS 5 2HZ LYS 5 -4.188 -10.065 16.504 82 H GLY 6 H GLY 6 -3.631 -4.045 11.983 83 HA2 GLY 6 2HA GLY 6 -1.613 -4.645 10.052 84 HA3 GLY 6 1HA GLY 6 -2.988 -3.575 9.778 85 H ALA 7 H ALA 7 -2.223 -1.836 12.064 86 HA ALA 7 HA ALA 7 -0.685 0.094 10.664 87 HB1 ALA 7 1HB ALA 7 -0.649 -0.033 13.664 88 HB2 ALA 7 2HB ALA 7 -2.164 0.302 12.826 89 HB3 ALA 7 3HB ALA 7 -0.783 1.378 12.612 90 H THR 8 H THR 8 0.310 -2.325 13.082 91 HA THR 8 HA THR 8 3.069 -1.501 13.128 92 HB THR 8 HB THR 8 3.470 -3.627 14.250 93 HG1 THR 8 1HG THR 8 1.310 -4.899 14.367 94 HG21 THR 8 3HG2 THR 8 1.009 -3.439 15.589 95 HG22 THR 8 1HG2 THR 8 1.332 -1.817 14.974 96 HG23 THR 8 2HG2 THR 8 2.511 -2.618 16.015 97 H LEU 9 H LEU 9 1.205 -3.794 11.171 98 HA LEU 9 HA LEU 9 3.379 -5.033 9.805 99 HB2 LEU 9 2HB LEU 9 0.760 -5.460 9.726 100 HB3 LEU 9 1HB LEU 9 0.827 -4.334 8.376 101 HG LEU 9 HG LEU 9 1.040 -6.571 7.488 102 HD11 LEU 9 1HD1 LEU 9 3.005 -6.320 6.218 103 HD12 LEU 9 2HD1 LEU 9 3.872 -5.547 7.544 104 HD13 LEU 9 3HD1 LEU 9 2.604 -4.669 6.687 105 HD21 LEU 9 3HD2 LEU 9 2.053 -8.226 8.628 106 HD22 LEU 9 1HD2 LEU 9 2.355 -7.073 9.927 107 HD23 LEU 9 2HD2 LEU 9 3.571 -7.329 8.675 108 H PHE 10 H PHE 10 1.597 -2.037 9.281 109 HA PHE 10 HA PHE 10 2.911 -1.239 6.850 110 HB2 PHE 10 2HB PHE 10 0.768 -0.268 7.767 111 HB3 PHE 10 1HB PHE 10 1.722 0.525 9.015 112 HD1 PHE 10 2HD PHE 10 1.163 0.300 5.348 113 HD2 PHE 10 1HD PHE 10 2.972 2.500 8.562 114 HE1 PHE 10 2HE PHE 10 1.662 2.166 3.792 115 HE2 PHE 10 1HE PHE 10 3.460 4.365 7.006 116 HZ PHE 10 HZ PHE 10 2.816 4.196 4.624 117 H LYS 11 H LYS 11 3.433 -0.412 10.269 118 HA LYS 11 HA LYS 11 5.715 1.254 9.891 119 HB2 LYS 11 2HB LYS 11 4.306 1.012 11.999 120 HB3 LYS 11 1HB LYS 11 5.165 -0.498 12.296 121 HG2 LYS 11 2HG LYS 11 7.320 0.725 12.241 122 HG3 LYS 11 1HG LYS 11 6.440 2.237 12.012 123 HD2 LYS 11 2HD LYS 11 5.224 1.787 14.159 124 HD3 LYS 11 1HD LYS 11 6.266 0.386 14.405 125 HE2 LYS 11 2HE LYS 11 8.125 2.305 13.877 126 HE3 LYS 11 1HE LYS 11 6.883 3.267 14.678 127 HZ1 LYS 11 3HZ LYS 11 8.020 2.514 16.479 128 HZ2 LYS 11 1HZ LYS 11 8.504 1.073 15.729 129 HZ3 LYS 11 2HZ LYS 11 6.917 1.232 16.315 130 H THR 12 H THR 12 5.403 -2.237 10.398 131 HA THR 12 HA THR 12 8.208 -2.747 10.708 132 HB THR 12 HB THR 12 7.620 -5.090 10.366 133 HG1 THR 12 1HG THR 12 5.105 -4.063 9.556 134 HG21 THR 12 3HG2 THR 12 6.892 -4.873 12.487 135 HG22 THR 12 1HG2 THR 12 5.264 -4.756 11.817 136 HG23 THR 12 2HG2 THR 12 6.187 -3.292 12.153 137 H ARG 13 H ARG 13 6.148 -2.536 7.817 138 HA ARG 13 HA ARG 13 8.620 -2.531 6.203 139 HB2 ARG 13 2HB ARG 13 6.402 -4.555 5.820 140 HB3 ARG 13 1HB ARG 13 7.665 -4.246 4.631 141 HG2 ARG 13 2HG ARG 13 9.367 -4.782 6.408 142 HG3 ARG 13 1HG ARG 13 8.037 -5.266 7.460 143 HD2 ARG 13 2HD ARG 13 7.310 -6.886 5.677 144 HD3 ARG 13 1HD ARG 13 8.785 -6.494 4.794 145 HE ARG 13 HE ARG 13 9.951 -7.876 6.298 146 HH11 ARG 13 1HH2 ARG 13 6.959 -6.785 7.620 147 HH12 ARG 13 2HH2 ARG 13 7.103 -7.727 9.067 148 HH21 ARG 13 1HH1 ARG 13 10.155 -9.112 8.180 149 HH22 ARG 13 2HH1 ARG 13 8.913 -9.044 9.384 150 H CYS 14 H CYS 14 7.284 -0.247 6.406 151 HA CYS 14 HA CYS 14 6.368 0.247 3.733 152 HB2 CYS 14 2HB CYS 14 4.389 -0.968 4.984 153 HB3 CYS 14 1HB CYS 14 4.129 0.633 5.674 154 H LEU 15 H LEU 15 5.745 1.476 7.041 155 HA LEU 15 HA LEU 15 5.630 4.211 6.381 156 HB2 LEU 15 2HB LEU 15 5.125 3.281 8.637 157 HB3 LEU 15 1HB LEU 15 6.847 3.005 8.884 158 HG LEU 15 HG LEU 15 7.115 5.539 8.372 159 HD11 LEU 15 1HD1 LEU 15 5.060 6.828 9.094 160 HD12 LEU 15 2HD1 LEU 15 4.149 5.327 8.944 161 HD13 LEU 15 3HD1 LEU 15 4.918 6.040 7.524 162 HD21 LEU 15 3HD2 LEU 15 6.281 6.038 10.794 163 HD22 LEU 15 1HD2 LEU 15 7.582 4.869 10.570 164 HD23 LEU 15 2HD2 LEU 15 5.932 4.310 10.849 165 H GLN 16 H GLN 16 8.471 2.173 6.974 166 HA GLN 16 HA GLN 16 10.444 4.192 7.019 167 HB2 GLN 16 2HB GLN 16 10.773 1.712 7.435 168 HB3 GLN 16 1HB GLN 16 10.752 1.492 5.684 169 HG2 GLN 16 2HG GLN 16 12.635 3.108 5.489 170 HG3 GLN 16 1HG GLN 16 12.689 3.222 7.249 171 HE21 GLN 16 1HE2 GLN 16 13.548 1.410 8.440 172 HE22 GLN 16 2HE2 GLN 16 14.324 0.109 7.674 173 H CYS 17 H CYS 17 8.793 2.681 4.270 174 HA CYS 17 HA CYS 17 10.427 4.299 2.395 175 HB2 CYS 17 2HB CYS 17 8.359 2.139 1.940 176 HB3 CYS 17 1HB CYS 17 9.193 2.998 0.646 177 H HIS 18 H HIS 18 6.998 3.837 3.296 178 HA HIS 18 HA HIS 18 6.343 6.258 1.681 179 HB2 HIS 18 2HB HIS 18 4.657 3.992 2.765 180 HB3 HIS 18 1HB HIS 18 3.951 5.457 2.076 181 HD1 HIS 18 1HD HIS 18 4.694 5.976 -0.495 182 HD2 HIS 18 2HD HIS 18 5.451 2.128 0.907 183 HE1 HIS 18 1HE HIS 18 5.081 4.527 -2.547 184 H THR 19 H THR 19 5.837 8.129 2.694 185 HA THR 19 HA THR 19 5.709 8.152 5.646 186 HB THR 19 HB THR 19 5.907 10.569 5.438 187 HG1 THR 19 1HG THR 19 4.530 10.694 3.570 188 HG21 THR 19 3HG2 THR 19 7.785 10.005 3.294 189 HG22 THR 19 1HG2 THR 19 7.792 8.721 4.501 190 HG23 THR 19 2HG2 THR 19 8.105 10.388 4.985 191 H VAL 20 H VAL 20 3.589 8.267 2.927 192 HA VAL 20 HA VAL 20 1.258 8.470 2.788 193 HB VAL 20 HB VAL 20 1.216 8.259 5.802 194 HG11 VAL 20 1HG1 VAL 20 -0.699 6.725 4.229 195 HG12 VAL 20 2HG1 VAL 20 -0.774 8.445 3.852 196 HG13 VAL 20 3HG1 VAL 20 -0.992 7.897 5.514 197 HG21 VAL 20 3HG2 VAL 20 1.220 5.799 5.477 198 HG22 VAL 20 1HG2 VAL 20 2.735 6.525 4.940 199 HG23 VAL 20 2HG2 VAL 20 1.521 6.038 3.755 200 H GLU 21 H GLU 21 3.091 10.847 3.522 201 HA GLU 21 HA GLU 21 1.013 12.610 4.742 202 HB2 GLU 21 2HB GLU 21 3.298 12.590 5.771 203 HB3 GLU 21 1HB GLU 21 3.947 13.195 4.247 204 HG2 GLU 21 2HG GLU 21 2.424 15.162 4.420 205 HG3 GLU 21 1HG GLU 21 1.891 14.578 5.996 206 H LYS 22 H LYS 22 0.137 14.287 3.540 207 HA LYS 22 HA LYS 22 0.225 14.176 0.698 208 HB2 LYS 22 2HB LYS 22 -1.031 16.247 0.736 209 HB3 LYS 22 1HB LYS 22 -1.588 15.253 2.081 210 HG2 LYS 22 2HG LYS 22 -0.004 16.495 3.580 211 HG3 LYS 22 1HG LYS 22 0.372 17.562 2.226 212 HD2 LYS 22 2HD LYS 22 -2.130 18.018 2.055 213 HD3 LYS 22 1HD LYS 22 -2.292 17.204 3.611 214 HE2 LYS 22 2HE LYS 22 -0.959 19.809 2.965 215 HE3 LYS 22 1HE LYS 22 -2.023 19.401 4.312 216 HZ1 LYS 22 3HZ LYS 22 0.761 18.428 3.960 217 HZ2 LYS 22 1HZ LYS 22 -0.261 18.063 5.264 218 HZ3 LYS 22 2HZ LYS 22 0.274 19.657 5.026 219 H GLY 23 H GLY 23 2.019 16.169 3.015 220 HA2 GLY 23 2HA GLY 23 3.628 17.257 0.743 221 HA3 GLY 23 1HA GLY 23 3.501 18.014 2.334 222 H GLY 24 H GLY 24 3.883 14.555 1.982 223 HA2 GLY 24 2HA GLY 24 6.093 14.441 3.762 224 HA3 GLY 24 1HA GLY 24 5.605 13.131 2.688 225 HA PRO 25 HA PRO 25 9.537 15.438 1.160 226 HB2 PRO 25 2HB PRO 25 11.500 13.929 2.293 227 HB3 PRO 25 1HB PRO 25 10.823 15.368 3.082 228 HG2 PRO 25 2HG PRO 25 10.226 12.487 3.558 229 HG3 PRO 25 1HG PRO 25 10.425 13.803 4.723 230 HD2 PRO 25 2HD PRO 25 7.974 12.878 3.956 231 HD3 PRO 25 1HD PRO 25 8.257 14.561 4.453 232 H HIS 26 H HIS 26 8.141 12.383 1.125 233 HA HIS 26 HA HIS 26 8.300 10.573 -0.340 234 HB2 HIS 26 2HB HIS 26 9.883 12.519 -2.050 235 HB3 HIS 26 1HB HIS 26 9.145 11.016 -2.595 236 HD1 HIS 26 1HD HIS 26 6.608 10.978 -2.952 237 HD2 HIS 26 2HD HIS 26 8.001 14.631 -1.506 238 HE1 HIS 26 1HE HIS 26 4.686 12.607 -3.162 239 HE2 HIS 26 2HE HIS 26 5.520 14.838 -2.284 240 H LYS 27 H LYS 27 9.811 9.941 1.559 241 HA LYS 27 HA LYS 27 12.635 10.043 1.319 242 HB2 LYS 27 2HB LYS 27 11.236 9.267 3.320 243 HB3 LYS 27 1HB LYS 27 11.121 7.709 2.505 244 HG2 LYS 27 2HG LYS 27 13.609 7.597 2.422 245 HG3 LYS 27 1HG LYS 27 13.685 9.121 3.306 246 HD2 LYS 27 2HD LYS 27 12.357 8.046 5.147 247 HD3 LYS 27 1HD LYS 27 12.493 6.514 4.286 248 HE2 LYS 27 2HE LYS 27 14.338 6.339 5.666 249 HE3 LYS 27 1HE LYS 27 15.079 7.152 4.288 250 HZ1 LYS 27 3HZ LYS 27 14.828 9.249 5.363 251 HZ2 LYS 27 1HZ LYS 27 15.580 8.196 6.458 252 HZ3 LYS 27 2HZ LYS 27 13.931 8.564 6.633 253 H VAL 28 H VAL 28 12.263 6.785 1.484 254 HA VAL 28 HA VAL 28 13.597 6.296 -0.999 255 HB VAL 28 HB VAL 28 12.072 4.400 0.812 256 HG11 VAL 28 1HG1 VAL 28 13.993 3.876 -1.475 257 HG12 VAL 28 2HG1 VAL 28 12.289 3.428 -1.411 258 HG13 VAL 28 3HG1 VAL 28 13.448 2.649 -0.333 259 HG21 VAL 28 3HG2 VAL 28 14.546 5.779 1.105 260 HG22 VAL 28 1HG2 VAL 28 14.928 4.086 0.797 261 HG23 VAL 28 2HG2 VAL 28 13.881 4.523 2.148 262 H GLY 29 H GLY 29 10.190 6.038 -0.035 263 HA2 GLY 29 2HA GLY 29 9.508 5.666 -2.929 264 HA3 GLY 29 1HA GLY 29 8.583 4.914 -1.630 265 HA PRO 30 HA PRO 30 7.077 9.314 -2.824 266 HB2 PRO 30 2HB PRO 30 4.701 8.468 -3.983 267 HB3 PRO 30 1HB PRO 30 6.169 8.899 -4.879 268 HG2 PRO 30 2HG PRO 30 5.109 6.225 -4.157 269 HG3 PRO 30 1HG PRO 30 5.973 6.747 -5.613 270 HD2 PRO 30 2HD PRO 30 7.176 5.317 -3.627 271 HD3 PRO 30 1HD PRO 30 8.056 6.488 -4.635 272 H ASN 31 H ASN 31 5.316 10.378 -1.711 273 HA ASN 31 HA ASN 31 4.351 8.870 0.623 274 HB2 ASN 31 2HB ASN 31 3.703 11.736 -0.100 275 HB3 ASN 31 1HB ASN 31 3.683 10.992 1.497 276 HD21 ASN 31 1HD2 ASN 31 6.217 9.601 1.366 277 HD22 ASN 31 2HD2 ASN 31 7.447 10.767 1.305 278 H LEU 32 H LEU 32 2.257 8.121 0.844 279 HA LEU 32 HA LEU 32 0.478 8.389 -1.499 280 HB2 LEU 32 2HB LEU 32 0.456 6.679 0.986 281 HB3 LEU 32 1HB LEU 32 -0.959 6.784 -0.062 282 HG LEU 32 HG LEU 32 0.524 6.153 -2.000 283 HD11 LEU 32 1HD1 LEU 32 2.675 4.957 -1.226 284 HD12 LEU 32 2HD1 LEU 32 2.484 5.852 0.280 285 HD13 LEU 32 3HD1 LEU 32 2.700 6.721 -1.238 286 HD21 LEU 32 3HD2 LEU 32 0.978 3.817 -0.389 287 HD22 LEU 32 1HD2 LEU 32 -0.273 4.084 -1.602 288 HD23 LEU 32 2HD2 LEU 32 -0.562 4.537 0.078 289 H HIS 33 H HIS 33 -1.327 7.875 1.279 290 HA HIS 33 HA HIS 33 -2.679 9.270 2.621 291 HB2 HIS 33 2HB HIS 33 -0.552 10.857 2.337 292 HB3 HIS 33 1HB HIS 33 -1.670 11.762 1.315 293 HD1 HIS 33 1HD HIS 33 -1.636 10.217 4.810 294 HD2 HIS 33 2HD HIS 33 -3.332 13.427 2.757 295 HE1 HIS 33 1HE HIS 33 -2.929 11.565 6.525 296 HE2 HIS 33 2HE HIS 33 -3.965 13.519 5.285 297 H GLY 34 H GLY 34 -4.502 8.508 1.440 298 HA2 GLY 34 2HA GLY 34 -6.555 9.194 0.403 299 HA3 GLY 34 1HA GLY 34 -5.706 10.564 -0.315 300 H ILE 35 H ILE 35 -3.832 7.827 -0.697 301 HA ILE 35 HA ILE 35 -4.029 7.785 -3.523 302 HB ILE 35 HB ILE 35 -2.195 6.787 -2.021 303 HG12 ILE 35 2HG1 ILE 35 -2.000 4.756 -3.721 304 HG13 ILE 35 1HG1 ILE 35 -3.347 5.576 -4.511 305 HG21 ILE 35 1HG2 ILE 35 -3.887 4.297 -2.196 306 HG22 ILE 35 2HG2 ILE 35 -3.996 5.374 -0.802 307 HG23 ILE 35 3HG2 ILE 35 -2.465 4.593 -1.196 308 HD11 ILE 35 3HD1 ILE 35 -1.487 6.568 -5.537 309 HD12 ILE 35 1HD1 ILE 35 -0.544 6.568 -4.046 310 HD13 ILE 35 2HD1 ILE 35 -1.866 7.716 -4.252 311 H PHE 36 H PHE 36 -6.087 6.375 -1.125 312 HA PHE 36 HA PHE 36 -7.157 4.196 -2.626 313 HB2 PHE 36 2HB PHE 36 -8.366 5.946 -0.469 314 HB3 PHE 36 1HB PHE 36 -9.158 4.512 -1.115 315 HD1 PHE 36 2HD PHE 36 -8.230 2.274 -0.744 316 HD2 PHE 36 1HD PHE 36 -6.379 5.769 0.933 317 HE1 PHE 36 2HE PHE 36 -6.896 0.840 0.772 318 HE2 PHE 36 1HE PHE 36 -5.045 4.332 2.451 319 HZ PHE 36 HZ PHE 36 -5.304 1.867 2.369 320 H GLY 37 H GLY 37 -8.673 4.136 -4.241 321 HA2 GLY 37 2HA GLY 37 -10.237 4.894 -5.819 322 HA3 GLY 37 1HA GLY 37 -10.590 6.231 -4.723 323 H ARG 38 H ARG 38 -7.310 5.675 -5.783 324 HA ARG 38 HA ARG 38 -7.574 7.907 -7.741 325 HB2 ARG 38 2HB ARG 38 -5.470 7.690 -5.571 326 HB3 ARG 38 1HB ARG 38 -5.478 8.899 -6.855 327 HG2 ARG 38 2HG ARG 38 -7.759 9.616 -6.061 328 HG3 ARG 38 1HG ARG 38 -7.560 8.534 -4.683 329 HD2 ARG 38 2HD ARG 38 -5.370 9.768 -4.212 330 HD3 ARG 38 1HD ARG 38 -5.914 10.968 -5.381 331 HE ARG 38 HE ARG 38 -7.923 10.428 -3.355 332 HH11 ARG 38 1HH2 ARG 38 -5.029 12.121 -4.152 333 HH12 ARG 38 2HH2 ARG 38 -5.318 13.411 -3.032 334 HH21 ARG 38 1HH1 ARG 38 -8.317 12.103 -1.889 335 HH22 ARG 38 2HH1 ARG 38 -7.179 13.401 -1.750 336 H HIS 39 H HIS 39 -5.801 7.981 -9.305 337 HA HIS 39 HA HIS 39 -4.801 5.267 -9.903 338 HB2 HIS 39 2HB HIS 39 -4.739 7.847 -11.496 339 HB3 HIS 39 1HB HIS 39 -4.115 6.303 -12.076 340 HD1 HIS 39 1HD HIS 39 -7.305 8.125 -11.341 341 HD2 HIS 39 2HD HIS 39 -6.126 4.356 -12.686 342 HE1 HIS 39 1HE HIS 39 -9.395 6.988 -12.217 343 HE2 HIS 39 2HE HIS 39 -8.688 4.695 -13.037 344 H SER 40 H SER 40 -2.542 4.864 -10.278 345 HA SER 40 HA SER 40 -0.780 6.156 -8.422 346 HB2 SER 40 2HB SER 40 0.922 4.713 -9.301 347 HB3 SER 40 1HB SER 40 -0.580 3.793 -9.341 348 HG SER 40 HG SER 40 -0.702 4.813 -11.579 349 H GLY 41 H GLY 41 1.166 7.383 -8.953 350 HA2 GLY 41 2HA GLY 41 2.493 8.772 -10.397 351 HA3 GLY 41 1HA GLY 41 1.216 8.686 -11.609 352 H GLN 42 H GLN 42 -0.639 9.254 -9.112 353 HA GLN 42 HA GLN 42 -1.032 12.024 -9.679 354 HB2 GLN 42 2HB GLN 42 -2.754 10.503 -8.672 355 HB3 GLN 42 1HB GLN 42 -1.853 10.560 -7.156 356 HG2 GLN 42 2HG GLN 42 -2.056 13.069 -7.209 357 HG3 GLN 42 1HG GLN 42 -3.124 12.899 -8.603 358 HE21 GLN 42 1HE2 GLN 42 -5.307 12.774 -8.080 359 HE22 GLN 42 2HE2 GLN 42 -5.923 12.250 -6.589 360 H ALA 43 H ALA 43 0.813 10.392 -7.119 361 HA ALA 43 HA ALA 43 1.340 12.614 -5.469 362 HB1 ALA 43 1HB ALA 43 3.016 11.335 -4.506 363 HB2 ALA 43 2HB ALA 43 3.563 10.695 -6.055 364 HB3 ALA 43 3HB ALA 43 2.088 10.073 -5.315 365 H GLU 44 H GLU 44 2.766 14.324 -5.587 366 HA GLU 44 HA GLU 44 4.314 14.595 -8.135 367 HB2 GLU 44 2HB GLU 44 3.031 16.756 -6.435 368 HB3 GLU 44 1HB GLU 44 3.987 17.037 -7.889 369 HG2 GLU 44 2HG GLU 44 2.367 15.668 -9.189 370 HG3 GLU 44 1HG GLU 44 1.390 15.481 -7.733 371 H GLY 45 H GLY 45 6.390 15.643 -7.949 372 HA2 GLY 45 2HA GLY 45 8.226 16.569 -6.687 373 HA3 GLY 45 1HA GLY 45 7.420 16.067 -5.198 374 H TYR 46 H TYR 46 7.131 13.524 -7.282 375 HA TYR 46 HA TYR 46 9.792 12.371 -6.624 376 HB2 TYR 46 2HB TYR 46 8.114 11.725 -4.838 377 HB3 TYR 46 1HB TYR 46 7.203 10.885 -6.096 378 HD1 TYR 46 1HD TYR 46 10.519 11.053 -4.407 379 HD2 TYR 46 2HD TYR 46 7.890 8.743 -6.898 380 HE1 TYR 46 1HE TYR 46 12.033 9.102 -4.195 381 HE2 TYR 46 2HE TYR 46 9.411 6.793 -6.689 382 HH TYR 46 HH TYR 46 12.352 6.824 -5.974 383 H SER 47 H SER 47 10.062 10.218 -7.832 384 HA SER 47 HA SER 47 8.734 10.459 -10.502 385 HB2 SER 47 2HB SER 47 11.415 9.235 -9.795 386 HB3 SER 47 1HB SER 47 10.738 9.362 -11.416 387 HG SER 47 HG SER 47 12.247 11.069 -10.717 388 H TYR 48 H TYR 48 8.048 8.532 -11.543 389 HA TYR 48 HA TYR 48 7.628 6.232 -9.681 390 HB2 TYR 48 2HB TYR 48 6.056 7.268 -12.042 391 HB3 TYR 48 1HB TYR 48 5.799 5.648 -11.397 392 HD1 TYR 48 1HD TYR 48 6.232 9.139 -10.054 393 HD2 TYR 48 2HD TYR 48 4.079 5.427 -9.864 394 HE1 TYR 48 1HE TYR 48 4.778 10.072 -8.274 395 HE2 TYR 48 2HE TYR 48 2.628 6.359 -8.085 396 HH TYR 48 HH TYR 48 2.248 8.078 -6.743 397 H THR 49 H THR 49 7.972 4.089 -10.517 398 HA THR 49 HA THR 49 10.147 3.925 -12.444 399 HB THR 49 HB THR 49 10.110 1.549 -12.003 400 HG1 THR 49 1HG THR 49 7.526 1.963 -11.786 401 HG21 THR 49 3HG2 THR 49 10.095 3.522 -9.914 402 HG22 THR 49 1HG2 THR 49 11.022 2.024 -10.008 403 HG23 THR 49 2HG2 THR 49 9.407 2.018 -9.299 404 H ASP 50 H ASP 50 10.024 2.665 -14.449 405 HA ASP 50 HA ASP 50 7.872 3.416 -16.134 406 HB2 ASP 50 2HB ASP 50 9.907 1.203 -16.419 407 HB3 ASP 50 1HB ASP 50 8.812 1.696 -17.708 408 H ALA 51 H ALA 51 8.363 0.514 -14.186 409 HA ALA 51 HA ALA 51 6.419 -1.171 -15.333 410 HB1 ALA 51 1HB ALA 51 7.398 -2.381 -13.692 411 HB2 ALA 51 2HB ALA 51 6.177 -1.677 -12.631 412 HB3 ALA 51 3HB ALA 51 7.779 -0.945 -12.742 413 H ASN 52 H ASN 52 5.856 0.843 -12.403 414 HA ASN 52 HA ASN 52 3.052 0.523 -12.380 415 HB2 ASN 52 2HB ASN 52 4.353 1.537 -10.526 416 HB3 ASN 52 1HB ASN 52 4.610 2.975 -11.514 417 HD21 ASN 52 1HD2 ASN 52 1.926 0.967 -10.155 418 HD22 ASN 52 2HD2 ASN 52 0.843 2.267 -10.009 419 H ILE 53 H ILE 53 4.985 3.051 -14.031 420 HA ILE 53 HA ILE 53 2.751 4.498 -15.047 421 HB ILE 53 HB ILE 53 5.524 4.174 -16.214 422 HG12 ILE 53 2HG1 ILE 53 5.624 4.997 -13.925 423 HG13 ILE 53 1HG1 ILE 53 5.934 6.332 -15.026 424 HG21 ILE 53 1HG2 ILE 53 4.114 5.114 -17.884 425 HG22 ILE 53 2HG2 ILE 53 4.950 6.479 -17.146 426 HG23 ILE 53 3HG2 ILE 53 3.278 6.128 -16.710 427 HD11 ILE 53 3HD1 ILE 53 4.392 7.313 -13.592 428 HD12 ILE 53 1HD1 ILE 53 3.522 5.803 -13.333 429 HD13 ILE 53 2HD1 ILE 53 3.321 6.692 -14.843 430 H LYS 54 H LYS 54 4.708 1.898 -16.521 431 HA LYS 54 HA LYS 54 3.308 1.805 -18.996 432 HB2 LYS 54 2HB LYS 54 5.467 0.624 -18.515 433 HB3 LYS 54 1HB LYS 54 4.569 -0.531 -17.529 434 HG2 LYS 54 2HG LYS 54 3.175 -1.107 -19.502 435 HG3 LYS 54 1HG LYS 54 4.133 0.005 -20.482 436 HD2 LYS 54 2HD LYS 54 6.179 -1.312 -19.875 437 HD3 LYS 54 1HD LYS 54 5.135 -2.477 -19.060 438 HE2 LYS 54 2HE LYS 54 4.893 -3.516 -21.046 439 HE3 LYS 54 1HE LYS 54 3.969 -2.114 -21.585 440 HZ1 LYS 54 3HZ LYS 54 5.718 -1.277 -22.720 441 HZ2 LYS 54 1HZ LYS 54 6.164 -2.911 -22.798 442 HZ3 LYS 54 2HZ LYS 54 6.876 -1.891 -21.640 443 H LYS 55 H LYS 55 2.669 0.236 -15.885 444 HA LYS 55 HA LYS 55 0.268 -1.083 -16.993 445 HB2 LYS 55 2HB LYS 55 2.046 -1.858 -15.065 446 HB3 LYS 55 1HB LYS 55 0.749 -1.184 -14.079 447 HG2 LYS 55 2HG LYS 55 0.365 -3.255 -16.261 448 HG3 LYS 55 1HG LYS 55 0.415 -3.607 -14.532 449 HD2 LYS 55 2HD LYS 55 -1.503 -1.998 -14.230 450 HD3 LYS 55 1HD LYS 55 -1.617 -1.895 -15.987 451 HE2 LYS 55 2HE LYS 55 -1.817 -4.467 -14.394 452 HE3 LYS 55 1HE LYS 55 -3.194 -3.573 -15.037 453 HZ1 LYS 55 3HZ LYS 55 -2.389 -5.439 -16.458 454 HZ2 LYS 55 1HZ LYS 55 -0.962 -4.561 -16.720 455 HZ3 LYS 55 2HZ LYS 55 -2.452 -3.931 -17.240 456 H ASN 56 H ASN 56 0.849 0.854 -14.039 457 HA ASN 56 HA ASN 56 -0.451 2.536 -13.059 458 HB2 ASN 56 2HB ASN 56 -0.499 3.123 -15.747 459 HB3 ASN 56 1HB ASN 56 -2.217 2.967 -15.377 460 HD21 ASN 56 1HD2 ASN 56 0.438 4.165 -13.266 461 HD22 ASN 56 2HD2 ASN 56 -0.250 5.696 -13.009 462 H VAL 57 H VAL 57 -1.806 1.726 -11.567 463 HA VAL 57 HA VAL 57 -4.319 0.413 -12.509 464 HB VAL 57 HB VAL 57 -2.733 -1.299 -11.723 465 HG11 VAL 57 1HG1 VAL 57 -1.517 -1.097 -9.797 466 HG12 VAL 57 2HG1 VAL 57 -2.837 -0.310 -8.929 467 HG13 VAL 57 3HG1 VAL 57 -1.825 0.623 -10.030 468 HG21 VAL 57 3HG2 VAL 57 -4.452 -2.417 -10.766 469 HG22 VAL 57 1HG2 VAL 57 -5.363 -0.909 -10.843 470 HG23 VAL 57 2HG2 VAL 57 -4.470 -1.327 -9.380 471 H LEU 58 H LEU 58 -6.147 0.770 -11.174 472 HA LEU 58 HA LEU 58 -6.107 3.253 -9.659 473 HB2 LEU 58 2HB LEU 58 -8.095 2.575 -10.951 474 HB3 LEU 58 1HB LEU 58 -8.263 1.132 -9.956 475 HG LEU 58 HG LEU 58 -8.530 2.613 -7.946 476 HD11 LEU 58 1HD1 LEU 58 -7.791 4.731 -8.220 477 HD12 LEU 58 2HD1 LEU 58 -9.328 5.025 -9.031 478 HD13 LEU 58 3HD1 LEU 58 -7.895 4.632 -9.977 479 HD21 LEU 58 3HD2 LEU 58 -10.558 3.424 -10.015 480 HD22 LEU 58 1HD2 LEU 58 -10.813 2.979 -8.327 481 HD23 LEU 58 2HD2 LEU 58 -10.425 1.738 -9.518 482 H TRP 59 H TRP 59 -5.817 3.458 -7.466 483 HA TRP 59 HA TRP 59 -5.400 0.950 -5.944 484 HB2 TRP 59 2HB TRP 59 -4.687 3.834 -5.371 485 HB3 TRP 59 1HB TRP 59 -4.453 2.531 -4.204 486 HD1 TRP 59 HD TRP 59 -2.918 4.113 -7.202 487 HE1 TRP 59 1HE TRP 59 -0.819 2.798 -7.929 488 HE3 TRP 59 3HE TRP 59 -3.439 -0.034 -4.293 489 HZ2 TRP 59 2HZ TRP 59 0.469 0.305 -7.345 490 HZ3 TRP 59 3HZ TRP 59 -1.767 -1.852 -4.385 491 HH2 TRP 59 HH TRP 59 0.186 -1.692 -5.905 492 H ASP 60 H ASP 60 -6.884 0.230 -4.593 493 HA ASP 60 HA ASP 60 -8.649 2.048 -3.105 494 HB2 ASP 60 2HB ASP 60 -10.703 0.848 -3.831 495 HB3 ASP 60 1HB ASP 60 -9.925 1.686 -5.174 496 H GLU 61 H GLU 61 -10.201 0.412 -1.731 497 HA GLU 61 HA GLU 61 -8.454 -1.050 -0.039 498 HB2 GLU 61 2HB GLU 61 -11.443 -1.358 -0.429 499 HB3 GLU 61 1HB GLU 61 -10.529 -2.022 0.926 500 HG2 GLU 61 2HG GLU 61 -9.791 0.269 1.528 501 HG3 GLU 61 1HG GLU 61 -10.765 0.913 0.206 502 H ASN 62 H ASN 62 -10.555 -2.218 -2.681 503 HA ASN 62 HA ASN 62 -9.964 -5.003 -2.267 504 HB2 ASN 62 2HB ASN 62 -11.909 -4.225 -3.566 505 HB3 ASN 62 1HB ASN 62 -10.825 -3.570 -4.796 506 HD21 ASN 62 1HD2 ASN 62 -9.816 -5.049 -6.264 507 HD22 ASN 62 2HD2 ASN 62 -10.188 -6.706 -6.297 508 H ASN 63 H ASN 63 -8.650 -2.647 -4.595 509 HA ASN 63 HA ASN 63 -6.828 -4.402 -5.865 510 HB2 ASN 63 2HB ASN 63 -7.501 -2.121 -6.660 511 HB3 ASN 63 1HB ASN 63 -6.442 -1.435 -5.428 512 HD21 ASN 63 1HD2 ASN 63 -4.569 -0.746 -6.469 513 HD22 ASN 63 2HD2 ASN 63 -3.717 -1.644 -7.630 514 H MET 64 H MET 64 -6.346 -2.340 -2.994 515 HA MET 64 HA MET 64 -3.551 -2.829 -2.740 516 HB2 MET 64 2HB MET 64 -5.658 -2.190 -0.664 517 HB3 MET 64 1HB MET 64 -3.937 -2.299 -0.287 518 HG2 MET 64 2HG MET 64 -3.499 -0.596 -2.076 519 HG3 MET 64 1HG MET 64 -5.240 -0.411 -2.262 520 HE1 MET 64 3HE MET 64 -5.184 2.523 -1.238 521 HE2 MET 64 1HE MET 64 -3.875 1.743 -2.138 522 HE3 MET 64 2HE MET 64 -3.524 2.639 -0.660 523 H SER 65 H SER 65 -6.343 -4.696 -1.588 524 HA SER 65 HA SER 65 -4.883 -6.517 0.052 525 HB2 SER 65 2HB SER 65 -6.805 -7.981 -0.139 526 HB3 SER 65 1HB SER 65 -7.389 -6.321 -0.049 527 HG SER 65 HG SER 65 -8.323 -7.659 -1.751 528 H GLU 66 H GLU 66 -5.672 -6.643 -3.428 529 HA GLU 66 HA GLU 66 -4.391 -9.196 -3.859 530 HB2 GLU 66 2HB GLU 66 -6.069 -8.175 -5.418 531 HB3 GLU 66 1HB GLU 66 -4.860 -6.973 -5.869 532 HG2 GLU 66 2HG GLU 66 -3.338 -8.817 -6.573 533 HG3 GLU 66 1HG GLU 66 -4.621 -9.975 -6.217 534 H HIS 67 H HIS 67 -3.325 -5.839 -4.012 535 HA HIS 67 HA HIS 67 -0.790 -6.238 -5.223 536 HB2 HIS 67 2HB HIS 67 -1.789 -4.029 -4.878 537 HB3 HIS 67 1HB HIS 67 -1.626 -4.209 -3.133 538 HD1 HIS 67 1HD HIS 67 0.658 -4.346 -6.188 539 HD2 HIS 67 2HD HIS 67 0.743 -3.125 -2.215 540 HE1 HIS 67 1HE HIS 67 2.940 -3.326 -5.805 541 HE2 HIS 67 2HE HIS 67 3.004 -2.579 -3.385 542 H LEU 68 H LEU 68 -1.695 -6.262 -1.776 543 HA LEU 68 HA LEU 68 0.935 -6.745 -0.790 544 HB2 LEU 68 2HB LEU 68 -1.744 -7.533 0.393 545 HB3 LEU 68 1HB LEU 68 -0.214 -7.517 1.264 546 HG LEU 68 HG LEU 68 -1.501 -5.112 -0.051 547 HD11 LEU 68 1HD1 LEU 68 -2.771 -5.481 1.882 548 HD12 LEU 68 2HD1 LEU 68 -1.504 -4.405 2.464 549 HD13 LEU 68 3HD1 LEU 68 -1.398 -6.138 2.773 550 HD21 LEU 68 3HD2 LEU 68 0.373 -4.107 1.590 551 HD22 LEU 68 1HD2 LEU 68 0.720 -4.519 -0.089 552 HD23 LEU 68 2HD2 LEU 68 1.148 -5.642 1.202 553 H THR 69 H THR 69 -1.510 -8.937 -2.089 554 HA THR 69 HA THR 69 0.049 -11.283 -1.223 555 HB THR 69 HB THR 69 -2.281 -11.248 -3.156 556 HG1 THR 69 1HG THR 69 -2.164 -10.721 -0.476 557 HG21 THR 69 3HG2 THR 69 -2.564 -13.538 -2.458 558 HG22 THR 69 1HG2 THR 69 -1.352 -13.356 -1.189 559 HG23 THR 69 2HG2 THR 69 -0.866 -13.324 -2.884 560 H ASN 70 H ASN 70 1.657 -12.161 -2.419 561 HA ASN 70 HA ASN 70 3.242 -12.269 -4.172 562 HB2 ASN 70 2HB ASN 70 0.551 -12.901 -5.363 563 HB3 ASN 70 1HB ASN 70 2.003 -12.936 -6.365 564 HD21 ASN 70 1HD2 ASN 70 2.794 -13.692 -3.144 565 HD22 ASN 70 2HD2 ASN 70 2.805 -15.383 -3.287 566 HA PRO 71 HA PRO 71 2.073 -7.866 -5.588 567 HB2 PRO 71 2HB PRO 71 4.517 -6.841 -4.692 568 HB3 PRO 71 1HB PRO 71 2.963 -6.695 -3.857 569 HG2 PRO 71 2HG PRO 71 5.215 -8.542 -3.353 570 HG3 PRO 71 1HG PRO 71 4.043 -7.843 -2.225 571 HD2 PRO 71 2HD PRO 71 3.926 -10.438 -3.039 572 HD3 PRO 71 1HD PRO 71 2.480 -9.500 -2.603 573 H ALA 72 H ALA 72 4.786 -10.030 -5.990 574 HA ALA 72 HA ALA 72 6.293 -8.562 -7.903 575 HB1 ALA 72 1HB ALA 72 7.388 -10.473 -7.141 576 HB2 ALA 72 2HB ALA 72 6.848 -10.997 -8.736 577 HB3 ALA 72 3HB ALA 72 5.949 -11.482 -7.298 578 H LYS 73 H LYS 73 3.897 -11.155 -8.564 579 HA LYS 73 HA LYS 73 3.802 -10.684 -11.378 580 HB2 LYS 73 2HB LYS 73 1.701 -11.839 -9.518 581 HB3 LYS 73 1HB LYS 73 1.632 -11.919 -11.280 582 HG2 LYS 73 2HG LYS 73 3.834 -13.098 -11.271 583 HG3 LYS 73 1HG LYS 73 3.786 -13.107 -9.508 584 HD2 LYS 73 2HD LYS 73 1.617 -14.341 -9.612 585 HD3 LYS 73 1HD LYS 73 1.784 -14.419 -11.367 586 HE2 LYS 73 2HE LYS 73 4.244 -15.325 -10.450 587 HE3 LYS 73 1HE LYS 73 3.099 -16.023 -9.305 588 HZ1 LYS 73 3HZ LYS 73 3.525 -16.647 -12.071 589 HZ2 LYS 73 1HZ LYS 73 1.890 -16.368 -11.710 590 HZ3 LYS 73 2HZ LYS 73 2.757 -17.557 -10.860 591 H TYR 74 H TYR 74 2.070 -9.226 -8.685 592 HA TYR 74 HA TYR 74 0.003 -7.907 -10.088 593 HB2 TYR 74 2HB TYR 74 0.085 -7.985 -7.657 594 HB3 TYR 74 1HB TYR 74 1.569 -7.034 -7.648 595 HD1 TYR 74 1HD TYR 74 -2.077 -6.938 -8.300 596 HD2 TYR 74 2HD TYR 74 1.555 -4.676 -8.032 597 HE1 TYR 74 1HE TYR 74 -3.388 -4.831 -8.278 598 HE2 TYR 74 2HE TYR 74 0.256 -2.573 -8.014 599 HH TYR 74 HH TYR 74 -1.768 -1.682 -7.881 600 H ILE 75 H ILE 75 3.298 -6.682 -9.341 601 HA ILE 75 HA ILE 75 3.186 -5.063 -11.790 602 HB ILE 75 HB ILE 75 2.117 -3.666 -9.983 603 HG12 ILE 75 2HG1 ILE 75 3.818 -1.714 -10.328 604 HG13 ILE 75 1HG1 ILE 75 4.636 -2.851 -11.402 605 HG21 ILE 75 1HG2 ILE 75 4.028 -4.650 -8.336 606 HG22 ILE 75 2HG2 ILE 75 3.190 -3.127 -8.043 607 HG23 ILE 75 3HG2 ILE 75 4.778 -3.120 -8.794 608 HD11 ILE 75 3HD1 ILE 75 3.190 -2.048 -12.971 609 HD12 ILE 75 1HD1 ILE 75 2.064 -1.440 -11.758 610 HD13 ILE 75 2HD1 ILE 75 2.038 -3.144 -12.209 611 HA PRO 76 HA PRO 76 7.351 -6.731 -10.722 612 HB2 PRO 76 2HB PRO 76 7.905 -7.724 -13.214 613 HB3 PRO 76 1HB PRO 76 7.048 -8.637 -11.958 614 HG2 PRO 76 2HG PRO 76 6.002 -7.318 -14.379 615 HG3 PRO 76 1HG PRO 76 5.400 -8.737 -13.509 616 HD2 PRO 76 2HD PRO 76 4.322 -6.155 -13.369 617 HD3 PRO 76 1HD PRO 76 3.992 -7.476 -12.227 618 H GLY 77 H GLY 77 9.420 -5.882 -11.290 619 HA2 GLY 77 2HA GLY 77 10.910 -4.563 -12.664 620 HA3 GLY 77 1HA GLY 77 9.502 -3.854 -13.454 621 H THR 78 H THR 78 8.796 -3.926 -10.226 622 HA THR 78 HA THR 78 9.482 -1.057 -9.960 623 HB THR 78 HB THR 78 7.965 -1.092 -8.025 624 HG1 THR 78 1HG THR 78 7.636 -2.913 -7.076 625 HG21 THR 78 3HG2 THR 78 5.996 -1.252 -9.260 626 HG22 THR 78 1HG2 THR 78 6.553 -2.665 -10.156 627 HG23 THR 78 2HG2 THR 78 7.201 -1.071 -10.534 628 H LYS 79 H LYS 79 10.298 -0.338 -7.773 629 HA LYS 79 HA LYS 79 12.555 -2.081 -6.991 630 HB2 LYS 79 2HB LYS 79 11.869 0.767 -6.210 631 HB3 LYS 79 1HB LYS 79 13.360 -0.076 -5.789 632 HG2 LYS 79 2HG LYS 79 13.793 -0.398 -8.241 633 HG3 LYS 79 1HG LYS 79 12.388 0.614 -8.575 634 HD2 LYS 79 2HD LYS 79 14.767 1.496 -6.915 635 HD3 LYS 79 1HD LYS 79 14.547 1.885 -8.621 636 HE2 LYS 79 2HE LYS 79 12.229 2.809 -7.883 637 HE3 LYS 79 1HE LYS 79 12.915 2.802 -6.257 638 HZ1 LYS 79 3HZ LYS 79 13.248 4.738 -8.181 639 HZ2 LYS 79 1HZ LYS 79 14.733 3.918 -8.132 640 HZ3 LYS 79 2HZ LYS 79 14.093 4.603 -6.714 641 H MET 80 H MET 80 9.517 -2.249 -6.092 642 HA MET 80 HA MET 80 9.732 -1.866 -3.202 643 HB2 MET 80 2HB MET 80 7.624 -3.234 -4.899 644 HB3 MET 80 1HB MET 80 7.493 -2.995 -3.156 645 HG2 MET 80 2HG MET 80 8.129 -0.468 -3.982 646 HG3 MET 80 1HG MET 80 7.183 -1.047 -5.354 647 HE1 MET 80 3HE MET 80 3.693 -1.238 -4.323 648 HE2 MET 80 1HE MET 80 4.852 -2.421 -4.947 649 HE3 MET 80 2HE MET 80 4.881 -0.759 -5.532 650 H ALA 81 H ALA 81 10.285 -3.363 -1.699 651 HA ALA 81 HA ALA 81 10.910 -6.122 -2.672 652 HB1 ALA 81 1HB ALA 81 12.697 -4.451 -1.614 653 HB2 ALA 81 2HB ALA 81 12.740 -6.177 -1.254 654 HB3 ALA 81 3HB ALA 81 12.012 -5.054 -0.106 655 H PHE 82 H PHE 82 8.307 -5.017 -1.662 656 HA PHE 82 HA PHE 82 7.925 -6.140 1.004 657 HB2 PHE 82 2HB PHE 82 6.593 -4.220 0.000 658 HB3 PHE 82 1HB PHE 82 5.798 -5.410 -1.028 659 HD1 PHE 82 2HD PHE 82 6.297 -4.281 2.459 660 HD2 PHE 82 1HD PHE 82 4.172 -6.963 -0.133 661 HE1 PHE 82 2HE PHE 82 4.717 -4.807 4.296 662 HE2 PHE 82 1HE PHE 82 2.591 -7.488 1.702 663 HZ PHE 82 HZ PHE 82 2.862 -6.408 3.917 664 H GLY 83 H GLY 83 7.393 -8.235 1.465 665 HA2 GLY 83 2HA GLY 83 7.119 -10.118 -0.792 666 HA3 GLY 83 1HA GLY 83 7.341 -10.560 0.900 667 H GLY 84 H GLY 84 5.466 -12.023 -0.173 668 HA2 GLY 84 2HA GLY 84 2.837 -10.725 -0.084 669 HA3 GLY 84 1HA GLY 84 3.135 -12.434 -0.393 670 H LEU 85 H LEU 85 1.270 -11.071 1.564 671 HA LEU 85 HA LEU 85 2.433 -11.962 4.149 672 HB2 LEU 85 2HB LEU 85 -0.227 -10.613 3.592 673 HB3 LEU 85 1HB LEU 85 0.509 -10.861 5.175 674 HG LEU 85 HG LEU 85 1.621 -9.155 2.928 675 HD11 LEU 85 1HD1 LEU 85 1.366 -7.642 5.241 676 HD12 LEU 85 2HD1 LEU 85 -0.081 -8.649 5.256 677 HD13 LEU 85 3HD1 LEU 85 0.258 -7.614 3.870 678 HD21 LEU 85 3HD2 LEU 85 3.192 -8.531 4.969 679 HD22 LEU 85 1HD2 LEU 85 3.557 -9.933 3.964 680 HD23 LEU 85 2HD2 LEU 85 2.759 -10.148 5.522 681 H LYS 86 H LYS 86 2.078 -14.035 4.731 682 HA LYS 86 HA LYS 86 0.241 -15.769 3.381 683 HB2 LYS 86 2HB LYS 86 2.278 -16.536 4.606 684 HB3 LYS 86 1HB LYS 86 1.476 -16.140 6.126 685 HG2 LYS 86 2HG LYS 86 -0.319 -17.733 5.627 686 HG3 LYS 86 1HG LYS 86 0.412 -18.091 4.063 687 HD2 LYS 86 2HD LYS 86 1.055 -19.836 5.625 688 HD3 LYS 86 1HD LYS 86 2.476 -18.858 5.260 689 HE2 LYS 86 2HE LYS 86 0.911 -17.850 7.538 690 HE3 LYS 86 1HE LYS 86 1.587 -19.457 7.800 691 HZ1 LYS 86 3HZ LYS 86 3.550 -17.924 6.564 692 HZ2 LYS 86 1HZ LYS 86 3.539 -18.512 8.156 693 HZ3 LYS 86 2HZ LYS 86 2.905 -16.973 7.816 694 H LYS 87 H LYS 87 -0.002 -13.957 6.436 695 HA LYS 87 HA LYS 87 -2.644 -15.114 6.987 696 HB2 LYS 87 2HB LYS 87 -1.065 -12.937 8.377 697 HB3 LYS 87 1HB LYS 87 -2.616 -13.556 8.942 698 HG2 LYS 87 2HG LYS 87 -1.604 -15.855 8.998 699 HG3 LYS 87 1HG LYS 87 -0.044 -15.122 8.623 700 HD2 LYS 87 2HD LYS 87 -0.283 -13.682 10.649 701 HD3 LYS 87 1HD LYS 87 -1.766 -14.550 11.047 702 HE2 LYS 87 2HE LYS 87 -0.006 -15.593 12.306 703 HE3 LYS 87 1HE LYS 87 -0.401 -16.691 10.983 704 HZ1 LYS 87 3HZ LYS 87 1.992 -16.387 11.236 705 HZ2 LYS 87 1HZ LYS 87 1.820 -14.720 10.967 706 HZ3 LYS 87 2HZ LYS 87 1.451 -15.822 9.728 707 H GLU 88 H GLU 88 -4.525 -14.259 6.339 708 HA GLU 88 HA GLU 88 -4.578 -11.874 4.676 709 HB2 GLU 88 2HB GLU 88 -6.809 -13.598 5.796 710 HB3 GLU 88 1HB GLU 88 -7.040 -12.300 4.622 711 HG2 GLU 88 2HG GLU 88 -5.484 -13.457 3.066 712 HG3 GLU 88 1HG GLU 88 -5.334 -14.777 4.228 713 H LYS 89 H LYS 89 -5.288 -12.610 8.039 714 HA LYS 89 HA LYS 89 -6.912 -10.405 8.708 715 HB2 LYS 89 2HB LYS 89 -4.748 -11.750 10.351 716 HB3 LYS 89 1HB LYS 89 -5.956 -10.644 11.004 717 HG2 LYS 89 2HG LYS 89 -7.747 -12.156 10.141 718 HG3 LYS 89 1HG LYS 89 -6.498 -13.290 9.629 719 HD2 LYS 89 2HD LYS 89 -5.686 -13.398 11.989 720 HD3 LYS 89 1HD LYS 89 -7.035 -12.367 12.466 721 HE2 LYS 89 2HE LYS 89 -7.476 -14.823 12.789 722 HE3 LYS 89 1HE LYS 89 -8.643 -14.022 11.736 723 HZ1 LYS 89 3HZ LYS 89 -8.059 -15.324 10.060 724 HZ2 LYS 89 1HZ LYS 89 -7.102 -16.224 11.132 725 HZ3 LYS 89 2HZ LYS 89 -6.413 -14.946 10.249 726 H ASP 90 H ASP 90 -3.326 -10.575 8.675 727 HA ASP 90 HA ASP 90 -2.939 -7.861 9.494 728 HB2 ASP 90 2HB ASP 90 -1.193 -9.678 7.801 729 HB3 ASP 90 1HB ASP 90 -0.674 -8.137 8.473 730 H ARG 91 H ARG 91 -3.353 -9.392 6.335 731 HA ARG 91 HA ARG 91 -2.808 -7.129 4.701 732 HB2 ARG 91 2HB ARG 91 -3.075 -9.476 3.885 733 HB3 ARG 91 1HB ARG 91 -4.808 -9.351 4.191 734 HG2 ARG 91 2HG ARG 91 -4.869 -7.368 2.647 735 HG3 ARG 91 1HG ARG 91 -3.181 -7.692 2.248 736 HD2 ARG 91 2HD ARG 91 -5.489 -9.619 1.863 737 HD3 ARG 91 1HD ARG 91 -4.667 -8.728 0.583 738 HE ARG 91 HE ARG 91 -2.582 -10.057 1.693 739 HH11 ARG 91 1HH2 ARG 91 -5.786 -11.020 0.852 740 HH12 ARG 91 2HH2 ARG 91 -5.348 -12.665 0.528 741 HH21 ARG 91 1HH1 ARG 91 -1.994 -12.197 1.274 742 HH22 ARG 91 2HH1 ARG 91 -3.202 -13.330 0.766 743 H ASN 92 H ASN 92 -5.885 -8.271 6.118 744 HA ASN 92 HA ASN 92 -7.487 -6.187 4.965 745 HB2 ASN 92 2HB ASN 92 -8.375 -8.322 5.940 746 HB3 ASN 92 1HB ASN 92 -8.006 -7.687 7.545 747 HD21 ASN 92 1HD2 ASN 92 -9.874 -6.858 4.579 748 HD22 ASN 92 2HD2 ASN 92 -11.084 -5.997 5.402 749 H ASP 93 H ASP 93 -6.039 -6.496 8.232 750 HA ASP 93 HA ASP 93 -6.978 -3.951 9.144 751 HB2 ASP 93 2HB ASP 93 -6.050 -5.867 10.556 752 HB3 ASP 93 1HB ASP 93 -4.445 -5.309 10.081 753 H LEU 94 H LEU 94 -3.993 -4.936 7.491 754 HA LEU 94 HA LEU 94 -2.535 -2.545 7.758 755 HB2 LEU 94 2HB LEU 94 -1.571 -4.552 6.743 756 HB3 LEU 94 1HB LEU 94 -2.678 -4.418 5.377 757 HG LEU 94 HG LEU 94 -1.682 -2.283 4.731 758 HD11 LEU 94 1HD1 LEU 94 0.554 -1.784 6.065 759 HD12 LEU 94 2HD1 LEU 94 -0.290 -2.633 7.359 760 HD13 LEU 94 3HD1 LEU 94 -0.995 -1.180 6.651 761 HD21 LEU 94 3HD2 LEU 94 -0.496 -4.744 4.480 762 HD22 LEU 94 1HD2 LEU 94 0.806 -3.796 5.199 763 HD23 LEU 94 2HD2 LEU 94 0.072 -3.277 3.683 764 H ILE 95 H ILE 95 -4.935 -3.382 5.232 765 HA ILE 95 HA ILE 95 -4.717 -0.836 3.899 766 HB ILE 95 HB ILE 95 -7.069 -2.739 3.919 767 HG12 ILE 95 2HG1 ILE 95 -4.695 -2.620 2.033 768 HG13 ILE 95 1HG1 ILE 95 -4.898 -3.826 3.305 769 HG21 ILE 95 1HG2 ILE 95 -6.453 -1.288 1.464 770 HG22 ILE 95 2HG2 ILE 95 -6.787 -0.195 2.808 771 HG23 ILE 95 3HG2 ILE 95 -7.981 -1.405 2.338 772 HD11 ILE 95 3HD1 ILE 95 -6.924 -4.664 2.273 773 HD12 ILE 95 1HD1 ILE 95 -5.664 -4.609 1.039 774 HD13 ILE 95 2HD1 ILE 95 -6.908 -3.359 1.085 775 H THR 96 H THR 96 -6.878 -2.099 6.408 776 HA THR 96 HA THR 96 -8.649 0.101 6.579 777 HB THR 96 HB THR 96 -7.687 -1.638 8.865 778 HG1 THR 96 1HG THR 96 -9.035 -3.126 8.148 779 HG21 THR 96 3HG2 THR 96 -8.989 0.321 9.566 780 HG22 THR 96 1HG2 THR 96 -9.937 -1.151 9.780 781 HG23 THR 96 2HG2 THR 96 -10.253 -0.091 8.406 782 H TYR 97 H TYR 97 -5.509 -0.449 8.209 783 HA TYR 97 HA TYR 97 -5.613 1.877 9.855 784 HB2 TYR 97 2HB TYR 97 -3.914 0.085 10.119 785 HB3 TYR 97 1HB TYR 97 -3.164 0.594 8.604 786 HD1 TYR 97 1HD TYR 97 -3.990 1.673 12.064 787 HD2 TYR 97 2HD TYR 97 -1.747 2.517 8.500 788 HE1 TYR 97 1HE TYR 97 -2.710 3.414 13.281 789 HE2 TYR 97 2HE TYR 97 -0.466 4.257 9.717 790 HH TYR 97 HH TYR 97 -1.239 5.083 13.089 791 H LEU 98 H LEU 98 -4.197 1.426 6.594 792 HA LEU 98 HA LEU 98 -3.549 4.226 6.282 793 HB2 LEU 98 2HB LEU 98 -3.988 2.041 4.221 794 HB3 LEU 98 1HB LEU 98 -3.374 3.650 3.845 795 HG LEU 98 HG LEU 98 -2.073 1.670 5.740 796 HD11 LEU 98 1HD1 LEU 98 -0.556 2.558 3.413 797 HD12 LEU 98 2HD1 LEU 98 -2.053 1.748 2.944 798 HD13 LEU 98 3HD1 LEU 98 -0.883 0.917 3.972 799 HD21 LEU 98 3HD2 LEU 98 -1.298 3.671 6.575 800 HD22 LEU 98 1HD2 LEU 98 -1.637 4.543 5.081 801 HD23 LEU 98 2HD2 LEU 98 -0.194 3.538 5.207 802 H LYS 99 H LYS 99 -6.380 2.253 5.667 803 HA LYS 99 HA LYS 99 -7.854 3.968 3.991 804 HB2 LYS 99 2HB LYS 99 -8.560 1.668 4.720 805 HB3 LYS 99 1HB LYS 99 -8.952 2.338 6.302 806 HG2 LYS 99 2HG LYS 99 -10.505 3.946 5.162 807 HG3 LYS 99 1HG LYS 99 -10.210 3.077 3.657 808 HD2 LYS 99 2HD LYS 99 -11.058 1.005 4.655 809 HD3 LYS 99 1HD LYS 99 -11.310 1.833 6.192 810 HE2 LYS 99 2HE LYS 99 -12.571 2.982 3.732 811 HE3 LYS 99 1HE LYS 99 -13.305 1.556 4.465 812 HZ1 LYS 99 3HZ LYS 99 -14.083 3.816 5.278 813 HZ2 LYS 99 1HZ LYS 99 -12.588 3.934 6.068 814 HZ3 LYS 99 2HZ LYS 99 -13.656 2.675 6.464 815 H LYS 100 H LYS 100 -7.563 3.971 7.543 816 HA LYS 100 HA LYS 100 -9.361 6.132 8.045 817 HB2 LYS 100 2HB LYS 100 -6.885 5.241 9.550 818 HB3 LYS 100 1HB LYS 100 -8.079 6.380 10.175 819 HG2 LYS 100 2HG LYS 100 -9.836 4.647 9.935 820 HG3 LYS 100 1HG LYS 100 -8.612 3.506 9.370 821 HD2 LYS 100 2HD LYS 100 -7.394 3.732 11.486 822 HD3 LYS 100 1HD LYS 100 -8.577 4.907 12.051 823 HE2 LYS 100 2HE LYS 100 -10.293 2.969 11.486 824 HE3 LYS 100 1HE LYS 100 -8.869 1.948 11.684 825 HZ1 LYS 100 3HZ LYS 100 -10.417 2.714 13.701 826 HZ2 LYS 100 1HZ LYS 100 -9.278 3.971 13.726 827 HZ3 LYS 100 2HZ LYS 100 -8.765 2.358 13.876 828 H ALA 101 H ALA 101 -5.876 6.049 7.437 829 HA ALA 101 HA ALA 101 -5.357 8.824 7.778 830 HB1 ALA 101 1HB ALA 101 -4.023 6.695 6.098 831 HB2 ALA 101 2HB ALA 101 -3.476 7.375 7.631 832 HB3 ALA 101 3HB ALA 101 -3.419 8.351 6.163 833 H THR 102 H THR 102 -6.866 7.086 5.151 834 HA THR 102 HA THR 102 -6.461 8.808 2.985 835 HB THR 102 HB THR 102 -7.931 6.622 3.242 836 HG1 THR 102 1HG THR 102 -7.441 7.718 1.293 837 HG21 THR 102 3HG2 THR 102 -10.080 8.750 3.290 838 HG22 THR 102 1HG2 THR 102 -9.570 7.883 4.740 839 HG23 THR 102 2HG2 THR 102 -10.282 7.001 3.390 840 H GLU 103 H GLU 103 -8.715 9.199 5.703 841 HA GLU 103 HA GLU 103 -10.036 11.532 4.705 842 HB2 GLU 103 2HB GLU 103 -10.817 10.159 6.651 843 HB3 GLU 103 1HB GLU 103 -9.488 10.822 7.602 844 HG2 GLU 103 2HG GLU 103 -10.357 13.116 7.155 845 HG3 GLU 103 1HG GLU 103 -11.732 12.401 6.311 846 HHA HEC 201 HA HEC 104 4.999 3.200 -6.104 847 HHB HEC 201 HB HEC 104 1.160 0.490 -1.877 848 HHC HEC 201 HC HEC 104 6.152 -0.874 1.761 849 HHD HEC 201 HD HEC 104 9.983 1.804 -2.497 850 HMA1 HEC 201 1HMA HEC 104 -0.088 1.018 -4.279 851 HMA2 HEC 201 2HMA HEC 104 0.060 2.707 -4.758 852 HMA3 HEC 201 3HMA HEC 104 0.084 2.271 -3.050 853 HAA1 HEC 201 1HAA HEC 104 2.934 1.958 -7.107 854 HAA2 HEC 201 2HAA HEC 104 1.280 2.289 -6.626 855 HBA1 HEC 201 1HBA HEC 104 2.847 4.096 -7.886 856 HBA2 HEC 201 2HBA HEC 104 3.189 4.514 -6.207 857 HMB1 HEC 201 1HMB HEC 104 1.278 -2.189 0.765 858 HMB2 HEC 201 2HMB HEC 104 0.455 -0.632 0.775 859 HMB3 HEC 201 3HMB HEC 104 0.835 -1.424 -0.747 860 HAB HEC 201 HAB HEC 104 4.360 -1.630 2.813 861 HBB1 HEC 201 1HBB HEC 104 2.274 -1.644 4.160 862 HBB2 HEC 201 2HBB HEC 104 2.166 -2.657 2.727 863 HBB3 HEC 201 3HBB HEC 104 1.389 -1.072 2.755 864 HMC1 HEC 201 1HMC HEC 104 9.965 -1.030 1.826 865 HMC2 HEC 201 2HMC HEC 104 8.679 -2.116 1.298 866 HMC3 HEC 201 3HMC HEC 104 8.377 -0.953 2.589 867 HAC HEC 201 HAC HEC 104 10.968 1.783 -0.533 868 HBC1 HEC 201 1HBC HEC 104 12.494 0.138 -0.706 869 HBC2 HEC 201 2HBC HEC 104 12.100 -0.432 0.915 870 HBC3 HEC 201 3HBC HEC 104 11.200 -1.038 -0.474 871 HMD1 HEC 201 1HMD HEC 104 10.587 3.560 -4.785 872 HMD2 HEC 201 2HMD HEC 104 10.035 2.643 -6.186 873 HMD3 HEC 201 3HMD HEC 104 10.515 1.801 -4.713 874 HAD1 HEC 201 1HAD HEC 104 8.436 4.758 -6.363 875 HAD2 HEC 201 2HAD HEC 104 6.681 4.721 -6.398 876 HBD1 HEC 201 1HBD HEC 104 8.391 3.876 -8.427 877 HBD2 HEC 201 2HBD HEC 104 7.824 2.378 -7.688 Start of MODEL 9 1 H1 THR -5 1HT THR -5 -20.409 -6.775 0.962 2 H2 THR -5 2HT THR -5 -19.532 -7.999 0.176 3 H3 THR -5 3HT THR -5 -18.871 -6.442 0.332 4 HA THR -5 HA THR -5 -18.881 -6.719 2.774 5 HB THR -5 HB THR -5 -19.137 -9.659 2.406 6 HG1 THR -5 1HG THR -5 -20.913 -8.619 1.241 7 HG21 THR -5 1HG2 THR -5 -19.735 -9.602 4.647 8 HG22 THR -5 2HG2 THR -5 -20.466 -8.002 4.516 9 HG23 THR -5 3HG2 THR -5 -18.711 -8.170 4.548 10 H GLU -4 H GLU -4 -17.260 -6.868 0.211 11 HA GLU -4 HA GLU -4 -15.274 -8.903 0.443 12 HB2 GLU -4 2HB GLU -4 -15.080 -6.099 -0.698 13 HB3 GLU -4 1HB GLU -4 -13.860 -7.354 -0.920 14 HG2 GLU -4 2HG GLU -4 -16.766 -7.591 -1.759 15 HG3 GLU -4 1HG GLU -4 -15.426 -7.228 -2.847 16 H PHE -3 H PHE -3 -15.633 -5.764 2.011 17 HA PHE -3 HA PHE -3 -13.021 -6.156 3.386 18 HB2 PHE -3 2HB PHE -3 -13.520 -3.931 2.363 19 HB3 PHE -3 1HB PHE -3 -14.898 -3.771 3.452 20 HD1 PHE -3 1HD PHE -3 -11.223 -3.822 3.206 21 HD2 PHE -3 2HD PHE -3 -14.585 -3.436 5.854 22 HE1 PHE -3 1HE PHE -3 -9.722 -2.971 4.989 23 HE2 PHE -3 2HE PHE -3 -13.081 -2.586 7.635 24 HZ PHE -3 HZ PHE -3 -10.653 -2.353 7.202 25 H LYS -2 H LYS -2 -12.968 -6.803 5.495 26 HA LYS -2 HA LYS -2 -15.574 -6.953 6.951 27 HB2 LYS -2 2HB LYS -2 -14.575 -8.790 8.224 28 HB3 LYS -2 1HB LYS -2 -14.457 -9.129 6.496 29 HG2 LYS -2 2HG LYS -2 -12.133 -8.186 6.529 30 HG3 LYS -2 1HG LYS -2 -12.264 -8.041 8.283 31 HD2 LYS -2 2HD LYS -2 -12.557 -10.620 6.716 32 HD3 LYS -2 1HD LYS -2 -11.129 -10.143 7.636 33 HE2 LYS -2 2HE LYS -2 -12.974 -9.816 9.555 34 HE3 LYS -2 1HE LYS -2 -13.791 -11.059 8.607 35 HZ1 LYS -2 3HZ LYS -2 -12.103 -11.713 10.456 36 HZ2 LYS -2 1HZ LYS -2 -10.949 -11.399 9.255 37 HZ3 LYS -2 2HZ LYS -2 -12.145 -12.576 8.995 38 H ALA -1 H ALA -1 -15.397 -6.618 9.337 39 HA ALA -1 HA ALA -1 -14.210 -4.167 10.023 40 HB1 ALA -1 1HB ALA -1 -15.183 -4.532 12.035 41 HB2 ALA -1 2HB ALA -1 -14.304 -6.042 12.273 42 HB3 ALA -1 3HB ALA -1 -15.794 -6.029 11.328 43 H GLY 1 H GLY 1 -12.056 -3.753 9.812 44 HA2 GLY 1 2HA GLY 1 -10.112 -5.881 10.529 45 HA3 GLY 1 1HA GLY 1 -9.734 -4.413 9.627 46 H SER 2 H SER 2 -9.108 -5.810 12.485 47 HA SER 2 HA SER 2 -9.670 -3.810 14.439 48 HB2 SER 2 2HB SER 2 -7.969 -4.885 15.788 49 HB3 SER 2 1HB SER 2 -8.844 -6.141 14.916 50 HG SER 2 HG SER 2 -6.238 -5.524 14.838 51 H ALA 3 H ALA 3 -7.226 -4.038 11.954 52 HA ALA 3 HA ALA 3 -5.704 -2.430 11.184 53 HB1 ALA 3 1HB ALA 3 -6.546 -0.342 11.247 54 HB2 ALA 3 2HB ALA 3 -6.364 -0.263 13.000 55 HB3 ALA 3 3HB ALA 3 -7.821 -0.964 12.295 56 H LYS 4 H LYS 4 -6.031 -3.130 14.575 57 HA LYS 4 HA LYS 4 -3.753 -1.774 15.592 58 HB2 LYS 4 2HB LYS 4 -5.449 -2.983 16.983 59 HB3 LYS 4 1HB LYS 4 -4.765 -4.510 16.424 60 HG2 LYS 4 2HG LYS 4 -2.560 -3.839 17.350 61 HG3 LYS 4 1HG LYS 4 -3.289 -2.355 17.963 62 HD2 LYS 4 2HD LYS 4 -4.906 -3.750 19.271 63 HD3 LYS 4 1HD LYS 4 -4.027 -5.186 18.747 64 HE2 LYS 4 2HE LYS 4 -1.973 -3.659 19.675 65 HE3 LYS 4 1HE LYS 4 -3.274 -3.141 20.749 66 HZ1 LYS 4 3HZ LYS 4 -3.489 -5.205 21.645 67 HZ2 LYS 4 1HZ LYS 4 -1.835 -5.256 21.270 68 HZ3 LYS 4 2HZ LYS 4 -2.960 -6.006 20.243 69 H LYS 5 H LYS 5 -3.999 -5.114 14.311 70 HA LYS 5 HA LYS 5 -1.175 -5.624 14.459 71 HB2 LYS 5 2HB LYS 5 -3.309 -6.847 12.681 72 HB3 LYS 5 1HB LYS 5 -1.675 -7.484 12.870 73 HG2 LYS 5 2HG LYS 5 -2.088 -7.698 15.324 74 HG3 LYS 5 1HG LYS 5 -3.752 -7.182 15.057 75 HD2 LYS 5 2HD LYS 5 -4.050 -9.099 13.483 76 HD3 LYS 5 1HD LYS 5 -2.423 -9.645 13.892 77 HE2 LYS 5 2HE LYS 5 -3.104 -10.528 15.860 78 HE3 LYS 5 1HE LYS 5 -4.063 -9.101 16.258 79 HZ1 LYS 5 3HZ LYS 5 -5.587 -10.843 15.997 80 HZ2 LYS 5 1HZ LYS 5 -4.841 -11.416 14.587 81 HZ3 LYS 5 2HZ LYS 5 -5.697 -9.950 14.558 82 H GLY 6 H GLY 6 -3.285 -4.425 11.868 83 HA2 GLY 6 2HA GLY 6 -1.312 -4.303 9.818 84 HA3 GLY 6 1HA GLY 6 -2.774 -3.320 9.868 85 H ALA 7 H ALA 7 -2.146 -2.051 12.416 86 HA ALA 7 HA ALA 7 -0.694 0.203 11.482 87 HB1 ALA 7 1HB ALA 7 -1.751 0.932 13.345 88 HB2 ALA 7 2HB ALA 7 -0.387 0.262 14.240 89 HB3 ALA 7 3HB ALA 7 -1.850 -0.698 14.014 90 H THR 8 H THR 8 0.378 -2.475 13.595 91 HA THR 8 HA THR 8 3.109 -1.491 13.684 92 HB THR 8 HB THR 8 3.595 -3.586 14.823 93 HG1 THR 8 1HG THR 8 2.547 -5.270 14.196 94 HG21 THR 8 3HG2 THR 8 1.903 -3.485 16.624 95 HG22 THR 8 1HG2 THR 8 0.865 -2.518 15.576 96 HG23 THR 8 2HG2 THR 8 2.414 -1.873 16.122 97 H LEU 9 H LEU 9 1.361 -3.938 11.777 98 HA LEU 9 HA LEU 9 3.618 -5.063 10.450 99 HB2 LEU 9 2HB LEU 9 1.247 -5.927 10.320 100 HB3 LEU 9 1HB LEU 9 0.877 -4.580 9.245 101 HG LEU 9 HG LEU 9 2.979 -5.461 7.914 102 HD11 LEU 9 1HD1 LEU 9 3.101 -7.952 8.052 103 HD12 LEU 9 2HD1 LEU 9 2.035 -7.895 9.455 104 HD13 LEU 9 3HD1 LEU 9 3.637 -7.161 9.534 105 HD21 LEU 9 3HD2 LEU 9 1.419 -7.020 6.664 106 HD22 LEU 9 1HD2 LEU 9 0.781 -5.397 6.927 107 HD23 LEU 9 2HD2 LEU 9 0.230 -6.733 7.936 108 H PHE 10 H PHE 10 1.616 -2.241 9.743 109 HA PHE 10 HA PHE 10 2.892 -1.483 7.292 110 HB2 PHE 10 2HB PHE 10 0.701 -0.589 8.137 111 HB3 PHE 10 1HB PHE 10 1.584 0.299 9.375 112 HD1 PHE 10 2HD PHE 10 1.044 -0.042 5.718 113 HD2 PHE 10 1HD PHE 10 2.792 2.298 8.867 114 HE1 PHE 10 2HE PHE 10 1.470 1.801 4.113 115 HE2 PHE 10 1HE PHE 10 3.208 4.139 7.263 116 HZ PHE 10 HZ PHE 10 2.558 3.893 4.893 117 H LYS 11 H LYS 11 3.414 -0.539 10.673 118 HA LYS 11 HA LYS 11 5.556 1.285 10.221 119 HB2 LYS 11 2HB LYS 11 4.228 0.977 12.365 120 HB3 LYS 11 1HB LYS 11 5.188 -0.473 12.656 121 HG2 LYS 11 2HG LYS 11 7.260 0.885 12.534 122 HG3 LYS 11 1HG LYS 11 6.281 2.335 12.309 123 HD2 LYS 11 2HD LYS 11 5.147 1.836 14.491 124 HD3 LYS 11 1HD LYS 11 6.282 0.508 14.727 125 HE2 LYS 11 2HE LYS 11 8.157 2.002 14.778 126 HE3 LYS 11 1HE LYS 11 7.171 3.357 14.227 127 HZ1 LYS 11 3HZ LYS 11 5.812 2.795 16.356 128 HZ2 LYS 11 1HZ LYS 11 7.227 3.722 16.471 129 HZ3 LYS 11 2HZ LYS 11 7.261 2.071 16.866 130 H THR 12 H THR 12 5.521 -2.213 10.763 131 HA THR 12 HA THR 12 8.385 -2.469 10.966 132 HB THR 12 HB THR 12 7.980 -4.866 10.813 133 HG1 THR 12 1HG THR 12 5.332 -4.127 10.123 134 HG21 THR 12 3HG2 THR 12 7.298 -4.660 12.943 135 HG22 THR 12 1HG2 THR 12 5.639 -4.529 12.358 136 HG23 THR 12 2HG2 THR 12 6.606 -3.074 12.603 137 H ARG 13 H ARG 13 6.176 -2.513 8.188 138 HA ARG 13 HA ARG 13 8.580 -2.601 6.461 139 HB2 ARG 13 2HB ARG 13 6.277 -4.551 6.256 140 HB3 ARG 13 1HB ARG 13 7.502 -4.340 5.007 141 HG2 ARG 13 2HG ARG 13 9.258 -4.887 6.704 142 HG3 ARG 13 1HG ARG 13 7.977 -5.219 7.870 143 HD2 ARG 13 2HD ARG 13 8.625 -7.328 6.896 144 HD3 ARG 13 1HD ARG 13 7.043 -6.905 6.240 145 HE ARG 13 HE ARG 13 8.044 -6.705 4.112 146 HH11 ARG 13 1HH2 ARG 13 10.368 -6.641 6.659 147 HH12 ARG 13 2HH2 ARG 13 11.733 -6.685 5.593 148 HH21 ARG 13 1HH1 ARG 13 9.813 -6.766 2.707 149 HH22 ARG 13 2HH1 ARG 13 11.419 -6.757 3.357 150 H CYS 14 H CYS 14 7.167 -0.277 6.731 151 HA CYS 14 HA CYS 14 6.290 0.198 4.039 152 HB2 CYS 14 2HB CYS 14 4.336 -1.090 5.268 153 HB3 CYS 14 1HB CYS 14 4.001 0.507 5.932 154 H LEU 15 H LEU 15 5.688 1.366 7.370 155 HA LEU 15 HA LEU 15 5.407 4.103 6.723 156 HB2 LEU 15 2HB LEU 15 4.957 3.106 8.972 157 HB3 LEU 15 1HB LEU 15 6.696 2.970 9.219 158 HG LEU 15 HG LEU 15 6.772 5.512 8.716 159 HD11 LEU 15 1HD1 LEU 15 4.609 6.634 9.443 160 HD12 LEU 15 2HD1 LEU 15 3.822 5.070 9.238 161 HD13 LEU 15 3HD1 LEU 15 4.561 5.876 7.853 162 HD21 LEU 15 3HD2 LEU 15 5.357 4.573 11.225 163 HD22 LEU 15 1HD2 LEU 15 6.349 6.022 11.053 164 HD23 LEU 15 2HD2 LEU 15 7.093 4.426 10.950 165 H GLN 16 H GLN 16 8.349 2.203 7.270 166 HA GLN 16 HA GLN 16 10.205 4.334 7.384 167 HB2 GLN 16 2HB GLN 16 10.521 1.574 6.167 168 HB3 GLN 16 1HB GLN 16 11.857 2.671 6.519 169 HG2 GLN 16 2HG GLN 16 11.245 2.681 8.897 170 HG3 GLN 16 1HG GLN 16 9.879 1.615 8.561 171 HE21 GLN 16 1HE2 GLN 16 11.932 0.793 10.358 172 HE22 GLN 16 2HE2 GLN 16 12.797 -0.484 9.649 173 H CYS 17 H CYS 17 8.643 2.816 4.599 174 HA CYS 17 HA CYS 17 10.201 4.562 2.770 175 HB2 CYS 17 2HB CYS 17 8.263 2.295 2.257 176 HB3 CYS 17 1HB CYS 17 9.048 3.234 0.987 177 H HIS 18 H HIS 18 6.810 3.857 3.640 178 HA HIS 18 HA HIS 18 5.994 6.268 2.089 179 HB2 HIS 18 2HB HIS 18 4.469 3.880 3.149 180 HB3 HIS 18 1HB HIS 18 3.662 5.311 2.495 181 HD1 HIS 18 1HD HIS 18 4.365 5.926 -0.072 182 HD2 HIS 18 2HD HIS 18 5.329 2.093 1.244 183 HE1 HIS 18 1HE HIS 18 4.776 4.532 -2.155 184 H THR 19 H THR 19 5.414 8.091 3.162 185 HA THR 19 HA THR 19 5.238 7.978 6.119 186 HB THR 19 HB THR 19 5.450 10.398 6.042 187 HG1 THR 19 1HG THR 19 4.873 9.951 3.333 188 HG21 THR 19 3HG2 THR 19 7.590 10.603 4.769 189 HG22 THR 19 1HG2 THR 19 7.280 9.018 4.061 190 HG23 THR 19 2HG2 THR 19 7.538 9.172 5.798 191 H VAL 20 H VAL 20 3.196 8.116 3.372 192 HA VAL 20 HA VAL 20 0.908 8.651 3.129 193 HB VAL 20 HB VAL 20 0.614 7.595 5.931 194 HG11 VAL 20 1HG1 VAL 20 -1.404 8.235 4.674 195 HG12 VAL 20 2HG1 VAL 20 -1.348 6.488 4.905 196 HG13 VAL 20 3HG1 VAL 20 -0.915 7.185 3.344 197 HG21 VAL 20 3HG2 VAL 20 0.764 5.299 4.906 198 HG22 VAL 20 1HG2 VAL 20 2.304 6.161 4.949 199 HG23 VAL 20 2HG2 VAL 20 1.395 6.052 3.441 200 H GLU 21 H GLU 21 2.483 10.850 4.178 201 HA GLU 21 HA GLU 21 0.645 12.046 6.194 202 HB2 GLU 21 2HB GLU 21 3.130 12.088 6.604 203 HB3 GLU 21 1HB GLU 21 3.294 13.124 5.185 204 HG2 GLU 21 2HG GLU 21 1.740 14.762 6.228 205 HG3 GLU 21 1HG GLU 21 1.660 13.742 7.665 206 H LYS 22 H LYS 22 -0.553 13.885 5.705 207 HA LYS 22 HA LYS 22 -1.041 14.419 2.887 208 HB2 LYS 22 2HB LYS 22 -2.887 14.526 4.470 209 HB3 LYS 22 1HB LYS 22 -2.053 15.766 5.405 210 HG2 LYS 22 2HG LYS 22 -2.208 17.344 3.588 211 HG3 LYS 22 1HG LYS 22 -2.814 16.103 2.499 212 HD2 LYS 22 2HD LYS 22 -4.711 17.401 3.231 213 HD3 LYS 22 1HD LYS 22 -4.799 15.835 4.038 214 HE2 LYS 22 2HE LYS 22 -5.205 17.879 5.518 215 HE3 LYS 22 1HE LYS 22 -3.988 16.744 6.095 216 HZ1 LYS 22 3HZ LYS 22 -2.333 18.204 5.750 217 HZ2 LYS 22 1HZ LYS 22 -3.572 19.359 5.862 218 HZ3 LYS 22 2HZ LYS 22 -3.028 18.843 4.337 219 H GLY 23 H GLY 23 -0.645 16.979 5.282 220 HA2 GLY 23 2HA GLY 23 0.455 18.874 3.542 221 HA3 GLY 23 1HA GLY 23 0.737 18.880 5.282 222 H GLY 24 H GLY 24 2.064 16.227 5.212 223 HA2 GLY 24 2HA GLY 24 4.750 17.119 4.847 224 HA3 GLY 24 1HA GLY 24 4.270 15.436 5.045 225 HA PRO 25 HA PRO 25 5.223 16.505 0.465 226 HB2 PRO 25 2HB PRO 25 7.912 16.225 0.273 227 HB3 PRO 25 1HB PRO 25 7.158 17.768 0.717 228 HG2 PRO 25 2HG PRO 25 8.426 15.713 2.466 229 HG3 PRO 25 1HG PRO 25 8.555 17.479 2.526 230 HD2 PRO 25 2HD PRO 25 6.899 16.042 4.178 231 HD3 PRO 25 1HD PRO 25 6.579 17.722 3.689 232 H HIS 26 H HIS 26 7.294 14.905 -0.721 233 HA HIS 26 HA HIS 26 6.239 12.188 -0.082 234 HB2 HIS 26 2HB HIS 26 7.586 13.308 -2.556 235 HB3 HIS 26 1HB HIS 26 7.198 11.601 -2.346 236 HD1 HIS 26 1HD HIS 26 4.733 10.900 -2.530 237 HD2 HIS 26 2HD HIS 26 5.289 15.019 -2.870 238 HE1 HIS 26 1HE HIS 26 2.534 11.851 -3.355 239 HE2 HIS 26 2HE HIS 26 2.858 14.362 -3.553 240 H LYS 27 H LYS 27 7.632 10.634 0.684 241 HA LYS 27 HA LYS 27 10.556 11.252 0.639 242 HB2 LYS 27 2HB LYS 27 9.551 11.715 2.890 243 HB3 LYS 27 1HB LYS 27 9.039 10.030 2.966 244 HG2 LYS 27 2HG LYS 27 11.081 10.014 4.132 245 HG3 LYS 27 1HG LYS 27 11.546 9.483 2.519 246 HD2 LYS 27 2HD LYS 27 12.341 11.692 1.943 247 HD3 LYS 27 1HD LYS 27 11.680 12.370 3.431 248 HE2 LYS 27 2HE LYS 27 13.209 10.847 4.721 249 HE3 LYS 27 1HE LYS 27 13.945 10.369 3.190 250 HZ1 LYS 27 3HZ LYS 27 14.179 12.859 4.664 251 HZ2 LYS 27 1HZ LYS 27 14.032 13.019 2.981 252 HZ3 LYS 27 2HZ LYS 27 15.294 12.090 3.637 253 H VAL 28 H VAL 28 11.795 9.544 -0.039 254 HA VAL 28 HA VAL 28 12.273 7.421 -0.920 255 HB VAL 28 HB VAL 28 10.398 6.638 1.333 256 HG11 VAL 28 1HG1 VAL 28 10.477 4.720 -0.011 257 HG12 VAL 28 2HG1 VAL 28 11.834 4.465 1.086 258 HG13 VAL 28 3HG1 VAL 28 12.122 5.051 -0.553 259 HG21 VAL 28 3HG2 VAL 28 13.133 7.594 1.217 260 HG22 VAL 28 1HG2 VAL 28 13.077 5.961 1.882 261 HG23 VAL 28 2HG2 VAL 28 12.138 7.251 2.633 262 H GLY 29 H GLY 29 9.030 6.485 0.101 263 HA2 GLY 29 2HA GLY 29 8.341 6.105 -2.777 264 HA3 GLY 29 1HA GLY 29 7.589 5.239 -1.436 265 HA PRO 30 HA PRO 30 5.301 9.276 -2.844 266 HB2 PRO 30 2HB PRO 30 3.102 7.899 -3.868 267 HB3 PRO 30 1HB PRO 30 4.428 8.579 -4.832 268 HG2 PRO 30 2HG PRO 30 4.007 5.784 -3.910 269 HG3 PRO 30 1HG PRO 30 4.632 6.388 -5.454 270 HD2 PRO 30 2HD PRO 30 6.301 5.405 -3.582 271 HD3 PRO 30 1HD PRO 30 6.769 6.797 -4.586 272 H ASN 31 H ASN 31 3.606 10.127 -1.575 273 HA ASN 31 HA ASN 31 2.970 8.685 0.859 274 HB2 ASN 31 2HB ASN 31 1.739 11.242 -0.208 275 HB3 ASN 31 1HB ASN 31 1.708 10.678 1.462 276 HD21 ASN 31 1HD2 ASN 31 4.385 9.841 1.812 277 HD22 ASN 31 2HD2 ASN 31 5.415 11.180 1.650 278 H LEU 32 H LEU 32 1.136 7.537 1.340 279 HA LEU 32 HA LEU 32 -0.836 7.154 -0.847 280 HB2 LEU 32 2HB LEU 32 -0.282 5.608 1.700 281 HB3 LEU 32 1HB LEU 32 -1.621 5.241 0.617 282 HG LEU 32 HG LEU 32 0.268 5.211 -1.229 283 HD11 LEU 32 1HD1 LEU 32 1.778 4.710 1.351 284 HD12 LEU 32 2HD1 LEU 32 2.110 5.959 0.150 285 HD13 LEU 32 3HD1 LEU 32 2.382 4.262 -0.243 286 HD21 LEU 32 3HD2 LEU 32 -0.778 3.176 -1.024 287 HD22 LEU 32 1HD2 LEU 32 -0.626 3.157 0.733 288 HD23 LEU 32 2HD2 LEU 32 0.758 2.738 -0.275 289 H HIS 33 H HIS 33 -0.572 9.362 1.423 290 HA HIS 33 HA HIS 33 -2.782 9.231 3.141 291 HB2 HIS 33 2HB HIS 33 -2.681 11.649 3.258 292 HB3 HIS 33 1HB HIS 33 -1.035 11.033 3.124 293 HD1 HIS 33 1HD HIS 33 -0.033 11.029 0.583 294 HD2 HIS 33 2HD HIS 33 -3.365 13.449 1.255 295 HE1 HIS 33 1HE HIS 33 -0.139 12.662 -1.354 296 HE2 HIS 33 2HE HIS 33 -2.163 14.138 -0.954 297 H GLY 34 H GLY 34 -2.722 10.005 -0.302 298 HA2 GLY 34 2HA GLY 34 -5.705 9.919 -0.255 299 HA3 GLY 34 1HA GLY 34 -4.893 11.236 -1.100 300 H ILE 35 H ILE 35 -4.440 7.681 -0.950 301 HA ILE 35 HA ILE 35 -4.263 7.716 -3.929 302 HB ILE 35 HB ILE 35 -2.238 6.957 -2.625 303 HG12 ILE 35 2HG1 ILE 35 -3.434 4.712 -4.257 304 HG13 ILE 35 1HG1 ILE 35 -2.898 6.221 -5.000 305 HG21 ILE 35 1HG2 ILE 35 -2.307 4.813 -1.516 306 HG22 ILE 35 2HG2 ILE 35 -3.971 4.547 -2.028 307 HG23 ILE 35 3HG2 ILE 35 -3.603 5.802 -0.846 308 HD11 ILE 35 3HD1 ILE 35 -1.142 4.426 -4.994 309 HD12 ILE 35 1HD1 ILE 35 -1.150 4.491 -3.233 310 HD13 ILE 35 2HD1 ILE 35 -0.648 5.901 -4.164 311 H PHE 36 H PHE 36 -6.446 7.048 -1.569 312 HA PHE 36 HA PHE 36 -7.397 4.466 -2.580 313 HB2 PHE 36 2HB PHE 36 -8.398 6.436 -0.530 314 HB3 PHE 36 1HB PHE 36 -9.396 5.081 -1.052 315 HD1 PHE 36 2HD PHE 36 -8.588 2.741 -0.751 316 HD2 PHE 36 1HD PHE 36 -6.496 6.107 0.909 317 HE1 PHE 36 2HE PHE 36 -7.347 1.221 0.764 318 HE2 PHE 36 1HE PHE 36 -5.255 4.583 2.426 319 HZ PHE 36 HZ PHE 36 -5.684 2.143 2.350 320 H GLY 37 H GLY 37 -8.825 4.203 -4.222 321 HA2 GLY 37 2HA GLY 37 -10.454 4.709 -5.836 322 HA3 GLY 37 1HA GLY 37 -10.931 6.075 -4.826 323 H ARG 38 H ARG 38 -7.646 5.627 -6.005 324 HA ARG 38 HA ARG 38 -8.084 7.683 -8.093 325 HB2 ARG 38 2HB ARG 38 -6.145 8.003 -5.789 326 HB3 ARG 38 1HB ARG 38 -6.172 9.033 -7.220 327 HG2 ARG 38 2HG ARG 38 -8.563 9.585 -6.715 328 HG3 ARG 38 1HG ARG 38 -8.418 8.664 -5.217 329 HD2 ARG 38 2HD ARG 38 -6.480 10.157 -4.588 330 HD3 ARG 38 1HD ARG 38 -6.870 11.151 -5.992 331 HE ARG 38 HE ARG 38 -9.267 10.944 -4.586 332 HH11 ARG 38 1HH2 ARG 38 -6.027 11.946 -3.968 333 HH12 ARG 38 2HH2 ARG 38 -6.476 13.122 -2.779 334 HH21 ARG 38 1HH1 ARG 38 -9.873 12.474 -3.036 335 HH22 ARG 38 2HH1 ARG 38 -8.654 13.421 -2.251 336 H HIS 39 H HIS 39 -6.003 8.018 -9.375 337 HA HIS 39 HA HIS 39 -4.763 5.367 -9.816 338 HB2 HIS 39 2HB HIS 39 -4.673 7.927 -11.442 339 HB3 HIS 39 1HB HIS 39 -3.914 6.409 -11.917 340 HD1 HIS 39 1HD HIS 39 -7.245 8.089 -11.602 341 HD2 HIS 39 2HD HIS 39 -5.753 4.348 -12.693 342 HE1 HIS 39 1HE HIS 39 -9.166 6.836 -12.682 343 HE2 HIS 39 2HE HIS 39 -8.269 4.559 -13.348 344 H SER 40 H SER 40 -2.411 5.202 -10.032 345 HA SER 40 HA SER 40 -0.968 6.431 -7.924 346 HB2 SER 40 2HB SER 40 0.988 5.412 -8.882 347 HB3 SER 40 1HB SER 40 -0.355 4.315 -9.194 348 HG SER 40 HG SER 40 0.298 6.330 -11.044 349 H GLY 41 H GLY 41 -1.210 7.287 -11.354 350 HA2 GLY 41 2HA GLY 41 0.754 9.376 -11.303 351 HA3 GLY 41 1HA GLY 41 -0.529 9.221 -12.501 352 H GLN 42 H GLN 42 -2.683 9.309 -10.512 353 HA GLN 42 HA GLN 42 -3.202 12.091 -10.495 354 HB2 GLN 42 2HB GLN 42 -4.907 10.263 -10.218 355 HB3 GLN 42 1HB GLN 42 -4.347 10.065 -8.556 356 HG2 GLN 42 2HG GLN 42 -4.924 12.383 -8.045 357 HG3 GLN 42 1HG GLN 42 -5.392 12.661 -9.723 358 HE21 GLN 42 1HE2 GLN 42 -7.349 13.119 -7.804 359 HE22 GLN 42 2HE2 GLN 42 -8.514 11.885 -7.842 360 H ALA 43 H ALA 43 -1.682 10.061 -8.001 361 HA ALA 43 HA ALA 43 -1.740 11.955 -5.885 362 HB1 ALA 43 1HB ALA 43 -0.210 9.527 -6.528 363 HB2 ALA 43 2HB ALA 43 -0.887 10.055 -4.987 364 HB3 ALA 43 3HB ALA 43 0.675 10.678 -5.523 365 H GLU 44 H GLU 44 0.378 11.699 -8.688 366 HA GLU 44 HA GLU 44 2.199 13.050 -9.351 367 HB2 GLU 44 2HB GLU 44 0.309 15.125 -8.195 368 HB3 GLU 44 1HB GLU 44 1.642 15.464 -9.299 369 HG2 GLU 44 2HG GLU 44 -0.715 13.655 -9.913 370 HG3 GLU 44 1HG GLU 44 -0.523 15.307 -10.499 371 H GLY 45 H GLY 45 3.294 15.365 -8.312 372 HA2 GLY 45 2HA GLY 45 4.522 16.251 -6.494 373 HA3 GLY 45 1HA GLY 45 3.729 15.086 -5.435 374 H TYR 46 H TYR 46 4.403 12.707 -6.801 375 HA TYR 46 HA TYR 46 7.389 12.698 -6.575 376 HB2 TYR 46 2HB TYR 46 6.234 11.621 -4.626 377 HB3 TYR 46 1HB TYR 46 5.500 10.474 -5.748 378 HD1 TYR 46 1HD TYR 46 8.747 11.725 -4.428 379 HD2 TYR 46 2HD TYR 46 6.728 8.619 -6.602 380 HE1 TYR 46 1HE TYR 46 10.801 10.336 -4.351 381 HE2 TYR 46 2HE TYR 46 8.786 7.231 -6.529 382 HH TYR 46 HH TYR 46 10.970 7.287 -4.679 383 H SER 47 H SER 47 8.461 11.686 -8.245 384 HA SER 47 HA SER 47 6.994 11.025 -10.641 385 HB2 SER 47 2HB SER 47 9.130 10.543 -11.607 386 HB3 SER 47 1HB SER 47 9.395 11.881 -10.494 387 HG SER 47 HG SER 47 9.748 9.138 -9.845 388 H TYR 48 H TYR 48 7.015 8.884 -11.696 389 HA TYR 48 HA TYR 48 7.001 6.657 -9.697 390 HB2 TYR 48 2HB TYR 48 5.239 7.109 -12.118 391 HB3 TYR 48 1HB TYR 48 5.277 5.605 -11.199 392 HD1 TYR 48 2HD TYR 48 4.578 5.569 -8.815 393 HD2 TYR 48 1HD TYR 48 4.162 9.084 -11.250 394 HE1 TYR 48 2HE TYR 48 3.014 6.536 -7.151 395 HE2 TYR 48 1HE TYR 48 2.598 10.050 -9.586 396 HH TYR 48 HH TYR 48 1.439 8.167 -6.844 397 H THR 49 H THR 49 7.893 4.674 -10.352 398 HA THR 49 HA THR 49 10.008 4.826 -12.309 399 HB THR 49 HB THR 49 8.812 2.367 -10.994 400 HG1 THR 49 1HG THR 49 10.605 4.338 -10.165 401 HG21 THR 49 3HG2 THR 49 11.471 1.892 -11.375 402 HG22 THR 49 1HG2 THR 49 11.100 2.873 -12.793 403 HG23 THR 49 2HG2 THR 49 10.209 1.381 -12.496 404 H ASP 50 H ASP 50 10.141 3.667 -14.312 405 HA ASP 50 HA ASP 50 7.983 3.859 -16.051 406 HB2 ASP 50 2HB ASP 50 10.275 1.896 -16.086 407 HB3 ASP 50 1HB ASP 50 9.165 2.115 -17.435 408 H ALA 51 H ALA 51 8.746 1.218 -13.843 409 HA ALA 51 HA ALA 51 7.117 -0.828 -14.814 410 HB1 ALA 51 1HB ALA 51 8.166 -1.560 -12.922 411 HB2 ALA 51 2HB ALA 51 6.655 -1.071 -12.152 412 HB3 ALA 51 3HB ALA 51 8.047 0.011 -12.130 413 H ASN 52 H ASN 52 5.967 1.369 -12.211 414 HA ASN 52 HA ASN 52 3.238 0.700 -12.504 415 HB2 ASN 52 2HB ASN 52 4.109 1.952 -10.569 416 HB3 ASN 52 1HB ASN 52 4.410 3.348 -11.605 417 HD21 ASN 52 1HD2 ASN 52 1.745 1.269 -10.351 418 HD22 ASN 52 2HD2 ASN 52 0.538 2.451 -10.543 419 H ILE 53 H ILE 53 5.098 3.297 -14.115 420 HA ILE 53 HA ILE 53 2.895 4.498 -15.444 421 HB ILE 53 HB ILE 53 5.770 4.247 -16.367 422 HG12 ILE 53 2HG1 ILE 53 4.379 6.460 -14.823 423 HG13 ILE 53 1HG1 ILE 53 5.452 5.262 -14.098 424 HG21 ILE 53 1HG2 ILE 53 3.426 5.374 -17.583 425 HG22 ILE 53 2HG2 ILE 53 5.077 5.338 -18.199 426 HG23 ILE 53 3HG2 ILE 53 4.549 6.670 -17.172 427 HD11 ILE 53 3HD1 ILE 53 6.666 7.357 -14.603 428 HD12 ILE 53 1HD1 ILE 53 6.223 7.199 -16.302 429 HD13 ILE 53 2HD1 ILE 53 7.292 6.011 -15.555 430 H LYS 54 H LYS 54 5.051 1.839 -16.462 431 HA LYS 54 HA LYS 54 3.932 1.452 -19.049 432 HB2 LYS 54 2HB LYS 54 6.025 0.351 -18.191 433 HB3 LYS 54 1HB LYS 54 5.011 -0.702 -17.204 434 HG2 LYS 54 2HG LYS 54 3.858 -1.490 -19.255 435 HG3 LYS 54 1HG LYS 54 4.930 -0.478 -20.227 436 HD2 LYS 54 2HD LYS 54 6.884 -1.709 -19.238 437 HD3 LYS 54 1HD LYS 54 5.738 -2.799 -18.454 438 HE2 LYS 54 2HE LYS 54 5.051 -2.533 -21.239 439 HE3 LYS 54 1HE LYS 54 6.751 -2.980 -21.092 440 HZ1 LYS 54 3HZ LYS 54 5.656 -5.001 -21.044 441 HZ2 LYS 54 1HZ LYS 54 4.371 -4.414 -20.105 442 HZ3 LYS 54 2HZ LYS 54 5.891 -4.674 -19.393 443 H LYS 55 H LYS 55 2.955 0.297 -15.862 444 HA LYS 55 HA LYS 55 0.388 -0.641 -17.077 445 HB2 LYS 55 2HB LYS 55 1.784 -2.564 -16.361 446 HB3 LYS 55 1HB LYS 55 1.874 -1.882 -14.737 447 HG2 LYS 55 2HG LYS 55 -0.588 -2.014 -14.549 448 HG3 LYS 55 1HG LYS 55 -0.668 -2.727 -16.163 449 HD2 LYS 55 2HD LYS 55 0.817 -4.581 -15.352 450 HD3 LYS 55 1HD LYS 55 0.698 -3.903 -13.726 451 HE2 LYS 55 2HE LYS 55 -1.949 -4.077 -14.733 452 HE3 LYS 55 1HE LYS 55 -1.166 -5.617 -15.088 453 HZ1 LYS 55 3HZ LYS 55 -1.559 -6.125 -12.975 454 HZ2 LYS 55 1HZ LYS 55 -1.977 -4.531 -12.573 455 HZ3 LYS 55 2HZ LYS 55 -0.347 -5.008 -12.557 456 H ASN 56 H ASN 56 -1.116 0.828 -16.409 457 HA ASN 56 HA ASN 56 -0.772 2.088 -13.741 458 HB2 ASN 56 2HB ASN 56 -1.275 3.420 -15.898 459 HB3 ASN 56 1HB ASN 56 -2.913 2.781 -15.752 460 HD21 ASN 56 1HD2 ASN 56 -1.796 2.962 -12.627 461 HD22 ASN 56 2HD2 ASN 56 -2.346 4.513 -12.215 462 H VAL 57 H VAL 57 -2.132 1.630 -12.067 463 HA VAL 57 HA VAL 57 -4.527 -0.059 -12.644 464 HB VAL 57 HB VAL 57 -2.669 -1.449 -11.762 465 HG11 VAL 57 1HG1 VAL 57 -1.933 0.721 -10.355 466 HG12 VAL 57 2HG1 VAL 57 -1.497 -0.912 -9.856 467 HG13 VAL 57 3HG1 VAL 57 -2.875 -0.099 -9.112 468 HG21 VAL 57 3HG2 VAL 57 -4.664 -1.123 -9.531 469 HG22 VAL 57 1HG2 VAL 57 -3.998 -2.607 -10.212 470 HG23 VAL 57 2HG2 VAL 57 -5.199 -1.683 -11.116 471 H LEU 58 H LEU 58 -6.323 0.357 -11.312 472 HA LEU 58 HA LEU 58 -6.327 2.974 -10.000 473 HB2 LEU 58 2HB LEU 58 -8.295 2.207 -11.285 474 HB3 LEU 58 1HB LEU 58 -8.486 0.845 -10.180 475 HG LEU 58 HG LEU 58 -8.779 2.450 -8.297 476 HD11 LEU 58 1HD1 LEU 58 -7.852 4.487 -8.728 477 HD12 LEU 58 2HD1 LEU 58 -9.433 4.841 -9.428 478 HD13 LEU 58 3HD1 LEU 58 -8.098 4.341 -10.468 479 HD21 LEU 58 3HD2 LEU 58 -10.574 2.158 -10.610 480 HD22 LEU 58 1HD2 LEU 58 -10.929 3.565 -9.610 481 HD23 LEU 58 2HD2 LEU 58 -10.911 1.955 -8.892 482 H TRP 59 H TRP 59 -6.117 3.314 -7.816 483 HA TRP 59 HA TRP 59 -5.643 0.911 -6.150 484 HB2 TRP 59 2HB TRP 59 -5.145 3.856 -5.653 485 HB3 TRP 59 1HB TRP 59 -4.817 2.589 -4.470 486 HD1 TRP 59 HD TRP 59 -3.328 4.329 -7.364 487 HE1 TRP 59 1HE TRP 59 -1.140 3.177 -8.094 488 HE3 TRP 59 3HE TRP 59 -3.672 0.018 -4.666 489 HZ2 TRP 59 2HZ TRP 59 0.278 0.744 -7.595 490 HZ3 TRP 59 3HZ TRP 59 -1.890 -1.696 -4.806 491 HH2 TRP 59 HH TRP 59 0.082 -1.340 -6.264 492 H ASP 60 H ASP 60 -7.157 0.167 -4.842 493 HA ASP 60 HA ASP 60 -9.108 1.979 -3.563 494 HB2 ASP 60 2HB ASP 60 -10.116 1.161 -5.747 495 HB3 ASP 60 1HB ASP 60 -10.018 -0.476 -5.094 496 H GLU 61 H GLU 61 -10.290 0.744 -1.794 497 HA GLU 61 HA GLU 61 -8.510 -0.672 -0.145 498 HB2 GLU 61 2HB GLU 61 -11.534 -0.913 -0.254 499 HB3 GLU 61 1HB GLU 61 -10.520 -1.435 1.093 500 HG2 GLU 61 2HG GLU 61 -9.694 0.888 1.353 501 HG3 GLU 61 1HG GLU 61 -10.756 1.401 0.040 502 H ASN 62 H ASN 62 -10.832 -1.948 -2.522 503 HA ASN 62 HA ASN 62 -10.323 -4.724 -1.937 504 HB2 ASN 62 2HB ASN 62 -12.325 -3.976 -3.167 505 HB3 ASN 62 1HB ASN 62 -11.304 -3.425 -4.496 506 HD21 ASN 62 1HD2 ASN 62 -10.369 -5.026 -5.903 507 HD22 ASN 62 2HD2 ASN 62 -10.809 -6.666 -5.828 508 H ASN 63 H ASN 63 -9.066 -2.545 -4.473 509 HA ASN 63 HA ASN 63 -7.366 -4.456 -5.714 510 HB2 ASN 63 2HB ASN 63 -8.028 -2.184 -6.610 511 HB3 ASN 63 1HB ASN 63 -6.823 -1.489 -5.523 512 HD21 ASN 63 1HD2 ASN 63 -4.818 -1.210 -6.496 513 HD22 ASN 63 2HD2 ASN 63 -4.206 -2.154 -7.767 514 H MET 64 H MET 64 -6.758 -2.259 -2.986 515 HA MET 64 HA MET 64 -3.958 -2.712 -2.799 516 HB2 MET 64 2HB MET 64 -6.001 -2.070 -0.659 517 HB3 MET 64 1HB MET 64 -4.261 -2.108 -0.362 518 HG2 MET 64 2HG MET 64 -3.969 -0.450 -2.221 519 HG3 MET 64 1HG MET 64 -5.722 -0.336 -2.334 520 HE1 MET 64 3HE MET 64 -5.242 1.981 -2.309 521 HE2 MET 64 1HE MET 64 -3.684 2.337 -1.550 522 HE3 MET 64 2HE MET 64 -5.171 2.994 -0.868 523 H SER 65 H SER 65 -6.690 -4.585 -1.507 524 HA SER 65 HA SER 65 -5.138 -6.372 0.091 525 HB2 SER 65 2HB SER 65 -7.050 -7.866 -0.015 526 HB3 SER 65 1HB SER 65 -7.649 -6.214 0.104 527 HG SER 65 HG SER 65 -8.101 -8.017 -1.800 528 H GLU 66 H GLU 66 -6.022 -6.443 -3.350 529 HA GLU 66 HA GLU 66 -4.819 -9.005 -3.893 530 HB2 GLU 66 2HB GLU 66 -6.452 -7.845 -5.406 531 HB3 GLU 66 1HB GLU 66 -5.193 -6.677 -5.802 532 HG2 GLU 66 2HG GLU 66 -3.745 -8.552 -6.586 533 HG3 GLU 66 1HG GLU 66 -5.077 -9.668 -6.283 534 H HIS 67 H HIS 67 -3.606 -5.692 -3.837 535 HA HIS 67 HA HIS 67 -1.092 -6.143 -5.086 536 HB2 HIS 67 2HB HIS 67 -2.158 -3.916 -4.465 537 HB3 HIS 67 1HB HIS 67 -1.603 -4.210 -2.817 538 HD1 HIS 67 1HD HIS 67 -0.086 -4.232 -6.321 539 HD2 HIS 67 2HD HIS 67 0.950 -3.215 -2.409 540 HE1 HIS 67 1HE HIS 67 2.263 -3.289 -6.421 541 HE2 HIS 67 2HE HIS 67 2.893 -2.674 -4.051 542 H LEU 68 H LEU 68 -2.037 -6.303 -1.657 543 HA LEU 68 HA LEU 68 0.558 -6.962 -0.667 544 HB2 LEU 68 2HB LEU 68 -2.134 -7.737 0.495 545 HB3 LEU 68 1HB LEU 68 -0.601 -7.660 1.360 546 HG LEU 68 HG LEU 68 -2.089 -5.343 0.103 547 HD11 LEU 68 1HD1 LEU 68 -1.735 -4.587 2.615 548 HD12 LEU 68 2HD1 LEU 68 -1.625 -6.326 2.892 549 HD13 LEU 68 3HD1 LEU 68 -3.083 -5.637 2.175 550 HD21 LEU 68 3HD2 LEU 68 0.708 -5.601 1.174 551 HD22 LEU 68 1HD2 LEU 68 -0.154 -4.072 1.327 552 HD23 LEU 68 2HD2 LEU 68 0.146 -4.757 -0.269 553 H THR 69 H THR 69 -1.915 -8.916 -2.205 554 HA THR 69 HA THR 69 -0.587 -11.410 -1.361 555 HB THR 69 HB THR 69 -2.749 -11.095 -3.460 556 HG1 THR 69 1HG THR 69 -4.120 -11.621 -1.615 557 HG21 THR 69 3HG2 THR 69 -1.686 -13.277 -3.432 558 HG22 THR 69 1HG2 THR 69 -3.282 -13.423 -2.696 559 HG23 THR 69 2HG2 THR 69 -1.842 -13.372 -1.677 560 H ASN 70 H ASN 70 1.088 -12.287 -2.487 561 HA ASN 70 HA ASN 70 2.780 -12.388 -4.137 562 HB2 ASN 70 2HB ASN 70 0.203 -12.593 -5.718 563 HB3 ASN 70 1HB ASN 70 1.795 -12.906 -6.413 564 HD21 ASN 70 1HD2 ASN 70 0.743 -13.745 -3.094 565 HD22 ASN 70 2HD2 ASN 70 0.899 -15.423 -3.299 566 HA PRO 71 HA PRO 71 2.016 -7.827 -5.243 567 HB2 PRO 71 2HB PRO 71 4.321 -6.946 -3.979 568 HB3 PRO 71 1HB PRO 71 2.700 -6.923 -3.265 569 HG2 PRO 71 2HG PRO 71 4.921 -8.848 -2.859 570 HG3 PRO 71 1HG PRO 71 3.720 -8.244 -1.706 571 HD2 PRO 71 2HD PRO 71 3.554 -10.724 -2.815 572 HD3 PRO 71 1HD PRO 71 2.117 -9.783 -2.360 573 H ALA 72 H ALA 72 4.720 -10.047 -5.464 574 HA ALA 72 HA ALA 72 6.448 -8.492 -7.110 575 HB1 ALA 72 1HB ALA 72 6.416 -11.299 -7.871 576 HB2 ALA 72 2HB ALA 72 6.410 -11.111 -6.117 577 HB3 ALA 72 3HB ALA 72 7.691 -10.376 -7.079 578 H LYS 73 H LYS 73 3.883 -10.810 -8.036 579 HA LYS 73 HA LYS 73 4.148 -10.374 -10.857 580 HB2 LYS 73 2HB LYS 73 1.754 -11.269 -9.218 581 HB3 LYS 73 1HB LYS 73 1.848 -11.350 -10.978 582 HG2 LYS 73 2HG LYS 73 3.887 -12.777 -10.763 583 HG3 LYS 73 1HG LYS 73 3.669 -12.769 -9.013 584 HD2 LYS 73 2HD LYS 73 1.395 -13.746 -9.330 585 HD3 LYS 73 1HD LYS 73 1.714 -13.849 -11.061 586 HE2 LYS 73 2HE LYS 73 2.486 -15.932 -10.542 587 HE3 LYS 73 1HE LYS 73 3.943 -15.060 -10.069 588 HZ1 LYS 73 3HZ LYS 73 2.426 -14.832 -7.871 589 HZ2 LYS 73 1HZ LYS 73 3.591 -16.042 -8.103 590 HZ3 LYS 73 2HZ LYS 73 1.955 -16.366 -8.428 591 H TYR 74 H TYR 74 2.435 -8.650 -8.323 592 HA TYR 74 HA TYR 74 0.595 -7.138 -9.812 593 HB2 TYR 74 2HB TYR 74 1.000 -7.134 -7.285 594 HB3 TYR 74 1HB TYR 74 2.312 -6.001 -7.593 595 HD1 TYR 74 2HD TYR 74 1.817 -3.785 -8.659 596 HD2 TYR 74 1HD TYR 74 -1.291 -6.444 -7.368 597 HE1 TYR 74 2HE TYR 74 0.206 -1.910 -8.701 598 HE2 TYR 74 1HE TYR 74 -2.912 -4.567 -7.412 599 HH TYR 74 HH TYR 74 -1.870 -1.273 -7.809 600 H ILE 75 H ILE 75 4.055 -6.459 -9.210 601 HA ILE 75 HA ILE 75 4.086 -4.876 -11.721 602 HB ILE 75 HB ILE 75 5.692 -3.261 -10.444 603 HG12 ILE 75 2HG1 ILE 75 3.981 -3.897 -8.072 604 HG13 ILE 75 1HG1 ILE 75 5.398 -4.901 -8.373 605 HG21 ILE 75 1HG2 ILE 75 3.346 -2.267 -9.396 606 HG22 ILE 75 2HG2 ILE 75 2.768 -3.337 -10.673 607 HG23 ILE 75 3HG2 ILE 75 3.895 -2.038 -11.054 608 HD11 ILE 75 3HD1 ILE 75 5.720 -1.935 -8.539 609 HD12 ILE 75 1HD1 ILE 75 6.877 -3.160 -8.021 610 HD13 ILE 75 2HD1 ILE 75 5.576 -2.664 -6.939 611 HA PRO 76 HA PRO 76 7.785 -7.077 -12.703 612 HB2 PRO 76 2HB PRO 76 9.181 -4.457 -12.942 613 HB3 PRO 76 1HB PRO 76 9.067 -5.786 -14.107 614 HG2 PRO 76 2HG PRO 76 7.650 -3.491 -14.318 615 HG3 PRO 76 1HG PRO 76 7.104 -5.047 -14.961 616 HD2 PRO 76 2HD PRO 76 6.050 -3.519 -12.678 617 HD3 PRO 76 1HD PRO 76 5.306 -4.850 -13.586 618 H GLY 77 H GLY 77 7.537 -5.001 -10.030 619 HA2 GLY 77 2HA GLY 77 8.598 -5.281 -7.921 620 HA3 GLY 77 1HA GLY 77 9.732 -6.402 -8.673 621 H THR 78 H THR 78 8.904 -3.018 -9.443 622 HA THR 78 HA THR 78 11.533 -2.244 -10.143 623 HB THR 78 HB THR 78 9.603 -0.864 -10.708 624 HG1 THR 78 1HG THR 78 10.515 1.093 -9.318 625 HG21 THR 78 3HG2 THR 78 7.988 -0.495 -9.194 626 HG22 THR 78 1HG2 THR 78 9.114 0.455 -8.223 627 HG23 THR 78 2HG2 THR 78 8.969 -1.282 -7.956 628 H LYS 79 H LYS 79 10.818 0.023 -7.832 629 HA LYS 79 HA LYS 79 13.006 -0.957 -6.115 630 HB2 LYS 79 2HB LYS 79 11.458 1.643 -6.155 631 HB3 LYS 79 1HB LYS 79 12.794 1.302 -5.056 632 HG2 LYS 79 2HG LYS 79 14.212 0.830 -7.107 633 HG3 LYS 79 1HG LYS 79 12.883 1.464 -8.079 634 HD2 LYS 79 2HD LYS 79 14.272 2.988 -5.855 635 HD3 LYS 79 1HD LYS 79 14.601 3.201 -7.574 636 HE2 LYS 79 2HE LYS 79 12.019 3.589 -7.759 637 HE3 LYS 79 1HE LYS 79 12.118 3.901 -6.026 638 HZ1 LYS 79 3HZ LYS 79 14.025 5.215 -7.831 639 HZ2 LYS 79 1HZ LYS 79 13.422 5.739 -6.335 640 HZ3 LYS 79 2HZ LYS 79 12.442 5.823 -7.721 641 H MET 80 H MET 80 9.770 -1.501 -6.219 642 HA MET 80 HA MET 80 9.080 -1.111 -3.416 643 HB2 MET 80 2HB MET 80 7.803 -2.357 -5.811 644 HB3 MET 80 1HB MET 80 7.247 -2.895 -4.227 645 HG2 MET 80 2HG MET 80 7.538 0.047 -4.643 646 HG3 MET 80 1HG MET 80 6.184 -0.753 -5.442 647 HE1 MET 80 3HE MET 80 4.989 -2.863 -3.909 648 HE2 MET 80 1HE MET 80 4.106 -1.419 -4.424 649 HE3 MET 80 2HE MET 80 3.919 -2.032 -2.783 650 H ALA 81 H ALA 81 9.903 -2.356 -1.816 651 HA ALA 81 HA ALA 81 10.773 -5.137 -2.490 652 HB1 ALA 81 1HB ALA 81 12.381 -3.285 -1.534 653 HB2 ALA 81 2HB ALA 81 12.478 -4.937 -0.922 654 HB3 ALA 81 3HB ALA 81 11.620 -3.703 0.001 655 H PHE 82 H PHE 82 8.008 -4.354 -1.781 656 HA PHE 82 HA PHE 82 7.674 -5.340 0.978 657 HB2 PHE 82 2HB PHE 82 6.234 -3.506 0.016 658 HB3 PHE 82 1HB PHE 82 5.531 -4.705 -1.070 659 HD1 PHE 82 1HD PHE 82 5.931 -3.712 2.476 660 HD2 PHE 82 2HD PHE 82 3.963 -6.360 -0.276 661 HE1 PHE 82 1HE PHE 82 4.379 -4.426 4.273 662 HE2 PHE 82 2HE PHE 82 2.415 -7.075 1.521 663 HZ PHE 82 HZ PHE 82 2.620 -6.107 3.795 664 H GLY 83 H GLY 83 7.237 -7.444 1.470 665 HA2 GLY 83 2HA GLY 83 7.091 -9.389 -0.736 666 HA3 GLY 83 1HA GLY 83 7.235 -9.777 0.979 667 H GLY 84 H GLY 84 5.440 -11.320 -0.130 668 HA2 GLY 84 2HA GLY 84 2.791 -10.008 -0.082 669 HA3 GLY 84 1HA GLY 84 3.101 -11.673 -0.569 670 H LEU 85 H LEU 85 1.069 -10.870 1.318 671 HA LEU 85 HA LEU 85 2.183 -11.830 3.913 672 HB2 LEU 85 2HB LEU 85 -0.544 -10.638 3.318 673 HB3 LEU 85 1HB LEU 85 0.127 -10.975 4.914 674 HG LEU 85 HG LEU 85 1.214 -8.990 2.896 675 HD11 LEU 85 1HD1 LEU 85 0.029 -8.581 5.658 676 HD12 LEU 85 2HD1 LEU 85 -0.836 -8.299 4.148 677 HD13 LEU 85 3HD1 LEU 85 0.572 -7.319 4.553 678 HD21 LEU 85 3HD2 LEU 85 3.149 -9.714 3.969 679 HD22 LEU 85 1HD2 LEU 85 2.293 -10.130 5.454 680 HD23 LEU 85 2HD2 LEU 85 2.624 -8.440 5.070 681 H LYS 86 H LYS 86 1.946 -13.967 4.302 682 HA LYS 86 HA LYS 86 0.327 -15.691 2.676 683 HB2 LYS 86 2HB LYS 86 1.563 -16.171 5.404 684 HB3 LYS 86 1HB LYS 86 0.894 -17.426 4.361 685 HG2 LYS 86 2HG LYS 86 2.510 -16.669 2.567 686 HG3 LYS 86 1HG LYS 86 3.266 -15.634 3.780 687 HD2 LYS 86 2HD LYS 86 2.925 -18.636 4.047 688 HD3 LYS 86 1HD LYS 86 4.417 -17.836 3.554 689 HE2 LYS 86 2HE LYS 86 4.901 -17.830 5.774 690 HE3 LYS 86 1HE LYS 86 3.791 -16.461 5.845 691 HZ1 LYS 86 3HZ LYS 86 3.518 -18.819 7.184 692 HZ2 LYS 86 1HZ LYS 86 2.431 -18.976 5.892 693 HZ3 LYS 86 2HZ LYS 86 2.301 -17.656 6.953 694 H LYS 87 H LYS 87 -0.231 -14.144 5.821 695 HA LYS 87 HA LYS 87 -2.801 -15.561 6.108 696 HB2 LYS 87 2HB LYS 87 -1.441 -13.484 7.843 697 HB3 LYS 87 1HB LYS 87 -2.968 -14.273 8.240 698 HG2 LYS 87 2HG LYS 87 -1.801 -16.487 8.072 699 HG3 LYS 87 1HG LYS 87 -0.280 -15.619 7.862 700 HD2 LYS 87 2HD LYS 87 -0.692 -14.458 10.036 701 HD3 LYS 87 1HD LYS 87 -2.128 -15.460 10.257 702 HE2 LYS 87 2HE LYS 87 0.678 -16.544 9.878 703 HE3 LYS 87 1HE LYS 87 -0.131 -16.380 11.437 704 HZ1 LYS 87 3HZ LYS 87 -1.086 -18.009 9.145 705 HZ2 LYS 87 1HZ LYS 87 -1.889 -17.836 10.628 706 HZ3 LYS 87 2HZ LYS 87 -0.377 -18.610 10.566 707 H GLU 88 H GLU 88 -4.725 -14.718 5.531 708 HA GLU 88 HA GLU 88 -4.826 -12.148 4.152 709 HB2 GLU 88 2HB GLU 88 -7.002 -14.124 4.901 710 HB3 GLU 88 1HB GLU 88 -7.248 -12.699 3.890 711 HG2 GLU 88 2HG GLU 88 -5.541 -13.555 2.302 712 HG3 GLU 88 1HG GLU 88 -5.372 -15.005 3.293 713 H LYS 89 H LYS 89 -5.681 -13.361 7.339 714 HA LYS 89 HA LYS 89 -7.466 -11.344 8.189 715 HB2 LYS 89 2HB LYS 89 -6.798 -13.423 9.463 716 HB3 LYS 89 1HB LYS 89 -5.308 -12.596 9.902 717 HG2 LYS 89 2HG LYS 89 -6.639 -10.763 10.915 718 HG3 LYS 89 1HG LYS 89 -8.116 -11.648 10.533 719 HD2 LYS 89 2HD LYS 89 -7.244 -13.570 11.891 720 HD3 LYS 89 1HD LYS 89 -5.886 -12.554 12.374 721 HE2 LYS 89 2HE LYS 89 -7.619 -12.455 14.092 722 HE3 LYS 89 1HE LYS 89 -7.499 -10.889 13.291 723 HZ1 LYS 89 3HZ LYS 89 -9.806 -11.891 13.630 724 HZ2 LYS 89 1HZ LYS 89 -9.407 -12.940 12.358 725 HZ3 LYS 89 2HZ LYS 89 -9.436 -11.260 12.096 726 H ASP 90 H ASP 90 -3.908 -11.411 8.562 727 HA ASP 90 HA ASP 90 -3.760 -8.771 9.660 728 HB2 ASP 90 2HB ASP 90 -1.354 -8.889 9.166 729 HB3 ASP 90 1HB ASP 90 -1.919 -10.395 9.885 730 H ARG 91 H ARG 91 -3.891 -9.960 6.366 731 HA ARG 91 HA ARG 91 -2.973 -7.643 5.002 732 HB2 ARG 91 2HB ARG 91 -3.455 -9.842 3.922 733 HB3 ARG 91 1HB ARG 91 -5.178 -9.541 4.146 734 HG2 ARG 91 2HG ARG 91 -4.916 -7.422 2.824 735 HG3 ARG 91 1HG ARG 91 -3.249 -7.897 2.488 736 HD2 ARG 91 2HD ARG 91 -5.712 -9.515 1.782 737 HD3 ARG 91 1HD ARG 91 -4.753 -8.570 0.647 738 HE ARG 91 HE ARG 91 -2.852 -10.206 1.669 739 HH11 ARG 91 1HH2 ARG 91 -6.089 -10.766 0.611 740 HH12 ARG 91 2HH2 ARG 91 -5.783 -12.400 0.122 741 HH21 ARG 91 1HH1 ARG 91 -2.440 -12.334 1.034 742 HH22 ARG 91 2HH1 ARG 91 -3.720 -13.287 0.361 743 H ASN 92 H ASN 92 -6.239 -8.503 6.156 744 HA ASN 92 HA ASN 92 -7.572 -6.214 5.109 745 HB2 ASN 92 2HB ASN 92 -8.146 -7.947 7.524 746 HB3 ASN 92 1HB ASN 92 -9.238 -6.690 6.953 747 HD21 ASN 92 1HD2 ASN 92 -10.146 -6.965 4.728 748 HD22 ASN 92 2HD2 ASN 92 -10.258 -8.519 4.056 749 H ASP 93 H ASP 93 -5.941 -6.752 8.236 750 HA ASP 93 HA ASP 93 -6.649 -4.220 9.362 751 HB2 ASP 93 2HB ASP 93 -4.292 -6.046 9.900 752 HB3 ASP 93 1HB ASP 93 -4.729 -4.660 10.893 753 H LEU 94 H LEU 94 -3.838 -5.266 7.427 754 HA LEU 94 HA LEU 94 -2.315 -2.894 7.680 755 HB2 LEU 94 2HB LEU 94 -1.438 -4.944 6.634 756 HB3 LEU 94 1HB LEU 94 -2.541 -4.726 5.275 757 HG LEU 94 HG LEU 94 -1.474 -2.585 4.723 758 HD11 LEU 94 1HD1 LEU 94 0.826 -2.299 6.039 759 HD12 LEU 94 2HD1 LEU 94 -0.070 -3.139 7.305 760 HD13 LEU 94 3HD1 LEU 94 -0.675 -1.613 6.661 761 HD21 LEU 94 3HD2 LEU 94 0.135 -3.651 3.544 762 HD22 LEU 94 1HD2 LEU 94 -0.383 -5.114 4.382 763 HD23 LEU 94 2HD2 LEU 94 0.971 -4.173 5.005 764 H ILE 95 H ILE 95 -4.805 -3.703 5.233 765 HA ILE 95 HA ILE 95 -4.601 -1.161 3.892 766 HB ILE 95 HB ILE 95 -6.995 -3.009 4.023 767 HG12 ILE 95 2HG1 ILE 95 -4.716 -2.948 2.022 768 HG13 ILE 95 1HG1 ILE 95 -4.885 -4.147 3.303 769 HG21 ILE 95 1HG2 ILE 95 -6.767 -0.473 2.935 770 HG22 ILE 95 2HG2 ILE 95 -7.938 -1.692 2.430 771 HG23 ILE 95 3HG2 ILE 95 -6.413 -1.519 1.556 772 HD11 ILE 95 3HD1 ILE 95 -7.385 -4.110 2.048 773 HD12 ILE 95 1HD1 ILE 95 -6.146 -5.352 1.874 774 HD13 ILE 95 2HD1 ILE 95 -6.223 -4.016 0.724 775 H THR 96 H THR 96 -6.521 -2.369 6.586 776 HA THR 96 HA THR 96 -8.340 -0.227 6.864 777 HB THR 96 HB THR 96 -7.056 -1.773 9.130 778 HG1 THR 96 1HG THR 96 -7.972 -3.420 8.240 779 HG21 THR 96 3HG2 THR 96 -9.014 -1.240 10.363 780 HG22 THR 96 1HG2 THR 96 -9.869 -0.698 8.918 781 HG23 THR 96 2HG2 THR 96 -8.548 0.269 9.578 782 H TYR 97 H TYR 97 -5.012 -0.584 8.114 783 HA TYR 97 HA TYR 97 -4.979 1.815 9.655 784 HB2 TYR 97 2HB TYR 97 -3.207 0.069 9.757 785 HB3 TYR 97 1HB TYR 97 -2.671 0.545 8.147 786 HD1 TYR 97 1HD TYR 97 -3.075 1.711 11.651 787 HD2 TYR 97 2HD TYR 97 -1.344 2.506 7.802 788 HE1 TYR 97 1HE TYR 97 -1.699 3.518 12.644 789 HE2 TYR 97 2HE TYR 97 0.031 4.315 8.795 790 HH TYR 97 HH TYR 97 0.922 4.931 11.026 791 H LEU 98 H LEU 98 -3.929 1.246 6.274 792 HA LEU 98 HA LEU 98 -3.419 4.033 5.746 793 HB2 LEU 98 2HB LEU 98 -4.059 1.731 3.875 794 HB3 LEU 98 1HB LEU 98 -3.529 3.325 3.339 795 HG LEU 98 HG LEU 98 -1.968 1.486 5.178 796 HD11 LEU 98 1HD1 LEU 98 -0.518 1.983 2.848 797 HD12 LEU 98 2HD1 LEU 98 -2.167 1.724 2.274 798 HD13 LEU 98 3HD1 LEU 98 -1.365 0.486 3.241 799 HD21 LEU 98 3HD2 LEU 98 -1.114 3.533 5.769 800 HD22 LEU 98 1HD2 LEU 98 -1.679 4.309 4.290 801 HD23 LEU 98 2HD2 LEU 98 -0.210 3.335 4.268 802 H LYS 99 H LYS 99 -6.236 1.959 5.573 803 HA LYS 99 HA LYS 99 -7.964 3.602 4.051 804 HB2 LYS 99 2HB LYS 99 -8.439 1.255 4.885 805 HB3 LYS 99 1HB LYS 99 -8.747 1.957 6.473 806 HG2 LYS 99 2HG LYS 99 -10.494 3.410 5.446 807 HG3 LYS 99 1HG LYS 99 -10.239 2.572 3.915 808 HD2 LYS 99 2HD LYS 99 -10.821 0.425 5.004 809 HD3 LYS 99 1HD LYS 99 -11.118 1.285 6.516 810 HE2 LYS 99 2HE LYS 99 -12.582 2.648 4.507 811 HE3 LYS 99 1HE LYS 99 -12.893 0.926 4.282 812 HZ1 LYS 99 3HZ LYS 99 -13.340 0.812 6.710 813 HZ2 LYS 99 1HZ LYS 99 -14.460 1.745 5.842 814 HZ3 LYS 99 2HZ LYS 99 -13.254 2.508 6.764 815 H LYS 100 H LYS 100 -7.193 3.627 7.521 816 HA LYS 100 HA LYS 100 -9.028 5.652 8.317 817 HB2 LYS 100 2HB LYS 100 -7.713 4.220 9.879 818 HB3 LYS 100 1HB LYS 100 -6.260 5.108 9.423 819 HG2 LYS 100 2HG LYS 100 -7.362 7.218 10.182 820 HG3 LYS 100 1HG LYS 100 -8.731 6.258 10.746 821 HD2 LYS 100 2HD LYS 100 -7.115 4.932 12.153 822 HD3 LYS 100 1HD LYS 100 -5.867 6.096 11.712 823 HE2 LYS 100 2HE LYS 100 -7.282 7.923 12.640 824 HE3 LYS 100 1HE LYS 100 -8.462 6.719 13.154 825 HZ1 LYS 100 3HZ LYS 100 -6.713 7.490 14.831 826 HZ2 LYS 100 1HZ LYS 100 -5.629 6.514 13.962 827 HZ3 LYS 100 2HZ LYS 100 -6.999 5.820 14.691 828 H ALA 101 H ALA 101 -5.732 5.837 7.035 829 HA ALA 101 HA ALA 101 -5.323 8.626 7.361 830 HB1 ALA 101 1HB ALA 101 -3.356 7.833 6.570 831 HB2 ALA 101 2HB ALA 101 -4.064 8.021 4.965 832 HB3 ALA 101 3HB ALA 101 -4.138 6.460 5.784 833 H THR 102 H THR 102 -7.170 6.835 4.957 834 HA THR 102 HA THR 102 -7.466 8.958 3.060 835 HB THR 102 HB THR 102 -8.221 6.341 3.113 836 HG1 THR 102 1HG THR 102 -9.747 7.911 1.445 837 HG21 THR 102 3HG2 THR 102 -10.602 6.138 3.169 838 HG22 THR 102 1HG2 THR 102 -10.819 7.885 3.258 839 HG23 THR 102 2HG2 THR 102 -10.151 7.006 4.634 840 H GLU 103 H GLU 103 -9.129 8.207 6.071 841 HA GLU 103 HA GLU 103 -11.354 9.984 5.699 842 HB2 GLU 103 2HB GLU 103 -11.222 8.204 7.462 843 HB3 GLU 103 1HB GLU 103 -10.031 9.192 8.309 844 HG2 GLU 103 2HG GLU 103 -11.692 11.048 8.412 845 HG3 GLU 103 1HG GLU 103 -12.885 9.985 7.665 846 HHA HEC 201 HA HEC 104 4.788 3.354 -5.710 847 HHB HEC 201 HB HEC 104 1.177 0.163 -1.625 848 HHC HEC 201 HC HEC 104 6.226 -0.880 2.015 849 HHD HEC 201 HD HEC 104 9.873 2.171 -2.169 850 HMA1 HEC 201 1HMA HEC 104 -0.122 0.774 -4.127 851 HMA2 HEC 201 2HMA HEC 104 -0.085 2.530 -4.288 852 HMA3 HEC 201 3HMA HEC 104 -0.037 1.788 -2.687 853 HAA1 HEC 201 1HAA HEC 104 2.759 2.062 -6.778 854 HAA2 HEC 201 2HAA HEC 104 1.115 2.351 -6.229 855 HBA1 HEC 201 1HBA HEC 104 2.811 4.251 -7.323 856 HBA2 HEC 201 2HBA HEC 104 2.907 4.574 -5.592 857 HMB1 HEC 201 1HMB HEC 104 1.058 -1.853 -0.582 858 HMB2 HEC 201 2HMB HEC 104 1.522 -2.575 0.950 859 HMB3 HEC 201 3HMB HEC 104 0.536 -1.114 0.928 860 HAB HEC 201 HAB HEC 104 4.481 -1.743 3.076 861 HBB1 HEC 201 1HBB HEC 104 1.473 -1.451 2.937 862 HBB2 HEC 201 2HBB HEC 104 2.365 -1.934 4.371 863 HBB3 HEC 201 3HBB HEC 104 2.391 -2.958 2.942 864 HMC1 HEC 201 1HMC HEC 104 8.486 -0.797 2.861 865 HMC2 HEC 201 2HMC HEC 104 10.058 -0.791 2.061 866 HMC3 HEC 201 3HMC HEC 104 8.810 -1.926 1.546 867 HAC HEC 201 HAC HEC 104 10.878 2.140 -0.219 868 HBC1 HEC 201 1HBC HEC 104 12.293 0.127 1.128 869 HBC2 HEC 201 2HBC HEC 104 11.236 -0.729 0.005 870 HBC3 HEC 201 3HBC HEC 104 12.362 0.487 -0.595 871 HMD1 HEC 201 1HMD HEC 104 10.270 4.188 -4.371 872 HMD2 HEC 201 2HMD HEC 104 9.864 3.229 -5.792 873 HMD3 HEC 201 3HMD HEC 104 10.435 2.432 -4.327 874 HAD1 HEC 201 1HAD HEC 104 8.112 5.124 -5.972 875 HAD2 HEC 201 2HAD HEC 104 6.361 5.010 -5.947 876 HBD1 HEC 201 1HBD HEC 104 6.952 2.769 -7.348 877 HBD2 HEC 201 2HBD HEC 104 6.638 4.334 -8.097 Start of MODEL 10 1 H1 THR -5 1HT THR -5 -19.427 -3.960 4.935 2 H2 THR -5 2HT THR -5 -19.783 -5.524 4.372 3 H3 THR -5 3HT THR -5 -20.978 -4.317 4.353 4 HA THR -5 HA THR -5 -20.389 -4.157 2.196 5 HB THR -5 HB THR -5 -18.629 -2.417 1.908 6 HG1 THR -5 1HG THR -5 -18.283 -2.348 4.671 7 HG21 THR -5 1HG2 THR -5 -19.793 -1.177 4.189 8 HG22 THR -5 2HG2 THR -5 -21.001 -2.268 3.509 9 HG23 THR -5 3HG2 THR -5 -20.279 -1.014 2.501 10 H GLU -4 H GLU -4 -18.327 -4.140 0.616 11 HA GLU -4 HA GLU -4 -17.300 -6.783 0.572 12 HB2 GLU -4 2HB GLU -4 -17.396 -5.236 -1.397 13 HB3 GLU -4 1HB GLU -4 -16.046 -4.336 -0.705 14 HG2 GLU -4 2HG GLU -4 -14.688 -6.427 -0.720 15 HG3 GLU -4 1HG GLU -4 -16.027 -7.259 -1.516 16 H PHE -3 H PHE -3 -16.027 -3.835 2.027 17 HA PHE -3 HA PHE -3 -13.555 -5.278 2.824 18 HB2 PHE -3 2HB PHE -3 -13.348 -2.980 1.894 19 HB3 PHE -3 1HB PHE -3 -14.331 -2.372 3.227 20 HD1 PHE -3 2HD PHE -3 -11.098 -3.943 2.329 21 HD2 PHE -3 1HD PHE -3 -13.436 -2.149 5.454 22 HE1 PHE -3 2HE PHE -3 -9.079 -3.809 3.764 23 HE2 PHE -3 1HE PHE -3 -11.418 -2.016 6.888 24 HZ PHE -3 HZ PHE -3 -9.240 -2.847 6.044 25 H LYS -2 H LYS -2 -13.346 -6.087 4.856 26 HA LYS -2 HA LYS -2 -15.532 -5.586 6.789 27 HB2 LYS -2 2HB LYS -2 -14.653 -7.916 6.273 28 HB3 LYS -2 1HB LYS -2 -13.166 -7.451 7.101 29 HG2 LYS -2 2HG LYS -2 -14.606 -6.820 9.096 30 HG3 LYS -2 1HG LYS -2 -15.955 -7.602 8.269 31 HD2 LYS -2 2HD LYS -2 -13.317 -8.959 8.903 32 HD3 LYS -2 1HD LYS -2 -14.777 -9.118 9.880 33 HE2 LYS -2 2HE LYS -2 -15.732 -9.678 7.366 34 HE3 LYS -2 1HE LYS -2 -14.108 -10.356 7.290 35 HZ1 LYS -2 3HZ LYS -2 -14.615 -11.469 9.447 36 HZ2 LYS -2 1HZ LYS -2 -15.533 -12.026 8.135 37 HZ3 LYS -2 2HZ LYS -2 -16.229 -10.969 9.268 38 H ALA -1 H ALA -1 -15.261 -4.291 8.566 39 HA ALA -1 HA ALA -1 -13.112 -2.501 8.840 40 HB1 ALA -1 1HB ALA -1 -15.165 -2.099 10.045 41 HB2 ALA -1 2HB ALA -1 -13.878 -2.273 11.238 42 HB3 ALA -1 3HB ALA -1 -14.993 -3.607 10.942 43 H GLY 1 H GLY 1 -11.068 -3.439 8.742 44 HA2 GLY 1 2HA GLY 1 -10.345 -5.799 10.246 45 HA3 GLY 1 1HA GLY 1 -9.216 -4.710 9.441 46 H SER 2 H SER 2 -8.844 -5.849 12.072 47 HA SER 2 HA SER 2 -9.529 -4.116 14.203 48 HB2 SER 2 2HB SER 2 -6.934 -5.652 13.879 49 HB3 SER 2 1HB SER 2 -7.628 -5.080 15.393 50 HG SER 2 HG SER 2 -8.675 -6.894 15.406 51 H ALA 3 H ALA 3 -7.001 -3.882 11.765 52 HA ALA 3 HA ALA 3 -5.739 -2.011 11.115 53 HB1 ALA 3 1HB ALA 3 -6.582 0.081 11.568 54 HB2 ALA 3 2HB ALA 3 -6.895 -0.298 13.263 55 HB3 ALA 3 3HB ALA 3 -7.993 -0.879 12.011 56 H LYS 4 H LYS 4 -6.157 -2.443 14.624 57 HA LYS 4 HA LYS 4 -3.736 -1.191 15.432 58 HB2 LYS 4 2HB LYS 4 -5.546 -1.963 16.983 59 HB3 LYS 4 1HB LYS 4 -5.032 -3.626 16.696 60 HG2 LYS 4 2HG LYS 4 -2.761 -3.043 17.520 61 HG3 LYS 4 1HG LYS 4 -3.328 -1.410 17.871 62 HD2 LYS 4 2HD LYS 4 -5.069 -2.391 19.378 63 HD3 LYS 4 1HD LYS 4 -4.354 -3.980 19.107 64 HE2 LYS 4 2HE LYS 4 -2.698 -3.576 20.584 65 HE3 LYS 4 1HE LYS 4 -2.330 -2.022 19.836 66 HZ1 LYS 4 3HZ LYS 4 -3.198 -2.067 22.239 67 HZ2 LYS 4 1HZ LYS 4 -4.718 -2.338 21.534 68 HZ3 LYS 4 2HZ LYS 4 -3.849 -0.926 21.161 69 H LYS 5 H LYS 5 -4.358 -4.650 14.709 70 HA LYS 5 HA LYS 5 -1.619 -5.453 14.990 71 HB2 LYS 5 2HB LYS 5 -3.860 -6.662 13.335 72 HB3 LYS 5 1HB LYS 5 -2.317 -7.451 13.667 73 HG2 LYS 5 2HG LYS 5 -2.790 -7.258 16.112 74 HG3 LYS 5 1HG LYS 5 -4.377 -6.595 15.720 75 HD2 LYS 5 2HD LYS 5 -4.876 -8.673 14.423 76 HD3 LYS 5 1HD LYS 5 -3.336 -9.341 14.967 77 HE2 LYS 5 2HE LYS 5 -4.364 -10.058 16.834 78 HE3 LYS 5 1HE LYS 5 -4.625 -8.373 17.286 79 HZ1 LYS 5 3HZ LYS 5 -6.714 -8.354 16.259 80 HZ2 LYS 5 1HZ LYS 5 -6.665 -9.823 17.105 81 HZ3 LYS 5 2HZ LYS 5 -6.425 -9.805 15.424 82 H GLY 6 H GLY 6 -3.546 -4.423 12.186 83 HA2 GLY 6 2HA GLY 6 -1.475 -4.779 10.238 84 HA3 GLY 6 1HA GLY 6 -2.877 -3.728 10.052 85 H ALA 7 H ALA 7 -2.263 -2.140 12.447 86 HA ALA 7 HA ALA 7 -0.712 -0.087 11.271 87 HB1 ALA 7 1HB ALA 7 -1.334 1.034 13.129 88 HB2 ALA 7 2HB ALA 7 -0.445 -0.086 14.160 89 HB3 ALA 7 3HB ALA 7 -2.104 -0.452 13.687 90 H THR 8 H THR 8 0.242 -2.684 13.503 91 HA THR 8 HA THR 8 3.017 -1.830 13.587 92 HB THR 8 HB THR 8 3.398 -3.931 14.759 93 HG1 THR 8 1HG THR 8 2.208 -5.341 13.547 94 HG21 THR 8 3HG2 THR 8 2.209 -3.371 16.635 95 HG22 THR 8 1HG2 THR 8 0.679 -3.276 15.760 96 HG23 THR 8 2HG2 THR 8 1.829 -1.942 15.672 97 H LEU 9 H LEU 9 1.107 -4.067 11.617 98 HA LEU 9 HA LEU 9 3.270 -5.433 10.348 99 HB2 LEU 9 2HB LEU 9 0.643 -5.765 10.207 100 HB3 LEU 9 1HB LEU 9 0.786 -4.675 8.830 101 HG LEU 9 HG LEU 9 0.936 -6.967 8.033 102 HD11 LEU 9 1HD1 LEU 9 2.878 -6.769 6.736 103 HD12 LEU 9 2HD1 LEU 9 3.788 -6.009 8.042 104 HD13 LEU 9 3HD1 LEU 9 2.541 -5.099 7.186 105 HD21 LEU 9 3HD2 LEU 9 3.472 -7.654 9.307 106 HD22 LEU 9 1HD2 LEU 9 1.991 -8.605 9.174 107 HD23 LEU 9 2HD2 LEU 9 2.175 -7.438 10.484 108 H PHE 10 H PHE 10 1.592 -2.410 9.625 109 HA PHE 10 HA PHE 10 3.112 -1.767 7.253 110 HB2 PHE 10 2HB PHE 10 0.903 -0.756 7.808 111 HB3 PHE 10 1HB PHE 10 1.641 0.060 9.185 112 HD1 PHE 10 1HD PHE 10 1.438 -0.090 5.506 113 HD2 PHE 10 2HD PHE 10 3.157 1.933 8.881 114 HE1 PHE 10 1HE PHE 10 2.151 1.770 4.029 115 HE2 PHE 10 2HE PHE 10 3.869 3.790 7.403 116 HZ PHE 10 HZ PHE 10 3.371 3.707 4.978 117 H LYS 11 H LYS 11 3.314 -0.760 10.657 118 HA LYS 11 HA LYS 11 5.587 0.938 10.403 119 HB2 LYS 11 2HB LYS 11 4.007 0.751 12.388 120 HB3 LYS 11 1HB LYS 11 4.869 -0.721 12.827 121 HG2 LYS 11 2HG LYS 11 6.994 0.551 12.904 122 HG3 LYS 11 1HG LYS 11 6.108 2.029 12.525 123 HD2 LYS 11 2HD LYS 11 4.709 1.639 14.577 124 HD3 LYS 11 1HD LYS 11 5.769 0.288 14.982 125 HE2 LYS 11 2HE LYS 11 6.633 3.174 14.630 126 HE3 LYS 11 1HE LYS 11 6.483 2.322 16.167 127 HZ1 LYS 11 3HZ LYS 11 8.723 2.146 15.634 128 HZ2 LYS 11 1HZ LYS 11 8.422 1.868 13.988 129 HZ3 LYS 11 2HZ LYS 11 8.088 0.654 15.130 130 H THR 12 H THR 12 5.319 -2.534 11.051 131 HA THR 12 HA THR 12 8.110 -2.929 11.602 132 HB THR 12 HB THR 12 7.614 -5.317 11.332 133 HG1 THR 12 1HG THR 12 6.266 -5.293 9.581 134 HG21 THR 12 3HG2 THR 12 6.861 -4.952 13.432 135 HG22 THR 12 1HG2 THR 12 5.247 -5.027 12.727 136 HG23 THR 12 2HG2 THR 12 6.034 -3.466 12.966 137 H ARG 13 H ARG 13 6.268 -2.971 8.556 138 HA ARG 13 HA ARG 13 8.864 -3.014 7.149 139 HB2 ARG 13 2HB ARG 13 6.721 -5.108 6.740 140 HB3 ARG 13 1HB ARG 13 8.061 -4.848 5.624 141 HG2 ARG 13 2HG ARG 13 9.640 -5.222 7.548 142 HG3 ARG 13 1HG ARG 13 8.249 -5.662 8.538 143 HD2 ARG 13 2HD ARG 13 7.679 -7.417 6.821 144 HD3 ARG 13 1HD ARG 13 9.215 -7.057 6.030 145 HE ARG 13 HE ARG 13 9.740 -7.587 8.774 146 HH11 ARG 13 1HH2 ARG 13 8.607 -9.102 5.893 147 HH12 ARG 13 2HH2 ARG 13 9.198 -10.671 6.327 148 HH21 ARG 13 1HH1 ARG 13 10.517 -9.627 9.359 149 HH22 ARG 13 2HH1 ARG 13 10.279 -10.969 8.290 150 H CYS 14 H CYS 14 7.454 -0.752 7.095 151 HA CYS 14 HA CYS 14 6.783 -0.468 4.312 152 HB2 CYS 14 2HB CYS 14 4.696 -1.596 5.371 153 HB3 CYS 14 1HB CYS 14 4.402 -0.015 6.097 154 H LEU 15 H LEU 15 6.298 0.912 7.558 155 HA LEU 15 HA LEU 15 6.040 3.623 6.762 156 HB2 LEU 15 2HB LEU 15 5.633 2.787 9.074 157 HB3 LEU 15 1HB LEU 15 7.369 2.560 9.274 158 HG LEU 15 HG LEU 15 7.560 5.072 8.634 159 HD11 LEU 15 1HD1 LEU 15 4.615 4.815 9.295 160 HD12 LEU 15 2HD1 LEU 15 5.333 5.493 7.833 161 HD13 LEU 15 3HD1 LEU 15 5.491 6.344 9.368 162 HD21 LEU 15 3HD2 LEU 15 6.747 3.778 11.162 163 HD22 LEU 15 1HD2 LEU 15 6.519 5.527 11.118 164 HD23 LEU 15 2HD2 LEU 15 8.117 4.838 10.831 165 H GLN 16 H GLN 16 8.918 1.627 7.250 166 HA GLN 16 HA GLN 16 10.872 3.675 7.189 167 HB2 GLN 16 2HB GLN 16 11.008 0.849 6.095 168 HB3 GLN 16 1HB GLN 16 12.406 1.899 6.333 169 HG2 GLN 16 2HG GLN 16 11.910 2.049 8.733 170 HG3 GLN 16 1HG GLN 16 10.482 1.036 8.513 171 HE21 GLN 16 1HE2 GLN 16 12.586 0.204 10.250 172 HE22 GLN 16 2HE2 GLN 16 13.354 -1.146 9.567 173 H CYS 17 H CYS 17 9.175 2.055 4.521 174 HA CYS 17 HA CYS 17 10.725 3.638 2.557 175 HB2 CYS 17 2HB CYS 17 8.605 1.502 2.244 176 HB3 CYS 17 1HB CYS 17 9.329 2.366 0.888 177 H HIS 18 H HIS 18 7.372 3.290 3.696 178 HA HIS 18 HA HIS 18 6.664 5.714 2.103 179 HB2 HIS 18 2HB HIS 18 5.014 3.458 3.261 180 HB3 HIS 18 1HB HIS 18 4.286 4.937 2.627 181 HD1 HIS 18 1HD HIS 18 5.132 5.515 0.031 182 HD2 HIS 18 2HD HIS 18 5.479 1.579 1.342 183 HE1 HIS 18 1HE HIS 18 5.344 4.081 -2.056 184 H THR 19 H THR 19 6.333 7.588 3.174 185 HA THR 19 HA THR 19 6.349 7.581 6.122 186 HB THR 19 HB THR 19 6.607 9.987 5.930 187 HG1 THR 19 1HG THR 19 6.710 10.450 3.388 188 HG21 THR 19 3HG2 THR 19 8.262 9.251 3.603 189 HG22 THR 19 1HG2 THR 19 8.411 8.158 4.978 190 HG23 THR 19 2HG2 THR 19 8.749 9.878 5.178 191 H VAL 20 H VAL 20 4.070 7.812 3.532 192 HA VAL 20 HA VAL 20 1.745 8.131 3.534 193 HB VAL 20 HB VAL 20 1.889 7.648 6.514 194 HG11 VAL 20 1HG1 VAL 20 -0.232 8.147 4.826 195 HG12 VAL 20 2HG1 VAL 20 -0.346 7.285 6.360 196 HG13 VAL 20 3HG1 VAL 20 -0.185 6.385 4.852 197 HG21 VAL 20 3HG2 VAL 20 1.756 5.227 5.951 198 HG22 VAL 20 1HG2 VAL 20 3.269 5.950 5.406 199 HG23 VAL 20 2HG2 VAL 20 1.978 5.631 4.248 200 H GLU 21 H GLU 21 3.547 10.450 4.088 201 HA GLU 21 HA GLU 21 1.754 12.104 5.809 202 HB2 GLU 21 2HB GLU 21 4.543 12.681 4.767 203 HB3 GLU 21 1HB GLU 21 3.617 13.724 5.845 204 HG2 GLU 21 2HG GLU 21 3.527 11.880 7.512 205 HG3 GLU 21 1HG GLU 21 4.533 10.897 6.446 206 H LYS 22 H LYS 22 0.902 14.079 4.974 207 HA LYS 22 HA LYS 22 0.118 14.049 2.236 208 HB2 LYS 22 2HB LYS 22 -0.725 16.310 2.634 209 HB3 LYS 22 1HB LYS 22 -1.078 15.299 4.035 210 HG2 LYS 22 2HG LYS 22 0.972 16.179 5.148 211 HG3 LYS 22 1HG LYS 22 1.229 17.249 3.771 212 HD2 LYS 22 2HD LYS 22 0.085 18.510 5.493 213 HD3 LYS 22 1HD LYS 22 -1.054 18.219 4.177 214 HE2 LYS 22 2HE LYS 22 -2.287 16.680 5.399 215 HE3 LYS 22 1HE LYS 22 -0.917 16.231 6.415 216 HZ1 LYS 22 3HZ LYS 22 -2.167 18.913 6.518 217 HZ2 LYS 22 1HZ LYS 22 -1.101 18.214 7.637 218 HZ3 LYS 22 2HZ LYS 22 -2.690 17.625 7.496 219 H GLY 23 H GLY 23 2.812 15.625 3.891 220 HA2 GLY 23 2HA GLY 23 3.911 16.365 1.207 221 HA3 GLY 23 1HA GLY 23 4.077 17.432 2.603 222 H GLY 24 H GLY 24 4.391 13.896 2.513 223 HA2 GLY 24 2HA GLY 24 6.723 13.887 4.150 224 HA3 GLY 24 1HA GLY 24 6.170 12.522 3.181 225 HA PRO 25 HA PRO 25 9.982 14.754 1.292 226 HB2 PRO 25 2HB PRO 25 11.990 13.197 2.281 227 HB3 PRO 25 1HB PRO 25 11.418 14.665 3.098 228 HG2 PRO 25 2HG PRO 25 10.782 11.811 3.666 229 HG3 PRO 25 1HG PRO 25 11.107 13.138 4.791 230 HD2 PRO 25 2HD PRO 25 8.580 12.270 4.236 231 HD3 PRO 25 1HD PRO 25 8.944 13.955 4.672 232 H HIS 26 H HIS 26 8.547 11.706 1.414 233 HA HIS 26 HA HIS 26 8.539 9.896 -0.062 234 HB2 HIS 26 2HB HIS 26 10.075 11.724 -1.932 235 HB3 HIS 26 1HB HIS 26 9.127 10.308 -2.371 236 HD1 HIS 26 1HD HIS 26 6.522 10.506 -2.223 237 HD2 HIS 26 2HD HIS 26 8.550 14.069 -1.459 238 HE1 HIS 26 1HE HIS 26 4.794 12.349 -2.336 239 HE2 HIS 26 2HE HIS 26 6.014 14.525 -1.864 240 H LYS 27 H LYS 27 10.190 9.254 1.723 241 HA LYS 27 HA LYS 27 12.983 9.297 1.267 242 HB2 LYS 27 2HB LYS 27 11.759 8.552 3.372 243 HB3 LYS 27 1HB LYS 27 11.495 7.004 2.570 244 HG2 LYS 27 2HG LYS 27 13.958 6.778 2.258 245 HG3 LYS 27 1HG LYS 27 14.185 8.291 3.133 246 HD2 LYS 27 2HD LYS 27 12.986 7.266 5.088 247 HD3 LYS 27 1HD LYS 27 12.971 5.735 4.213 248 HE2 LYS 27 2HE LYS 27 15.088 5.306 4.840 249 HE3 LYS 27 1HE LYS 27 15.630 6.843 4.163 250 HZ1 LYS 27 3HZ LYS 27 14.591 6.320 6.886 251 HZ2 LYS 27 1HZ LYS 27 14.729 7.886 6.251 252 HZ3 LYS 27 2HZ LYS 27 16.117 6.924 6.445 253 H VAL 28 H VAL 28 12.434 6.024 1.433 254 HA VAL 28 HA VAL 28 13.681 5.496 -1.086 255 HB VAL 28 HB VAL 28 12.055 3.661 0.699 256 HG11 VAL 28 1HG1 VAL 28 13.296 1.853 -0.483 257 HG12 VAL 28 2HG1 VAL 28 13.970 3.062 -1.577 258 HG13 VAL 28 3HG1 VAL 28 12.234 2.751 -1.567 259 HG21 VAL 28 3HG2 VAL 28 13.852 4.104 2.047 260 HG22 VAL 28 1HG2 VAL 28 14.844 4.676 0.706 261 HG23 VAL 28 2HG2 VAL 28 14.660 2.946 0.990 262 H GLY 29 H GLY 29 10.277 5.427 -0.065 263 HA2 GLY 29 2HA GLY 29 9.533 5.257 -2.961 264 HA3 GLY 29 1HA GLY 29 8.624 4.400 -1.716 265 HA PRO 30 HA PRO 30 7.139 8.904 -2.521 266 HB2 PRO 30 2HB PRO 30 4.698 8.129 -3.614 267 HB3 PRO 30 1HB PRO 30 6.113 8.648 -4.544 268 HG2 PRO 30 2HG PRO 30 5.115 5.910 -3.989 269 HG3 PRO 30 1HG PRO 30 5.904 6.560 -5.437 270 HD2 PRO 30 2HD PRO 30 7.219 4.988 -3.648 271 HD3 PRO 30 1HD PRO 30 8.037 6.268 -4.574 272 H ASN 31 H ASN 31 5.549 9.902 -1.167 273 HA ASN 31 HA ASN 31 4.668 8.247 1.080 274 HB2 ASN 31 2HB ASN 31 3.920 11.134 0.591 275 HB3 ASN 31 1HB ASN 31 4.076 10.292 2.134 276 HD21 ASN 31 1HD2 ASN 31 6.600 9.018 1.788 277 HD22 ASN 31 2HD2 ASN 31 7.797 10.207 1.633 278 H LEU 32 H LEU 32 2.535 7.621 1.506 279 HA LEU 32 HA LEU 32 0.633 7.985 -0.749 280 HB2 LEU 32 2HB LEU 32 0.581 6.100 1.627 281 HB3 LEU 32 1HB LEU 32 -0.667 6.180 0.387 282 HG LEU 32 HG LEU 32 1.203 5.790 -1.320 283 HD11 LEU 32 1HD1 LEU 32 2.917 4.269 0.316 284 HD12 LEU 32 2HD1 LEU 32 2.743 5.818 1.137 285 HD13 LEU 32 3HD1 LEU 32 3.308 5.764 -0.530 286 HD21 LEU 32 3HD2 LEU 32 -0.383 4.039 -0.797 287 HD22 LEU 32 1HD2 LEU 32 0.450 3.671 0.712 288 HD23 LEU 32 2HD2 LEU 32 1.224 3.316 -0.831 289 H HIS 33 H HIS 33 -1.343 8.995 -0.487 290 HA HIS 33 HA HIS 33 -2.510 9.613 2.072 291 HB2 HIS 33 2HB HIS 33 -0.596 11.224 2.097 292 HB3 HIS 33 1HB HIS 33 -1.219 11.938 0.608 293 HD1 HIS 33 1HD HIS 33 -2.576 11.118 4.091 294 HD2 HIS 33 2HD HIS 33 -2.945 14.024 1.121 295 HE1 HIS 33 1HE HIS 33 -4.152 12.881 5.003 296 HE2 HIS 33 2HE HIS 33 -4.383 14.654 3.204 297 H GLY 34 H GLY 34 -4.441 8.936 1.124 298 HA2 GLY 34 2HA GLY 34 -6.517 9.547 0.106 299 HA3 GLY 34 1HA GLY 34 -5.691 10.866 -0.726 300 H ILE 35 H ILE 35 -3.860 8.083 -0.966 301 HA ILE 35 HA ILE 35 -4.114 7.858 -3.782 302 HB ILE 35 HB ILE 35 -2.233 6.968 -2.309 303 HG12 ILE 35 2HG1 ILE 35 -3.354 4.906 -4.221 304 HG13 ILE 35 1HG1 ILE 35 -2.645 6.421 -4.780 305 HG21 ILE 35 1HG2 ILE 35 -3.851 5.754 -0.774 306 HG22 ILE 35 2HG2 ILE 35 -2.479 4.791 -1.323 307 HG23 ILE 35 3HG2 ILE 35 -4.065 4.569 -2.062 308 HD11 ILE 35 3HD1 ILE 35 -0.546 5.871 -3.591 309 HD12 ILE 35 1HD1 ILE 35 -0.956 4.632 -4.778 310 HD13 ILE 35 2HD1 ILE 35 -1.253 4.344 -3.063 311 H PHE 36 H PHE 36 -6.058 6.535 -1.216 312 HA PHE 36 HA PHE 36 -7.204 4.338 -2.654 313 HB2 PHE 36 2HB PHE 36 -8.235 6.035 -0.366 314 HB3 PHE 36 1HB PHE 36 -9.080 4.614 -0.976 315 HD1 PHE 36 1HD PHE 36 -8.082 2.366 -0.788 316 HD2 PHE 36 2HD PHE 36 -6.176 5.827 0.911 317 HE1 PHE 36 1HE PHE 36 -6.623 0.895 0.573 318 HE2 PHE 36 2HE PHE 36 -4.719 4.349 2.274 319 HZ PHE 36 HZ PHE 36 -4.945 1.885 2.100 320 H GLY 37 H GLY 37 -8.801 4.311 -4.184 321 HA2 GLY 37 2HA GLY 37 -10.540 5.090 -5.572 322 HA3 GLY 37 1HA GLY 37 -10.731 6.461 -4.477 323 H ARG 38 H ARG 38 -7.564 5.814 -5.724 324 HA ARG 38 HA ARG 38 -7.902 7.932 -7.789 325 HB2 ARG 38 2HB ARG 38 -5.644 7.817 -5.769 326 HB3 ARG 38 1HB ARG 38 -5.823 9.007 -7.056 327 HG2 ARG 38 2HG ARG 38 -7.907 8.598 -4.898 328 HG3 ARG 38 1HG ARG 38 -6.598 9.770 -4.757 329 HD2 ARG 38 2HD ARG 38 -7.384 10.726 -6.989 330 HD3 ARG 38 1HD ARG 38 -8.822 9.721 -6.807 331 HE ARG 38 HE ARG 38 -8.296 12.173 -5.370 332 HH11 ARG 38 1HH2 ARG 38 -9.675 9.018 -5.194 333 HH12 ARG 38 2HH2 ARG 38 -10.833 9.446 -3.981 334 HH21 ARG 38 1HH1 ARG 38 -9.800 12.752 -3.786 335 HH22 ARG 38 2HH1 ARG 38 -10.905 11.560 -3.183 336 H HIS 39 H HIS 39 -6.097 7.938 -9.372 337 HA HIS 39 HA HIS 39 -5.257 5.172 -9.946 338 HB2 HIS 39 2HB HIS 39 -4.980 7.748 -11.523 339 HB3 HIS 39 1HB HIS 39 -4.453 6.166 -12.100 340 HD1 HIS 39 1HD HIS 39 -7.538 8.176 -11.352 341 HD2 HIS 39 2HD HIS 39 -6.567 4.397 -12.828 342 HE1 HIS 39 1HE HIS 39 -9.678 7.202 -12.298 343 HE2 HIS 39 2HE HIS 39 -9.099 4.903 -13.197 344 H SER 40 H SER 40 -2.993 4.672 -10.424 345 HA SER 40 HA SER 40 -1.176 5.645 -8.458 346 HB2 SER 40 2HB SER 40 -1.129 3.474 -9.969 347 HB3 SER 40 1HB SER 40 -0.170 4.493 -11.037 348 HG SER 40 HG SER 40 0.384 3.534 -8.474 349 H GLY 41 H GLY 41 0.621 7.068 -8.665 350 HA2 GLY 41 2HA GLY 41 2.013 8.627 -9.871 351 HA3 GLY 41 1HA GLY 41 0.813 8.650 -11.162 352 H GLN 42 H GLN 42 -1.031 8.834 -8.488 353 HA GLN 42 HA GLN 42 -1.714 11.574 -8.853 354 HB2 GLN 42 2HB GLN 42 -3.196 9.873 -7.771 355 HB3 GLN 42 1HB GLN 42 -2.147 9.914 -6.353 356 HG2 GLN 42 2HG GLN 42 -2.553 12.385 -6.191 357 HG3 GLN 42 1HG GLN 42 -3.718 12.236 -7.508 358 HE21 GLN 42 1HE2 GLN 42 -5.789 12.269 -6.627 359 HE22 GLN 42 2HE2 GLN 42 -6.265 11.437 -5.225 360 H ALA 43 H ALA 43 0.501 10.008 -6.554 361 HA ALA 43 HA ALA 43 1.005 12.239 -4.891 362 HB1 ALA 43 1HB ALA 43 2.789 11.032 -4.067 363 HB2 ALA 43 2HB ALA 43 3.317 10.517 -5.668 364 HB3 ALA 43 3HB ALA 43 1.939 9.729 -4.897 365 H GLU 44 H GLU 44 2.283 14.051 -5.122 366 HA GLU 44 HA GLU 44 3.589 14.427 -7.789 367 HB2 GLU 44 2HB GLU 44 2.299 16.487 -5.973 368 HB3 GLU 44 1HB GLU 44 3.107 16.841 -7.500 369 HG2 GLU 44 2HG GLU 44 0.702 15.021 -7.188 370 HG3 GLU 44 1HG GLU 44 0.642 16.686 -7.771 371 H GLY 45 H GLY 45 5.617 15.535 -7.789 372 HA2 GLY 45 2HA GLY 45 7.499 16.592 -6.715 373 HA3 GLY 45 1HA GLY 45 6.836 16.123 -5.150 374 H TYR 46 H TYR 46 6.540 13.488 -7.144 375 HA TYR 46 HA TYR 46 9.278 12.477 -6.530 376 HB2 TYR 46 2HB TYR 46 7.624 11.738 -4.760 377 HB3 TYR 46 1HB TYR 46 6.757 10.872 -6.029 378 HD1 TYR 46 1HD TYR 46 10.035 11.155 -4.292 379 HD2 TYR 46 2HD TYR 46 7.550 8.774 -6.865 380 HE1 TYR 46 1HE TYR 46 11.627 9.268 -4.082 381 HE2 TYR 46 2HE TYR 46 9.146 6.885 -6.654 382 HH TYR 46 HH TYR 46 10.879 6.085 -5.314 383 H SER 47 H SER 47 9.872 10.612 -7.879 384 HA SER 47 HA SER 47 8.494 10.734 -10.512 385 HB2 SER 47 2HB SER 47 10.964 11.103 -10.409 386 HB3 SER 47 1HB SER 47 11.153 9.468 -9.782 387 HG SER 47 HG SER 47 9.982 10.212 -12.264 388 H TYR 48 H TYR 48 7.786 8.821 -11.558 389 HA TYR 48 HA TYR 48 7.414 6.496 -9.721 390 HB2 TYR 48 2HB TYR 48 5.753 7.618 -11.966 391 HB3 TYR 48 1HB TYR 48 5.560 5.941 -11.457 392 HD1 TYR 48 2HD TYR 48 5.461 9.466 -10.253 393 HD2 TYR 48 1HD TYR 48 4.409 5.376 -9.462 394 HE1 TYR 48 2HE TYR 48 4.067 10.194 -8.335 395 HE2 TYR 48 1HE TYR 48 3.017 6.105 -7.544 396 HH TYR 48 HH TYR 48 2.190 7.836 -6.431 397 H THR 49 H THR 49 8.005 4.451 -10.412 398 HA THR 49 HA THR 49 9.960 4.280 -12.548 399 HB THR 49 HB THR 49 8.594 2.035 -11.031 400 HG1 THR 49 1HG THR 49 11.010 3.427 -10.510 401 HG21 THR 49 3HG2 THR 49 10.456 2.074 -13.194 402 HG22 THR 49 1HG2 THR 49 9.859 0.677 -12.295 403 HG23 THR 49 2HG2 THR 49 11.309 1.520 -11.754 404 H ASP 50 H ASP 50 9.715 3.218 -14.559 405 HA ASP 50 HA ASP 50 7.310 3.543 -15.952 406 HB2 ASP 50 2HB ASP 50 9.549 1.571 -16.421 407 HB3 ASP 50 1HB ASP 50 8.248 1.861 -17.575 408 H ALA 51 H ALA 51 8.418 0.754 -14.076 409 HA ALA 51 HA ALA 51 6.674 -1.252 -14.806 410 HB1 ALA 51 1HB ALA 51 7.052 -2.205 -12.728 411 HB2 ALA 51 2HB ALA 51 6.878 -0.670 -11.877 412 HB3 ALA 51 3HB ALA 51 8.360 -1.023 -12.767 413 H ASN 52 H ASN 52 5.792 0.845 -12.041 414 HA ASN 52 HA ASN 52 3.053 0.220 -12.047 415 HB2 ASN 52 2HB ASN 52 4.118 1.477 -10.228 416 HB3 ASN 52 1HB ASN 52 4.343 2.860 -11.300 417 HD21 ASN 52 1HD2 ASN 52 1.707 0.777 -9.955 418 HD22 ASN 52 2HD2 ASN 52 0.542 2.012 -9.956 419 H ILE 53 H ILE 53 4.730 2.759 -13.921 420 HA ILE 53 HA ILE 53 2.443 4.048 -14.958 421 HB ILE 53 HB ILE 53 5.079 3.506 -16.353 422 HG12 ILE 53 2HG1 ILE 53 4.195 5.886 -14.690 423 HG13 ILE 53 1HG1 ILE 53 5.265 4.610 -14.108 424 HG21 ILE 53 1HG2 ILE 53 2.887 5.540 -16.806 425 HG22 ILE 53 2HG2 ILE 53 3.405 4.275 -17.918 426 HG23 ILE 53 3HG2 ILE 53 4.480 5.625 -17.558 427 HD11 ILE 53 3HD1 ILE 53 7.014 5.682 -15.027 428 HD12 ILE 53 1HD1 ILE 53 5.938 6.924 -15.664 429 HD13 ILE 53 2HD1 ILE 53 6.283 5.481 -16.618 430 H LYS 54 H LYS 54 4.318 1.370 -16.436 431 HA LYS 54 HA LYS 54 2.487 0.935 -18.590 432 HB2 LYS 54 2HB LYS 54 4.824 0.023 -18.479 433 HB3 LYS 54 1HB LYS 54 4.274 -1.121 -17.255 434 HG2 LYS 54 2HG LYS 54 2.596 -2.003 -18.858 435 HG3 LYS 54 1HG LYS 54 3.213 -0.899 -20.085 436 HD2 LYS 54 2HD LYS 54 5.474 -1.951 -19.816 437 HD3 LYS 54 1HD LYS 54 4.744 -3.135 -18.729 438 HE2 LYS 54 2HE LYS 54 4.674 -4.241 -20.796 439 HE3 LYS 54 1HE LYS 54 3.063 -3.530 -20.691 440 HZ1 LYS 54 3HZ LYS 54 4.949 -3.126 -22.674 441 HZ2 LYS 54 1HZ LYS 54 4.881 -1.672 -21.802 442 HZ3 LYS 54 2HZ LYS 54 3.465 -2.322 -22.483 443 H LYS 55 H LYS 55 2.677 -0.378 -15.310 444 HA LYS 55 HA LYS 55 0.187 -1.930 -15.787 445 HB2 LYS 55 2HB LYS 55 2.103 -1.901 -13.432 446 HB3 LYS 55 1HB LYS 55 0.678 -2.932 -13.563 447 HG2 LYS 55 2HG LYS 55 1.618 -3.887 -15.674 448 HG3 LYS 55 1HG LYS 55 3.082 -2.939 -15.409 449 HD2 LYS 55 2HD LYS 55 3.363 -4.061 -13.198 450 HD3 LYS 55 1HD LYS 55 1.969 -5.076 -13.570 451 HE2 LYS 55 2HE LYS 55 4.550 -4.933 -15.153 452 HE3 LYS 55 1HE LYS 55 4.021 -6.276 -14.140 453 HZ1 LYS 55 3HZ LYS 55 3.347 -6.945 -16.216 454 HZ2 LYS 55 1HZ LYS 55 2.967 -5.376 -16.733 455 HZ3 LYS 55 2HZ LYS 55 1.937 -6.184 -15.650 456 H ASN 56 H ASN 56 0.361 1.087 -15.469 457 HA ASN 56 HA ASN 56 -0.437 2.067 -13.010 458 HB2 ASN 56 2HB ASN 56 -0.304 3.305 -15.275 459 HB3 ASN 56 1HB ASN 56 -1.983 2.806 -15.497 460 HD21 ASN 56 1HD2 ASN 56 -1.662 3.061 -12.218 461 HD22 ASN 56 2HD2 ASN 56 -2.129 4.677 -12.000 462 H VAL 57 H VAL 57 -2.052 1.570 -11.625 463 HA VAL 57 HA VAL 57 -4.532 0.322 -12.714 464 HB VAL 57 HB VAL 57 -3.037 -1.447 -11.827 465 HG11 VAL 57 1HG1 VAL 57 -1.935 -1.223 -9.861 466 HG12 VAL 57 2HG1 VAL 57 -3.379 -0.643 -9.029 467 HG13 VAL 57 3HG1 VAL 57 -2.381 0.482 -9.947 468 HG21 VAL 57 3HG2 VAL 57 -5.458 -0.857 -10.089 469 HG22 VAL 57 1HG2 VAL 57 -4.674 -2.430 -10.251 470 HG23 VAL 57 2HG2 VAL 57 -5.487 -1.703 -11.637 471 H LEU 58 H LEU 58 -6.415 0.681 -11.413 472 HA LEU 58 HA LEU 58 -6.423 3.207 -9.990 473 HB2 LEU 58 2HB LEU 58 -8.399 2.415 -11.244 474 HB3 LEU 58 1HB LEU 58 -8.538 1.032 -10.159 475 HG LEU 58 HG LEU 58 -8.833 2.612 -8.244 476 HD11 LEU 58 1HD1 LEU 58 -8.027 4.695 -8.655 477 HD12 LEU 58 2HD1 LEU 58 -9.608 4.980 -9.383 478 HD13 LEU 58 3HD1 LEU 58 -8.237 4.535 -10.399 479 HD21 LEU 58 3HD2 LEU 58 -10.722 2.773 -10.602 480 HD22 LEU 58 1HD2 LEU 58 -11.115 3.465 -9.028 481 HD23 LEU 58 2HD2 LEU 58 -10.843 1.729 -9.185 482 H TRP 59 H TRP 59 -6.206 3.534 -7.796 483 HA TRP 59 HA TRP 59 -5.642 1.130 -6.162 484 HB2 TRP 59 2HB TRP 59 -5.169 4.081 -5.674 485 HB3 TRP 59 1HB TRP 59 -4.786 2.815 -4.506 486 HD1 TRP 59 HD TRP 59 -3.375 4.599 -7.417 487 HE1 TRP 59 1HE TRP 59 -1.214 3.450 -8.221 488 HE3 TRP 59 3HE TRP 59 -3.675 0.227 -4.804 489 HZ2 TRP 59 2HZ TRP 59 0.201 0.999 -7.814 490 HZ3 TRP 59 3HZ TRP 59 -1.910 -1.492 -5.029 491 HH2 TRP 59 HH TRP 59 0.026 -1.113 -6.528 492 H ASP 60 H ASP 60 -7.142 0.352 -4.837 493 HA ASP 60 HA ASP 60 -9.002 2.129 -3.414 494 HB2 ASP 60 2HB ASP 60 -11.006 0.899 -4.170 495 HB3 ASP 60 1HB ASP 60 -10.195 1.670 -5.533 496 H GLU 61 H GLU 61 -10.491 0.554 -1.991 497 HA GLU 61 HA GLU 61 -8.741 -0.901 -0.295 498 HB2 GLU 61 2HB GLU 61 -11.746 -1.141 -0.608 499 HB3 GLU 61 1HB GLU 61 -10.817 -1.781 0.746 500 HG2 GLU 61 2HG GLU 61 -10.008 0.507 1.257 501 HG3 GLU 61 1HG GLU 61 -10.992 1.134 -0.066 502 H ASN 62 H ASN 62 -10.853 -2.054 -2.922 503 HA ASN 62 HA ASN 62 -10.347 -4.853 -2.417 504 HB2 ASN 62 2HB ASN 62 -12.287 -3.999 -3.732 505 HB3 ASN 62 1HB ASN 62 -11.172 -3.517 -5.011 506 HD21 ASN 62 1HD2 ASN 62 -10.445 -5.129 -6.457 507 HD22 ASN 62 2HD2 ASN 62 -10.859 -6.771 -6.321 508 H ASN 63 H ASN 63 -9.133 -2.705 -4.996 509 HA ASN 63 HA ASN 63 -7.260 -4.530 -6.076 510 HB2 ASN 63 2HB ASN 63 -8.037 -2.356 -7.104 511 HB3 ASN 63 1HB ASN 63 -6.936 -1.525 -6.003 512 HD21 ASN 63 1HD2 ASN 63 -4.970 -1.072 -6.981 513 HD22 ASN 63 2HD2 ASN 63 -4.212 -2.040 -8.151 514 H MET 64 H MET 64 -6.882 -2.174 -3.445 515 HA MET 64 HA MET 64 -4.067 -2.403 -3.148 516 HB2 MET 64 2HB MET 64 -6.251 -1.843 -1.132 517 HB3 MET 64 1HB MET 64 -4.535 -1.763 -0.733 518 HG2 MET 64 2HG MET 64 -5.575 -0.278 -3.126 519 HG3 MET 64 1HG MET 64 -5.766 0.415 -1.515 520 HE1 MET 64 3HE MET 64 -2.912 2.605 -2.004 521 HE2 MET 64 1HE MET 64 -3.964 2.094 -0.675 522 HE3 MET 64 2HE MET 64 -4.635 2.362 -2.282 523 H SER 65 H SER 65 -6.690 -4.386 -1.788 524 HA SER 65 HA SER 65 -5.062 -5.997 -0.098 525 HB2 SER 65 2HB SER 65 -7.559 -6.818 -1.607 526 HB3 SER 65 1HB SER 65 -6.882 -7.641 -0.206 527 HG SER 65 HG SER 65 -8.635 -6.061 0.166 528 H GLU 66 H GLU 66 -5.879 -6.325 -3.545 529 HA GLU 66 HA GLU 66 -4.573 -8.853 -3.916 530 HB2 GLU 66 2HB GLU 66 -5.133 -6.597 -5.864 531 HB3 GLU 66 1HB GLU 66 -4.591 -8.207 -6.328 532 HG2 GLU 66 2HG GLU 66 -7.126 -7.618 -4.775 533 HG3 GLU 66 1HG GLU 66 -7.058 -7.967 -6.503 534 H HIS 67 H HIS 67 -3.457 -5.517 -3.966 535 HA HIS 67 HA HIS 67 -0.930 -5.890 -5.192 536 HB2 HIS 67 2HB HIS 67 -2.060 -3.704 -4.579 537 HB3 HIS 67 1HB HIS 67 -1.519 -3.979 -2.923 538 HD1 HIS 67 1HD HIS 67 0.027 -3.887 -6.414 539 HD2 HIS 67 2HD HIS 67 1.009 -2.957 -2.467 540 HE1 HIS 67 1HE HIS 67 2.332 -2.844 -6.474 541 HE2 HIS 67 2HE HIS 67 2.943 -2.278 -4.081 542 H LEU 68 H LEU 68 -1.806 -6.024 -1.737 543 HA LEU 68 HA LEU 68 0.846 -6.669 -0.846 544 HB2 LEU 68 2HB LEU 68 -1.893 -6.865 0.381 545 HB3 LEU 68 1HB LEU 68 -0.489 -7.527 1.215 546 HG LEU 68 HG LEU 68 0.618 -5.368 1.191 547 HD11 LEU 68 1HD1 LEU 68 -1.703 -4.614 -0.578 548 HD12 LEU 68 2HD1 LEU 68 0.021 -4.421 -0.891 549 HD13 LEU 68 3HD1 LEU 68 -0.783 -3.389 0.292 550 HD21 LEU 68 3HD2 LEU 68 -0.914 -4.086 2.597 551 HD22 LEU 68 1HD2 LEU 68 -1.083 -5.801 2.974 552 HD23 LEU 68 2HD2 LEU 68 -2.291 -4.994 1.972 553 H THR 69 H THR 69 -1.833 -8.656 -1.997 554 HA THR 69 HA THR 69 -0.931 -11.155 -0.982 555 HB THR 69 HB THR 69 -2.323 -10.704 -3.634 556 HG1 THR 69 1HG THR 69 -4.001 -10.172 -2.514 557 HG21 THR 69 3HG2 THR 69 -1.971 -13.037 -1.759 558 HG22 THR 69 1HG2 THR 69 -1.705 -12.973 -3.502 559 HG23 THR 69 2HG2 THR 69 -3.347 -12.960 -2.860 560 H ASN 70 H ASN 70 -0.020 -9.408 -3.941 561 HA ASN 70 HA ASN 70 2.438 -11.029 -4.093 562 HB2 ASN 70 2HB ASN 70 2.021 -11.617 -6.485 563 HB3 ASN 70 1HB ASN 70 0.892 -12.400 -5.379 564 HD21 ASN 70 1HD2 ASN 70 -0.008 -12.185 -7.964 565 HD22 ASN 70 2HD2 ASN 70 -1.172 -10.957 -8.104 566 HA PRO 71 HA PRO 71 2.596 -6.488 -5.394 567 HB2 PRO 71 2HB PRO 71 4.808 -5.928 -3.820 568 HB3 PRO 71 1HB PRO 71 3.124 -5.642 -3.349 569 HG2 PRO 71 2HG PRO 71 4.950 -7.848 -2.593 570 HG3 PRO 71 1HG PRO 71 3.674 -7.058 -1.656 571 HD2 PRO 71 2HD PRO 71 3.369 -9.520 -2.780 572 HD3 PRO 71 1HD PRO 71 2.016 -8.408 -2.515 573 H ALA 72 H ALA 72 4.922 -9.100 -5.261 574 HA ALA 72 HA ALA 72 7.087 -7.849 -6.633 575 HB1 ALA 72 1HB ALA 72 6.489 -10.426 -5.680 576 HB2 ALA 72 2HB ALA 72 8.010 -9.892 -6.398 577 HB3 ALA 72 3HB ALA 72 6.765 -10.624 -7.411 578 H LYS 73 H LYS 73 4.923 -10.263 -8.135 579 HA LYS 73 HA LYS 73 5.474 -9.441 -10.803 580 HB2 LYS 73 2HB LYS 73 3.028 -10.826 -9.663 581 HB3 LYS 73 1HB LYS 73 3.394 -10.695 -11.383 582 HG2 LYS 73 2HG LYS 73 5.569 -11.851 -10.971 583 HG3 LYS 73 1HG LYS 73 5.094 -12.072 -9.285 584 HD2 LYS 73 2HD LYS 73 3.060 -13.299 -10.063 585 HD3 LYS 73 1HD LYS 73 3.654 -13.165 -11.718 586 HE2 LYS 73 2HE LYS 73 4.699 -15.136 -11.307 587 HE3 LYS 73 1HE LYS 73 5.853 -14.163 -10.393 588 HZ1 LYS 73 3HZ LYS 73 5.241 -15.582 -8.764 589 HZ2 LYS 73 1HZ LYS 73 3.717 -15.898 -9.438 590 HZ3 LYS 73 2HZ LYS 73 3.978 -14.464 -8.565 591 H TYR 74 H TYR 74 3.346 -8.149 -8.391 592 HA TYR 74 HA TYR 74 1.423 -6.802 -9.948 593 HB2 TYR 74 2HB TYR 74 1.626 -6.985 -7.396 594 HB3 TYR 74 1HB TYR 74 2.736 -5.619 -7.497 595 HD1 TYR 74 1HD TYR 74 1.903 -3.474 -8.630 596 HD2 TYR 74 2HD TYR 74 -0.705 -6.659 -7.427 597 HE1 TYR 74 1HE TYR 74 -0.015 -1.910 -8.667 598 HE2 TYR 74 2HE TYR 74 -2.630 -5.097 -7.468 599 HH TYR 74 HH TYR 74 -2.183 -1.663 -7.824 600 H ILE 75 H ILE 75 4.678 -5.659 -8.954 601 HA ILE 75 HA ILE 75 4.647 -3.829 -11.302 602 HB ILE 75 HB ILE 75 5.826 -2.149 -9.641 603 HG12 ILE 75 2HG1 ILE 75 3.986 -3.681 -7.784 604 HG13 ILE 75 1HG1 ILE 75 5.742 -3.803 -7.759 605 HG21 ILE 75 1HG2 ILE 75 3.210 -1.628 -8.926 606 HG22 ILE 75 2HG2 ILE 75 3.016 -2.592 -10.387 607 HG23 ILE 75 3HG2 ILE 75 3.973 -1.112 -10.428 608 HD11 ILE 75 3HD1 ILE 75 5.693 -1.210 -7.559 609 HD12 ILE 75 1HD1 ILE 75 5.307 -2.166 -6.129 610 HD13 ILE 75 2HD1 ILE 75 4.013 -1.434 -7.078 611 HA PRO 76 HA PRO 76 8.631 -6.141 -10.791 612 HB2 PRO 76 2HB PRO 76 8.477 -6.406 -13.702 613 HB3 PRO 76 1HB PRO 76 8.561 -7.676 -12.469 614 HG2 PRO 76 2HG PRO 76 6.350 -7.173 -13.958 615 HG3 PRO 76 1HG PRO 76 6.302 -7.869 -12.330 616 HD2 PRO 76 2HD PRO 76 5.712 -5.063 -13.195 617 HD3 PRO 76 1HD PRO 76 4.958 -6.027 -11.906 618 H GLY 77 H GLY 77 10.627 -5.139 -11.016 619 HA2 GLY 77 2HA GLY 77 12.264 -3.800 -12.161 620 HA3 GLY 77 1HA GLY 77 10.973 -3.100 -13.130 621 H THR 78 H THR 78 9.910 -3.104 -9.967 622 HA THR 78 HA THR 78 10.666 -0.240 -9.707 623 HB THR 78 HB THR 78 8.239 -0.995 -9.574 624 HG1 THR 78 1HG THR 78 7.927 0.681 -8.338 625 HG21 THR 78 3HG2 THR 78 7.548 -2.451 -7.999 626 HG22 THR 78 1HG2 THR 78 8.499 -1.669 -6.741 627 HG23 THR 78 2HG2 THR 78 9.246 -2.867 -7.798 628 H LYS 79 H LYS 79 11.026 0.474 -7.335 629 HA LYS 79 HA LYS 79 13.133 -1.274 -6.231 630 HB2 LYS 79 2HB LYS 79 12.273 1.537 -5.487 631 HB3 LYS 79 1HB LYS 79 13.667 0.693 -4.816 632 HG2 LYS 79 2HG LYS 79 14.577 0.457 -7.135 633 HG3 LYS 79 1HG LYS 79 13.234 1.438 -7.723 634 HD2 LYS 79 2HD LYS 79 15.179 2.362 -5.592 635 HD3 LYS 79 1HD LYS 79 15.352 2.742 -7.306 636 HE2 LYS 79 2HE LYS 79 12.918 3.627 -7.138 637 HE3 LYS 79 1HE LYS 79 13.190 3.623 -5.396 638 HZ1 LYS 79 3HZ LYS 79 14.324 5.497 -5.586 639 HZ2 LYS 79 1HZ LYS 79 14.007 5.531 -7.252 640 HZ3 LYS 79 2HZ LYS 79 15.412 4.773 -6.672 641 H MET 80 H MET 80 9.990 -1.515 -5.854 642 HA MET 80 HA MET 80 9.667 -1.243 -2.976 643 HB2 MET 80 2HB MET 80 7.769 -1.164 -4.639 644 HB3 MET 80 1HB MET 80 7.988 -2.895 -4.886 645 HG2 MET 80 2HG MET 80 6.995 -3.423 -2.911 646 HG3 MET 80 1HG MET 80 7.791 -2.106 -2.052 647 HE1 MET 80 3HE MET 80 4.478 -3.384 -3.533 648 HE2 MET 80 1HE MET 80 3.583 -2.313 -2.447 649 HE3 MET 80 2HE MET 80 4.901 -3.299 -1.826 650 H ALA 81 H ALA 81 10.463 -2.638 -1.492 651 HA ALA 81 HA ALA 81 11.155 -5.409 -2.385 652 HB1 ALA 81 1HB ALA 81 13.004 -3.837 -1.571 653 HB2 ALA 81 2HB ALA 81 12.913 -5.411 -0.781 654 HB3 ALA 81 3HB ALA 81 12.274 -3.980 0.028 655 H PHE 82 H PHE 82 8.510 -4.483 -1.391 656 HA PHE 82 HA PHE 82 8.335 -5.669 1.311 657 HB2 PHE 82 2HB PHE 82 7.002 -3.632 0.661 658 HB3 PHE 82 1HB PHE 82 6.110 -4.644 -0.469 659 HD1 PHE 82 1HD PHE 82 6.861 -4.071 3.115 660 HD2 PHE 82 2HD PHE 82 4.445 -6.198 0.280 661 HE1 PHE 82 1HE PHE 82 5.357 -4.810 4.945 662 HE2 PHE 82 2HE PHE 82 2.943 -6.940 2.107 663 HZ PHE 82 HZ PHE 82 3.400 -6.243 4.442 664 H GLY 83 H GLY 83 7.709 -7.759 1.666 665 HA2 GLY 83 2HA GLY 83 7.169 -9.462 -0.674 666 HA3 GLY 83 1HA GLY 83 7.397 -10.023 0.984 667 H GLY 84 H GLY 84 5.324 -11.202 -0.196 668 HA2 GLY 84 2HA GLY 84 2.885 -9.604 0.307 669 HA3 GLY 84 1HA GLY 84 2.930 -11.203 -0.441 670 H LEU 85 H LEU 85 1.164 -10.520 1.707 671 HA LEU 85 HA LEU 85 2.374 -11.906 4.052 672 HB2 LEU 85 2HB LEU 85 -0.294 -10.474 3.832 673 HB3 LEU 85 1HB LEU 85 0.460 -11.064 5.313 674 HG LEU 85 HG LEU 85 1.542 -8.898 3.487 675 HD11 LEU 85 1HD1 LEU 85 0.586 -8.793 6.363 676 HD12 LEU 85 2HD1 LEU 85 -0.358 -8.253 4.975 677 HD13 LEU 85 3HD1 LEU 85 1.144 -7.429 5.395 678 HD21 LEU 85 3HD2 LEU 85 3.156 -8.722 5.562 679 HD22 LEU 85 1HD2 LEU 85 3.482 -9.915 4.305 680 HD23 LEU 85 2HD2 LEU 85 2.707 -10.409 5.810 681 H LYS 86 H LYS 86 1.940 -14.034 4.299 682 HA LYS 86 HA LYS 86 0.198 -15.477 2.542 683 HB2 LYS 86 2HB LYS 86 1.349 -16.278 5.234 684 HB3 LYS 86 1HB LYS 86 0.593 -17.384 4.087 685 HG2 LYS 86 2HG LYS 86 2.293 -16.629 2.374 686 HG3 LYS 86 1HG LYS 86 3.114 -15.759 3.670 687 HD2 LYS 86 2HD LYS 86 2.520 -18.734 3.698 688 HD3 LYS 86 1HD LYS 86 4.081 -18.027 3.282 689 HE2 LYS 86 2HE LYS 86 3.592 -16.782 5.654 690 HE3 LYS 86 1HE LYS 86 2.792 -18.331 5.930 691 HZ1 LYS 86 3HZ LYS 86 5.266 -18.137 6.474 692 HZ2 LYS 86 1HZ LYS 86 5.514 -18.205 4.797 693 HZ3 LYS 86 2HZ LYS 86 4.751 -19.496 5.594 694 H LYS 87 H LYS 87 -0.273 -14.142 5.796 695 HA LYS 87 HA LYS 87 -2.957 -15.350 5.947 696 HB2 LYS 87 2HB LYS 87 -1.451 -13.538 7.850 697 HB3 LYS 87 1HB LYS 87 -3.054 -14.204 8.165 698 HG2 LYS 87 2HG LYS 87 -2.093 -16.504 7.842 699 HG3 LYS 87 1HG LYS 87 -0.494 -15.764 7.736 700 HD2 LYS 87 2HD LYS 87 -0.865 -14.740 9.983 701 HD3 LYS 87 1HD LYS 87 -2.393 -15.615 10.091 702 HE2 LYS 87 2HE LYS 87 -1.134 -17.755 9.789 703 HE3 LYS 87 1HE LYS 87 0.370 -16.836 9.834 704 HZ1 LYS 87 3HZ LYS 87 -0.116 -17.701 12.006 705 HZ2 LYS 87 1HZ LYS 87 -1.662 -17.001 11.992 706 HZ3 LYS 87 2HZ LYS 87 -0.283 -16.010 12.035 707 H GLU 88 H GLU 88 -4.764 -14.321 5.339 708 HA GLU 88 HA GLU 88 -4.638 -11.666 4.166 709 HB2 GLU 88 2HB GLU 88 -6.987 -13.483 4.781 710 HB3 GLU 88 1HB GLU 88 -7.098 -11.981 3.863 711 HG2 GLU 88 2HG GLU 88 -5.458 -12.882 2.229 712 HG3 GLU 88 1HG GLU 88 -5.427 -14.400 3.125 713 H LYS 89 H LYS 89 -5.592 -12.988 7.275 714 HA LYS 89 HA LYS 89 -7.225 -10.905 8.244 715 HB2 LYS 89 2HB LYS 89 -5.186 -12.581 9.738 716 HB3 LYS 89 1HB LYS 89 -6.425 -11.588 10.508 717 HG2 LYS 89 2HG LYS 89 -8.170 -12.875 9.269 718 HG3 LYS 89 1HG LYS 89 -6.901 -13.921 8.633 719 HD2 LYS 89 2HD LYS 89 -6.246 -14.488 10.974 720 HD3 LYS 89 1HD LYS 89 -7.604 -13.526 11.556 721 HE2 LYS 89 2HE LYS 89 -9.158 -15.082 10.913 722 HE3 LYS 89 1HE LYS 89 -8.236 -15.564 9.487 723 HZ1 LYS 89 3HZ LYS 89 -8.379 -17.235 11.350 724 HZ2 LYS 89 1HZ LYS 89 -7.356 -16.214 12.237 725 HZ3 LYS 89 2HZ LYS 89 -6.818 -16.890 10.775 726 H ASP 90 H ASP 90 -3.646 -11.154 8.411 727 HA ASP 90 HA ASP 90 -3.296 -8.635 9.733 728 HB2 ASP 90 2HB ASP 90 -1.428 -10.154 7.880 729 HB3 ASP 90 1HB ASP 90 -0.961 -8.783 8.882 730 H ARG 91 H ARG 91 -3.467 -9.579 6.329 731 HA ARG 91 HA ARG 91 -2.755 -7.075 5.185 732 HB2 ARG 91 2HB ARG 91 -2.950 -9.203 3.917 733 HB3 ARG 91 1HB ARG 91 -4.702 -9.131 4.107 734 HG2 ARG 91 2HG ARG 91 -4.758 -6.982 2.916 735 HG3 ARG 91 1HG ARG 91 -3.003 -7.023 2.743 736 HD2 ARG 91 2HD ARG 91 -3.943 -7.834 0.682 737 HD3 ARG 91 1HD ARG 91 -3.261 -9.222 1.528 738 HE ARG 91 HE ARG 91 -6.113 -8.746 2.048 739 HH11 ARG 91 1HH2 ARG 91 -3.669 -10.294 0.173 740 HH12 ARG 91 2HH2 ARG 91 -4.705 -11.575 -0.364 741 HH21 ARG 91 1HH1 ARG 91 -7.479 -10.409 1.360 742 HH22 ARG 91 2HH1 ARG 91 -6.862 -11.639 0.308 743 H ASN 92 H ASN 92 -5.957 -8.341 6.156 744 HA ASN 92 HA ASN 92 -7.497 -6.163 5.185 745 HB2 ASN 92 2HB ASN 92 -8.417 -8.319 6.104 746 HB3 ASN 92 1HB ASN 92 -8.032 -7.732 7.723 747 HD21 ASN 92 1HD2 ASN 92 -9.917 -6.822 4.792 748 HD22 ASN 92 2HD2 ASN 92 -11.101 -5.952 5.642 749 H ASP 93 H ASP 93 -5.986 -6.631 8.390 750 HA ASP 93 HA ASP 93 -6.833 -4.094 9.429 751 HB2 ASP 93 2HB ASP 93 -4.511 -5.893 10.176 752 HB3 ASP 93 1HB ASP 93 -5.016 -4.488 11.109 753 H LEU 94 H LEU 94 -3.911 -5.167 7.715 754 HA LEU 94 HA LEU 94 -2.379 -2.806 8.017 755 HB2 LEU 94 2HB LEU 94 -1.644 -5.014 7.004 756 HB3 LEU 94 1HB LEU 94 -2.449 -4.516 5.519 757 HG LEU 94 HG LEU 94 -0.388 -2.786 6.903 758 HD11 LEU 94 1HD1 LEU 94 1.321 -3.704 5.531 759 HD12 LEU 94 2HD1 LEU 94 0.161 -4.599 4.551 760 HD13 LEU 94 3HD1 LEU 94 0.478 -5.092 6.215 761 HD21 LEU 94 3HD2 LEU 94 -1.256 -1.357 5.356 762 HD22 LEU 94 1HD2 LEU 94 -1.977 -2.655 4.406 763 HD23 LEU 94 2HD2 LEU 94 -0.270 -2.272 4.219 764 H ILE 95 H ILE 95 -4.766 -3.646 5.477 765 HA ILE 95 HA ILE 95 -4.483 -1.162 4.059 766 HB ILE 95 HB ILE 95 -6.901 -2.975 4.243 767 HG12 ILE 95 2HG1 ILE 95 -4.663 -2.902 2.195 768 HG13 ILE 95 1HG1 ILE 95 -4.813 -4.110 3.471 769 HG21 ILE 95 1HG2 ILE 95 -6.553 -0.434 3.038 770 HG22 ILE 95 2HG2 ILE 95 -7.912 -1.538 2.837 771 HG23 ILE 95 3HG2 ILE 95 -6.542 -1.614 1.729 772 HD11 ILE 95 3HD1 ILE 95 -6.301 -5.286 2.257 773 HD12 ILE 95 1HD1 ILE 95 -6.013 -4.178 0.915 774 HD13 ILE 95 2HD1 ILE 95 -7.318 -3.860 2.054 775 H THR 96 H THR 96 -6.478 -2.219 6.758 776 HA THR 96 HA THR 96 -8.229 -0.016 6.952 777 HB THR 96 HB THR 96 -7.012 -1.532 9.275 778 HG1 THR 96 1HG THR 96 -8.514 -3.069 8.888 779 HG21 THR 96 3HG2 THR 96 -9.555 0.044 8.860 780 HG22 THR 96 1HG2 THR 96 -8.300 0.304 10.073 781 HG23 THR 96 2HG2 THR 96 -9.359 -1.102 10.187 782 H TYR 97 H TYR 97 -4.925 -0.440 8.241 783 HA TYR 97 HA TYR 97 -4.836 2.020 9.698 784 HB2 TYR 97 2HB TYR 97 -3.152 0.178 9.904 785 HB3 TYR 97 1HB TYR 97 -2.532 0.616 8.312 786 HD1 TYR 97 1HD TYR 97 -3.025 1.823 11.788 787 HD2 TYR 97 2HD TYR 97 -1.135 2.536 7.999 788 HE1 TYR 97 1HE TYR 97 -1.627 3.595 12.818 789 HE2 TYR 97 2HE TYR 97 0.261 4.309 9.028 790 HH TYR 97 HH TYR 97 -0.401 5.744 11.880 791 H LEU 98 H LEU 98 -3.658 1.262 6.392 792 HA LEU 98 HA LEU 98 -3.033 4.005 5.768 793 HB2 LEU 98 2HB LEU 98 -3.665 1.648 3.964 794 HB3 LEU 98 1HB LEU 98 -3.054 3.201 3.391 795 HG LEU 98 HG LEU 98 -1.648 1.386 5.377 796 HD11 LEU 98 1HD1 LEU 98 -1.691 1.524 2.458 797 HD12 LEU 98 2HD1 LEU 98 -0.991 0.292 3.508 798 HD13 LEU 98 3HD1 LEU 98 -0.066 1.742 3.111 799 HD21 LEU 98 3HD2 LEU 98 0.219 3.134 4.496 800 HD22 LEU 98 1HD2 LEU 98 -0.762 3.432 5.932 801 HD23 LEU 98 2HD2 LEU 98 -1.213 4.160 4.391 802 H LYS 99 H LYS 99 -5.918 2.026 5.542 803 HA LYS 99 HA LYS 99 -7.514 3.637 3.864 804 HB2 LYS 99 2HB LYS 99 -8.148 1.385 4.782 805 HB3 LYS 99 1HB LYS 99 -8.419 2.150 6.347 806 HG2 LYS 99 2HG LYS 99 -10.086 3.664 5.263 807 HG3 LYS 99 1HG LYS 99 -9.884 2.748 3.770 808 HD2 LYS 99 2HD LYS 99 -10.607 0.696 4.909 809 HD3 LYS 99 1HD LYS 99 -10.781 1.586 6.422 810 HE2 LYS 99 2HE LYS 99 -12.782 1.213 4.543 811 HE3 LYS 99 1HE LYS 99 -12.786 2.434 5.815 812 HZ1 LYS 99 3HZ LYS 99 -11.657 3.949 4.289 813 HZ2 LYS 99 1HZ LYS 99 -13.158 3.451 3.675 814 HZ3 LYS 99 2HZ LYS 99 -11.724 2.776 3.062 815 H LYS 100 H LYS 100 -6.947 3.846 7.374 816 HA LYS 100 HA LYS 100 -8.715 6.013 7.907 817 HB2 LYS 100 2HB LYS 100 -7.613 4.602 9.645 818 HB3 LYS 100 1HB LYS 100 -6.080 5.386 9.266 819 HG2 LYS 100 2HG LYS 100 -7.116 7.589 9.817 820 HG3 LYS 100 1HG LYS 100 -8.581 6.739 10.313 821 HD2 LYS 100 2HD LYS 100 -7.163 5.409 11.918 822 HD3 LYS 100 1HD LYS 100 -5.822 6.482 11.528 823 HE2 LYS 100 2HE LYS 100 -7.624 8.363 12.085 824 HE3 LYS 100 1HE LYS 100 -8.332 7.064 13.045 825 HZ1 LYS 100 3HZ LYS 100 -5.821 6.804 13.770 826 HZ2 LYS 100 1HZ LYS 100 -6.874 7.876 14.555 827 HZ3 LYS 100 2HZ LYS 100 -5.789 8.457 13.384 828 H ALA 101 H ALA 101 -5.331 5.935 6.882 829 HA ALA 101 HA ALA 101 -4.768 8.707 7.095 830 HB1 ALA 101 1HB ALA 101 -3.376 6.495 6.247 831 HB2 ALA 101 2HB ALA 101 -2.798 8.155 6.107 832 HB3 ALA 101 3HB ALA 101 -3.599 7.382 4.739 833 H THR 102 H THR 102 -6.645 6.938 4.728 834 HA THR 102 HA THR 102 -6.598 8.714 2.550 835 HB THR 102 HB THR 102 -7.896 6.447 2.929 836 HG1 THR 102 1HG THR 102 -8.298 8.598 1.269 837 HG21 THR 102 3HG2 THR 102 -10.135 8.430 3.368 838 HG22 THR 102 1HG2 THR 102 -9.365 7.564 4.697 839 HG23 THR 102 2HG2 THR 102 -10.215 6.670 3.438 840 H GLU 103 H GLU 103 -8.480 8.924 5.558 841 HA GLU 103 HA GLU 103 -10.178 11.061 4.945 842 HB2 GLU 103 2HB GLU 103 -10.120 9.826 7.127 843 HB3 GLU 103 1HB GLU 103 -8.662 10.724 7.550 844 HG2 GLU 103 2HG GLU 103 -9.930 12.852 7.258 845 HG3 GLU 103 1HG GLU 103 -11.388 11.909 6.953 846 HHA HEC 201 HA HEC 104 4.813 2.894 -5.575 847 HHB HEC 201 HB HEC 104 1.168 0.041 -1.268 848 HHC HEC 201 HC HEC 104 6.303 -1.449 2.081 849 HHD HEC 201 HD HEC 104 9.966 1.230 -2.337 850 HMA1 HEC 201 1HMA HEC 104 -0.234 0.833 -3.688 851 HMA2 HEC 201 2HMA HEC 104 -0.009 2.577 -3.825 852 HMA3 HEC 201 3HMA HEC 104 0.061 1.800 -2.242 853 HAA1 HEC 201 1HAA HEC 104 2.610 1.718 -6.506 854 HAA2 HEC 201 2HAA HEC 104 1.044 2.209 -5.885 855 HBA1 HEC 201 1HBA HEC 104 2.966 3.855 -7.094 856 HBA2 HEC 201 2HBA HEC 104 3.009 4.270 -5.381 857 HMB1 HEC 201 1HMB HEC 104 0.559 -1.182 1.276 858 HMB2 HEC 201 2HMB HEC 104 0.959 -2.004 -0.229 859 HMB3 HEC 201 3HMB HEC 104 1.418 -2.721 1.309 860 HAB HEC 201 HAB HEC 104 4.516 -2.252 3.200 861 HBB1 HEC 201 1HBB HEC 104 2.260 -3.057 3.332 862 HBB2 HEC 201 2HBB HEC 104 1.609 -1.420 3.242 863 HBB3 HEC 201 3HBB HEC 104 2.485 -1.941 4.672 864 HMC1 HEC 201 1HMC HEC 104 8.945 -2.731 1.387 865 HMC2 HEC 201 2HMC HEC 104 8.477 -1.696 2.735 866 HMC3 HEC 201 3HMC HEC 104 10.100 -1.586 2.057 867 HAC HEC 201 HAC HEC 104 11.057 1.156 -0.435 868 HBC1 HEC 201 1HBC HEC 104 12.422 -0.909 0.847 869 HBC2 HEC 201 2HBC HEC 104 11.220 -1.735 -0.144 870 HBC3 HEC 201 3HBC HEC 104 12.366 -0.623 -0.893 871 HMD1 HEC 201 1HMD HEC 104 10.624 2.423 -4.175 872 HMD2 HEC 201 2HMD HEC 104 9.973 2.880 -5.748 873 HMD3 HEC 201 3HMD HEC 104 10.037 1.180 -5.282 874 HAD1 HEC 201 1HAD HEC 104 8.266 4.379 -5.980 875 HAD2 HEC 201 2HAD HEC 104 6.512 4.401 -5.882 876 HBD1 HEC 201 1HBD HEC 104 8.079 2.426 -7.554 877 HBD2 HEC 201 2HBD HEC 104 6.332 2.665 -7.553 Start of MODEL 11 1 H1 THR -5 1HT THR -5 -17.903 -1.473 2.271 2 H2 THR -5 2HT THR -5 -18.357 -2.868 1.415 3 H3 THR -5 3HT THR -5 -16.990 -1.982 0.935 4 HA THR -5 HA THR -5 -15.916 -2.516 3.069 5 HB THR -5 HB THR -5 -16.919 -4.163 4.515 6 HG1 THR -5 1HG THR -5 -19.087 -4.239 2.696 7 HG21 THR -5 1HG2 THR -5 -19.055 -2.174 3.701 8 HG22 THR -5 2HG2 THR -5 -17.703 -1.817 4.776 9 HG23 THR -5 3HG2 THR -5 -18.928 -2.990 5.260 10 H GLU -4 H GLU -4 -14.579 -3.119 1.225 11 HA GLU -4 HA GLU -4 -15.008 -5.461 -0.349 12 HB2 GLU -4 2HB GLU -4 -12.428 -4.062 0.420 13 HB3 GLU -4 1HB GLU -4 -12.552 -5.314 -0.816 14 HG2 GLU -4 2HG GLU -4 -14.075 -2.690 -0.843 15 HG3 GLU -4 1HG GLU -4 -12.633 -3.034 -1.800 16 H PHE -3 H PHE -3 -13.573 -4.988 2.829 17 HA PHE -3 HA PHE -3 -13.238 -7.948 3.024 18 HB2 PHE -3 2HB PHE -3 -11.390 -7.487 4.635 19 HB3 PHE -3 1HB PHE -3 -11.052 -6.913 3.003 20 HD1 PHE -3 1HD PHE -3 -11.092 -4.517 2.467 21 HD2 PHE -3 2HD PHE -3 -11.790 -5.934 6.456 22 HE1 PHE -3 1HE PHE -3 -10.730 -2.224 3.344 23 HE2 PHE -3 2HE PHE -3 -11.429 -3.641 7.333 24 HZ PHE -3 HZ PHE -3 -10.899 -1.789 5.780 25 H LYS -2 H LYS -2 -13.281 -8.658 5.412 26 HA LYS -2 HA LYS -2 -15.792 -8.196 6.524 27 HB2 LYS -2 2HB LYS -2 -14.315 -10.041 7.210 28 HB3 LYS -2 1HB LYS -2 -13.248 -8.893 8.016 29 HG2 LYS -2 2HG LYS -2 -15.027 -8.246 9.551 30 HG3 LYS -2 1HG LYS -2 -16.175 -9.283 8.700 31 HD2 LYS -2 2HD LYS -2 -15.411 -10.478 10.661 32 HD3 LYS -2 1HD LYS -2 -14.693 -11.246 9.244 33 HE2 LYS -2 2HE LYS -2 -12.571 -10.329 9.664 34 HE3 LYS -2 1HE LYS -2 -13.223 -9.055 10.696 35 HZ1 LYS -2 3HZ LYS -2 -12.300 -10.583 12.167 36 HZ2 LYS -2 1HZ LYS -2 -12.879 -11.924 11.307 37 HZ3 LYS -2 2HZ LYS -2 -13.957 -10.957 12.196 38 H ALA -1 H ALA -1 -12.758 -6.710 7.763 39 HA ALA -1 HA ALA -1 -13.562 -4.087 8.022 40 HB1 ALA -1 1HB ALA -1 -14.922 -5.850 9.991 41 HB2 ALA -1 2HB ALA -1 -15.458 -4.320 9.296 42 HB3 ALA -1 3HB ALA -1 -14.285 -4.328 10.612 43 H GLY 1 H GLY 1 -11.269 -5.999 8.095 44 HA2 GLY 1 2HA GLY 1 -9.796 -6.188 10.395 45 HA3 GLY 1 1HA GLY 1 -9.046 -5.744 8.860 46 H SER 2 H SER 2 -10.093 -4.588 11.942 47 HA SER 2 HA SER 2 -8.979 -1.896 11.260 48 HB2 SER 2 2HB SER 2 -10.688 -0.810 12.500 49 HB3 SER 2 1HB SER 2 -11.539 -2.011 11.533 50 HG SER 2 HG SER 2 -10.704 -3.122 13.820 51 H ALA 3 H ALA 3 -7.646 -4.202 12.449 52 HA ALA 3 HA ALA 3 -7.386 -3.391 15.291 53 HB1 ALA 3 1HB ALA 3 -7.651 -5.849 14.449 54 HB2 ALA 3 2HB ALA 3 -6.469 -5.507 15.713 55 HB3 ALA 3 3HB ALA 3 -5.940 -5.714 14.044 56 H LYS 4 H LYS 4 -5.370 -2.831 16.182 57 HA LYS 4 HA LYS 4 -3.674 -1.192 14.627 58 HB2 LYS 4 2HB LYS 4 -3.841 -1.144 17.123 59 HB3 LYS 4 1HB LYS 4 -2.932 -2.655 17.178 60 HG2 LYS 4 2HG LYS 4 -1.063 -1.548 15.972 61 HG3 LYS 4 1HG LYS 4 -1.964 -0.033 16.001 62 HD2 LYS 4 2HD LYS 4 -2.026 -0.178 18.502 63 HD3 LYS 4 1HD LYS 4 -0.984 -1.600 18.404 64 HE2 LYS 4 2HE LYS 4 0.468 0.267 18.786 65 HE3 LYS 4 1HE LYS 4 0.650 -0.160 17.084 66 HZ1 LYS 4 3HZ LYS 4 -0.708 2.146 18.289 67 HZ2 LYS 4 1HZ LYS 4 -1.276 1.550 16.806 68 HZ3 LYS 4 2HZ LYS 4 0.331 2.085 16.945 69 H LYS 5 H LYS 5 -3.631 -4.658 15.118 70 HA LYS 5 HA LYS 5 -0.996 -5.361 14.611 71 HB2 LYS 5 2HB LYS 5 -3.484 -6.603 13.392 72 HB3 LYS 5 1HB LYS 5 -1.892 -7.361 13.415 73 HG2 LYS 5 2HG LYS 5 -1.896 -7.202 15.909 74 HG3 LYS 5 1HG LYS 5 -3.540 -6.567 15.832 75 HD2 LYS 5 2HD LYS 5 -4.240 -8.643 14.629 76 HD3 LYS 5 1HD LYS 5 -2.612 -9.283 14.855 77 HE2 LYS 5 2HE LYS 5 -4.545 -8.491 17.053 78 HE3 LYS 5 1HE LYS 5 -4.077 -10.135 16.619 79 HZ1 LYS 5 3HZ LYS 5 -1.731 -8.722 17.011 80 HZ2 LYS 5 1HZ LYS 5 -2.382 -9.932 18.007 81 HZ3 LYS 5 2HZ LYS 5 -2.747 -8.300 18.305 82 H GLY 6 H GLY 6 -3.449 -4.591 12.094 83 HA2 GLY 6 2HA GLY 6 -1.642 -4.771 9.895 84 HA3 GLY 6 1HA GLY 6 -3.128 -3.819 9.901 85 H ALA 7 H ALA 7 -2.367 -2.157 12.164 86 HA ALA 7 HA ALA 7 -0.997 -0.067 10.776 87 HB1 ALA 7 1HB ALA 7 -1.089 1.146 12.834 88 HB2 ALA 7 2HB ALA 7 -1.173 -0.337 13.783 89 HB3 ALA 7 3HB ALA 7 -2.548 0.155 12.797 90 H THR 8 H THR 8 0.127 -2.258 13.369 91 HA THR 8 HA THR 8 2.806 -1.293 13.433 92 HB THR 8 HB THR 8 1.893 -4.138 13.959 93 HG1 THR 8 1HG THR 8 0.608 -2.664 15.103 94 HG21 THR 8 3HG2 THR 8 4.235 -2.443 14.795 95 HG22 THR 8 1HG2 THR 8 4.248 -4.036 14.043 96 HG23 THR 8 2HG2 THR 8 3.747 -3.861 15.723 97 H LEU 9 H LEU 9 1.211 -3.787 11.469 98 HA LEU 9 HA LEU 9 3.479 -4.883 10.191 99 HB2 LEU 9 2HB LEU 9 1.105 -5.669 9.893 100 HB3 LEU 9 1HB LEU 9 0.811 -4.254 8.885 101 HG LEU 9 HG LEU 9 2.972 -5.143 7.609 102 HD11 LEU 9 1HD1 LEU 9 3.271 -7.494 7.693 103 HD12 LEU 9 2HD1 LEU 9 1.764 -7.733 8.577 104 HD13 LEU 9 3HD1 LEU 9 3.151 -7.000 9.383 105 HD21 LEU 9 3HD2 LEU 9 0.319 -6.567 7.262 106 HD22 LEU 9 1HD2 LEU 9 1.520 -6.214 6.021 107 HD23 LEU 9 2HD2 LEU 9 0.592 -4.903 6.743 108 H PHE 10 H PHE 10 1.620 -1.959 9.489 109 HA PHE 10 HA PHE 10 3.021 -1.152 7.135 110 HB2 PHE 10 2HB PHE 10 0.873 -0.156 8.004 111 HB3 PHE 10 1HB PHE 10 1.805 0.626 9.276 112 HD1 PHE 10 1HD PHE 10 1.288 0.432 5.604 113 HD2 PHE 10 2HD PHE 10 3.119 2.573 8.846 114 HE1 PHE 10 1HE PHE 10 1.833 2.300 4.066 115 HE2 PHE 10 2HE PHE 10 3.658 4.437 7.304 116 HZ PHE 10 HZ PHE 10 3.028 4.296 4.919 117 H LYS 11 H LYS 11 3.504 -0.388 10.568 118 HA LYS 11 HA LYS 11 5.827 1.249 10.236 119 HB2 LYS 11 2HB LYS 11 4.363 1.032 12.315 120 HB3 LYS 11 1HB LYS 11 5.189 -0.493 12.626 121 HG2 LYS 11 2HG LYS 11 7.368 0.691 12.618 122 HG3 LYS 11 1HG LYS 11 6.522 2.218 12.369 123 HD2 LYS 11 2HD LYS 11 5.245 1.786 14.489 124 HD3 LYS 11 1HD LYS 11 6.269 0.375 14.760 125 HE2 LYS 11 2HE LYS 11 8.232 1.710 14.963 126 HE3 LYS 11 1HE LYS 11 7.419 3.134 14.312 127 HZ1 LYS 11 3HZ LYS 11 6.980 1.832 16.935 128 HZ2 LYS 11 1HZ LYS 11 5.903 2.971 16.287 129 HZ3 LYS 11 2HZ LYS 11 7.506 3.418 16.631 130 H THR 12 H THR 12 5.395 -2.231 10.704 131 HA THR 12 HA THR 12 8.171 -2.846 11.079 132 HB THR 12 HB THR 12 7.514 -5.158 10.714 133 HG1 THR 12 1HG THR 12 5.405 -3.897 9.400 134 HG21 THR 12 3HG2 THR 12 6.677 -4.936 12.794 135 HG22 THR 12 1HG2 THR 12 5.092 -4.748 12.042 136 HG23 THR 12 2HG2 THR 12 6.053 -3.324 12.442 137 H ARG 13 H ARG 13 6.173 -2.646 8.127 138 HA ARG 13 HA ARG 13 8.677 -2.592 6.568 139 HB2 ARG 13 2HB ARG 13 6.533 -4.689 6.154 140 HB3 ARG 13 1HB ARG 13 7.822 -4.355 4.999 141 HG2 ARG 13 2HG ARG 13 9.485 -4.822 6.832 142 HG3 ARG 13 1HG ARG 13 8.140 -5.336 7.849 143 HD2 ARG 13 2HD ARG 13 7.514 -6.994 6.063 144 HD3 ARG 13 1HD ARG 13 9.003 -6.567 5.221 145 HE ARG 13 HE ARG 13 10.207 -7.812 6.828 146 HH11 ARG 13 1HH2 ARG 13 6.990 -7.112 7.850 147 HH12 ARG 13 2HH2 ARG 13 7.075 -8.120 9.255 148 HH21 ARG 13 1HH1 ARG 13 10.337 -9.132 8.657 149 HH22 ARG 13 2HH1 ARG 13 8.970 -9.263 9.713 150 H CYS 14 H CYS 14 7.324 -0.354 6.686 151 HA CYS 14 HA CYS 14 6.369 0.062 4.006 152 HB2 CYS 14 2HB CYS 14 4.416 -1.123 5.307 153 HB3 CYS 14 1HB CYS 14 4.182 0.476 6.010 154 H LEU 15 H LEU 15 6.068 1.299 7.341 155 HA LEU 15 HA LEU 15 5.799 4.037 6.686 156 HB2 LEU 15 2HB LEU 15 5.498 3.124 8.971 157 HB3 LEU 15 1HB LEU 15 7.234 2.842 9.074 158 HG LEU 15 HG LEU 15 7.496 5.364 8.579 159 HD11 LEU 15 1HD1 LEU 15 5.290 5.932 7.828 160 HD12 LEU 15 2HD1 LEU 15 5.479 6.673 9.415 161 HD13 LEU 15 3HD1 LEU 15 4.549 5.185 9.245 162 HD21 LEU 15 3HD2 LEU 15 6.718 5.862 11.040 163 HD22 LEU 15 1HD2 LEU 15 8.051 4.742 10.753 164 HD23 LEU 15 2HD2 LEU 15 6.435 4.122 11.094 165 H GLN 16 H GLN 16 8.714 2.045 6.989 166 HA GLN 16 HA GLN 16 10.640 4.120 6.879 167 HB2 GLN 16 2HB GLN 16 10.764 1.310 5.745 168 HB3 GLN 16 1HB GLN 16 12.156 2.375 5.940 169 HG2 GLN 16 2HG GLN 16 11.757 2.488 8.359 170 HG3 GLN 16 1HG GLN 16 10.334 1.461 8.184 171 HE21 GLN 16 1HE2 GLN 16 12.501 0.625 9.830 172 HE22 GLN 16 2HE2 GLN 16 13.262 -0.704 9.096 173 H CYS 17 H CYS 17 8.803 2.551 4.292 174 HA CYS 17 HA CYS 17 10.256 4.167 2.274 175 HB2 CYS 17 2HB CYS 17 8.172 1.990 1.992 176 HB3 CYS 17 1HB CYS 17 8.932 2.828 0.638 177 H HIS 18 H HIS 18 6.930 3.698 3.489 178 HA HIS 18 HA HIS 18 6.144 6.154 1.972 179 HB2 HIS 18 2HB HIS 18 4.506 3.850 3.077 180 HB3 HIS 18 1HB HIS 18 3.792 5.321 2.408 181 HD1 HIS 18 1HD HIS 18 4.586 5.853 -0.190 182 HD2 HIS 18 2HD HIS 18 5.122 1.963 1.199 183 HE1 HIS 18 1HE HIS 18 4.834 4.382 -2.247 184 H THR 19 H THR 19 5.869 7.976 3.160 185 HA THR 19 HA THR 19 5.804 7.774 6.106 186 HB THR 19 HB THR 19 6.167 10.167 6.093 187 HG1 THR 19 1HG THR 19 4.834 10.854 4.495 188 HG21 THR 19 3HG2 THR 19 7.985 8.441 5.245 189 HG22 THR 19 1HG2 THR 19 8.296 10.175 5.177 190 HG23 THR 19 2HG2 THR 19 7.788 9.311 3.724 191 H VAL 20 H VAL 20 3.603 8.190 3.493 192 HA VAL 20 HA VAL 20 1.282 8.525 3.467 193 HB VAL 20 HB VAL 20 1.306 8.222 6.466 194 HG11 VAL 20 1HG1 VAL 20 -0.592 7.195 4.339 195 HG12 VAL 20 2HG1 VAL 20 -0.812 8.723 5.193 196 HG13 VAL 20 3HG1 VAL 20 -0.854 7.200 6.083 197 HG21 VAL 20 3HG2 VAL 20 1.086 5.707 5.874 198 HG22 VAL 20 1HG2 VAL 20 2.700 6.417 5.843 199 HG23 VAL 20 2HG2 VAL 20 1.823 6.151 4.335 200 H GLU 21 H GLU 21 3.401 10.531 5.185 201 HA GLU 21 HA GLU 21 1.607 12.398 6.380 202 HB2 GLU 21 2HB GLU 21 4.337 12.853 5.137 203 HB3 GLU 21 1HB GLU 21 3.491 14.017 6.160 204 HG2 GLU 21 2HG GLU 21 3.439 12.343 7.991 205 HG3 GLU 21 1HG GLU 21 4.346 11.223 6.973 206 H LYS 22 H LYS 22 0.399 14.057 5.514 207 HA LYS 22 HA LYS 22 -0.003 14.065 2.624 208 HB2 LYS 22 2HB LYS 22 -1.770 15.656 3.064 209 HB3 LYS 22 1HB LYS 22 -1.848 14.404 4.303 210 HG2 LYS 22 2HG LYS 22 -0.497 15.891 5.807 211 HG3 LYS 22 1HG LYS 22 -0.618 17.161 4.588 212 HD2 LYS 22 2HD LYS 22 -3.147 16.866 4.716 213 HD3 LYS 22 1HD LYS 22 -2.867 15.881 6.153 214 HE2 LYS 22 2HE LYS 22 -2.823 17.791 7.348 215 HE3 LYS 22 1HE LYS 22 -1.306 18.181 6.538 216 HZ1 LYS 22 3HZ LYS 22 -3.268 18.794 4.723 217 HZ2 LYS 22 1HZ LYS 22 -2.369 19.895 5.647 218 HZ3 LYS 22 2HZ LYS 22 -3.878 19.352 6.207 219 H GLY 23 H GLY 23 1.444 16.275 5.006 220 HA2 GLY 23 2HA GLY 23 2.222 18.097 2.790 221 HA3 GLY 23 1HA GLY 23 2.315 18.482 4.508 222 H GLY 24 H GLY 24 3.480 15.477 4.494 223 HA2 GLY 24 2HA GLY 24 6.226 16.348 4.736 224 HA3 GLY 24 1HA GLY 24 5.673 14.676 4.805 225 HA PRO 25 HA PRO 25 7.546 15.822 0.543 226 HB2 PRO 25 2HB PRO 25 10.152 15.138 0.873 227 HB3 PRO 25 1HB PRO 25 9.545 16.764 1.244 228 HG2 PRO 25 2HG PRO 25 10.119 14.495 3.090 229 HG3 PRO 25 1HG PRO 25 10.477 16.219 3.277 230 HD2 PRO 25 2HD PRO 25 8.337 15.015 4.484 231 HD3 PRO 25 1HD PRO 25 8.342 16.727 4.006 232 H HIS 26 H HIS 26 9.323 14.077 -0.595 233 HA HIS 26 HA HIS 26 7.975 11.457 -0.168 234 HB2 HIS 26 2HB HIS 26 9.668 12.472 -2.474 235 HB3 HIS 26 1HB HIS 26 8.917 10.879 -2.398 236 HD1 HIS 26 1HD HIS 26 6.268 10.813 -2.412 237 HD2 HIS 26 2HD HIS 26 7.930 14.557 -3.200 238 HE1 HIS 26 1HE HIS 26 4.412 12.232 -3.390 239 HE2 HIS 26 2HE HIS 26 5.410 14.513 -3.870 240 H LYS 27 H LYS 27 9.225 10.750 1.651 241 HA LYS 27 HA LYS 27 12.069 10.839 1.793 242 HB2 LYS 27 2HB LYS 27 10.515 10.263 3.695 243 HB3 LYS 27 1HB LYS 27 10.282 8.682 2.950 244 HG2 LYS 27 2HG LYS 27 12.735 8.290 3.064 245 HG3 LYS 27 1HG LYS 27 12.924 9.841 3.883 246 HD2 LYS 27 2HD LYS 27 11.353 9.023 5.663 247 HD3 LYS 27 1HD LYS 27 11.365 7.441 4.881 248 HE2 LYS 27 2HE LYS 27 13.104 7.066 6.323 249 HE3 LYS 27 1HE LYS 27 14.028 7.877 5.059 250 HZ1 LYS 27 3HZ LYS 27 14.323 8.754 7.384 251 HZ2 LYS 27 1HZ LYS 27 12.735 9.346 7.283 252 HZ3 LYS 27 2HZ LYS 27 13.922 9.910 6.204 253 H VAL 28 H VAL 28 9.856 8.406 0.454 254 HA VAL 28 HA VAL 28 12.040 7.420 -1.271 255 HB VAL 28 HB VAL 28 10.459 5.345 0.216 256 HG11 VAL 28 1HG1 VAL 28 12.151 3.917 -0.487 257 HG12 VAL 28 2HG1 VAL 28 13.358 5.203 -0.535 258 HG13 VAL 28 3HG1 VAL 28 12.144 5.086 -1.807 259 HG21 VAL 28 3HG2 VAL 28 11.385 6.801 1.981 260 HG22 VAL 28 1HG2 VAL 28 12.982 6.689 1.240 261 HG23 VAL 28 2HG2 VAL 28 12.233 5.256 1.940 262 H GLY 29 H GLY 29 8.853 6.133 -0.285 263 HA2 GLY 29 2HA GLY 29 8.086 5.745 -3.068 264 HA3 GLY 29 1HA GLY 29 7.062 5.448 -1.662 265 HA PRO 30 HA PRO 30 6.101 9.519 -4.112 266 HB2 PRO 30 2HB PRO 30 3.607 8.598 -4.969 267 HB3 PRO 30 1HB PRO 30 5.078 8.659 -5.957 268 HG2 PRO 30 2HG PRO 30 3.875 6.369 -4.496 269 HG3 PRO 30 1HG PRO 30 4.690 6.411 -6.070 270 HD2 PRO 30 2HD PRO 30 5.953 5.471 -3.882 271 HD3 PRO 30 1HD PRO 30 6.827 6.404 -5.117 272 H ASN 31 H ASN 31 5.212 7.874 -1.430 273 HA ASN 31 HA ASN 31 3.959 8.494 0.443 274 HB2 ASN 31 2HB ASN 31 4.608 10.940 -0.889 275 HB3 ASN 31 1HB ASN 31 2.951 11.055 -0.296 276 HD21 ASN 31 1HD2 ASN 31 5.988 9.563 0.990 277 HD22 ASN 31 2HD2 ASN 31 5.853 10.274 2.525 278 H LEU 32 H LEU 32 1.963 7.646 0.821 279 HA LEU 32 HA LEU 32 -0.090 7.843 -1.315 280 HB2 LEU 32 2HB LEU 32 0.082 6.147 1.190 281 HB3 LEU 32 1HB LEU 32 -1.306 6.151 0.103 282 HG LEU 32 HG LEU 32 0.264 5.558 -1.777 283 HD11 LEU 32 1HD1 LEU 32 2.419 6.123 -1.116 284 HD12 LEU 32 2HD1 LEU 32 2.407 4.397 -0.760 285 HD13 LEU 32 3HD1 LEU 32 2.171 5.562 0.539 286 HD21 LEU 32 3HD2 LEU 32 -0.244 3.796 0.602 287 HD22 LEU 32 1HD2 LEU 32 0.696 3.171 -0.754 288 HD23 LEU 32 2HD2 LEU 32 -0.959 3.724 -1.009 289 H HIS 33 H HIS 33 -2.102 8.801 -0.965 290 HA HIS 33 HA HIS 33 -3.061 9.645 1.608 291 HB2 HIS 33 2HB HIS 33 -1.185 11.277 1.335 292 HB3 HIS 33 1HB HIS 33 -1.940 11.850 -0.152 293 HD1 HIS 33 1HD HIS 33 -2.986 11.325 3.491 294 HD2 HIS 33 2HD HIS 33 -3.673 13.944 0.317 295 HE1 HIS 33 1HE HIS 33 -4.523 13.136 4.374 296 HE2 HIS 33 2HE HIS 33 -4.947 14.734 2.451 297 H GLY 34 H GLY 34 -4.982 8.730 0.760 298 HA2 GLY 34 2HA GLY 34 -7.161 9.180 -0.118 299 HA3 GLY 34 1HA GLY 34 -6.490 10.544 -1.018 300 H ILE 35 H ILE 35 -4.477 7.905 -1.364 301 HA ILE 35 HA ILE 35 -4.876 7.621 -4.149 302 HB ILE 35 HB ILE 35 -2.900 6.822 -2.697 303 HG12 ILE 35 2HG1 ILE 35 -2.718 4.682 -4.267 304 HG13 ILE 35 1HG1 ILE 35 -4.137 5.403 -5.028 305 HG21 ILE 35 1HG2 ILE 35 -4.498 4.264 -2.589 306 HG22 ILE 35 2HG2 ILE 35 -4.528 5.423 -1.260 307 HG23 ILE 35 3HG2 ILE 35 -3.009 4.662 -1.732 308 HD11 ILE 35 3HD1 ILE 35 -1.445 6.736 -4.607 309 HD12 ILE 35 1HD1 ILE 35 -2.872 7.549 -5.247 310 HD13 ILE 35 2HD1 ILE 35 -2.134 6.226 -6.147 311 H PHE 36 H PHE 36 -6.675 6.321 -1.499 312 HA PHE 36 HA PHE 36 -7.745 3.976 -2.692 313 HB2 PHE 36 2HB PHE 36 -8.885 5.922 -0.672 314 HB3 PHE 36 1HB PHE 36 -9.697 4.427 -1.127 315 HD1 PHE 36 2HD PHE 36 -8.732 2.245 -0.589 316 HD2 PHE 36 1HD PHE 36 -6.816 5.892 0.633 317 HE1 PHE 36 2HE PHE 36 -7.306 0.969 0.980 318 HE2 PHE 36 1HE PHE 36 -5.390 4.610 2.209 319 HZ PHE 36 HZ PHE 36 -5.635 2.148 2.379 320 H GLY 37 H GLY 37 -9.223 3.702 -4.300 321 HA2 GLY 37 2HA GLY 37 -10.866 4.209 -5.897 322 HA3 GLY 37 1HA GLY 37 -11.326 5.578 -4.883 323 H ARG 38 H ARG 38 -8.042 5.179 -6.077 324 HA ARG 38 HA ARG 38 -8.551 7.252 -8.144 325 HB2 ARG 38 2HB ARG 38 -6.426 7.460 -5.994 326 HB3 ARG 38 1HB ARG 38 -6.596 8.557 -7.365 327 HG2 ARG 38 2HG ARG 38 -8.948 9.034 -6.587 328 HG3 ARG 38 1HG ARG 38 -8.591 8.104 -5.130 329 HD2 ARG 38 2HD ARG 38 -6.573 9.652 -4.821 330 HD3 ARG 38 1HD ARG 38 -7.300 10.670 -6.062 331 HE ARG 38 HE ARG 38 -9.226 10.067 -4.008 332 HH11 ARG 38 1HH2 ARG 38 -6.422 11.921 -4.770 333 HH12 ARG 38 2HH2 ARG 38 -6.811 13.206 -3.674 334 HH21 ARG 38 1HH1 ARG 38 -9.752 11.733 -2.574 335 HH22 ARG 38 2HH1 ARG 38 -8.697 13.098 -2.430 336 H HIS 39 H HIS 39 -6.634 7.509 -9.613 337 HA HIS 39 HA HIS 39 -5.458 4.849 -10.138 338 HB2 HIS 39 2HB HIS 39 -5.467 7.406 -11.769 339 HB3 HIS 39 1HB HIS 39 -4.766 5.879 -12.301 340 HD1 HIS 39 1HD HIS 39 -8.042 7.593 -11.716 341 HD2 HIS 39 2HD HIS 39 -6.682 3.837 -12.922 342 HE1 HIS 39 1HE HIS 39 -10.057 6.359 -12.632 343 HE2 HIS 39 2HE HIS 39 -9.242 4.073 -13.368 344 H SER 40 H SER 40 -3.135 4.691 -10.651 345 HA SER 40 HA SER 40 -1.506 6.016 -8.667 346 HB2 SER 40 2HB SER 40 -1.076 3.710 -9.556 347 HB3 SER 40 1HB SER 40 -0.601 4.433 -11.089 348 HG SER 40 HG SER 40 0.717 5.744 -9.267 349 H GLY 41 H GLY 41 0.286 7.451 -9.076 350 HA2 GLY 41 2HA GLY 41 1.584 8.904 -10.516 351 HA3 GLY 41 1HA GLY 41 0.300 8.805 -11.716 352 H GLN 42 H GLN 42 -1.666 9.221 -9.363 353 HA GLN 42 HA GLN 42 -2.028 12.030 -9.737 354 HB2 GLN 42 2HB GLN 42 -3.815 10.420 -9.004 355 HB3 GLN 42 1HB GLN 42 -3.052 10.379 -7.413 356 HG2 GLN 42 2HG GLN 42 -3.279 12.885 -7.321 357 HG3 GLN 42 1HG GLN 42 -4.221 12.800 -8.810 358 HE21 GLN 42 1HE2 GLN 42 -6.422 12.819 -8.389 359 HE22 GLN 42 2HE2 GLN 42 -7.167 12.117 -7.037 360 H ALA 43 H ALA 43 -0.359 10.183 -7.219 361 HA ALA 43 HA ALA 43 0.023 12.283 -5.351 362 HB1 ALA 43 1HB ALA 43 0.758 10.327 -4.420 363 HB2 ALA 43 2HB ALA 43 2.314 10.872 -5.047 364 HB3 ALA 43 3HB ALA 43 1.357 9.702 -5.956 365 H GLU 44 H GLU 44 1.724 11.526 -8.342 366 HA GLU 44 HA GLU 44 3.557 12.613 -9.369 367 HB2 GLU 44 2HB GLU 44 1.965 14.966 -8.300 368 HB3 GLU 44 1HB GLU 44 3.185 15.057 -9.573 369 HG2 GLU 44 2HG GLU 44 1.852 13.448 -10.927 370 HG3 GLU 44 1HG GLU 44 0.609 13.460 -9.674 371 H GLY 45 H GLY 45 4.895 14.980 -8.739 372 HA2 GLY 45 2HA GLY 45 6.425 15.936 -7.213 373 HA3 GLY 45 1HA GLY 45 5.665 14.997 -5.927 374 H TYR 46 H TYR 46 5.957 12.419 -7.111 375 HA TYR 46 HA TYR 46 8.935 12.115 -7.013 376 HB2 TYR 46 2HB TYR 46 7.652 11.154 -5.063 377 HB3 TYR 46 1HB TYR 46 6.851 10.070 -6.200 378 HD1 TYR 46 1HD TYR 46 10.146 11.043 -4.786 379 HD2 TYR 46 2HD TYR 46 7.963 8.138 -7.080 380 HE1 TYR 46 1HE TYR 46 12.084 9.499 -4.676 381 HE2 TYR 46 2HE TYR 46 9.905 6.595 -6.969 382 HH TYR 46 HH TYR 46 11.943 6.263 -6.172 383 H SER 47 H SER 47 9.867 11.063 -8.733 384 HA SER 47 HA SER 47 8.374 10.619 -11.128 385 HB2 SER 47 2HB SER 47 11.085 9.499 -10.364 386 HB3 SER 47 1HB SER 47 10.434 9.603 -11.996 387 HG SER 47 HG SER 47 11.682 11.399 -11.697 388 H TYR 48 H TYR 48 7.864 8.614 -12.183 389 HA TYR 48 HA TYR 48 7.533 6.319 -10.294 390 HB2 TYR 48 2HB TYR 48 5.827 7.270 -12.599 391 HB3 TYR 48 1HB TYR 48 5.675 5.647 -11.929 392 HD1 TYR 48 1HD TYR 48 5.285 9.259 -11.221 393 HD2 TYR 48 2HD TYR 48 4.738 5.264 -9.738 394 HE1 TYR 48 1HE TYR 48 3.862 10.133 -9.386 395 HE2 TYR 48 2HE TYR 48 3.318 6.138 -7.904 396 HH TYR 48 HH TYR 48 2.141 7.959 -7.204 397 H THR 49 H THR 49 8.102 4.249 -11.051 398 HA THR 49 HA THR 49 10.094 4.221 -13.189 399 HB THR 49 HB THR 49 10.552 1.994 -12.510 400 HG1 THR 49 1HG THR 49 8.250 1.432 -12.598 401 HG21 THR 49 3HG2 THR 49 11.000 2.254 -10.234 402 HG22 THR 49 1HG2 THR 49 9.472 3.081 -9.927 403 HG23 THR 49 2HG2 THR 49 10.782 3.927 -10.751 404 H ASP 50 H ASP 50 9.939 2.503 -14.929 405 HA ASP 50 HA ASP 50 7.699 2.904 -16.590 406 HB2 ASP 50 2HB ASP 50 9.676 0.622 -16.511 407 HB3 ASP 50 1HB ASP 50 8.510 0.859 -17.811 408 H ALA 51 H ALA 51 8.249 0.507 -14.078 409 HA ALA 51 HA ALA 51 6.353 -1.434 -14.632 410 HB1 ALA 51 1HB ALA 51 6.023 -0.853 -11.883 411 HB2 ALA 51 2HB ALA 51 7.692 -0.446 -12.283 412 HB3 ALA 51 3HB ALA 51 7.080 -2.067 -12.606 413 H ASN 52 H ASN 52 5.391 0.960 -12.180 414 HA ASN 52 HA ASN 52 2.624 0.643 -12.614 415 HB2 ASN 52 2HB ASN 52 3.653 1.762 -10.630 416 HB3 ASN 52 1HB ASN 52 3.989 3.167 -11.641 417 HD21 ASN 52 1HD2 ASN 52 1.292 1.191 -10.324 418 HD22 ASN 52 2HD2 ASN 52 0.118 2.408 -10.484 419 H ILE 53 H ILE 53 4.834 3.032 -14.108 420 HA ILE 53 HA ILE 53 2.850 4.547 -15.449 421 HB ILE 53 HB ILE 53 5.667 3.896 -16.357 422 HG12 ILE 53 2HG1 ILE 53 4.605 6.256 -14.772 423 HG13 ILE 53 1HG1 ILE 53 5.481 4.895 -14.069 424 HG21 ILE 53 1HG2 ILE 53 5.127 5.096 -18.177 425 HG22 ILE 53 2HG2 ILE 53 4.853 6.482 -17.124 426 HG23 ILE 53 3HG2 ILE 53 3.516 5.410 -17.535 427 HD11 ILE 53 3HD1 ILE 53 6.600 6.608 -16.301 428 HD12 ILE 53 1HD1 ILE 53 7.462 5.413 -15.331 429 HD13 ILE 53 2HD1 ILE 53 6.913 6.920 -14.594 430 H LYS 54 H LYS 54 4.731 1.744 -16.630 431 HA LYS 54 HA LYS 54 3.470 1.557 -19.171 432 HB2 LYS 54 2HB LYS 54 5.539 0.313 -18.495 433 HB3 LYS 54 1HB LYS 54 4.535 -0.734 -17.492 434 HG2 LYS 54 2HG LYS 54 3.224 -1.371 -19.502 435 HG3 LYS 54 1HG LYS 54 4.288 -0.372 -20.493 436 HD2 LYS 54 2HD LYS 54 6.230 -1.739 -19.685 437 HD3 LYS 54 1HD LYS 54 5.085 -2.799 -18.861 438 HE2 LYS 54 2HE LYS 54 5.828 -2.742 -21.666 439 HE3 LYS 54 1HE LYS 54 4.895 -3.952 -20.787 440 HZ1 LYS 54 3HZ LYS 54 3.895 -1.447 -22.018 441 HZ2 LYS 54 1HZ LYS 54 2.971 -2.393 -20.954 442 HZ3 LYS 54 2HZ LYS 54 3.488 -3.043 -22.436 443 H LYS 55 H LYS 55 2.567 0.288 -16.001 444 HA LYS 55 HA LYS 55 -0.081 -0.478 -17.165 445 HB2 LYS 55 2HB LYS 55 1.250 -2.496 -16.628 446 HB3 LYS 55 1HB LYS 55 1.448 -1.917 -14.974 447 HG2 LYS 55 2HG LYS 55 -0.945 -2.037 -14.584 448 HG3 LYS 55 1HG LYS 55 -1.238 -2.440 -16.275 449 HD2 LYS 55 2HD LYS 55 -1.319 -4.489 -14.980 450 HD3 LYS 55 1HD LYS 55 0.142 -4.511 -15.966 451 HE2 LYS 55 2HE LYS 55 0.380 -5.193 -13.487 452 HE3 LYS 55 1HE LYS 55 1.538 -4.022 -14.116 453 HZ1 LYS 55 3HZ LYS 55 -0.913 -2.906 -13.041 454 HZ2 LYS 55 1HZ LYS 55 0.690 -2.382 -12.862 455 HZ3 LYS 55 2HZ LYS 55 0.103 -3.654 -11.901 456 H ASN 56 H ASN 56 -1.596 0.850 -16.307 457 HA ASN 56 HA ASN 56 -1.121 1.964 -13.581 458 HB2 ASN 56 2HB ASN 56 -1.550 3.566 -15.474 459 HB3 ASN 56 1HB ASN 56 -3.156 2.856 -15.643 460 HD21 ASN 56 1HD2 ASN 56 -1.060 4.254 -13.054 461 HD22 ASN 56 2HD2 ASN 56 -2.334 5.015 -12.229 462 H VAL 57 H VAL 57 -2.522 1.465 -11.929 463 HA VAL 57 HA VAL 57 -4.926 -0.167 -12.624 464 HB VAL 57 HB VAL 57 -3.077 -1.603 -11.782 465 HG11 VAL 57 1HG1 VAL 57 -2.636 0.572 -10.074 466 HG12 VAL 57 2HG1 VAL 57 -1.823 -0.991 -10.010 467 HG13 VAL 57 3HG1 VAL 57 -3.254 -0.700 -9.021 468 HG21 VAL 57 3HG2 VAL 57 -4.392 -2.688 -9.990 469 HG22 VAL 57 1HG2 VAL 57 -5.433 -2.205 -11.329 470 HG23 VAL 57 2HG2 VAL 57 -5.394 -1.244 -9.851 471 H LEU 58 H LEU 58 -6.729 0.144 -11.269 472 HA LEU 58 HA LEU 58 -6.842 2.721 -9.916 473 HB2 LEU 58 2HB LEU 58 -8.803 1.830 -11.119 474 HB3 LEU 58 1HB LEU 58 -8.848 0.441 -10.035 475 HG LEU 58 HG LEU 58 -9.186 2.003 -8.110 476 HD11 LEU 58 1HD1 LEU 58 -8.525 4.131 -8.528 477 HD12 LEU 58 2HD1 LEU 58 -10.122 4.319 -9.249 478 HD13 LEU 58 3HD1 LEU 58 -8.732 3.954 -10.270 479 HD21 LEU 58 3HD2 LEU 58 -11.480 2.922 -9.376 480 HD22 LEU 58 1HD2 LEU 58 -11.301 1.358 -8.579 481 HD23 LEU 58 2HD2 LEU 58 -11.040 1.497 -10.319 482 H TRP 59 H TRP 59 -6.552 3.081 -7.742 483 HA TRP 59 HA TRP 59 -5.854 0.725 -6.096 484 HB2 TRP 59 2HB TRP 59 -5.537 3.703 -5.653 485 HB3 TRP 59 1HB TRP 59 -5.132 2.494 -4.435 486 HD1 TRP 59 HD TRP 59 -3.570 4.376 -7.103 487 HE1 TRP 59 1HE TRP 59 -1.392 3.262 -7.905 488 HE3 TRP 59 3HE TRP 59 -4.100 -0.235 -4.981 489 HZ2 TRP 59 2HZ TRP 59 -0.048 0.752 -7.683 490 HZ3 TRP 59 3HZ TRP 59 -2.359 -1.965 -5.296 491 HH2 TRP 59 HH TRP 59 -0.334 -1.480 -6.642 492 H ASP 60 H ASP 60 -7.245 -0.114 -4.702 493 HA ASP 60 HA ASP 60 -9.258 1.536 -3.329 494 HB2 ASP 60 2HB ASP 60 -10.295 0.760 -5.522 495 HB3 ASP 60 1HB ASP 60 -10.127 -0.891 -4.925 496 H GLU 61 H GLU 61 -10.466 0.016 -1.699 497 HA GLU 61 HA GLU 61 -8.556 -1.305 -0.087 498 HB2 GLU 61 2HB GLU 61 -11.553 -1.754 -0.244 499 HB3 GLU 61 1HB GLU 61 -10.519 -2.346 1.055 500 HG2 GLU 61 2HG GLU 61 -9.831 -0.006 1.538 501 HG3 GLU 61 1HG GLU 61 -10.945 0.557 0.291 502 H ASN 62 H ASN 62 -10.724 -2.618 -2.579 503 HA ASN 62 HA ASN 62 -10.055 -5.374 -2.139 504 HB2 ASN 62 2HB ASN 62 -12.030 -4.654 -3.438 505 HB3 ASN 62 1HB ASN 62 -10.966 -4.003 -4.685 506 HD21 ASN 62 1HD2 ASN 62 -9.948 -5.487 -6.138 507 HD22 ASN 62 2HD2 ASN 62 -10.285 -7.152 -6.134 508 H ASN 63 H ASN 63 -8.803 -2.986 -4.483 509 HA ASN 63 HA ASN 63 -6.915 -4.745 -5.699 510 HB2 ASN 63 2HB ASN 63 -7.710 -2.516 -6.587 511 HB3 ASN 63 1HB ASN 63 -6.625 -1.749 -5.425 512 HD21 ASN 63 1HD2 ASN 63 -5.443 -0.909 -7.399 513 HD22 ASN 63 2HD2 ASN 63 -4.336 -1.929 -8.182 514 H MET 64 H MET 64 -6.582 -2.529 -2.932 515 HA MET 64 HA MET 64 -3.768 -2.815 -2.623 516 HB2 MET 64 2HB MET 64 -5.939 -2.259 -0.588 517 HB3 MET 64 1HB MET 64 -4.216 -2.199 -0.210 518 HG2 MET 64 2HG MET 64 -3.924 -0.542 -2.070 519 HG3 MET 64 1HG MET 64 -5.673 -0.527 -2.273 520 HE1 MET 64 3HE MET 64 -4.860 1.729 -2.305 521 HE2 MET 64 1HE MET 64 -3.963 2.541 -1.017 522 HE3 MET 64 2HE MET 64 -5.718 2.664 -1.084 523 H SER 65 H SER 65 -6.443 -4.812 -1.397 524 HA SER 65 HA SER 65 -4.867 -6.488 0.294 525 HB2 SER 65 2HB SER 65 -7.315 -7.268 -1.318 526 HB3 SER 65 1HB SER 65 -6.692 -8.106 0.101 527 HG SER 65 HG SER 65 -7.678 -5.442 -0.037 528 H GLU 66 H GLU 66 -5.726 -6.800 -3.154 529 HA GLU 66 HA GLU 66 -4.273 -9.251 -3.562 530 HB2 GLU 66 2HB GLU 66 -6.029 -8.359 -5.118 531 HB3 GLU 66 1HB GLU 66 -4.899 -7.093 -5.601 532 HG2 GLU 66 2HG GLU 66 -3.275 -8.855 -6.294 533 HG3 GLU 66 1HG GLU 66 -4.481 -10.080 -5.905 534 H HIS 67 H HIS 67 -3.407 -5.845 -3.664 535 HA HIS 67 HA HIS 67 -0.900 -6.021 -4.959 536 HB2 HIS 67 2HB HIS 67 -2.196 -3.941 -4.217 537 HB3 HIS 67 1HB HIS 67 -1.503 -4.207 -2.620 538 HD1 HIS 67 1HD HIS 67 -0.081 -4.172 -6.175 539 HD2 HIS 67 2HD HIS 67 0.766 -2.697 -2.379 540 HE1 HIS 67 1HE HIS 67 2.074 -2.859 -6.388 541 HE2 HIS 67 2HE HIS 67 2.605 -1.961 -4.075 542 H LEU 68 H LEU 68 -1.747 -6.410 -1.532 543 HA LEU 68 HA LEU 68 0.942 -6.883 -0.633 544 HB2 LEU 68 2HB LEU 68 -1.700 -7.753 0.576 545 HB3 LEU 68 1HB LEU 68 -0.148 -7.759 1.405 546 HG LEU 68 HG LEU 68 -1.490 -5.302 0.247 547 HD11 LEU 68 1HD1 LEU 68 -1.129 -6.199 3.122 548 HD12 LEU 68 2HD1 LEU 68 -2.654 -6.198 2.238 549 HD13 LEU 68 3HD1 LEU 68 -1.847 -4.674 2.601 550 HD21 LEU 68 3HD2 LEU 68 0.394 -4.429 2.000 551 HD22 LEU 68 1HD2 LEU 68 0.694 -4.616 0.274 552 HD23 LEU 68 2HD2 LEU 68 1.180 -5.885 1.398 553 H THR 69 H THR 69 -1.464 -8.920 -2.145 554 HA THR 69 HA THR 69 -0.067 -11.380 -1.337 555 HB THR 69 HB THR 69 -2.258 -11.070 -3.407 556 HG1 THR 69 1HG THR 69 -2.447 -10.424 -0.953 557 HG21 THR 69 3HG2 THR 69 -1.406 -13.415 -1.684 558 HG22 THR 69 1HG2 THR 69 -0.992 -13.213 -3.387 559 HG23 THR 69 2HG2 THR 69 -2.677 -13.425 -2.908 560 H ASN 70 H ASN 70 1.507 -12.360 -2.498 561 HA ASN 70 HA ASN 70 3.236 -12.468 -4.106 562 HB2 ASN 70 2HB ASN 70 1.047 -13.690 -4.964 563 HB3 ASN 70 1HB ASN 70 1.081 -12.412 -6.180 564 HD21 ASN 70 1HD2 ASN 70 2.205 -13.044 -8.017 565 HD22 ASN 70 2HD2 ASN 70 3.546 -14.084 -8.035 566 HA PRO 71 HA PRO 71 2.626 -7.929 -5.387 567 HB2 PRO 71 2HB PRO 71 4.788 -6.999 -3.939 568 HB3 PRO 71 1HB PRO 71 3.114 -6.990 -3.353 569 HG2 PRO 71 2HG PRO 71 5.317 -8.900 -2.761 570 HG3 PRO 71 1HG PRO 71 4.061 -8.254 -1.692 571 HD2 PRO 71 2HD PRO 71 3.914 -10.759 -2.730 572 HD3 PRO 71 1HD PRO 71 2.468 -9.775 -2.411 573 H ALA 72 H ALA 72 5.110 -10.322 -5.406 574 HA ALA 72 HA ALA 72 7.220 -8.968 -6.727 575 HB1 ALA 72 1HB ALA 72 7.837 -11.231 -7.604 576 HB2 ALA 72 2HB ALA 72 6.304 -11.847 -6.990 577 HB3 ALA 72 3HB ALA 72 7.517 -11.227 -5.870 578 H LYS 73 H LYS 73 4.244 -10.392 -8.018 579 HA LYS 73 HA LYS 73 5.048 -9.813 -10.785 580 HB2 LYS 73 2HB LYS 73 2.422 -10.777 -9.608 581 HB3 LYS 73 1HB LYS 73 2.755 -10.630 -11.334 582 HG2 LYS 73 2HG LYS 73 4.677 -12.199 -11.057 583 HG3 LYS 73 1HG LYS 73 4.220 -12.411 -9.365 584 HD2 LYS 73 2HD LYS 73 1.966 -13.186 -10.115 585 HD3 LYS 73 1HD LYS 73 2.522 -13.084 -11.786 586 HE2 LYS 73 2HE LYS 73 3.407 -15.142 -11.600 587 HE3 LYS 73 1HE LYS 73 4.486 -14.547 -10.339 588 HZ1 LYS 73 3HZ LYS 73 1.714 -15.131 -9.612 589 HZ2 LYS 73 1HZ LYS 73 3.129 -15.289 -8.692 590 HZ3 LYS 73 2HZ LYS 73 2.755 -16.448 -9.877 591 H TYR 74 H TYR 74 4.159 -7.907 -8.314 592 HA TYR 74 HA TYR 74 2.426 -6.126 -9.971 593 HB2 TYR 74 2HB TYR 74 1.957 -7.026 -7.481 594 HB3 TYR 74 1HB TYR 74 2.918 -5.607 -7.079 595 HD1 TYR 74 1HD TYR 74 2.166 -3.634 -9.096 596 HD2 TYR 74 2HD TYR 74 -0.271 -6.531 -7.074 597 HE1 TYR 74 1HE TYR 74 0.194 -2.176 -9.393 598 HE2 TYR 74 2HE TYR 74 -2.253 -5.074 -7.381 599 HH TYR 74 HH TYR 74 -2.074 -1.894 -8.078 600 H ILE 75 H ILE 75 3.399 -4.360 -10.807 601 HA ILE 75 HA ILE 75 5.182 -2.908 -11.331 602 HB ILE 75 HB ILE 75 5.582 -1.293 -9.511 603 HG12 ILE 75 2HG1 ILE 75 3.880 -3.102 -7.772 604 HG13 ILE 75 1HG1 ILE 75 5.633 -3.045 -7.660 605 HG21 ILE 75 1HG2 ILE 75 3.610 -0.486 -10.217 606 HG22 ILE 75 2HG2 ILE 75 2.819 -1.434 -8.959 607 HG23 ILE 75 3HG2 ILE 75 3.030 -2.112 -10.572 608 HD11 ILE 75 3HD1 ILE 75 4.290 -0.416 -7.633 609 HD12 ILE 75 1HD1 ILE 75 5.636 -1.005 -6.657 610 HD13 ILE 75 2HD1 ILE 75 3.980 -1.433 -6.227 611 HA PRO 76 HA PRO 76 8.373 -5.817 -9.325 612 HB2 PRO 76 2HB PRO 76 9.266 -6.789 -11.769 613 HB3 PRO 76 1HB PRO 76 8.088 -7.605 -10.724 614 HG2 PRO 76 2HG PRO 76 7.639 -5.943 -13.145 615 HG3 PRO 76 1HG PRO 76 6.781 -7.389 -12.589 616 HD2 PRO 76 2HD PRO 76 5.737 -4.898 -12.303 617 HD3 PRO 76 1HD PRO 76 5.433 -6.194 -11.126 618 H GLY 77 H GLY 77 8.276 -3.385 -11.797 619 HA2 GLY 77 2HA GLY 77 11.208 -3.102 -11.878 620 HA3 GLY 77 1HA GLY 77 10.055 -2.163 -12.820 621 H THR 78 H THR 78 9.464 -2.494 -9.409 622 HA THR 78 HA THR 78 10.356 0.344 -9.048 623 HB THR 78 HB THR 78 8.604 0.461 -7.270 624 HG1 THR 78 1HG THR 78 8.486 -1.785 -6.887 625 HG21 THR 78 3HG2 THR 78 6.698 0.567 -8.820 626 HG22 THR 78 1HG2 THR 78 7.608 -0.366 -10.007 627 HG23 THR 78 2HG2 THR 78 8.144 1.253 -9.558 628 H LYS 79 H LYS 79 11.213 0.898 -6.949 629 HA LYS 79 HA LYS 79 13.097 -0.959 -5.894 630 HB2 LYS 79 2HB LYS 79 11.878 1.447 -4.502 631 HB3 LYS 79 1HB LYS 79 13.422 0.687 -4.118 632 HG2 LYS 79 2HG LYS 79 14.246 1.244 -6.389 633 HG3 LYS 79 1HG LYS 79 12.711 2.045 -6.731 634 HD2 LYS 79 2HD LYS 79 13.139 3.521 -4.721 635 HD3 LYS 79 1HD LYS 79 14.756 2.822 -4.637 636 HE2 LYS 79 2HE LYS 79 14.066 3.735 -7.335 637 HE3 LYS 79 1HE LYS 79 14.030 5.033 -6.146 638 HZ1 LYS 79 3HZ LYS 79 16.254 4.096 -7.343 639 HZ2 LYS 79 1HZ LYS 79 16.279 3.260 -5.869 640 HZ3 LYS 79 2HZ LYS 79 16.228 4.958 -5.879 641 H MET 80 H MET 80 9.768 -0.259 -5.100 642 HA MET 80 HA MET 80 9.341 -1.168 -2.568 643 HB2 MET 80 2HB MET 80 7.588 -0.540 -4.277 644 HB3 MET 80 1HB MET 80 7.722 -2.174 -4.921 645 HG2 MET 80 2HG MET 80 6.661 -3.117 -3.119 646 HG3 MET 80 1HG MET 80 7.300 -1.931 -1.983 647 HE1 MET 80 3HE MET 80 4.593 -2.985 -1.729 648 HE2 MET 80 1HE MET 80 4.125 -3.179 -3.425 649 HE3 MET 80 2HE MET 80 3.228 -2.081 -2.380 650 H ALA 81 H ALA 81 10.203 -2.865 -1.510 651 HA ALA 81 HA ALA 81 10.504 -5.460 -2.974 652 HB1 ALA 81 1HB ALA 81 12.528 -5.795 -1.964 653 HB2 ALA 81 2HB ALA 81 12.019 -5.018 -0.465 654 HB3 ALA 81 3HB ALA 81 12.516 -4.036 -1.842 655 H PHE 82 H PHE 82 8.141 -4.409 -1.506 656 HA PHE 82 HA PHE 82 7.936 -5.656 1.070 657 HB2 PHE 82 2HB PHE 82 6.411 -3.862 0.145 658 HB3 PHE 82 1HB PHE 82 5.680 -5.098 -0.877 659 HD1 PHE 82 1HD PHE 82 6.211 -3.989 2.614 660 HD2 PHE 82 2HD PHE 82 4.205 -6.774 0.035 661 HE1 PHE 82 1HE PHE 82 4.741 -4.672 4.493 662 HE2 PHE 82 2HE PHE 82 2.741 -7.464 1.912 663 HZ PHE 82 HZ PHE 82 3.003 -6.407 4.140 664 H GLY 83 H GLY 83 7.460 -7.762 1.611 665 HA2 GLY 83 2HA GLY 83 7.391 -9.738 -0.570 666 HA3 GLY 83 1HA GLY 83 7.507 -10.100 1.151 667 H GLY 84 H GLY 84 5.780 -11.696 -0.000 668 HA2 GLY 84 2HA GLY 84 3.092 -10.482 -0.064 669 HA3 GLY 84 1HA GLY 84 3.475 -12.158 -0.454 670 H LEU 85 H LEU 85 1.391 -11.145 1.381 671 HA LEU 85 HA LEU 85 2.423 -12.150 3.999 672 HB2 LEU 85 2HB LEU 85 -0.174 -10.702 3.398 673 HB3 LEU 85 1HB LEU 85 0.475 -11.076 4.995 674 HG LEU 85 HG LEU 85 1.736 -9.247 2.932 675 HD11 LEU 85 1HD1 LEU 85 0.978 -7.474 4.197 676 HD12 LEU 85 2HD1 LEU 85 0.979 -8.405 5.694 677 HD13 LEU 85 3HD1 LEU 85 -0.321 -8.619 4.524 678 HD21 LEU 85 3HD2 LEU 85 2.708 -10.434 5.512 679 HD22 LEU 85 1HD2 LEU 85 3.203 -8.794 5.091 680 HD23 LEU 85 2HD2 LEU 85 3.596 -10.137 4.017 681 H LYS 86 H LYS 86 1.923 -14.226 4.483 682 HA LYS 86 HA LYS 86 0.149 -15.812 2.869 683 HB2 LYS 86 2HB LYS 86 1.280 -16.341 5.634 684 HB3 LYS 86 1HB LYS 86 0.481 -17.544 4.622 685 HG2 LYS 86 2HG LYS 86 2.201 -17.038 2.833 686 HG3 LYS 86 1HG LYS 86 3.061 -16.072 4.032 687 HD2 LYS 86 2HD LYS 86 2.348 -19.001 4.367 688 HD3 LYS 86 1HD LYS 86 3.936 -18.403 3.887 689 HE2 LYS 86 2HE LYS 86 4.316 -18.496 6.146 690 HE3 LYS 86 1HE LYS 86 3.555 -16.906 6.100 691 HZ1 LYS 86 3HZ LYS 86 1.523 -18.806 6.187 692 HZ2 LYS 86 1HZ LYS 86 1.960 -17.693 7.391 693 HZ3 LYS 86 2HZ LYS 86 2.656 -19.243 7.376 694 H LYS 87 H LYS 87 -0.275 -14.059 5.913 695 HA LYS 87 HA LYS 87 -2.945 -15.199 6.344 696 HB2 LYS 87 2HB LYS 87 -1.637 -12.844 7.732 697 HB3 LYS 87 1HB LYS 87 -3.019 -13.775 8.308 698 HG2 LYS 87 2HG LYS 87 -0.252 -14.925 7.844 699 HG3 LYS 87 1HG LYS 87 -0.875 -14.431 9.417 700 HD2 LYS 87 2HD LYS 87 -2.837 -16.030 8.959 701 HD3 LYS 87 1HD LYS 87 -1.852 -16.677 7.646 702 HE2 LYS 87 2HE LYS 87 -1.045 -16.539 10.565 703 HE3 LYS 87 1HE LYS 87 -1.503 -17.996 9.684 704 HZ1 LYS 87 3HZ LYS 87 0.863 -17.849 9.739 705 HZ2 LYS 87 1HZ LYS 87 0.842 -16.255 9.158 706 HZ3 LYS 87 2HZ LYS 87 0.359 -17.534 8.148 707 H GLU 88 H GLU 88 -4.644 -14.488 5.183 708 HA GLU 88 HA GLU 88 -4.591 -12.016 3.680 709 HB2 GLU 88 2HB GLU 88 -6.855 -13.927 4.327 710 HB3 GLU 88 1HB GLU 88 -6.982 -12.581 3.197 711 HG2 GLU 88 2HG GLU 88 -5.120 -13.547 1.867 712 HG3 GLU 88 1HG GLU 88 -5.066 -14.920 2.974 713 H LYS 89 H LYS 89 -6.014 -13.035 6.758 714 HA LYS 89 HA LYS 89 -7.700 -10.800 7.207 715 HB2 LYS 89 2HB LYS 89 -6.122 -12.457 9.197 716 HB3 LYS 89 1HB LYS 89 -7.411 -11.333 9.631 717 HG2 LYS 89 2HG LYS 89 -8.969 -12.621 8.163 718 HG3 LYS 89 1HG LYS 89 -7.680 -13.789 7.874 719 HD2 LYS 89 2HD LYS 89 -7.539 -14.181 10.339 720 HD3 LYS 89 1HD LYS 89 -8.920 -13.105 10.555 721 HE2 LYS 89 2HE LYS 89 -10.186 -14.969 10.312 722 HE3 LYS 89 1HE LYS 89 -9.816 -14.827 8.595 723 HZ1 LYS 89 3HZ LYS 89 -7.622 -16.050 9.639 724 HZ2 LYS 89 1HZ LYS 89 -8.880 -16.818 8.803 725 HZ3 LYS 89 2HZ LYS 89 -8.904 -16.758 10.501 726 H ASP 90 H ASP 90 -4.226 -11.223 7.808 727 HA ASP 90 HA ASP 90 -3.783 -8.808 9.231 728 HB2 ASP 90 2HB ASP 90 -1.993 -10.338 7.321 729 HB3 ASP 90 1HB ASP 90 -1.442 -9.003 8.331 730 H ARG 91 H ARG 91 -4.009 -9.476 5.758 731 HA ARG 91 HA ARG 91 -3.121 -6.950 4.790 732 HB2 ARG 91 2HB ARG 91 -5.251 -8.794 3.667 733 HB3 ARG 91 1HB ARG 91 -4.476 -7.481 2.780 734 HG2 ARG 91 2HG ARG 91 -2.272 -8.580 3.139 735 HG3 ARG 91 1HG ARG 91 -3.101 -9.925 3.929 736 HD2 ARG 91 2HD ARG 91 -3.535 -8.994 1.080 737 HD3 ARG 91 1HD ARG 91 -2.703 -10.469 1.573 738 HE ARG 91 HE ARG 91 -5.215 -10.673 2.741 739 HH11 ARG 91 1HH2 ARG 91 -3.935 -10.131 -0.413 740 HH12 ARG 91 2HH2 ARG 91 -5.262 -10.889 -1.227 741 HH21 ARG 91 1HH1 ARG 91 -6.958 -11.664 1.696 742 HH22 ARG 91 2HH1 ARG 91 -6.973 -11.757 -0.034 743 H ASN 92 H ASN 92 -6.362 -8.055 5.751 744 HA ASN 92 HA ASN 92 -7.813 -5.756 5.007 745 HB2 ASN 92 2HB ASN 92 -8.258 -7.635 7.343 746 HB3 ASN 92 1HB ASN 92 -9.445 -6.484 6.737 747 HD21 ASN 92 1HD2 ASN 92 -10.057 -9.244 6.673 748 HD22 ASN 92 2HD2 ASN 92 -10.066 -9.774 5.060 749 H ASP 93 H ASP 93 -6.089 -6.406 8.086 750 HA ASP 93 HA ASP 93 -6.953 -3.975 9.336 751 HB2 ASP 93 2HB ASP 93 -4.481 -5.657 9.836 752 HB3 ASP 93 1HB ASP 93 -5.095 -4.398 10.907 753 H LEU 94 H LEU 94 -4.098 -4.799 7.380 754 HA LEU 94 HA LEU 94 -2.699 -2.349 7.746 755 HB2 LEU 94 2HB LEU 94 -1.704 -4.376 6.726 756 HB3 LEU 94 1HB LEU 94 -2.724 -4.148 5.307 757 HG LEU 94 HG LEU 94 -1.691 -1.900 4.968 758 HD11 LEU 94 1HD1 LEU 94 -0.893 -1.167 7.019 759 HD12 LEU 94 2HD1 LEU 94 0.600 -1.754 6.285 760 HD13 LEU 94 3HD1 LEU 94 -0.258 -2.752 7.458 761 HD21 LEU 94 3HD2 LEU 94 -0.578 -4.455 4.492 762 HD22 LEU 94 1HD2 LEU 94 0.758 -3.429 5.013 763 HD23 LEU 94 2HD2 LEU 94 -0.224 -2.959 3.627 764 H ILE 95 H ILE 95 -5.052 -3.281 5.214 765 HA ILE 95 HA ILE 95 -4.896 -0.807 3.784 766 HB ILE 95 HB ILE 95 -7.251 -2.695 3.997 767 HG12 ILE 95 2HG1 ILE 95 -4.986 -2.658 1.982 768 HG13 ILE 95 1HG1 ILE 95 -5.084 -3.782 3.337 769 HG21 ILE 95 1HG2 ILE 95 -6.566 -1.115 1.553 770 HG22 ILE 95 2HG2 ILE 95 -7.356 -0.273 2.885 771 HG23 ILE 95 3HG2 ILE 95 -8.141 -1.655 2.131 772 HD11 ILE 95 3HD1 ILE 95 -7.586 -3.732 1.877 773 HD12 ILE 95 1HD1 ILE 95 -6.529 -5.101 2.219 774 HD13 ILE 95 2HD1 ILE 95 -6.245 -4.103 0.794 775 H THR 96 H THR 96 -7.024 -1.897 6.403 776 HA THR 96 HA THR 96 -8.710 0.397 6.475 777 HB THR 96 HB THR 96 -7.890 -1.383 8.784 778 HG1 THR 96 1HG THR 96 -8.927 -2.849 7.726 779 HG21 THR 96 3HG2 THR 96 -9.244 -0.007 9.944 780 HG22 THR 96 1HG2 THR 96 -10.575 -0.665 8.991 781 HG23 THR 96 2HG2 THR 96 -9.770 0.820 8.479 782 H TYR 97 H TYR 97 -5.623 -0.271 8.128 783 HA TYR 97 HA TYR 97 -5.644 2.002 9.829 784 HB2 TYR 97 2HB TYR 97 -4.034 0.152 10.072 785 HB3 TYR 97 1HB TYR 97 -3.251 0.639 8.567 786 HD1 TYR 97 2HD TYR 97 -4.041 1.725 12.034 787 HD2 TYR 97 1HD TYR 97 -1.736 2.486 8.491 788 HE1 TYR 97 2HE TYR 97 -2.682 3.388 13.275 789 HE2 TYR 97 1HE TYR 97 -0.379 4.151 9.731 790 HH TYR 97 HH TYR 97 -0.244 5.361 11.631 791 H LEU 98 H LEU 98 -4.333 1.686 6.500 792 HA LEU 98 HA LEU 98 -3.304 4.349 6.399 793 HB2 LEU 98 2HB LEU 98 -4.288 2.542 4.174 794 HB3 LEU 98 1HB LEU 98 -3.454 4.071 3.902 795 HG LEU 98 HG LEU 98 -2.333 1.704 5.436 796 HD11 LEU 98 1HD1 LEU 98 -2.350 2.437 2.615 797 HD12 LEU 98 2HD1 LEU 98 -1.793 0.946 3.376 798 HD13 LEU 98 3HD1 LEU 98 -0.706 2.331 3.249 799 HD21 LEU 98 3HD2 LEU 98 -0.226 3.304 4.903 800 HD22 LEU 98 1HD2 LEU 98 -1.162 3.439 6.391 801 HD23 LEU 98 2HD2 LEU 98 -1.483 4.530 5.042 802 H LYS 99 H LYS 99 -6.520 3.052 5.673 803 HA LYS 99 HA LYS 99 -7.608 5.394 4.504 804 HB2 LYS 99 2HB LYS 99 -8.927 3.287 6.240 805 HB3 LYS 99 1HB LYS 99 -9.803 4.509 5.325 806 HG2 LYS 99 2HG LYS 99 -8.712 3.671 3.239 807 HG3 LYS 99 1HG LYS 99 -7.970 2.383 4.187 808 HD2 LYS 99 2HD LYS 99 -9.897 1.337 3.375 809 HD3 LYS 99 1HD LYS 99 -10.422 1.894 4.963 810 HE2 LYS 99 2HE LYS 99 -10.952 4.093 3.409 811 HE3 LYS 99 1HE LYS 99 -11.279 2.780 2.282 812 HZ1 LYS 99 3HZ LYS 99 -13.058 2.118 3.441 813 HZ2 LYS 99 1HZ LYS 99 -13.019 3.676 4.112 814 HZ3 LYS 99 2HZ LYS 99 -12.316 2.374 4.948 815 H LYS 100 H LYS 100 -7.152 4.466 7.891 816 HA LYS 100 HA LYS 100 -8.643 6.561 9.102 817 HB2 LYS 100 2HB LYS 100 -7.673 4.610 10.317 818 HB3 LYS 100 1HB LYS 100 -6.067 5.306 10.094 819 HG2 LYS 100 2HG LYS 100 -6.832 7.355 11.298 820 HG3 LYS 100 1HG LYS 100 -8.378 6.561 11.605 821 HD2 LYS 100 2HD LYS 100 -7.120 4.694 12.719 822 HD3 LYS 100 1HD LYS 100 -5.650 5.652 12.552 823 HE2 LYS 100 2HE LYS 100 -6.703 7.479 13.852 824 HE3 LYS 100 1HE LYS 100 -8.151 6.491 14.048 825 HZ1 LYS 100 3HZ LYS 100 -5.461 5.596 14.908 826 HZ2 LYS 100 1HZ LYS 100 -6.959 4.906 15.300 827 HZ3 LYS 100 2HZ LYS 100 -6.531 6.422 15.937 828 H ALA 101 H ALA 101 -5.272 6.436 8.002 829 HA ALA 101 HA ALA 101 -4.519 9.037 8.916 830 HB1 ALA 101 1HB ALA 101 -3.494 7.148 6.823 831 HB2 ALA 101 2HB ALA 101 -2.684 7.764 8.264 832 HB3 ALA 101 3HB ALA 101 -2.881 8.801 6.852 833 H THR 102 H THR 102 -6.172 7.939 5.995 834 HA THR 102 HA THR 102 -5.984 10.446 4.582 835 HB THR 102 HB THR 102 -7.707 9.531 3.123 836 HG1 THR 102 1HG THR 102 -8.366 8.236 5.407 837 HG21 THR 102 3HG2 THR 102 -5.738 7.470 4.140 838 HG22 THR 102 1HG2 THR 102 -5.518 8.578 2.786 839 HG23 THR 102 2HG2 THR 102 -6.692 7.266 2.671 840 H GLU 103 H GLU 103 -8.042 9.266 7.133 841 HA GLU 103 HA GLU 103 -10.001 11.435 6.735 842 HB2 GLU 103 2HB GLU 103 -9.797 9.290 8.870 843 HB3 GLU 103 1HB GLU 103 -11.132 10.432 8.706 844 HG2 GLU 103 2HG GLU 103 -11.557 9.570 6.412 845 HG3 GLU 103 1HG GLU 103 -10.273 8.382 6.643 846 HHA HEC 201 HA HEC 104 4.337 3.086 -5.758 847 HHB HEC 201 HB HEC 104 0.770 0.310 -1.337 848 HHC HEC 201 HC HEC 104 5.972 -1.011 2.010 849 HHD HEC 201 HD HEC 104 9.542 1.589 -2.522 850 HMA1 HEC 201 1HMA HEC 104 -0.388 1.982 -2.379 851 HMA2 HEC 201 2HMA HEC 104 -0.653 0.981 -3.808 852 HMA3 HEC 201 3HMA HEC 104 -0.471 2.729 -3.974 853 HAA1 HEC 201 1HAA HEC 104 2.084 1.793 -6.634 854 HAA2 HEC 201 2HAA HEC 104 0.567 2.422 -6.011 855 HBA1 HEC 201 1HBA HEC 104 2.747 3.853 -7.224 856 HBA2 HEC 201 2HBA HEC 104 2.511 4.439 -5.579 857 HMB1 HEC 201 1HMB HEC 104 0.578 -1.675 -0.235 858 HMB2 HEC 201 2HMB HEC 104 1.078 -2.379 1.293 859 HMB3 HEC 201 3HMB HEC 104 0.209 -0.847 1.273 860 HAB HEC 201 HAB HEC 104 4.227 -1.804 3.152 861 HBB1 HEC 201 1HBB HEC 104 2.202 -1.690 4.624 862 HBB2 HEC 201 2HBB HEC 104 2.025 -2.768 3.246 863 HBB3 HEC 201 3HBB HEC 104 1.272 -1.173 3.226 864 HMC1 HEC 201 1HMC HEC 104 8.467 -2.282 1.387 865 HMC2 HEC 201 2HMC HEC 104 8.240 -1.111 2.685 866 HMC3 HEC 201 3HMC HEC 104 9.781 -1.194 1.831 867 HAC HEC 201 HAC HEC 104 10.646 1.589 -0.619 868 HBC1 HEC 201 1HBC HEC 104 11.935 -0.527 0.779 869 HBC2 HEC 201 2HBC HEC 104 10.865 -1.262 -0.414 870 HBC3 HEC 201 3HBC HEC 104 12.094 -0.105 -0.926 871 HMD1 HEC 201 1HMD HEC 104 10.147 2.939 -4.419 872 HMD2 HEC 201 2HMD HEC 104 9.459 3.082 -6.036 873 HMD3 HEC 201 3HMD HEC 104 9.695 1.488 -5.316 874 HAD1 HEC 201 1HAD HEC 104 7.760 4.606 -6.244 875 HAD2 HEC 201 2HAD HEC 104 6.007 4.566 -6.178 876 HBD1 HEC 201 1HBD HEC 104 7.522 2.436 -7.661 877 HBD2 HEC 201 2HBD HEC 104 5.849 2.952 -7.872 Start of MODEL 12 1 H1 THR -5 1HT THR -5 -13.468 -11.036 -2.160 2 H2 THR -5 2HT THR -5 -11.915 -11.058 -2.848 3 H3 THR -5 3HT THR -5 -12.745 -9.586 -2.661 4 HA THR -5 HA THR -5 -11.667 -11.319 -0.506 5 HB THR -5 HB THR -5 -11.044 -8.463 -1.317 6 HG1 THR -5 1HG THR -5 -9.072 -9.391 -1.986 7 HG21 THR -5 1HG2 THR -5 -9.080 -9.743 0.340 8 HG22 THR -5 2HG2 THR -5 -10.659 -9.872 1.114 9 HG23 THR -5 3HG2 THR -5 -10.020 -8.288 0.674 10 H GLU -4 H GLU -4 -12.396 -10.854 1.576 11 HA GLU -4 HA GLU -4 -14.788 -9.083 1.714 12 HB2 GLU -4 2HB GLU -4 -15.012 -11.465 2.454 13 HB3 GLU -4 1HB GLU -4 -13.821 -11.146 3.716 14 HG2 GLU -4 2HG GLU -4 -16.007 -10.898 4.708 15 HG3 GLU -4 1HG GLU -4 -15.318 -9.283 4.536 16 H PHE -3 H PHE -3 -14.829 -7.331 3.124 17 HA PHE -3 HA PHE -3 -12.214 -6.629 4.360 18 HB2 PHE -3 2HB PHE -3 -13.249 -4.987 2.801 19 HB3 PHE -3 1HB PHE -3 -14.652 -4.891 3.865 20 HD1 PHE -3 1HD PHE -3 -11.018 -4.199 3.596 21 HD2 PHE -3 2HD PHE -3 -14.584 -3.669 5.933 22 HE1 PHE -3 1HE PHE -3 -9.850 -2.519 5.000 23 HE2 PHE -3 2HE PHE -3 -13.414 -1.990 7.335 24 HZ PHE -3 HZ PHE -3 -11.050 -1.416 6.869 25 H LYS -2 H LYS -2 -11.995 -6.657 6.547 26 HA LYS -2 HA LYS -2 -14.292 -7.441 8.196 27 HB2 LYS -2 2HB LYS -2 -11.392 -6.867 8.878 28 HB3 LYS -2 1HB LYS -2 -12.590 -7.458 10.031 29 HG2 LYS -2 2HG LYS -2 -12.930 -9.479 8.722 30 HG3 LYS -2 1HG LYS -2 -11.859 -8.877 7.455 31 HD2 LYS -2 2HD LYS -2 -10.696 -10.482 8.939 32 HD3 LYS -2 1HD LYS -2 -9.972 -8.876 9.027 33 HE2 LYS -2 2HE LYS -2 -10.859 -8.445 11.141 34 HE3 LYS -2 1HE LYS -2 -12.154 -9.627 10.949 35 HZ1 LYS -2 3HZ LYS -2 -9.268 -10.184 11.362 36 HZ2 LYS -2 1HZ LYS -2 -10.414 -11.374 10.977 37 HZ3 LYS -2 2HZ LYS -2 -10.540 -10.515 12.438 38 H ALA -1 H ALA -1 -14.494 -6.196 10.385 39 HA ALA -1 HA ALA -1 -15.603 -3.715 10.089 40 HB1 ALA -1 1HB ALA -1 -13.794 -4.336 12.435 41 HB2 ALA -1 2HB ALA -1 -15.396 -5.049 12.244 42 HB3 ALA -1 3HB ALA -1 -15.223 -3.303 12.425 43 H GLY 1 H GLY 1 -12.197 -4.434 9.945 44 HA2 GLY 1 2HA GLY 1 -10.556 -3.017 8.949 45 HA3 GLY 1 1HA GLY 1 -11.692 -1.673 9.050 46 H SER 2 H SER 2 -9.482 -3.672 10.971 47 HA SER 2 HA SER 2 -9.337 -1.424 12.949 48 HB2 SER 2 2HB SER 2 -8.876 -4.382 13.442 49 HB3 SER 2 1HB SER 2 -8.749 -3.103 14.646 50 HG SER 2 HG SER 2 -11.097 -3.021 13.272 51 H ALA 3 H ALA 3 -7.254 -0.734 13.511 52 HA ALA 3 HA ALA 3 -5.131 -1.440 11.637 53 HB1 ALA 3 1HB ALA 3 -5.130 0.837 12.280 54 HB2 ALA 3 2HB ALA 3 -3.790 0.136 13.188 55 HB3 ALA 3 3HB ALA 3 -5.333 0.440 13.986 56 H LYS 4 H LYS 4 -4.646 -1.125 15.122 57 HA LYS 4 HA LYS 4 -3.253 -2.426 16.508 58 HB2 LYS 4 2HB LYS 4 -5.465 -3.580 16.586 59 HB3 LYS 4 1HB LYS 4 -4.950 -4.609 15.253 60 HG2 LYS 4 2HG LYS 4 -4.479 -5.916 17.154 61 HG3 LYS 4 1HG LYS 4 -2.919 -5.190 16.776 62 HD2 LYS 4 2HD LYS 4 -3.207 -3.507 18.486 63 HD3 LYS 4 1HD LYS 4 -4.877 -4.002 18.760 64 HE2 LYS 4 2HE LYS 4 -4.169 -6.136 19.641 65 HE3 LYS 4 1HE LYS 4 -2.497 -5.828 19.176 66 HZ1 LYS 4 3HZ LYS 4 -2.500 -3.919 20.697 67 HZ2 LYS 4 1HZ LYS 4 -2.785 -5.383 21.504 68 HZ3 LYS 4 2HZ LYS 4 -4.075 -4.322 21.191 69 H LYS 5 H LYS 5 -3.497 -5.240 14.499 70 HA LYS 5 HA LYS 5 -0.670 -5.514 14.258 71 HB2 LYS 5 2HB LYS 5 -2.898 -6.765 12.624 72 HB3 LYS 5 1HB LYS 5 -1.214 -7.288 12.588 73 HG2 LYS 5 2HG LYS 5 -1.333 -7.698 15.050 74 HG3 LYS 5 1HG LYS 5 -3.048 -7.293 15.003 75 HD2 LYS 5 2HD LYS 5 -3.388 -9.116 13.327 76 HD3 LYS 5 1HD LYS 5 -1.693 -9.565 13.523 77 HE2 LYS 5 2HE LYS 5 -2.534 -10.963 15.124 78 HE3 LYS 5 1HE LYS 5 -2.469 -9.509 16.121 79 HZ1 LYS 5 3HZ LYS 5 -4.827 -10.328 14.516 80 HZ2 LYS 5 1HZ LYS 5 -4.745 -9.048 15.626 81 HZ3 LYS 5 2HZ LYS 5 -4.641 -10.653 16.174 82 H GLY 6 H GLY 6 -3.105 -4.288 11.951 83 HA2 GLY 6 2HA GLY 6 -1.343 -3.922 9.750 84 HA3 GLY 6 1HA GLY 6 -2.822 -3.000 10.010 85 H ALA 7 H ALA 7 -2.056 -1.824 12.525 86 HA ALA 7 HA ALA 7 -0.641 0.471 11.581 87 HB1 ALA 7 1HB ALA 7 -1.712 1.176 13.447 88 HB2 ALA 7 2HB ALA 7 -0.332 0.526 14.333 89 HB3 ALA 7 3HB ALA 7 -1.781 -0.455 14.116 90 H THR 8 H THR 8 0.440 -2.146 13.772 91 HA THR 8 HA THR 8 3.169 -1.185 13.814 92 HB THR 8 HB THR 8 3.659 -3.273 14.970 93 HG1 THR 8 1HG THR 8 2.602 -4.966 14.390 94 HG21 THR 8 3HG2 THR 8 2.117 -3.084 16.817 95 HG22 THR 8 1HG2 THR 8 0.892 -2.356 15.778 96 HG23 THR 8 2HG2 THR 8 2.367 -1.467 16.158 97 H LEU 9 H LEU 9 1.404 -3.629 11.931 98 HA LEU 9 HA LEU 9 3.637 -4.785 10.597 99 HB2 LEU 9 2HB LEU 9 1.259 -5.617 10.466 100 HB3 LEU 9 1HB LEU 9 0.893 -4.251 9.411 101 HG LEU 9 HG LEU 9 2.980 -5.149 8.055 102 HD11 LEU 9 1HD1 LEU 9 3.189 -6.944 9.984 103 HD12 LEU 9 2HD1 LEU 9 3.500 -7.401 8.310 104 HD13 LEU 9 3HD1 LEU 9 1.946 -7.780 9.054 105 HD21 LEU 9 3HD2 LEU 9 1.387 -6.623 6.768 106 HD22 LEU 9 1HD2 LEU 9 0.761 -5.009 7.101 107 HD23 LEU 9 2HD2 LEU 9 0.211 -6.384 8.061 108 H PHE 10 H PHE 10 1.696 -1.917 9.922 109 HA PHE 10 HA PHE 10 2.949 -1.171 7.460 110 HB2 PHE 10 2HB PHE 10 0.805 -0.219 8.363 111 HB3 PHE 10 1HB PHE 10 1.744 0.634 9.584 112 HD1 PHE 10 2HD PHE 10 1.118 0.320 5.940 113 HD2 PHE 10 1HD PHE 10 2.993 2.602 9.058 114 HE1 PHE 10 2HE PHE 10 1.569 2.151 4.330 115 HE2 PHE 10 1HE PHE 10 3.434 4.433 7.450 116 HZ PHE 10 HZ PHE 10 2.733 4.207 5.089 117 H LYS 11 H LYS 11 3.562 -0.245 10.832 118 HA LYS 11 HA LYS 11 5.760 1.501 10.343 119 HB2 LYS 11 2HB LYS 11 4.443 1.226 12.508 120 HB3 LYS 11 1HB LYS 11 5.379 -0.239 12.788 121 HG2 LYS 11 2HG LYS 11 7.474 1.077 12.635 122 HG3 LYS 11 1HG LYS 11 6.519 2.545 12.421 123 HD2 LYS 11 2HD LYS 11 5.406 2.069 14.619 124 HD3 LYS 11 1HD LYS 11 6.520 0.720 14.841 125 HE2 LYS 11 2HE LYS 11 8.351 2.560 14.331 126 HE3 LYS 11 1HE LYS 11 7.082 3.664 14.861 127 HZ1 LYS 11 3HZ LYS 11 8.578 1.686 16.382 128 HZ2 LYS 11 1HZ LYS 11 6.932 1.834 16.765 129 HZ3 LYS 11 2HZ LYS 11 7.953 3.189 16.869 130 H THR 12 H THR 12 5.602 -1.993 10.892 131 HA THR 12 HA THR 12 8.451 -2.367 11.066 132 HB THR 12 HB THR 12 7.951 -4.744 10.887 133 HG1 THR 12 1HG THR 12 5.279 -4.018 10.342 134 HG21 THR 12 3HG2 THR 12 6.575 -2.916 12.674 135 HG22 THR 12 1HG2 THR 12 7.314 -4.477 13.029 136 HG23 THR 12 2HG2 THR 12 5.650 -4.401 12.449 137 H ARG 13 H ARG 13 6.220 -2.312 8.305 138 HA ARG 13 HA ARG 13 8.603 -2.419 6.554 139 HB2 ARG 13 2HB ARG 13 6.276 -4.345 6.351 140 HB3 ARG 13 1HB ARG 13 7.495 -4.136 5.094 141 HG2 ARG 13 2HG ARG 13 9.257 -4.709 6.784 142 HG3 ARG 13 1HG ARG 13 7.973 -5.060 7.941 143 HD2 ARG 13 2HD ARG 13 7.037 -6.714 6.288 144 HD3 ARG 13 1HD ARG 13 8.478 -6.459 5.304 145 HE ARG 13 HE ARG 13 9.435 -7.095 7.853 146 HH11 ARG 13 1HH2 ARG 13 7.373 -8.474 5.458 147 HH12 ARG 13 2HH2 ARG 13 7.762 -10.110 5.875 148 HH21 ARG 13 1HH1 ARG 13 9.956 -9.224 8.410 149 HH22 ARG 13 2HH1 ARG 13 9.224 -10.534 7.545 150 H CYS 14 H CYS 14 7.271 -0.078 6.828 151 HA CYS 14 HA CYS 14 6.319 0.411 4.165 152 HB2 CYS 14 2HB CYS 14 4.371 -0.810 5.482 153 HB3 CYS 14 1HB CYS 14 4.103 0.811 6.120 154 H LEU 15 H LEU 15 5.798 1.623 7.492 155 HA LEU 15 HA LEU 15 5.608 4.359 6.830 156 HB2 LEU 15 2HB LEU 15 5.162 3.398 9.093 157 HB3 LEU 15 1HB LEU 15 6.898 3.194 9.313 158 HG LEU 15 HG LEU 15 7.056 5.733 8.784 159 HD11 LEU 15 1HD1 LEU 15 4.956 6.937 9.549 160 HD12 LEU 15 2HD1 LEU 15 4.108 5.399 9.393 161 HD13 LEU 15 3HD1 LEU 15 4.833 6.158 7.974 162 HD21 LEU 15 3HD2 LEU 15 7.532 4.894 10.988 163 HD22 LEU 15 1HD2 LEU 15 5.820 4.619 11.311 164 HD23 LEU 15 2HD2 LEU 15 6.438 6.264 11.180 165 H GLN 16 H GLN 16 8.494 2.364 7.321 166 HA GLN 16 HA GLN 16 10.424 4.435 7.374 167 HB2 GLN 16 2HB GLN 16 10.648 1.673 6.135 168 HB3 GLN 16 1HB GLN 16 12.007 2.724 6.540 169 HG2 GLN 16 2HG GLN 16 9.963 1.663 8.514 170 HG3 GLN 16 1HG GLN 16 11.605 1.051 8.318 171 HE21 GLN 16 1HE2 GLN 16 9.967 2.844 10.445 172 HE22 GLN 16 2HE2 GLN 16 11.133 4.002 10.869 173 H CYS 17 H CYS 17 8.740 2.941 4.645 174 HA CYS 17 HA CYS 17 10.308 4.620 2.762 175 HB2 CYS 17 2HB CYS 17 8.322 2.383 2.318 176 HB3 CYS 17 1HB CYS 17 9.093 3.290 1.018 177 H HIS 18 H HIS 18 6.909 4.009 3.695 178 HA HIS 18 HA HIS 18 6.139 6.421 2.120 179 HB2 HIS 18 2HB HIS 18 4.552 4.093 3.226 180 HB3 HIS 18 1HB HIS 18 3.784 5.538 2.552 181 HD1 HIS 18 1HD HIS 18 4.466 6.084 -0.030 182 HD2 HIS 18 2HD HIS 18 5.382 2.263 1.347 183 HE1 HIS 18 1HE HIS 18 4.862 4.655 -2.092 184 H THR 19 H THR 19 5.572 8.261 3.155 185 HA THR 19 HA THR 19 5.548 8.258 6.111 186 HB THR 19 HB THR 19 5.792 10.632 5.947 187 HG1 THR 19 1HG THR 19 4.425 11.359 4.489 188 HG21 THR 19 3HG2 THR 19 7.341 10.259 3.529 189 HG22 THR 19 1HG2 THR 19 7.510 8.860 4.590 190 HG23 THR 19 2HG2 THR 19 7.903 10.472 5.186 191 H VAL 20 H VAL 20 3.333 8.509 3.434 192 HA VAL 20 HA VAL 20 1.004 8.808 3.370 193 HB VAL 20 HB VAL 20 0.998 8.005 6.277 194 HG11 VAL 20 1HG1 VAL 20 -0.836 7.560 3.907 195 HG12 VAL 20 2HG1 VAL 20 -1.170 8.516 5.351 196 HG13 VAL 20 3HG1 VAL 20 -1.046 6.760 5.464 197 HG21 VAL 20 3HG2 VAL 20 0.985 5.632 5.372 198 HG22 VAL 20 1HG2 VAL 20 2.538 6.464 5.271 199 HG23 VAL 20 2HG2 VAL 20 1.531 6.300 3.833 200 H GLU 21 H GLU 21 2.964 10.779 5.139 201 HA GLU 21 HA GLU 21 0.731 12.344 6.329 202 HB2 GLU 21 2HB GLU 21 2.786 11.885 7.692 203 HB3 GLU 21 1HB GLU 21 3.719 12.824 6.525 204 HG2 GLU 21 2HG GLU 21 2.239 14.781 6.967 205 HG3 GLU 21 1HG GLU 21 1.409 13.838 8.206 206 H LYS 22 H LYS 22 -0.082 14.049 5.215 207 HA LYS 22 HA LYS 22 1.037 14.847 2.671 208 HB2 LYS 22 2HB LYS 22 -0.775 16.447 2.584 209 HB3 LYS 22 1HB LYS 22 -1.409 14.956 3.281 210 HG2 LYS 22 2HG LYS 22 -1.016 15.925 5.562 211 HG3 LYS 22 1HG LYS 22 -0.566 17.447 4.790 212 HD2 LYS 22 2HD LYS 22 -2.823 17.366 3.607 213 HD3 LYS 22 1HD LYS 22 -3.250 16.058 4.710 214 HE2 LYS 22 2HE LYS 22 -2.532 17.657 6.600 215 HE3 LYS 22 1HE LYS 22 -2.604 18.930 5.380 216 HZ1 LYS 22 3HZ LYS 22 -4.801 18.960 5.507 217 HZ2 LYS 22 1HZ LYS 22 -4.708 17.902 6.830 218 HZ3 LYS 22 2HZ LYS 22 -4.910 17.282 5.260 219 H GLY 23 H GLY 23 1.027 16.275 5.925 220 HA2 GLY 23 2HA GLY 23 2.233 18.761 5.248 221 HA3 GLY 23 1HA GLY 23 2.343 17.992 6.831 222 H GLY 24 H GLY 24 3.655 15.594 5.945 223 HA2 GLY 24 2HA GLY 24 6.385 16.602 5.850 224 HA3 GLY 24 1HA GLY 24 5.914 14.903 5.883 225 HA PRO 25 HA PRO 25 6.960 16.428 1.463 226 HB2 PRO 25 2HB PRO 25 9.612 15.848 1.286 227 HB3 PRO 25 1HB PRO 25 9.019 17.414 1.870 228 HG2 PRO 25 2HG PRO 25 9.996 15.064 3.422 229 HG3 PRO 25 1HG PRO 25 10.311 16.789 3.670 230 HD2 PRO 25 2HD PRO 25 8.466 15.392 5.134 231 HD3 PRO 25 1HD PRO 25 8.321 17.132 4.797 232 H HIS 26 H HIS 26 8.844 14.764 0.090 233 HA HIS 26 HA HIS 26 7.485 12.127 0.392 234 HB2 HIS 26 2HB HIS 26 8.949 13.407 -1.931 235 HB3 HIS 26 1HB HIS 26 8.428 11.723 -1.932 236 HD1 HIS 26 1HD HIS 26 5.930 11.242 -2.232 237 HD2 HIS 26 2HD HIS 26 6.780 15.318 -1.972 238 HE1 HIS 26 1HE HIS 26 3.807 12.460 -2.895 239 HE2 HIS 26 2HE HIS 26 4.313 14.942 -2.732 240 H LYS 27 H LYS 27 8.667 10.373 1.022 241 HA LYS 27 HA LYS 27 11.589 10.784 1.422 242 HB2 LYS 27 2HB LYS 27 9.627 8.830 2.656 243 HB3 LYS 27 1HB LYS 27 11.363 8.759 2.934 244 HG2 LYS 27 2HG LYS 27 11.246 11.175 3.684 245 HG3 LYS 27 1HG LYS 27 9.490 11.019 3.645 246 HD2 LYS 27 2HD LYS 27 9.688 9.061 5.205 247 HD3 LYS 27 1HD LYS 27 11.416 9.385 5.322 248 HE2 LYS 27 2HE LYS 27 11.097 11.084 6.770 249 HE3 LYS 27 1HE LYS 27 9.833 11.794 5.766 250 HZ1 LYS 27 3HZ LYS 27 8.233 10.825 6.964 251 HZ2 LYS 27 1HZ LYS 27 9.425 10.616 8.153 252 HZ3 LYS 27 2HZ LYS 27 9.064 9.347 7.082 253 H VAL 28 H VAL 28 11.913 7.781 1.612 254 HA VAL 28 HA VAL 28 12.933 7.254 -0.930 255 HB VAL 28 HB VAL 28 11.778 5.353 1.126 256 HG11 VAL 28 1HG1 VAL 28 13.252 4.806 -1.462 257 HG12 VAL 28 2HG1 VAL 28 11.686 4.170 -0.958 258 HG13 VAL 28 3HG1 VAL 28 13.158 3.632 -0.148 259 HG21 VAL 28 3HG2 VAL 28 14.243 4.904 1.471 260 HG22 VAL 28 1HG2 VAL 28 13.740 6.538 1.902 261 HG23 VAL 28 2HG2 VAL 28 14.579 6.246 0.379 262 H GLY 29 H GLY 29 9.638 6.615 0.264 263 HA2 GLY 29 2HA GLY 29 8.843 6.047 -2.568 264 HA3 GLY 29 1HA GLY 29 8.050 5.312 -1.175 265 HA PRO 30 HA PRO 30 6.171 9.537 -2.570 266 HB2 PRO 30 2HB PRO 30 3.823 8.425 -3.576 267 HB3 PRO 30 1HB PRO 30 5.201 8.960 -4.555 268 HG2 PRO 30 2HG PRO 30 4.442 6.226 -3.691 269 HG3 PRO 30 1HG PRO 30 5.188 6.773 -5.202 270 HD2 PRO 30 2HD PRO 30 6.623 5.543 -3.247 271 HD3 PRO 30 1HD PRO 30 7.330 6.786 -4.303 272 H ASN 31 H ASN 31 4.437 10.528 -1.374 273 HA ASN 31 HA ASN 31 3.696 9.055 1.056 274 HB2 ASN 31 2HB ASN 31 2.875 11.843 0.191 275 HB3 ASN 31 1HB ASN 31 2.786 11.173 1.820 276 HD21 ASN 31 1HD2 ASN 31 5.318 9.893 1.986 277 HD22 ASN 31 2HD2 ASN 31 6.535 11.073 1.905 278 H LEU 32 H LEU 32 1.635 8.307 1.548 279 HA LEU 32 HA LEU 32 -0.294 8.280 -0.712 280 HB2 LEU 32 2HB LEU 32 -0.225 6.699 1.879 281 HB3 LEU 32 1HB LEU 32 -1.448 6.522 0.624 282 HG LEU 32 HG LEU 32 0.416 6.014 -1.005 283 HD11 LEU 32 1HD1 LEU 32 2.473 6.609 -0.238 284 HD12 LEU 32 2HD1 LEU 32 2.429 5.047 0.582 285 HD13 LEU 32 3HD1 LEU 32 1.979 6.512 1.451 286 HD21 LEU 32 3HD2 LEU 32 0.321 4.122 1.357 287 HD22 LEU 32 1HD2 LEU 32 0.580 3.710 -0.338 288 HD23 LEU 32 2HD2 LEU 32 -0.999 4.284 0.199 289 H HIS 33 H HIS 33 -2.316 9.219 -0.552 290 HA HIS 33 HA HIS 33 -3.546 10.024 1.913 291 HB2 HIS 33 2HB HIS 33 -3.271 12.452 1.746 292 HB3 HIS 33 1HB HIS 33 -1.684 11.691 1.860 293 HD1 HIS 33 1HD HIS 33 -0.441 11.300 -0.530 294 HD2 HIS 33 2HD HIS 33 -3.605 14.019 -0.526 295 HE1 HIS 33 1HE HIS 33 -0.214 12.671 -2.651 296 HE2 HIS 33 2HE HIS 33 -2.134 14.328 -2.657 297 H GLY 34 H GLY 34 -5.371 9.116 0.891 298 HA2 GLY 34 2HA GLY 34 -7.455 9.571 -0.202 299 HA3 GLY 34 1HA GLY 34 -6.680 10.898 -1.074 300 H ILE 35 H ILE 35 -4.681 8.221 -1.118 301 HA ILE 35 HA ILE 35 -4.826 7.848 -3.926 302 HB ILE 35 HB ILE 35 -2.950 7.139 -2.342 303 HG12 ILE 35 2HG1 ILE 35 -3.875 4.950 -4.219 304 HG13 ILE 35 1HG1 ILE 35 -3.219 6.481 -4.801 305 HG21 ILE 35 1HG2 ILE 35 -3.106 4.998 -1.272 306 HG22 ILE 35 2HG2 ILE 35 -4.632 4.636 -2.078 307 HG23 ILE 35 3HG2 ILE 35 -4.567 5.880 -0.831 308 HD11 ILE 35 3HD1 ILE 35 -1.185 6.049 -3.360 309 HD12 ILE 35 1HD1 ILE 35 -1.388 4.923 -4.700 310 HD13 ILE 35 2HD1 ILE 35 -1.822 4.432 -3.063 311 H PHE 36 H PHE 36 -6.775 6.544 -1.356 312 HA PHE 36 HA PHE 36 -7.757 4.215 -2.700 313 HB2 PHE 36 2HB PHE 36 -8.997 5.998 -0.586 314 HB3 PHE 36 1HB PHE 36 -9.708 4.478 -1.123 315 HD1 PHE 36 2HD PHE 36 -8.603 2.331 -0.670 316 HD2 PHE 36 1HD PHE 36 -6.960 6.038 0.756 317 HE1 PHE 36 2HE PHE 36 -7.121 1.080 0.873 318 HE2 PHE 36 1HE PHE 36 -5.478 4.783 2.300 319 HZ PHE 36 HZ PHE 36 -5.559 2.305 2.355 320 H GLY 37 H GLY 37 -9.336 4.006 -4.255 321 HA2 GLY 37 2HA GLY 37 -11.059 4.636 -5.738 322 HA3 GLY 37 1HA GLY 37 -11.282 6.104 -4.785 323 H ARG 38 H ARG 38 -8.103 5.301 -5.936 324 HA ARG 38 HA ARG 38 -8.354 7.403 -8.047 325 HB2 ARG 38 2HB ARG 38 -5.952 6.900 -6.267 326 HB3 ARG 38 1HB ARG 38 -6.103 8.166 -7.484 327 HG2 ARG 38 2HG ARG 38 -7.964 7.918 -5.108 328 HG3 ARG 38 1HG ARG 38 -6.520 8.928 -5.105 329 HD2 ARG 38 2HD ARG 38 -7.453 10.049 -7.198 330 HD3 ARG 38 1HD ARG 38 -8.965 9.205 -6.866 331 HE ARG 38 HE ARG 38 -8.003 11.533 -5.456 332 HH11 ARG 38 1HH2 ARG 38 -9.657 8.525 -5.149 333 HH12 ARG 38 2HH2 ARG 38 -10.593 9.026 -3.781 334 HH21 ARG 38 1HH1 ARG 38 -9.217 12.207 -3.671 335 HH22 ARG 38 2HH1 ARG 38 -10.344 11.111 -2.944 336 H HIS 39 H HIS 39 -7.034 7.074 -9.917 337 HA HIS 39 HA HIS 39 -5.957 4.299 -10.169 338 HB2 HIS 39 2HB HIS 39 -8.099 5.186 -11.518 339 HB3 HIS 39 1HB HIS 39 -6.838 5.792 -12.591 340 HD1 HIS 39 1HD HIS 39 -8.886 3.201 -12.912 341 HD2 HIS 39 2HD HIS 39 -4.763 3.181 -12.277 342 HE1 HIS 39 1HE HIS 39 -8.042 0.961 -13.744 343 HE2 HIS 39 2HE HIS 39 -5.535 0.939 -13.363 344 H SER 40 H SER 40 -3.886 4.116 -10.929 345 HA SER 40 HA SER 40 -1.864 4.736 -11.975 346 HB2 SER 40 2HB SER 40 -2.752 7.541 -12.444 347 HB3 SER 40 1HB SER 40 -1.822 6.467 -13.484 348 HG SER 40 HG SER 40 -3.723 5.341 -13.934 349 H GLY 41 H GLY 41 -0.253 6.812 -11.701 350 HA2 GLY 41 2HA GLY 41 0.071 7.048 -8.801 351 HA3 GLY 41 1HA GLY 41 1.198 7.636 -10.024 352 H GLN 42 H GLN 42 -2.070 8.343 -8.745 353 HA GLN 42 HA GLN 42 -2.264 10.970 -9.807 354 HB2 GLN 42 2HB GLN 42 -4.145 9.689 -8.747 355 HB3 GLN 42 1HB GLN 42 -3.416 10.010 -7.172 356 HG2 GLN 42 2HG GLN 42 -3.530 12.463 -7.680 357 HG3 GLN 42 1HG GLN 42 -4.407 12.074 -9.159 358 HE21 GLN 42 1HE2 GLN 42 -6.586 12.520 -8.792 359 HE22 GLN 42 2HE2 GLN 42 -7.443 12.086 -7.393 360 H ALA 43 H ALA 43 -0.749 9.795 -6.813 361 HA ALA 43 HA ALA 43 -0.314 12.282 -5.548 362 HB1 ALA 43 1HB ALA 43 0.365 10.565 -4.173 363 HB2 ALA 43 2HB ALA 43 1.939 11.004 -4.838 364 HB3 ALA 43 3HB ALA 43 1.051 9.631 -5.502 365 H GLU 44 H GLU 44 1.231 13.887 -5.794 366 HA GLU 44 HA GLU 44 3.093 13.601 -8.121 367 HB2 GLU 44 2HB GLU 44 1.615 16.091 -7.210 368 HB3 GLU 44 1HB GLU 44 2.764 16.012 -8.546 369 HG2 GLU 44 2HG GLU 44 1.310 14.333 -9.667 370 HG3 GLU 44 1HG GLU 44 0.140 14.503 -8.358 371 H GLY 45 H GLY 45 5.016 15.075 -7.935 372 HA2 GLY 45 2HA GLY 45 6.505 16.413 -6.545 373 HA3 GLY 45 1HA GLY 45 5.689 15.772 -5.119 374 H TYR 46 H TYR 46 5.905 13.094 -6.861 375 HA TYR 46 HA TYR 46 8.755 12.527 -6.183 376 HB2 TYR 46 2HB TYR 46 7.195 11.699 -4.371 377 HB3 TYR 46 1HB TYR 46 6.476 10.628 -5.574 378 HD1 TYR 46 1HD TYR 46 9.684 11.516 -3.901 379 HD2 TYR 46 2HD TYR 46 7.530 8.588 -6.188 380 HE1 TYR 46 1HE TYR 46 11.521 9.890 -3.547 381 HE2 TYR 46 2HE TYR 46 9.373 6.961 -5.837 382 HH TYR 46 HH TYR 46 12.039 7.291 -5.312 383 H SER 47 H SER 47 9.774 11.163 -7.659 384 HA SER 47 HA SER 47 8.510 10.850 -10.242 385 HB2 SER 47 2HB SER 47 10.585 9.896 -10.949 386 HB3 SER 47 1HB SER 47 11.001 11.154 -9.787 387 HG SER 47 HG SER 47 11.994 9.595 -8.790 388 H TYR 48 H TYR 48 8.195 8.772 -11.342 389 HA TYR 48 HA TYR 48 7.452 6.577 -9.446 390 HB2 TYR 48 2HB TYR 48 6.088 7.606 -11.930 391 HB3 TYR 48 1HB TYR 48 5.811 5.961 -11.361 392 HD1 TYR 48 1HD TYR 48 5.950 9.462 -10.001 393 HD2 TYR 48 2HD TYR 48 4.071 5.600 -9.866 394 HE1 TYR 48 1HE TYR 48 4.331 10.306 -8.321 395 HE2 TYR 48 2HE TYR 48 2.457 6.443 -8.187 396 HH TYR 48 HH TYR 48 1.850 8.155 -6.922 397 H THR 49 H THR 49 7.954 4.438 -10.115 398 HA THR 49 HA THR 49 10.221 4.256 -11.953 399 HB THR 49 HB THR 49 10.290 1.906 -11.320 400 HG1 THR 49 1HG THR 49 7.747 2.120 -11.184 401 HG21 THR 49 3HG2 THR 49 11.305 2.841 -9.523 402 HG22 THR 49 1HG2 THR 49 9.824 2.420 -8.666 403 HG23 THR 49 2HG2 THR 49 10.036 4.046 -9.315 404 H ASP 50 H ASP 50 10.220 2.757 -13.808 405 HA ASP 50 HA ASP 50 8.088 3.217 -15.616 406 HB2 ASP 50 2HB ASP 50 10.202 1.060 -15.591 407 HB3 ASP 50 1HB ASP 50 9.127 1.362 -16.955 408 H ALA 51 H ALA 51 8.600 0.655 -13.273 409 HA ALA 51 HA ALA 51 6.860 -1.326 -14.187 410 HB1 ALA 51 1HB ALA 51 6.828 -2.148 -12.002 411 HB2 ALA 51 2HB ALA 51 6.819 -0.536 -11.287 412 HB3 ALA 51 3HB ALA 51 8.297 -1.175 -12.005 413 H ASN 52 H ASN 52 5.733 0.868 -11.592 414 HA ASN 52 HA ASN 52 2.992 0.409 -12.063 415 HB2 ASN 52 2HB ASN 52 3.882 1.523 -10.034 416 HB3 ASN 52 1HB ASN 52 4.239 2.957 -10.996 417 HD21 ASN 52 1HD2 ASN 52 1.502 0.884 -9.909 418 HD22 ASN 52 2HD2 ASN 52 0.325 2.096 -10.079 419 H ILE 53 H ILE 53 5.058 2.994 -13.450 420 HA ILE 53 HA ILE 53 2.962 4.349 -14.809 421 HB ILE 53 HB ILE 53 5.847 4.020 -15.691 422 HG12 ILE 53 2HG1 ILE 53 4.559 6.165 -13.971 423 HG13 ILE 53 1HG1 ILE 53 5.578 4.866 -13.352 424 HG21 ILE 53 1HG2 ILE 53 4.611 6.562 -16.236 425 HG22 ILE 53 2HG2 ILE 53 3.619 5.267 -16.904 426 HG23 ILE 53 3HG2 ILE 53 5.313 5.410 -17.374 427 HD11 ILE 53 3HD1 ILE 53 6.332 7.245 -15.001 428 HD12 ILE 53 1HD1 ILE 53 7.255 5.757 -15.209 429 HD13 ILE 53 2HD1 ILE 53 7.169 6.527 -13.626 430 H LYS 54 H LYS 54 5.142 1.758 -15.954 431 HA LYS 54 HA LYS 54 3.975 1.482 -18.542 432 HB2 LYS 54 2HB LYS 54 6.144 0.444 -17.820 433 HB3 LYS 54 1HB LYS 54 5.222 -0.708 -16.851 434 HG2 LYS 54 2HG LYS 54 4.033 -1.453 -18.900 435 HG3 LYS 54 1HG LYS 54 5.020 -0.345 -19.855 436 HD2 LYS 54 2HD LYS 54 7.064 -1.522 -19.003 437 HD3 LYS 54 1HD LYS 54 6.008 -2.697 -18.218 438 HE2 LYS 54 2HE LYS 54 5.958 -3.845 -20.153 439 HE3 LYS 54 1HE LYS 54 5.071 -2.497 -20.866 440 HZ1 LYS 54 3HZ LYS 54 8.029 -2.740 -20.740 441 HZ2 LYS 54 1HZ LYS 54 7.170 -1.456 -21.438 442 HZ3 LYS 54 2HZ LYS 54 7.074 -3.010 -22.119 443 H LYS 55 H LYS 55 3.160 0.089 -15.401 444 HA LYS 55 HA LYS 55 0.618 -0.935 -16.607 445 HB2 LYS 55 2HB LYS 55 2.158 -2.788 -15.974 446 HB3 LYS 55 1HB LYS 55 2.197 -2.166 -14.325 447 HG2 LYS 55 2HG LYS 55 -0.254 -2.470 -14.156 448 HG3 LYS 55 1HG LYS 55 -0.277 -3.125 -15.795 449 HD2 LYS 55 2HD LYS 55 1.325 -4.903 -15.044 450 HD3 LYS 55 1HD LYS 55 1.157 -4.297 -13.396 451 HE2 LYS 55 2HE LYS 55 -0.744 -5.468 -13.133 452 HE3 LYS 55 1HE LYS 55 -1.460 -4.646 -14.520 453 HZ1 LYS 55 3HZ LYS 55 -1.357 -7.059 -14.817 454 HZ2 LYS 55 1HZ LYS 55 0.332 -7.007 -14.679 455 HZ3 LYS 55 2HZ LYS 55 -0.437 -6.239 -15.986 456 H ASN 56 H ASN 56 -0.974 0.384 -15.854 457 HA ASN 56 HA ASN 56 -0.700 1.488 -13.100 458 HB2 ASN 56 2HB ASN 56 -2.117 2.400 -15.573 459 HB3 ASN 56 1HB ASN 56 -2.775 2.867 -14.004 460 HD21 ASN 56 1HD2 ASN 56 -0.370 3.163 -12.521 461 HD22 ASN 56 2HD2 ASN 56 0.524 4.451 -13.169 462 H VAL 57 H VAL 57 -2.296 1.139 -11.574 463 HA VAL 57 HA VAL 57 -4.495 -0.733 -12.330 464 HB VAL 57 HB VAL 57 -2.664 -1.980 -11.239 465 HG11 VAL 57 1HG1 VAL 57 -3.119 -0.553 -8.667 466 HG12 VAL 57 2HG1 VAL 57 -2.170 0.298 -9.883 467 HG13 VAL 57 3HG1 VAL 57 -1.644 -1.281 -9.304 468 HG21 VAL 57 3HG2 VAL 57 -5.067 -1.552 -9.430 469 HG22 VAL 57 1HG2 VAL 57 -4.000 -2.956 -9.410 470 HG23 VAL 57 2HG2 VAL 57 -5.017 -2.642 -10.815 471 H LEU 58 H LEU 58 -6.419 -0.477 -11.092 472 HA LEU 58 HA LEU 58 -6.835 2.196 -10.024 473 HB2 LEU 58 2HB LEU 58 -8.634 0.964 -11.199 474 HB3 LEU 58 1HB LEU 58 -8.624 -0.256 -9.925 475 HG LEU 58 HG LEU 58 -9.192 1.514 -8.265 476 HD11 LEU 58 1HD1 LEU 58 -8.598 3.598 -8.970 477 HD12 LEU 58 2HD1 LEU 58 -10.204 3.599 -9.697 478 HD13 LEU 58 3HD1 LEU 58 -8.793 3.185 -10.673 479 HD21 LEU 58 3HD2 LEU 58 -11.170 0.510 -8.841 480 HD22 LEU 58 1HD2 LEU 58 -10.904 0.750 -10.568 481 HD23 LEU 58 2HD2 LEU 58 -11.495 2.081 -9.575 482 H TRP 59 H TRP 59 -6.559 2.815 -7.923 483 HA TRP 59 HA TRP 59 -5.857 0.701 -5.969 484 HB2 TRP 59 2HB TRP 59 -5.555 3.712 -5.942 485 HB3 TRP 59 1HB TRP 59 -5.184 2.694 -4.549 486 HD1 TRP 59 HD TRP 59 -3.736 3.939 -7.736 487 HE1 TRP 59 1HE TRP 59 -1.469 2.794 -8.194 488 HE3 TRP 59 3HE TRP 59 -3.895 0.235 -4.227 489 HZ2 TRP 59 2HZ TRP 59 0.071 0.594 -7.201 490 HZ3 TRP 59 3HZ TRP 59 -2.021 -1.365 -4.004 491 HH2 TRP 59 HH TRP 59 -0.040 -1.192 -5.484 492 H ASP 60 H ASP 60 -7.311 0.006 -4.555 493 HA ASP 60 HA ASP 60 -9.235 1.781 -3.274 494 HB2 ASP 60 2HB ASP 60 -11.234 0.491 -4.016 495 HB3 ASP 60 1HB ASP 60 -10.447 1.327 -5.356 496 H GLU 61 H GLU 61 -10.869 0.028 -2.022 497 HA GLU 61 HA GLU 61 -9.177 -1.254 -0.128 498 HB2 GLU 61 2HB GLU 61 -12.090 -1.798 -0.775 499 HB3 GLU 61 1HB GLU 61 -11.255 -2.356 0.675 500 HG2 GLU 61 2HG GLU 61 -10.763 -0.003 1.281 501 HG3 GLU 61 1HG GLU 61 -11.652 0.536 -0.144 502 H ASN 62 H ASN 62 -10.958 -2.610 -2.908 503 HA ASN 62 HA ASN 62 -10.146 -5.332 -2.386 504 HB2 ASN 62 2HB ASN 62 -12.115 -4.744 -3.775 505 HB3 ASN 62 1HB ASN 62 -11.034 -4.061 -4.992 506 HD21 ASN 62 1HD2 ASN 62 -9.949 -5.510 -6.407 507 HD22 ASN 62 2HD2 ASN 62 -10.158 -7.197 -6.353 508 H ASN 63 H ASN 63 -9.058 -2.980 -4.840 509 HA ASN 63 HA ASN 63 -6.966 -4.558 -5.906 510 HB2 ASN 63 2HB ASN 63 -7.910 -2.408 -6.854 511 HB3 ASN 63 1HB ASN 63 -6.923 -1.545 -5.674 512 HD21 ASN 63 1HD2 ASN 63 -4.896 -0.963 -6.450 513 HD22 ASN 63 2HD2 ASN 63 -4.052 -1.769 -7.681 514 H MET 64 H MET 64 -6.949 -2.327 -3.140 515 HA MET 64 HA MET 64 -4.143 -2.297 -2.702 516 HB2 MET 64 2HB MET 64 -6.466 -2.098 -0.770 517 HB3 MET 64 1HB MET 64 -4.787 -1.865 -0.283 518 HG2 MET 64 2HG MET 64 -5.759 -0.347 -2.661 519 HG3 MET 64 1HG MET 64 -6.302 0.186 -1.070 520 HE1 MET 64 3HE MET 64 -3.833 2.531 -2.476 521 HE2 MET 64 1HE MET 64 -4.370 2.732 -0.802 522 HE3 MET 64 2HE MET 64 -5.485 2.119 -2.020 523 H SER 65 H SER 65 -6.626 -4.592 -1.607 524 HA SER 65 HA SER 65 -4.844 -6.171 0.005 525 HB2 SER 65 2HB SER 65 -6.598 -7.846 -0.016 526 HB3 SER 65 1HB SER 65 -7.359 -6.262 0.102 527 HG SER 65 HG SER 65 -7.914 -6.372 -2.020 528 H GLU 66 H GLU 66 -5.693 -6.228 -3.430 529 HA GLU 66 HA GLU 66 -4.430 -8.734 -4.038 530 HB2 GLU 66 2HB GLU 66 -4.973 -6.301 -5.767 531 HB3 GLU 66 1HB GLU 66 -4.441 -7.864 -6.382 532 HG2 GLU 66 2HG GLU 66 -6.450 -8.925 -5.376 533 HG3 GLU 66 1HG GLU 66 -6.996 -7.335 -4.840 534 H HIS 67 H HIS 67 -3.262 -5.404 -3.862 535 HA HIS 67 HA HIS 67 -0.724 -5.770 -5.078 536 HB2 HIS 67 2HB HIS 67 -1.693 -3.568 -4.447 537 HB3 HIS 67 1HB HIS 67 -1.423 -3.958 -2.749 538 HD1 HIS 67 1HD HIS 67 0.654 -3.818 -5.949 539 HD2 HIS 67 2HD HIS 67 1.029 -3.067 -1.880 540 HE1 HIS 67 1HE HIS 67 2.994 -2.913 -5.612 541 HE2 HIS 67 2HE HIS 67 3.237 -2.457 -3.127 542 H LEU 68 H LEU 68 -1.691 -6.104 -1.667 543 HA LEU 68 HA LEU 68 0.910 -6.912 -0.749 544 HB2 LEU 68 2HB LEU 68 -1.824 -7.444 0.453 545 HB3 LEU 68 1HB LEU 68 -0.283 -7.606 1.291 546 HG LEU 68 HG LEU 68 -1.349 -5.040 0.084 547 HD11 LEU 68 1HD1 LEU 68 -1.199 -6.071 2.923 548 HD12 LEU 68 2HD1 LEU 68 -2.629 -5.525 2.047 549 HD13 LEU 68 3HD1 LEU 68 -1.400 -4.361 2.540 550 HD21 LEU 68 3HD2 LEU 68 1.249 -5.874 1.248 551 HD22 LEU 68 1HD2 LEU 68 0.633 -4.310 1.767 552 HD23 LEU 68 2HD2 LEU 68 0.902 -4.626 0.053 553 H THR 69 H THR 69 -1.845 -8.654 -2.079 554 HA THR 69 HA THR 69 -1.166 -11.276 -1.264 555 HB THR 69 HB THR 69 -2.394 -10.502 -3.920 556 HG1 THR 69 1HG THR 69 -3.310 -9.648 -1.838 557 HG21 THR 69 3HG2 THR 69 -1.921 -12.823 -3.933 558 HG22 THR 69 1HG2 THR 69 -3.610 -12.721 -3.432 559 HG23 THR 69 2HG2 THR 69 -2.348 -13.002 -2.230 560 H ASN 70 H ASN 70 0.054 -9.393 -4.029 561 HA ASN 70 HA ASN 70 2.412 -11.103 -4.145 562 HB2 ASN 70 2HB ASN 70 0.217 -11.336 -6.182 563 HB3 ASN 70 1HB ASN 70 1.894 -11.545 -6.687 564 HD21 ASN 70 1HD2 ASN 70 3.184 -13.177 -5.272 565 HD22 ASN 70 2HD2 ASN 70 2.346 -14.546 -4.724 566 HA PRO 71 HA PRO 71 2.693 -6.549 -5.395 567 HB2 PRO 71 2HB PRO 71 5.224 -6.972 -3.896 568 HB3 PRO 71 1HB PRO 71 4.061 -5.639 -3.795 569 HG2 PRO 71 2HG PRO 71 4.274 -7.563 -1.914 570 HG3 PRO 71 1HG PRO 71 2.764 -6.709 -2.269 571 HD2 PRO 71 2HD PRO 71 3.514 -9.505 -2.888 572 HD3 PRO 71 1HD PRO 71 1.906 -8.776 -2.737 573 H ALA 72 H ALA 72 4.638 -9.415 -5.764 574 HA ALA 72 HA ALA 72 6.734 -8.282 -7.378 575 HB1 ALA 72 1HB ALA 72 7.052 -10.451 -6.352 576 HB2 ALA 72 2HB ALA 72 7.092 -10.664 -8.102 577 HB3 ALA 72 3HB ALA 72 5.646 -11.104 -7.193 578 H LYS 73 H LYS 73 4.477 -10.697 -8.686 579 HA LYS 73 HA LYS 73 4.660 -9.774 -11.352 580 HB2 LYS 73 2HB LYS 73 3.724 -11.988 -10.644 581 HB3 LYS 73 1HB LYS 73 2.272 -11.152 -10.092 582 HG2 LYS 73 2HG LYS 73 1.935 -10.261 -12.385 583 HG3 LYS 73 1HG LYS 73 3.348 -11.166 -12.926 584 HD2 LYS 73 2HD LYS 73 2.231 -13.270 -12.134 585 HD3 LYS 73 1HD LYS 73 0.785 -12.317 -11.794 586 HE2 LYS 73 2HE LYS 73 0.204 -12.772 -13.938 587 HE3 LYS 73 1HE LYS 73 1.399 -11.549 -14.370 588 HZ1 LYS 73 3HZ LYS 73 1.456 -14.322 -14.869 589 HZ2 LYS 73 1HZ LYS 73 2.779 -13.911 -13.890 590 HZ3 LYS 73 2HZ LYS 73 2.549 -13.126 -15.381 591 H TYR 74 H TYR 74 2.510 -8.798 -8.740 592 HA TYR 74 HA TYR 74 0.593 -7.314 -10.182 593 HB2 TYR 74 2HB TYR 74 0.505 -7.782 -7.755 594 HB3 TYR 74 1HB TYR 74 1.856 -6.683 -7.501 595 HD1 TYR 74 2HD TYR 74 -1.720 -6.929 -8.384 596 HD2 TYR 74 1HD TYR 74 1.584 -4.289 -7.651 597 HE1 TYR 74 2HE TYR 74 -3.290 -5.017 -8.169 598 HE2 TYR 74 1HE TYR 74 0.017 -2.389 -7.429 599 HH TYR 74 HH TYR 74 -2.076 -1.757 -7.348 600 H ILE 75 H ILE 75 3.704 -6.164 -8.813 601 HA ILE 75 HA ILE 75 3.913 -4.229 -11.036 602 HB ILE 75 HB ILE 75 3.649 -3.450 -8.132 603 HG12 ILE 75 2HG1 ILE 75 2.638 -2.206 -10.712 604 HG13 ILE 75 1HG1 ILE 75 1.704 -3.310 -9.704 605 HG21 ILE 75 1HG2 ILE 75 5.452 -2.269 -10.189 606 HG22 ILE 75 2HG2 ILE 75 5.574 -2.231 -8.431 607 HG23 ILE 75 3HG2 ILE 75 4.483 -1.132 -9.261 608 HD11 ILE 75 3HD1 ILE 75 2.141 -1.669 -7.778 609 HD12 ILE 75 1HD1 ILE 75 1.020 -1.134 -9.031 610 HD13 ILE 75 2HD1 ILE 75 2.678 -0.535 -9.017 611 HA PRO 76 HA PRO 76 7.924 -6.106 -9.775 612 HB2 PRO 76 2HB PRO 76 8.572 -7.177 -12.176 613 HB3 PRO 76 1HB PRO 76 7.481 -7.992 -11.040 614 HG2 PRO 76 2HG PRO 76 6.859 -6.521 -13.531 615 HG3 PRO 76 1HG PRO 76 6.042 -7.910 -12.801 616 HD2 PRO 76 2HD PRO 76 5.196 -5.225 -12.638 617 HD3 PRO 76 1HD PRO 76 4.601 -6.570 -11.642 618 H GLY 77 H GLY 77 10.033 -5.280 -10.210 619 HA2 GLY 77 2HA GLY 77 11.632 -4.066 -11.572 620 HA3 GLY 77 1HA GLY 77 10.284 -3.323 -12.428 621 H THR 78 H THR 78 9.450 -3.238 -9.220 622 HA THR 78 HA THR 78 10.437 -0.436 -9.013 623 HB THR 78 HB THR 78 8.002 -0.749 -8.799 624 HG1 THR 78 1HG THR 78 9.509 0.621 -7.292 625 HG21 THR 78 3HG2 THR 78 8.761 -2.484 -6.436 626 HG22 THR 78 1HG2 THR 78 7.947 -3.013 -7.907 627 HG23 THR 78 2HG2 THR 78 7.125 -1.927 -6.786 628 H LYS 79 H LYS 79 10.911 0.232 -6.638 629 HA LYS 79 HA LYS 79 12.984 -1.600 -5.656 630 HB2 LYS 79 2HB LYS 79 12.092 1.104 -4.611 631 HB3 LYS 79 1HB LYS 79 13.556 0.244 -4.136 632 HG2 LYS 79 2HG LYS 79 14.315 0.298 -6.512 633 HG3 LYS 79 1HG LYS 79 12.896 1.265 -6.914 634 HD2 LYS 79 2HD LYS 79 14.998 2.050 -4.873 635 HD3 LYS 79 1HD LYS 79 14.918 2.669 -6.523 636 HE2 LYS 79 2HE LYS 79 13.637 4.312 -5.605 637 HE3 LYS 79 1HE LYS 79 12.354 3.105 -5.673 638 HZ1 LYS 79 3HZ LYS 79 13.619 2.464 -3.390 639 HZ2 LYS 79 1HZ LYS 79 12.238 3.444 -3.481 640 HZ3 LYS 79 2HZ LYS 79 13.778 4.155 -3.394 641 H MET 80 H MET 80 9.791 -1.757 -5.216 642 HA MET 80 HA MET 80 9.595 -1.789 -2.319 643 HB2 MET 80 2HB MET 80 7.793 -3.014 -4.431 644 HB3 MET 80 1HB MET 80 7.398 -2.882 -2.715 645 HG2 MET 80 2HG MET 80 8.175 -0.313 -3.339 646 HG3 MET 80 1HG MET 80 7.348 -0.822 -4.808 647 HE1 MET 80 3HE MET 80 5.109 -0.568 -5.198 648 HE2 MET 80 1HE MET 80 3.779 -0.973 -4.104 649 HE3 MET 80 2HE MET 80 4.924 -2.216 -4.603 650 H ALA 81 H ALA 81 10.454 -3.313 -1.044 651 HA ALA 81 HA ALA 81 10.936 -6.035 -2.178 652 HB1 ALA 81 1HB ALA 81 12.151 -5.398 0.422 653 HB2 ALA 81 2HB ALA 81 12.691 -4.342 -0.883 654 HB3 ALA 81 3HB ALA 81 12.891 -6.089 -1.023 655 H PHE 82 H PHE 82 8.409 -4.914 -1.049 656 HA PHE 82 HA PHE 82 8.022 -6.136 1.563 657 HB2 PHE 82 2HB PHE 82 6.736 -4.153 0.709 658 HB3 PHE 82 1HB PHE 82 5.948 -5.219 -0.452 659 HD1 PHE 82 2HD PHE 82 6.300 -4.365 3.121 660 HD2 PHE 82 1HD PHE 82 4.305 -6.857 0.250 661 HE1 PHE 82 2HE PHE 82 4.639 -5.020 4.843 662 HE2 PHE 82 1HE PHE 82 2.646 -7.515 1.971 663 HZ PHE 82 HZ PHE 82 2.809 -6.589 4.264 664 H GLY 83 H GLY 83 7.356 -8.213 1.979 665 HA2 GLY 83 2HA GLY 83 7.116 -10.063 -0.292 666 HA3 GLY 83 1HA GLY 83 7.139 -10.515 1.413 667 H GLY 84 H GLY 84 5.264 -11.807 0.029 668 HA2 GLY 84 2HA GLY 84 2.744 -10.260 0.127 669 HA3 GLY 84 1HA GLY 84 2.926 -11.885 -0.532 670 H LEU 85 H LEU 85 1.014 -10.810 1.521 671 HA LEU 85 HA LEU 85 1.840 -12.375 3.915 672 HB2 LEU 85 2HB LEU 85 -0.572 -10.574 3.538 673 HB3 LEU 85 1HB LEU 85 0.002 -11.257 5.059 674 HG LEU 85 HG LEU 85 1.484 -9.275 3.308 675 HD11 LEU 85 1HD1 LEU 85 0.852 -7.648 4.795 676 HD12 LEU 85 2HD1 LEU 85 0.843 -8.759 6.165 677 HD13 LEU 85 3HD1 LEU 85 -0.517 -8.732 5.042 678 HD21 LEU 85 3HD2 LEU 85 2.289 -10.947 5.667 679 HD22 LEU 85 1HD2 LEU 85 2.966 -9.328 5.499 680 HD23 LEU 85 2HD2 LEU 85 3.221 -10.525 4.230 681 H LYS 86 H LYS 86 0.832 -14.298 4.413 682 HA LYS 86 HA LYS 86 -1.119 -15.325 2.439 683 HB2 LYS 86 2HB LYS 86 0.274 -16.696 4.760 684 HB3 LYS 86 1HB LYS 86 -0.752 -17.498 3.569 685 HG2 LYS 86 2HG LYS 86 0.801 -16.626 1.777 686 HG3 LYS 86 1HG LYS 86 1.880 -16.086 3.063 687 HD2 LYS 86 2HD LYS 86 0.933 -18.943 2.691 688 HD3 LYS 86 1HD LYS 86 2.508 -18.331 2.182 689 HE2 LYS 86 2HE LYS 86 3.107 -19.104 4.264 690 HE3 LYS 86 1HE LYS 86 2.556 -17.496 4.733 691 HZ1 LYS 86 3HZ LYS 86 0.370 -19.287 4.574 692 HZ2 LYS 86 1HZ LYS 86 0.912 -18.379 5.898 693 HZ3 LYS 86 2HZ LYS 86 1.563 -19.919 5.605 694 H LYS 87 H LYS 87 -1.266 -13.664 5.343 695 HA LYS 87 HA LYS 87 -3.737 -15.064 6.220 696 HB2 LYS 87 2HB LYS 87 -2.058 -12.938 7.573 697 HB3 LYS 87 1HB LYS 87 -3.541 -13.613 8.247 698 HG2 LYS 87 2HG LYS 87 -2.499 -15.898 8.072 699 HG3 LYS 87 1HG LYS 87 -0.988 -15.112 7.607 700 HD2 LYS 87 2HD LYS 87 -1.072 -13.794 9.727 701 HD3 LYS 87 1HD LYS 87 -2.499 -14.716 10.200 702 HE2 LYS 87 2HE LYS 87 -0.456 -16.548 9.361 703 HE3 LYS 87 1HE LYS 87 0.228 -15.440 10.549 704 HZ1 LYS 87 3HZ LYS 87 -0.931 -17.507 11.416 705 HZ2 LYS 87 1HZ LYS 87 -2.386 -16.756 10.972 706 HZ3 LYS 87 2HZ LYS 87 -1.370 -16.025 12.123 707 H GLU 88 H GLU 88 -5.683 -14.202 5.764 708 HA GLU 88 HA GLU 88 -5.864 -11.699 4.280 709 HB2 GLU 88 2HB GLU 88 -8.002 -13.557 5.364 710 HB3 GLU 88 1HB GLU 88 -8.316 -12.175 4.315 711 HG2 GLU 88 2HG GLU 88 -6.821 -13.165 2.595 712 HG3 GLU 88 1HG GLU 88 -6.587 -14.571 3.634 713 H LYS 89 H LYS 89 -6.691 -12.780 7.563 714 HA LYS 89 HA LYS 89 -8.111 -10.457 8.382 715 HB2 LYS 89 2HB LYS 89 -6.359 -12.326 10.005 716 HB3 LYS 89 1HB LYS 89 -7.477 -11.147 10.692 717 HG2 LYS 89 2HG LYS 89 -9.340 -12.250 9.445 718 HG3 LYS 89 1HG LYS 89 -8.201 -13.480 8.896 719 HD2 LYS 89 2HD LYS 89 -7.692 -14.014 11.284 720 HD3 LYS 89 1HD LYS 89 -8.943 -12.870 11.771 721 HE2 LYS 89 2HE LYS 89 -10.320 -14.679 11.682 722 HE3 LYS 89 1HE LYS 89 -10.297 -14.391 9.942 723 HZ1 LYS 89 3HZ LYS 89 -9.148 -16.244 9.604 724 HZ2 LYS 89 1HZ LYS 89 -9.466 -16.661 11.217 725 HZ3 LYS 89 2HZ LYS 89 -8.018 -15.870 10.816 726 H ASP 90 H ASP 90 -4.622 -11.211 8.711 727 HA ASP 90 HA ASP 90 -3.937 -8.716 9.931 728 HB2 ASP 90 2HB ASP 90 -2.291 -10.647 8.272 729 HB3 ASP 90 1HB ASP 90 -1.617 -9.283 9.162 730 H ARG 91 H ARG 91 -4.049 -9.769 6.546 731 HA ARG 91 HA ARG 91 -2.888 -7.457 5.374 732 HB2 ARG 91 2HB ARG 91 -3.405 -9.613 4.192 733 HB3 ARG 91 1HB ARG 91 -5.111 -9.163 4.215 734 HG2 ARG 91 2HG ARG 91 -4.531 -7.065 2.990 735 HG3 ARG 91 1HG ARG 91 -2.864 -7.632 2.881 736 HD2 ARG 91 2HD ARG 91 -5.287 -9.076 1.768 737 HD3 ARG 91 1HD ARG 91 -4.107 -8.172 0.821 738 HE ARG 91 HE ARG 91 -2.504 -9.964 2.092 739 HH11 ARG 91 1HH2 ARG 91 -5.529 -10.239 0.459 740 HH12 ARG 91 2HH2 ARG 91 -5.246 -11.863 -0.070 741 HH21 ARG 91 1HH1 ARG 91 -2.118 -12.084 1.409 742 HH22 ARG 91 2HH1 ARG 91 -3.315 -12.908 0.468 743 H ASN 92 H ASN 92 -6.280 -8.143 6.246 744 HA ASN 92 HA ASN 92 -7.406 -5.788 5.125 745 HB2 ASN 92 2HB ASN 92 -8.246 -7.426 7.532 746 HB3 ASN 92 1HB ASN 92 -9.230 -6.157 6.807 747 HD21 ASN 92 1HD2 ASN 92 -10.209 -8.806 6.835 748 HD22 ASN 92 2HD2 ASN 92 -10.214 -9.414 5.251 749 H ASP 93 H ASP 93 -5.949 -6.366 8.327 750 HA ASP 93 HA ASP 93 -6.641 -3.853 9.466 751 HB2 ASP 93 2HB ASP 93 -4.274 -5.677 9.964 752 HB3 ASP 93 1HB ASP 93 -4.676 -4.288 10.970 753 H LEU 94 H LEU 94 -3.835 -4.850 7.516 754 HA LEU 94 HA LEU 94 -2.363 -2.430 7.765 755 HB2 LEU 94 2HB LEU 94 -1.452 -4.531 6.797 756 HB3 LEU 94 1HB LEU 94 -2.483 -4.303 5.386 757 HG LEU 94 HG LEU 94 -1.383 -2.136 4.930 758 HD11 LEU 94 1HD1 LEU 94 0.899 -1.966 6.299 759 HD12 LEU 94 2HD1 LEU 94 -0.048 -2.820 7.517 760 HD13 LEU 94 3HD1 LEU 94 -0.593 -1.255 6.913 761 HD21 LEU 94 3HD2 LEU 94 0.192 -3.223 3.727 762 HD22 LEU 94 1HD2 LEU 94 -0.346 -4.692 4.541 763 HD23 LEU 94 2HD2 LEU 94 1.020 -3.779 5.182 764 H ILE 95 H ILE 95 -4.827 -3.392 5.371 765 HA ILE 95 HA ILE 95 -4.649 -1.005 3.804 766 HB ILE 95 HB ILE 95 -7.026 -2.821 4.233 767 HG12 ILE 95 2HG1 ILE 95 -4.904 -2.844 2.066 768 HG13 ILE 95 1HG1 ILE 95 -4.952 -3.964 3.429 769 HG21 ILE 95 1HG2 ILE 95 -6.620 -0.397 2.684 770 HG22 ILE 95 2HG2 ILE 95 -8.105 -1.307 2.958 771 HG23 ILE 95 3HG2 ILE 95 -7.024 -1.760 1.641 772 HD11 ILE 95 3HD1 ILE 95 -7.350 -4.513 2.660 773 HD12 ILE 95 1HD1 ILE 95 -6.028 -5.134 1.672 774 HD13 ILE 95 2HD1 ILE 95 -6.918 -3.703 1.155 775 H THR 96 H THR 96 -6.718 -1.878 6.561 776 HA THR 96 HA THR 96 -8.285 0.501 6.567 777 HB THR 96 HB THR 96 -7.484 -1.133 8.988 778 HG1 THR 96 1HG THR 96 -8.695 -2.649 8.215 779 HG21 THR 96 3HG2 THR 96 -9.168 -0.068 10.096 780 HG22 THR 96 1HG2 THR 96 -10.194 0.007 8.665 781 HG23 THR 96 2HG2 THR 96 -8.903 1.187 8.886 782 H TYR 97 H TYR 97 -5.143 -0.229 8.067 783 HA TYR 97 HA TYR 97 -4.939 2.077 9.695 784 HB2 TYR 97 2HB TYR 97 -3.332 0.199 9.777 785 HB3 TYR 97 1HB TYR 97 -2.705 0.675 8.199 786 HD1 TYR 97 2HD TYR 97 -3.109 1.762 11.729 787 HD2 TYR 97 1HD TYR 97 -1.197 2.517 7.958 788 HE1 TYR 97 2HE TYR 97 -1.611 3.411 12.820 789 HE2 TYR 97 1HE TYR 97 0.300 4.168 9.048 790 HH TYR 97 HH TYR 97 0.990 4.331 12.030 791 H LEU 98 H LEU 98 -3.932 1.661 6.273 792 HA LEU 98 HA LEU 98 -2.998 4.362 6.006 793 HB2 LEU 98 2HB LEU 98 -3.957 2.339 3.975 794 HB3 LEU 98 1HB LEU 98 -3.352 3.929 3.515 795 HG LEU 98 HG LEU 98 -1.803 1.925 5.184 796 HD11 LEU 98 1HD1 LEU 98 -2.086 2.331 2.261 797 HD12 LEU 98 2HD1 LEU 98 -1.593 0.893 3.155 798 HD13 LEU 98 3HD1 LEU 98 -0.429 2.184 2.849 799 HD21 LEU 98 3HD2 LEU 98 -0.639 3.813 5.686 800 HD22 LEU 98 1HD2 LEU 98 -1.427 4.742 4.413 801 HD23 LEU 98 2HD2 LEU 98 -0.046 3.718 4.028 802 H LYS 99 H LYS 99 -6.169 2.869 5.492 803 HA LYS 99 HA LYS 99 -7.442 5.118 4.310 804 HB2 LYS 99 2HB LYS 99 -8.545 2.930 6.092 805 HB3 LYS 99 1HB LYS 99 -9.546 4.093 5.226 806 HG2 LYS 99 2HG LYS 99 -8.572 3.342 3.084 807 HG3 LYS 99 1HG LYS 99 -7.580 2.171 3.952 808 HD2 LYS 99 2HD LYS 99 -9.572 1.056 3.079 809 HD3 LYS 99 1HD LYS 99 -9.655 1.115 4.840 810 HE2 LYS 99 2HE LYS 99 -10.828 3.447 3.444 811 HE3 LYS 99 1HE LYS 99 -11.682 1.923 3.212 812 HZ1 LYS 99 3HZ LYS 99 -11.543 1.666 5.699 813 HZ2 LYS 99 1HZ LYS 99 -12.583 2.884 5.138 814 HZ3 LYS 99 2HZ LYS 99 -11.055 3.293 5.760 815 H LYS 100 H LYS 100 -6.816 4.273 7.691 816 HA LYS 100 HA LYS 100 -8.424 6.263 8.924 817 HB2 LYS 100 2HB LYS 100 -7.258 4.410 10.129 818 HB3 LYS 100 1HB LYS 100 -5.725 5.239 9.850 819 HG2 LYS 100 2HG LYS 100 -6.624 7.229 11.055 820 HG3 LYS 100 1HG LYS 100 -8.090 6.314 11.413 821 HD2 LYS 100 2HD LYS 100 -6.652 4.574 12.514 822 HD3 LYS 100 1HD LYS 100 -5.270 5.645 12.292 823 HE2 LYS 100 2HE LYS 100 -5.864 6.423 14.353 824 HE3 LYS 100 1HE LYS 100 -7.046 7.361 13.439 825 HZ1 LYS 100 3HZ LYS 100 -7.856 5.936 15.393 826 HZ2 LYS 100 1HZ LYS 100 -7.665 4.620 14.339 827 HZ3 LYS 100 2HZ LYS 100 -8.733 5.880 13.937 828 H ALA 101 H ALA 101 -5.083 6.396 7.729 829 HA ALA 101 HA ALA 101 -4.537 9.072 8.577 830 HB1 ALA 101 1HB ALA 101 -3.054 7.124 7.402 831 HB2 ALA 101 2HB ALA 101 -2.556 8.815 7.462 832 HB3 ALA 101 3HB ALA 101 -3.338 8.175 6.015 833 H THR 102 H THR 102 -6.110 7.765 5.692 834 HA THR 102 HA THR 102 -6.218 10.283 4.276 835 HB THR 102 HB THR 102 -7.795 9.155 2.800 836 HG1 THR 102 1HG THR 102 -8.614 7.133 3.392 837 HG21 THR 102 3HG2 THR 102 -6.157 6.797 3.362 838 HG22 THR 102 1HG2 THR 102 -5.218 8.291 3.347 839 HG23 THR 102 2HG2 THR 102 -6.176 7.837 1.938 840 H GLU 103 H GLU 103 -8.099 8.847 6.823 841 HA GLU 103 HA GLU 103 -10.428 10.565 6.401 842 HB2 GLU 103 2HB GLU 103 -10.576 8.306 7.476 843 HB3 GLU 103 1HB GLU 103 -9.671 8.943 8.850 844 HG2 GLU 103 2HG GLU 103 -11.431 10.683 9.157 845 HG3 GLU 103 1HG GLU 103 -12.355 9.941 7.852 846 HHA HEC 201 HA HEC 104 4.755 3.315 -5.663 847 HHB HEC 201 HB HEC 104 1.117 0.466 -1.357 848 HHC HEC 201 HC HEC 104 6.240 -0.700 2.176 849 HHD HEC 201 HD HEC 104 9.863 2.147 -2.152 850 HMA1 HEC 201 1HMA HEC 104 -0.112 2.726 -4.176 851 HMA2 HEC 201 2HMA HEC 104 -0.012 2.314 -2.464 852 HMA3 HEC 201 3HMA HEC 104 -0.247 1.045 -3.664 853 HAA1 HEC 201 1HAA HEC 104 2.651 1.873 -6.605 854 HAA2 HEC 201 2HAA HEC 104 1.052 2.391 -6.098 855 HBA1 HEC 201 1HBA HEC 104 3.118 3.957 -7.283 856 HBA2 HEC 201 2HBA HEC 104 2.847 4.563 -5.649 857 HMB1 HEC 201 1HMB HEC 104 1.415 -2.240 1.248 858 HMB2 HEC 201 2HMB HEC 104 0.511 -0.727 1.284 859 HMB3 HEC 201 3HMB HEC 104 0.909 -1.486 -0.252 860 HAB HEC 201 HAB HEC 104 4.500 -1.482 3.284 861 HBB1 HEC 201 1HBB HEC 104 1.492 -1.163 3.252 862 HBB2 HEC 201 2HBB HEC 104 2.441 -1.696 4.630 863 HBB3 HEC 201 3HBB HEC 104 2.385 -2.684 3.177 864 HMC1 HEC 201 1HMC HEC 104 8.503 -0.684 2.957 865 HMC2 HEC 201 2HMC HEC 104 10.061 -0.726 2.132 866 HMC3 HEC 201 3HMC HEC 104 8.780 -1.844 1.658 867 HAC HEC 201 HAC HEC 104 10.891 2.157 -0.208 868 HBC1 HEC 201 1HBC HEC 104 12.498 0.590 -0.397 869 HBC2 HEC 201 2HBC HEC 104 12.117 -0.047 1.202 870 HBC3 HEC 201 3HBC HEC 104 11.248 -0.639 -0.214 871 HMD1 HEC 201 1HMD HEC 104 10.088 2.073 -5.088 872 HMD2 HEC 201 2HMD HEC 104 10.510 3.368 -3.967 873 HMD3 HEC 201 3HMD HEC 104 9.904 3.757 -5.577 874 HAD1 HEC 201 1HAD HEC 104 8.084 5.082 -5.938 875 HAD2 HEC 201 2HAD HEC 104 6.335 4.940 -5.945 876 HBD1 HEC 201 1HBD HEC 104 8.293 3.902 -7.847 877 HBD2 HEC 201 2HBD HEC 104 7.150 2.672 -7.313 Start of MODEL 13 1 H1 THR -5 1HT THR -5 -20.574 -5.116 1.222 2 H2 THR -5 2HT THR -5 -20.854 -6.785 1.076 3 H3 THR -5 3HT THR -5 -19.502 -6.078 0.327 4 HA THR -5 HA THR -5 -19.273 -5.389 2.979 5 HB THR -5 HB THR -5 -20.902 -7.058 3.617 6 HG1 THR -5 1HG THR -5 -18.605 -8.553 4.003 7 HG21 THR -5 1HG2 THR -5 -21.169 -8.500 1.812 8 HG22 THR -5 2HG2 THR -5 -20.253 -9.515 2.926 9 HG23 THR -5 3HG2 THR -5 -19.431 -8.708 1.591 10 H GLU -4 H GLU -4 -17.790 -5.308 0.595 11 HA GLU -4 HA GLU -4 -15.918 -7.439 0.287 12 HB2 GLU -4 2HB GLU -4 -15.606 -4.472 -0.265 13 HB3 GLU -4 1HB GLU -4 -14.488 -5.718 -0.822 14 HG2 GLU -4 2HG GLU -4 -16.356 -6.826 -2.031 15 HG3 GLU -4 1HG GLU -4 -17.433 -5.523 -1.523 16 H PHE -3 H PHE -3 -16.009 -4.674 2.478 17 HA PHE -3 HA PHE -3 -13.371 -5.493 3.596 18 HB2 PHE -3 2HB PHE -3 -13.718 -3.085 3.032 19 HB3 PHE -3 1HB PHE -3 -15.033 -3.031 4.205 20 HD1 PHE -3 1HD PHE -3 -14.584 -3.323 6.623 21 HD2 PHE -3 2HD PHE -3 -11.404 -3.178 3.737 22 HE1 PHE -3 1HE PHE -3 -12.944 -2.944 8.447 23 HE2 PHE -3 2HE PHE -3 -9.767 -2.797 5.562 24 HZ PHE -3 HZ PHE -3 -10.540 -2.683 7.915 25 H LYS -2 H LYS -2 -13.283 -6.524 5.547 26 HA LYS -2 HA LYS -2 -15.845 -6.837 7.041 27 HB2 LYS -2 2HB LYS -2 -14.816 -8.813 8.043 28 HB3 LYS -2 1HB LYS -2 -14.683 -8.913 6.287 29 HG2 LYS -2 2HG LYS -2 -12.378 -7.944 6.461 30 HG3 LYS -2 1HG LYS -2 -12.517 -8.037 8.217 31 HD2 LYS -2 2HD LYS -2 -12.764 -10.388 6.322 32 HD3 LYS -2 1HD LYS -2 -11.343 -10.012 7.297 33 HE2 LYS -2 2HE LYS -2 -13.228 -9.969 9.226 34 HE3 LYS -2 1HE LYS -2 -13.964 -11.136 8.128 35 HZ1 LYS -2 3HZ LYS -2 -11.118 -11.373 8.850 36 HZ2 LYS -2 1HZ LYS -2 -12.193 -12.577 8.328 37 HZ3 LYS -2 2HZ LYS -2 -12.313 -11.957 9.906 38 H ALA -1 H ALA -1 -15.652 -6.807 9.446 39 HA ALA -1 HA ALA -1 -14.427 -4.444 10.405 40 HB1 ALA -1 1HB ALA -1 -16.104 -6.404 11.462 41 HB2 ALA -1 2HB ALA -1 -15.521 -4.972 12.309 42 HB3 ALA -1 3HB ALA -1 -14.656 -6.500 12.464 43 H GLY 1 H GLY 1 -12.329 -3.991 10.860 44 HA2 GLY 1 2HA GLY 1 -10.525 -6.231 11.627 45 HA3 GLY 1 1HA GLY 1 -10.044 -5.161 10.312 46 H SER 2 H SER 2 -8.464 -5.367 12.615 47 HA SER 2 HA SER 2 -9.030 -2.802 14.052 48 HB2 SER 2 2HB SER 2 -8.862 -4.848 15.477 49 HB3 SER 2 1HB SER 2 -7.220 -5.089 14.888 50 HG SER 2 HG SER 2 -7.467 -3.899 16.924 51 H ALA 3 H ALA 3 -7.622 -1.140 13.733 52 HA ALA 3 HA ALA 3 -5.489 -1.422 11.784 53 HB1 ALA 3 1HB ALA 3 -6.043 0.917 13.630 54 HB2 ALA 3 2HB ALA 3 -6.870 0.656 12.094 55 HB3 ALA 3 3HB ALA 3 -5.132 0.950 12.119 56 H LYS 4 H LYS 4 -5.674 -1.759 15.213 57 HA LYS 4 HA LYS 4 -3.083 -0.944 15.997 58 HB2 LYS 4 2HB LYS 4 -4.911 -1.654 17.554 59 HB3 LYS 4 1HB LYS 4 -4.634 -3.324 17.063 60 HG2 LYS 4 2HG LYS 4 -3.356 -3.129 19.028 61 HG3 LYS 4 1HG LYS 4 -2.163 -2.884 17.755 62 HD2 LYS 4 2HD LYS 4 -2.244 -0.487 18.039 63 HD3 LYS 4 1HD LYS 4 -3.620 -0.614 19.135 64 HE2 LYS 4 2HE LYS 4 -2.270 -0.990 20.897 65 HE3 LYS 4 1HE LYS 4 -1.413 -2.271 20.039 66 HZ1 LYS 4 3HZ LYS 4 0.273 -0.809 20.154 67 HZ2 LYS 4 1HZ LYS 4 -0.743 0.538 20.326 68 HZ3 LYS 4 2HZ LYS 4 -0.471 -0.128 18.786 69 H LYS 5 H LYS 5 -4.155 -4.170 14.851 70 HA LYS 5 HA LYS 5 -1.522 -5.325 14.969 71 HB2 LYS 5 2HB LYS 5 -3.939 -6.086 13.302 72 HB3 LYS 5 1HB LYS 5 -2.491 -7.078 13.479 73 HG2 LYS 5 2HG LYS 5 -2.852 -7.093 15.950 74 HG3 LYS 5 1HG LYS 5 -4.359 -6.210 15.704 75 HD2 LYS 5 2HD LYS 5 -5.155 -8.066 14.230 76 HD3 LYS 5 1HD LYS 5 -3.687 -8.963 14.625 77 HE2 LYS 5 2HE LYS 5 -5.434 -9.735 16.105 78 HE3 LYS 5 1HE LYS 5 -4.315 -8.763 17.060 79 HZ1 LYS 5 3HZ LYS 5 -6.994 -8.028 16.055 80 HZ2 LYS 5 1HZ LYS 5 -5.871 -6.842 16.517 81 HZ3 LYS 5 2HZ LYS 5 -6.411 -7.987 17.650 82 H GLY 6 H GLY 6 -3.414 -4.068 12.209 83 HA2 GLY 6 2HA GLY 6 -1.303 -4.362 10.294 84 HA3 GLY 6 1HA GLY 6 -2.711 -3.316 10.105 85 H ALA 7 H ALA 7 -2.097 -1.806 12.582 86 HA ALA 7 HA ALA 7 -0.586 0.305 11.453 87 HB1 ALA 7 1HB ALA 7 -2.027 0.770 13.320 88 HB2 ALA 7 2HB ALA 7 -0.380 1.106 13.851 89 HB3 ALA 7 3HB ALA 7 -1.176 -0.390 14.339 90 H THR 8 H THR 8 0.449 -2.244 13.729 91 HA THR 8 HA THR 8 3.183 -1.291 13.809 92 HB THR 8 HB THR 8 3.642 -3.371 14.996 93 HG1 THR 8 1HG THR 8 1.077 -4.097 14.047 94 HG21 THR 8 3HG2 THR 8 2.163 -1.454 15.988 95 HG22 THR 8 1HG2 THR 8 2.290 -2.982 16.861 96 HG23 THR 8 2HG2 THR 8 0.866 -2.644 15.877 97 H LEU 9 H LEU 9 1.442 -3.739 11.900 98 HA LEU 9 HA LEU 9 3.712 -4.928 10.657 99 HB2 LEU 9 2HB LEU 9 1.332 -5.748 10.456 100 HB3 LEU 9 1HB LEU 9 1.021 -4.405 9.356 101 HG LEU 9 HG LEU 9 3.178 -5.356 8.129 102 HD11 LEU 9 1HD1 LEU 9 3.382 -7.099 10.019 103 HD12 LEU 9 2HD1 LEU 9 3.509 -7.690 8.362 104 HD13 LEU 9 3HD1 LEU 9 2.005 -7.895 9.260 105 HD21 LEU 9 3HD2 LEU 9 1.699 -6.627 6.665 106 HD22 LEU 9 1HD2 LEU 9 0.864 -5.171 7.204 107 HD23 LEU 9 2HD2 LEU 9 0.481 -6.729 7.935 108 H PHE 10 H PHE 10 1.809 -2.059 9.851 109 HA PHE 10 HA PHE 10 3.168 -1.380 7.426 110 HB2 PHE 10 2HB PHE 10 1.001 -0.381 8.255 111 HB3 PHE 10 1HB PHE 10 1.931 0.511 9.455 112 HD1 PHE 10 1HD PHE 10 1.409 0.028 5.806 113 HD2 PHE 10 2HD PHE 10 3.168 2.464 8.874 114 HE1 PHE 10 1HE PHE 10 1.902 1.785 4.128 115 HE2 PHE 10 2HE PHE 10 3.654 4.219 7.194 116 HZ PHE 10 HZ PHE 10 3.033 3.878 4.827 117 H LYS 11 H LYS 11 3.658 -0.404 10.802 118 HA LYS 11 HA LYS 11 5.922 1.283 10.367 119 HB2 LYS 11 2HB LYS 11 4.494 1.097 12.477 120 HB3 LYS 11 1HB LYS 11 5.385 -0.379 12.838 121 HG2 LYS 11 2HG LYS 11 7.514 0.889 12.740 122 HG3 LYS 11 1HG LYS 11 6.603 2.370 12.447 123 HD2 LYS 11 2HD LYS 11 5.385 1.980 14.606 124 HD3 LYS 11 1HD LYS 11 6.458 0.614 14.913 125 HE2 LYS 11 2HE LYS 11 8.407 2.207 14.653 126 HE3 LYS 11 1HE LYS 11 7.236 3.527 14.624 127 HZ1 LYS 11 3HZ LYS 11 6.706 1.781 16.787 128 HZ2 LYS 11 1HZ LYS 11 7.063 3.440 16.817 129 HZ3 LYS 11 2HZ LYS 11 8.323 2.301 16.849 130 H THR 12 H THR 12 5.628 -2.186 11.002 131 HA THR 12 HA THR 12 8.437 -2.664 11.349 132 HB THR 12 HB THR 12 7.864 -5.020 11.153 133 HG1 THR 12 1HG THR 12 5.692 -5.534 10.545 134 HG21 THR 12 3HG2 THR 12 5.470 -4.585 12.539 135 HG22 THR 12 1HG2 THR 12 6.422 -3.127 12.819 136 HG23 THR 12 2HG2 THR 12 7.084 -4.706 13.241 137 H ARG 13 H ARG 13 6.371 -2.701 8.435 138 HA ARG 13 HA ARG 13 8.863 -2.747 6.843 139 HB2 ARG 13 2HB ARG 13 6.681 -4.829 6.583 140 HB3 ARG 13 1HB ARG 13 7.953 -4.583 5.388 141 HG2 ARG 13 2HG ARG 13 9.647 -4.972 7.202 142 HG3 ARG 13 1HG ARG 13 8.320 -5.381 8.288 143 HD2 ARG 13 2HD ARG 13 9.165 -7.449 7.388 144 HD3 ARG 13 1HD ARG 13 7.608 -7.137 6.618 145 HE ARG 13 HE ARG 13 9.320 -6.009 4.830 146 HH11 ARG 13 1HH2 ARG 13 9.325 -8.998 6.549 147 HH12 ARG 13 2HH2 ARG 13 10.170 -9.864 5.310 148 HH21 ARG 13 1HH1 ARG 13 10.424 -7.123 3.201 149 HH22 ARG 13 2HH1 ARG 13 10.792 -8.802 3.414 150 H CYS 14 H CYS 14 7.463 -0.484 6.888 151 HA CYS 14 HA CYS 14 6.601 -0.171 4.170 152 HB2 CYS 14 2HB CYS 14 4.613 -1.361 5.392 153 HB3 CYS 14 1HB CYS 14 4.321 0.237 6.074 154 H LEU 15 H LEU 15 6.094 1.171 7.442 155 HA LEU 15 HA LEU 15 5.832 3.881 6.675 156 HB2 LEU 15 2HB LEU 15 5.420 3.035 8.977 157 HB3 LEU 15 1HB LEU 15 7.153 2.796 9.179 158 HG LEU 15 HG LEU 15 7.390 5.303 8.604 159 HD11 LEU 15 1HD1 LEU 15 5.210 5.791 7.726 160 HD12 LEU 15 2HD1 LEU 15 5.311 6.598 9.289 161 HD13 LEU 15 3HD1 LEU 15 4.418 5.087 9.137 162 HD21 LEU 15 3HD2 LEU 15 7.037 5.923 10.914 163 HD22 LEU 15 1HD2 LEU 15 7.617 4.257 10.880 164 HD23 LEU 15 2HD2 LEU 15 5.905 4.590 11.143 165 H GLN 16 H GLN 16 8.738 1.929 7.202 166 HA GLN 16 HA GLN 16 10.658 4.009 7.132 167 HB2 GLN 16 2HB GLN 16 10.846 1.178 6.058 168 HB3 GLN 16 1HB GLN 16 12.225 2.252 6.296 169 HG2 GLN 16 2HG GLN 16 11.713 2.406 8.694 170 HG3 GLN 16 1HG GLN 16 10.306 1.367 8.471 171 HE21 GLN 16 1HE2 GLN 16 12.421 0.587 10.224 172 HE22 GLN 16 2HE2 GLN 16 13.215 -0.755 9.552 173 H CYS 17 H CYS 17 8.929 2.386 4.509 174 HA CYS 17 HA CYS 17 10.461 3.952 2.512 175 HB2 CYS 17 2HB CYS 17 8.390 1.767 2.225 176 HB3 CYS 17 1HB CYS 17 9.136 2.604 0.864 177 H HIS 18 H HIS 18 7.079 3.483 3.570 178 HA HIS 18 HA HIS 18 6.339 5.889 1.964 179 HB2 HIS 18 2HB HIS 18 4.712 3.615 3.129 180 HB3 HIS 18 1HB HIS 18 3.973 5.065 2.444 181 HD1 HIS 18 1HD HIS 18 4.721 5.563 -0.165 182 HD2 HIS 18 2HD HIS 18 5.362 1.710 1.275 183 HE1 HIS 18 1HE HIS 18 4.999 4.073 -2.204 184 H THR 19 H THR 19 6.010 7.767 3.037 185 HA THR 19 HA THR 19 5.967 7.777 5.976 186 HB THR 19 HB THR 19 6.089 10.201 5.764 187 HG1 THR 19 1HG THR 19 5.189 9.585 3.212 188 HG21 THR 19 3HG2 THR 19 8.195 9.058 5.451 189 HG22 THR 19 1HG2 THR 19 8.116 10.374 4.279 190 HG23 THR 19 2HG2 THR 19 7.811 8.715 3.765 191 H VAL 20 H VAL 20 3.706 8.119 3.328 192 HA VAL 20 HA VAL 20 1.362 8.259 3.345 193 HB VAL 20 HB VAL 20 1.341 7.905 6.324 194 HG11 VAL 20 1HG1 VAL 20 -0.680 6.767 5.905 195 HG12 VAL 20 2HG1 VAL 20 -0.255 6.442 4.225 196 HG13 VAL 20 3HG1 VAL 20 -0.700 8.074 4.722 197 HG21 VAL 20 3HG2 VAL 20 2.454 6.028 4.283 198 HG22 VAL 20 1HG2 VAL 20 1.443 5.345 5.556 199 HG23 VAL 20 2HG2 VAL 20 2.905 6.241 5.974 200 H GLU 21 H GLU 21 3.367 10.346 5.097 201 HA GLU 21 HA GLU 21 1.139 12.095 5.963 202 HB2 GLU 21 2HB GLU 21 4.147 12.410 6.222 203 HB3 GLU 21 1HB GLU 21 2.951 13.511 6.907 204 HG2 GLU 21 2HG GLU 21 3.157 10.555 7.553 205 HG3 GLU 21 1HG GLU 21 3.755 11.859 8.580 206 H LYS 22 H LYS 22 0.339 13.583 4.576 207 HA LYS 22 HA LYS 22 1.587 14.133 2.029 208 HB2 LYS 22 2HB LYS 22 -0.245 15.669 1.669 209 HB3 LYS 22 1HB LYS 22 -0.890 14.247 2.487 210 HG2 LYS 22 2HG LYS 22 -0.648 15.463 4.669 211 HG3 LYS 22 1HG LYS 22 -0.183 16.904 3.764 212 HD2 LYS 22 2HD LYS 22 -2.366 16.643 2.473 213 HD3 LYS 22 1HD LYS 22 -2.830 15.446 3.684 214 HE2 LYS 22 2HE LYS 22 -2.519 17.122 5.467 215 HE3 LYS 22 1HE LYS 22 -2.055 18.322 4.260 216 HZ1 LYS 22 3HZ LYS 22 -4.689 17.061 4.691 217 HZ2 LYS 22 1HZ LYS 22 -4.292 17.757 3.196 218 HZ3 LYS 22 2HZ LYS 22 -4.300 18.712 4.600 219 H GLY 23 H GLY 23 1.370 15.904 5.102 220 HA2 GLY 23 2HA GLY 23 2.558 18.335 4.231 221 HA3 GLY 23 1HA GLY 23 2.617 17.730 5.887 222 H GLY 24 H GLY 24 4.000 15.279 5.273 223 HA2 GLY 24 2HA GLY 24 6.718 16.307 5.241 224 HA3 GLY 24 1HA GLY 24 6.260 14.605 5.336 225 HA PRO 25 HA PRO 25 7.556 15.924 0.918 226 HB2 PRO 25 2HB PRO 25 10.194 15.246 0.924 227 HB3 PRO 25 1HB PRO 25 9.620 16.859 1.391 228 HG2 PRO 25 2HG PRO 25 10.430 14.567 3.116 229 HG3 PRO 25 1HG PRO 25 10.779 16.293 3.296 230 HD2 PRO 25 2HD PRO 25 8.813 15.027 4.714 231 HD3 PRO 25 1HD PRO 25 8.732 16.748 4.276 232 H HIS 26 H HIS 26 9.455 14.151 -0.282 233 HA HIS 26 HA HIS 26 8.003 11.565 0.051 234 HB2 HIS 26 2HB HIS 26 9.624 12.681 -2.255 235 HB3 HIS 26 1HB HIS 26 8.966 11.044 -2.216 236 HD1 HIS 26 1HD HIS 26 6.309 10.848 -2.094 237 HD2 HIS 26 2HD HIS 26 7.767 14.663 -2.938 238 HE1 HIS 26 1HE HIS 26 4.352 12.182 -2.992 239 HE2 HIS 26 2HE HIS 26 5.226 14.507 -3.506 240 H LYS 27 H LYS 27 9.119 9.775 0.718 241 HA LYS 27 HA LYS 27 12.103 9.956 0.832 242 HB2 LYS 27 2HB LYS 27 11.073 10.358 3.082 243 HB3 LYS 27 1HB LYS 27 10.320 8.766 2.979 244 HG2 LYS 27 2HG LYS 27 12.570 7.741 2.736 245 HG3 LYS 27 1HG LYS 27 13.298 9.338 2.920 246 HD2 LYS 27 2HD LYS 27 12.154 9.538 5.145 247 HD3 LYS 27 1HD LYS 27 11.617 7.867 4.967 248 HE2 LYS 27 2HE LYS 27 14.257 7.558 4.453 249 HE3 LYS 27 1HE LYS 27 14.322 8.928 5.561 250 HZ1 LYS 27 3HZ LYS 27 12.580 6.704 6.287 251 HZ2 LYS 27 1HZ LYS 27 13.529 7.705 7.274 252 HZ3 LYS 27 2HZ LYS 27 14.255 6.440 6.402 253 H VAL 28 H VAL 28 13.037 8.225 -0.153 254 HA VAL 28 HA VAL 28 13.211 6.151 -1.240 255 HB VAL 28 HB VAL 28 11.479 5.460 1.143 256 HG11 VAL 28 1HG1 VAL 28 10.969 3.698 -0.312 257 HG12 VAL 28 2HG1 VAL 28 12.391 3.079 0.530 258 HG13 VAL 28 3HG1 VAL 28 12.550 3.755 -1.092 259 HG21 VAL 28 3HG2 VAL 28 14.351 4.702 0.597 260 HG22 VAL 28 1HG2 VAL 28 13.501 4.731 2.142 261 HG23 VAL 28 2HG2 VAL 28 13.935 6.244 1.346 262 H GLY 29 H GLY 29 9.929 5.548 -0.062 263 HA2 GLY 29 2HA GLY 29 9.051 5.367 -2.901 264 HA3 GLY 29 1HA GLY 29 8.226 4.622 -1.530 265 HA PRO 30 HA PRO 30 6.506 8.947 -2.778 266 HB2 PRO 30 2HB PRO 30 4.107 7.981 -3.786 267 HB3 PRO 30 1HB PRO 30 5.516 8.422 -4.770 268 HG2 PRO 30 2HG PRO 30 4.592 5.742 -3.882 269 HG3 PRO 30 1HG PRO 30 5.333 6.236 -5.414 270 HD2 PRO 30 2HD PRO 30 6.735 4.931 -3.485 271 HD3 PRO 30 1HD PRO 30 7.492 6.125 -4.565 272 H ASN 31 H ASN 31 4.814 9.990 -1.565 273 HA ASN 31 HA ASN 31 4.040 8.551 0.866 274 HB2 ASN 31 2HB ASN 31 3.213 11.327 -0.023 275 HB3 ASN 31 1HB ASN 31 3.169 10.680 1.616 276 HD21 ASN 31 1HD2 ASN 31 5.731 9.390 1.675 277 HD22 ASN 31 2HD2 ASN 31 6.930 10.584 1.576 278 H LEU 32 H LEU 32 1.949 7.838 1.366 279 HA LEU 32 HA LEU 32 0.038 7.815 -0.912 280 HB2 LEU 32 2HB LEU 32 0.111 6.216 1.665 281 HB3 LEU 32 1HB LEU 32 -1.155 6.082 0.449 282 HG LEU 32 HG LEU 32 0.678 5.579 -1.244 283 HD11 LEU 32 1HD1 LEU 32 2.286 6.003 1.162 284 HD12 LEU 32 2HD1 LEU 32 2.792 5.919 -0.524 285 HD13 LEU 32 3HD1 LEU 32 2.603 4.440 0.416 286 HD21 LEU 32 3HD2 LEU 32 1.086 3.260 0.230 287 HD22 LEU 32 1HD2 LEU 32 -0.277 3.569 -0.845 288 HD23 LEU 32 2HD2 LEU 32 -0.423 3.897 0.882 289 H HIS 33 H HIS 33 -1.974 8.773 -0.773 290 HA HIS 33 HA HIS 33 -3.208 9.579 1.697 291 HB2 HIS 33 2HB HIS 33 -1.362 11.260 1.612 292 HB3 HIS 33 1HB HIS 33 -1.974 11.811 0.052 293 HD1 HIS 33 1HD HIS 33 -3.412 11.237 3.552 294 HD2 HIS 33 2HD HIS 33 -3.759 13.890 0.351 295 HE1 HIS 33 1HE HIS 33 -5.065 13.020 4.273 296 HE2 HIS 33 2HE HIS 33 -5.283 14.638 2.332 297 H GLY 34 H GLY 34 -5.079 8.717 0.758 298 HA2 GLY 34 2HA GLY 34 -7.161 9.139 -0.335 299 HA3 GLY 34 1HA GLY 34 -6.394 10.448 -1.236 300 H ILE 35 H ILE 35 -4.410 7.754 -1.279 301 HA ILE 35 HA ILE 35 -4.603 7.355 -4.080 302 HB ILE 35 HB ILE 35 -2.718 6.634 -2.503 303 HG12 ILE 35 2HG1 ILE 35 -3.682 4.462 -4.381 304 HG13 ILE 35 1HG1 ILE 35 -3.004 5.984 -4.960 305 HG21 ILE 35 1HG2 ILE 35 -4.348 5.386 -0.989 306 HG22 ILE 35 2HG2 ILE 35 -2.887 4.501 -1.429 307 HG23 ILE 35 3HG2 ILE 35 -4.413 4.141 -2.236 308 HD11 ILE 35 3HD1 ILE 35 -1.620 3.977 -3.159 309 HD12 ILE 35 1HD1 ILE 35 -0.947 5.538 -3.627 310 HD13 ILE 35 2HD1 ILE 35 -1.237 4.301 -4.850 311 H PHE 36 H PHE 36 -6.522 6.086 -1.467 312 HA PHE 36 HA PHE 36 -7.567 3.794 -2.875 313 HB2 PHE 36 2HB PHE 36 -8.653 5.415 -0.555 314 HB3 PHE 36 1HB PHE 36 -9.364 3.908 -1.124 315 HD1 PHE 36 1HD PHE 36 -6.471 5.445 0.559 316 HD2 PHE 36 2HD PHE 36 -8.220 1.771 -0.824 317 HE1 PHE 36 1HE PHE 36 -4.838 4.155 1.909 318 HE2 PHE 36 2HE PHE 36 -6.585 0.485 0.525 319 HZ PHE 36 HZ PHE 36 -4.894 1.677 1.890 320 H GLY 37 H GLY 37 -9.179 3.722 -4.382 321 HA2 GLY 37 2HA GLY 37 -11.025 4.418 -5.674 322 HA3 GLY 37 1HA GLY 37 -11.245 5.761 -4.552 323 H ARG 38 H ARG 38 -8.086 5.361 -5.909 324 HA ARG 38 HA ARG 38 -8.669 7.366 -8.018 325 HB2 ARG 38 2HB ARG 38 -6.548 7.686 -5.876 326 HB3 ARG 38 1HB ARG 38 -6.701 8.717 -7.300 327 HG2 ARG 38 2HG ARG 38 -9.068 9.218 -6.578 328 HG3 ARG 38 1HG ARG 38 -8.726 8.363 -5.075 329 HD2 ARG 38 2HD ARG 38 -8.325 10.677 -4.622 330 HD3 ARG 38 1HD ARG 38 -6.736 9.931 -4.787 331 HE ARG 38 HE ARG 38 -7.153 10.787 -7.322 332 HH11 ARG 38 1HH2 ARG 38 -7.677 12.263 -4.247 333 HH12 ARG 38 2HH2 ARG 38 -7.418 13.873 -4.830 334 HH21 ARG 38 1HH1 ARG 38 -6.812 12.882 -8.096 335 HH22 ARG 38 2HH1 ARG 38 -6.928 14.223 -7.007 336 H HIS 39 H HIS 39 -6.701 7.657 -9.470 337 HA HIS 39 HA HIS 39 -5.534 4.986 -9.970 338 HB2 HIS 39 2HB HIS 39 -5.576 7.525 -11.626 339 HB3 HIS 39 1HB HIS 39 -4.814 6.019 -12.138 340 HD1 HIS 39 1HD HIS 39 -8.173 7.586 -11.527 341 HD2 HIS 39 2HD HIS 39 -6.633 3.942 -12.850 342 HE1 HIS 39 1HE HIS 39 -10.127 6.287 -12.485 343 HE2 HIS 39 2HE HIS 39 -9.201 4.068 -13.293 344 H SER 40 H SER 40 -3.225 4.770 -10.401 345 HA SER 40 HA SER 40 -1.585 6.105 -8.460 346 HB2 SER 40 2HB SER 40 0.190 4.782 -9.285 347 HB3 SER 40 1HB SER 40 -1.239 3.797 -9.581 348 HG SER 40 HG SER 40 -0.600 3.836 -11.579 349 H GLY 41 H GLY 41 0.458 7.313 -9.102 350 HA2 GLY 41 2HA GLY 41 1.608 8.810 -10.620 351 HA3 GLY 41 1HA GLY 41 0.128 8.926 -11.571 352 H GLN 42 H GLN 42 -1.066 9.118 -8.603 353 HA GLN 42 HA GLN 42 -1.601 11.916 -8.700 354 HB2 GLN 42 2HB GLN 42 -2.941 10.178 -7.447 355 HB3 GLN 42 1HB GLN 42 -1.667 10.167 -6.227 356 HG2 GLN 42 2HG GLN 42 -1.981 12.638 -5.954 357 HG3 GLN 42 1HG GLN 42 -3.356 12.543 -7.057 358 HE21 GLN 42 1HE2 GLN 42 -5.344 11.708 -6.239 359 HE22 GLN 42 2HE2 GLN 42 -5.551 11.223 -4.626 360 H ALA 43 H ALA 43 0.871 10.055 -6.952 361 HA ALA 43 HA ALA 43 1.853 12.311 -5.439 362 HB1 ALA 43 1HB ALA 43 2.260 9.737 -5.109 363 HB2 ALA 43 2HB ALA 43 3.527 10.883 -4.681 364 HB3 ALA 43 3HB ALA 43 3.614 10.006 -6.207 365 H GLU 44 H GLU 44 1.841 13.819 -7.327 366 HA GLU 44 HA GLU 44 3.664 13.549 -9.513 367 HB2 GLU 44 2HB GLU 44 2.539 16.033 -8.182 368 HB3 GLU 44 1HB GLU 44 3.405 16.029 -9.717 369 HG2 GLU 44 2HG GLU 44 0.867 14.469 -9.155 370 HG3 GLU 44 1HG GLU 44 0.942 15.991 -10.044 371 H GLY 45 H GLY 45 4.047 14.707 -6.214 372 HA2 GLY 45 2HA GLY 45 6.503 16.078 -6.442 373 HA3 GLY 45 1HA GLY 45 5.990 15.205 -4.997 374 H TYR 46 H TYR 46 5.860 12.593 -6.279 375 HA TYR 46 HA TYR 46 8.796 12.122 -6.629 376 HB2 TYR 46 2HB TYR 46 7.665 11.090 -4.607 377 HB3 TYR 46 1HB TYR 46 6.718 10.111 -5.728 378 HD1 TYR 46 1HD TYR 46 10.160 10.879 -4.568 379 HD2 TYR 46 2HD TYR 46 7.682 8.225 -6.866 380 HE1 TYR 46 1HE TYR 46 12.046 9.283 -4.759 381 HE2 TYR 46 2HE TYR 46 9.576 6.626 -7.057 382 HH TYR 46 HH TYR 46 12.706 7.295 -5.484 383 H SER 47 H SER 47 9.448 11.221 -8.534 384 HA SER 47 HA SER 47 7.594 10.925 -10.712 385 HB2 SER 47 2HB SER 47 10.442 9.916 -10.468 386 HB3 SER 47 1HB SER 47 9.532 10.071 -11.966 387 HG SER 47 HG SER 47 10.970 11.909 -10.734 388 H TYR 48 H TYR 48 7.113 8.938 -11.877 389 HA TYR 48 HA TYR 48 7.042 6.551 -10.075 390 HB2 TYR 48 2HB TYR 48 5.174 7.522 -12.239 391 HB3 TYR 48 1HB TYR 48 5.157 5.845 -11.696 392 HD1 TYR 48 2HD TYR 48 4.588 9.359 -10.680 393 HD2 TYR 48 1HD TYR 48 4.354 5.234 -9.505 394 HE1 TYR 48 2HE TYR 48 3.210 9.994 -8.719 395 HE2 TYR 48 1HE TYR 48 2.976 5.868 -7.545 396 HH TYR 48 HH TYR 48 1.720 7.556 -6.655 397 H THR 49 H THR 49 7.701 4.548 -10.922 398 HA THR 49 HA THR 49 9.606 4.680 -13.118 399 HB THR 49 HB THR 49 10.069 2.380 -12.619 400 HG1 THR 49 1HG THR 49 7.621 2.051 -12.438 401 HG21 THR 49 3HG2 THR 49 10.351 4.307 -10.778 402 HG22 THR 49 1HG2 THR 49 10.803 2.634 -10.455 403 HG23 THR 49 2HG2 THR 49 9.251 3.254 -9.890 404 H ASP 50 H ASP 50 9.446 3.226 -15.028 405 HA ASP 50 HA ASP 50 7.071 3.620 -16.505 406 HB2 ASP 50 2HB ASP 50 9.251 1.555 -16.832 407 HB3 ASP 50 1HB ASP 50 7.985 1.836 -18.025 408 H ALA 51 H ALA 51 8.046 0.935 -14.430 409 HA ALA 51 HA ALA 51 6.220 -1.041 -15.135 410 HB1 ALA 51 1HB ALA 51 6.443 -0.528 -12.222 411 HB2 ALA 51 2HB ALA 51 7.963 -0.740 -13.087 412 HB3 ALA 51 3HB ALA 51 6.739 -2.010 -13.131 413 H ASN 52 H ASN 52 5.498 1.091 -12.346 414 HA ASN 52 HA ASN 52 2.742 0.569 -12.285 415 HB2 ASN 52 2HB ASN 52 3.983 1.808 -10.522 416 HB3 ASN 52 1HB ASN 52 4.072 3.203 -11.598 417 HD21 ASN 52 1HD2 ASN 52 1.592 0.978 -10.190 418 HD22 ASN 52 2HD2 ASN 52 0.399 2.177 -10.038 419 H ILE 53 H ILE 53 4.446 3.087 -14.169 420 HA ILE 53 HA ILE 53 2.134 4.381 -15.177 421 HB ILE 53 HB ILE 53 4.812 3.931 -16.526 422 HG12 ILE 53 2HG1 ILE 53 3.797 6.281 -14.895 423 HG13 ILE 53 1HG1 ILE 53 4.889 5.041 -14.275 424 HG21 ILE 53 1HG2 ILE 53 3.172 4.638 -18.146 425 HG22 ILE 53 2HG2 ILE 53 4.167 6.035 -17.741 426 HG23 ILE 53 3HG2 ILE 53 2.554 5.871 -17.050 427 HD11 ILE 53 3HD1 ILE 53 5.876 6.034 -16.799 428 HD12 ILE 53 1HD1 ILE 53 6.658 6.064 -15.218 429 HD13 ILE 53 2HD1 ILE 53 5.590 7.383 -15.699 430 H LYS 54 H LYS 54 4.092 1.809 -16.723 431 HA LYS 54 HA LYS 54 2.247 1.363 -18.870 432 HB2 LYS 54 2HB LYS 54 4.303 -0.490 -17.624 433 HB3 LYS 54 1HB LYS 54 3.460 -0.806 -19.141 434 HG2 LYS 54 2HG LYS 54 4.362 1.344 -20.041 435 HG3 LYS 54 1HG LYS 54 5.289 1.539 -18.554 436 HD2 LYS 54 2HD LYS 54 6.396 -0.652 -19.000 437 HD3 LYS 54 1HD LYS 54 5.532 -0.744 -20.536 438 HE2 LYS 54 2HE LYS 54 6.971 1.796 -20.078 439 HE3 LYS 54 1HE LYS 54 8.006 0.379 -20.242 440 HZ1 LYS 54 3HZ LYS 54 5.944 0.293 -22.166 441 HZ2 LYS 54 1HZ LYS 54 7.622 0.343 -22.407 442 HZ3 LYS 54 2HZ LYS 54 6.743 1.790 -22.264 443 H LYS 55 H LYS 55 2.551 -0.023 -15.626 444 HA LYS 55 HA LYS 55 0.148 -1.707 -16.145 445 HB2 LYS 55 2HB LYS 55 2.342 -2.598 -15.030 446 HB3 LYS 55 1HB LYS 55 1.761 -1.742 -13.607 447 HG2 LYS 55 2HG LYS 55 -0.383 -2.982 -13.743 448 HG3 LYS 55 1HG LYS 55 0.241 -3.874 -15.130 449 HD2 LYS 55 2HD LYS 55 2.149 -4.650 -13.679 450 HD3 LYS 55 1HD LYS 55 1.334 -3.902 -12.304 451 HE2 LYS 55 2HE LYS 55 -0.126 -5.862 -14.065 452 HE3 LYS 55 1HE LYS 55 0.911 -6.429 -12.757 453 HZ1 LYS 55 3HZ LYS 55 -0.364 -4.904 -11.270 454 HZ2 LYS 55 1HZ LYS 55 -1.260 -6.208 -11.882 455 HZ3 LYS 55 2HZ LYS 55 -1.457 -4.656 -12.547 456 H ASN 56 H ASN 56 -0.034 1.229 -15.794 457 HA ASN 56 HA ASN 56 -0.680 2.093 -13.231 458 HB2 ASN 56 2HB ASN 56 -0.892 3.342 -15.523 459 HB3 ASN 56 1HB ASN 56 -2.555 2.753 -15.490 460 HD21 ASN 56 1HD2 ASN 56 -1.904 2.948 -12.308 461 HD22 ASN 56 2HD2 ASN 56 -2.341 4.555 -11.982 462 H VAL 57 H VAL 57 -2.215 1.552 -11.756 463 HA VAL 57 HA VAL 57 -4.535 -0.089 -12.673 464 HB VAL 57 HB VAL 57 -2.782 -1.554 -11.702 465 HG11 VAL 57 1HG1 VAL 57 -3.167 -0.598 -8.962 466 HG12 VAL 57 2HG1 VAL 57 -2.382 0.597 -9.992 467 HG13 VAL 57 3HG1 VAL 57 -1.673 -1.007 -9.807 468 HG21 VAL 57 3HG2 VAL 57 -4.254 -2.775 -10.311 469 HG22 VAL 57 1HG2 VAL 57 -5.341 -1.848 -11.345 470 HG23 VAL 57 2HG2 VAL 57 -5.024 -1.314 -9.694 471 H LEU 58 H LEU 58 -6.429 0.140 -11.383 472 HA LEU 58 HA LEU 58 -6.672 2.721 -10.043 473 HB2 LEU 58 2HB LEU 58 -8.542 1.779 -11.365 474 HB3 LEU 58 1HB LEU 58 -8.633 0.411 -10.258 475 HG LEU 58 HG LEU 58 -9.095 2.002 -8.388 476 HD11 LEU 58 1HD1 LEU 58 -8.405 4.124 -8.815 477 HD12 LEU 58 2HD1 LEU 58 -9.975 4.297 -9.597 478 HD13 LEU 58 3HD1 LEU 58 -8.547 3.921 -10.561 479 HD21 LEU 58 3HD2 LEU 58 -11.112 2.647 -10.499 480 HD22 LEU 58 1HD2 LEU 58 -11.359 2.081 -8.848 481 HD23 LEU 58 2HD2 LEU 58 -10.846 0.950 -10.099 482 H TRP 59 H TRP 59 -6.449 3.064 -7.862 483 HA TRP 59 HA TRP 59 -5.885 0.687 -6.192 484 HB2 TRP 59 2HB TRP 59 -5.403 3.646 -5.805 485 HB3 TRP 59 1HB TRP 59 -5.097 2.449 -4.546 486 HD1 TRP 59 HD TRP 59 -3.586 3.960 -7.587 487 HE1 TRP 59 1HE TRP 59 -1.403 2.729 -8.201 488 HE3 TRP 59 3HE TRP 59 -3.964 -0.082 -4.507 489 HZ2 TRP 59 2HZ TRP 59 -0.006 0.339 -7.480 490 HZ3 TRP 59 3HZ TRP 59 -2.201 -1.814 -4.482 491 HH2 TRP 59 HH TRP 59 -0.221 -1.613 -5.963 492 H ASP 60 H ASP 60 -7.402 -0.088 -4.889 493 HA ASP 60 HA ASP 60 -9.301 1.715 -3.534 494 HB2 ASP 60 2HB ASP 60 -11.269 0.424 -4.241 495 HB3 ASP 60 1HB ASP 60 -10.447 1.092 -5.652 496 H GLU 61 H GLU 61 -10.740 0.176 -2.028 497 HA GLU 61 HA GLU 61 -8.957 -1.122 -0.252 498 HB2 GLU 61 2HB GLU 61 -11.947 -1.506 -0.561 499 HB3 GLU 61 1HB GLU 61 -10.999 -1.987 0.847 500 HG2 GLU 61 2HG GLU 61 -10.315 0.367 1.183 501 HG3 GLU 61 1HG GLU 61 -11.294 0.842 -0.207 502 H ASN 62 H ASN 62 -11.033 -2.527 -2.788 503 HA ASN 62 HA ASN 62 -10.376 -5.258 -2.089 504 HB2 ASN 62 2HB ASN 62 -12.407 -4.589 -3.381 505 HB3 ASN 62 1HB ASN 62 -11.362 -4.175 -4.742 506 HD21 ASN 62 1HD2 ASN 62 -10.671 -5.873 -6.094 507 HD22 ASN 62 2HD2 ASN 62 -10.989 -7.514 -5.793 508 H ASN 63 H ASN 63 -9.389 -3.265 -4.878 509 HA ASN 63 HA ASN 63 -7.456 -5.082 -5.881 510 HB2 ASN 63 2HB ASN 63 -8.411 -3.085 -7.083 511 HB3 ASN 63 1HB ASN 63 -7.343 -2.070 -6.112 512 HD21 ASN 63 1HD2 ASN 63 -5.405 -1.612 -7.134 513 HD22 ASN 63 2HD2 ASN 63 -4.629 -2.616 -8.259 514 H MET 64 H MET 64 -7.108 -2.439 -3.532 515 HA MET 64 HA MET 64 -4.275 -2.486 -3.357 516 HB2 MET 64 2HB MET 64 -5.786 -0.770 -2.310 517 HB3 MET 64 1HB MET 64 -6.195 -1.957 -1.071 518 HG2 MET 64 2HG MET 64 -4.438 -0.721 -0.096 519 HG3 MET 64 1HG MET 64 -3.633 -2.160 -0.721 520 HE1 MET 64 3HE MET 64 -3.436 1.907 -0.966 521 HE2 MET 64 1HE MET 64 -4.976 1.163 -1.420 522 HE3 MET 64 2HE MET 64 -3.971 1.935 -2.645 523 H SER 65 H SER 65 -6.718 -4.470 -1.692 524 HA SER 65 HA SER 65 -4.938 -5.795 0.097 525 HB2 SER 65 2HB SER 65 -7.398 -6.974 -1.223 526 HB3 SER 65 1HB SER 65 -6.656 -7.504 0.283 527 HG SER 65 HG SER 65 -8.454 -6.104 0.608 528 H GLU 66 H GLU 66 -5.859 -6.546 -3.258 529 HA GLU 66 HA GLU 66 -4.504 -9.045 -3.436 530 HB2 GLU 66 2HB GLU 66 -5.056 -6.956 -5.565 531 HB3 GLU 66 1HB GLU 66 -4.517 -8.603 -5.892 532 HG2 GLU 66 2HG GLU 66 -6.525 -9.476 -4.722 533 HG3 GLU 66 1HG GLU 66 -7.078 -7.820 -4.475 534 H HIS 67 H HIS 67 -3.364 -5.723 -3.758 535 HA HIS 67 HA HIS 67 -0.828 -6.270 -4.922 536 HB2 HIS 67 2HB HIS 67 -1.799 -4.006 -4.685 537 HB3 HIS 67 1HB HIS 67 -1.531 -4.088 -2.944 538 HD1 HIS 67 1HD HIS 67 0.614 -4.782 -6.016 539 HD2 HIS 67 2HD HIS 67 0.872 -2.846 -2.336 540 HE1 HIS 67 1HE HIS 67 2.934 -3.786 -5.893 541 HE2 HIS 67 2HE HIS 67 3.107 -2.610 -3.653 542 H LEU 68 H LEU 68 -1.738 -5.993 -1.482 543 HA LEU 68 HA LEU 68 0.844 -6.463 -0.418 544 HB2 LEU 68 2HB LEU 68 -1.939 -6.949 0.620 545 HB3 LEU 68 1HB LEU 68 -0.532 -7.431 1.564 546 HG LEU 68 HG LEU 68 0.292 -5.175 1.648 547 HD11 LEU 68 1HD1 LEU 68 -1.907 -4.585 -0.348 548 HD12 LEU 68 2HD1 LEU 68 -0.170 -4.434 -0.607 549 HD13 LEU 68 3HD1 LEU 68 -0.997 -3.334 0.495 550 HD21 LEU 68 3HD2 LEU 68 -1.394 -5.511 3.304 551 HD22 LEU 68 1HD2 LEU 68 -2.688 -5.384 2.113 552 HD23 LEU 68 2HD2 LEU 68 -1.763 -3.951 2.564 553 H THR 69 H THR 69 -1.538 -8.717 -1.712 554 HA THR 69 HA THR 69 0.012 -11.026 -0.744 555 HB THR 69 HB THR 69 -2.262 -11.016 -2.747 556 HG1 THR 69 1HG THR 69 -3.364 -11.673 -0.655 557 HG21 THR 69 3HG2 THR 69 -1.385 -13.161 -0.803 558 HG22 THR 69 1HG2 THR 69 -0.789 -13.072 -2.461 559 HG23 THR 69 2HG2 THR 69 -2.507 -13.323 -2.153 560 H ASN 70 H ASN 70 1.712 -11.846 -1.844 561 HA ASN 70 HA ASN 70 3.354 -11.990 -3.533 562 HB2 ASN 70 2HB ASN 70 0.870 -12.464 -5.204 563 HB3 ASN 70 1HB ASN 70 2.501 -13.040 -5.551 564 HD21 ASN 70 1HD2 ASN 70 3.179 -13.802 -2.816 565 HD22 ASN 70 2HD2 ASN 70 2.233 -15.154 -2.420 566 HA PRO 71 HA PRO 71 2.256 -7.685 -5.223 567 HB2 PRO 71 2HB PRO 71 4.440 -6.439 -4.088 568 HB3 PRO 71 1HB PRO 71 2.835 -6.502 -3.343 569 HG2 PRO 71 2HG PRO 71 5.241 -8.149 -2.797 570 HG3 PRO 71 1HG PRO 71 4.034 -7.506 -1.670 571 HD2 PRO 71 2HD PRO 71 4.037 -10.110 -2.449 572 HD3 PRO 71 1HD PRO 71 2.537 -9.232 -2.072 573 H ALA 72 H ALA 72 5.099 -9.719 -5.121 574 HA ALA 72 HA ALA 72 6.834 -8.301 -6.841 575 HB1 ALA 72 1HB ALA 72 6.633 -11.257 -7.185 576 HB2 ALA 72 2HB ALA 72 7.033 -10.654 -5.578 577 HB3 ALA 72 3HB ALA 72 8.060 -10.248 -6.952 578 H LYS 73 H LYS 73 4.574 -10.916 -7.819 579 HA LYS 73 HA LYS 73 4.884 -10.450 -10.620 580 HB2 LYS 73 2HB LYS 73 2.551 -11.635 -9.084 581 HB3 LYS 73 1HB LYS 73 2.747 -11.723 -10.834 582 HG2 LYS 73 2HG LYS 73 4.940 -12.868 -10.490 583 HG3 LYS 73 1HG LYS 73 4.629 -12.872 -8.754 584 HD2 LYS 73 2HD LYS 73 2.512 -14.134 -9.182 585 HD3 LYS 73 1HD LYS 73 2.953 -14.223 -10.888 586 HE2 LYS 73 2HE LYS 73 4.869 -15.167 -8.764 587 HE3 LYS 73 1HE LYS 73 3.584 -16.225 -9.347 588 HZ1 LYS 73 3HZ LYS 73 5.092 -16.736 -10.908 589 HZ2 LYS 73 1HZ LYS 73 5.980 -15.307 -10.691 590 HZ3 LYS 73 2HZ LYS 73 4.573 -15.294 -11.642 591 H TYR 74 H TYR 74 2.794 -9.004 -8.196 592 HA TYR 74 HA TYR 74 0.907 -7.725 -9.868 593 HB2 TYR 74 2HB TYR 74 0.767 -7.831 -7.399 594 HB3 TYR 74 1HB TYR 74 2.116 -6.703 -7.285 595 HD1 TYR 74 2HD TYR 74 -1.431 -7.092 -8.225 596 HD2 TYR 74 1HD TYR 74 1.859 -4.368 -7.836 597 HE1 TYR 74 2HE TYR 74 -2.995 -5.176 -8.416 598 HE2 TYR 74 1HE TYR 74 0.306 -2.452 -8.021 599 HH TYR 74 HH TYR 74 -1.902 -1.857 -7.935 600 H ILE 75 H ILE 75 4.054 -6.444 -8.693 601 HA ILE 75 HA ILE 75 4.406 -4.954 -11.159 602 HB ILE 75 HB ILE 75 2.749 -3.577 -9.792 603 HG12 ILE 75 2HG1 ILE 75 4.340 -1.471 -10.002 604 HG13 ILE 75 1HG1 ILE 75 5.361 -2.623 -10.868 605 HG21 ILE 75 1HG2 ILE 75 3.311 -2.640 -7.795 606 HG22 ILE 75 2HG2 ILE 75 5.018 -2.532 -8.197 607 HG23 ILE 75 3HG2 ILE 75 4.333 -4.072 -7.671 608 HD11 ILE 75 3HD1 ILE 75 3.497 -3.177 -12.365 609 HD12 ILE 75 1HD1 ILE 75 3.812 -1.442 -12.403 610 HD13 ILE 75 2HD1 ILE 75 2.447 -2.068 -11.481 611 HA PRO 76 HA PRO 76 8.245 -6.028 -8.845 612 HB2 PRO 76 2HB PRO 76 9.434 -7.447 -10.838 613 HB3 PRO 76 1HB PRO 76 8.261 -8.158 -9.715 614 HG2 PRO 76 2HG PRO 76 7.926 -7.355 -12.537 615 HG3 PRO 76 1HG PRO 76 7.124 -8.638 -11.620 616 HD2 PRO 76 2HD PRO 76 6.032 -6.115 -12.239 617 HD3 PRO 76 1HD PRO 76 5.388 -7.267 -11.054 618 H GLY 77 H GLY 77 7.685 -4.529 -11.941 619 HA2 GLY 77 2HA GLY 77 10.310 -3.769 -12.665 620 HA3 GLY 77 1HA GLY 77 8.866 -2.838 -13.059 621 H THR 78 H THR 78 8.219 -2.539 -10.137 622 HA THR 78 HA THR 78 9.751 -0.095 -9.725 623 HB THR 78 HB THR 78 8.345 0.251 -7.804 624 HG1 THR 78 1HG THR 78 8.584 -1.962 -7.071 625 HG21 THR 78 3HG2 THR 78 6.070 -0.215 -8.785 626 HG22 THR 78 1HG2 THR 78 6.876 -1.124 -10.061 627 HG23 THR 78 2HG2 THR 78 7.180 0.603 -9.884 628 H LYS 79 H LYS 79 10.898 0.336 -7.658 629 HA LYS 79 HA LYS 79 12.821 -1.785 -7.078 630 HB2 LYS 79 2HB LYS 79 12.449 0.845 -5.621 631 HB3 LYS 79 1HB LYS 79 13.924 -0.110 -5.754 632 HG2 LYS 79 2HG LYS 79 14.064 0.335 -8.139 633 HG3 LYS 79 1HG LYS 79 12.508 1.164 -8.109 634 HD2 LYS 79 2HD LYS 79 13.644 2.675 -6.293 635 HD3 LYS 79 1HD LYS 79 15.147 2.061 -6.982 636 HE2 LYS 79 2HE LYS 79 12.962 3.272 -8.695 637 HE3 LYS 79 1HE LYS 79 14.248 4.235 -7.985 638 HZ1 LYS 79 3HZ LYS 79 14.538 1.979 -9.883 639 HZ2 LYS 79 1HZ LYS 79 15.845 2.677 -9.057 640 HZ3 LYS 79 2HZ LYS 79 14.937 3.610 -10.149 641 H MET 80 H MET 80 9.738 -1.428 -6.139 642 HA MET 80 HA MET 80 9.984 -1.748 -3.255 643 HB2 MET 80 2HB MET 80 8.025 -0.673 -4.299 644 HB3 MET 80 1HB MET 80 7.615 -2.195 -5.086 645 HG2 MET 80 2HG MET 80 7.227 -3.275 -2.973 646 HG3 MET 80 1HG MET 80 7.886 -1.899 -2.087 647 HE1 MET 80 3HE MET 80 5.356 -3.371 -1.571 648 HE2 MET 80 1HE MET 80 4.592 -3.549 -3.157 649 HE3 MET 80 2HE MET 80 3.837 -2.549 -1.918 650 H ALA 81 H ALA 81 9.810 -3.615 -2.063 651 HA ALA 81 HA ALA 81 9.259 -6.184 -3.417 652 HB1 ALA 81 1HB ALA 81 11.905 -5.358 -2.304 653 HB2 ALA 81 2HB ALA 81 11.544 -6.408 -3.674 654 HB3 ALA 81 3HB ALA 81 11.379 -7.017 -2.026 655 H PHE 82 H PHE 82 7.377 -6.094 -2.052 656 HA PHE 82 HA PHE 82 7.884 -6.284 0.878 657 HB2 PHE 82 2HB PHE 82 6.216 -4.619 0.144 658 HB3 PHE 82 1HB PHE 82 5.289 -5.894 -0.644 659 HD1 PHE 82 1HD PHE 82 6.471 -4.614 2.635 660 HD2 PHE 82 2HD PHE 82 3.889 -7.384 0.608 661 HE1 PHE 82 1HE PHE 82 5.317 -5.106 4.774 662 HE2 PHE 82 2HE PHE 82 2.737 -7.878 2.746 663 HZ PHE 82 HZ PHE 82 3.449 -6.740 4.831 664 H GLY 83 H GLY 83 7.518 -8.197 1.957 665 HA2 GLY 83 2HA GLY 83 7.105 -10.613 0.404 666 HA3 GLY 83 1HA GLY 83 7.227 -10.528 2.162 667 H GLY 84 H GLY 84 5.228 -11.872 0.261 668 HA2 GLY 84 2HA GLY 84 2.705 -10.506 0.659 669 HA3 GLY 84 1HA GLY 84 2.896 -12.180 0.135 670 H LEU 85 H LEU 85 1.011 -11.131 2.149 671 HA LEU 85 HA LEU 85 2.097 -12.263 4.672 672 HB2 LEU 85 2HB LEU 85 -0.564 -10.901 4.165 673 HB3 LEU 85 1HB LEU 85 0.135 -11.285 5.737 674 HG LEU 85 HG LEU 85 1.285 -9.370 3.688 675 HD11 LEU 85 1HD1 LEU 85 0.562 -8.607 6.482 676 HD12 LEU 85 2HD1 LEU 85 -0.755 -8.836 5.334 677 HD13 LEU 85 3HD1 LEU 85 0.503 -7.645 5.005 678 HD21 LEU 85 3HD2 LEU 85 2.787 -8.907 5.815 679 HD22 LEU 85 1HD2 LEU 85 3.193 -10.223 4.714 680 HD23 LEU 85 2HD2 LEU 85 2.352 -10.566 6.225 681 H LYS 86 H LYS 86 1.626 -14.328 5.216 682 HA LYS 86 HA LYS 86 0.039 -16.030 3.554 683 HB2 LYS 86 2HB LYS 86 1.880 -16.818 5.046 684 HB3 LYS 86 1HB LYS 86 0.850 -16.485 6.438 685 HG2 LYS 86 2HG LYS 86 -0.818 -18.081 5.631 686 HG3 LYS 86 1HG LYS 86 0.134 -18.372 4.176 687 HD2 LYS 86 2HD LYS 86 0.581 -20.167 5.744 688 HD3 LYS 86 1HD LYS 86 2.020 -19.154 5.635 689 HE2 LYS 86 2HE LYS 86 -0.036 -18.524 7.727 690 HE3 LYS 86 1HE LYS 86 1.078 -19.867 7.998 691 HZ1 LYS 86 3HZ LYS 86 2.507 -17.658 7.003 692 HZ2 LYS 86 1HZ LYS 86 2.668 -18.435 8.504 693 HZ3 LYS 86 2HZ LYS 86 1.570 -17.149 8.326 694 H LYS 87 H LYS 87 -0.702 -14.369 6.621 695 HA LYS 87 HA LYS 87 -3.397 -15.548 6.643 696 HB2 LYS 87 2HB LYS 87 -2.057 -13.546 8.477 697 HB3 LYS 87 1HB LYS 87 -3.685 -14.181 8.717 698 HG2 LYS 87 2HG LYS 87 -2.710 -16.497 8.715 699 HG3 LYS 87 1HG LYS 87 -1.104 -15.766 8.675 700 HD2 LYS 87 2HD LYS 87 -1.667 -14.519 10.765 701 HD3 LYS 87 1HD LYS 87 -3.203 -15.386 10.826 702 HE2 LYS 87 2HE LYS 87 -1.625 -16.545 12.259 703 HE3 LYS 87 1HE LYS 87 -1.909 -17.542 10.832 704 HZ1 LYS 87 3HZ LYS 87 0.407 -15.753 11.325 705 HZ2 LYS 87 1HZ LYS 87 0.110 -16.540 9.852 706 HZ3 LYS 87 2HZ LYS 87 0.424 -17.451 11.251 707 H GLU 88 H GLU 88 -5.144 -14.596 5.778 708 HA GLU 88 HA GLU 88 -4.898 -12.068 4.362 709 HB2 GLU 88 2HB GLU 88 -7.299 -13.828 4.936 710 HB3 GLU 88 1HB GLU 88 -7.324 -12.421 3.872 711 HG2 GLU 88 2HG GLU 88 -5.547 -13.465 2.484 712 HG3 GLU 88 1HG GLU 88 -5.600 -14.890 3.521 713 H LYS 89 H LYS 89 -6.341 -13.117 7.422 714 HA LYS 89 HA LYS 89 -7.881 -10.808 7.985 715 HB2 LYS 89 2HB LYS 89 -6.366 -12.624 9.884 716 HB3 LYS 89 1HB LYS 89 -7.583 -11.445 10.381 717 HG2 LYS 89 2HG LYS 89 -9.234 -12.587 8.893 718 HG3 LYS 89 1HG LYS 89 -8.018 -13.814 8.539 719 HD2 LYS 89 2HD LYS 89 -7.862 -14.307 10.984 720 HD3 LYS 89 1HD LYS 89 -9.177 -13.166 11.264 721 HE2 LYS 89 2HE LYS 89 -9.842 -15.059 9.155 722 HE3 LYS 89 1HE LYS 89 -9.446 -15.883 10.662 723 HZ1 LYS 89 3HZ LYS 89 -11.804 -14.574 10.021 724 HZ2 LYS 89 1HZ LYS 89 -11.041 -13.619 11.198 725 HZ3 LYS 89 2HZ LYS 89 -11.372 -15.255 11.517 726 H ASP 90 H ASP 90 -4.444 -11.471 8.725 727 HA ASP 90 HA ASP 90 -3.946 -9.001 10.066 728 HB2 ASP 90 2HB ASP 90 -2.109 -10.791 8.447 729 HB3 ASP 90 1HB ASP 90 -1.555 -9.443 9.436 730 H ARG 91 H ARG 91 -3.846 -9.936 6.661 731 HA ARG 91 HA ARG 91 -2.707 -7.571 5.588 732 HB2 ARG 91 2HB ARG 91 -3.086 -9.648 4.294 733 HB3 ARG 91 1HB ARG 91 -4.825 -9.366 4.370 734 HG2 ARG 91 2HG ARG 91 -4.523 -7.217 3.183 735 HG3 ARG 91 1HG ARG 91 -2.788 -7.527 3.082 736 HD2 ARG 91 2HD ARG 91 -3.796 -8.213 0.989 737 HD3 ARG 91 1HD ARG 91 -3.306 -9.663 1.863 738 HE ARG 91 HE ARG 91 -6.009 -9.074 2.548 739 HH11 ARG 91 1HH2 ARG 91 -4.027 -10.050 -0.098 740 HH12 ARG 91 2HH2 ARG 91 -5.282 -10.957 -0.876 741 HH21 ARG 91 1HH1 ARG 91 -7.658 -10.252 1.548 742 HH22 ARG 91 2HH1 ARG 91 -7.338 -11.071 0.057 743 H ASN 92 H ASN 92 -6.098 -8.355 6.346 744 HA ASN 92 HA ASN 92 -7.279 -6.031 5.230 745 HB2 ASN 92 2HB ASN 92 -8.467 -8.079 6.169 746 HB3 ASN 92 1HB ASN 92 -8.215 -7.378 7.768 747 HD21 ASN 92 1HD2 ASN 92 -10.690 -7.281 7.784 748 HD22 ASN 92 2HD2 ASN 92 -11.438 -5.944 7.053 749 H ASP 93 H ASP 93 -5.890 -6.552 8.477 750 HA ASP 93 HA ASP 93 -6.633 -4.024 9.548 751 HB2 ASP 93 2HB ASP 93 -4.280 -5.828 10.164 752 HB3 ASP 93 1HB ASP 93 -4.740 -4.431 11.132 753 H LEU 94 H LEU 94 -3.772 -5.043 7.693 754 HA LEU 94 HA LEU 94 -2.278 -2.648 7.968 755 HB2 LEU 94 2HB LEU 94 -1.369 -4.726 6.982 756 HB3 LEU 94 1HB LEU 94 -2.416 -4.513 5.578 757 HG LEU 94 HG LEU 94 -1.309 -2.387 5.049 758 HD11 LEU 94 1HD1 LEU 94 -0.023 -2.921 7.694 759 HD12 LEU 94 2HD1 LEU 94 -0.586 -1.398 7.006 760 HD13 LEU 94 3HD1 LEU 94 0.936 -2.106 6.458 761 HD21 LEU 94 3HD2 LEU 94 1.177 -3.729 5.257 762 HD22 LEU 94 1HD2 LEU 94 0.094 -3.696 3.866 763 HD23 LEU 94 2HD2 LEU 94 -0.048 -4.983 5.065 764 H ILE 95 H ILE 95 -4.761 -3.528 5.559 765 HA ILE 95 HA ILE 95 -4.564 -1.096 4.055 766 HB ILE 95 HB ILE 95 -6.935 -2.929 4.459 767 HG12 ILE 95 2HG1 ILE 95 -4.881 -2.822 2.230 768 HG13 ILE 95 1HG1 ILE 95 -4.879 -4.009 3.535 769 HG21 ILE 95 1HG2 ILE 95 -6.570 -0.436 2.980 770 HG22 ILE 95 2HG2 ILE 95 -8.055 -1.317 3.337 771 HG23 ILE 95 3HG2 ILE 95 -7.080 -1.763 1.936 772 HD11 ILE 95 3HD1 ILE 95 -6.705 -3.768 1.194 773 HD12 ILE 95 1HD1 ILE 95 -7.416 -4.316 2.713 774 HD13 ILE 95 2HD1 ILE 95 -6.082 -5.214 1.989 775 H THR 96 H THR 96 -6.430 -2.028 6.900 776 HA THR 96 HA THR 96 -8.143 0.228 7.051 777 HB THR 96 HB THR 96 -6.932 -1.180 9.439 778 HG1 THR 96 1HG THR 96 -7.921 -2.907 8.817 779 HG21 THR 96 3HG2 THR 96 -8.763 0.879 9.243 780 HG22 THR 96 1HG2 THR 96 -8.607 -0.216 10.618 781 HG23 THR 96 2HG2 THR 96 -9.796 -0.547 9.357 782 H TYR 97 H TYR 97 -4.830 -0.234 8.276 783 HA TYR 97 HA TYR 97 -4.653 2.210 9.718 784 HB2 TYR 97 2HB TYR 97 -2.990 0.392 9.902 785 HB3 TYR 97 1HB TYR 97 -2.442 0.736 8.262 786 HD1 TYR 97 1HD TYR 97 -2.769 2.170 11.678 787 HD2 TYR 97 2HD TYR 97 -0.963 2.550 7.800 788 HE1 TYR 97 1HE TYR 97 -1.271 3.945 12.550 789 HE2 TYR 97 2HE TYR 97 0.535 4.325 8.670 790 HH TYR 97 HH TYR 97 1.236 4.818 11.689 791 H LEU 98 H LEU 98 -3.764 1.519 6.305 792 HA LEU 98 HA LEU 98 -2.920 4.217 5.784 793 HB2 LEU 98 2HB LEU 98 -3.881 2.046 3.904 794 HB3 LEU 98 1HB LEU 98 -3.182 3.575 3.372 795 HG LEU 98 HG LEU 98 -1.796 1.559 5.167 796 HD11 LEU 98 1HD1 LEU 98 -1.366 0.497 3.215 797 HD12 LEU 98 2HD1 LEU 98 -0.354 1.883 2.805 798 HD13 LEU 98 3HD1 LEU 98 -2.032 1.825 2.265 799 HD21 LEU 98 3HD2 LEU 98 0.131 3.204 4.189 800 HD22 LEU 98 1HD2 LEU 98 -0.680 3.483 5.728 801 HD23 LEU 98 2HD2 LEU 98 -1.216 4.335 4.279 802 H LYS 99 H LYS 99 -6.053 2.591 5.435 803 HA LYS 99 HA LYS 99 -7.396 4.650 4.032 804 HB2 LYS 99 2HB LYS 99 -8.398 2.664 6.088 805 HB3 LYS 99 1HB LYS 99 -9.461 3.727 5.169 806 HG2 LYS 99 2HG LYS 99 -8.706 2.765 3.073 807 HG3 LYS 99 1HG LYS 99 -7.489 1.804 3.908 808 HD2 LYS 99 2HD LYS 99 -9.508 0.466 3.348 809 HD3 LYS 99 1HD LYS 99 -9.241 0.561 5.087 810 HE2 LYS 99 2HE LYS 99 -10.994 2.596 3.743 811 HE3 LYS 99 1HE LYS 99 -11.643 1.003 4.130 812 HZ1 LYS 99 3HZ LYS 99 -11.506 1.372 6.344 813 HZ2 LYS 99 1HZ LYS 99 -11.688 2.984 5.850 814 HZ3 LYS 99 2HZ LYS 99 -10.144 2.379 6.220 815 H LYS 100 H LYS 100 -6.825 4.244 7.525 816 HA LYS 100 HA LYS 100 -8.410 6.452 8.398 817 HB2 LYS 100 2HB LYS 100 -5.895 5.234 9.564 818 HB3 LYS 100 1HB LYS 100 -6.888 6.429 10.398 819 HG2 LYS 100 2HG LYS 100 -8.840 4.908 10.215 820 HG3 LYS 100 1HG LYS 100 -7.807 3.703 9.446 821 HD2 LYS 100 2HD LYS 100 -6.379 3.623 11.437 822 HD3 LYS 100 1HD LYS 100 -7.362 4.868 12.203 823 HE2 LYS 100 2HE LYS 100 -9.312 3.394 12.180 824 HE3 LYS 100 1HE LYS 100 -8.400 2.164 11.305 825 HZ1 LYS 100 3HZ LYS 100 -8.063 1.409 13.391 826 HZ2 LYS 100 1HZ LYS 100 -8.271 2.932 14.111 827 HZ3 LYS 100 2HZ LYS 100 -6.795 2.539 13.367 828 H ALA 101 H ALA 101 -4.979 6.254 7.510 829 HA ALA 101 HA ALA 101 -4.335 8.984 8.024 830 HB1 ALA 101 1HB ALA 101 -3.057 6.705 6.829 831 HB2 ALA 101 2HB ALA 101 -2.312 8.170 7.468 832 HB3 ALA 101 3HB ALA 101 -2.821 8.104 5.781 833 H THR 102 H THR 102 -5.822 7.405 5.244 834 HA THR 102 HA THR 102 -5.607 9.670 3.465 835 HB THR 102 HB THR 102 -7.216 8.482 2.078 836 HG1 THR 102 1HG THR 102 -8.751 7.624 3.238 837 HG21 THR 102 3HG2 THR 102 -5.431 7.199 1.587 838 HG22 THR 102 1HG2 THR 102 -6.065 6.019 2.734 839 HG23 THR 102 2HG2 THR 102 -4.882 7.217 3.263 840 H GLU 103 H GLU 103 -7.696 8.895 6.117 841 HA GLU 103 HA GLU 103 -9.989 10.437 5.385 842 HB2 GLU 103 2HB GLU 103 -9.893 8.827 7.303 843 HB3 GLU 103 1HB GLU 103 -8.887 9.984 8.174 844 HG2 GLU 103 2HG GLU 103 -10.704 11.679 7.949 845 HG3 GLU 103 1HG GLU 103 -11.715 10.453 7.184 846 HHA HEC 201 HA HEC 104 4.685 2.742 -5.705 847 HHB HEC 201 HB HEC 104 1.065 -0.110 -1.373 848 HHC HEC 201 HC HEC 104 6.189 -1.249 2.143 849 HHD HEC 201 HD HEC 104 9.833 1.373 -2.317 850 HMA1 HEC 201 1HMA HEC 104 -0.123 1.479 -2.515 851 HMA2 HEC 201 2HMA HEC 104 -0.251 0.405 -3.909 852 HMA3 HEC 201 3HMA HEC 104 -0.173 2.150 -4.147 853 HAA1 HEC 201 1HAA HEC 104 2.572 1.398 -6.656 854 HAA2 HEC 201 2HAA HEC 104 0.971 1.852 -6.095 855 HBA1 HEC 201 1HBA HEC 104 2.905 3.520 -7.297 856 HBA2 HEC 201 2HBA HEC 104 2.795 4.022 -5.610 857 HMB1 HEC 201 1HMB HEC 104 0.458 -1.215 1.266 858 HMB2 HEC 201 2HMB HEC 104 0.881 -2.066 -0.212 859 HMB3 HEC 201 3HMB HEC 104 1.359 -2.729 1.342 860 HAB HEC 201 HAB HEC 104 4.426 -2.082 3.253 861 HBB1 HEC 201 1HBB HEC 104 2.211 -3.000 3.361 862 HBB2 HEC 201 2HBB HEC 104 1.479 -1.399 3.247 863 HBB3 HEC 201 3HBB HEC 104 2.367 -1.859 4.690 864 HMC1 HEC 201 1HMC HEC 104 8.462 -1.273 2.893 865 HMC2 HEC 201 2HMC HEC 104 10.014 -1.370 2.058 866 HMC3 HEC 201 3HMC HEC 104 8.707 -2.471 1.622 867 HAC HEC 201 HAC HEC 104 10.886 1.415 -0.384 868 HBC1 HEC 201 1HBC HEC 104 12.448 -0.193 -0.580 869 HBC2 HEC 201 2HBC HEC 104 12.084 -0.798 1.036 870 HBC3 HEC 201 3HBC HEC 104 11.169 -1.387 -0.351 871 HMD1 HEC 201 1HMD HEC 104 10.487 2.546 -4.173 872 HMD2 HEC 201 2HMD HEC 104 9.855 2.919 -5.776 873 HMD3 HEC 201 3HMD HEC 104 9.987 1.241 -5.249 874 HAD1 HEC 201 1HAD HEC 104 8.094 4.345 -6.083 875 HAD2 HEC 201 2HAD HEC 104 6.339 4.284 -6.048 876 HBD1 HEC 201 1HBD HEC 104 8.229 2.704 -7.781 877 HBD2 HEC 201 2HBD HEC 104 6.566 2.179 -7.521 Start of MODEL 14 1 H1 THR -5 1HT THR -5 -15.103 -7.808 -3.843 2 H2 THR -5 2HT THR -5 -14.629 -7.857 -2.213 3 H3 THR -5 3HT THR -5 -13.563 -7.259 -3.393 4 HA THR -5 HA THR -5 -14.422 -5.225 -3.316 5 HB THR -5 HB THR -5 -16.963 -4.938 -3.268 6 HG1 THR -5 1HG THR -5 -16.693 -7.744 -3.320 7 HG21 THR -5 1HG2 THR -5 -16.979 -6.391 -5.608 8 HG22 THR -5 2HG2 THR -5 -15.258 -6.105 -5.356 9 HG23 THR -5 3HG2 THR -5 -16.375 -4.742 -5.446 10 H GLU -4 H GLU -4 -14.056 -4.128 -1.459 11 HA GLU -4 HA GLU -4 -14.107 -3.538 0.810 12 HB2 GLU -4 2HB GLU -4 -16.525 -3.200 0.222 13 HB3 GLU -4 1HB GLU -4 -16.839 -4.852 0.753 14 HG2 GLU -4 2HG GLU -4 -15.910 -4.275 2.994 15 HG3 GLU -4 1HG GLU -4 -15.721 -2.605 2.454 16 H PHE -3 H PHE -3 -13.725 -4.450 2.897 17 HA PHE -3 HA PHE -3 -13.755 -7.435 2.999 18 HB2 PHE -3 2HB PHE -3 -11.576 -7.391 4.102 19 HB3 PHE -3 1HB PHE -3 -11.469 -6.570 2.547 20 HD1 PHE -3 1HD PHE -3 -11.364 -4.092 2.433 21 HD2 PHE -3 2HD PHE -3 -11.339 -6.195 6.169 22 HE1 PHE -3 1HE PHE -3 -10.552 -2.045 3.578 23 HE2 PHE -3 2HE PHE -3 -10.532 -4.149 7.322 24 HZ PHE -3 HZ PHE -3 -10.140 -2.076 6.023 25 H LYS -2 H LYS -2 -13.591 -8.227 5.328 26 HA LYS -2 HA LYS -2 -15.653 -7.031 6.902 27 HB2 LYS -2 2HB LYS -2 -14.965 -9.426 7.044 28 HB3 LYS -2 1HB LYS -2 -13.475 -8.918 7.839 29 HG2 LYS -2 2HG LYS -2 -14.744 -7.930 9.675 30 HG3 LYS -2 1HG LYS -2 -16.264 -8.310 8.862 31 HD2 LYS -2 2HD LYS -2 -15.863 -10.018 10.532 32 HD3 LYS -2 1HD LYS -2 -15.617 -10.742 8.941 33 HE2 LYS -2 2HE LYS -2 -13.282 -10.768 9.174 34 HE3 LYS -2 1HE LYS -2 -13.297 -9.529 10.430 35 HZ1 LYS -2 3HZ LYS -2 -14.662 -11.308 11.709 36 HZ2 LYS -2 1HZ LYS -2 -12.971 -11.423 11.652 37 HZ3 LYS -2 2HZ LYS -2 -13.922 -12.393 10.632 38 H ALA -1 H ALA -1 -15.583 -5.355 8.315 39 HA ALA -1 HA ALA -1 -13.530 -3.549 8.634 40 HB1 ALA -1 1HB ALA -1 -14.560 -2.835 10.706 41 HB2 ALA -1 2HB ALA -1 -15.338 -4.404 10.912 42 HB3 ALA -1 3HB ALA -1 -15.841 -3.334 9.602 43 H GLY 1 H GLY 1 -11.471 -4.469 8.783 44 HA2 GLY 1 2HA GLY 1 -10.895 -6.312 11.026 45 HA3 GLY 1 1HA GLY 1 -9.779 -5.886 9.728 46 H SER 2 H SER 2 -9.281 -5.789 12.629 47 HA SER 2 HA SER 2 -9.358 -3.040 13.508 48 HB2 SER 2 2HB SER 2 -8.024 -3.769 15.351 49 HB3 SER 2 1HB SER 2 -9.079 -5.127 14.967 50 HG SER 2 HG SER 2 -6.978 -5.874 15.166 51 H ALA 3 H ALA 3 -7.502 -1.597 13.690 52 HA ALA 3 HA ALA 3 -5.612 -1.965 11.421 53 HB1 ALA 3 1HB ALA 3 -6.070 0.208 11.060 54 HB2 ALA 3 2HB ALA 3 -5.266 0.589 12.584 55 HB3 ALA 3 3HB ALA 3 -7.005 0.294 12.554 56 H LYS 4 H LYS 4 -5.727 -2.282 14.794 57 HA LYS 4 HA LYS 4 -3.185 -1.301 15.589 58 HB2 LYS 4 2HB LYS 4 -4.963 -2.125 17.146 59 HB3 LYS 4 1HB LYS 4 -4.585 -3.773 16.646 60 HG2 LYS 4 2HG LYS 4 -2.240 -3.440 17.395 61 HG3 LYS 4 1HG LYS 4 -2.667 -1.823 17.953 62 HD2 LYS 4 2HD LYS 4 -4.388 -2.842 19.452 63 HD3 LYS 4 1HD LYS 4 -3.827 -4.439 18.957 64 HE2 LYS 4 2HE LYS 4 -1.878 -4.280 20.158 65 HE3 LYS 4 1HE LYS 4 -1.745 -2.539 19.913 66 HZ1 LYS 4 3HZ LYS 4 -4.012 -3.403 21.495 67 HZ2 LYS 4 1HZ LYS 4 -2.954 -2.100 21.734 68 HZ3 LYS 4 2HZ LYS 4 -2.494 -3.666 22.210 69 H LYS 5 H LYS 5 -4.084 -4.585 14.457 70 HA LYS 5 HA LYS 5 -1.402 -5.603 14.541 71 HB2 LYS 5 2HB LYS 5 -3.772 -6.445 12.843 72 HB3 LYS 5 1HB LYS 5 -2.281 -7.371 13.013 73 HG2 LYS 5 2HG LYS 5 -2.657 -7.450 15.480 74 HG3 LYS 5 1HG LYS 5 -4.203 -6.636 15.239 75 HD2 LYS 5 2HD LYS 5 -4.899 -8.500 13.725 76 HD3 LYS 5 1HD LYS 5 -3.394 -9.332 14.113 77 HE2 LYS 5 2HE LYS 5 -3.998 -9.523 16.430 78 HE3 LYS 5 1HE LYS 5 -5.377 -8.443 16.220 79 HZ1 LYS 5 3HZ LYS 5 -5.033 -11.198 15.199 80 HZ2 LYS 5 1HZ LYS 5 -6.198 -10.147 14.556 81 HZ3 LYS 5 2HZ LYS 5 -6.267 -10.588 16.196 82 H GLY 6 H GLY 6 -3.339 -4.225 11.883 83 HA2 GLY 6 2HA GLY 6 -1.303 -4.443 9.887 84 HA3 GLY 6 1HA GLY 6 -2.677 -3.340 9.819 85 H ALA 7 H ALA 7 -1.943 -2.035 12.377 86 HA ALA 7 HA ALA 7 -0.370 0.092 11.349 87 HB1 ALA 7 1HB ALA 7 -1.880 0.201 13.367 88 HB2 ALA 7 2HB ALA 7 -0.296 0.935 13.614 89 HB3 ALA 7 3HB ALA 7 -0.638 -0.667 14.269 90 H THR 8 H THR 8 0.588 -2.627 13.456 91 HA THR 8 HA THR 8 3.363 -1.803 13.537 92 HB THR 8 HB THR 8 3.751 -3.962 14.593 93 HG1 THR 8 1HG THR 8 2.116 -5.509 14.616 94 HG21 THR 8 3HG2 THR 8 2.836 -2.997 16.403 95 HG22 THR 8 1HG2 THR 8 1.307 -3.759 15.970 96 HG23 THR 8 2HG2 THR 8 1.671 -2.130 15.402 97 H LEU 9 H LEU 9 1.486 -4.090 11.551 98 HA LEU 9 HA LEU 9 3.683 -5.263 10.167 99 HB2 LEU 9 2HB LEU 9 1.280 -6.023 10.014 100 HB3 LEU 9 1HB LEU 9 0.956 -4.614 9.002 101 HG LEU 9 HG LEU 9 3.013 -5.519 7.615 102 HD11 LEU 9 1HD1 LEU 9 3.042 -8.017 7.643 103 HD12 LEU 9 2HD1 LEU 9 1.994 -7.981 9.061 104 HD13 LEU 9 3HD1 LEU 9 3.622 -7.311 9.152 105 HD21 LEU 9 3HD2 LEU 9 1.403 -6.925 6.288 106 HD22 LEU 9 1HD2 LEU 9 0.780 -5.325 6.689 107 HD23 LEU 9 2HD2 LEU 9 0.235 -6.736 7.596 108 H PHE 10 H PHE 10 1.827 -2.314 9.608 109 HA PHE 10 HA PHE 10 3.095 -1.516 7.169 110 HB2 PHE 10 2HB PHE 10 0.993 -0.521 8.127 111 HB3 PHE 10 1HB PHE 10 1.972 0.247 9.372 112 HD1 PHE 10 2HD PHE 10 1.246 0.137 5.742 113 HD2 PHE 10 1HD PHE 10 3.346 2.157 8.896 114 HE1 PHE 10 2HE PHE 10 1.741 2.023 4.207 115 HE2 PHE 10 1HE PHE 10 3.834 4.041 7.364 116 HZ PHE 10 HZ PHE 10 3.039 3.974 5.023 117 H LYS 11 H LYS 11 3.755 -0.756 10.574 118 HA LYS 11 HA LYS 11 6.027 0.917 10.142 119 HB2 LYS 11 2HB LYS 11 4.700 0.617 12.302 120 HB3 LYS 11 1HB LYS 11 5.575 -0.895 12.524 121 HG2 LYS 11 2HG LYS 11 7.724 0.337 12.407 122 HG3 LYS 11 1HG LYS 11 6.830 1.851 12.253 123 HD2 LYS 11 2HD LYS 11 5.715 1.361 14.437 124 HD3 LYS 11 1HD LYS 11 6.742 -0.063 14.603 125 HE2 LYS 11 2HE LYS 11 8.526 1.170 15.241 126 HE3 LYS 11 1HE LYS 11 8.265 2.352 13.958 127 HZ1 LYS 11 3HZ LYS 11 6.545 2.254 16.361 128 HZ2 LYS 11 1HZ LYS 11 6.736 3.524 15.253 129 HZ3 LYS 11 2HZ LYS 11 7.991 3.146 16.333 130 H THR 12 H THR 12 5.709 -2.584 10.576 131 HA THR 12 HA THR 12 8.532 -3.107 10.729 132 HB THR 12 HB THR 12 7.916 -5.445 10.444 133 HG1 THR 12 1HG THR 12 6.080 -4.468 8.896 134 HG21 THR 12 3HG2 THR 12 5.616 -5.057 11.998 135 HG22 THR 12 1HG2 THR 12 6.613 -3.634 12.300 136 HG23 THR 12 2HG2 THR 12 7.266 -5.246 12.590 137 H ARG 13 H ARG 13 6.295 -2.901 7.966 138 HA ARG 13 HA ARG 13 8.678 -2.950 6.213 139 HB2 ARG 13 2HB ARG 13 6.346 -4.859 5.907 140 HB3 ARG 13 1HB ARG 13 7.606 -4.619 4.697 141 HG2 ARG 13 2HG ARG 13 9.309 -5.260 6.427 142 HG3 ARG 13 1HG ARG 13 7.982 -5.647 7.524 143 HD2 ARG 13 2HD ARG 13 7.099 -7.225 5.760 144 HD3 ARG 13 1HD ARG 13 8.593 -6.953 4.861 145 HE ARG 13 HE ARG 13 8.323 -8.533 7.314 146 HH11 ARG 13 1HH2 ARG 13 10.353 -6.719 5.200 147 HH12 ARG 13 2HH2 ARG 13 11.808 -7.519 5.695 148 HH21 ARG 13 1HH1 ARG 13 10.211 -9.588 7.972 149 HH22 ARG 13 2HH1 ARG 13 11.727 -9.142 7.265 150 H CYS 14 H CYS 14 7.415 -0.623 6.537 151 HA CYS 14 HA CYS 14 6.405 -0.044 3.914 152 HB2 CYS 14 2HB CYS 14 4.444 -1.214 5.260 153 HB3 CYS 14 1HB CYS 14 4.262 0.400 5.946 154 H LEU 15 H LEU 15 6.040 1.106 7.285 155 HA LEU 15 HA LEU 15 5.992 3.870 6.675 156 HB2 LEU 15 2HB LEU 15 5.507 2.897 8.925 157 HB3 LEU 15 1HB LEU 15 7.227 2.573 9.121 158 HG LEU 15 HG LEU 15 7.544 5.108 8.634 159 HD11 LEU 15 1HD1 LEU 15 5.545 6.432 9.453 160 HD12 LEU 15 2HD1 LEU 15 4.594 4.957 9.301 161 HD13 LEU 15 3HD1 LEU 15 5.334 5.681 7.873 162 HD21 LEU 15 3HD2 LEU 15 6.197 4.173 11.184 163 HD22 LEU 15 1HD2 LEU 15 7.179 5.629 11.015 164 HD23 LEU 15 2HD2 LEU 15 7.919 4.039 10.824 165 H GLN 16 H GLN 16 8.744 1.681 7.124 166 HA GLN 16 HA GLN 16 10.804 3.626 7.173 167 HB2 GLN 16 2HB GLN 16 10.821 0.827 6.007 168 HB3 GLN 16 1HB GLN 16 12.265 1.798 6.302 169 HG2 GLN 16 2HG GLN 16 11.714 1.915 8.695 170 HG3 GLN 16 1HG GLN 16 10.253 0.969 8.413 171 HE21 GLN 16 1HE2 GLN 16 12.308 0.027 10.174 172 HE22 GLN 16 2HE2 GLN 16 13.022 -1.346 9.475 173 H CYS 17 H CYS 17 9.042 2.214 4.448 174 HA CYS 17 HA CYS 17 10.722 3.762 2.554 175 HB2 CYS 17 2HB CYS 17 8.554 1.697 2.138 176 HB3 CYS 17 1HB CYS 17 9.358 2.550 0.822 177 H HIS 18 H HIS 18 7.299 3.451 3.518 178 HA HIS 18 HA HIS 18 6.726 5.943 1.979 179 HB2 HIS 18 2HB HIS 18 4.945 3.734 3.041 180 HB3 HIS 18 1HB HIS 18 4.311 5.246 2.377 181 HD1 HIS 18 1HD HIS 18 5.119 5.760 -0.197 182 HD2 HIS 18 2HD HIS 18 5.553 1.845 1.155 183 HE1 HIS 18 1HE HIS 18 5.359 4.308 -2.269 184 H THR 19 H THR 19 6.466 7.798 3.111 185 HA THR 19 HA THR 19 6.281 7.666 6.055 186 HB THR 19 HB THR 19 6.705 10.063 5.993 187 HG1 THR 19 1HG THR 19 5.616 9.804 3.571 188 HG21 THR 19 3HG2 THR 19 8.669 9.729 4.029 189 HG22 THR 19 1HG2 THR 19 8.383 8.104 4.654 190 HG23 THR 19 2HG2 THR 19 8.844 9.404 5.753 191 H VAL 20 H VAL 20 4.242 8.189 3.311 192 HA VAL 20 HA VAL 20 2.021 8.987 3.139 193 HB VAL 20 HB VAL 20 1.718 7.548 5.782 194 HG11 VAL 20 1HG1 VAL 20 -0.162 8.846 4.419 195 HG12 VAL 20 2HG1 VAL 20 -0.506 7.295 5.185 196 HG13 VAL 20 3HG1 VAL 20 -0.159 7.367 3.457 197 HG21 VAL 20 3HG2 VAL 20 1.449 5.487 4.392 198 HG22 VAL 20 1HG2 VAL 20 3.086 6.142 4.329 199 HG23 VAL 20 2HG2 VAL 20 1.978 6.406 2.983 200 H GLU 21 H GLU 21 3.012 11.211 3.714 201 HA GLU 21 HA GLU 21 1.884 12.174 6.314 202 HB2 GLU 21 2HB GLU 21 4.145 13.314 4.647 203 HB3 GLU 21 1HB GLU 21 3.542 14.006 6.154 204 HG2 GLU 21 2HG GLU 21 4.705 11.219 5.866 205 HG3 GLU 21 1HG GLU 21 5.568 12.613 6.519 206 H LYS 22 H LYS 22 0.827 14.270 6.259 207 HA LYS 22 HA LYS 22 -0.898 14.650 4.018 208 HB2 LYS 22 2HB LYS 22 -1.627 16.674 5.132 209 HB3 LYS 22 1HB LYS 22 -1.338 15.447 6.367 210 HG2 LYS 22 2HG LYS 22 0.955 16.406 6.704 211 HG3 LYS 22 1HG LYS 22 0.533 17.702 5.585 212 HD2 LYS 22 2HD LYS 22 -1.473 18.175 7.083 213 HD3 LYS 22 1HD LYS 22 -0.735 17.090 8.260 214 HE2 LYS 22 2HE LYS 22 1.214 18.477 8.447 215 HE3 LYS 22 1HE LYS 22 0.725 19.454 7.064 216 HZ1 LYS 22 3HZ LYS 22 -0.165 19.569 9.811 217 HZ2 LYS 22 1HZ LYS 22 -1.411 19.669 8.665 218 HZ3 LYS 22 2HZ LYS 22 -0.130 20.786 8.627 219 H GLY 23 H GLY 23 2.199 16.127 4.891 220 HA2 GLY 23 2HA GLY 23 2.473 17.072 2.110 221 HA3 GLY 23 1HA GLY 23 2.491 18.326 3.349 222 H GLY 24 H GLY 24 3.774 15.229 4.209 223 HA2 GLY 24 2HA GLY 24 6.371 16.363 4.778 224 HA3 GLY 24 1HA GLY 24 5.958 14.652 4.881 225 HA PRO 25 HA PRO 25 8.559 15.679 1.022 226 HB2 PRO 25 2HB PRO 25 10.930 14.609 1.851 227 HB3 PRO 25 1HB PRO 25 10.488 16.306 2.124 228 HG2 PRO 25 2HG PRO 25 10.348 13.991 3.995 229 HG3 PRO 25 1HG PRO 25 10.883 15.651 4.293 230 HD2 PRO 25 2HD PRO 25 8.408 14.769 5.015 231 HD3 PRO 25 1HD PRO 25 8.718 16.454 4.541 232 H HIS 26 H HIS 26 10.044 13.872 -0.110 233 HA HIS 26 HA HIS 26 8.551 11.305 0.186 234 HB2 HIS 26 2HB HIS 26 10.119 12.457 -2.141 235 HB3 HIS 26 1HB HIS 26 9.393 10.850 -2.134 236 HD1 HIS 26 1HD HIS 26 6.801 10.702 -2.233 237 HD2 HIS 26 2HD HIS 26 8.263 14.604 -2.389 238 HE1 HIS 26 1HE HIS 26 4.870 12.160 -2.978 239 HE2 HIS 26 2HE HIS 26 5.742 14.540 -3.060 240 H LYS 27 H LYS 27 9.684 9.442 0.683 241 HA LYS 27 HA LYS 27 12.619 9.777 1.137 242 HB2 LYS 27 2HB LYS 27 11.006 9.079 3.034 243 HB3 LYS 27 1HB LYS 27 10.921 7.523 2.209 244 HG2 LYS 27 2HG LYS 27 13.400 7.350 2.325 245 HG3 LYS 27 1HG LYS 27 13.444 8.872 3.213 246 HD2 LYS 27 2HD LYS 27 11.955 7.837 4.946 247 HD3 LYS 27 1HD LYS 27 12.108 6.301 4.093 248 HE2 LYS 27 2HE LYS 27 14.529 7.863 4.994 249 HE3 LYS 27 1HE LYS 27 13.726 6.699 6.051 250 HZ1 LYS 27 3HZ LYS 27 14.053 5.502 3.554 251 HZ2 LYS 27 1HZ LYS 27 14.806 5.087 5.017 252 HZ3 LYS 27 2HZ LYS 27 15.544 6.204 3.971 253 H VAL 28 H VAL 28 12.192 6.585 1.298 254 HA VAL 28 HA VAL 28 13.497 6.031 -1.186 255 HB VAL 28 HB VAL 28 11.970 4.211 0.698 256 HG11 VAL 28 1HG1 VAL 28 13.308 2.406 -0.464 257 HG12 VAL 28 2HG1 VAL 28 13.729 3.601 -1.690 258 HG13 VAL 28 3HG1 VAL 28 12.045 3.134 -1.457 259 HG21 VAL 28 3HG2 VAL 28 14.387 3.526 1.232 260 HG22 VAL 28 1HG2 VAL 28 13.881 5.115 1.807 261 HG23 VAL 28 2HG2 VAL 28 14.878 4.977 0.357 262 H GLY 29 H GLY 29 10.093 5.838 -0.195 263 HA2 GLY 29 2HA GLY 29 9.382 5.478 -3.082 264 HA3 GLY 29 1HA GLY 29 8.481 4.687 -1.788 265 HA PRO 30 HA PRO 30 6.876 9.075 -2.857 266 HB2 PRO 30 2HB PRO 30 4.482 8.242 -3.955 267 HB3 PRO 30 1HB PRO 30 5.934 8.628 -4.895 268 HG2 PRO 30 2HG PRO 30 4.872 5.979 -4.065 269 HG3 PRO 30 1HG PRO 30 5.634 6.469 -5.588 270 HD2 PRO 30 2HD PRO 30 6.984 5.075 -3.684 271 HD3 PRO 30 1HD PRO 30 7.789 6.261 -4.737 272 H ASN 31 H ASN 31 5.249 10.112 -1.574 273 HA ASN 31 HA ASN 31 4.376 8.564 0.752 274 HB2 ASN 31 2HB ASN 31 3.627 11.411 0.033 275 HB3 ASN 31 1HB ASN 31 3.607 10.669 1.632 276 HD21 ASN 31 1HD2 ASN 31 6.191 9.296 1.392 277 HD22 ASN 31 2HD2 ASN 31 7.389 10.498 1.400 278 H LEU 32 H LEU 32 2.274 7.851 1.152 279 HA LEU 32 HA LEU 32 0.376 8.077 -1.127 280 HB2 LEU 32 2HB LEU 32 0.458 6.249 1.287 281 HB3 LEU 32 1HB LEU 32 -0.882 6.283 0.142 282 HG LEU 32 HG LEU 32 0.748 5.807 -1.700 283 HD11 LEU 32 1HD1 LEU 32 2.613 5.812 0.654 284 HD12 LEU 32 2HD1 LEU 32 2.844 6.502 -0.951 285 HD13 LEU 32 3HD1 LEU 32 2.952 4.758 -0.718 286 HD21 LEU 32 3HD2 LEU 32 0.141 3.984 0.572 287 HD22 LEU 32 1HD2 LEU 32 1.359 3.426 -0.576 288 HD23 LEU 32 2HD2 LEU 32 -0.264 3.826 -1.138 289 H HIS 33 H HIS 33 -1.569 9.128 -0.935 290 HA HIS 33 HA HIS 33 -2.772 9.767 1.625 291 HB2 HIS 33 2HB HIS 33 -0.932 11.454 1.550 292 HB3 HIS 33 1HB HIS 33 -1.586 12.062 0.030 293 HD1 HIS 33 1HD HIS 33 -2.910 11.375 3.555 294 HD2 HIS 33 2HD HIS 33 -3.379 14.114 0.442 295 HE1 HIS 33 1HE HIS 33 -4.544 13.128 4.379 296 HE2 HIS 33 2HE HIS 33 -4.837 14.798 2.494 297 H GLY 34 H GLY 34 -4.724 9.042 0.802 298 HA2 GLY 34 2HA GLY 34 -6.819 9.504 -0.242 299 HA3 GLY 34 1HA GLY 34 -6.043 10.792 -1.169 300 H ILE 35 H ILE 35 -4.152 8.031 -1.237 301 HA ILE 35 HA ILE 35 -4.418 7.628 -4.035 302 HB ILE 35 HB ILE 35 -2.511 6.880 -2.487 303 HG12 ILE 35 2HG1 ILE 35 -3.527 4.712 -4.338 304 HG13 ILE 35 1HG1 ILE 35 -2.872 6.232 -4.946 305 HG21 ILE 35 1HG2 ILE 35 -4.233 4.409 -2.204 306 HG22 ILE 35 2HG2 ILE 35 -4.149 5.651 -0.956 307 HG23 ILE 35 3HG2 ILE 35 -2.697 4.756 -1.408 308 HD11 ILE 35 3HD1 ILE 35 -1.447 4.167 -3.250 309 HD12 ILE 35 1HD1 ILE 35 -0.800 5.779 -3.561 310 HD13 ILE 35 2HD1 ILE 35 -1.054 4.657 -4.898 311 H PHE 36 H PHE 36 -6.321 6.452 -1.378 312 HA PHE 36 HA PHE 36 -7.419 4.123 -2.639 313 HB2 PHE 36 2HB PHE 36 -8.445 5.959 -0.466 314 HB3 PHE 36 1HB PHE 36 -9.316 4.520 -0.986 315 HD1 PHE 36 1HD PHE 36 -6.271 5.779 0.684 316 HD2 PHE 36 2HD PHE 36 -8.461 2.290 -0.545 317 HE1 PHE 36 1HE PHE 36 -4.834 4.362 2.128 318 HE2 PHE 36 2HE PHE 36 -7.021 0.879 0.894 319 HZ PHE 36 HZ PHE 36 -5.209 1.913 2.228 320 H GLY 37 H GLY 37 -9.017 3.942 -4.157 321 HA2 GLY 37 2HA GLY 37 -10.761 4.567 -5.607 322 HA3 GLY 37 1HA GLY 37 -11.023 5.985 -4.591 323 H ARG 38 H ARG 38 -7.809 5.480 -5.735 324 HA ARG 38 HA ARG 38 -8.240 7.410 -7.960 325 HB2 ARG 38 2HB ARG 38 -6.040 7.612 -5.884 326 HB3 ARG 38 1HB ARG 38 -6.270 8.692 -7.258 327 HG2 ARG 38 2HG ARG 38 -8.379 8.274 -5.126 328 HG3 ARG 38 1HG ARG 38 -7.169 9.551 -5.038 329 HD2 ARG 38 2HD ARG 38 -7.960 10.275 -7.357 330 HD3 ARG 38 1HD ARG 38 -9.327 9.186 -7.128 331 HE ARG 38 HE ARG 38 -8.924 11.099 -4.943 332 HH11 ARG 38 1HH2 ARG 38 -10.401 10.336 -7.964 333 HH12 ARG 38 2HH2 ARG 38 -11.707 11.454 -7.759 334 HH21 ARG 38 1HH1 ARG 38 -10.621 12.564 -4.658 335 HH22 ARG 38 2HH1 ARG 38 -11.832 12.716 -5.886 336 H HIS 39 H HIS 39 -6.348 7.459 -9.464 337 HA HIS 39 HA HIS 39 -5.315 4.721 -9.829 338 HB2 HIS 39 2HB HIS 39 -5.167 7.196 -11.574 339 HB3 HIS 39 1HB HIS 39 -4.513 5.621 -12.024 340 HD1 HIS 39 1HD HIS 39 -7.743 7.465 -11.548 341 HD2 HIS 39 2HD HIS 39 -6.483 3.642 -12.641 342 HE1 HIS 39 1HE HIS 39 -9.782 6.273 -12.469 343 HE2 HIS 39 2HE HIS 39 -9.025 3.945 -13.136 344 H SER 40 H SER 40 -2.982 4.429 -10.357 345 HA SER 40 HA SER 40 -1.294 5.572 -8.355 346 HB2 SER 40 2HB SER 40 -0.893 3.375 -9.492 347 HB3 SER 40 1HB SER 40 -0.448 4.253 -10.951 348 HG SER 40 HG SER 40 1.020 5.398 -9.301 349 H GLY 41 H GLY 41 0.368 7.140 -8.546 350 HA2 GLY 41 2HA GLY 41 1.674 8.765 -9.772 351 HA3 GLY 41 1HA GLY 41 0.487 8.689 -11.071 352 H GLN 42 H GLN 42 -1.497 8.781 -8.559 353 HA GLN 42 HA GLN 42 -2.232 11.516 -8.899 354 HB2 GLN 42 2HB GLN 42 -3.749 9.727 -8.017 355 HB3 GLN 42 1HB GLN 42 -2.840 9.758 -6.505 356 HG2 GLN 42 2HG GLN 42 -3.345 12.213 -6.324 357 HG3 GLN 42 1HG GLN 42 -4.387 12.055 -7.738 358 HE21 GLN 42 1HE2 GLN 42 -6.496 12.139 -6.924 359 HE22 GLN 42 2HE2 GLN 42 -7.067 11.200 -5.631 360 H ALA 43 H ALA 43 -0.197 9.918 -6.469 361 HA ALA 43 HA ALA 43 0.116 12.161 -4.735 362 HB1 ALA 43 1HB ALA 43 2.385 10.995 -4.223 363 HB2 ALA 43 2HB ALA 43 1.815 9.742 -5.329 364 HB3 ALA 43 3HB ALA 43 0.898 10.112 -3.869 365 H GLU 44 H GLU 44 1.636 11.319 -7.786 366 HA GLU 44 HA GLU 44 3.229 12.466 -9.081 367 HB2 GLU 44 2HB GLU 44 1.892 14.805 -7.682 368 HB3 GLU 44 1HB GLU 44 2.915 14.931 -9.116 369 HG2 GLU 44 2HG GLU 44 1.351 13.428 -10.333 370 HG3 GLU 44 1HG GLU 44 0.307 13.395 -8.911 371 H GLY 45 H GLY 45 5.025 14.306 -8.827 372 HA2 GLY 45 2HA GLY 45 6.833 15.189 -7.571 373 HA3 GLY 45 1HA GLY 45 6.065 14.580 -6.102 374 H TYR 46 H TYR 46 8.360 13.899 -5.634 375 HA TYR 46 HA TYR 46 10.145 12.342 -5.735 376 HB2 TYR 46 2HB TYR 46 8.237 11.286 -4.412 377 HB3 TYR 46 1HB TYR 46 7.826 10.399 -5.880 378 HD1 TYR 46 1HD TYR 46 10.912 11.237 -3.898 379 HD2 TYR 46 2HD TYR 46 8.714 8.249 -6.068 380 HE1 TYR 46 1HE TYR 46 12.667 9.566 -3.377 381 HE2 TYR 46 2HE TYR 46 10.474 6.579 -5.549 382 HH TYR 46 HH TYR 46 13.269 7.003 -4.885 383 H SER 47 H SER 47 9.083 9.621 -7.089 384 HA SER 47 HA SER 47 9.264 10.344 -9.918 385 HB2 SER 47 2HB SER 47 11.648 10.366 -9.173 386 HB3 SER 47 1HB SER 47 11.472 8.692 -8.655 387 HG SER 47 HG SER 47 11.747 9.760 -11.172 388 H TYR 48 H TYR 48 8.556 8.634 -11.250 389 HA TYR 48 HA TYR 48 7.612 6.202 -9.784 390 HB2 TYR 48 2HB TYR 48 6.425 7.724 -12.109 391 HB3 TYR 48 1HB TYR 48 5.948 6.066 -11.739 392 HD1 TYR 48 2HD TYR 48 6.017 9.545 -10.459 393 HD2 TYR 48 1HD TYR 48 4.606 5.536 -9.812 394 HE1 TYR 48 2HE TYR 48 4.489 10.367 -8.688 395 HE2 TYR 48 1HE TYR 48 3.080 6.361 -8.040 396 HH TYR 48 HH TYR 48 2.345 8.120 -6.923 397 H THR 49 H THR 49 8.186 4.214 -10.618 398 HA THR 49 HA THR 49 10.330 4.184 -12.603 399 HB THR 49 HB THR 49 10.469 1.812 -12.125 400 HG1 THR 49 1HG THR 49 7.855 2.196 -11.545 401 HG21 THR 49 3HG2 THR 49 9.943 2.276 -9.397 402 HG22 THR 49 1HG2 THR 49 10.411 3.841 -10.063 403 HG23 THR 49 2HG2 THR 49 11.488 2.454 -10.226 404 H ASP 50 H ASP 50 10.225 2.725 -14.511 405 HA ASP 50 HA ASP 50 8.052 3.333 -16.221 406 HB2 ASP 50 2HB ASP 50 10.090 1.110 -16.357 407 HB3 ASP 50 1HB ASP 50 8.980 1.500 -17.669 408 H ALA 51 H ALA 51 8.562 0.598 -14.052 409 HA ALA 51 HA ALA 51 6.671 -1.219 -15.029 410 HB1 ALA 51 1HB ALA 51 8.239 -1.138 -12.825 411 HB2 ALA 51 2HB ALA 51 6.928 -2.299 -13.033 412 HB3 ALA 51 3HB ALA 51 6.666 -0.836 -12.088 413 H ASN 52 H ASN 52 5.832 0.811 -12.195 414 HA ASN 52 HA ASN 52 3.047 0.530 -12.495 415 HB2 ASN 52 2HB ASN 52 4.157 1.495 -10.485 416 HB3 ASN 52 1HB ASN 52 4.482 2.968 -11.402 417 HD21 ASN 52 1HD2 ASN 52 1.805 0.953 -10.104 418 HD22 ASN 52 2HD2 ASN 52 0.647 2.194 -10.146 419 H ILE 53 H ILE 53 5.170 3.038 -13.915 420 HA ILE 53 HA ILE 53 3.101 4.611 -15.056 421 HB ILE 53 HB ILE 53 5.906 4.085 -16.075 422 HG12 ILE 53 2HG1 ILE 53 4.812 6.368 -14.402 423 HG13 ILE 53 1HG1 ILE 53 5.701 4.997 -13.739 424 HG21 ILE 53 1HG2 ILE 53 4.641 5.046 -17.855 425 HG22 ILE 53 2HG2 ILE 53 5.533 6.377 -17.118 426 HG23 ILE 53 3HG2 ILE 53 3.821 6.158 -16.760 427 HD11 ILE 53 3HD1 ILE 53 7.058 6.235 -16.022 428 HD12 ILE 53 1HD1 ILE 53 7.693 5.824 -14.429 429 HD13 ILE 53 2HD1 ILE 53 6.837 7.347 -14.671 430 H LYS 54 H LYS 54 4.998 1.948 -16.512 431 HA LYS 54 HA LYS 54 3.585 1.890 -18.988 432 HB2 LYS 54 2HB LYS 54 5.748 0.701 -18.537 433 HB3 LYS 54 1HB LYS 54 4.859 -0.460 -17.549 434 HG2 LYS 54 2HG LYS 54 3.443 -1.015 -19.514 435 HG3 LYS 54 1HG LYS 54 4.400 0.094 -20.496 436 HD2 LYS 54 2HD LYS 54 6.443 -1.240 -19.902 437 HD3 LYS 54 1HD LYS 54 5.391 -2.402 -19.092 438 HE2 LYS 54 2HE LYS 54 5.273 -3.425 -21.113 439 HE3 LYS 54 1HE LYS 54 4.165 -2.121 -21.545 440 HZ1 LYS 54 3HZ LYS 54 5.626 -1.409 -23.024 441 HZ2 LYS 54 1HZ LYS 54 6.686 -2.670 -22.619 442 HZ3 LYS 54 2HZ LYS 54 6.789 -1.181 -21.806 443 H LYS 55 H LYS 55 2.997 0.311 -15.878 444 HA LYS 55 HA LYS 55 0.341 -0.596 -16.923 445 HB2 LYS 55 2HB LYS 55 1.841 -2.470 -16.307 446 HB3 LYS 55 1HB LYS 55 2.015 -1.789 -14.689 447 HG2 LYS 55 2HG LYS 55 -0.419 -2.012 -14.331 448 HG3 LYS 55 1HG LYS 55 -0.588 -2.713 -15.943 449 HD2 LYS 55 2HD LYS 55 1.013 -4.522 -15.255 450 HD3 LYS 55 1HD LYS 55 0.982 -3.863 -13.619 451 HE2 LYS 55 2HE LYS 55 -1.468 -4.200 -13.535 452 HE3 LYS 55 1HE LYS 55 -1.423 -4.884 -15.160 453 HZ1 LYS 55 3HZ LYS 55 0.355 -6.432 -14.099 454 HZ2 LYS 55 1HZ LYS 55 -1.294 -6.756 -13.876 455 HZ3 LYS 55 2HZ LYS 55 -0.404 -5.999 -12.642 456 H ASN 56 H ASN 56 -1.148 0.858 -16.179 457 HA ASN 56 HA ASN 56 -0.736 2.040 -13.483 458 HB2 ASN 56 2HB ASN 56 -1.268 3.526 -15.460 459 HB3 ASN 56 1HB ASN 56 -2.859 2.763 -15.521 460 HD21 ASN 56 1HD2 ASN 56 -0.700 4.287 -13.053 461 HD22 ASN 56 2HD2 ASN 56 -1.955 5.074 -12.227 462 H VAL 57 H VAL 57 -2.129 1.612 -11.806 463 HA VAL 57 HA VAL 57 -4.427 -0.211 -12.376 464 HB VAL 57 HB VAL 57 -2.522 -1.485 -11.446 465 HG11 VAL 57 1HG1 VAL 57 -2.794 -0.017 -8.854 466 HG12 VAL 57 2HG1 VAL 57 -1.843 0.739 -10.134 467 HG13 VAL 57 3HG1 VAL 57 -1.394 -0.855 -9.528 468 HG21 VAL 57 3HG2 VAL 57 -3.770 -2.617 -9.774 469 HG22 VAL 57 1HG2 VAL 57 -4.998 -1.889 -10.810 470 HG23 VAL 57 2HG2 VAL 57 -4.588 -1.139 -9.268 471 H LEU 58 H LEU 58 -6.252 0.099 -11.048 472 HA LEU 58 HA LEU 58 -6.472 2.747 -9.830 473 HB2 LEU 58 2HB LEU 58 -8.372 1.757 -11.062 474 HB3 LEU 58 1HB LEU 58 -8.432 0.428 -9.906 475 HG LEU 58 HG LEU 58 -8.853 2.083 -8.083 476 HD11 LEU 58 1HD1 LEU 58 -8.166 4.186 -8.604 477 HD12 LEU 58 2HD1 LEU 58 -9.762 4.336 -9.340 478 HD13 LEU 58 3HD1 LEU 58 -8.366 3.926 -10.337 479 HD21 LEU 58 3HD2 LEU 58 -10.721 1.999 -10.461 480 HD22 LEU 58 1HD2 LEU 58 -11.174 2.741 -8.926 481 HD23 LEU 58 2HD2 LEU 58 -10.788 1.021 -8.993 482 H TRP 59 H TRP 59 -6.246 3.190 -7.667 483 HA TRP 59 HA TRP 59 -5.594 0.900 -5.908 484 HB2 TRP 59 2HB TRP 59 -5.216 3.885 -5.634 485 HB3 TRP 59 1HB TRP 59 -4.905 2.761 -4.310 486 HD1 TRP 59 HD TRP 59 -3.254 4.297 -7.196 487 HE1 TRP 59 1HE TRP 59 -1.061 3.067 -7.772 488 HE3 TRP 59 3HE TRP 59 -3.847 0.085 -4.385 489 HZ2 TRP 59 2HZ TRP 59 0.259 0.614 -7.127 490 HZ3 TRP 59 3HZ TRP 59 -2.110 -1.677 -4.378 491 HH2 TRP 59 HH TRP 59 -0.057 -1.419 -5.744 492 H ASP 60 H ASP 60 -7.036 0.126 -4.541 493 HA ASP 60 HA ASP 60 -9.029 1.858 -3.243 494 HB2 ASP 60 2HB ASP 60 -10.055 1.052 -5.431 495 HB3 ASP 60 1HB ASP 60 -9.929 -0.588 -4.793 496 H GLU 61 H GLU 61 -10.218 0.498 -1.529 497 HA GLU 61 HA GLU 61 -8.363 -0.892 0.081 498 HB2 GLU 61 2HB GLU 61 -11.383 -1.179 0.003 499 HB3 GLU 61 1HB GLU 61 -10.346 -1.738 1.318 500 HG2 GLU 61 2HG GLU 61 -9.541 0.587 1.646 501 HG3 GLU 61 1HG GLU 61 -10.635 1.130 0.372 502 H ASN 62 H ASN 62 -10.663 -2.135 -2.322 503 HA ASN 62 HA ASN 62 -10.099 -4.920 -1.821 504 HB2 ASN 62 2HB ASN 62 -12.141 -4.187 -2.983 505 HB3 ASN 62 1HB ASN 62 -11.165 -3.561 -4.313 506 HD21 ASN 62 1HD2 ASN 62 -10.226 -5.085 -5.800 507 HD22 ASN 62 2HD2 ASN 62 -10.617 -6.739 -5.772 508 H ASN 63 H ASN 63 -8.936 -2.636 -4.310 509 HA ASN 63 HA ASN 63 -7.235 -4.473 -5.652 510 HB2 ASN 63 2HB ASN 63 -7.939 -2.186 -6.458 511 HB3 ASN 63 1HB ASN 63 -6.734 -1.507 -5.361 512 HD21 ASN 63 1HD2 ASN 63 -4.743 -1.159 -6.348 513 HD22 ASN 63 2HD2 ASN 63 -4.131 -2.047 -7.658 514 H MET 64 H MET 64 -6.563 -2.324 -2.891 515 HA MET 64 HA MET 64 -3.761 -2.812 -2.777 516 HB2 MET 64 2HB MET 64 -5.745 -2.161 -0.583 517 HB3 MET 64 1HB MET 64 -4.000 -2.218 -0.330 518 HG2 MET 64 2HG MET 64 -3.747 -0.548 -2.193 519 HG3 MET 64 1HG MET 64 -5.502 -0.401 -2.229 520 HE1 MET 64 3HE MET 64 -4.424 1.775 -2.305 521 HE2 MET 64 1HE MET 64 -3.544 2.587 -1.000 522 HE3 MET 64 2HE MET 64 -5.301 2.689 -1.079 523 H SER 65 H SER 65 -6.498 -4.654 -1.483 524 HA SER 65 HA SER 65 -5.004 -6.473 0.118 525 HB2 SER 65 2HB SER 65 -7.507 -7.069 -1.485 526 HB3 SER 65 1HB SER 65 -6.920 -7.975 -0.094 527 HG SER 65 HG SER 65 -7.576 -6.416 1.206 528 H GLU 66 H GLU 66 -5.854 -6.577 -3.344 529 HA GLU 66 HA GLU 66 -4.596 -9.121 -3.839 530 HB2 GLU 66 2HB GLU 66 -5.224 -6.804 -5.695 531 HB3 GLU 66 1HB GLU 66 -4.696 -8.397 -6.231 532 HG2 GLU 66 2HG GLU 66 -6.660 -9.411 -5.097 533 HG3 GLU 66 1HG GLU 66 -7.205 -7.797 -4.639 534 H HIS 67 H HIS 67 -3.484 -5.779 -3.859 535 HA HIS 67 HA HIS 67 -0.986 -6.114 -5.152 536 HB2 HIS 67 2HB HIS 67 -2.027 -3.934 -4.508 537 HB3 HIS 67 1HB HIS 67 -1.631 -4.275 -2.827 538 HD1 HIS 67 1HD HIS 67 0.289 -4.241 -6.138 539 HD2 HIS 67 2HD HIS 67 0.770 -3.108 -2.157 540 HE1 HIS 67 1HE HIS 67 2.584 -3.178 -5.963 541 HE2 HIS 67 2HE HIS 67 2.878 -2.477 -3.549 542 H LEU 68 H LEU 68 -1.838 -6.443 -1.712 543 HA LEU 68 HA LEU 68 0.818 -7.117 -0.848 544 HB2 LEU 68 2HB LEU 68 -1.852 -7.786 0.426 545 HB3 LEU 68 1HB LEU 68 -0.283 -7.829 1.227 546 HG LEU 68 HG LEU 68 -1.576 -5.373 0.019 547 HD11 LEU 68 1HD1 LEU 68 -1.191 -6.332 2.857 548 HD12 LEU 68 2HD1 LEU 68 -2.698 -5.877 2.062 549 HD13 LEU 68 3HD1 LEU 68 -1.507 -4.642 2.466 550 HD21 LEU 68 3HD2 LEU 68 1.135 -5.972 1.094 551 HD22 LEU 68 1HD2 LEU 68 0.429 -4.413 1.506 552 HD23 LEU 68 2HD2 LEU 68 0.659 -4.857 -0.185 553 H THR 69 H THR 69 -1.842 -9.008 -2.155 554 HA THR 69 HA THR 69 -1.042 -11.584 -1.310 555 HB THR 69 HB THR 69 -2.240 -10.902 -4.005 556 HG1 THR 69 1HG THR 69 -4.092 -10.641 -3.002 557 HG21 THR 69 3HG2 THR 69 -3.346 -13.173 -3.543 558 HG22 THR 69 1HG2 THR 69 -2.134 -13.376 -2.277 559 HG23 THR 69 2HG2 THR 69 -1.633 -13.197 -3.959 560 H ASN 70 H ASN 70 0.132 -9.654 -4.058 561 HA ASN 70 HA ASN 70 2.600 -11.203 -4.107 562 HB2 ASN 70 2HB ASN 70 0.512 -11.553 -6.258 563 HB3 ASN 70 1HB ASN 70 2.225 -11.787 -6.604 564 HD21 ASN 70 1HD2 ASN 70 3.359 -13.301 -4.876 565 HD22 ASN 70 2HD2 ASN 70 2.474 -14.671 -4.408 566 HA PRO 71 HA PRO 71 2.569 -6.660 -5.416 567 HB2 PRO 71 2HB PRO 71 5.116 -6.792 -3.924 568 HB3 PRO 71 1HB PRO 71 3.786 -5.628 -3.789 569 HG2 PRO 71 2HG PRO 71 4.326 -7.599 -1.976 570 HG3 PRO 71 1HG PRO 71 2.752 -6.818 -2.181 571 HD2 PRO 71 2HD PRO 71 3.560 -9.551 -2.874 572 HD3 PRO 71 1HD PRO 71 1.935 -8.866 -2.731 573 H ALA 72 H ALA 72 4.956 -9.263 -5.559 574 HA ALA 72 HA ALA 72 6.859 -7.974 -7.251 575 HB1 ALA 72 1HB ALA 72 7.865 -9.947 -6.839 576 HB2 ALA 72 2HB ALA 72 6.767 -10.697 -7.998 577 HB3 ALA 72 3HB ALA 72 6.344 -10.650 -6.286 578 H LYS 73 H LYS 73 4.371 -10.360 -8.239 579 HA LYS 73 HA LYS 73 4.603 -9.810 -11.029 580 HB2 LYS 73 2HB LYS 73 2.249 -10.874 -9.439 581 HB3 LYS 73 1HB LYS 73 2.367 -10.909 -11.198 582 HG2 LYS 73 2HG LYS 73 4.479 -12.227 -10.988 583 HG3 LYS 73 1HG LYS 73 4.237 -12.274 -9.241 584 HD2 LYS 73 2HD LYS 73 2.018 -13.360 -9.621 585 HD3 LYS 73 1HD LYS 73 2.377 -13.411 -11.347 586 HE2 LYS 73 2HE LYS 73 4.015 -14.729 -9.162 587 HE3 LYS 73 1HE LYS 73 2.943 -15.559 -10.289 588 HZ1 LYS 73 3HZ LYS 73 5.218 -13.875 -11.167 589 HZ2 LYS 73 1HZ LYS 73 4.305 -14.955 -12.102 590 HZ3 LYS 73 2HZ LYS 73 5.354 -15.548 -10.904 591 H TYR 74 H TYR 74 2.802 -8.266 -8.459 592 HA TYR 74 HA TYR 74 0.907 -6.800 -9.970 593 HB2 TYR 74 2HB TYR 74 1.102 -7.022 -7.440 594 HB3 TYR 74 1HB TYR 74 2.359 -5.793 -7.515 595 HD1 TYR 74 1HD TYR 74 -1.239 -6.476 -7.947 596 HD2 TYR 74 2HD TYR 74 1.827 -3.489 -8.070 597 HE1 TYR 74 1HE TYR 74 -2.966 -4.695 -7.913 598 HE2 TYR 74 2HE TYR 74 0.117 -1.710 -8.039 599 HH TYR 74 HH TYR 74 -2.061 -1.295 -7.602 600 H ILE 75 H ILE 75 4.226 -5.816 -8.973 601 HA ILE 75 HA ILE 75 4.277 -4.015 -11.350 602 HB ILE 75 HB ILE 75 5.515 -2.338 -9.844 603 HG12 ILE 75 2HG1 ILE 75 3.998 -3.845 -7.699 604 HG13 ILE 75 1HG1 ILE 75 5.735 -3.966 -7.945 605 HG21 ILE 75 1HG2 ILE 75 2.622 -2.864 -10.084 606 HG22 ILE 75 2HG2 ILE 75 3.539 -1.409 -10.458 607 HG23 ILE 75 3HG2 ILE 75 3.080 -1.754 -8.793 608 HD11 ILE 75 3HD1 ILE 75 6.144 -1.890 -7.097 609 HD12 ILE 75 1HD1 ILE 75 4.608 -2.160 -6.275 610 HD13 ILE 75 2HD1 ILE 75 4.657 -1.214 -7.762 611 HA PRO 76 HA PRO 76 8.107 -6.624 -10.844 612 HB2 PRO 76 2HB PRO 76 7.871 -6.890 -13.759 613 HB3 PRO 76 1HB PRO 76 7.953 -8.155 -12.522 614 HG2 PRO 76 2HG PRO 76 5.710 -7.591 -13.924 615 HG3 PRO 76 1HG PRO 76 5.696 -8.250 -12.281 616 HD2 PRO 76 2HD PRO 76 5.166 -5.449 -13.189 617 HD3 PRO 76 1HD PRO 76 4.447 -6.352 -11.838 618 H GLY 77 H GLY 77 10.177 -5.805 -11.120 619 HA2 GLY 77 2HA GLY 77 11.894 -4.630 -12.343 620 HA3 GLY 77 1HA GLY 77 10.638 -3.774 -13.228 621 H THR 78 H THR 78 9.520 -3.577 -10.184 622 HA THR 78 HA THR 78 10.657 -0.875 -9.856 623 HB THR 78 HB THR 78 8.954 -0.587 -8.129 624 HG1 THR 78 1HG THR 78 9.047 -3.305 -8.191 625 HG21 THR 78 3HG2 THR 78 8.418 -0.517 -10.632 626 HG22 THR 78 1HG2 THR 78 7.051 -0.702 -9.537 627 HG23 THR 78 2HG2 THR 78 7.684 -2.102 -10.406 628 H LYS 79 H LYS 79 11.369 -0.180 -7.658 629 HA LYS 79 HA LYS 79 13.283 -2.131 -6.573 630 HB2 LYS 79 2HB LYS 79 12.711 0.740 -5.771 631 HB3 LYS 79 1HB LYS 79 14.083 -0.227 -5.229 632 HG2 LYS 79 2HG LYS 79 14.768 -0.484 -7.634 633 HG3 LYS 79 1HG LYS 79 13.488 0.651 -8.068 634 HD2 LYS 79 2HD LYS 79 15.749 1.253 -6.138 635 HD3 LYS 79 1HD LYS 79 15.698 1.773 -7.821 636 HE2 LYS 79 2HE LYS 79 13.261 2.640 -6.957 637 HE3 LYS 79 1HE LYS 79 14.211 2.809 -5.481 638 HZ1 LYS 79 3HZ LYS 79 15.432 3.746 -7.957 639 HZ2 LYS 79 1HZ LYS 79 15.522 4.391 -6.391 640 HZ3 LYS 79 2HZ LYS 79 14.142 4.668 -7.343 641 H MET 80 H MET 80 10.080 -1.629 -6.068 642 HA MET 80 HA MET 80 10.070 -1.677 -3.141 643 HB2 MET 80 2HB MET 80 8.224 -0.595 -4.333 644 HB3 MET 80 1HB MET 80 7.842 -2.110 -5.153 645 HG2 MET 80 2HG MET 80 7.179 -3.160 -3.115 646 HG3 MET 80 1HG MET 80 7.871 -1.865 -2.139 647 HE1 MET 80 3HE MET 80 4.476 -3.195 -3.443 648 HE2 MET 80 1HE MET 80 3.840 -2.202 -2.124 649 HE3 MET 80 2HE MET 80 5.271 -3.193 -1.871 650 H ALA 81 H ALA 81 10.201 -3.478 -1.913 651 HA ALA 81 HA ALA 81 9.553 -6.108 -3.174 652 HB1 ALA 81 1HB ALA 81 11.454 -6.976 -1.621 653 HB2 ALA 81 2HB ALA 81 11.999 -5.299 -1.617 654 HB3 ALA 81 3HB ALA 81 11.902 -6.190 -3.136 655 H PHE 82 H PHE 82 7.519 -6.001 -2.082 656 HA PHE 82 HA PHE 82 7.635 -6.057 0.896 657 HB2 PHE 82 2HB PHE 82 6.058 -4.455 -0.137 658 HB3 PHE 82 1HB PHE 82 5.258 -5.783 -0.971 659 HD1 PHE 82 1HD PHE 82 5.879 -4.201 2.309 660 HD2 PHE 82 2HD PHE 82 3.833 -7.345 0.221 661 HE1 PHE 82 1HE PHE 82 4.447 -4.593 4.298 662 HE2 PHE 82 2HE PHE 82 2.404 -7.736 2.203 663 HZ PHE 82 HZ PHE 82 2.705 -6.362 4.240 664 H GLY 83 H GLY 83 7.272 -7.963 1.955 665 HA2 GLY 83 2HA GLY 83 7.132 -10.431 0.482 666 HA3 GLY 83 1HA GLY 83 6.959 -10.275 2.230 667 H GLY 84 H GLY 84 5.364 -11.794 0.114 668 HA2 GLY 84 2HA GLY 84 2.746 -10.521 0.097 669 HA3 GLY 84 1HA GLY 84 3.096 -12.165 -0.439 670 H LEU 85 H LEU 85 0.952 -11.073 1.402 671 HA LEU 85 HA LEU 85 1.669 -12.455 3.938 672 HB2 LEU 85 2HB LEU 85 -0.820 -10.856 3.278 673 HB3 LEU 85 1HB LEU 85 -0.292 -11.380 4.878 674 HG LEU 85 HG LEU 85 1.178 -9.450 3.061 675 HD11 LEU 85 1HD1 LEU 85 -0.988 -8.829 4.468 676 HD12 LEU 85 2HD1 LEU 85 0.393 -7.733 4.401 677 HD13 LEU 85 3HD1 LEU 85 0.169 -8.787 5.799 678 HD21 LEU 85 3HD2 LEU 85 1.864 -10.772 5.680 679 HD22 LEU 85 1HD2 LEU 85 2.504 -9.171 5.302 680 HD23 LEU 85 2HD2 LEU 85 2.881 -10.541 4.256 681 H LYS 86 H LYS 86 0.757 -14.414 4.467 682 HA LYS 86 HA LYS 86 -1.011 -15.656 2.440 683 HB2 LYS 86 2HB LYS 86 0.364 -16.839 4.871 684 HB3 LYS 86 1HB LYS 86 -0.547 -17.753 3.669 685 HG2 LYS 86 2HG LYS 86 1.025 -16.841 1.913 686 HG3 LYS 86 1HG LYS 86 2.002 -16.177 3.224 687 HD2 LYS 86 2HD LYS 86 1.275 -19.107 2.929 688 HD3 LYS 86 1HD LYS 86 2.823 -18.404 2.461 689 HE2 LYS 86 2HE LYS 86 2.799 -17.480 4.937 690 HE3 LYS 86 1HE LYS 86 1.684 -18.819 5.203 691 HZ1 LYS 86 3HZ LYS 86 3.676 -19.931 3.735 692 HZ2 LYS 86 1HZ LYS 86 3.506 -20.056 5.418 693 HZ3 LYS 86 2HZ LYS 86 4.516 -18.862 4.754 694 H LYS 87 H LYS 87 -1.373 -13.931 5.299 695 HA LYS 87 HA LYS 87 -3.894 -15.377 5.982 696 HB2 LYS 87 2HB LYS 87 -2.120 -15.083 7.778 697 HB3 LYS 87 1HB LYS 87 -2.443 -13.351 7.695 698 HG2 LYS 87 2HG LYS 87 -4.823 -13.774 8.216 699 HG3 LYS 87 1HG LYS 87 -4.486 -15.502 8.327 700 HD2 LYS 87 2HD LYS 87 -2.791 -14.970 10.120 701 HD3 LYS 87 1HD LYS 87 -3.375 -13.307 10.094 702 HE2 LYS 87 2HE LYS 87 -5.728 -14.680 10.299 703 HE3 LYS 87 1HE LYS 87 -4.642 -15.730 11.210 704 HZ1 LYS 87 3HZ LYS 87 -4.820 -12.804 11.645 705 HZ2 LYS 87 1HZ LYS 87 -4.033 -13.949 12.620 706 HZ3 LYS 87 2HZ LYS 87 -5.730 -13.934 12.529 707 H GLU 88 H GLU 88 -5.697 -14.405 5.234 708 HA GLU 88 HA GLU 88 -5.686 -11.754 4.107 709 HB2 GLU 88 2HB GLU 88 -7.979 -13.576 4.888 710 HB3 GLU 88 1HB GLU 88 -8.158 -12.088 3.956 711 HG2 GLU 88 2HG GLU 88 -6.614 -12.999 2.239 712 HG3 GLU 88 1HG GLU 88 -6.509 -14.505 3.154 713 H LYS 89 H LYS 89 -6.624 -13.034 7.272 714 HA LYS 89 HA LYS 89 -8.099 -10.810 8.223 715 HB2 LYS 89 2HB LYS 89 -7.789 -13.028 9.395 716 HB3 LYS 89 1HB LYS 89 -6.184 -12.480 9.872 717 HG2 LYS 89 2HG LYS 89 -7.204 -10.505 10.978 718 HG3 LYS 89 1HG LYS 89 -8.805 -11.114 10.554 719 HD2 LYS 89 2HD LYS 89 -8.272 -13.218 11.814 720 HD3 LYS 89 1HD LYS 89 -6.766 -12.466 12.345 721 HE2 LYS 89 2HE LYS 89 -7.890 -10.830 13.618 722 HE3 LYS 89 1HE LYS 89 -9.415 -11.091 12.772 723 HZ1 LYS 89 3HZ LYS 89 -8.184 -12.652 14.914 724 HZ2 LYS 89 1HZ LYS 89 -9.083 -13.495 13.750 725 HZ3 LYS 89 2HZ LYS 89 -9.817 -12.261 14.658 726 H ASP 90 H ASP 90 -4.613 -11.469 8.733 727 HA ASP 90 HA ASP 90 -4.048 -8.926 9.897 728 HB2 ASP 90 2HB ASP 90 -2.277 -10.871 8.394 729 HB3 ASP 90 1HB ASP 90 -1.673 -9.453 9.245 730 H ARG 91 H ARG 91 -4.001 -10.059 6.541 731 HA ARG 91 HA ARG 91 -2.805 -7.780 5.347 732 HB2 ARG 91 2HB ARG 91 -3.311 -9.952 4.192 733 HB3 ARG 91 1HB ARG 91 -5.016 -9.495 4.175 734 HG2 ARG 91 2HG ARG 91 -4.387 -7.410 2.936 735 HG3 ARG 91 1HG ARG 91 -2.732 -8.013 2.849 736 HD2 ARG 91 2HD ARG 91 -5.171 -9.430 1.739 737 HD3 ARG 91 1HD ARG 91 -3.979 -8.548 0.787 738 HE ARG 91 HE ARG 91 -2.497 -10.421 2.226 739 HH11 ARG 91 1HH2 ARG 91 -5.162 -10.401 0.042 740 HH12 ARG 91 2HH2 ARG 91 -4.797 -11.956 -0.628 741 HH21 ARG 91 1HH1 ARG 91 -2.005 -12.453 1.367 742 HH22 ARG 91 2HH1 ARG 91 -3.009 -13.118 0.123 743 H ASN 92 H ASN 92 -6.219 -8.431 6.145 744 HA ASN 92 HA ASN 92 -7.304 -6.087 4.963 745 HB2 ASN 92 2HB ASN 92 -8.195 -7.736 7.337 746 HB3 ASN 92 1HB ASN 92 -9.145 -6.415 6.667 747 HD21 ASN 92 1HD2 ASN 92 -10.355 -8.880 6.542 748 HD22 ASN 92 2HD2 ASN 92 -10.318 -9.496 4.962 749 H ASP 93 H ASP 93 -5.912 -6.626 8.193 750 HA ASP 93 HA ASP 93 -6.632 -4.107 9.296 751 HB2 ASP 93 2HB ASP 93 -4.249 -5.891 9.866 752 HB3 ASP 93 1HB ASP 93 -4.750 -4.532 10.869 753 H LEU 94 H LEU 94 -3.823 -5.096 7.348 754 HA LEU 94 HA LEU 94 -2.314 -2.712 7.655 755 HB2 LEU 94 2HB LEU 94 -1.436 -4.774 6.592 756 HB3 LEU 94 1HB LEU 94 -2.487 -4.490 5.206 757 HG LEU 94 HG LEU 94 -1.379 -2.315 4.810 758 HD11 LEU 94 1HD1 LEU 94 0.919 -2.197 6.154 759 HD12 LEU 94 2HD1 LEU 94 -0.013 -3.092 7.354 760 HD13 LEU 94 3HD1 LEU 94 -0.564 -1.506 6.813 761 HD21 LEU 94 3HD2 LEU 94 -0.303 -4.887 4.394 762 HD22 LEU 94 1HD2 LEU 94 1.048 -3.890 4.929 763 HD23 LEU 94 2HD2 LEU 94 0.105 -3.412 3.519 764 H ILE 95 H ILE 95 -4.811 -3.521 5.216 765 HA ILE 95 HA ILE 95 -4.597 -1.008 3.831 766 HB ILE 95 HB ILE 95 -7.033 -2.789 4.051 767 HG12 ILE 95 2HG1 ILE 95 -4.781 -2.861 2.016 768 HG13 ILE 95 1HG1 ILE 95 -4.957 -4.010 3.344 769 HG21 ILE 95 1HG2 ILE 95 -6.777 -0.303 2.901 770 HG22 ILE 95 2HG2 ILE 95 -7.947 -1.523 2.396 771 HG23 ILE 95 3HG2 ILE 95 -6.409 -1.370 1.545 772 HD11 ILE 95 3HD1 ILE 95 -7.412 -4.251 2.337 773 HD12 ILE 95 1HD1 ILE 95 -6.062 -5.174 1.678 774 HD13 ILE 95 2HD1 ILE 95 -6.607 -3.705 0.868 775 H THR 96 H THR 96 -6.621 -2.145 6.496 776 HA THR 96 HA THR 96 -8.294 0.116 6.764 777 HB THR 96 HB THR 96 -7.240 -1.604 9.023 778 HG1 THR 96 1HG THR 96 -8.672 -3.087 8.426 779 HG21 THR 96 3HG2 THR 96 -8.663 -0.393 10.270 780 HG22 THR 96 1HG2 THR 96 -9.992 -0.937 9.246 781 HG23 THR 96 2HG2 THR 96 -9.127 0.551 8.854 782 H TYR 97 H TYR 97 -5.038 -0.512 8.077 783 HA TYR 97 HA TYR 97 -4.891 1.754 9.790 784 HB2 TYR 97 2HB TYR 97 -3.213 -0.098 9.726 785 HB3 TYR 97 1HB TYR 97 -2.628 0.528 8.185 786 HD1 TYR 97 2HD TYR 97 -3.069 1.348 11.785 787 HD2 TYR 97 1HD TYR 97 -1.187 2.425 8.079 788 HE1 TYR 97 2HE TYR 97 -1.637 2.977 12.988 789 HE2 TYR 97 1HE TYR 97 0.244 4.057 9.279 790 HH TYR 97 HH TYR 97 0.984 4.070 12.173 791 H LEU 98 H LEU 98 -3.792 1.438 6.386 792 HA LEU 98 HA LEU 98 -3.170 4.238 6.124 793 HB2 LEU 98 2HB LEU 98 -3.845 2.149 4.029 794 HB3 LEU 98 1HB LEU 98 -3.236 3.763 3.662 795 HG LEU 98 HG LEU 98 -1.802 1.689 5.352 796 HD11 LEU 98 1HD1 LEU 98 -0.259 2.356 3.128 797 HD12 LEU 98 2HD1 LEU 98 -1.896 2.229 2.482 798 HD13 LEU 98 3HD1 LEU 98 -1.178 0.865 3.339 799 HD21 LEU 98 3HD2 LEU 98 0.058 3.537 4.694 800 HD22 LEU 98 1HD2 LEU 98 -0.901 3.640 6.171 801 HD23 LEU 98 2HD2 LEU 98 -1.368 4.571 4.749 802 H LYS 99 H LYS 99 -6.060 2.304 5.694 803 HA LYS 99 HA LYS 99 -7.683 4.141 4.288 804 HB2 LYS 99 2HB LYS 99 -8.282 1.760 4.914 805 HB3 LYS 99 1HB LYS 99 -8.585 2.339 6.552 806 HG2 LYS 99 2HG LYS 99 -10.235 3.967 5.618 807 HG3 LYS 99 1HG LYS 99 -10.007 3.220 4.038 808 HD2 LYS 99 2HD LYS 99 -10.756 1.060 4.918 809 HD3 LYS 99 1HD LYS 99 -10.934 1.761 6.527 810 HE2 LYS 99 2HE LYS 99 -12.982 1.580 4.760 811 HE3 LYS 99 1HE LYS 99 -12.876 2.842 5.988 812 HZ1 LYS 99 3HZ LYS 99 -11.895 4.320 4.419 813 HZ2 LYS 99 1HZ LYS 99 -13.299 3.681 3.713 814 HZ3 LYS 99 2HZ LYS 99 -11.772 3.098 3.245 815 H LYS 100 H LYS 100 -7.013 3.840 7.769 816 HA LYS 100 HA LYS 100 -8.777 5.882 8.674 817 HB2 LYS 100 2HB LYS 100 -7.592 4.270 10.165 818 HB3 LYS 100 1HB LYS 100 -6.078 5.104 9.821 819 HG2 LYS 100 2HG LYS 100 -6.926 5.967 11.913 820 HG3 LYS 100 1HG LYS 100 -7.136 7.223 10.694 821 HD2 LYS 100 2HD LYS 100 -9.446 6.915 10.577 822 HD3 LYS 100 1HD LYS 100 -9.354 5.265 11.193 823 HE2 LYS 100 2HE LYS 100 -8.584 7.641 12.890 824 HE3 LYS 100 1HE LYS 100 -10.249 7.062 12.806 825 HZ1 LYS 100 3HZ LYS 100 -8.826 6.124 14.642 826 HZ2 LYS 100 1HZ LYS 100 -7.976 5.276 13.444 827 HZ3 LYS 100 2HZ LYS 100 -9.635 4.988 13.673 828 H ALA 101 H ALA 101 -5.459 6.000 7.479 829 HA ALA 101 HA ALA 101 -4.900 8.724 8.053 830 HB1 ALA 101 1HB ALA 101 -3.529 6.687 6.847 831 HB2 ALA 101 2HB ALA 101 -2.996 8.369 6.859 832 HB3 ALA 101 3HB ALA 101 -3.874 7.733 5.469 833 H THR 102 H THR 102 -6.790 7.254 5.470 834 HA THR 102 HA THR 102 -6.941 9.592 3.797 835 HB THR 102 HB THR 102 -8.782 8.457 2.693 836 HG1 THR 102 1HG THR 102 -9.287 7.611 5.120 837 HG21 THR 102 3HG2 THR 102 -6.636 6.567 3.686 838 HG22 THR 102 1HG2 THR 102 -6.616 7.515 2.199 839 HG23 THR 102 2HG2 THR 102 -7.754 6.178 2.378 840 H GLU 103 H GLU 103 -8.547 8.647 6.736 841 HA GLU 103 HA GLU 103 -10.812 10.442 6.442 842 HB2 GLU 103 2HB GLU 103 -10.801 8.445 7.956 843 HB3 GLU 103 1HB GLU 103 -9.634 9.281 8.983 844 HG2 GLU 103 2HG GLU 103 -11.264 11.149 9.255 845 HG3 GLU 103 1HG GLU 103 -12.438 10.224 8.318 846 HHA HEC 201 HA HEC 104 4.999 3.071 -5.805 847 HHB HEC 201 HB HEC 104 1.191 0.378 -1.541 848 HHC HEC 201 HC HEC 104 6.226 -1.185 1.954 849 HHD HEC 201 HD HEC 104 10.037 1.368 -2.402 850 HMA1 HEC 201 1HMA HEC 104 0.131 2.116 -2.606 851 HMA2 HEC 201 2HMA HEC 104 -0.113 1.065 -4.002 852 HMA3 HEC 201 3HMA HEC 104 0.108 2.801 -4.232 853 HAA1 HEC 201 1HAA HEC 104 2.804 1.950 -6.783 854 HAA2 HEC 201 2HAA HEC 104 1.222 2.442 -6.200 855 HBA1 HEC 201 1HBA HEC 104 3.126 4.090 -7.393 856 HBA2 HEC 201 2HBA HEC 104 3.227 4.485 -5.679 857 HMB1 HEC 201 1HMB HEC 104 0.509 -0.815 1.083 858 HMB2 HEC 201 2HMB HEC 104 0.862 -1.575 -0.464 859 HMB3 HEC 201 3HMB HEC 104 1.318 -2.379 1.026 860 HAB HEC 201 HAB HEC 104 4.447 -1.851 3.067 861 HBB1 HEC 201 1HBB HEC 104 2.264 -2.918 2.942 862 HBB2 HEC 201 2HBB HEC 104 1.465 -1.347 3.045 863 HBB3 HEC 201 3HBB HEC 104 2.379 -1.960 4.412 864 HMC1 HEC 201 1HMC HEC 104 8.682 -2.524 1.404 865 HMC2 HEC 201 2HMC HEC 104 8.478 -1.361 2.715 866 HMC3 HEC 201 3HMC HEC 104 10.033 -1.501 1.895 867 HAC HEC 201 HAC HEC 104 11.065 1.317 -0.450 868 HBC1 HEC 201 1HBC HEC 104 11.192 -1.543 -0.368 869 HBC2 HEC 201 2HBC HEC 104 12.470 -0.404 -0.793 870 HBC3 HEC 201 3HBC HEC 104 12.253 -0.899 0.886 871 HMD1 HEC 201 1HMD HEC 104 10.653 3.127 -4.620 872 HMD2 HEC 201 2HMD HEC 104 10.017 2.357 -6.074 873 HMD3 HEC 201 3HMD HEC 104 10.485 1.371 -4.686 874 HAD1 HEC 201 1HAD HEC 104 8.569 4.323 -6.293 875 HAD2 HEC 201 2HAD HEC 104 6.856 4.610 -6.044 876 HBD1 HEC 201 1HBD HEC 104 8.208 3.121 -8.169 877 HBD2 HEC 201 2HBD HEC 104 6.880 2.220 -7.437 Start of MODEL 15 1 H1 THR -5 1HT THR -5 -11.805 -11.527 -1.850 2 H2 THR -5 2HT THR -5 -13.378 -10.949 -1.575 3 H3 THR -5 3HT THR -5 -12.452 -11.548 -0.282 4 HA THR -5 HA THR -5 -10.892 -9.735 -0.493 5 HB THR -5 HB THR -5 -10.991 -8.166 -2.204 6 HG1 THR -5 1HG THR -5 -12.978 -7.379 -2.155 7 HG21 THR -5 1HG2 THR -5 -11.167 -9.342 -4.276 8 HG22 THR -5 2HG2 THR -5 -12.328 -10.488 -3.605 9 HG23 THR -5 3HG2 THR -5 -10.644 -10.534 -3.085 10 H GLU -4 H GLU -4 -13.627 -10.581 0.671 11 HA GLU -4 HA GLU -4 -15.229 -8.288 1.134 12 HB2 GLU -4 2HB GLU -4 -14.678 -10.637 2.978 13 HB3 GLU -4 1HB GLU -4 -15.999 -9.482 3.174 14 HG2 GLU -4 2HG GLU -4 -15.575 -11.237 0.737 15 HG3 GLU -4 1HG GLU -4 -16.742 -11.555 2.020 16 H PHE -3 H PHE -3 -15.157 -6.677 2.743 17 HA PHE -3 HA PHE -3 -12.481 -6.300 3.976 18 HB2 PHE -3 2HB PHE -3 -13.474 -4.440 2.646 19 HB3 PHE -3 1HB PHE -3 -14.818 -4.375 3.787 20 HD1 PHE -3 1HD PHE -3 -11.193 -3.793 3.345 21 HD2 PHE -3 2HD PHE -3 -14.539 -3.474 6.020 22 HE1 PHE -3 1HE PHE -3 -9.854 -2.341 4.848 23 HE2 PHE -3 2HE PHE -3 -13.199 -2.024 7.521 24 HZ PHE -3 HZ PHE -3 -10.859 -1.459 6.937 25 H LYS -2 H LYS -2 -12.195 -6.609 6.132 26 HA LYS -2 HA LYS -2 -14.522 -7.345 7.780 27 HB2 LYS -2 2HB LYS -2 -11.545 -7.284 8.361 28 HB3 LYS -2 1HB LYS -2 -12.772 -7.851 9.495 29 HG2 LYS -2 2HG LYS -2 -13.455 -9.607 7.952 30 HG3 LYS -2 1HG LYS -2 -12.349 -8.996 6.719 31 HD2 LYS -2 2HD LYS -2 -11.400 -10.943 7.939 32 HD3 LYS -2 1HD LYS -2 -10.429 -9.485 8.156 33 HE2 LYS -2 2HE LYS -2 -11.130 -9.183 10.356 34 HE3 LYS -2 1HE LYS -2 -12.613 -10.109 10.119 35 HZ1 LYS -2 3HZ LYS -2 -11.576 -12.036 10.530 36 HZ2 LYS -2 1HZ LYS -2 -10.410 -11.070 11.294 37 HZ3 LYS -2 2HZ LYS -2 -10.164 -11.589 9.695 38 H ALA -1 H ALA -1 -14.459 -6.390 10.118 39 HA ALA -1 HA ALA -1 -15.155 -3.729 10.173 40 HB1 ALA -1 1HB ALA -1 -14.574 -5.667 12.115 41 HB2 ALA -1 2HB ALA -1 -15.277 -4.075 12.400 42 HB3 ALA -1 3HB ALA -1 -13.531 -4.302 12.514 43 H GLY 1 H GLY 1 -11.967 -5.012 9.753 44 HA2 GLY 1 2HA GLY 1 -10.027 -3.865 9.051 45 HA3 GLY 1 1HA GLY 1 -10.934 -2.356 9.145 46 H SER 2 H SER 2 -9.200 -4.755 11.107 47 HA SER 2 HA SER 2 -9.310 -3.165 13.531 48 HB2 SER 2 2HB SER 2 -7.837 -4.786 14.464 49 HB3 SER 2 1HB SER 2 -8.853 -5.689 13.344 50 HG SER 2 HG SER 2 -7.081 -6.208 12.363 51 H ALA 3 H ALA 3 -7.218 -2.300 14.526 52 HA ALA 3 HA ALA 3 -5.412 -1.193 12.417 53 HB1 ALA 3 1HB ALA 3 -5.528 0.977 13.330 54 HB2 ALA 3 2HB ALA 3 -6.217 0.397 14.846 55 HB3 ALA 3 3HB ALA 3 -7.202 0.425 13.383 56 H LYS 4 H LYS 4 -5.273 -3.404 14.539 57 HA LYS 4 HA LYS 4 -3.104 -2.362 16.259 58 HB2 LYS 4 2HB LYS 4 -4.875 -3.871 17.192 59 HB3 LYS 4 1HB LYS 4 -4.279 -5.154 16.137 60 HG2 LYS 4 2HG LYS 4 -2.079 -5.054 17.201 61 HG3 LYS 4 1HG LYS 4 -2.603 -3.702 18.206 62 HD2 LYS 4 2HD LYS 4 -2.766 -5.717 19.534 63 HD3 LYS 4 1HD LYS 4 -4.402 -5.191 19.145 64 HE2 LYS 4 2HE LYS 4 -4.712 -6.893 17.561 65 HE3 LYS 4 1HE LYS 4 -2.980 -7.147 17.356 66 HZ1 LYS 4 3HZ LYS 4 -3.229 -8.814 18.787 67 HZ2 LYS 4 1HZ LYS 4 -4.778 -8.306 19.258 68 HZ3 LYS 4 2HZ LYS 4 -3.404 -7.634 19.997 69 H LYS 5 H LYS 5 -3.413 -5.420 14.437 70 HA LYS 5 HA LYS 5 -0.587 -5.730 14.113 71 HB2 LYS 5 2HB LYS 5 -2.882 -6.908 12.519 72 HB3 LYS 5 1HB LYS 5 -1.205 -7.448 12.414 73 HG2 LYS 5 2HG LYS 5 -1.246 -7.932 14.863 74 HG3 LYS 5 1HG LYS 5 -2.957 -7.503 14.887 75 HD2 LYS 5 2HD LYS 5 -3.379 -9.271 13.169 76 HD3 LYS 5 1HD LYS 5 -1.686 -9.748 13.295 77 HE2 LYS 5 2HE LYS 5 -3.652 -9.718 15.603 78 HE3 LYS 5 1HE LYS 5 -3.157 -11.160 14.717 79 HZ1 LYS 5 3HZ LYS 5 -0.899 -10.808 15.400 80 HZ2 LYS 5 1HZ LYS 5 -1.888 -10.815 16.777 81 HZ3 LYS 5 2HZ LYS 5 -1.303 -9.343 16.159 82 H GLY 6 H GLY 6 -3.078 -4.491 11.870 83 HA2 GLY 6 2HA GLY 6 -1.346 -4.054 9.659 84 HA3 GLY 6 1HA GLY 6 -2.848 -3.177 9.942 85 H ALA 7 H ALA 7 -2.123 -1.964 12.434 86 HA ALA 7 HA ALA 7 -0.767 0.361 11.484 87 HB1 ALA 7 1HB ALA 7 -1.234 -0.604 14.318 88 HB2 ALA 7 2HB ALA 7 -2.276 0.477 13.395 89 HB3 ALA 7 3HB ALA 7 -0.671 1.012 13.893 90 H THR 8 H THR 8 0.391 -2.242 13.647 91 HA THR 8 HA THR 8 3.096 -1.186 13.684 92 HB THR 8 HB THR 8 3.642 -3.231 14.888 93 HG1 THR 8 1HG THR 8 1.743 -4.234 13.384 94 HG21 THR 8 3HG2 THR 8 2.501 -1.574 16.214 95 HG22 THR 8 1HG2 THR 8 1.845 -3.151 16.655 96 HG23 THR 8 2HG2 THR 8 0.934 -2.083 15.588 97 H LEU 9 H LEU 9 1.375 -3.656 11.801 98 HA LEU 9 HA LEU 9 3.623 -4.862 10.554 99 HB2 LEU 9 2HB LEU 9 1.226 -5.628 10.329 100 HB3 LEU 9 1HB LEU 9 0.955 -4.272 9.233 101 HG LEU 9 HG LEU 9 3.093 -5.258 8.014 102 HD11 LEU 9 1HD1 LEU 9 1.889 -7.693 9.362 103 HD12 LEU 9 2HD1 LEU 9 3.462 -6.996 9.753 104 HD13 LEU 9 3HD1 LEU 9 3.181 -7.702 8.162 105 HD21 LEU 9 3HD2 LEU 9 0.779 -5.041 7.086 106 HD22 LEU 9 1HD2 LEU 9 0.380 -6.602 7.807 107 HD23 LEU 9 2HD2 LEU 9 1.602 -6.500 6.538 108 H PHE 10 H PHE 10 1.801 -1.939 9.780 109 HA PHE 10 HA PHE 10 3.171 -1.259 7.362 110 HB2 PHE 10 2HB PHE 10 1.034 -0.218 8.219 111 HB3 PHE 10 1HB PHE 10 1.994 0.629 9.427 112 HD1 PHE 10 1HD PHE 10 1.389 0.246 5.784 113 HD2 PHE 10 2HD PHE 10 3.316 2.540 8.862 114 HE1 PHE 10 1HE PHE 10 1.896 2.031 4.137 115 HE2 PHE 10 2HE PHE 10 3.819 4.320 7.213 116 HZ PHE 10 HZ PHE 10 3.117 4.068 4.858 117 H LYS 11 H LYS 11 3.697 -0.336 10.751 118 HA LYS 11 HA LYS 11 6.001 1.296 10.323 119 HB2 LYS 11 2HB LYS 11 4.571 1.142 12.431 120 HB3 LYS 11 1HB LYS 11 5.420 -0.358 12.788 121 HG2 LYS 11 2HG LYS 11 7.584 0.850 12.696 122 HG3 LYS 11 1HG LYS 11 6.714 2.357 12.406 123 HD2 LYS 11 2HD LYS 11 5.485 1.993 14.564 124 HD3 LYS 11 1HD LYS 11 6.521 0.597 14.867 125 HE2 LYS 11 2HE LYS 11 8.232 2.745 14.153 126 HE3 LYS 11 1HE LYS 11 7.084 3.379 15.332 127 HZ1 LYS 11 3HZ LYS 11 8.906 2.455 16.513 128 HZ2 LYS 11 1HZ LYS 11 8.841 1.007 15.629 129 HZ3 LYS 11 2HZ LYS 11 7.593 1.395 16.716 130 H THR 12 H THR 12 5.635 -2.167 10.969 131 HA THR 12 HA THR 12 8.434 -2.701 11.299 132 HB THR 12 HB THR 12 7.814 -5.047 11.096 133 HG1 THR 12 1HG THR 12 5.733 -5.586 10.411 134 HG21 THR 12 3HG2 THR 12 5.431 -4.553 12.494 135 HG22 THR 12 1HG2 THR 12 6.439 -3.136 12.787 136 HG23 THR 12 2HG2 THR 12 7.042 -4.743 13.188 137 H ARG 13 H ARG 13 6.356 -2.690 8.401 138 HA ARG 13 HA ARG 13 8.820 -2.736 6.778 139 HB2 ARG 13 2HB ARG 13 6.667 -4.851 6.573 140 HB3 ARG 13 1HB ARG 13 7.894 -4.584 5.335 141 HG2 ARG 13 2HG ARG 13 9.650 -4.938 7.106 142 HG3 ARG 13 1HG ARG 13 8.358 -5.390 8.221 143 HD2 ARG 13 2HD ARG 13 7.647 -7.149 6.563 144 HD3 ARG 13 1HD ARG 13 9.101 -6.780 5.636 145 HE ARG 13 HE ARG 13 10.358 -7.951 7.254 146 HH11 ARG 13 1HH2 ARG 13 7.221 -7.101 8.404 147 HH12 ARG 13 2HH2 ARG 13 7.370 -8.002 9.875 148 HH21 ARG 13 1HH1 ARG 13 10.571 -9.134 9.169 149 HH22 ARG 13 2HH1 ARG 13 9.266 -9.153 10.308 150 H CYS 14 H CYS 14 7.466 -0.493 6.808 151 HA CYS 14 HA CYS 14 6.485 -0.199 4.126 152 HB2 CYS 14 2HB CYS 14 4.539 -1.332 5.478 153 HB3 CYS 14 1HB CYS 14 4.305 0.290 6.128 154 H LEU 15 H LEU 15 6.201 1.163 7.409 155 HA LEU 15 HA LEU 15 5.975 3.883 6.630 156 HB2 LEU 15 2HB LEU 15 5.579 3.069 8.939 157 HB3 LEU 15 1HB LEU 15 7.303 2.751 9.111 158 HG LEU 15 HG LEU 15 7.641 5.247 8.530 159 HD11 LEU 15 1HD1 LEU 15 5.463 5.821 7.690 160 HD12 LEU 15 2HD1 LEU 15 5.640 6.638 9.241 161 HD13 LEU 15 3HD1 LEU 15 4.674 5.168 9.127 162 HD21 LEU 15 3HD2 LEU 15 7.925 4.269 10.788 163 HD22 LEU 15 1HD2 LEU 15 6.205 4.502 11.092 164 HD23 LEU 15 2HD2 LEU 15 7.256 5.899 10.864 165 H GLN 16 H GLN 16 8.831 1.838 7.103 166 HA GLN 16 HA GLN 16 10.810 3.863 6.988 167 HB2 GLN 16 2HB GLN 16 10.908 1.008 5.971 168 HB3 GLN 16 1HB GLN 16 12.319 2.048 6.172 169 HG2 GLN 16 2HG GLN 16 11.838 2.271 8.570 170 HG3 GLN 16 1HG GLN 16 10.397 1.269 8.385 171 HE21 GLN 16 1HE2 GLN 16 12.489 0.456 10.139 172 HE22 GLN 16 2HE2 GLN 16 13.242 -0.919 9.489 173 H CYS 17 H CYS 17 9.102 2.180 4.365 174 HA CYS 17 HA CYS 17 10.655 3.709 2.358 175 HB2 CYS 17 2HB CYS 17 8.515 1.586 2.090 176 HB3 CYS 17 1HB CYS 17 9.281 2.392 0.722 177 H HIS 18 H HIS 18 7.308 3.397 3.522 178 HA HIS 18 HA HIS 18 6.587 5.769 1.862 179 HB2 HIS 18 2HB HIS 18 4.936 3.568 3.127 180 HB3 HIS 18 1HB HIS 18 4.213 5.031 2.443 181 HD1 HIS 18 1HD HIS 18 4.904 5.485 -0.179 182 HD2 HIS 18 2HD HIS 18 5.476 1.621 1.270 183 HE1 HIS 18 1HE HIS 18 5.107 3.977 -2.211 184 H THR 19 H THR 19 6.083 7.668 2.850 185 HA THR 19 HA THR 19 6.083 7.692 5.830 186 HB THR 19 HB THR 19 6.725 10.006 5.675 187 HG1 THR 19 1HG THR 19 5.294 10.098 3.622 188 HG21 THR 19 3HG2 THR 19 8.194 7.903 4.439 189 HG22 THR 19 1HG2 THR 19 8.823 9.362 5.203 190 HG23 THR 19 2HG2 THR 19 8.449 9.360 3.480 191 H VAL 20 H VAL 20 3.941 7.706 3.274 192 HA VAL 20 HA VAL 20 1.719 8.444 3.021 193 HB VAL 20 HB VAL 20 1.566 8.238 6.026 194 HG11 VAL 20 1HG1 VAL 20 -0.273 7.571 3.711 195 HG12 VAL 20 2HG1 VAL 20 -0.503 8.821 4.934 196 HG13 VAL 20 3HG1 VAL 20 -0.611 7.119 5.380 197 HG21 VAL 20 3HG2 VAL 20 2.776 6.284 5.641 198 HG22 VAL 20 1HG2 VAL 20 2.154 6.103 4.000 199 HG23 VAL 20 2HG2 VAL 20 1.128 5.712 5.380 200 H GLU 21 H GLU 21 3.909 10.492 3.936 201 HA GLU 21 HA GLU 21 2.053 12.543 5.059 202 HB2 GLU 21 2HB GLU 21 4.235 12.115 6.235 203 HB3 GLU 21 1HB GLU 21 5.069 12.680 4.788 204 HG2 GLU 21 2HG GLU 21 3.858 14.847 4.966 205 HG3 GLU 21 1HG GLU 21 3.111 14.282 6.461 206 H LYS 22 H LYS 22 1.532 14.346 3.850 207 HA LYS 22 HA LYS 22 2.115 14.278 0.996 208 HB2 LYS 22 2HB LYS 22 -0.062 15.064 1.812 209 HB3 LYS 22 1HB LYS 22 0.724 16.372 2.696 210 HG2 LYS 22 2HG LYS 22 1.532 17.353 0.625 211 HG3 LYS 22 1HG LYS 22 0.904 15.994 -0.303 212 HD2 LYS 22 2HD LYS 22 -0.681 17.813 -0.496 213 HD3 LYS 22 1HD LYS 22 -1.398 16.579 0.541 214 HE2 LYS 22 2HE LYS 22 -1.032 17.830 2.499 215 HE3 LYS 22 1HE LYS 22 0.196 18.839 1.735 216 HZ1 LYS 22 3HZ LYS 22 -1.832 20.074 1.953 217 HZ2 LYS 22 1HZ LYS 22 -2.719 18.860 1.167 218 HZ3 LYS 22 2HZ LYS 22 -1.562 19.759 0.306 219 H GLY 23 H GLY 23 2.254 17.300 2.772 220 HA2 GLY 23 2HA GLY 23 4.394 18.402 1.337 221 HA3 GLY 23 1HA GLY 23 3.970 18.897 2.976 222 H GLY 24 H GLY 24 4.462 15.907 3.689 223 HA2 GLY 24 2HA GLY 24 6.862 16.074 5.015 224 HA3 GLY 24 1HA GLY 24 6.297 14.557 4.318 225 HA PRO 25 HA PRO 25 10.273 16.288 2.257 226 HB2 PRO 25 2HB PRO 25 11.931 14.280 3.185 227 HB3 PRO 25 1HB PRO 25 11.747 15.862 3.964 228 HG2 PRO 25 2HG PRO 25 10.484 13.255 4.651 229 HG3 PRO 25 1HG PRO 25 11.132 14.510 5.718 230 HD2 PRO 25 2HD PRO 25 8.474 14.243 5.306 231 HD3 PRO 25 1HD PRO 25 9.223 15.838 5.547 232 H HIS 26 H HIS 26 8.436 13.404 2.414 233 HA HIS 26 HA HIS 26 8.076 11.690 0.870 234 HB2 HIS 26 2HB HIS 26 9.022 13.981 -0.737 235 HB3 HIS 26 1HB HIS 26 9.276 12.410 -1.494 236 HD1 HIS 26 1HD HIS 26 7.175 11.016 -2.107 237 HD2 HIS 26 2HD HIS 26 6.284 14.701 -0.370 238 HE1 HIS 26 1HE HIS 26 4.694 11.397 -2.463 239 HE2 HIS 26 2HE HIS 26 4.142 13.636 -1.407 240 H LYS 27 H LYS 27 9.349 10.072 1.745 241 HA LYS 27 HA LYS 27 12.239 10.051 1.475 242 HB2 LYS 27 2HB LYS 27 10.222 7.992 2.380 243 HB3 LYS 27 1HB LYS 27 11.950 7.655 2.316 244 HG2 LYS 27 2HG LYS 27 12.362 9.622 3.783 245 HG3 LYS 27 1HG LYS 27 10.621 9.866 3.906 246 HD2 LYS 27 2HD LYS 27 10.413 7.546 4.829 247 HD3 LYS 27 1HD LYS 27 12.173 7.425 4.814 248 HE2 LYS 27 2HE LYS 27 10.870 9.759 6.182 249 HE3 LYS 27 1HE LYS 27 10.946 8.201 7.007 250 HZ1 LYS 27 3HZ LYS 27 13.443 8.483 6.022 251 HZ2 LYS 27 1HZ LYS 27 12.976 8.855 7.609 252 HZ3 LYS 27 2HZ LYS 27 13.046 10.083 6.436 253 H VAL 28 H VAL 28 12.873 7.485 0.689 254 HA VAL 28 HA VAL 28 13.089 7.657 -2.091 255 HB VAL 28 HB VAL 28 13.011 5.215 -0.303 256 HG11 VAL 28 1HG1 VAL 28 13.430 5.505 -3.264 257 HG12 VAL 28 2HG1 VAL 28 12.553 4.256 -2.380 258 HG13 VAL 28 3HG1 VAL 28 14.316 4.263 -2.378 259 HG21 VAL 28 3HG2 VAL 28 15.483 5.310 -0.721 260 HG22 VAL 28 1HG2 VAL 28 14.869 6.724 0.137 261 HG23 VAL 28 2HG2 VAL 28 15.237 6.829 -1.585 262 H GLY 29 H GLY 29 10.577 5.907 -0.235 263 HA2 GLY 29 2HA GLY 29 9.153 5.278 -2.730 264 HA3 GLY 29 1HA GLY 29 8.644 4.813 -1.107 265 HA PRO 30 HA PRO 30 6.640 8.926 -2.729 266 HB2 PRO 30 2HB PRO 30 4.264 7.877 -3.693 267 HB3 PRO 30 1HB PRO 30 5.658 8.307 -4.702 268 HG2 PRO 30 2HG PRO 30 4.777 5.648 -3.724 269 HG3 PRO 30 1HG PRO 30 5.518 6.101 -5.268 270 HD2 PRO 30 2HD PRO 30 6.922 4.885 -3.267 271 HD3 PRO 30 1HD PRO 30 7.670 6.012 -4.420 272 H ASN 31 H ASN 31 5.040 9.964 -1.438 273 HA ASN 31 HA ASN 31 4.242 8.461 0.956 274 HB2 ASN 31 2HB ASN 31 3.752 11.344 0.148 275 HB3 ASN 31 1HB ASN 31 3.370 10.654 1.725 276 HD21 ASN 31 1HD2 ASN 31 6.134 9.083 0.700 277 HD22 ASN 31 2HD2 ASN 31 7.299 10.076 1.431 278 H LEU 32 H LEU 32 2.151 7.809 1.433 279 HA LEU 32 HA LEU 32 0.203 7.973 -0.795 280 HB2 LEU 32 2HB LEU 32 0.136 6.391 1.795 281 HB3 LEU 32 1HB LEU 32 -1.065 6.288 0.509 282 HG LEU 32 HG LEU 32 0.791 5.652 -1.074 283 HD11 LEU 32 1HD1 LEU 32 2.831 6.258 -0.196 284 HD12 LEU 32 2HD1 LEU 32 2.765 4.607 0.418 285 HD13 LEU 32 3HD1 LEU 32 2.327 5.952 1.467 286 HD21 LEU 32 3HD2 LEU 32 0.115 3.955 1.334 287 HD22 LEU 32 1HD2 LEU 32 1.085 3.327 0.002 288 HD23 LEU 32 2HD2 LEU 32 -0.568 3.868 -0.290 289 H HIS 33 H HIS 33 -1.756 9.042 -0.614 290 HA HIS 33 HA HIS 33 -2.900 9.937 1.860 291 HB2 HIS 33 2HB HIS 33 -2.464 12.347 1.663 292 HB3 HIS 33 1HB HIS 33 -0.941 11.470 1.805 293 HD1 HIS 33 1HD HIS 33 0.258 10.915 -0.595 294 HD2 HIS 33 2HD HIS 33 -2.614 13.941 -0.603 295 HE1 HIS 33 1HE HIS 33 0.622 12.246 -2.722 296 HE2 HIS 33 2HE HIS 33 -1.121 14.089 -2.735 297 H GLY 34 H GLY 34 -4.764 9.105 0.799 298 HA2 GLY 34 2HA GLY 34 -6.835 9.738 -0.247 299 HA3 GLY 34 1HA GLY 34 -5.974 11.004 -1.126 300 H ILE 35 H ILE 35 -4.142 8.227 -1.241 301 HA ILE 35 HA ILE 35 -4.409 7.866 -4.040 302 HB ILE 35 HB ILE 35 -2.521 7.047 -2.522 303 HG12 ILE 35 2HG1 ILE 35 -3.601 4.878 -4.334 304 HG13 ILE 35 1HG1 ILE 35 -2.957 6.388 -4.981 305 HG21 ILE 35 1HG2 ILE 35 -4.328 4.641 -2.204 306 HG22 ILE 35 2HG2 ILE 35 -4.164 5.881 -0.961 307 HG23 ILE 35 3HG2 ILE 35 -2.764 4.923 -1.441 308 HD11 ILE 35 3HD1 ILE 35 -1.281 5.014 -2.949 309 HD12 ILE 35 1HD1 ILE 35 -0.800 5.872 -4.412 310 HD13 ILE 35 2HD1 ILE 35 -1.411 4.221 -4.520 311 H PHE 36 H PHE 36 -6.352 6.687 -1.410 312 HA PHE 36 HA PHE 36 -7.508 4.413 -2.715 313 HB2 PHE 36 2HB PHE 36 -8.518 6.254 -0.534 314 HB3 PHE 36 1HB PHE 36 -9.404 4.831 -1.073 315 HD1 PHE 36 1HD PHE 36 -8.548 2.576 -0.675 316 HD2 PHE 36 2HD PHE 36 -6.407 6.042 0.693 317 HE1 PHE 36 1HE PHE 36 -7.154 1.138 0.788 318 HE2 PHE 36 2HE PHE 36 -5.014 4.600 2.156 319 HZ PHE 36 HZ PHE 36 -5.390 2.149 2.201 320 H GLY 37 H GLY 37 -9.110 4.298 -4.240 321 HA2 GLY 37 2HA GLY 37 -10.846 4.993 -5.671 322 HA3 GLY 37 1HA GLY 37 -11.041 6.421 -4.654 323 H ARG 38 H ARG 38 -7.905 5.655 -5.999 324 HA ARG 38 HA ARG 38 -8.310 7.586 -8.201 325 HB2 ARG 38 2HB ARG 38 -6.305 7.962 -5.966 326 HB3 ARG 38 1HB ARG 38 -6.238 8.840 -7.496 327 HG2 ARG 38 2HG ARG 38 -8.559 9.659 -7.084 328 HG3 ARG 38 1HG ARG 38 -8.531 8.863 -5.512 329 HD2 ARG 38 2HD ARG 38 -6.542 10.225 -4.892 330 HD3 ARG 38 1HD ARG 38 -6.662 11.064 -6.437 331 HE ARG 38 HE ARG 38 -8.391 12.351 -5.500 332 HH11 ARG 38 1HH2 ARG 38 -8.008 9.352 -3.843 333 HH12 ARG 38 2HH2 ARG 38 -9.196 9.718 -2.636 334 HH21 ARG 38 1HH1 ARG 38 -9.942 12.843 -3.936 335 HH22 ARG 38 2HH1 ARG 38 -10.290 11.692 -2.690 336 H HIS 39 H HIS 39 -6.256 7.712 -9.578 337 HA HIS 39 HA HIS 39 -5.208 4.953 -9.865 338 HB2 HIS 39 2HB HIS 39 -5.153 7.330 -11.744 339 HB3 HIS 39 1HB HIS 39 -4.475 5.747 -12.117 340 HD1 HIS 39 1HD HIS 39 -7.731 7.554 -11.695 341 HD2 HIS 39 2HD HIS 39 -6.417 3.695 -12.581 342 HE1 HIS 39 1HE HIS 39 -9.761 6.275 -12.514 343 HE2 HIS 39 2HE HIS 39 -8.970 3.925 -13.056 344 H SER 40 H SER 40 -2.913 4.638 -10.299 345 HA SER 40 HA SER 40 -1.198 5.979 -8.461 346 HB2 SER 40 2HB SER 40 -0.197 4.578 -10.933 347 HB3 SER 40 1HB SER 40 0.543 4.649 -9.338 348 HG SER 40 HG SER 40 -1.773 3.240 -10.164 349 H GLY 41 H GLY 41 0.780 7.235 -9.084 350 HA2 GLY 41 2HA GLY 41 1.937 8.714 -10.617 351 HA3 GLY 41 1HA GLY 41 0.470 8.798 -11.588 352 H GLN 42 H GLN 42 -0.714 9.046 -8.590 353 HA GLN 42 HA GLN 42 -1.306 11.830 -8.791 354 HB2 GLN 42 2HB GLN 42 -2.612 10.132 -7.463 355 HB3 GLN 42 1HB GLN 42 -1.326 10.175 -6.255 356 HG2 GLN 42 2HG GLN 42 -1.655 12.656 -6.077 357 HG3 GLN 42 1HG GLN 42 -3.048 12.502 -7.149 358 HE21 GLN 42 1HE2 GLN 42 -5.015 11.715 -6.252 359 HE22 GLN 42 2HE2 GLN 42 -5.186 11.286 -4.619 360 H ALA 43 H ALA 43 1.209 10.093 -6.965 361 HA ALA 43 HA ALA 43 2.147 12.440 -5.569 362 HB1 ALA 43 1HB ALA 43 3.928 10.114 -6.232 363 HB2 ALA 43 2HB ALA 43 2.609 9.917 -5.077 364 HB3 ALA 43 3HB ALA 43 3.884 11.095 -4.769 365 H GLU 44 H GLU 44 2.139 13.891 -7.473 366 HA GLU 44 HA GLU 44 3.920 13.552 -9.684 367 HB2 GLU 44 2HB GLU 44 2.848 16.082 -8.396 368 HB3 GLU 44 1HB GLU 44 3.666 16.022 -9.957 369 HG2 GLU 44 2HG GLU 44 1.932 14.444 -10.782 370 HG3 GLU 44 1HG GLU 44 1.094 14.589 -9.237 371 H GLY 45 H GLY 45 4.366 14.837 -6.432 372 HA2 GLY 45 2HA GLY 45 6.856 16.137 -6.774 373 HA3 GLY 45 1HA GLY 45 6.327 15.384 -5.270 374 H TYR 46 H TYR 46 6.103 12.698 -6.381 375 HA TYR 46 HA TYR 46 9.019 12.102 -6.713 376 HB2 TYR 46 2HB TYR 46 7.926 11.265 -4.606 377 HB3 TYR 46 1HB TYR 46 6.867 10.275 -5.609 378 HD1 TYR 46 1HD TYR 46 10.411 10.898 -4.682 379 HD2 TYR 46 2HD TYR 46 7.639 8.241 -6.606 380 HE1 TYR 46 1HE TYR 46 12.174 9.161 -4.823 381 HE2 TYR 46 2HE TYR 46 9.404 6.503 -6.748 382 HH TYR 46 HH TYR 46 11.668 6.169 -6.604 383 H SER 47 H SER 47 9.627 10.941 -8.500 384 HA SER 47 HA SER 47 7.709 10.558 -10.635 385 HB2 SER 47 2HB SER 47 9.571 9.802 -11.933 386 HB3 SER 47 1HB SER 47 10.188 11.086 -10.897 387 HG SER 47 HG SER 47 10.760 8.401 -10.937 388 H TYR 48 H TYR 48 7.364 8.434 -11.709 389 HA TYR 48 HA TYR 48 7.226 6.221 -9.698 390 HB2 TYR 48 2HB TYR 48 5.408 6.953 -12.001 391 HB3 TYR 48 1HB TYR 48 5.351 5.373 -11.220 392 HD1 TYR 48 2HD TYR 48 5.006 9.033 -10.615 393 HD2 TYR 48 1HD TYR 48 4.312 5.073 -9.105 394 HE1 TYR 48 2HE TYR 48 3.602 9.970 -8.796 395 HE2 TYR 48 1HE TYR 48 2.910 6.008 -7.288 396 HH TYR 48 HH TYR 48 1.874 7.847 -6.533 397 H THR 49 H THR 49 7.823 4.121 -10.405 398 HA THR 49 HA THR 49 9.817 4.069 -12.522 399 HB THR 49 HB THR 49 10.097 1.726 -11.930 400 HG1 THR 49 1HG THR 49 7.774 2.068 -10.343 401 HG21 THR 49 3HG2 THR 49 11.204 3.014 -10.329 402 HG22 THR 49 1HG2 THR 49 10.150 2.019 -9.327 403 HG23 THR 49 2HG2 THR 49 9.708 3.687 -9.687 404 H ASP 50 H ASP 50 9.685 2.552 -14.376 405 HA ASP 50 HA ASP 50 7.377 2.936 -15.956 406 HB2 ASP 50 2HB ASP 50 9.511 0.806 -16.113 407 HB3 ASP 50 1HB ASP 50 8.302 1.071 -17.365 408 H ALA 51 H ALA 51 8.218 0.307 -13.753 409 HA ALA 51 HA ALA 51 6.379 -1.657 -14.424 410 HB1 ALA 51 1HB ALA 51 6.661 -0.851 -11.542 411 HB2 ALA 51 2HB ALA 51 8.052 -1.488 -12.419 412 HB3 ALA 51 3HB ALA 51 6.598 -2.468 -12.244 413 H ASN 52 H ASN 52 5.564 0.564 -11.744 414 HA ASN 52 HA ASN 52 2.795 0.111 -11.822 415 HB2 ASN 52 2HB ASN 52 3.887 1.339 -9.996 416 HB3 ASN 52 1HB ASN 52 4.213 2.688 -11.087 417 HD21 ASN 52 1HD2 ASN 52 1.447 0.779 -9.753 418 HD22 ASN 52 2HD2 ASN 52 0.342 2.069 -9.817 419 H ILE 53 H ILE 53 4.644 2.564 -13.662 420 HA ILE 53 HA ILE 53 2.426 3.898 -14.799 421 HB ILE 53 HB ILE 53 5.137 3.317 -16.026 422 HG12 ILE 53 2HG1 ILE 53 4.137 5.761 -14.533 423 HG13 ILE 53 1HG1 ILE 53 5.137 4.503 -13.806 424 HG21 ILE 53 1HG2 ILE 53 4.621 5.380 -17.352 425 HG22 ILE 53 2HG2 ILE 53 2.982 5.329 -16.706 426 HG23 ILE 53 3HG2 ILE 53 3.567 4.018 -17.729 427 HD11 ILE 53 3HD1 ILE 53 6.256 5.416 -16.332 428 HD12 ILE 53 1HD1 ILE 53 7.011 5.344 -14.741 429 HD13 ILE 53 2HD1 ILE 53 6.054 6.752 -15.199 430 H LYS 54 H LYS 54 4.312 1.169 -16.159 431 HA LYS 54 HA LYS 54 2.589 0.759 -18.405 432 HB2 LYS 54 2HB LYS 54 4.896 -0.200 -18.167 433 HB3 LYS 54 1HB LYS 54 4.261 -1.320 -16.960 434 HG2 LYS 54 2HG LYS 54 2.650 -2.186 -18.641 435 HG3 LYS 54 1HG LYS 54 3.355 -1.107 -19.847 436 HD2 LYS 54 2HD LYS 54 5.576 -2.202 -19.442 437 HD3 LYS 54 1HD LYS 54 4.764 -3.360 -18.388 438 HE2 LYS 54 2HE LYS 54 3.455 -4.228 -20.190 439 HE3 LYS 54 1HE LYS 54 3.905 -2.892 -21.251 440 HZ1 LYS 54 3HZ LYS 54 5.207 -5.338 -20.915 441 HZ2 LYS 54 1HZ LYS 54 6.240 -4.133 -20.318 442 HZ3 LYS 54 2HZ LYS 54 5.660 -4.037 -21.912 443 H LYS 55 H LYS 55 2.576 -0.551 -15.114 444 HA LYS 55 HA LYS 55 0.060 -2.016 -15.729 445 HB2 LYS 55 2HB LYS 55 1.906 -2.143 -13.327 446 HB3 LYS 55 1HB LYS 55 0.434 -3.098 -13.515 447 HG2 LYS 55 2HG LYS 55 1.374 -4.040 -15.633 448 HG3 LYS 55 1HG LYS 55 2.877 -3.177 -15.306 449 HD2 LYS 55 2HD LYS 55 3.059 -4.379 -13.132 450 HD3 LYS 55 1HD LYS 55 1.607 -5.293 -13.544 451 HE2 LYS 55 2HE LYS 55 4.168 -5.258 -15.172 452 HE3 LYS 55 1HE LYS 55 3.662 -6.562 -14.096 453 HZ1 LYS 55 3HZ LYS 55 3.094 -6.944 -16.454 454 HZ2 LYS 55 1HZ LYS 55 2.074 -5.590 -16.407 455 HZ3 LYS 55 2HZ LYS 55 1.736 -6.940 -15.433 456 H ASN 56 H ASN 56 0.237 0.960 -15.367 457 HA ASN 56 HA ASN 56 -0.561 1.930 -12.900 458 HB2 ASN 56 2HB ASN 56 -0.385 3.286 -15.014 459 HB3 ASN 56 1HB ASN 56 -1.953 2.641 -15.501 460 HD21 ASN 56 1HD2 ASN 56 -1.202 3.356 -12.111 461 HD22 ASN 56 2HD2 ASN 56 -2.258 4.677 -11.973 462 H VAL 57 H VAL 57 -2.206 1.459 -11.528 463 HA VAL 57 HA VAL 57 -4.666 0.195 -12.646 464 HB VAL 57 HB VAL 57 -3.174 -1.558 -11.715 465 HG11 VAL 57 1HG1 VAL 57 -2.680 0.412 -9.770 466 HG12 VAL 57 2HG1 VAL 57 -2.068 -1.243 -9.777 467 HG13 VAL 57 3HG1 VAL 57 -3.564 -0.859 -8.927 468 HG21 VAL 57 3HG2 VAL 57 -5.767 -1.521 -11.510 469 HG22 VAL 57 1HG2 VAL 57 -5.479 -1.167 -9.806 470 HG23 VAL 57 2HG2 VAL 57 -4.876 -2.667 -10.509 471 H LEU 58 H LEU 58 -6.566 0.523 -11.357 472 HA LEU 58 HA LEU 58 -6.657 3.076 -9.997 473 HB2 LEU 58 2HB LEU 58 -8.604 2.208 -11.228 474 HB3 LEU 58 1HB LEU 58 -8.695 0.827 -10.137 475 HG LEU 58 HG LEU 58 -9.057 2.412 -8.232 476 HD11 LEU 58 1HD1 LEU 58 -8.385 4.535 -8.644 477 HD12 LEU 58 2HD1 LEU 58 -9.949 4.721 -9.437 478 HD13 LEU 58 3HD1 LEU 58 -8.518 4.334 -10.391 479 HD21 LEU 58 3HD2 LEU 58 -11.306 3.340 -9.591 480 HD22 LEU 58 1HD2 LEU 58 -11.175 1.808 -8.725 481 HD23 LEU 58 2HD2 LEU 58 -10.863 1.870 -10.459 482 H TRP 59 H TRP 59 -6.534 3.473 -7.797 483 HA TRP 59 HA TRP 59 -5.862 1.135 -6.107 484 HB2 TRP 59 2HB TRP 59 -5.494 4.110 -5.715 485 HB3 TRP 59 1HB TRP 59 -5.126 2.915 -4.469 486 HD1 TRP 59 HD TRP 59 -3.509 4.699 -7.181 487 HE1 TRP 59 1HE TRP 59 -1.356 3.508 -7.946 488 HE3 TRP 59 3HE TRP 59 -4.158 0.174 -4.923 489 HZ2 TRP 59 2HZ TRP 59 -0.080 0.966 -7.645 490 HZ3 TRP 59 3HZ TRP 59 -2.465 -1.608 -5.177 491 HH2 TRP 59 HH TRP 59 -0.427 -1.222 -6.532 492 H ASP 60 H ASP 60 -7.262 0.348 -4.707 493 HA ASP 60 HA ASP 60 -9.286 2.051 -3.412 494 HB2 ASP 60 2HB ASP 60 -10.308 1.166 -5.569 495 HB3 ASP 60 1HB ASP 60 -10.119 -0.456 -4.901 496 H GLU 61 H GLU 61 -10.356 0.752 -1.609 497 HA GLU 61 HA GLU 61 -8.434 -0.589 -0.040 498 HB2 GLU 61 2HB GLU 61 -11.453 -0.888 0.013 499 HB3 GLU 61 1HB GLU 61 -10.362 -1.406 1.300 500 HG2 GLU 61 2HG GLU 61 -9.549 0.927 1.527 501 HG3 GLU 61 1HG GLU 61 -10.699 1.431 0.287 502 H ASN 62 H ASN 62 -10.820 -1.917 -2.312 503 HA ASN 62 HA ASN 62 -10.232 -4.683 -1.745 504 HB2 ASN 62 2HB ASN 62 -12.301 -3.988 -2.880 505 HB3 ASN 62 1HB ASN 62 -11.360 -3.398 -4.251 506 HD21 ASN 62 1HD2 ASN 62 -10.430 -4.965 -5.706 507 HD22 ASN 62 2HD2 ASN 62 -10.827 -6.615 -5.629 508 H ASN 63 H ASN 63 -9.129 -2.472 -4.324 509 HA ASN 63 HA ASN 63 -7.459 -4.342 -5.658 510 HB2 ASN 63 2HB ASN 63 -8.186 -2.065 -6.495 511 HB3 ASN 63 1HB ASN 63 -6.939 -1.372 -5.454 512 HD21 ASN 63 1HD2 ASN 63 -4.976 -1.070 -6.510 513 HD22 ASN 63 2HD2 ASN 63 -4.418 -1.992 -7.820 514 H MET 64 H MET 64 -6.744 -2.146 -2.949 515 HA MET 64 HA MET 64 -3.936 -2.599 -2.882 516 HB2 MET 64 2HB MET 64 -5.885 -1.966 -0.653 517 HB3 MET 64 1HB MET 64 -4.135 -2.000 -0.434 518 HG2 MET 64 2HG MET 64 -3.940 -0.331 -2.304 519 HG3 MET 64 1HG MET 64 -5.697 -0.210 -2.309 520 HE1 MET 64 3HE MET 64 -4.838 2.006 -2.392 521 HE2 MET 64 1HE MET 64 -3.642 2.674 -1.272 522 HE3 MET 64 2HE MET 64 -5.358 2.985 -1.021 523 H SER 65 H SER 65 -6.617 -4.455 -1.481 524 HA SER 65 HA SER 65 -5.056 -6.240 0.084 525 HB2 SER 65 2HB SER 65 -7.602 -6.871 -1.435 526 HB3 SER 65 1HB SER 65 -6.959 -7.774 -0.066 527 HG SER 65 HG SER 65 -8.493 -6.335 0.686 528 H GLU 66 H GLU 66 -5.975 -6.351 -3.351 529 HA GLU 66 HA GLU 66 -4.741 -8.900 -3.880 530 HB2 GLU 66 2HB GLU 66 -5.406 -6.575 -5.712 531 HB3 GLU 66 1HB GLU 66 -4.906 -8.172 -6.263 532 HG2 GLU 66 2HG GLU 66 -7.331 -7.626 -4.532 533 HG3 GLU 66 1HG GLU 66 -7.377 -7.914 -6.270 534 H HIS 67 H HIS 67 -3.592 -5.575 -3.875 535 HA HIS 67 HA HIS 67 -1.177 -5.874 -5.303 536 HB2 HIS 67 2HB HIS 67 -2.168 -3.727 -4.459 537 HB3 HIS 67 1HB HIS 67 -1.600 -4.154 -2.848 538 HD1 HIS 67 1HD HIS 67 -0.027 -4.042 -6.334 539 HD2 HIS 67 2HD HIS 67 0.867 -2.992 -2.395 540 HE1 HIS 67 1HE HIS 67 2.273 -2.988 -6.371 541 HE2 HIS 67 2HE HIS 67 2.828 -2.349 -3.986 542 H LEU 68 H LEU 68 -1.736 -6.273 -1.800 543 HA LEU 68 HA LEU 68 0.983 -7.133 -1.313 544 HB2 LEU 68 2HB LEU 68 -1.543 -7.146 0.322 545 HB3 LEU 68 1HB LEU 68 -0.054 -7.876 0.921 546 HG LEU 68 HG LEU 68 1.125 -5.715 0.478 547 HD11 LEU 68 1HD1 LEU 68 -0.138 -4.633 -1.173 548 HD12 LEU 68 2HD1 LEU 68 -0.561 -3.733 0.282 549 HD13 LEU 68 3HD1 LEU 68 -1.664 -4.954 -0.353 550 HD21 LEU 68 3HD2 LEU 68 -0.921 -4.650 2.194 551 HD22 LEU 68 1HD2 LEU 68 0.677 -5.261 2.629 552 HD23 LEU 68 2HD2 LEU 68 -0.697 -6.364 2.551 553 H THR 69 H THR 69 -1.889 -8.752 -2.389 554 HA THR 69 HA THR 69 -1.355 -11.372 -1.441 555 HB THR 69 HB THR 69 -2.497 -10.668 -4.160 556 HG1 THR 69 1HG THR 69 -4.046 -11.180 -1.891 557 HG21 THR 69 3HG2 THR 69 -2.518 -13.097 -2.382 558 HG22 THR 69 1HG2 THR 69 -2.183 -12.991 -4.111 559 HG23 THR 69 2HG2 THR 69 -3.836 -12.816 -3.521 560 H ASN 70 H ASN 70 -0.008 -9.596 -4.196 561 HA ASN 70 HA ASN 70 2.276 -11.436 -4.267 562 HB2 ASN 70 2HB ASN 70 1.870 -11.738 -6.825 563 HB3 ASN 70 1HB ASN 70 0.980 -12.764 -5.700 564 HD21 ASN 70 1HD2 ASN 70 0.675 -10.048 -7.946 565 HD22 ASN 70 2HD2 ASN 70 -1.022 -9.994 -7.931 566 HA PRO 71 HA PRO 71 2.908 -6.918 -5.511 567 HB2 PRO 71 2HB PRO 71 5.053 -6.530 -3.818 568 HB3 PRO 71 1HB PRO 71 3.369 -6.162 -3.407 569 HG2 PRO 71 2HG PRO 71 5.024 -8.521 -2.680 570 HG3 PRO 71 1HG PRO 71 3.819 -7.645 -1.722 571 HD2 PRO 71 2HD PRO 71 3.274 -10.029 -2.892 572 HD3 PRO 71 1HD PRO 71 2.040 -8.778 -2.674 573 H ALA 72 H ALA 72 4.917 -9.752 -5.350 574 HA ALA 72 HA ALA 72 7.312 -8.713 -6.487 575 HB1 ALA 72 1HB ALA 72 6.104 -11.356 -6.074 576 HB2 ALA 72 2HB ALA 72 7.787 -10.850 -5.908 577 HB3 ALA 72 3HB ALA 72 7.145 -11.276 -7.494 578 H LYS 73 H LYS 73 4.530 -10.275 -8.139 579 HA LYS 73 HA LYS 73 5.630 -9.349 -10.725 580 HB2 LYS 73 2HB LYS 73 3.242 -11.096 -10.067 581 HB3 LYS 73 1HB LYS 73 3.777 -10.703 -11.701 582 HG2 LYS 73 2HG LYS 73 6.006 -11.695 -11.164 583 HG3 LYS 73 1HG LYS 73 5.374 -12.184 -9.592 584 HD2 LYS 73 2HD LYS 73 3.586 -13.480 -10.760 585 HD3 LYS 73 1HD LYS 73 4.341 -13.068 -12.301 586 HE2 LYS 73 2HE LYS 73 5.509 -14.724 -10.054 587 HE3 LYS 73 1HE LYS 73 5.179 -15.232 -11.710 588 HZ1 LYS 73 3HZ LYS 73 7.300 -14.709 -12.081 589 HZ2 LYS 73 1HZ LYS 73 7.442 -13.818 -10.645 590 HZ3 LYS 73 2HZ LYS 73 6.795 -13.088 -12.037 591 H TYR 74 H TYR 74 3.589 -8.142 -8.363 592 HA TYR 74 HA TYR 74 1.463 -7.019 -9.913 593 HB2 TYR 74 2HB TYR 74 1.630 -7.162 -7.376 594 HB3 TYR 74 1HB TYR 74 2.707 -5.768 -7.457 595 HD1 TYR 74 1HD TYR 74 1.862 -3.627 -8.512 596 HD2 TYR 74 2HD TYR 74 -0.727 -6.910 -7.552 597 HE1 TYR 74 1HE TYR 74 -0.090 -2.108 -8.611 598 HE2 TYR 74 2HE TYR 74 -2.686 -5.394 -7.655 599 HH TYR 74 HH TYR 74 -2.332 -1.958 -7.823 600 H ILE 75 H ILE 75 4.638 -5.667 -8.954 601 HA ILE 75 HA ILE 75 4.403 -3.784 -11.258 602 HB ILE 75 HB ILE 75 5.707 -2.174 -9.610 603 HG12 ILE 75 2HG1 ILE 75 3.969 -3.740 -7.686 604 HG13 ILE 75 1HG1 ILE 75 5.707 -3.977 -7.826 605 HG21 ILE 75 1HG2 ILE 75 3.815 -1.074 -10.160 606 HG22 ILE 75 2HG2 ILE 75 3.123 -1.737 -8.683 607 HG23 ILE 75 3HG2 ILE 75 2.869 -2.559 -10.221 608 HD11 ILE 75 3HD1 ILE 75 5.967 -2.288 -6.357 609 HD12 ILE 75 1HD1 ILE 75 4.255 -1.880 -6.440 610 HD13 ILE 75 2HD1 ILE 75 5.379 -1.198 -7.612 611 HA PRO 76 HA PRO 76 8.449 -6.123 -11.093 612 HB2 PRO 76 2HB PRO 76 8.000 -6.203 -14.011 613 HB3 PRO 76 1HB PRO 76 8.364 -7.529 -12.892 614 HG2 PRO 76 2HG PRO 76 5.942 -7.194 -14.026 615 HG3 PRO 76 1HG PRO 76 6.168 -7.916 -12.425 616 HD2 PRO 76 2HD PRO 76 5.205 -5.175 -13.136 617 HD3 PRO 76 1HD PRO 76 4.753 -6.211 -11.762 618 H GLY 77 H GLY 77 10.397 -5.034 -11.388 619 HA2 GLY 77 2HA GLY 77 11.910 -3.570 -12.546 620 HA3 GLY 77 1HA GLY 77 10.541 -2.894 -13.422 621 H THR 78 H THR 78 10.038 -3.210 -10.036 622 HA THR 78 HA THR 78 10.610 -0.289 -9.701 623 HB THR 78 HB THR 78 8.162 -1.031 -9.672 624 HG1 THR 78 1HG THR 78 9.529 0.652 -8.148 625 HG21 THR 78 3HG2 THR 78 9.082 -2.999 -7.994 626 HG22 THR 78 1HG2 THR 78 7.401 -2.492 -8.120 627 HG23 THR 78 2HG2 THR 78 8.424 -1.826 -6.855 628 H LYS 79 H LYS 79 11.055 0.307 -7.364 629 HA LYS 79 HA LYS 79 13.072 -1.553 -6.314 630 HB2 LYS 79 2HB LYS 79 12.214 1.195 -5.365 631 HB3 LYS 79 1HB LYS 79 13.623 0.304 -4.788 632 HG2 LYS 79 2HG LYS 79 14.507 0.256 -7.120 633 HG3 LYS 79 1HG LYS 79 13.141 1.251 -7.627 634 HD2 LYS 79 2HD LYS 79 15.157 2.042 -5.505 635 HD3 LYS 79 1HD LYS 79 15.180 2.608 -7.176 636 HE2 LYS 79 2HE LYS 79 13.907 4.318 -6.367 637 HE3 LYS 79 1HE LYS 79 12.593 3.149 -6.483 638 HZ1 LYS 79 3HZ LYS 79 14.175 3.905 -4.106 639 HZ2 LYS 79 1HZ LYS 79 13.306 2.448 -4.161 640 HZ3 LYS 79 2HZ LYS 79 12.489 3.931 -4.310 641 H MET 80 H MET 80 9.835 -1.563 -5.895 642 HA MET 80 HA MET 80 9.681 -1.641 -2.990 643 HB2 MET 80 2HB MET 80 7.729 -1.148 -4.540 644 HB3 MET 80 1HB MET 80 7.721 -2.861 -4.956 645 HG2 MET 80 2HG MET 80 6.927 -3.505 -2.891 646 HG3 MET 80 1HG MET 80 7.702 -2.164 -2.051 647 HE1 MET 80 3HE MET 80 4.486 -3.622 -3.280 648 HE2 MET 80 1HE MET 80 3.484 -2.479 -2.374 649 HE3 MET 80 2HE MET 80 4.824 -3.299 -1.581 650 H ALA 81 H ALA 81 10.565 -3.256 -1.818 651 HA ALA 81 HA ALA 81 10.745 -5.979 -3.044 652 HB1 ALA 81 1HB ALA 81 12.875 -4.728 -2.340 653 HB2 ALA 81 2HB ALA 81 12.680 -6.369 -1.725 654 HB3 ALA 81 3HB ALA 81 12.338 -4.989 -0.681 655 H PHE 82 H PHE 82 8.397 -4.864 -1.645 656 HA PHE 82 HA PHE 82 8.360 -6.185 0.980 657 HB2 PHE 82 2HB PHE 82 7.140 -4.062 0.610 658 HB3 PHE 82 1HB PHE 82 6.137 -4.860 -0.598 659 HD1 PHE 82 2HD PHE 82 7.071 -4.887 3.008 660 HD2 PHE 82 1HD PHE 82 4.272 -6.194 0.023 661 HE1 PHE 82 2HE PHE 82 5.539 -5.681 4.788 662 HE2 PHE 82 1HE PHE 82 2.740 -6.986 1.806 663 HZ PHE 82 HZ PHE 82 3.374 -6.728 4.189 664 H GLY 83 H GLY 83 7.597 -8.227 1.348 665 HA2 GLY 83 2HA GLY 83 6.799 -9.853 -0.963 666 HA3 GLY 83 1HA GLY 83 7.026 -10.437 0.687 667 H GLY 84 H GLY 84 4.823 -11.433 -0.414 668 HA2 GLY 84 2HA GLY 84 2.565 -9.613 0.208 669 HA3 GLY 84 1HA GLY 84 2.428 -11.160 -0.633 670 H LEU 85 H LEU 85 0.702 -10.624 1.460 671 HA LEU 85 HA LEU 85 1.817 -12.162 3.765 672 HB2 LEU 85 2HB LEU 85 -0.721 -10.505 3.625 673 HB3 LEU 85 1HB LEU 85 -0.014 -11.224 5.073 674 HG LEU 85 HG LEU 85 1.264 -9.091 3.337 675 HD11 LEU 85 1HD1 LEU 85 0.509 -7.557 4.830 676 HD12 LEU 85 2HD1 LEU 85 0.803 -8.619 6.208 677 HD13 LEU 85 3HD1 LEU 85 -0.675 -8.791 5.261 678 HD21 LEU 85 3HD2 LEU 85 2.249 -10.780 5.618 679 HD22 LEU 85 1HD2 LEU 85 2.845 -9.129 5.450 680 HD23 LEU 85 2HD2 LEU 85 3.093 -10.293 4.149 681 H LYS 86 H LYS 86 1.179 -14.249 3.941 682 HA LYS 86 HA LYS 86 -0.644 -15.465 2.097 683 HB2 LYS 86 2HB LYS 86 1.202 -16.643 3.348 684 HB3 LYS 86 1HB LYS 86 0.199 -16.555 4.796 685 HG2 LYS 86 2HG LYS 86 -1.631 -17.704 3.448 686 HG3 LYS 86 1HG LYS 86 -0.411 -18.010 2.214 687 HD2 LYS 86 2HD LYS 86 -0.127 -18.844 5.116 688 HD3 LYS 86 1HD LYS 86 -0.712 -19.911 3.839 689 HE2 LYS 86 2HE LYS 86 1.634 -18.817 2.789 690 HE3 LYS 86 1HE LYS 86 2.022 -19.129 4.479 691 HZ1 LYS 86 3HZ LYS 86 2.422 -21.039 2.978 692 HZ2 LYS 86 1HZ LYS 86 0.755 -21.116 2.676 693 HZ3 LYS 86 2HZ LYS 86 1.345 -21.384 4.245 694 H LYS 87 H LYS 87 -1.068 -14.305 5.438 695 HA LYS 87 HA LYS 87 -3.834 -15.285 5.499 696 HB2 LYS 87 2HB LYS 87 -2.252 -13.587 7.445 697 HB3 LYS 87 1HB LYS 87 -3.898 -14.152 7.728 698 HG2 LYS 87 2HG LYS 87 -3.077 -16.505 7.399 699 HG3 LYS 87 1HG LYS 87 -1.433 -15.866 7.326 700 HD2 LYS 87 2HD LYS 87 -1.780 -14.839 9.575 701 HD3 LYS 87 1HD LYS 87 -3.361 -15.618 9.649 702 HE2 LYS 87 2HE LYS 87 -2.323 -17.421 10.519 703 HE3 LYS 87 1HE LYS 87 -1.600 -17.671 8.931 704 HZ1 LYS 87 3HZ LYS 87 -0.457 -15.968 11.077 705 HZ2 LYS 87 1HZ LYS 87 0.247 -16.277 9.564 706 HZ3 LYS 87 2HZ LYS 87 0.068 -17.537 10.691 707 H GLU 88 H GLU 88 -5.564 -14.143 4.866 708 HA GLU 88 HA GLU 88 -5.240 -11.461 3.769 709 HB2 GLU 88 2HB GLU 88 -7.697 -13.189 4.177 710 HB3 GLU 88 1HB GLU 88 -7.689 -11.650 3.315 711 HG2 GLU 88 2HG GLU 88 -5.997 -12.563 1.741 712 HG3 GLU 88 1HG GLU 88 -6.084 -14.114 2.576 713 H LYS 89 H LYS 89 -6.581 -12.857 6.728 714 HA LYS 89 HA LYS 89 -8.065 -10.635 7.650 715 HB2 LYS 89 2HB LYS 89 -6.438 -12.643 9.236 716 HB3 LYS 89 1HB LYS 89 -7.629 -11.544 9.932 717 HG2 LYS 89 2HG LYS 89 -9.360 -12.523 8.423 718 HG3 LYS 89 1HG LYS 89 -8.160 -13.687 7.855 719 HD2 LYS 89 2HD LYS 89 -7.858 -14.457 10.214 720 HD3 LYS 89 1HD LYS 89 -9.162 -13.375 10.700 721 HE2 LYS 89 2HE LYS 89 -9.638 -15.324 8.468 722 HE3 LYS 89 1HE LYS 89 -9.691 -15.896 10.136 723 HZ1 LYS 89 3HZ LYS 89 -11.379 -13.847 8.841 724 HZ2 LYS 89 1HZ LYS 89 -11.230 -13.928 10.529 725 HZ3 LYS 89 2HZ LYS 89 -11.863 -15.249 9.670 726 H ASP 90 H ASP 90 -4.611 -11.391 8.273 727 HA ASP 90 HA ASP 90 -4.091 -8.995 9.744 728 HB2 ASP 90 2HB ASP 90 -2.263 -10.740 8.064 729 HB3 ASP 90 1HB ASP 90 -1.700 -9.450 9.123 730 H ARG 91 H ARG 91 -3.956 -9.790 6.308 731 HA ARG 91 HA ARG 91 -2.784 -7.388 5.347 732 HB2 ARG 91 2HB ARG 91 -3.153 -9.438 3.989 733 HB3 ARG 91 1HB ARG 91 -4.886 -9.117 4.014 734 HG2 ARG 91 2HG ARG 91 -4.505 -6.953 2.895 735 HG3 ARG 91 1HG ARG 91 -2.770 -7.274 2.866 736 HD2 ARG 91 2HD ARG 91 -3.644 -7.908 0.712 737 HD3 ARG 91 1HD ARG 91 -3.278 -9.394 1.585 738 HE ARG 91 HE ARG 91 -6.036 -8.516 1.943 739 HH11 ARG 91 1HH2 ARG 91 -3.763 -10.215 -0.016 740 HH12 ARG 91 2HH2 ARG 91 -4.953 -11.244 -0.740 741 HH21 ARG 91 1HH1 ARG 91 -7.604 -9.850 1.009 742 HH22 ARG 91 2HH1 ARG 91 -7.128 -11.038 -0.160 743 H ASN 92 H ASN 92 -6.179 -8.205 6.032 744 HA ASN 92 HA ASN 92 -7.378 -5.871 4.971 745 HB2 ASN 92 2HB ASN 92 -8.600 -7.890 5.827 746 HB3 ASN 92 1HB ASN 92 -8.248 -7.350 7.468 747 HD21 ASN 92 1HD2 ASN 92 -9.837 -6.241 4.435 748 HD22 ASN 92 2HD2 ASN 92 -10.959 -5.232 5.216 749 H ASP 93 H ASP 93 -6.025 -6.433 8.232 750 HA ASP 93 HA ASP 93 -6.758 -3.889 9.295 751 HB2 ASP 93 2HB ASP 93 -5.972 -5.781 10.686 752 HB3 ASP 93 1HB ASP 93 -4.357 -5.599 10.003 753 H LEU 94 H LEU 94 -3.881 -4.937 7.485 754 HA LEU 94 HA LEU 94 -2.353 -2.569 7.807 755 HB2 LEU 94 2HB LEU 94 -1.482 -4.661 6.803 756 HB3 LEU 94 1HB LEU 94 -2.480 -4.372 5.377 757 HG LEU 94 HG LEU 94 -1.316 -2.204 5.029 758 HD11 LEU 94 1HD1 LEU 94 -0.115 -3.010 7.621 759 HD12 LEU 94 2HD1 LEU 94 -0.438 -1.401 6.979 760 HD13 LEU 94 3HD1 LEU 94 0.988 -2.290 6.448 761 HD21 LEU 94 3HD2 LEU 94 1.054 -3.850 5.152 762 HD22 LEU 94 1HD2 LEU 94 0.124 -3.351 3.740 763 HD23 LEU 94 2HD2 LEU 94 -0.323 -4.814 4.618 764 H ILE 95 H ILE 95 -4.773 -3.377 5.292 765 HA ILE 95 HA ILE 95 -4.483 -0.890 3.887 766 HB ILE 95 HB ILE 95 -6.939 -2.650 4.062 767 HG12 ILE 95 2HG1 ILE 95 -4.653 -2.711 2.067 768 HG13 ILE 95 1HG1 ILE 95 -4.861 -3.872 3.380 769 HG21 ILE 95 1HG2 ILE 95 -7.846 -1.326 2.463 770 HG22 ILE 95 2HG2 ILE 95 -6.338 -1.275 1.548 771 HG23 ILE 95 3HG2 ILE 95 -6.598 -0.153 2.883 772 HD11 ILE 95 3HD1 ILE 95 -6.382 -5.038 2.196 773 HD12 ILE 95 1HD1 ILE 95 -5.991 -4.022 0.809 774 HD13 ILE 95 2HD1 ILE 95 -7.324 -3.581 1.878 775 H THR 96 H THR 96 -6.547 -1.940 6.555 776 HA THR 96 HA THR 96 -8.213 0.340 6.735 777 HB THR 96 HB THR 96 -7.179 -1.312 9.055 778 HG1 THR 96 1HG THR 96 -8.523 -2.080 6.924 779 HG21 THR 96 3HG2 THR 96 -8.712 0.924 9.137 780 HG22 THR 96 1HG2 THR 96 -8.869 -0.399 10.293 781 HG23 THR 96 2HG2 THR 96 -9.961 -0.299 8.911 782 H TYR 97 H TYR 97 -4.970 -0.266 8.103 783 HA TYR 97 HA TYR 97 -4.826 2.086 9.698 784 HB2 TYR 97 2HB TYR 97 -3.155 0.241 9.778 785 HB3 TYR 97 1HB TYR 97 -2.558 0.740 8.195 786 HD1 TYR 97 1HD TYR 97 -3.013 1.846 11.717 787 HD2 TYR 97 2HD TYR 97 -1.089 2.603 7.953 788 HE1 TYR 97 1HE TYR 97 -1.566 3.546 12.798 789 HE2 TYR 97 2HE TYR 97 0.356 4.303 9.033 790 HH TYR 97 HH TYR 97 1.159 4.939 11.173 791 H LEU 98 H LEU 98 -3.830 1.557 6.298 792 HA LEU 98 HA LEU 98 -3.145 4.334 5.866 793 HB2 LEU 98 2HB LEU 98 -3.873 2.135 3.903 794 HB3 LEU 98 1HB LEU 98 -3.238 3.714 3.443 795 HG LEU 98 HG LEU 98 -1.827 1.697 5.216 796 HD11 LEU 98 1HD1 LEU 98 -1.261 0.782 3.224 797 HD12 LEU 98 2HD1 LEU 98 -0.276 2.225 2.974 798 HD13 LEU 98 3HD1 LEU 98 -1.915 2.151 2.324 799 HD21 LEU 98 3HD2 LEU 98 -1.335 4.543 4.473 800 HD22 LEU 98 1HD2 LEU 98 0.067 3.472 4.498 801 HD23 LEU 98 2HD2 LEU 98 -0.910 3.681 5.951 802 H LYS 99 H LYS 99 -6.061 2.411 5.627 803 HA LYS 99 HA LYS 99 -7.692 4.131 4.097 804 HB2 LYS 99 2HB LYS 99 -8.302 1.826 4.962 805 HB3 LYS 99 1HB LYS 99 -8.576 2.565 6.537 806 HG2 LYS 99 2HG LYS 99 -10.222 4.117 5.457 807 HG3 LYS 99 1HG LYS 99 -10.031 3.194 3.965 808 HD2 LYS 99 2HD LYS 99 -10.773 1.150 5.114 809 HD3 LYS 99 1HD LYS 99 -10.943 2.051 6.622 810 HE2 LYS 99 2HE LYS 99 -12.353 3.340 4.412 811 HE3 LYS 99 1HE LYS 99 -12.928 1.697 4.699 812 HZ1 LYS 99 3HZ LYS 99 -13.741 2.235 6.708 813 HZ2 LYS 99 1HZ LYS 99 -13.769 3.809 6.075 814 HZ3 LYS 99 2HZ LYS 99 -12.479 3.315 7.066 815 H LYS 100 H LYS 100 -6.997 4.145 7.590 816 HA LYS 100 HA LYS 100 -8.705 6.318 8.294 817 HB2 LYS 100 2HB LYS 100 -6.067 5.427 9.491 818 HB3 LYS 100 1HB LYS 100 -7.175 6.569 10.251 819 HG2 LYS 100 2HG LYS 100 -8.950 4.838 10.233 820 HG3 LYS 100 1HG LYS 100 -7.806 3.694 9.528 821 HD2 LYS 100 2HD LYS 100 -6.337 3.929 11.482 822 HD3 LYS 100 1HD LYS 100 -7.450 5.102 12.183 823 HE2 LYS 100 2HE LYS 100 -9.207 3.140 11.805 824 HE3 LYS 100 1HE LYS 100 -7.756 2.140 11.879 825 HZ1 LYS 100 3HZ LYS 100 -9.143 3.051 14.016 826 HZ2 LYS 100 1HZ LYS 100 -7.862 4.159 13.920 827 HZ3 LYS 100 2HZ LYS 100 -7.538 2.496 14.053 828 H ALA 101 H ALA 101 -5.313 6.223 7.283 829 HA ALA 101 HA ALA 101 -4.762 9.003 7.536 830 HB1 ALA 101 1HB ALA 101 -2.789 8.562 6.390 831 HB2 ALA 101 2HB ALA 101 -3.564 7.425 5.285 832 HB3 ALA 101 3HB ALA 101 -3.209 6.941 6.943 833 H THR 102 H THR 102 -6.439 7.197 5.026 834 HA THR 102 HA THR 102 -6.340 9.182 2.979 835 HB THR 102 HB THR 102 -7.375 6.655 3.157 836 HG1 THR 102 1HG THR 102 -8.515 8.056 1.138 837 HG21 THR 102 3HG2 THR 102 -9.399 7.647 4.326 838 HG22 THR 102 1HG2 THR 102 -9.753 6.716 2.873 839 HG23 THR 102 2HG2 THR 102 -9.767 8.477 2.813 840 H GLU 103 H GLU 103 -8.396 8.824 5.818 841 HA GLU 103 HA GLU 103 -10.490 10.580 5.213 842 HB2 GLU 103 2HB GLU 103 -8.999 10.310 7.844 843 HB3 GLU 103 1HB GLU 103 -10.585 11.056 7.649 844 HG2 GLU 103 2HG GLU 103 -11.454 8.914 6.734 845 HG3 GLU 103 1HG GLU 103 -9.878 8.176 7.022 846 HHA HEC 201 HA HEC 104 4.659 2.695 -5.674 847 HHB HEC 201 HB HEC 104 1.054 0.008 -1.236 848 HHC HEC 201 HC HEC 104 6.227 -1.379 2.110 849 HHD HEC 201 HD HEC 104 9.845 1.129 -2.429 850 HMA1 HEC 201 1HMA HEC 104 -0.058 1.730 -2.260 851 HMA2 HEC 201 2HMA HEC 104 -0.361 0.674 -3.639 852 HMA3 HEC 201 3HMA HEC 104 -0.158 2.410 -3.885 853 HAA1 HEC 201 1HAA HEC 104 2.407 1.490 -6.539 854 HAA2 HEC 201 2HAA HEC 104 0.880 2.083 -5.902 855 HBA1 HEC 201 1HBA HEC 104 2.944 3.579 -7.152 856 HBA2 HEC 201 2HBA HEC 104 2.870 4.090 -5.465 857 HMB1 HEC 201 1HMB HEC 104 0.481 -1.141 1.422 858 HMB2 HEC 201 2HMB HEC 104 0.807 -1.942 -0.112 859 HMB3 HEC 201 3HMB HEC 104 1.322 -2.689 1.390 860 HAB HEC 201 HAB HEC 104 4.507 -2.038 3.305 861 HBB1 HEC 201 1HBB HEC 104 1.520 -1.578 3.366 862 HBB2 HEC 201 2HBB HEC 104 2.487 -2.121 4.728 863 HBB3 HEC 201 3HBB HEC 104 2.345 -3.139 3.301 864 HMC1 HEC 201 1HMC HEC 104 8.748 -2.694 1.492 865 HMC2 HEC 201 2HMC HEC 104 8.454 -1.535 2.788 866 HMC3 HEC 201 3HMC HEC 104 10.026 -1.587 1.988 867 HAC HEC 201 HAC HEC 104 10.958 1.107 -0.534 868 HBC1 HEC 201 1HBC HEC 104 12.354 -0.628 -0.841 869 HBC2 HEC 201 2HBC HEC 104 12.210 -1.020 0.872 870 HBC3 HEC 201 3HBC HEC 104 11.106 -1.748 -0.296 871 HMD1 HEC 201 1HMD HEC 104 9.833 2.707 -5.869 872 HMD2 HEC 201 2HMD HEC 104 9.936 1.025 -5.346 873 HMD3 HEC 201 3HMD HEC 104 10.488 2.317 -4.278 874 HAD1 HEC 201 1HAD HEC 104 8.103 4.203 -6.113 875 HAD2 HEC 201 2HAD HEC 104 6.348 4.143 -6.111 876 HBD1 HEC 201 1HBD HEC 104 8.207 3.101 -8.063 877 HBD2 HEC 201 2HBD HEC 104 7.171 1.812 -7.453 Start of MODEL 16 1 H1 THR -5 1HT THR -5 -15.956 -10.820 -3.413 2 H2 THR -5 2HT THR -5 -16.519 -10.267 -1.908 3 H3 THR -5 3HT THR -5 -15.486 -11.615 -1.990 4 HA THR -5 HA THR -5 -13.683 -10.354 -1.934 5 HB THR -5 HB THR -5 -14.000 -8.152 -3.579 6 HG1 THR -5 1HG THR -5 -15.161 -10.225 -5.025 7 HG21 THR -5 1HG2 THR -5 -13.186 -10.949 -4.411 8 HG22 THR -5 2HG2 THR -5 -12.147 -9.818 -3.545 9 HG23 THR -5 3HG2 THR -5 -12.689 -9.442 -5.181 10 H GLU -4 H GLU -4 -16.350 -9.664 -0.513 11 HA GLU -4 HA GLU -4 -16.489 -6.869 -0.059 12 HB2 GLU -4 2HB GLU -4 -17.067 -9.142 1.866 13 HB3 GLU -4 1HB GLU -4 -17.583 -7.470 2.086 14 HG2 GLU -4 2HG GLU -4 -18.832 -7.595 -0.061 15 HG3 GLU -4 1HG GLU -4 -18.368 -9.292 -0.206 16 H PHE -3 H PHE -3 -15.436 -5.512 1.424 17 HA PHE -3 HA PHE -3 -12.882 -6.595 2.495 18 HB2 PHE -3 2HB PHE -3 -12.709 -4.594 1.082 19 HB3 PHE -3 1HB PHE -3 -13.831 -3.735 2.138 20 HD1 PHE -3 2HD PHE -3 -10.505 -5.427 2.060 21 HD2 PHE -3 1HD PHE -3 -13.087 -2.681 4.123 22 HE1 PHE -3 2HE PHE -3 -8.627 -4.775 3.546 23 HE2 PHE -3 1HE PHE -3 -11.210 -2.030 5.608 24 HZ PHE -3 HZ PHE -3 -8.982 -3.078 5.321 25 H LYS -2 H LYS -2 -12.617 -6.877 4.655 26 HA LYS -2 HA LYS -2 -14.845 -6.234 6.454 27 HB2 LYS -2 2HB LYS -2 -13.445 -8.369 6.557 28 HB3 LYS -2 1HB LYS -2 -12.148 -7.373 7.219 29 HG2 LYS -2 2HG LYS -2 -13.797 -6.585 8.979 30 HG3 LYS -2 1HG LYS -2 -14.897 -7.836 8.401 31 HD2 LYS -2 2HD LYS -2 -12.068 -8.359 9.360 32 HD3 LYS -2 1HD LYS -2 -13.510 -8.575 10.352 33 HE2 LYS -2 2HE LYS -2 -14.178 -9.967 8.076 34 HE3 LYS -2 1HE LYS -2 -12.447 -10.274 8.194 35 HZ1 LYS -2 3HZ LYS -2 -13.962 -11.844 9.436 36 HZ2 LYS -2 1HZ LYS -2 -14.262 -10.568 10.512 37 HZ3 LYS -2 2HZ LYS -2 -12.684 -11.169 10.329 38 H ALA -1 H ALA -1 -14.795 -4.660 8.077 39 HA ALA -1 HA ALA -1 -13.444 -2.266 7.724 40 HB1 ALA -1 1HB ALA -1 -14.264 -3.565 10.339 41 HB2 ALA -1 2HB ALA -1 -15.229 -2.459 9.362 42 HB3 ALA -1 3HB ALA -1 -13.782 -1.876 10.183 43 H GLY 1 H GLY 1 -12.070 -5.245 8.654 44 HA2 GLY 1 2HA GLY 1 -9.829 -5.803 9.087 45 HA3 GLY 1 1HA GLY 1 -9.409 -4.127 8.731 46 H SER 2 H SER 2 -9.128 -6.293 11.105 47 HA SER 2 HA SER 2 -10.120 -4.967 13.438 48 HB2 SER 2 2HB SER 2 -8.635 -6.418 14.682 49 HB3 SER 2 1HB SER 2 -9.288 -7.346 13.333 50 HG SER 2 HG SER 2 -7.030 -7.598 13.504 51 H ALA 3 H ALA 3 -7.472 -4.283 11.340 52 HA ALA 3 HA ALA 3 -5.845 -2.595 11.400 53 HB1 ALA 3 1HB ALA 3 -6.430 -0.567 12.477 54 HB2 ALA 3 2HB ALA 3 -7.391 -1.396 13.701 55 HB3 ALA 3 3HB ALA 3 -7.977 -1.292 12.042 56 H LYS 4 H LYS 4 -5.279 -1.164 14.029 57 HA LYS 4 HA LYS 4 -3.729 -1.427 15.769 58 HB2 LYS 4 2HB LYS 4 -5.643 -2.793 16.657 59 HB3 LYS 4 1HB LYS 4 -4.898 -4.219 15.935 60 HG2 LYS 4 2HG LYS 4 -2.844 -3.797 17.268 61 HG3 LYS 4 1HG LYS 4 -3.642 -2.420 18.027 62 HD2 LYS 4 2HD LYS 4 -5.442 -3.972 18.822 63 HD3 LYS 4 1HD LYS 4 -4.502 -5.322 18.186 64 HE2 LYS 4 2HE LYS 4 -3.726 -3.412 20.400 65 HE3 LYS 4 1HE LYS 4 -3.941 -5.158 20.508 66 HZ1 LYS 4 3HZ LYS 4 -2.072 -5.404 18.948 67 HZ2 LYS 4 1HZ LYS 4 -1.616 -4.649 20.396 68 HZ3 LYS 4 2HZ LYS 4 -1.832 -3.723 18.988 69 H LYS 5 H LYS 5 -3.719 -4.832 14.723 70 HA LYS 5 HA LYS 5 -0.890 -5.041 14.730 71 HB2 LYS 5 2HB LYS 5 -2.940 -6.635 13.165 72 HB3 LYS 5 1HB LYS 5 -1.249 -7.098 13.357 73 HG2 LYS 5 2HG LYS 5 -1.569 -7.075 15.835 74 HG3 LYS 5 1HG LYS 5 -3.283 -6.746 15.578 75 HD2 LYS 5 2HD LYS 5 -3.443 -8.846 14.235 76 HD3 LYS 5 1HD LYS 5 -1.759 -9.190 14.632 77 HE2 LYS 5 2HE LYS 5 -3.202 -10.394 16.187 78 HE3 LYS 5 1HE LYS 5 -2.356 -9.112 17.057 79 HZ1 LYS 5 3HZ LYS 5 -4.766 -8.123 15.959 80 HZ2 LYS 5 1HZ LYS 5 -4.281 -8.186 17.583 81 HZ3 LYS 5 2HZ LYS 5 -5.089 -9.510 16.887 82 H GLY 6 H GLY 6 -3.124 -4.349 12.023 83 HA2 GLY 6 2HA GLY 6 -1.162 -4.288 9.968 84 HA3 GLY 6 1HA GLY 6 -2.676 -3.385 9.929 85 H ALA 7 H ALA 7 -2.098 -1.860 12.360 86 HA ALA 7 HA ALA 7 -0.779 0.379 11.206 87 HB1 ALA 7 1HB ALA 7 -2.339 0.316 13.251 88 HB2 ALA 7 2HB ALA 7 -0.955 1.404 13.343 89 HB3 ALA 7 3HB ALA 7 -0.912 -0.149 14.176 90 H THR 8 H THR 8 0.432 -2.062 13.512 91 HA THR 8 HA THR 8 3.104 -0.943 13.556 92 HB THR 8 HB THR 8 3.696 -2.971 14.770 93 HG1 THR 8 1HG THR 8 2.430 -4.728 14.753 94 HG21 THR 8 3HG2 THR 8 2.113 -1.136 15.752 95 HG22 THR 8 1HG2 THR 8 2.333 -2.643 16.640 96 HG23 THR 8 2HG2 THR 8 0.888 -2.401 15.661 97 H LEU 9 H LEU 9 1.465 -3.482 11.699 98 HA LEU 9 HA LEU 9 3.752 -4.604 10.429 99 HB2 LEU 9 2HB LEU 9 1.393 -5.486 10.261 100 HB3 LEU 9 1HB LEU 9 1.027 -4.149 9.169 101 HG LEU 9 HG LEU 9 3.166 -5.031 7.885 102 HD11 LEU 9 1HD1 LEU 9 3.730 -7.263 8.205 103 HD12 LEU 9 2HD1 LEU 9 2.163 -7.664 8.907 104 HD13 LEU 9 3HD1 LEU 9 3.357 -6.783 9.859 105 HD21 LEU 9 3HD2 LEU 9 0.443 -6.369 7.839 106 HD22 LEU 9 1HD2 LEU 9 1.652 -6.531 6.565 107 HD23 LEU 9 2HD2 LEU 9 0.938 -4.957 6.906 108 H PHE 10 H PHE 10 1.766 -1.785 9.671 109 HA PHE 10 HA PHE 10 3.063 -1.049 7.225 110 HB2 PHE 10 2HB PHE 10 0.880 -0.125 8.059 111 HB3 PHE 10 1HB PHE 10 1.769 0.759 9.295 112 HD1 PHE 10 2HD PHE 10 1.250 0.396 5.635 113 HD2 PHE 10 1HD PHE 10 2.989 2.744 8.784 114 HE1 PHE 10 2HE PHE 10 1.706 2.225 4.022 115 HE2 PHE 10 1HE PHE 10 3.435 4.570 7.170 116 HZ PHE 10 HZ PHE 10 2.806 4.309 4.795 117 H LYS 11 H LYS 11 3.572 -0.061 10.600 118 HA LYS 11 HA LYS 11 5.750 1.715 10.133 119 HB2 LYS 11 2HB LYS 11 4.381 1.458 12.267 120 HB3 LYS 11 1HB LYS 11 5.341 0.018 12.601 121 HG2 LYS 11 2HG LYS 11 7.410 1.376 12.471 122 HG3 LYS 11 1HG LYS 11 6.432 2.818 12.199 123 HD2 LYS 11 2HD LYS 11 5.264 2.342 14.380 124 HD3 LYS 11 1HD LYS 11 6.438 1.056 14.664 125 HE2 LYS 11 2HE LYS 11 6.989 4.018 14.370 126 HE3 LYS 11 1HE LYS 11 7.268 3.010 15.790 127 HZ1 LYS 11 3HZ LYS 11 9.345 3.045 14.887 128 HZ2 LYS 11 1HZ LYS 11 8.787 3.166 13.290 129 HZ3 LYS 11 2HZ LYS 11 8.724 1.673 14.098 130 H THR 12 H THR 12 5.637 -1.769 10.734 131 HA THR 12 HA THR 12 8.485 -2.095 10.996 132 HB THR 12 HB THR 12 8.031 -4.478 10.834 133 HG1 THR 12 1HG THR 12 6.616 -4.626 9.179 134 HG21 THR 12 3HG2 THR 12 7.276 -4.242 12.938 135 HG22 THR 12 1HG2 THR 12 5.642 -4.120 12.285 136 HG23 THR 12 2HG2 THR 12 6.592 -2.661 12.559 137 H ARG 13 H ARG 13 6.335 -2.127 8.168 138 HA ARG 13 HA ARG 13 8.775 -2.197 6.489 139 HB2 ARG 13 2HB ARG 13 6.498 -4.178 6.252 140 HB3 ARG 13 1HB ARG 13 7.735 -3.952 5.016 141 HG2 ARG 13 2HG ARG 13 9.480 -4.479 6.731 142 HG3 ARG 13 1HG ARG 13 8.192 -4.820 7.887 143 HD2 ARG 13 2HD ARG 13 8.864 -6.926 6.930 144 HD3 ARG 13 1HD ARG 13 7.290 -6.518 6.249 145 HE ARG 13 HE ARG 13 9.406 -5.524 4.562 146 HH11 ARG 13 1HH2 ARG 13 7.713 -8.351 5.576 147 HH12 ARG 13 2HH2 ARG 13 7.988 -9.208 4.096 148 HH21 ARG 13 1HH1 ARG 13 9.773 -6.627 2.624 149 HH22 ARG 13 2HH1 ARG 13 9.153 -8.231 2.424 150 H CYS 14 H CYS 14 7.367 0.118 6.704 151 HA CYS 14 HA CYS 14 6.503 0.560 4.004 152 HB2 CYS 14 2HB CYS 14 4.539 -0.707 5.239 153 HB3 CYS 14 1HB CYS 14 4.207 0.899 5.882 154 H LEU 15 H LEU 15 5.901 1.777 7.316 155 HA LEU 15 HA LEU 15 5.624 4.503 6.629 156 HB2 LEU 15 2HB LEU 15 5.174 3.550 8.894 157 HB3 LEU 15 1HB LEU 15 6.913 3.400 9.139 158 HG LEU 15 HG LEU 15 7.011 5.934 8.599 159 HD11 LEU 15 1HD1 LEU 15 4.802 6.305 7.734 160 HD12 LEU 15 2HD1 LEU 15 4.861 7.087 9.312 161 HD13 LEU 15 3HD1 LEU 15 4.059 5.527 9.133 162 HD21 LEU 15 3HD2 LEU 15 5.599 5.037 11.123 163 HD22 LEU 15 1HD2 LEU 15 6.591 6.481 10.930 164 HD23 LEU 15 2HD2 LEU 15 7.333 4.884 10.845 165 H GLN 16 H GLN 16 8.563 2.604 7.177 166 HA GLN 16 HA GLN 16 10.430 4.722 7.258 167 HB2 GLN 16 2HB GLN 16 10.718 1.961 6.031 168 HB3 GLN 16 1HB GLN 16 12.061 3.055 6.366 169 HG2 GLN 16 2HG GLN 16 11.383 3.088 8.769 170 HG3 GLN 16 1HG GLN 16 10.136 1.896 8.401 171 HE21 GLN 16 1HE2 GLN 16 12.600 1.151 6.320 172 HE22 GLN 16 2HE2 GLN 16 13.444 0.019 7.264 173 H CYS 17 H CYS 17 8.767 3.254 4.512 174 HA CYS 17 HA CYS 17 10.310 4.997 2.660 175 HB2 CYS 17 2HB CYS 17 8.417 2.695 2.159 176 HB3 CYS 17 1HB CYS 17 9.193 3.636 0.885 177 H HIS 18 H HIS 18 6.920 4.219 3.512 178 HA HIS 18 HA HIS 18 6.080 6.640 1.986 179 HB2 HIS 18 2HB HIS 18 4.556 4.237 3.029 180 HB3 HIS 18 1HB HIS 18 3.757 5.660 2.352 181 HD1 HIS 18 1HD HIS 18 4.438 6.239 -0.216 182 HD2 HIS 18 2HD HIS 18 5.503 2.454 1.155 183 HE1 HIS 18 1HE HIS 18 4.922 4.838 -2.280 184 H THR 19 H THR 19 5.693 8.460 3.135 185 HA THR 19 HA THR 19 5.527 8.354 6.060 186 HB THR 19 HB THR 19 5.527 10.784 5.945 187 HG1 THR 19 1HG THR 19 5.689 11.463 3.526 188 HG21 THR 19 3HG2 THR 19 7.406 10.588 3.794 189 HG22 THR 19 1HG2 THR 19 7.499 9.112 4.755 190 HG23 THR 19 2HG2 THR 19 7.730 10.682 5.524 191 H VAL 20 H VAL 20 3.334 8.588 3.367 192 HA VAL 20 HA VAL 20 0.990 8.561 3.317 193 HB VAL 20 HB VAL 20 0.922 8.266 6.304 194 HG11 VAL 20 1HG1 VAL 20 -0.576 6.718 4.193 195 HG12 VAL 20 2HG1 VAL 20 -1.109 8.322 4.698 196 HG13 VAL 20 3HG1 VAL 20 -1.031 7.010 5.872 197 HG21 VAL 20 3HG2 VAL 20 2.203 6.457 4.323 198 HG22 VAL 20 1HG2 VAL 20 1.140 5.695 5.506 199 HG23 VAL 20 2HG2 VAL 20 2.525 6.643 6.046 200 H GLU 21 H GLU 21 2.812 10.884 4.825 201 HA GLU 21 HA GLU 21 0.457 12.489 5.683 202 HB2 GLU 21 2HB GLU 21 3.431 13.022 5.971 203 HB3 GLU 21 1HB GLU 21 2.144 14.043 6.619 204 HG2 GLU 21 2HG GLU 21 1.318 12.114 7.954 205 HG3 GLU 21 1HG GLU 21 2.669 11.150 7.356 206 H LYS 22 H LYS 22 -0.413 13.858 4.213 207 HA LYS 22 HA LYS 22 0.858 14.400 1.677 208 HB2 LYS 22 2HB LYS 22 -1.067 15.789 1.216 209 HB3 LYS 22 1HB LYS 22 -1.633 14.356 2.073 210 HG2 LYS 22 2HG LYS 22 -1.528 15.668 4.213 211 HG3 LYS 22 1HG LYS 22 -1.144 17.102 3.261 212 HD2 LYS 22 2HD LYS 22 -3.272 16.636 1.935 213 HD3 LYS 22 1HD LYS 22 -3.680 15.457 3.181 214 HE2 LYS 22 2HE LYS 22 -4.722 17.346 4.038 215 HE3 LYS 22 1HE LYS 22 -3.142 17.475 4.811 216 HZ1 LYS 22 3HZ LYS 22 -4.270 19.035 2.609 217 HZ2 LYS 22 1HZ LYS 22 -2.599 18.747 2.596 218 HZ3 LYS 22 2HZ LYS 22 -3.312 19.541 3.919 219 H GLY 23 H GLY 23 0.438 16.265 4.671 220 HA2 GLY 23 2HA GLY 23 1.483 18.736 3.727 221 HA3 GLY 23 1HA GLY 23 1.526 18.209 5.410 222 H GLY 24 H GLY 24 3.097 15.832 4.940 223 HA2 GLY 24 2HA GLY 24 5.732 17.042 4.977 224 HA3 GLY 24 1HA GLY 24 5.391 15.313 5.087 225 HA PRO 25 HA PRO 25 6.736 16.651 0.682 226 HB2 PRO 25 2HB PRO 25 9.430 16.271 0.790 227 HB3 PRO 25 1HB PRO 25 8.668 17.821 1.194 228 HG2 PRO 25 2HG PRO 25 9.669 15.677 3.005 229 HG3 PRO 25 1HG PRO 25 9.816 17.436 3.148 230 HD2 PRO 25 2HD PRO 25 7.957 15.982 4.538 231 HD3 PRO 25 1HD PRO 25 7.707 17.677 4.060 232 H HIS 26 H HIS 26 8.864 15.071 -0.399 233 HA HIS 26 HA HIS 26 7.740 12.331 0.008 234 HB2 HIS 26 2HB HIS 26 9.169 13.539 -2.380 235 HB3 HIS 26 1HB HIS 26 8.626 11.864 -2.274 236 HD1 HIS 26 1HD HIS 26 6.010 11.469 -2.160 237 HD2 HIS 26 2HD HIS 26 7.141 15.399 -2.974 238 HE1 HIS 26 1HE HIS 26 3.944 12.639 -3.042 239 HE2 HIS 26 2HE HIS 26 4.619 15.037 -3.529 240 H LYS 27 H LYS 27 9.135 10.691 0.598 241 HA LYS 27 HA LYS 27 11.999 11.463 0.990 242 HB2 LYS 27 2HB LYS 27 10.532 10.825 3.008 243 HB3 LYS 27 1HB LYS 27 10.573 9.183 2.370 244 HG2 LYS 27 2HG LYS 27 13.060 9.250 2.418 245 HG3 LYS 27 1HG LYS 27 12.984 10.864 3.123 246 HD2 LYS 27 2HD LYS 27 11.639 9.909 5.013 247 HD3 LYS 27 1HD LYS 27 11.915 8.302 4.340 248 HE2 LYS 27 2HE LYS 27 13.872 8.232 5.451 249 HE3 LYS 27 1HE LYS 27 14.446 9.552 4.433 250 HZ1 LYS 27 3HZ LYS 27 12.705 10.244 6.670 251 HZ2 LYS 27 1HZ LYS 27 14.023 11.090 6.021 252 HZ3 LYS 27 2HZ LYS 27 14.290 9.761 7.046 253 H VAL 28 H VAL 28 11.865 8.255 1.526 254 HA VAL 28 HA VAL 28 13.263 7.554 -0.866 255 HB VAL 28 HB VAL 28 11.833 5.824 1.172 256 HG11 VAL 28 1HG1 VAL 28 12.039 4.552 -0.874 257 HG12 VAL 28 2HG1 VAL 28 13.309 4.008 0.225 258 HG13 VAL 28 3HG1 VAL 28 13.700 5.101 -1.103 259 HG21 VAL 28 3HG2 VAL 28 14.134 7.369 1.389 260 HG22 VAL 28 1HG2 VAL 28 14.757 5.763 1.009 261 HG23 VAL 28 2HG2 VAL 28 13.719 5.996 2.416 262 H GLY 29 H GLY 29 9.865 7.166 0.094 263 HA2 GLY 29 2HA GLY 29 9.236 6.575 -2.771 264 HA3 GLY 29 1HA GLY 29 8.442 5.702 -1.460 265 HA PRO 30 HA PRO 30 6.292 9.828 -2.689 266 HB2 PRO 30 2HB PRO 30 4.028 8.588 -3.731 267 HB3 PRO 30 1HB PRO 30 5.369 9.234 -4.690 268 HG2 PRO 30 2HG PRO 30 4.784 6.438 -3.903 269 HG3 PRO 30 1HG PRO 30 5.509 7.068 -5.390 270 HD2 PRO 30 2HD PRO 30 6.989 5.880 -3.435 271 HD3 PRO 30 1HD PRO 30 7.635 7.172 -4.472 272 H ASN 31 H ASN 31 4.666 10.708 -1.349 273 HA ASN 31 HA ASN 31 3.984 9.240 1.035 274 HB2 ASN 31 2HB ASN 31 2.850 11.819 -0.095 275 HB3 ASN 31 1HB ASN 31 2.522 11.204 1.525 276 HD21 ASN 31 1HD2 ASN 31 5.653 10.276 0.807 277 HD22 ASN 31 2HD2 ASN 31 6.488 11.584 1.496 278 H LEU 32 H LEU 32 1.970 8.312 1.614 279 HA LEU 32 HA LEU 32 0.223 7.673 -0.712 280 HB2 LEU 32 2HB LEU 32 1.312 5.895 0.854 281 HB3 LEU 32 1HB LEU 32 0.076 6.385 2.010 282 HG LEU 32 HG LEU 32 -1.645 5.980 0.189 283 HD11 LEU 32 1HD1 LEU 32 -0.593 5.870 -1.862 284 HD12 LEU 32 2HD1 LEU 32 -0.579 4.153 -1.464 285 HD13 LEU 32 3HD1 LEU 32 0.862 5.129 -1.200 286 HD21 LEU 32 3HD2 LEU 32 -1.297 4.372 2.000 287 HD22 LEU 32 1HD2 LEU 32 0.065 3.658 1.135 288 HD23 LEU 32 2HD2 LEU 32 -1.570 3.504 0.488 289 H HIS 33 H HIS 33 -1.635 8.867 -0.856 290 HA HIS 33 HA HIS 33 -3.195 9.403 1.584 291 HB2 HIS 33 2HB HIS 33 -1.617 11.325 1.441 292 HB3 HIS 33 1HB HIS 33 -2.235 11.684 -0.172 293 HD1 HIS 33 1HD HIS 33 -3.692 11.161 3.329 294 HD2 HIS 33 2HD HIS 33 -4.340 13.463 -0.090 295 HE1 HIS 33 1HE HIS 33 -5.617 12.718 3.866 296 HE2 HIS 33 2HE HIS 33 -6.019 14.124 1.794 297 H GLY 34 H GLY 34 -5.361 9.358 1.110 298 HA2 GLY 34 2HA GLY 34 -7.251 8.917 -0.232 299 HA3 GLY 34 1HA GLY 34 -6.717 10.368 -1.083 300 H ILE 35 H ILE 35 -4.450 7.816 -1.093 301 HA ILE 35 HA ILE 35 -4.372 7.593 -3.916 302 HB ILE 35 HB ILE 35 -2.616 6.848 -2.202 303 HG12 ILE 35 2HG1 ILE 35 -2.090 4.735 -3.701 304 HG13 ILE 35 1HG1 ILE 35 -3.446 5.330 -4.659 305 HG21 ILE 35 1HG2 ILE 35 -4.163 4.259 -2.309 306 HG22 ILE 35 2HG2 ILE 35 -4.356 5.410 -0.988 307 HG23 ILE 35 3HG2 ILE 35 -2.788 4.658 -1.280 308 HD11 ILE 35 3HD1 ILE 35 -1.065 7.031 -3.865 309 HD12 ILE 35 1HD1 ILE 35 -2.359 7.473 -4.978 310 HD13 ILE 35 2HD1 ILE 35 -1.213 6.208 -5.417 311 H PHE 36 H PHE 36 -6.478 6.102 -1.588 312 HA PHE 36 HA PHE 36 -7.263 3.802 -3.091 313 HB2 PHE 36 2HB PHE 36 -8.769 5.486 -1.068 314 HB3 PHE 36 1HB PHE 36 -9.354 3.950 -1.699 315 HD1 PHE 36 2HD PHE 36 -6.710 5.575 0.316 316 HD2 PHE 36 1HD PHE 36 -8.377 1.850 -1.019 317 HE1 PHE 36 2HE PHE 36 -5.334 4.361 1.987 318 HE2 PHE 36 1HE PHE 36 -7.000 0.638 0.650 319 HZ PHE 36 HZ PHE 36 -5.481 1.891 2.151 320 H GLY 37 H GLY 37 -8.711 3.591 -4.774 321 HA2 GLY 37 2HA GLY 37 -10.232 4.213 -6.451 322 HA3 GLY 37 1HA GLY 37 -10.708 5.566 -5.424 323 H ARG 38 H ARG 38 -7.387 5.000 -6.483 324 HA ARG 38 HA ARG 38 -7.632 7.383 -8.276 325 HB2 ARG 38 2HB ARG 38 -5.296 6.735 -6.459 326 HB3 ARG 38 1HB ARG 38 -5.430 8.134 -7.521 327 HG2 ARG 38 2HG ARG 38 -7.343 7.529 -5.247 328 HG3 ARG 38 1HG ARG 38 -5.989 8.650 -5.135 329 HD2 ARG 38 2HD ARG 38 -7.013 9.837 -7.173 330 HD3 ARG 38 1HD ARG 38 -8.463 8.888 -6.849 331 HE ARG 38 HE ARG 38 -7.580 11.178 -5.322 332 HH11 ARG 38 1HH2 ARG 38 -9.097 8.085 -5.185 333 HH12 ARG 38 2HH2 ARG 38 -10.028 8.456 -3.772 334 HH21 ARG 38 1HH1 ARG 38 -8.787 11.681 -3.477 335 HH22 ARG 38 2HH1 ARG 38 -9.852 10.490 -2.804 336 H HIS 39 H HIS 39 -6.207 7.405 -10.089 337 HA HIS 39 HA HIS 39 -5.160 4.705 -10.796 338 HB2 HIS 39 2HB HIS 39 -6.115 6.998 -12.527 339 HB3 HIS 39 1HB HIS 39 -5.320 5.561 -13.167 340 HD1 HIS 39 1HD HIS 39 -8.513 6.715 -11.554 341 HD2 HIS 39 2HD HIS 39 -6.899 3.195 -13.110 342 HE1 HIS 39 1HE HIS 39 -10.428 5.065 -11.734 343 HE2 HIS 39 2HE HIS 39 -9.458 2.921 -12.678 344 H SER 40 H SER 40 -3.044 4.508 -11.507 345 HA SER 40 HA SER 40 -0.768 5.057 -11.577 346 HB2 SER 40 2HB SER 40 -0.353 7.244 -12.865 347 HB3 SER 40 1HB SER 40 -1.261 5.987 -13.698 348 HG SER 40 HG SER 40 -2.109 8.428 -12.628 349 H GLY 41 H GLY 41 0.855 6.897 -11.027 350 HA2 GLY 41 2HA GLY 41 0.501 7.609 -8.284 351 HA3 GLY 41 1HA GLY 41 1.778 8.221 -9.337 352 H GLN 42 H GLN 42 -1.705 8.676 -8.664 353 HA GLN 42 HA GLN 42 -1.968 11.173 -10.004 354 HB2 GLN 42 2HB GLN 42 -3.861 9.765 -9.119 355 HB3 GLN 42 1HB GLN 42 -3.447 10.328 -7.499 356 HG2 GLN 42 2HG GLN 42 -3.705 12.692 -8.343 357 HG3 GLN 42 1HG GLN 42 -4.330 12.022 -9.851 358 HE21 GLN 42 1HE2 GLN 42 -6.548 11.580 -9.901 359 HE22 GLN 42 2HE2 GLN 42 -7.548 11.504 -8.531 360 H ALA 43 H ALA 43 -0.831 10.389 -6.743 361 HA ALA 43 HA ALA 43 -0.867 12.989 -5.628 362 HB1 ALA 43 1HB ALA 43 1.352 11.976 -4.475 363 HB2 ALA 43 2HB ALA 43 0.664 10.489 -5.131 364 HB3 ALA 43 3HB ALA 43 -0.275 11.476 -4.010 365 H GLU 44 H GLU 44 1.459 11.475 -7.812 366 HA GLU 44 HA GLU 44 3.378 12.367 -8.849 367 HB2 GLU 44 2HB GLU 44 1.578 14.810 -8.792 368 HB3 GLU 44 1HB GLU 44 3.005 14.624 -9.813 369 HG2 GLU 44 2HG GLU 44 1.974 12.612 -10.848 370 HG3 GLU 44 1HG GLU 44 0.528 12.877 -9.875 371 H GLY 45 H GLY 45 4.794 14.609 -8.748 372 HA2 GLY 45 2HA GLY 45 5.850 16.228 -7.307 373 HA3 GLY 45 1HA GLY 45 5.019 15.502 -5.928 374 H TYR 46 H TYR 46 5.920 12.834 -7.337 375 HA TYR 46 HA TYR 46 8.766 12.884 -6.455 376 HB2 TYR 46 2HB TYR 46 7.366 12.017 -4.587 377 HB3 TYR 46 1HB TYR 46 6.742 10.768 -5.663 378 HD1 TYR 46 1HD TYR 46 9.883 12.113 -4.163 379 HD2 TYR 46 2HD TYR 46 7.957 8.778 -6.063 380 HE1 TYR 46 1HE TYR 46 11.855 10.693 -3.671 381 HE2 TYR 46 2HE TYR 46 9.932 7.356 -5.575 382 HH TYR 46 HH TYR 46 12.894 8.711 -4.295 383 H SER 47 H SER 47 10.087 11.408 -7.611 384 HA SER 47 HA SER 47 9.245 10.753 -10.257 385 HB2 SER 47 2HB SER 47 11.524 9.548 -8.665 386 HB3 SER 47 1HB SER 47 11.346 9.494 -10.415 387 HG SER 47 HG SER 47 12.204 11.520 -8.776 388 H TYR 48 H TYR 48 8.650 8.755 -11.179 389 HA TYR 48 HA TYR 48 7.833 6.639 -9.223 390 HB2 TYR 48 2HB TYR 48 6.444 7.739 -11.658 391 HB3 TYR 48 1HB TYR 48 6.128 6.088 -11.127 392 HD1 TYR 48 1HD TYR 48 6.100 9.642 -10.003 393 HD2 TYR 48 2HD TYR 48 4.718 5.637 -9.278 394 HE1 TYR 48 1HE TYR 48 4.550 10.491 -8.259 395 HE2 TYR 48 2HE TYR 48 3.179 6.490 -7.538 396 HH TYR 48 HH TYR 48 2.269 8.302 -6.621 397 H THR 49 H THR 49 8.355 4.514 -9.772 398 HA THR 49 HA THR 49 10.496 4.153 -11.694 399 HB THR 49 HB THR 49 8.845 2.048 -10.262 400 HG1 THR 49 1HG THR 49 10.169 2.313 -8.606 401 HG21 THR 49 3HG2 THR 49 10.047 0.702 -11.635 402 HG22 THR 49 1HG2 THR 49 11.406 1.098 -10.581 403 HG23 THR 49 2HG2 THR 49 11.159 1.998 -12.077 404 H ASP 50 H ASP 50 10.377 3.146 -13.726 405 HA ASP 50 HA ASP 50 8.132 3.529 -15.335 406 HB2 ASP 50 2HB ASP 50 10.295 1.431 -15.552 407 HB3 ASP 50 1HB ASP 50 9.122 1.754 -16.828 408 H ALA 51 H ALA 51 8.893 0.803 -13.241 409 HA ALA 51 HA ALA 51 7.098 -1.139 -14.105 410 HB1 ALA 51 1HB ALA 51 6.947 -1.857 -11.739 411 HB2 ALA 51 2HB ALA 51 7.658 -0.322 -11.239 412 HB3 ALA 51 3HB ALA 51 8.606 -1.463 -12.192 413 H ASN 52 H ASN 52 6.202 1.012 -11.381 414 HA ASN 52 HA ASN 52 3.426 0.527 -11.598 415 HB2 ASN 52 2HB ASN 52 4.465 1.588 -9.624 416 HB3 ASN 52 1HB ASN 52 4.771 3.043 -10.576 417 HD21 ASN 52 1HD2 ASN 52 2.042 0.910 -9.574 418 HD22 ASN 52 2HD2 ASN 52 0.881 2.147 -9.548 419 H ILE 53 H ILE 53 5.382 3.089 -13.142 420 HA ILE 53 HA ILE 53 3.203 4.555 -14.215 421 HB ILE 53 HB ILE 53 5.943 4.153 -15.444 422 HG12 ILE 53 2HG1 ILE 53 4.988 6.272 -13.490 423 HG13 ILE 53 1HG1 ILE 53 5.972 4.879 -13.040 424 HG21 ILE 53 1HG2 ILE 53 5.500 6.375 -16.416 425 HG22 ILE 53 2HG2 ILE 53 3.905 6.383 -15.663 426 HG23 ILE 53 3HG2 ILE 53 4.280 5.207 -16.924 427 HD11 ILE 53 3HD1 ILE 53 6.989 7.304 -13.835 428 HD12 ILE 53 1HD1 ILE 53 7.021 6.389 -15.342 429 HD13 ILE 53 2HD1 ILE 53 7.864 5.775 -13.921 430 H LYS 54 H LYS 54 5.129 1.923 -15.703 431 HA LYS 54 HA LYS 54 3.615 1.856 -18.133 432 HB2 LYS 54 2HB LYS 54 5.856 0.779 -17.802 433 HB3 LYS 54 1HB LYS 54 5.071 -0.451 -16.811 434 HG2 LYS 54 2HG LYS 54 3.604 -1.032 -18.729 435 HG3 LYS 54 1HG LYS 54 4.456 0.155 -19.718 436 HD2 LYS 54 2HD LYS 54 6.593 -1.080 -19.247 437 HD3 LYS 54 1HD LYS 54 5.640 -2.324 -18.437 438 HE2 LYS 54 2HE LYS 54 6.123 -2.911 -20.807 439 HE3 LYS 54 1HE LYS 54 4.393 -2.756 -20.498 440 HZ1 LYS 54 3HZ LYS 54 5.417 -1.594 -22.540 441 HZ2 LYS 54 1HZ LYS 54 5.944 -0.430 -21.424 442 HZ3 LYS 54 2HZ LYS 54 4.283 -0.750 -21.595 443 H LYS 55 H LYS 55 3.408 -0.236 -15.228 444 HA LYS 55 HA LYS 55 1.061 -1.624 -16.147 445 HB2 LYS 55 2HB LYS 55 2.609 -2.477 -14.374 446 HB3 LYS 55 1HB LYS 55 1.996 -1.226 -13.291 447 HG2 LYS 55 2HG LYS 55 -0.299 -2.134 -13.571 448 HG3 LYS 55 1HG LYS 55 0.353 -3.419 -14.591 449 HD2 LYS 55 2HD LYS 55 1.828 -4.107 -12.684 450 HD3 LYS 55 1HD LYS 55 1.010 -2.913 -11.675 451 HE2 LYS 55 2HE LYS 55 -0.289 -4.758 -11.188 452 HE3 LYS 55 1HE LYS 55 -1.159 -4.163 -12.601 453 HZ1 LYS 55 3HZ LYS 55 -0.296 -5.789 -13.936 454 HZ2 LYS 55 1HZ LYS 55 -0.409 -6.634 -12.469 455 HZ3 LYS 55 2HZ LYS 55 1.089 -6.014 -12.977 456 H ASN 56 H ASN 56 1.504 1.067 -13.853 457 HA ASN 56 HA ASN 56 -0.127 2.424 -12.815 458 HB2 ASN 56 2HB ASN 56 -0.490 2.588 -15.780 459 HB3 ASN 56 1HB ASN 56 -1.662 3.409 -14.748 460 HD21 ASN 56 1HD2 ASN 56 0.258 4.075 -12.606 461 HD22 ASN 56 2HD2 ASN 56 1.293 5.265 -13.225 462 H VAL 57 H VAL 57 -1.400 1.164 -11.512 463 HA VAL 57 HA VAL 57 -3.890 0.078 -12.755 464 HB VAL 57 HB VAL 57 -2.416 -1.737 -12.017 465 HG11 VAL 57 1HG1 VAL 57 -1.604 -1.904 -9.789 466 HG12 VAL 57 2HG1 VAL 57 -2.675 -0.623 -9.220 467 HG13 VAL 57 3HG1 VAL 57 -1.304 -0.231 -10.258 468 HG21 VAL 57 3HG2 VAL 57 -4.058 -2.945 -10.871 469 HG22 VAL 57 1HG2 VAL 57 -5.016 -1.648 -11.588 470 HG23 VAL 57 2HG2 VAL 57 -4.536 -1.557 -9.894 471 H LEU 58 H LEU 58 -5.812 0.313 -11.540 472 HA LEU 58 HA LEU 58 -6.011 2.707 -9.972 473 HB2 LEU 58 2HB LEU 58 -7.912 1.865 -11.265 474 HB3 LEU 58 1HB LEU 58 -7.934 0.381 -10.319 475 HG LEU 58 HG LEU 58 -8.392 1.783 -8.267 476 HD11 LEU 58 1HD1 LEU 58 -8.068 4.001 -8.442 477 HD12 LEU 58 2HD1 LEU 58 -9.506 4.068 -9.459 478 HD13 LEU 58 3HD1 LEU 58 -7.914 3.897 -10.196 479 HD21 LEU 58 3HD2 LEU 58 -10.421 0.963 -8.850 480 HD22 LEU 58 1HD2 LEU 58 -10.164 1.309 -10.560 481 HD23 LEU 58 2HD2 LEU 58 -10.736 2.580 -9.479 482 H TRP 59 H TRP 59 -5.871 2.993 -7.786 483 HA TRP 59 HA TRP 59 -5.193 0.597 -6.168 484 HB2 TRP 59 2HB TRP 59 -4.860 3.566 -5.661 485 HB3 TRP 59 1HB TRP 59 -4.498 2.328 -4.458 486 HD1 TRP 59 HD TRP 59 -2.956 4.175 -7.228 487 HE1 TRP 59 1HE TRP 59 -0.719 3.089 -7.926 488 HE3 TRP 59 3HE TRP 59 -3.330 -0.267 -4.754 489 HZ2 TRP 59 2HZ TRP 59 0.717 0.651 -7.486 490 HZ3 TRP 59 3HZ TRP 59 -1.520 -1.945 -4.904 491 HH2 TRP 59 HH TRP 59 0.504 -1.494 -6.260 492 H ASP 60 H ASP 60 -6.586 -0.179 -4.689 493 HA ASP 60 HA ASP 60 -8.648 1.512 -3.462 494 HB2 ASP 60 2HB ASP 60 -9.612 0.714 -5.679 495 HB3 ASP 60 1HB ASP 60 -9.501 -0.928 -5.045 496 H GLU 61 H GLU 61 -9.846 0.180 -1.757 497 HA GLU 61 HA GLU 61 -8.042 -1.236 -0.120 498 HB2 GLU 61 2HB GLU 61 -11.062 -1.497 -0.263 499 HB3 GLU 61 1HB GLU 61 -10.061 -2.088 1.063 500 HG2 GLU 61 2HG GLU 61 -9.231 0.224 1.440 501 HG3 GLU 61 1HG GLU 61 -10.300 0.797 0.159 502 H ASN 62 H ASN 62 -10.305 -2.472 -2.567 503 HA ASN 62 HA ASN 62 -9.761 -5.255 -2.062 504 HB2 ASN 62 2HB ASN 62 -11.746 -4.492 -3.317 505 HB3 ASN 62 1HB ASN 62 -10.699 -3.897 -4.607 506 HD21 ASN 62 1HD2 ASN 62 -9.760 -5.444 -6.055 507 HD22 ASN 62 2HD2 ASN 62 -10.162 -7.093 -6.018 508 H ASN 63 H ASN 63 -8.491 -2.962 -4.484 509 HA ASN 63 HA ASN 63 -6.702 -4.804 -5.724 510 HB2 ASN 63 2HB ASN 63 -7.440 -2.551 -6.613 511 HB3 ASN 63 1HB ASN 63 -6.285 -1.820 -5.499 512 HD21 ASN 63 1HD2 ASN 63 -4.972 -1.049 -7.339 513 HD22 ASN 63 2HD2 ASN 63 -4.008 -2.128 -8.224 514 H MET 64 H MET 64 -6.220 -2.565 -2.997 515 HA MET 64 HA MET 64 -3.413 -2.945 -2.744 516 HB2 MET 64 2HB MET 64 -5.521 -2.321 -0.661 517 HB3 MET 64 1HB MET 64 -3.789 -2.319 -0.319 518 HG2 MET 64 2HG MET 64 -3.480 -0.667 -2.174 519 HG3 MET 64 1HG MET 64 -5.229 -0.595 -2.350 520 HE1 MET 64 3HE MET 64 -5.017 2.718 -0.868 521 HE2 MET 64 1HE MET 64 -4.955 1.698 -2.312 522 HE3 MET 64 2HE MET 64 -3.463 2.224 -1.536 523 H SER 65 H SER 65 -6.132 -4.858 -1.495 524 HA SER 65 HA SER 65 -4.600 -6.586 0.177 525 HB2 SER 65 2HB SER 65 -7.079 -7.273 -1.430 526 HB3 SER 65 1HB SER 65 -6.470 -8.158 -0.036 527 HG SER 65 HG SER 65 -7.596 -6.804 1.099 528 H GLU 66 H GLU 66 -5.381 -6.750 -3.292 529 HA GLU 66 HA GLU 66 -4.087 -9.276 -3.749 530 HB2 GLU 66 2HB GLU 66 -4.657 -6.959 -5.621 531 HB3 GLU 66 1HB GLU 66 -4.105 -8.548 -6.139 532 HG2 GLU 66 2HG GLU 66 -6.105 -9.571 -5.079 533 HG3 GLU 66 1HG GLU 66 -6.671 -7.959 -4.640 534 H HIS 67 H HIS 67 -2.987 -5.929 -3.708 535 HA HIS 67 HA HIS 67 -0.433 -6.277 -4.897 536 HB2 HIS 67 2HB HIS 67 -1.622 -4.105 -4.223 537 HB3 HIS 67 1HB HIS 67 -1.035 -4.414 -2.592 538 HD1 HIS 67 1HD HIS 67 0.490 -4.334 -6.098 539 HD2 HIS 67 2HD HIS 67 1.404 -3.205 -2.195 540 HE1 HIS 67 1HE HIS 67 2.750 -3.192 -6.192 541 HE2 HIS 67 2HE HIS 67 3.322 -2.515 -3.817 542 H LEU 68 H LEU 68 -1.443 -6.487 -1.493 543 HA LEU 68 HA LEU 68 1.167 -7.241 -0.515 544 HB2 LEU 68 2HB LEU 68 -1.554 -7.702 0.738 545 HB3 LEU 68 1HB LEU 68 -0.001 -7.715 1.570 546 HG LEU 68 HG LEU 68 -1.154 -5.325 0.113 547 HD11 LEU 68 1HD1 LEU 68 -1.092 -6.122 3.025 548 HD12 LEU 68 2HD1 LEU 68 -2.484 -5.638 2.058 549 HD13 LEU 68 3HD1 LEU 68 -1.275 -4.441 2.520 550 HD21 LEU 68 3HD2 LEU 68 0.711 -4.233 1.584 551 HD22 LEU 68 1HD2 LEU 68 1.174 -5.041 0.086 552 HD23 LEU 68 2HD2 LEU 68 1.385 -5.861 1.633 553 H THR 69 H THR 69 -1.671 -9.030 -1.629 554 HA THR 69 HA THR 69 -0.986 -11.592 -0.646 555 HB THR 69 HB THR 69 -2.336 -11.000 -3.292 556 HG1 THR 69 1HG THR 69 -3.207 -9.924 -1.385 557 HG21 THR 69 3HG2 THR 69 -3.558 -13.163 -2.527 558 HG22 THR 69 1HG2 THR 69 -2.178 -13.376 -1.447 559 HG23 THR 69 2HG2 THR 69 -1.932 -13.316 -3.194 560 H ASN 70 H ASN 70 0.104 -9.955 -3.611 561 HA ASN 70 HA ASN 70 2.434 -11.709 -3.714 562 HB2 ASN 70 2HB ASN 70 0.107 -12.082 -5.553 563 HB3 ASN 70 1HB ASN 70 1.727 -12.236 -6.233 564 HD21 ASN 70 1HD2 ASN 70 -0.675 -13.846 -4.334 565 HD22 ASN 70 2HD2 ASN 70 0.263 -15.193 -3.899 566 HA PRO 71 HA PRO 71 2.719 -7.240 -5.237 567 HB2 PRO 71 2HB PRO 71 5.367 -7.670 -3.960 568 HB3 PRO 71 1HB PRO 71 4.258 -6.297 -3.820 569 HG2 PRO 71 2HG PRO 71 4.602 -8.159 -1.883 570 HG3 PRO 71 1HG PRO 71 3.111 -7.231 -2.106 571 HD2 PRO 71 2HD PRO 71 3.611 -10.087 -2.629 572 HD3 PRO 71 1HD PRO 71 2.072 -9.236 -2.424 573 H ALA 72 H ALA 72 4.681 -10.140 -5.532 574 HA ALA 72 HA ALA 72 6.567 -9.166 -7.454 575 HB1 ALA 72 1HB ALA 72 7.209 -11.388 -7.717 576 HB2 ALA 72 2HB ALA 72 5.559 -11.990 -7.562 577 HB3 ALA 72 3HB ALA 72 6.439 -11.451 -6.132 578 H LYS 73 H LYS 73 3.640 -11.166 -8.032 579 HA LYS 73 HA LYS 73 3.673 -10.755 -10.870 580 HB2 LYS 73 2HB LYS 73 2.399 -12.573 -9.696 581 HB3 LYS 73 1HB LYS 73 1.265 -11.350 -9.122 582 HG2 LYS 73 2HG LYS 73 0.780 -10.719 -11.473 583 HG3 LYS 73 1HG LYS 73 1.868 -11.996 -12.023 584 HD2 LYS 73 2HD LYS 73 0.458 -13.653 -10.771 585 HD3 LYS 73 1HD LYS 73 -0.678 -12.351 -10.418 586 HE2 LYS 73 2HE LYS 73 0.129 -13.309 -13.180 587 HE3 LYS 73 1HE LYS 73 -1.424 -13.597 -12.394 588 HZ1 LYS 73 3HZ LYS 73 -0.859 -10.851 -12.312 589 HZ2 LYS 73 1HZ LYS 73 -2.126 -11.642 -13.114 590 HZ3 LYS 73 2HZ LYS 73 -0.647 -11.389 -13.909 591 H TYR 74 H TYR 74 2.232 -8.956 -8.204 592 HA TYR 74 HA TYR 74 0.463 -7.278 -9.616 593 HB2 TYR 74 2HB TYR 74 0.890 -7.429 -7.086 594 HB3 TYR 74 1HB TYR 74 2.233 -6.320 -7.360 595 HD1 TYR 74 1HD TYR 74 1.760 -4.072 -8.454 596 HD2 TYR 74 2HD TYR 74 -1.345 -6.649 -6.994 597 HE1 TYR 74 1HE TYR 74 0.197 -2.155 -8.410 598 HE2 TYR 74 2HE TYR 74 -2.915 -4.730 -6.953 599 HH TYR 74 HH TYR 74 -1.830 -1.470 -7.385 600 H ILE 75 H ILE 75 3.968 -6.858 -9.036 601 HA ILE 75 HA ILE 75 4.041 -5.077 -11.417 602 HB ILE 75 HB ILE 75 5.848 -3.767 -9.963 603 HG12 ILE 75 2HG1 ILE 75 3.889 -4.353 -7.777 604 HG13 ILE 75 1HG1 ILE 75 5.207 -5.490 -8.051 605 HG21 ILE 75 1HG2 ILE 75 2.924 -3.462 -10.304 606 HG22 ILE 75 2HG2 ILE 75 4.226 -2.329 -10.662 607 HG23 ILE 75 3HG2 ILE 75 3.632 -2.499 -9.009 608 HD11 ILE 75 3HD1 ILE 75 6.851 -3.910 -7.538 609 HD12 ILE 75 1HD1 ILE 75 5.567 -3.471 -6.410 610 HD13 ILE 75 2HD1 ILE 75 5.789 -2.547 -7.896 611 HA PRO 76 HA PRO 76 7.524 -7.425 -12.674 612 HB2 PRO 76 2HB PRO 76 9.332 -5.334 -13.246 613 HB3 PRO 76 1HB PRO 76 8.189 -6.088 -14.371 614 HG2 PRO 76 2HG PRO 76 7.974 -3.546 -12.884 615 HG3 PRO 76 1HG PRO 76 7.294 -4.003 -14.453 616 HD2 PRO 76 2HD PRO 76 5.763 -3.817 -12.222 617 HD3 PRO 76 1HD PRO 76 5.420 -4.997 -13.505 618 H GLY 77 H GLY 77 7.499 -5.842 -9.809 619 HA2 GLY 77 2HA GLY 77 8.815 -6.419 -7.905 620 HA3 GLY 77 1HA GLY 77 10.024 -7.110 -8.986 621 H THR 78 H THR 78 8.551 -3.860 -8.796 622 HA THR 78 HA THR 78 10.887 -2.447 -9.527 623 HB THR 78 HB THR 78 8.549 -1.495 -9.357 624 HG1 THR 78 1HG THR 78 9.466 0.390 -9.280 625 HG21 THR 78 3HG2 THR 78 9.035 -0.766 -6.530 626 HG22 THR 78 1HG2 THR 78 8.593 -2.450 -6.815 627 HG23 THR 78 2HG2 THR 78 7.523 -1.154 -7.350 628 H LYS 79 H LYS 79 11.275 -0.588 -7.383 629 HA LYS 79 HA LYS 79 13.348 -1.872 -5.931 630 HB2 LYS 79 2HB LYS 79 11.810 0.647 -5.232 631 HB3 LYS 79 1HB LYS 79 13.345 0.160 -4.510 632 HG2 LYS 79 2HG LYS 79 14.290 0.097 -6.879 633 HG3 LYS 79 1HG LYS 79 12.811 0.909 -7.393 634 HD2 LYS 79 2HD LYS 79 14.702 1.951 -5.263 635 HD3 LYS 79 1HD LYS 79 14.657 2.517 -6.932 636 HE2 LYS 79 2HE LYS 79 12.111 2.911 -6.453 637 HE3 LYS 79 1HE LYS 79 12.609 2.871 -4.761 638 HZ1 LYS 79 3HZ LYS 79 13.908 4.593 -6.794 639 HZ2 LYS 79 1HZ LYS 79 14.087 4.662 -5.109 640 HZ3 LYS 79 2HZ LYS 79 12.615 5.116 -5.825 641 H MET 80 H MET 80 9.918 -1.676 -5.300 642 HA MET 80 HA MET 80 10.053 -2.217 -2.478 643 HB2 MET 80 2HB MET 80 7.837 -2.775 -4.470 644 HB3 MET 80 1HB MET 80 7.666 -2.865 -2.715 645 HG2 MET 80 2HG MET 80 8.568 -0.452 -2.690 646 HG3 MET 80 1HG MET 80 8.226 -0.439 -4.418 647 HE1 MET 80 3HE MET 80 4.676 -1.334 -4.775 648 HE2 MET 80 1HE MET 80 6.333 -1.282 -5.394 649 HE3 MET 80 2HE MET 80 5.395 0.203 -5.248 650 H ALA 81 H ALA 81 10.734 -4.035 -1.540 651 HA ALA 81 HA ALA 81 10.535 -6.606 -3.056 652 HB1 ALA 81 1HB ALA 81 12.848 -5.891 -2.445 653 HB2 ALA 81 2HB ALA 81 12.386 -7.398 -1.657 654 HB3 ALA 81 3HB ALA 81 12.372 -5.888 -0.748 655 H PHE 82 H PHE 82 8.504 -5.197 -1.370 656 HA PHE 82 HA PHE 82 8.191 -6.338 1.188 657 HB2 PHE 82 2HB PHE 82 6.797 -4.503 0.187 658 HB3 PHE 82 1HB PHE 82 5.981 -5.718 -0.792 659 HD1 PHE 82 1HD PHE 82 6.621 -4.583 2.684 660 HD2 PHE 82 2HD PHE 82 4.313 -7.157 0.139 661 HE1 PHE 82 1HE PHE 82 5.077 -5.061 4.565 662 HE2 PHE 82 2HE PHE 82 2.772 -7.639 2.018 663 HZ PHE 82 HZ PHE 82 3.151 -6.588 4.230 664 H GLY 83 H GLY 83 7.512 -8.338 1.896 665 HA2 GLY 83 2HA GLY 83 7.320 -10.483 -0.101 666 HA3 GLY 83 1HA GLY 83 7.324 -10.695 1.649 667 H GLY 84 H GLY 84 5.489 -12.219 0.594 668 HA2 GLY 84 2HA GLY 84 2.944 -10.690 0.435 669 HA3 GLY 84 1HA GLY 84 3.156 -12.363 -0.081 670 H LEU 85 H LEU 85 1.218 -11.133 1.866 671 HA LEU 85 HA LEU 85 2.046 -12.442 4.403 672 HB2 LEU 85 2HB LEU 85 -0.432 -10.795 3.803 673 HB3 LEU 85 1HB LEU 85 0.130 -11.306 5.396 674 HG LEU 85 HG LEU 85 1.574 -9.435 3.496 675 HD11 LEU 85 1HD1 LEU 85 0.815 -7.706 4.786 676 HD12 LEU 85 2HD1 LEU 85 0.861 -8.659 6.269 677 HD13 LEU 85 3HD1 LEU 85 -0.491 -8.835 5.151 678 HD21 LEU 85 3HD2 LEU 85 3.014 -9.210 5.692 679 HD22 LEU 85 1HD2 LEU 85 3.327 -10.540 4.578 680 HD23 LEU 85 2HD2 LEU 85 2.380 -10.819 6.040 681 H LYS 86 H LYS 86 1.091 -14.339 5.090 682 HA LYS 86 HA LYS 86 -0.717 -15.675 3.170 683 HB2 LYS 86 2HB LYS 86 0.606 -16.690 5.705 684 HB3 LYS 86 1HB LYS 86 -0.329 -17.678 4.579 685 HG2 LYS 86 2HG LYS 86 1.273 -16.972 2.762 686 HG3 LYS 86 1HG LYS 86 2.262 -16.213 4.010 687 HD2 LYS 86 2HD LYS 86 1.466 -19.140 3.982 688 HD3 LYS 86 1HD LYS 86 3.033 -18.520 3.459 689 HE2 LYS 86 2HE LYS 86 3.589 -18.953 5.642 690 HE3 LYS 86 1HE LYS 86 2.891 -17.352 5.888 691 HZ1 LYS 86 3HZ LYS 86 1.277 -19.832 6.015 692 HZ2 LYS 86 1HZ LYS 86 0.854 -18.282 6.557 693 HZ3 LYS 86 2HZ LYS 86 2.045 -19.172 7.379 694 H LYS 87 H LYS 87 -1.069 -13.735 5.902 695 HA LYS 87 HA LYS 87 -3.581 -15.106 6.718 696 HB2 LYS 87 2HB LYS 87 -1.976 -12.923 8.067 697 HB3 LYS 87 1HB LYS 87 -3.507 -13.551 8.676 698 HG2 LYS 87 2HG LYS 87 -2.480 -15.850 8.685 699 HG3 LYS 87 1HG LYS 87 -0.935 -15.101 8.279 700 HD2 LYS 87 2HD LYS 87 -1.132 -13.680 10.320 701 HD3 LYS 87 1HD LYS 87 -2.604 -14.553 10.745 702 HE2 LYS 87 2HE LYS 87 0.022 -15.965 10.246 703 HE3 LYS 87 1HE LYS 87 -0.450 -15.390 11.845 704 HZ1 LYS 87 3HZ LYS 87 -1.181 -17.597 11.731 705 HZ2 LYS 87 1HZ LYS 87 -1.791 -17.417 10.159 706 HZ3 LYS 87 2HZ LYS 87 -2.580 -16.668 11.463 707 H GLU 88 H GLU 88 -5.488 -14.276 6.087 708 HA GLU 88 HA GLU 88 -5.573 -11.860 4.464 709 HB2 GLU 88 2HB GLU 88 -7.779 -13.642 5.539 710 HB3 GLU 88 1HB GLU 88 -8.029 -12.321 4.398 711 HG2 GLU 88 2HG GLU 88 -6.452 -13.414 2.819 712 HG3 GLU 88 1HG GLU 88 -6.282 -14.759 3.947 713 H LYS 89 H LYS 89 -6.588 -12.738 7.756 714 HA LYS 89 HA LYS 89 -8.021 -10.356 8.355 715 HB2 LYS 89 2HB LYS 89 -6.391 -12.148 10.179 716 HB3 LYS 89 1HB LYS 89 -7.521 -10.913 10.736 717 HG2 LYS 89 2HG LYS 89 -9.337 -12.058 9.457 718 HG3 LYS 89 1HG LYS 89 -8.193 -13.336 9.040 719 HD2 LYS 89 2HD LYS 89 -7.821 -13.736 11.480 720 HD3 LYS 89 1HD LYS 89 -9.078 -12.550 11.831 721 HE2 LYS 89 2HE LYS 89 -9.661 -14.836 9.969 722 HE3 LYS 89 1HE LYS 89 -9.717 -15.089 11.714 723 HZ1 LYS 89 3HZ LYS 89 -11.532 -13.647 10.011 724 HZ2 LYS 89 1HZ LYS 89 -11.077 -12.777 11.395 725 HZ3 LYS 89 2HZ LYS 89 -11.785 -14.314 11.554 726 H ASP 90 H ASP 90 -4.562 -11.124 8.893 727 HA ASP 90 HA ASP 90 -3.902 -8.576 10.010 728 HB2 ASP 90 2HB ASP 90 -2.216 -10.603 8.514 729 HB3 ASP 90 1HB ASP 90 -1.558 -9.196 9.344 730 H ARG 91 H ARG 91 -3.914 -9.797 6.682 731 HA ARG 91 HA ARG 91 -2.697 -7.557 5.427 732 HB2 ARG 91 2HB ARG 91 -3.182 -9.737 4.316 733 HB3 ARG 91 1HB ARG 91 -4.899 -9.332 4.328 734 HG2 ARG 91 2HG ARG 91 -4.441 -7.324 2.974 735 HG3 ARG 91 1HG ARG 91 -2.723 -7.724 2.961 736 HD2 ARG 91 2HD ARG 91 -3.667 -8.540 0.897 737 HD3 ARG 91 1HD ARG 91 -3.332 -9.939 1.915 738 HE ARG 91 HE ARG 91 -6.048 -8.939 2.238 739 HH11 ARG 91 1HH2 ARG 91 -3.884 -10.875 0.382 740 HH12 ARG 91 2HH2 ARG 91 -5.126 -11.920 -0.225 741 HH21 ARG 91 1HH1 ARG 91 -7.684 -10.290 1.456 742 HH22 ARG 91 2HH1 ARG 91 -7.278 -11.589 0.383 743 H ASN 92 H ASN 92 -6.135 -8.183 6.188 744 HA ASN 92 HA ASN 92 -7.161 -5.823 4.973 745 HB2 ASN 92 2HB ASN 92 -8.161 -7.421 7.345 746 HB3 ASN 92 1HB ASN 92 -9.079 -6.137 6.562 747 HD21 ASN 92 1HD2 ASN 92 -10.220 -8.664 6.506 748 HD22 ASN 92 2HD2 ASN 92 -10.109 -9.328 4.948 749 H ASP 93 H ASP 93 -5.793 -6.408 8.193 750 HA ASP 93 HA ASP 93 -6.489 -3.913 9.359 751 HB2 ASP 93 2HB ASP 93 -4.106 -5.729 9.818 752 HB3 ASP 93 1HB ASP 93 -4.519 -4.363 10.850 753 H LEU 94 H LEU 94 -3.698 -4.875 7.366 754 HA LEU 94 HA LEU 94 -2.237 -2.452 7.648 755 HB2 LEU 94 2HB LEU 94 -1.288 -4.510 6.645 756 HB3 LEU 94 1HB LEU 94 -2.347 -4.307 5.250 757 HG LEU 94 HG LEU 94 -1.304 -2.145 4.737 758 HD11 LEU 94 1HD1 LEU 94 0.944 -1.813 6.127 759 HD12 LEU 94 2HD1 LEU 94 0.027 -2.674 7.362 760 HD13 LEU 94 3HD1 LEU 94 -0.591 -1.161 6.700 761 HD21 LEU 94 3HD2 LEU 94 -0.116 -4.664 4.480 762 HD22 LEU 94 1HD2 LEU 94 1.182 -3.626 5.064 763 HD23 LEU 94 2HD2 LEU 94 0.319 -3.208 3.586 764 H ILE 95 H ILE 95 -4.659 -3.389 5.180 765 HA ILE 95 HA ILE 95 -4.495 -0.905 3.747 766 HB ILE 95 HB ILE 95 -6.863 -2.777 3.952 767 HG12 ILE 95 2HG1 ILE 95 -4.578 -2.762 1.956 768 HG13 ILE 95 1HG1 ILE 95 -4.731 -3.911 3.286 769 HG21 ILE 95 1HG2 ILE 95 -7.826 -1.534 2.319 770 HG22 ILE 95 2HG2 ILE 95 -6.311 -1.400 1.423 771 HG23 ILE 95 3HG2 ILE 95 -6.655 -0.286 2.746 772 HD11 ILE 95 3HD1 ILE 95 -5.822 -4.199 0.730 773 HD12 ILE 95 1HD1 ILE 95 -7.193 -3.725 1.734 774 HD13 ILE 95 2HD1 ILE 95 -6.241 -5.150 2.155 775 H THR 96 H THR 96 -6.559 -2.032 6.395 776 HA THR 96 HA THR 96 -8.281 0.208 6.553 777 HB THR 96 HB THR 96 -7.273 -1.468 8.868 778 HG1 THR 96 1HG THR 96 -9.496 -2.430 8.208 779 HG21 THR 96 3HG2 THR 96 -9.948 -0.108 8.490 780 HG22 THR 96 1HG2 THR 96 -8.599 0.655 9.331 781 HG23 THR 96 2HG2 THR 96 -9.304 -0.832 9.963 782 H TYR 97 H TYR 97 -5.062 -0.345 7.997 783 HA TYR 97 HA TYR 97 -4.997 1.967 9.645 784 HB2 TYR 97 2HB TYR 97 -3.263 0.179 9.679 785 HB3 TYR 97 1HB TYR 97 -2.682 0.742 8.112 786 HD1 TYR 97 2HD TYR 97 -3.174 1.734 11.664 787 HD2 TYR 97 1HD TYR 97 -1.282 2.662 7.922 788 HE1 TYR 97 2HE TYR 97 -1.793 3.460 12.790 789 HE2 TYR 97 1HE TYR 97 0.098 4.387 9.047 790 HH TYR 97 HH TYR 97 -0.467 5.828 11.580 791 H LEU 98 H LEU 98 -3.942 1.577 6.246 792 HA LEU 98 HA LEU 98 -3.336 4.380 5.901 793 HB2 LEU 98 2HB LEU 98 -4.019 2.229 3.869 794 HB3 LEU 98 1HB LEU 98 -3.405 3.831 3.462 795 HG LEU 98 HG LEU 98 -1.973 1.810 5.213 796 HD11 LEU 98 1HD1 LEU 98 -2.086 2.233 2.322 797 HD12 LEU 98 2HD1 LEU 98 -1.379 0.896 3.230 798 HD13 LEU 98 3HD1 LEU 98 -0.443 2.365 2.954 799 HD21 LEU 98 3HD2 LEU 98 -1.546 4.665 4.506 800 HD22 LEU 98 1HD2 LEU 98 -0.118 3.633 4.442 801 HD23 LEU 98 2HD2 LEU 98 -1.037 3.775 5.941 802 H LYS 99 H LYS 99 -6.199 2.393 5.580 803 HA LYS 99 HA LYS 99 -7.863 4.147 4.112 804 HB2 LYS 99 2HB LYS 99 -8.367 1.754 4.847 805 HB3 LYS 99 1HB LYS 99 -8.761 2.418 6.432 806 HG2 LYS 99 2HG LYS 99 -10.433 3.915 5.340 807 HG3 LYS 99 1HG LYS 99 -10.101 3.101 3.810 808 HD2 LYS 99 2HD LYS 99 -10.746 0.935 4.850 809 HD3 LYS 99 1HD LYS 99 -11.162 1.797 6.332 810 HE2 LYS 99 2HE LYS 99 -12.378 2.886 3.863 811 HE3 LYS 99 1HE LYS 99 -12.942 1.282 4.333 812 HZ1 LYS 99 3HZ LYS 99 -13.339 3.835 5.632 813 HZ2 LYS 99 1HZ LYS 99 -12.940 2.562 6.681 814 HZ3 LYS 99 2HZ LYS 99 -14.298 2.432 5.670 815 H LYS 100 H LYS 100 -7.210 3.971 7.607 816 HA LYS 100 HA LYS 100 -9.029 6.005 8.431 817 HB2 LYS 100 2HB LYS 100 -6.368 5.148 9.600 818 HB3 LYS 100 1HB LYS 100 -7.519 6.206 10.416 819 HG2 LYS 100 2HG LYS 100 -9.236 4.420 10.272 820 HG3 LYS 100 1HG LYS 100 -8.041 3.358 9.521 821 HD2 LYS 100 2HD LYS 100 -6.613 3.518 11.502 822 HD3 LYS 100 1HD LYS 100 -7.752 4.635 12.248 823 HE2 LYS 100 2HE LYS 100 -9.019 2.926 12.994 824 HE3 LYS 100 1HE LYS 100 -9.135 2.255 11.367 825 HZ1 LYS 100 3HZ LYS 100 -7.074 1.744 13.422 826 HZ2 LYS 100 1HZ LYS 100 -6.790 1.412 11.783 827 HZ3 LYS 100 2HZ LYS 100 -8.054 0.624 12.603 828 H ALA 101 H ALA 101 -5.621 6.168 7.459 829 HA ALA 101 HA ALA 101 -5.194 8.923 7.949 830 HB1 ALA 101 1HB ALA 101 -4.047 7.081 5.837 831 HB2 ALA 101 2HB ALA 101 -3.311 7.551 7.368 832 HB3 ALA 101 3HB ALA 101 -3.483 8.736 6.073 833 H THR 102 H THR 102 -6.635 7.297 5.138 834 HA THR 102 HA THR 102 -6.907 9.738 3.595 835 HB THR 102 HB THR 102 -8.295 8.401 2.107 836 HG1 THR 102 1HG THR 102 -9.579 7.120 3.174 837 HG21 THR 102 3HG2 THR 102 -5.704 7.564 3.077 838 HG22 THR 102 1HG2 THR 102 -6.335 7.530 1.432 839 HG23 THR 102 2HG2 THR 102 -6.628 6.171 2.517 840 H GLU 103 H GLU 103 -8.823 8.093 6.020 841 HA GLU 103 HA GLU 103 -10.982 8.567 6.864 842 HB2 GLU 103 2HB GLU 103 -9.445 10.238 7.912 843 HB3 GLU 103 1HB GLU 103 -9.860 11.373 6.625 844 HG2 GLU 103 2HG GLU 103 -12.260 11.180 7.276 845 HG3 GLU 103 1HG GLU 103 -11.783 10.143 8.621 846 HHA HEC 201 HA HEC 104 4.952 3.579 -5.826 847 HHB HEC 201 HB HEC 104 1.386 0.403 -1.695 848 HHC HEC 201 HC HEC 104 6.447 -0.479 1.987 849 HHD HEC 201 HD HEC 104 10.059 2.491 -2.276 850 HMA1 HEC 201 1HMA HEC 104 0.105 0.915 -4.254 851 HMA2 HEC 201 2HMA HEC 104 0.092 2.670 -4.430 852 HMA3 HEC 201 3HMA HEC 104 0.137 1.948 -2.823 853 HAA1 HEC 201 1HAA HEC 104 2.939 2.089 -6.867 854 HAA2 HEC 201 2HAA HEC 104 1.313 2.518 -6.358 855 HBA1 HEC 201 1HBA HEC 104 3.329 4.222 -7.430 856 HBA2 HEC 201 2HBA HEC 104 3.004 4.733 -5.773 857 HMB1 HEC 201 1HMB HEC 104 0.758 -0.824 0.894 858 HMB2 HEC 201 2HMB HEC 104 1.288 -1.583 -0.603 859 HMB3 HEC 201 3HMB HEC 104 1.761 -2.273 0.938 860 HAB HEC 201 HAB HEC 104 4.711 -1.377 3.045 861 HBB1 HEC 201 1HBB HEC 104 1.700 -1.116 2.909 862 HBB2 HEC 201 2HBB HEC 104 2.596 -1.563 4.351 863 HBB3 HEC 201 3HBB HEC 104 2.634 -2.613 2.939 864 HMC1 HEC 201 1HMC HEC 104 8.664 -0.395 2.808 865 HMC2 HEC 201 2HMC HEC 104 10.259 -0.327 2.057 866 HMC3 HEC 201 3HMC HEC 104 9.076 -1.514 1.508 867 HAC HEC 201 HAC HEC 104 11.044 2.553 -0.303 868 HBC1 HEC 201 1HBC HEC 104 12.641 0.991 -0.561 869 HBC2 HEC 201 2HBC HEC 104 12.408 0.490 1.114 870 HBC3 HEC 201 3HBC HEC 104 11.474 -0.273 -0.173 871 HMD1 HEC 201 1HMD HEC 104 10.386 2.428 -5.032 872 HMD2 HEC 201 2HMD HEC 104 10.675 3.900 -4.103 873 HMD3 HEC 201 3HMD HEC 104 10.084 4.004 -5.763 874 HAD1 HEC 201 1HAD HEC 104 8.181 5.518 -5.949 875 HAD2 HEC 201 2HAD HEC 104 6.498 5.127 -6.238 876 HBD1 HEC 201 1HBD HEC 104 8.628 4.718 -7.994 877 HBD2 HEC 201 2HBD HEC 104 8.264 3.112 -7.368 Start of MODEL 17 1 H1 THR -5 1HT THR -5 -19.435 -6.505 5.302 2 H2 THR -5 2HT THR -5 -19.030 -5.067 4.494 3 H3 THR -5 3HT THR -5 -17.830 -6.220 4.833 4 HA THR -5 HA THR -5 -19.923 -7.426 3.364 5 HB THR -5 HB THR -5 -19.627 -6.159 1.266 6 HG1 THR -5 1HG THR -5 -18.576 -3.958 2.498 7 HG21 THR -5 1HG2 THR -5 -20.440 -3.856 2.723 8 HG22 THR -5 2HG2 THR -5 -21.002 -5.269 3.617 9 HG23 THR -5 3HG2 THR -5 -21.464 -5.054 1.929 10 H GLU -4 H GLU -4 -17.857 -6.654 1.031 11 HA GLU -4 HA GLU -4 -16.367 -9.083 1.170 12 HB2 GLU -4 2HB GLU -4 -15.818 -6.534 -0.383 13 HB3 GLU -4 1HB GLU -4 -14.987 -8.066 -0.653 14 HG2 GLU -4 2HG GLU -4 -17.985 -7.659 -0.866 15 HG3 GLU -4 1HG GLU -4 -16.878 -7.742 -2.235 16 H PHE -3 H PHE -3 -15.659 -5.813 2.291 17 HA PHE -3 HA PHE -3 -12.977 -6.730 3.208 18 HB2 PHE -3 2HB PHE -3 -12.999 -4.628 1.942 19 HB3 PHE -3 1HB PHE -3 -14.169 -3.944 3.072 20 HD1 PHE -3 2HD PHE -3 -10.694 -5.232 2.750 21 HD2 PHE -3 1HD PHE -3 -13.498 -3.090 5.201 22 HE1 PHE -3 2HE PHE -3 -8.851 -4.542 4.259 23 HE2 PHE -3 1HE PHE -3 -11.654 -2.401 6.710 24 HZ PHE -3 HZ PHE -3 -9.333 -3.130 6.241 25 H LYS -2 H LYS -2 -12.612 -7.096 5.343 26 HA LYS -2 HA LYS -2 -14.848 -6.768 7.226 27 HB2 LYS -2 2HB LYS -2 -13.338 -8.797 7.207 28 HB3 LYS -2 1HB LYS -2 -12.039 -7.758 7.791 29 HG2 LYS -2 2HG LYS -2 -13.329 -7.196 9.785 30 HG3 LYS -2 1HG LYS -2 -14.703 -8.127 9.190 31 HD2 LYS -2 2HD LYS -2 -13.513 -9.504 10.784 32 HD3 LYS -2 1HD LYS -2 -13.224 -10.164 9.175 33 HE2 LYS -2 2HE LYS -2 -11.025 -9.342 9.092 34 HE3 LYS -2 1HE LYS -2 -11.326 -8.144 10.351 35 HZ1 LYS -2 3HZ LYS -2 -10.752 -10.996 10.594 36 HZ2 LYS -2 1HZ LYS -2 -11.828 -10.326 11.721 37 HZ3 LYS -2 2HZ LYS -2 -10.255 -9.700 11.574 38 H ALA -1 H ALA -1 -14.906 -5.255 8.888 39 HA ALA -1 HA ALA -1 -13.823 -2.747 8.690 40 HB1 ALA -1 1HB ALA -1 -15.428 -3.237 10.428 41 HB2 ALA -1 2HB ALA -1 -13.982 -2.594 11.202 42 HB3 ALA -1 3HB ALA -1 -14.299 -4.328 11.230 43 H GLY 1 H GLY 1 -12.113 -5.628 9.632 44 HA2 GLY 1 2HA GLY 1 -9.867 -5.987 10.209 45 HA3 GLY 1 1HA GLY 1 -9.544 -4.596 9.174 46 H SER 2 H SER 2 -7.930 -4.919 11.355 47 HA SER 2 HA SER 2 -8.893 -2.777 13.213 48 HB2 SER 2 2HB SER 2 -8.769 -5.021 14.312 49 HB3 SER 2 1HB SER 2 -7.057 -5.091 13.902 50 HG SER 2 HG SER 2 -6.696 -3.326 15.205 51 H ALA 3 H ALA 3 -7.612 -1.007 13.153 52 HA ALA 3 HA ALA 3 -5.238 -0.923 11.518 53 HB1 ALA 3 1HB ALA 3 -4.998 1.387 12.668 54 HB2 ALA 3 2HB ALA 3 -6.554 1.020 13.410 55 HB3 ALA 3 3HB ALA 3 -6.415 1.115 11.654 56 H LYS 4 H LYS 4 -5.804 -1.609 14.885 57 HA LYS 4 HA LYS 4 -3.310 -0.867 15.995 58 HB2 LYS 4 2HB LYS 4 -5.075 -3.241 16.664 59 HB3 LYS 4 1HB LYS 4 -3.747 -2.662 17.673 60 HG2 LYS 4 2HG LYS 4 -4.866 -0.432 17.797 61 HG3 LYS 4 1HG LYS 4 -6.225 -1.099 16.892 62 HD2 LYS 4 2HD LYS 4 -6.492 -2.838 18.676 63 HD3 LYS 4 1HD LYS 4 -5.234 -2.021 19.604 64 HE2 LYS 4 2HE LYS 4 -7.023 -0.914 20.506 65 HE3 LYS 4 1HE LYS 4 -6.840 0.088 19.066 66 HZ1 LYS 4 3HZ LYS 4 -8.345 -2.184 18.403 67 HZ2 LYS 4 1HZ LYS 4 -8.829 -0.558 18.392 68 HZ3 LYS 4 2HZ LYS 4 -9.022 -1.489 19.799 69 H LYS 5 H LYS 5 -4.223 -4.078 14.652 70 HA LYS 5 HA LYS 5 -1.545 -5.117 14.854 71 HB2 LYS 5 2HB LYS 5 -3.870 -5.961 13.103 72 HB3 LYS 5 1HB LYS 5 -2.379 -6.884 13.293 73 HG2 LYS 5 2HG LYS 5 -2.794 -6.956 15.759 74 HG3 LYS 5 1HG LYS 5 -4.347 -6.166 15.482 75 HD2 LYS 5 2HD LYS 5 -4.994 -8.041 13.970 76 HD3 LYS 5 1HD LYS 5 -3.476 -8.849 14.370 77 HE2 LYS 5 2HE LYS 5 -4.366 -8.365 16.864 78 HE3 LYS 5 1HE LYS 5 -5.917 -8.468 16.032 79 HZ1 LYS 5 3HZ LYS 5 -3.805 -10.517 16.257 80 HZ2 LYS 5 1HZ LYS 5 -4.949 -10.583 15.008 81 HZ3 LYS 5 2HZ LYS 5 -5.458 -10.646 16.627 82 H GLY 6 H GLY 6 -3.393 -3.855 12.069 83 HA2 GLY 6 2HA GLY 6 -1.256 -4.045 10.189 84 HA3 GLY 6 1HA GLY 6 -2.648 -2.976 10.035 85 H ALA 7 H ALA 7 -2.071 -1.598 12.590 86 HA ALA 7 HA ALA 7 -0.505 0.546 11.602 87 HB1 ALA 7 1HB ALA 7 -0.298 1.155 14.092 88 HB2 ALA 7 2HB ALA 7 -1.255 -0.294 14.404 89 HB3 ALA 7 3HB ALA 7 -1.932 1.019 13.442 90 H THR 8 H THR 8 0.437 -2.106 13.805 91 HA THR 8 HA THR 8 3.194 -1.214 13.932 92 HB THR 8 HB THR 8 3.592 -3.326 15.089 93 HG1 THR 8 1HG THR 8 2.122 -4.942 15.055 94 HG21 THR 8 3HG2 THR 8 2.254 -2.914 16.958 95 HG22 THR 8 1HG2 THR 8 0.839 -2.526 15.979 96 HG23 THR 8 2HG2 THR 8 2.170 -1.373 16.102 97 H LEU 9 H LEU 9 1.422 -3.655 12.029 98 HA LEU 9 HA LEU 9 3.693 -4.816 10.750 99 HB2 LEU 9 2HB LEU 9 1.332 -5.695 10.614 100 HB3 LEU 9 1HB LEU 9 0.956 -4.363 9.520 101 HG LEU 9 HG LEU 9 3.073 -5.249 8.209 102 HD11 LEU 9 1HD1 LEU 9 3.717 -7.429 8.584 103 HD12 LEU 9 2HD1 LEU 9 2.131 -7.902 9.198 104 HD13 LEU 9 3HD1 LEU 9 3.243 -6.998 10.228 105 HD21 LEU 9 3HD2 LEU 9 0.238 -6.194 8.231 106 HD22 LEU 9 1HD2 LEU 9 1.383 -7.063 7.208 107 HD23 LEU 9 2HD2 LEU 9 1.125 -5.334 6.971 108 H PHE 10 H PHE 10 1.711 -1.995 9.984 109 HA PHE 10 HA PHE 10 2.971 -1.293 7.516 110 HB2 PHE 10 2HB PHE 10 0.826 -0.319 8.434 111 HB3 PHE 10 1HB PHE 10 1.796 0.587 9.588 112 HD1 PHE 10 2HD PHE 10 1.120 0.082 5.970 113 HD2 PHE 10 1HD PHE 10 2.997 2.541 8.948 114 HE1 PHE 10 2HE PHE 10 1.536 1.833 4.264 115 HE2 PHE 10 1HE PHE 10 3.404 4.289 7.242 116 HZ PHE 10 HZ PHE 10 2.691 3.933 4.904 117 H LYS 11 H LYS 11 3.583 -0.328 10.872 118 HA LYS 11 HA LYS 11 5.796 1.401 10.361 119 HB2 LYS 11 2HB LYS 11 4.457 1.163 12.528 120 HB3 LYS 11 1HB LYS 11 5.404 -0.292 12.837 121 HG2 LYS 11 2HG LYS 11 7.491 1.033 12.661 122 HG3 LYS 11 1HG LYS 11 6.528 2.491 12.415 123 HD2 LYS 11 2HD LYS 11 5.411 2.047 14.622 124 HD3 LYS 11 1HD LYS 11 6.547 0.721 14.874 125 HE2 LYS 11 2HE LYS 11 8.419 2.194 14.916 126 HE3 LYS 11 1HE LYS 11 7.473 3.532 14.262 127 HZ1 LYS 11 3HZ LYS 11 6.990 4.127 16.322 128 HZ2 LYS 11 1HZ LYS 11 7.844 2.804 16.948 129 HZ3 LYS 11 2HZ LYS 11 6.195 2.645 16.572 130 H THR 12 H THR 12 5.582 -2.079 10.946 131 HA THR 12 HA THR 12 8.415 -2.510 11.174 132 HB THR 12 HB THR 12 7.871 -4.876 10.982 133 HG1 THR 12 1HG THR 12 5.704 -3.817 9.664 134 HG21 THR 12 3HG2 THR 12 5.550 -4.494 12.496 135 HG22 THR 12 1HG2 THR 12 6.487 -3.021 12.737 136 HG23 THR 12 2HG2 THR 12 7.200 -4.590 13.111 137 H ARG 13 H ARG 13 6.227 -2.530 8.352 138 HA ARG 13 HA ARG 13 8.655 -2.569 6.662 139 HB2 ARG 13 2HB ARG 13 6.446 -4.625 6.457 140 HB3 ARG 13 1HB ARG 13 7.678 -4.378 5.221 141 HG2 ARG 13 2HG ARG 13 9.429 -4.803 6.974 142 HG3 ARG 13 1HG ARG 13 8.134 -5.215 8.098 143 HD2 ARG 13 2HD ARG 13 7.355 -6.953 6.456 144 HD3 ARG 13 1HD ARG 13 8.797 -6.619 5.499 145 HE ARG 13 HE ARG 13 9.883 -7.159 7.938 146 HH11 ARG 13 1HH2 ARG 13 7.439 -8.677 6.039 147 HH12 ARG 13 2HH2 ARG 13 7.779 -10.268 6.632 148 HH21 ARG 13 1HH1 ARG 13 10.344 -9.229 8.722 149 HH22 ARG 13 2HH1 ARG 13 9.425 -10.581 8.149 150 H CYS 14 H CYS 14 7.243 -0.295 6.803 151 HA CYS 14 HA CYS 14 6.319 0.064 4.111 152 HB2 CYS 14 2HB CYS 14 4.367 -1.161 5.369 153 HB3 CYS 14 1HB CYS 14 4.075 0.434 6.061 154 H LEU 15 H LEU 15 5.880 1.342 7.416 155 HA LEU 15 HA LEU 15 5.576 4.060 6.691 156 HB2 LEU 15 2HB LEU 15 5.198 3.162 8.983 157 HB3 LEU 15 1HB LEU 15 6.940 2.967 9.166 158 HG LEU 15 HG LEU 15 7.105 5.485 8.620 159 HD11 LEU 15 1HD1 LEU 15 4.145 5.188 9.183 160 HD12 LEU 15 2HD1 LEU 15 4.901 5.924 7.770 161 HD13 LEU 15 3HD1 LEU 15 5.001 6.720 9.337 162 HD21 LEU 15 3HD2 LEU 15 7.452 4.522 10.867 163 HD22 LEU 15 1HD2 LEU 15 5.715 4.580 11.156 164 HD23 LEU 15 2HD2 LEU 15 6.627 6.077 10.965 165 H GLN 16 H GLN 16 8.513 2.142 7.162 166 HA GLN 16 HA GLN 16 10.400 4.254 7.107 167 HB2 GLN 16 2HB GLN 16 10.626 1.438 6.004 168 HB3 GLN 16 1HB GLN 16 11.989 2.531 6.248 169 HG2 GLN 16 2HG GLN 16 11.483 2.655 8.648 170 HG3 GLN 16 1HG GLN 16 10.092 1.596 8.420 171 HE21 GLN 16 1HE2 GLN 16 12.203 0.815 10.161 172 HE22 GLN 16 2HE2 GLN 16 13.023 -0.502 9.471 173 H CYS 17 H CYS 17 8.698 2.625 4.464 174 HA CYS 17 HA CYS 17 10.196 4.254 2.487 175 HB2 CYS 17 2HB CYS 17 8.172 2.028 2.155 176 HB3 CYS 17 1HB CYS 17 8.944 2.878 0.817 177 H HIS 18 H HIS 18 6.832 3.703 3.565 178 HA HIS 18 HA HIS 18 6.034 6.111 1.986 179 HB2 HIS 18 2HB HIS 18 4.446 3.789 3.106 180 HB3 HIS 18 1HB HIS 18 3.687 5.233 2.429 181 HD1 HIS 18 1HD HIS 18 4.320 5.748 -0.165 182 HD2 HIS 18 2HD HIS 18 5.271 1.943 1.239 183 HE1 HIS 18 1HE HIS 18 4.668 4.290 -2.216 184 H THR 19 H THR 19 5.697 7.958 3.105 185 HA THR 19 HA THR 19 5.595 7.878 6.047 186 HB THR 19 HB THR 19 5.784 10.295 5.917 187 HG1 THR 19 1HG THR 19 4.368 10.129 3.855 188 HG21 THR 19 3HG2 THR 19 7.498 9.275 3.656 189 HG22 THR 19 1HG2 THR 19 7.763 8.735 5.314 190 HG23 THR 19 2HG2 THR 19 7.909 10.444 4.911 191 H VAL 20 H VAL 20 3.417 8.229 3.362 192 HA VAL 20 HA VAL 20 1.090 8.470 3.286 193 HB VAL 20 HB VAL 20 1.003 7.880 6.234 194 HG11 VAL 20 1HG1 VAL 20 -1.090 6.965 5.751 195 HG12 VAL 20 2HG1 VAL 20 -0.674 6.648 4.066 196 HG13 VAL 20 3HG1 VAL 20 -1.012 8.296 4.596 197 HG21 VAL 20 3HG2 VAL 20 1.872 6.082 3.981 198 HG22 VAL 20 1HG2 VAL 20 1.022 5.413 5.375 199 HG23 VAL 20 2HG2 VAL 20 2.562 6.245 5.597 200 H GLU 21 H GLU 21 3.048 10.497 5.051 201 HA GLU 21 HA GLU 21 0.797 12.170 6.036 202 HB2 GLU 21 2HB GLU 21 2.782 11.753 7.511 203 HB3 GLU 21 1HB GLU 21 3.781 12.613 6.340 204 HG2 GLU 21 2HG GLU 21 2.312 14.612 6.606 205 HG3 GLU 21 1HG GLU 21 1.416 13.752 7.859 206 H LYS 22 H LYS 22 0.058 13.810 4.775 207 HA LYS 22 HA LYS 22 1.292 14.445 2.248 208 HB2 LYS 22 2HB LYS 22 -0.444 16.105 2.012 209 HB3 LYS 22 1HB LYS 22 -1.166 14.691 2.781 210 HG2 LYS 22 2HG LYS 22 -0.789 15.790 5.010 211 HG3 LYS 22 1HG LYS 22 -0.257 17.238 4.152 212 HD2 LYS 22 2HD LYS 22 -2.483 17.166 2.911 213 HD3 LYS 22 1HD LYS 22 -2.992 15.953 4.086 214 HE2 LYS 22 2HE LYS 22 -2.074 18.774 4.707 215 HE3 LYS 22 1HE LYS 22 -3.721 18.158 4.837 216 HZ1 LYS 22 3HZ LYS 22 -3.185 17.662 6.924 217 HZ2 LYS 22 1HZ LYS 22 -1.526 17.889 6.655 218 HZ3 LYS 22 2HZ LYS 22 -2.248 16.395 6.290 219 H GLY 23 H GLY 23 1.216 16.061 5.414 220 HA2 GLY 23 2HA GLY 23 2.633 18.415 4.622 221 HA3 GLY 23 1HA GLY 23 2.550 17.791 6.270 222 H GLY 24 H GLY 24 3.707 15.209 5.625 223 HA2 GLY 24 2HA GLY 24 6.486 15.872 5.925 224 HA3 GLY 24 1HA GLY 24 5.851 14.248 5.659 225 HA PRO 25 HA PRO 25 7.786 16.144 1.711 226 HB2 PRO 25 2HB PRO 25 10.322 15.170 1.846 227 HB3 PRO 25 1HB PRO 25 9.860 16.730 2.557 228 HG2 PRO 25 2HG PRO 25 10.229 14.085 3.880 229 HG3 PRO 25 1HG PRO 25 10.726 15.697 4.420 230 HD2 PRO 25 2HD PRO 25 8.488 14.440 5.372 231 HD3 PRO 25 1HD PRO 25 8.636 16.209 5.267 232 H HIS 26 H HIS 26 9.536 14.487 0.298 233 HA HIS 26 HA HIS 26 7.896 12.009 0.052 234 HB2 HIS 26 2HB HIS 26 8.993 13.861 -1.844 235 HB3 HIS 26 1HB HIS 26 9.751 12.290 -2.104 236 HD1 HIS 26 1HD HIS 26 6.237 13.713 -1.622 237 HD2 HIS 26 2HD HIS 26 8.168 10.561 -3.554 238 HE1 HIS 26 1HE HIS 26 4.464 12.506 -2.976 239 HE2 HIS 26 2HE HIS 26 5.630 10.590 -4.158 240 H LYS 27 H LYS 27 8.811 10.130 0.730 241 HA LYS 27 HA LYS 27 11.741 10.111 1.258 242 HB2 LYS 27 2HB LYS 27 9.579 8.204 2.201 243 HB3 LYS 27 1HB LYS 27 11.265 8.165 2.694 244 HG2 LYS 27 2HG LYS 27 9.371 10.484 3.163 245 HG3 LYS 27 1HG LYS 27 9.850 9.297 4.376 246 HD2 LYS 27 2HD LYS 27 12.282 9.996 3.785 247 HD3 LYS 27 1HD LYS 27 11.533 11.421 3.065 248 HE2 LYS 27 2HE LYS 27 12.072 11.986 5.340 249 HE3 LYS 27 1HE LYS 27 10.323 11.784 5.251 250 HZ1 LYS 27 3HZ LYS 27 10.744 9.412 5.949 251 HZ2 LYS 27 1HZ LYS 27 11.004 10.597 7.136 252 HZ3 LYS 27 2HZ LYS 27 12.326 9.895 6.332 253 H VAL 28 H VAL 28 12.027 7.268 1.236 254 HA VAL 28 HA VAL 28 12.799 6.783 -1.414 255 HB VAL 28 HB VAL 28 11.910 4.822 0.720 256 HG11 VAL 28 1HG1 VAL 28 11.743 3.544 -1.236 257 HG12 VAL 28 2HG1 VAL 28 13.418 3.273 -0.756 258 HG13 VAL 28 3HG1 VAL 28 13.044 4.424 -2.038 259 HG21 VAL 28 3HG2 VAL 28 14.682 4.698 0.157 260 HG22 VAL 28 1HG2 VAL 28 13.915 5.322 1.618 261 HG23 VAL 28 2HG2 VAL 28 14.281 6.411 0.280 262 H GLY 29 H GLY 29 9.681 6.039 0.143 263 HA2 GLY 29 2HA GLY 29 8.611 5.333 -2.555 264 HA3 GLY 29 1HA GLY 29 7.904 4.788 -1.034 265 HA PRO 30 HA PRO 30 6.280 9.084 -2.642 266 HB2 PRO 30 2HB PRO 30 3.901 8.153 -3.741 267 HB3 PRO 30 1HB PRO 30 5.349 8.594 -4.664 268 HG2 PRO 30 2HG PRO 30 4.369 5.916 -3.847 269 HG3 PRO 30 1HG PRO 30 5.201 6.418 -5.328 270 HD2 PRO 30 2HD PRO 30 6.481 5.078 -3.340 271 HD3 PRO 30 1HD PRO 30 7.307 6.279 -4.358 272 H ASN 31 H ASN 31 4.714 10.217 -1.432 273 HA ASN 31 HA ASN 31 3.850 9.055 1.024 274 HB2 ASN 31 2HB ASN 31 2.861 11.520 -0.441 275 HB3 ASN 31 1HB ASN 31 2.425 11.109 1.219 276 HD21 ASN 31 1HD2 ASN 31 5.522 9.965 0.851 277 HD22 ASN 31 2HD2 ASN 31 6.389 11.315 1.402 278 H LEU 32 H LEU 32 1.906 8.055 1.581 279 HA LEU 32 HA LEU 32 0.052 7.463 -0.682 280 HB2 LEU 32 2HB LEU 32 1.265 5.614 0.669 281 HB3 LEU 32 1HB LEU 32 0.159 6.032 1.973 282 HG LEU 32 HG LEU 32 -1.743 5.713 0.325 283 HD11 LEU 32 1HD1 LEU 32 -0.871 3.982 -1.525 284 HD12 LEU 32 2HD1 LEU 32 0.606 4.925 -1.355 285 HD13 LEU 32 3HD1 LEU 32 -0.894 5.718 -1.828 286 HD21 LEU 32 3HD2 LEU 32 -1.422 3.134 0.361 287 HD22 LEU 32 1HD2 LEU 32 -1.458 3.982 1.907 288 HD23 LEU 32 2HD2 LEU 32 0.084 3.483 1.211 289 H HIS 33 H HIS 33 -1.828 8.653 -0.627 290 HA HIS 33 HA HIS 33 -3.282 8.939 1.902 291 HB2 HIS 33 2HB HIS 33 -1.681 10.832 2.000 292 HB3 HIS 33 1HB HIS 33 -2.302 11.419 0.457 293 HD1 HIS 33 1HD HIS 33 -3.772 10.429 3.849 294 HD2 HIS 33 2HD HIS 33 -4.340 13.241 0.820 295 HE1 HIS 33 1HE HIS 33 -5.651 11.943 4.620 296 HE2 HIS 33 2HE HIS 33 -6.007 13.657 2.783 297 H GLY 34 H GLY 34 -5.416 8.764 1.425 298 HA2 GLY 34 2HA GLY 34 -7.393 8.699 0.162 299 HA3 GLY 34 1HA GLY 34 -6.797 10.180 -0.592 300 H ILE 35 H ILE 35 -4.631 7.596 -0.927 301 HA ILE 35 HA ILE 35 -4.777 7.570 -3.765 302 HB ILE 35 HB ILE 35 -2.885 6.751 -2.215 303 HG12 ILE 35 2HG1 ILE 35 -2.440 4.790 -3.963 304 HG13 ILE 35 1HG1 ILE 35 -3.826 5.519 -4.776 305 HG21 ILE 35 1HG2 ILE 35 -4.735 5.027 -1.269 306 HG22 ILE 35 2HG2 ILE 35 -3.009 4.678 -1.247 307 HG23 ILE 35 3HG2 ILE 35 -4.022 4.022 -2.531 308 HD11 ILE 35 3HD1 ILE 35 -1.199 6.835 -4.055 309 HD12 ILE 35 1HD1 ILE 35 -2.626 7.759 -4.526 310 HD13 ILE 35 2HD1 ILE 35 -1.897 6.622 -5.660 311 H PHE 36 H PHE 36 -6.688 5.914 -1.384 312 HA PHE 36 HA PHE 36 -7.542 3.680 -2.940 313 HB2 PHE 36 2HB PHE 36 -8.923 5.250 -0.749 314 HB3 PHE 36 1HB PHE 36 -9.562 3.755 -1.428 315 HD1 PHE 36 1HD PHE 36 -6.866 5.249 0.587 316 HD2 PHE 36 2HD PHE 36 -8.481 1.610 -1.019 317 HE1 PHE 36 1HE PHE 36 -5.405 3.936 2.096 318 HE2 PHE 36 2HE PHE 36 -7.015 0.295 0.488 319 HZ PHE 36 HZ PHE 36 -5.476 1.458 2.047 320 H GLY 37 H GLY 37 -9.143 3.492 -4.494 321 HA2 GLY 37 2HA GLY 37 -10.787 4.162 -6.034 322 HA3 GLY 37 1HA GLY 37 -11.143 5.522 -4.967 323 H ARG 38 H ARG 38 -7.866 5.063 -6.007 324 HA ARG 38 HA ARG 38 -8.204 7.157 -8.097 325 HB2 ARG 38 2HB ARG 38 -6.144 7.198 -5.874 326 HB3 ARG 38 1HB ARG 38 -6.181 8.314 -7.238 327 HG2 ARG 38 2HG ARG 38 -8.488 9.001 -6.548 328 HG3 ARG 38 1HG ARG 38 -8.318 7.986 -5.116 329 HD2 ARG 38 2HD ARG 38 -6.207 9.299 -4.576 330 HD3 ARG 38 1HD ARG 38 -6.680 10.419 -5.854 331 HE ARG 38 HE ARG 38 -8.843 9.999 -3.980 332 HH11 ARG 38 1HH2 ARG 38 -5.837 11.591 -4.535 333 HH12 ARG 38 2HH2 ARG 38 -6.191 12.917 -3.477 334 HH21 ARG 38 1HH1 ARG 38 -9.324 11.720 -2.595 335 HH22 ARG 38 2HH1 ARG 38 -8.166 12.990 -2.380 336 H HIS 39 H HIS 39 -6.336 7.254 -9.589 337 HA HIS 39 HA HIS 39 -5.193 4.552 -9.980 338 HB2 HIS 39 2HB HIS 39 -5.255 7.003 -11.765 339 HB3 HIS 39 1HB HIS 39 -4.512 5.468 -12.211 340 HD1 HIS 39 1HD HIS 39 -7.841 7.105 -11.675 341 HD2 HIS 39 2HD HIS 39 -6.361 3.353 -12.741 342 HE1 HIS 39 1HE HIS 39 -9.819 5.768 -12.526 343 HE2 HIS 39 2HE HIS 39 -8.931 3.484 -13.177 344 H SER 40 H SER 40 -2.875 4.348 -10.478 345 HA SER 40 HA SER 40 -1.211 5.687 -8.585 346 HB2 SER 40 2HB SER 40 0.624 4.531 -9.633 347 HB3 SER 40 1HB SER 40 -0.764 3.446 -9.676 348 HG SER 40 HG SER 40 0.130 5.153 -11.768 349 H GLY 41 H GLY 41 0.619 7.138 -9.074 350 HA2 GLY 41 2HA GLY 41 1.688 8.882 -10.281 351 HA3 GLY 41 1HA GLY 41 0.559 8.613 -11.611 352 H GLN 42 H GLN 42 -1.172 8.739 -8.768 353 HA GLN 42 HA GLN 42 -2.542 11.144 -9.426 354 HB2 GLN 42 2HB GLN 42 -3.361 9.269 -7.928 355 HB3 GLN 42 1HB GLN 42 -2.345 9.955 -6.657 356 HG2 GLN 42 2HG GLN 42 -4.504 10.921 -6.352 357 HG3 GLN 42 1HG GLN 42 -3.523 12.176 -7.101 358 HE21 GLN 42 1HE2 GLN 42 -4.889 13.264 -8.538 359 HE22 GLN 42 2HE2 GLN 42 -5.911 12.507 -9.661 360 H ALA 43 H ALA 43 0.228 10.556 -7.298 361 HA ALA 43 HA ALA 43 0.271 13.047 -5.956 362 HB1 ALA 43 1HB ALA 43 2.412 12.476 -5.268 363 HB2 ALA 43 2HB ALA 43 2.852 11.818 -6.846 364 HB3 ALA 43 3HB ALA 43 1.813 10.893 -5.764 365 H GLU 44 H GLU 44 1.402 12.173 -9.187 366 HA GLU 44 HA GLU 44 2.386 13.516 -10.867 367 HB2 GLU 44 2HB GLU 44 0.272 15.378 -9.739 368 HB3 GLU 44 1HB GLU 44 1.062 15.574 -11.303 369 HG2 GLU 44 2HG GLU 44 0.214 13.332 -11.980 370 HG3 GLU 44 1HG GLU 44 -0.642 13.218 -10.441 371 H GLY 45 H GLY 45 3.369 13.847 -7.947 372 HA2 GLY 45 2HA GLY 45 4.699 16.501 -8.352 373 HA3 GLY 45 1HA GLY 45 4.308 15.853 -6.759 374 H TYR 46 H TYR 46 5.083 13.141 -7.320 375 HA TYR 46 HA TYR 46 8.049 13.504 -7.439 376 HB2 TYR 46 2HB TYR 46 7.136 12.683 -5.275 377 HB3 TYR 46 1HB TYR 46 6.445 11.294 -6.115 378 HD1 TYR 46 1HD TYR 46 9.628 13.010 -5.247 379 HD2 TYR 46 2HD TYR 46 7.796 9.420 -6.734 380 HE1 TYR 46 1HE TYR 46 11.798 11.822 -5.054 381 HE2 TYR 46 2HE TYR 46 9.968 8.233 -6.544 382 HH TYR 46 HH TYR 46 12.224 8.561 -6.302 383 H SER 47 H SER 47 9.183 12.332 -8.953 384 HA SER 47 HA SER 47 7.849 11.235 -11.203 385 HB2 SER 47 2HB SER 47 10.662 10.639 -10.245 386 HB3 SER 47 1HB SER 47 10.049 10.392 -11.878 387 HG SER 47 HG SER 47 10.822 12.701 -10.582 388 H TYR 48 H TYR 48 7.648 9.036 -11.892 389 HA TYR 48 HA TYR 48 7.619 7.056 -9.647 390 HB2 TYR 48 2HB TYR 48 5.739 7.511 -11.952 391 HB3 TYR 48 1HB TYR 48 5.864 5.917 -11.213 392 HD1 TYR 48 1HD TYR 48 5.378 9.526 -10.315 393 HD2 TYR 48 2HD TYR 48 4.614 5.422 -9.302 394 HE1 TYR 48 1HE TYR 48 3.884 10.258 -8.475 395 HE2 TYR 48 2HE TYR 48 3.124 6.153 -7.461 396 HH TYR 48 HH TYR 48 2.006 7.917 -6.594 397 H THR 49 H THR 49 8.088 4.811 -10.316 398 HA THR 49 HA THR 49 10.310 4.717 -12.191 399 HB THR 49 HB THR 49 10.515 2.409 -11.560 400 HG1 THR 49 1HG THR 49 8.518 1.861 -10.040 401 HG21 THR 49 3HG2 THR 49 9.483 4.081 -9.256 402 HG22 THR 49 1HG2 THR 49 11.159 3.906 -9.775 403 HG23 THR 49 2HG2 THR 49 10.312 2.536 -9.058 404 H ASP 50 H ASP 50 10.352 3.295 -14.098 405 HA ASP 50 HA ASP 50 8.181 3.720 -15.874 406 HB2 ASP 50 2HB ASP 50 10.406 1.679 -15.943 407 HB3 ASP 50 1HB ASP 50 9.298 1.959 -17.283 408 H ALA 51 H ALA 51 8.852 1.114 -13.625 409 HA ALA 51 HA ALA 51 7.209 -0.932 -14.562 410 HB1 ALA 51 1HB ALA 51 6.902 -1.572 -12.189 411 HB2 ALA 51 2HB ALA 51 7.535 -0.000 -11.698 412 HB3 ALA 51 3HB ALA 51 8.575 -1.144 -12.543 413 H ASN 52 H ASN 52 5.977 1.051 -11.872 414 HA ASN 52 HA ASN 52 3.268 0.510 -12.352 415 HB2 ASN 52 2HB ASN 52 4.116 1.610 -10.301 416 HB3 ASN 52 1HB ASN 52 4.407 3.083 -11.226 417 HD21 ASN 52 1HD2 ASN 52 1.796 0.929 -10.034 418 HD22 ASN 52 2HD2 ASN 52 0.558 2.074 -10.227 419 H ILE 53 H ILE 53 5.181 3.251 -13.667 420 HA ILE 53 HA ILE 53 3.018 4.494 -15.013 421 HB ILE 53 HB ILE 53 5.946 4.356 -15.762 422 HG12 ILE 53 2HG1 ILE 53 5.583 5.293 -13.533 423 HG13 ILE 53 1HG1 ILE 53 6.011 6.580 -14.649 424 HG21 ILE 53 1HG2 ILE 53 5.174 5.286 -17.680 425 HG22 ILE 53 2HG2 ILE 53 4.994 6.737 -16.696 426 HG23 ILE 53 3HG2 ILE 53 3.610 5.681 -16.971 427 HD11 ILE 53 3HD1 ILE 53 4.190 7.559 -13.612 428 HD12 ILE 53 1HD1 ILE 53 3.390 6.013 -13.335 429 HD13 ILE 53 2HD1 ILE 53 3.368 6.743 -14.938 430 H LYS 54 H LYS 54 5.191 1.872 -16.015 431 HA LYS 54 HA LYS 54 4.236 1.631 -18.695 432 HB2 LYS 54 2HB LYS 54 6.281 0.491 -17.788 433 HB3 LYS 54 1HB LYS 54 5.224 -0.603 -16.896 434 HG2 LYS 54 2HG LYS 54 4.171 -1.299 -19.034 435 HG3 LYS 54 1HG LYS 54 5.294 -0.254 -19.906 436 HD2 LYS 54 2HD LYS 54 7.191 -1.535 -18.874 437 HD3 LYS 54 1HD LYS 54 6.006 -2.648 -18.190 438 HE2 LYS 54 2HE LYS 54 6.215 -2.041 -21.151 439 HE3 LYS 54 1HE LYS 54 7.005 -3.415 -20.379 440 HZ1 LYS 54 3HZ LYS 54 4.783 -4.086 -19.548 441 HZ2 LYS 54 1HZ LYS 54 4.922 -4.139 -21.237 442 HZ3 LYS 54 2HZ LYS 54 4.093 -2.855 -20.494 443 H LYS 55 H LYS 55 3.098 0.308 -15.624 444 HA LYS 55 HA LYS 55 0.606 -0.584 -17.025 445 HB2 LYS 55 2HB LYS 55 2.044 -2.496 -16.239 446 HB3 LYS 55 1HB LYS 55 1.878 -1.884 -14.594 447 HG2 LYS 55 2HG LYS 55 -0.585 -2.106 -14.773 448 HG3 LYS 55 1HG LYS 55 -0.396 -2.766 -16.398 449 HD2 LYS 55 2HD LYS 55 1.033 -4.586 -15.426 450 HD3 LYS 55 1HD LYS 55 0.649 -3.969 -13.820 451 HE2 LYS 55 2HE LYS 55 -0.961 -5.655 -14.130 452 HE3 LYS 55 1HE LYS 55 -1.832 -4.190 -14.582 453 HZ1 LYS 55 3HZ LYS 55 -0.898 -4.738 -16.922 454 HZ2 LYS 55 1HZ LYS 55 -2.269 -5.558 -16.350 455 HZ3 LYS 55 2HZ LYS 55 -0.748 -6.313 -16.301 456 H ASN 56 H ASN 56 -0.993 0.794 -16.375 457 HA ASN 56 HA ASN 56 -0.779 2.051 -13.698 458 HB2 ASN 56 2HB ASN 56 -1.350 3.322 -15.888 459 HB3 ASN 56 1HB ASN 56 -2.954 2.606 -15.711 460 HD21 ASN 56 1HD2 ASN 56 -1.849 2.877 -12.601 461 HD22 ASN 56 2HD2 ASN 56 -2.455 4.413 -12.209 462 H VAL 57 H VAL 57 -2.131 1.510 -12.031 463 HA VAL 57 HA VAL 57 -4.410 -0.322 -12.641 464 HB VAL 57 HB VAL 57 -2.492 -1.616 -11.752 465 HG11 VAL 57 1HG1 VAL 57 -1.981 0.622 -10.262 466 HG12 VAL 57 2HG1 VAL 57 -1.302 -0.968 -9.919 467 HG13 VAL 57 3HG1 VAL 57 -2.742 -0.420 -9.060 468 HG21 VAL 57 3HG2 VAL 57 -3.807 -2.878 -10.311 469 HG22 VAL 57 1HG2 VAL 57 -5.051 -1.897 -11.087 470 HG23 VAL 57 2HG2 VAL 57 -4.448 -1.455 -9.490 471 H LEU 58 H LEU 58 -6.229 -0.069 -11.301 472 HA LEU 58 HA LEU 58 -6.438 2.535 -9.966 473 HB2 LEU 58 2HB LEU 58 -8.326 1.677 -11.300 474 HB3 LEU 58 1HB LEU 58 -8.438 0.266 -10.249 475 HG LEU 58 HG LEU 58 -8.882 1.790 -8.316 476 HD11 LEU 58 1HD1 LEU 58 -8.298 3.784 -10.406 477 HD12 LEU 58 2HD1 LEU 58 -8.181 3.921 -8.651 478 HD13 LEU 58 3HD1 LEU 58 -9.737 4.136 -9.450 479 HD21 LEU 58 3HD2 LEU 58 -10.945 1.101 -8.972 480 HD22 LEU 58 1HD2 LEU 58 -10.613 1.421 -10.674 481 HD23 LEU 58 2HD2 LEU 58 -11.111 2.737 -9.610 482 H TRP 59 H TRP 59 -6.342 2.855 -7.769 483 HA TRP 59 HA TRP 59 -5.766 0.458 -6.118 484 HB2 TRP 59 2HB TRP 59 -5.343 3.416 -5.643 485 HB3 TRP 59 1HB TRP 59 -5.043 2.182 -4.415 486 HD1 TRP 59 HD TRP 59 -3.573 3.731 -7.477 487 HE1 TRP 59 1HE TRP 59 -1.338 2.582 -8.060 488 HE3 TRP 59 3HE TRP 59 -3.768 -0.216 -4.272 489 HZ2 TRP 59 2HZ TRP 59 0.174 0.285 -7.257 490 HZ3 TRP 59 3HZ TRP 59 -1.925 -1.858 -4.186 491 HH2 TRP 59 HH TRP 59 0.048 -1.617 -5.678 492 H ASP 60 H ASP 60 -7.214 -0.316 -4.756 493 HA ASP 60 HA ASP 60 -9.245 1.404 -3.500 494 HB2 ASP 60 2HB ASP 60 -10.213 0.593 -5.710 495 HB3 ASP 60 1HB ASP 60 -10.090 -1.047 -5.074 496 H GLU 61 H GLU 61 -10.489 0.000 -1.838 497 HA GLU 61 HA GLU 61 -8.637 -1.370 -0.192 498 HB2 GLU 61 2HB GLU 61 -11.658 -1.618 -0.287 499 HB3 GLU 61 1HB GLU 61 -10.640 -2.217 1.025 500 HG2 GLU 61 2HG GLU 61 -9.789 0.087 1.389 501 HG3 GLU 61 1HG GLU 61 -10.871 0.670 0.122 502 H ASN 62 H ASN 62 -10.822 -2.601 -2.687 503 HA ASN 62 HA ASN 62 -10.240 -5.391 -2.098 504 HB2 ASN 62 2HB ASN 62 -12.333 -4.602 -3.241 505 HB3 ASN 62 1HB ASN 62 -11.353 -4.191 -4.650 506 HD21 ASN 62 1HD2 ASN 62 -10.844 -5.872 -6.095 507 HD22 ASN 62 2HD2 ASN 62 -11.189 -7.511 -5.809 508 H ASN 63 H ASN 63 -9.393 -3.288 -4.868 509 HA ASN 63 HA ASN 63 -7.504 -5.113 -5.990 510 HB2 ASN 63 2HB ASN 63 -8.539 -3.155 -7.181 511 HB3 ASN 63 1HB ASN 63 -7.464 -2.099 -6.258 512 HD21 ASN 63 1HD2 ASN 63 -5.331 -1.854 -7.031 513 HD22 ASN 63 2HD2 ASN 63 -4.666 -2.775 -8.292 514 H MET 64 H MET 64 -7.087 -2.410 -3.729 515 HA MET 64 HA MET 64 -4.252 -2.431 -3.669 516 HB2 MET 64 2HB MET 64 -5.706 -0.677 -2.633 517 HB3 MET 64 1HB MET 64 -6.107 -1.818 -1.349 518 HG2 MET 64 2HG MET 64 -3.708 -2.002 -0.775 519 HG3 MET 64 1HG MET 64 -3.322 -0.837 -2.042 520 HE1 MET 64 3HE MET 64 -4.102 1.350 -2.270 521 HE2 MET 64 1HE MET 64 -4.582 2.462 -0.978 522 HE3 MET 64 2HE MET 64 -5.779 1.417 -1.735 523 H SER 65 H SER 65 -6.620 -4.424 -1.940 524 HA SER 65 HA SER 65 -4.778 -5.667 -0.139 525 HB2 SER 65 2HB SER 65 -6.478 -7.370 0.152 526 HB3 SER 65 1HB SER 65 -7.290 -5.815 -0.008 527 HG SER 65 HG SER 65 -8.259 -6.623 -1.675 528 H GLU 66 H GLU 66 -5.666 -6.377 -3.497 529 HA GLU 66 HA GLU 66 -4.337 -8.907 -3.679 530 HB2 GLU 66 2HB GLU 66 -4.897 -6.805 -5.793 531 HB3 GLU 66 1HB GLU 66 -4.341 -8.441 -6.134 532 HG2 GLU 66 2HG GLU 66 -6.346 -9.345 -4.979 533 HG3 GLU 66 1HG GLU 66 -6.915 -7.696 -4.717 534 H HIS 67 H HIS 67 -3.212 -5.579 -4.069 535 HA HIS 67 HA HIS 67 -0.652 -6.128 -5.178 536 HB2 HIS 67 2HB HIS 67 -1.622 -3.881 -5.053 537 HB3 HIS 67 1HB HIS 67 -1.491 -3.909 -3.294 538 HD1 HIS 67 1HD HIS 67 0.792 -4.231 -6.331 539 HD2 HIS 67 2HD HIS 67 0.927 -2.901 -2.390 540 HE1 HIS 67 1HE HIS 67 3.097 -3.235 -5.998 541 HE2 HIS 67 2HE HIS 67 3.192 -2.428 -3.593 542 H LEU 68 H LEU 68 -1.698 -5.925 -1.782 543 HA LEU 68 HA LEU 68 0.887 -6.312 -0.635 544 HB2 LEU 68 2HB LEU 68 -1.925 -6.766 0.335 545 HB3 LEU 68 1HB LEU 68 -0.556 -7.289 1.313 546 HG LEU 68 HG LEU 68 0.317 -5.061 1.450 547 HD11 LEU 68 1HD1 LEU 68 0.026 -4.202 -0.741 548 HD12 LEU 68 2HD1 LEU 68 -1.009 -3.191 0.269 549 HD13 LEU 68 3HD1 LEU 68 -1.713 -4.479 -0.705 550 HD21 LEU 68 3HD2 LEU 68 -1.442 -5.372 3.038 551 HD22 LEU 68 1HD2 LEU 68 -2.686 -5.184 1.803 552 HD23 LEU 68 2HD2 LEU 68 -1.732 -3.792 2.312 553 H THR 69 H THR 69 -1.477 -8.596 -1.925 554 HA THR 69 HA THR 69 0.085 -10.879 -0.899 555 HB THR 69 HB THR 69 -2.242 -10.958 -2.835 556 HG1 THR 69 1HG THR 69 -3.349 -11.442 -0.744 557 HG21 THR 69 3HG2 THR 69 -2.376 -13.220 -2.319 558 HG22 THR 69 1HG2 THR 69 -1.571 -13.019 -0.764 559 HG23 THR 69 2HG2 THR 69 -0.633 -12.967 -2.256 560 H ASN 70 H ASN 70 1.649 -11.884 -2.047 561 HA ASN 70 HA ASN 70 3.256 -12.090 -3.773 562 HB2 ASN 70 2HB ASN 70 0.576 -12.705 -5.019 563 HB3 ASN 70 1HB ASN 70 2.085 -12.911 -5.912 564 HD21 ASN 70 1HD2 ASN 70 -0.002 -14.845 -4.486 565 HD22 ASN 70 2HD2 ASN 70 1.018 -15.938 -3.682 566 HA PRO 71 HA PRO 71 2.133 -7.750 -5.447 567 HB2 PRO 71 2HB PRO 71 4.621 -6.768 -4.551 568 HB3 PRO 71 1HB PRO 71 3.044 -6.462 -3.802 569 HG2 PRO 71 2HG PRO 71 5.161 -8.372 -3.035 570 HG3 PRO 71 1HG PRO 71 3.968 -7.533 -2.028 571 HD2 PRO 71 2HD PRO 71 3.759 -10.177 -2.630 572 HD3 PRO 71 1HD PRO 71 2.335 -9.138 -2.387 573 H ALA 72 H ALA 72 4.582 -10.138 -5.658 574 HA ALA 72 HA ALA 72 6.312 -8.967 -7.607 575 HB1 ALA 72 1HB ALA 72 6.358 -11.285 -6.217 576 HB2 ALA 72 2HB ALA 72 7.317 -11.028 -7.676 577 HB3 ALA 72 3HB ALA 72 5.780 -11.888 -7.771 578 H LYS 73 H LYS 73 6.352 -9.337 -9.894 579 HA LYS 73 HA LYS 73 5.431 -9.506 -12.037 580 HB2 LYS 73 2HB LYS 73 4.732 -11.797 -11.147 581 HB3 LYS 73 1HB LYS 73 3.159 -11.077 -10.804 582 HG2 LYS 73 2HG LYS 73 2.972 -10.389 -13.179 583 HG3 LYS 73 1HG LYS 73 4.511 -11.184 -13.512 584 HD2 LYS 73 2HD LYS 73 3.519 -13.327 -12.661 585 HD3 LYS 73 1HD LYS 73 1.965 -12.502 -12.531 586 HE2 LYS 73 2HE LYS 73 1.956 -12.042 -14.921 587 HE3 LYS 73 1HE LYS 73 3.574 -12.722 -15.090 588 HZ1 LYS 73 3HZ LYS 73 1.564 -14.190 -15.637 589 HZ2 LYS 73 1HZ LYS 73 1.374 -14.328 -13.959 590 HZ3 LYS 73 2HZ LYS 73 2.811 -14.855 -14.696 591 H TYR 74 H TYR 74 3.174 -8.720 -9.415 592 HA TYR 74 HA TYR 74 1.184 -7.438 -11.000 593 HB2 TYR 74 2HB TYR 74 0.792 -7.947 -8.657 594 HB3 TYR 74 1HB TYR 74 2.111 -6.888 -8.168 595 HD1 TYR 74 1HD TYR 74 -1.221 -6.901 -9.874 596 HD2 TYR 74 2HD TYR 74 1.761 -4.590 -7.820 597 HE1 TYR 74 1HE TYR 74 -2.786 -4.975 -9.754 598 HE2 TYR 74 2HE TYR 74 0.200 -2.674 -7.702 599 HH TYR 74 HH TYR 74 -1.854 -1.968 -8.069 600 H ILE 75 H ILE 75 4.043 -6.042 -9.351 601 HA ILE 75 HA ILE 75 4.077 -3.920 -11.429 602 HB ILE 75 HB ILE 75 3.933 -3.499 -8.441 603 HG12 ILE 75 2HG1 ILE 75 1.923 -3.464 -10.120 604 HG13 ILE 75 1HG1 ILE 75 2.056 -2.186 -8.920 605 HG21 ILE 75 1HG2 ILE 75 5.337 -1.860 -10.499 606 HG22 ILE 75 2HG2 ILE 75 5.679 -2.043 -8.779 607 HG23 ILE 75 3HG2 ILE 75 4.371 -0.997 -9.304 608 HD11 ILE 75 3HD1 ILE 75 1.647 -1.633 -11.494 609 HD12 ILE 75 1HD1 ILE 75 3.405 -1.765 -11.554 610 HD13 ILE 75 2HD1 ILE 75 2.646 -0.595 -10.477 611 HA PRO 76 HA PRO 76 8.270 -5.593 -10.475 612 HB2 PRO 76 2HB PRO 76 8.867 -6.495 -12.957 613 HB3 PRO 76 1HB PRO 76 7.900 -7.444 -11.813 614 HG2 PRO 76 2HG PRO 76 7.044 -5.918 -14.195 615 HG3 PRO 76 1HG PRO 76 6.362 -7.388 -13.486 616 HD2 PRO 76 2HD PRO 76 5.357 -4.767 -13.161 617 HD3 PRO 76 1HD PRO 76 4.887 -6.194 -12.215 618 H GLY 77 H GLY 77 10.311 -4.629 -11.014 619 HA2 GLY 77 2HA GLY 77 11.755 -3.202 -12.306 620 HA3 GLY 77 1HA GLY 77 10.339 -2.585 -13.154 621 H THR 78 H THR 78 10.146 -2.804 -9.702 622 HA THR 78 HA THR 78 10.607 0.148 -9.510 623 HB THR 78 HB THR 78 8.192 -0.464 -9.383 624 HG1 THR 78 1HG THR 78 8.149 0.373 -6.994 625 HG21 THR 78 3HG2 THR 78 8.405 -2.689 -8.392 626 HG22 THR 78 1HG2 THR 78 7.408 -1.669 -7.355 627 HG23 THR 78 2HG2 THR 78 9.081 -1.996 -6.919 628 H LYS 79 H LYS 79 11.136 0.851 -7.248 629 HA LYS 79 HA LYS 79 13.194 -0.914 -6.142 630 HB2 LYS 79 2HB LYS 79 12.202 1.801 -5.223 631 HB3 LYS 79 1HB LYS 79 13.650 0.987 -4.632 632 HG2 LYS 79 2HG LYS 79 14.533 0.960 -6.975 633 HG3 LYS 79 1HG LYS 79 13.134 1.911 -7.474 634 HD2 LYS 79 2HD LYS 79 15.120 2.763 -5.345 635 HD3 LYS 79 1HD LYS 79 15.144 3.323 -7.018 636 HE2 LYS 79 2HE LYS 79 13.801 4.995 -6.264 637 HE3 LYS 79 1HE LYS 79 12.527 3.779 -6.315 638 HZ1 LYS 79 3HZ LYS 79 12.732 3.353 -4.055 639 HZ2 LYS 79 1HZ LYS 79 12.883 5.039 -4.145 640 HZ3 LYS 79 2HZ LYS 79 14.267 4.075 -3.947 641 H MET 80 H MET 80 9.949 -0.953 -5.802 642 HA MET 80 HA MET 80 9.752 -1.131 -2.892 643 HB2 MET 80 2HB MET 80 7.835 -0.397 -4.272 644 HB3 MET 80 1HB MET 80 7.786 -1.983 -5.038 645 HG2 MET 80 2HG MET 80 7.056 -3.050 -3.093 646 HG3 MET 80 1HG MET 80 7.681 -1.778 -2.043 647 HE1 MET 80 3HE MET 80 4.180 -1.118 -4.946 648 HE2 MET 80 1HE MET 80 5.524 -2.252 -5.130 649 HE3 MET 80 2HE MET 80 5.801 -0.519 -5.279 650 H ALA 81 H ALA 81 10.016 -2.947 -1.676 651 HA ALA 81 HA ALA 81 10.028 -5.591 -3.060 652 HB1 ALA 81 1HB ALA 81 12.076 -6.230 -2.139 653 HB2 ALA 81 2HB ALA 81 12.005 -4.996 -0.880 654 HB3 ALA 81 3HB ALA 81 12.369 -4.539 -2.545 655 H PHE 82 H PHE 82 7.815 -5.366 -1.982 656 HA PHE 82 HA PHE 82 7.923 -5.981 0.933 657 HB2 PHE 82 2HB PHE 82 6.404 -4.150 0.175 658 HB3 PHE 82 1HB PHE 82 5.527 -5.322 -0.809 659 HD1 PHE 82 2HD PHE 82 6.474 -4.434 2.676 660 HD2 PHE 82 1HD PHE 82 3.936 -6.816 0.160 661 HE1 PHE 82 2HE PHE 82 5.124 -5.083 4.652 662 HE2 PHE 82 1HE PHE 82 2.588 -7.467 2.136 663 HZ PHE 82 HZ PHE 82 3.181 -6.599 4.383 664 H GLY 83 H GLY 83 7.385 -8.021 1.654 665 HA2 GLY 83 2HA GLY 83 6.999 -10.113 -0.364 666 HA3 GLY 83 1HA GLY 83 7.164 -10.367 1.375 667 H GLY 84 H GLY 84 5.228 -11.843 0.253 668 HA2 GLY 84 2HA GLY 84 2.674 -10.361 0.397 669 HA3 GLY 84 1HA GLY 84 2.861 -12.042 -0.100 670 H LEU 85 H LEU 85 0.909 -11.251 1.791 671 HA LEU 85 HA LEU 85 2.042 -12.174 4.393 672 HB2 LEU 85 2HB LEU 85 -0.685 -10.979 3.803 673 HB3 LEU 85 1HB LEU 85 -0.005 -11.304 5.399 674 HG LEU 85 HG LEU 85 1.076 -9.342 3.354 675 HD11 LEU 85 1HD1 LEU 85 -0.189 -8.967 6.085 676 HD12 LEU 85 2HD1 LEU 85 -0.921 -8.545 4.537 677 HD13 LEU 85 3HD1 LEU 85 0.505 -7.677 5.104 678 HD21 LEU 85 3HD2 LEU 85 3.010 -10.095 4.433 679 HD22 LEU 85 1HD2 LEU 85 2.157 -10.433 5.939 680 HD23 LEU 85 2HD2 LEU 85 2.517 -8.768 5.486 681 H LYS 86 H LYS 86 1.620 -14.224 5.048 682 HA LYS 86 HA LYS 86 0.233 -16.094 3.376 683 HB2 LYS 86 2HB LYS 86 0.888 -16.335 6.329 684 HB3 LYS 86 1HB LYS 86 0.551 -17.666 5.220 685 HG2 LYS 86 2HG LYS 86 2.521 -17.022 3.867 686 HG3 LYS 86 1HG LYS 86 2.871 -15.727 5.013 687 HD2 LYS 86 2HD LYS 86 2.824 -17.618 6.803 688 HD3 LYS 86 1HD LYS 86 3.036 -18.702 5.427 689 HE2 LYS 86 2HE LYS 86 4.989 -17.222 4.730 690 HE3 LYS 86 1HE LYS 86 4.854 -16.462 6.316 691 HZ1 LYS 86 3HZ LYS 86 5.270 -19.362 5.825 692 HZ2 LYS 86 1HZ LYS 86 5.164 -18.618 7.346 693 HZ3 LYS 86 2HZ LYS 86 6.471 -18.265 6.319 694 H LYS 87 H LYS 87 -0.697 -14.470 6.409 695 HA LYS 87 HA LYS 87 -3.386 -15.676 6.248 696 HB2 LYS 87 2HB LYS 87 -2.138 -13.785 8.256 697 HB3 LYS 87 1HB LYS 87 -3.778 -14.421 8.380 698 HG2 LYS 87 2HG LYS 87 -2.818 -16.739 8.299 699 HG3 LYS 87 1HG LYS 87 -1.206 -16.024 8.367 700 HD2 LYS 87 2HD LYS 87 -1.848 -14.888 10.498 701 HD3 LYS 87 1HD LYS 87 -3.392 -15.741 10.446 702 HE2 LYS 87 2HE LYS 87 -2.330 -17.872 10.662 703 HE3 LYS 87 1HE LYS 87 -0.735 -17.184 10.362 704 HZ1 LYS 87 3HZ LYS 87 -2.360 -16.256 12.638 705 HZ2 LYS 87 1HZ LYS 87 -0.677 -16.194 12.433 706 HZ3 LYS 87 2HZ LYS 87 -1.438 -17.678 12.766 707 H GLU 88 H GLU 88 -5.115 -14.680 5.394 708 HA GLU 88 HA GLU 88 -4.844 -12.096 4.098 709 HB2 GLU 88 2HB GLU 88 -6.301 -13.946 3.242 710 HB3 GLU 88 1HB GLU 88 -7.367 -13.694 4.624 711 HG2 GLU 88 2HG GLU 88 -7.665 -11.320 3.915 712 HG3 GLU 88 1HG GLU 88 -6.688 -11.655 2.485 713 H LYS 89 H LYS 89 -6.230 -13.247 7.131 714 HA LYS 89 HA LYS 89 -7.830 -11.021 7.818 715 HB2 LYS 89 2HB LYS 89 -7.588 -13.194 9.101 716 HB3 LYS 89 1HB LYS 89 -6.078 -12.560 9.749 717 HG2 LYS 89 2HG LYS 89 -7.302 -10.594 10.639 718 HG3 LYS 89 1HG LYS 89 -8.812 -11.281 10.043 719 HD2 LYS 89 2HD LYS 89 -8.365 -13.320 11.440 720 HD3 LYS 89 1HD LYS 89 -6.973 -12.484 12.130 721 HE2 LYS 89 2HE LYS 89 -8.726 -10.575 12.605 722 HE3 LYS 89 1HE LYS 89 -9.895 -11.887 12.463 723 HZ1 LYS 89 3HZ LYS 89 -7.505 -12.142 14.178 724 HZ2 LYS 89 1HZ LYS 89 -8.953 -13.023 14.239 725 HZ3 LYS 89 2HZ LYS 89 -8.924 -11.405 14.751 726 H ASP 90 H ASP 90 -4.373 -11.577 8.477 727 HA ASP 90 HA ASP 90 -3.873 -9.108 9.788 728 HB2 ASP 90 2HB ASP 90 -2.066 -10.837 8.074 729 HB3 ASP 90 1HB ASP 90 -1.500 -9.480 9.045 730 H ARG 91 H ARG 91 -3.925 -9.966 6.357 731 HA ARG 91 HA ARG 91 -2.851 -7.576 5.281 732 HB2 ARG 91 2HB ARG 91 -3.398 -9.655 3.987 733 HB3 ARG 91 1HB ARG 91 -5.106 -9.234 4.117 734 HG2 ARG 91 2HG ARG 91 -4.544 -7.014 3.039 735 HG3 ARG 91 1HG ARG 91 -2.932 -7.659 2.721 736 HD2 ARG 91 2HD ARG 91 -5.562 -8.790 1.731 737 HD3 ARG 91 1HD ARG 91 -4.303 -8.032 0.753 738 HE ARG 91 HE ARG 91 -2.887 -10.052 1.805 739 HH11 ARG 91 1HH2 ARG 91 -6.122 -9.954 0.589 740 HH12 ARG 91 2HH2 ARG 91 -6.137 -11.622 0.133 741 HH21 ARG 91 1HH1 ARG 91 -2.898 -12.227 1.207 742 HH22 ARG 91 2HH1 ARG 91 -4.315 -12.908 0.480 743 H ASN 92 H ASN 92 -6.196 -8.363 6.231 744 HA ASN 92 HA ASN 92 -7.415 -5.981 5.297 745 HB2 ASN 92 2HB ASN 92 -8.098 -7.717 7.685 746 HB3 ASN 92 1HB ASN 92 -9.148 -6.464 7.032 747 HD21 ASN 92 1HD2 ASN 92 -9.252 -6.750 4.391 748 HD22 ASN 92 2HD2 ASN 92 -9.641 -8.331 3.908 749 H ASP 93 H ASP 93 -5.791 -6.684 8.391 750 HA ASP 93 HA ASP 93 -6.428 -4.204 9.645 751 HB2 ASP 93 2HB ASP 93 -4.063 -6.062 10.015 752 HB3 ASP 93 1HB ASP 93 -4.498 -4.755 11.107 753 H LEU 94 H LEU 94 -3.715 -5.207 7.571 754 HA LEU 94 HA LEU 94 -2.187 -2.811 7.842 755 HB2 LEU 94 2HB LEU 94 -1.345 -4.935 6.833 756 HB3 LEU 94 1HB LEU 94 -2.361 -4.628 5.424 757 HG LEU 94 HG LEU 94 -1.185 -2.475 5.064 758 HD11 LEU 94 1HD1 LEU 94 -0.294 -1.675 7.016 759 HD12 LEU 94 2HD1 LEU 94 1.128 -2.559 6.466 760 HD13 LEU 94 3HD1 LEU 94 0.040 -3.287 7.646 761 HD21 LEU 94 3HD2 LEU 94 -0.058 -5.135 4.842 762 HD22 LEU 94 1HD2 LEU 94 1.219 -3.938 5.043 763 HD23 LEU 94 2HD2 LEU 94 0.066 -3.782 3.717 764 H ILE 95 H ILE 95 -4.700 -3.725 5.475 765 HA ILE 95 HA ILE 95 -4.557 -1.244 4.019 766 HB ILE 95 HB ILE 95 -6.917 -3.117 4.318 767 HG12 ILE 95 2HG1 ILE 95 -4.712 -3.088 2.236 768 HG13 ILE 95 1HG1 ILE 95 -4.831 -4.253 3.554 769 HG21 ILE 95 1HG2 ILE 95 -6.206 -1.275 2.024 770 HG22 ILE 95 2HG2 ILE 95 -7.293 -0.796 3.328 771 HG23 ILE 95 3HG2 ILE 95 -7.719 -2.145 2.276 772 HD11 ILE 95 3HD1 ILE 95 -7.280 -4.587 2.592 773 HD12 ILE 95 1HD1 ILE 95 -5.909 -5.430 1.873 774 HD13 ILE 95 2HD1 ILE 95 -6.542 -3.969 1.115 775 H THR 96 H THR 96 -6.395 -2.362 6.810 776 HA THR 96 HA THR 96 -8.213 -0.222 7.071 777 HB THR 96 HB THR 96 -6.846 -1.700 9.336 778 HG1 THR 96 1HG THR 96 -9.208 -2.359 7.915 779 HG21 THR 96 3HG2 THR 96 -8.299 0.364 9.797 780 HG22 THR 96 1HG2 THR 96 -8.753 -1.121 10.631 781 HG23 THR 96 2HG2 THR 96 -9.655 -0.596 9.209 782 H TYR 97 H TYR 97 -4.842 -0.522 8.205 783 HA TYR 97 HA TYR 97 -4.757 1.904 9.693 784 HB2 TYR 97 2HB TYR 97 -2.972 0.172 9.748 785 HB3 TYR 97 1HB TYR 97 -2.510 0.624 8.106 786 HD1 TYR 97 1HD TYR 97 -2.866 1.935 11.576 787 HD2 TYR 97 2HD TYR 97 -1.115 2.495 7.697 788 HE1 TYR 97 1HE TYR 97 -1.455 3.766 12.478 789 HE2 TYR 97 2HE TYR 97 0.293 4.328 8.595 790 HH TYR 97 HH TYR 97 -0.201 5.629 11.788 791 H LEU 98 H LEU 98 -3.819 1.310 6.276 792 HA LEU 98 HA LEU 98 -3.363 4.097 5.706 793 HB2 LEU 98 2HB LEU 98 -4.114 1.811 3.852 794 HB3 LEU 98 1HB LEU 98 -3.559 3.397 3.319 795 HG LEU 98 HG LEU 98 -1.982 1.499 5.081 796 HD11 LEU 98 1HD1 LEU 98 -2.229 1.843 2.171 797 HD12 LEU 98 2HD1 LEU 98 -1.551 0.499 3.088 798 HD13 LEU 98 3HD1 LEU 98 -0.566 1.924 2.753 799 HD21 LEU 98 3HD2 LEU 98 -1.070 3.526 5.663 800 HD22 LEU 98 1HD2 LEU 98 -1.654 4.321 4.202 801 HD23 LEU 98 2HD2 LEU 98 -0.209 3.310 4.139 802 H LYS 99 H LYS 99 -6.165 1.986 5.601 803 HA LYS 99 HA LYS 99 -7.985 3.656 4.225 804 HB2 LYS 99 2HB LYS 99 -8.352 1.257 5.014 805 HB3 LYS 99 1HB LYS 99 -8.649 1.926 6.619 806 HG2 LYS 99 2HG LYS 99 -10.463 3.330 5.664 807 HG3 LYS 99 1HG LYS 99 -10.209 2.547 4.103 808 HD2 LYS 99 2HD LYS 99 -10.695 0.351 5.136 809 HD3 LYS 99 1HD LYS 99 -10.992 1.152 6.678 810 HE2 LYS 99 2HE LYS 99 -12.879 0.674 4.665 811 HE3 LYS 99 1HE LYS 99 -13.086 1.720 6.068 812 HZ1 LYS 99 3HZ LYS 99 -12.284 2.445 3.324 813 HZ2 LYS 99 1HZ LYS 99 -11.868 3.443 4.630 814 HZ3 LYS 99 2HZ LYS 99 -13.502 3.119 4.297 815 H LYS 100 H LYS 100 -7.025 3.571 7.642 816 HA LYS 100 HA LYS 100 -8.869 5.484 8.646 817 HB2 LYS 100 2HB LYS 100 -7.375 4.061 10.049 818 HB3 LYS 100 1HB LYS 100 -6.001 5.032 9.522 819 HG2 LYS 100 2HG LYS 100 -7.138 7.059 10.443 820 HG3 LYS 100 1HG LYS 100 -8.412 6.014 11.072 821 HD2 LYS 100 2HD LYS 100 -6.637 4.723 12.304 822 HD3 LYS 100 1HD LYS 100 -5.476 5.950 11.805 823 HE2 LYS 100 2HE LYS 100 -7.262 7.613 12.822 824 HE3 LYS 100 1HE LYS 100 -7.770 6.185 13.723 825 HZ1 LYS 100 3HZ LYS 100 -5.241 7.655 13.841 826 HZ2 LYS 100 1HZ LYS 100 -5.206 5.984 14.126 827 HZ3 LYS 100 2HZ LYS 100 -6.167 6.991 15.100 828 H ALA 101 H ALA 101 -5.688 5.879 7.136 829 HA ALA 101 HA ALA 101 -5.376 8.666 7.549 830 HB1 ALA 101 1HB ALA 101 -4.277 8.279 5.059 831 HB2 ALA 101 2HB ALA 101 -4.274 6.641 5.714 832 HB3 ALA 101 3HB ALA 101 -3.453 7.940 6.580 833 H THR 102 H THR 102 -7.297 6.890 5.177 834 HA THR 102 HA THR 102 -7.897 9.159 3.502 835 HB THR 102 HB THR 102 -9.654 7.774 2.564 836 HG1 THR 102 1HG THR 102 -10.569 6.209 3.664 837 HG21 THR 102 3HG2 THR 102 -7.523 7.059 1.812 838 HG22 THR 102 1HG2 THR 102 -8.350 5.579 2.292 839 HG23 THR 102 2HG2 THR 102 -7.143 6.299 3.357 840 H GLU 103 H GLU 103 -9.084 8.070 6.580 841 HA GLU 103 HA GLU 103 -11.627 9.424 6.523 842 HB2 GLU 103 2HB GLU 103 -11.002 7.640 8.167 843 HB3 GLU 103 1HB GLU 103 -9.903 8.786 8.935 844 HG2 GLU 103 2HG GLU 103 -11.828 10.327 9.311 845 HG3 GLU 103 1HG GLU 103 -12.904 9.100 8.643 846 HHA HEC 201 HA HEC 104 4.536 2.995 -5.733 847 HHB HEC 201 HB HEC 104 0.905 0.166 -1.399 848 HHC HEC 201 HC HEC 104 6.033 -1.028 2.102 849 HHD HEC 201 HD HEC 104 9.673 1.654 -2.320 850 HMA1 HEC 201 1HMA HEC 104 -0.464 0.786 -3.824 851 HMA2 HEC 201 2HMA HEC 104 -0.311 2.517 -4.127 852 HMA3 HEC 201 3HMA HEC 104 -0.234 1.898 -2.476 853 HAA1 HEC 201 1HAA HEC 104 2.362 1.626 -6.662 854 HAA2 HEC 201 2HAA HEC 104 0.798 2.187 -6.097 855 HBA1 HEC 201 1HBA HEC 104 2.907 3.708 -7.289 856 HBA2 HEC 201 2HBA HEC 104 2.664 4.290 -5.643 857 HMB1 HEC 201 1HMB HEC 104 1.201 -2.519 1.241 858 HMB2 HEC 201 2HMB HEC 104 0.292 -1.007 1.202 859 HMB3 HEC 201 3HMB HEC 104 0.727 -1.820 -0.299 860 HAB HEC 201 HAB HEC 104 4.278 -1.843 3.205 861 HBB1 HEC 201 1HBB HEC 104 1.301 -1.318 3.184 862 HBB2 HEC 201 2HBB HEC 104 2.206 -1.807 4.606 863 HBB3 HEC 201 3HBB HEC 104 2.109 -2.887 3.222 864 HMC1 HEC 201 1HMC HEC 104 8.308 -1.044 2.859 865 HMC2 HEC 201 2HMC HEC 104 9.857 -1.136 2.018 866 HMC3 HEC 201 3HMC HEC 104 8.547 -2.235 1.579 867 HAC HEC 201 HAC HEC 104 10.721 1.680 -0.390 868 HBC1 HEC 201 1HBC HEC 104 12.046 -0.377 1.034 869 HBC2 HEC 201 2HBC HEC 104 10.996 -1.171 -0.139 870 HBC3 HEC 201 3HBC HEC 104 12.192 0.004 -0.683 871 HMD1 HEC 201 1HMD HEC 104 10.316 2.966 -4.210 872 HMD2 HEC 201 2HMD HEC 104 9.676 3.090 -5.849 873 HMD3 HEC 201 3HMD HEC 104 9.902 1.505 -5.110 874 HAD1 HEC 201 1HAD HEC 104 7.946 4.592 -6.123 875 HAD2 HEC 201 2HAD HEC 104 6.192 4.525 -6.102 876 HBD1 HEC 201 1HBD HEC 104 8.063 2.786 -7.721 877 HBD2 HEC 201 2HBD HEC 104 6.329 2.493 -7.584 Start of MODEL 18 1 H1 THR -5 1HT THR -5 -20.043 -8.135 5.341 2 H2 THR -5 2HT THR -5 -18.472 -8.770 5.228 3 H3 THR -5 3HT THR -5 -19.750 -9.503 4.381 4 HA THR -5 HA THR -5 -19.815 -7.914 2.765 5 HB THR -5 HB THR -5 -18.889 -5.615 3.149 6 HG1 THR -5 1HG THR -5 -17.544 -6.581 4.964 7 HG21 THR -5 1HG2 THR -5 -20.786 -4.862 4.295 8 HG22 THR -5 2HG2 THR -5 -20.797 -6.250 5.384 9 HG23 THR -5 3HG2 THR -5 -21.305 -6.442 3.706 10 H GLU -4 H GLU -4 -17.913 -6.718 1.506 11 HA GLU -4 HA GLU -4 -15.835 -8.634 1.116 12 HB2 GLU -4 2HB GLU -4 -15.963 -5.707 0.328 13 HB3 GLU -4 1HB GLU -4 -14.769 -6.857 -0.275 14 HG2 GLU -4 2HG GLU -4 -16.611 -8.268 -1.166 15 HG3 GLU -4 1HG GLU -4 -17.775 -7.061 -0.620 16 H PHE -3 H PHE -3 -16.028 -5.735 3.116 17 HA PHE -3 HA PHE -3 -13.189 -6.110 3.932 18 HB2 PHE -3 2HB PHE -3 -13.981 -3.820 3.306 19 HB3 PHE -3 1HB PHE -3 -15.123 -3.885 4.646 20 HD1 PHE -3 2HD PHE -3 -14.310 -3.984 6.995 21 HD2 PHE -3 1HD PHE -3 -11.625 -3.468 3.681 22 HE1 PHE -3 2HE PHE -3 -12.529 -3.235 8.553 23 HE2 PHE -3 1HE PHE -3 -9.847 -2.719 5.240 24 HZ PHE -3 HZ PHE -3 -10.303 -2.602 7.673 25 H LYS -2 H LYS -2 -12.755 -7.124 5.842 26 HA LYS -2 HA LYS -2 -15.035 -7.731 7.643 27 HB2 LYS -2 2HB LYS -2 -13.458 -9.550 6.911 28 HB3 LYS -2 1HB LYS -2 -12.176 -8.727 7.798 29 HG2 LYS -2 2HG LYS -2 -13.431 -8.948 9.886 30 HG3 LYS -2 1HG LYS -2 -14.781 -9.682 9.021 31 HD2 LYS -2 2HD LYS -2 -13.482 -11.463 10.025 32 HD3 LYS -2 1HD LYS -2 -13.222 -11.513 8.281 33 HE2 LYS -2 2HE LYS -2 -11.056 -10.661 8.444 34 HE3 LYS -2 1HE LYS -2 -11.363 -9.900 10.004 35 HZ1 LYS -2 3HZ LYS -2 -10.098 -11.749 10.535 36 HZ2 LYS -2 1HZ LYS -2 -10.873 -12.746 9.402 37 HZ3 LYS -2 2HZ LYS -2 -11.684 -12.288 10.823 38 H ALA -1 H ALA -1 -15.272 -6.693 9.585 39 HA ALA -1 HA ALA -1 -13.918 -4.350 10.269 40 HB1 ALA -1 1HB ALA -1 -15.894 -4.807 11.486 41 HB2 ALA -1 2HB ALA -1 -14.609 -4.954 12.683 42 HB3 ALA -1 3HB ALA -1 -15.324 -6.402 11.975 43 H GLY 1 H GLY 1 -11.665 -4.629 9.931 44 HA2 GLY 1 2HA GLY 1 -10.281 -6.491 11.805 45 HA3 GLY 1 1HA GLY 1 -9.567 -5.832 10.335 46 H SER 2 H SER 2 -8.991 -5.659 13.418 47 HA SER 2 HA SER 2 -9.186 -2.847 14.049 48 HB2 SER 2 2HB SER 2 -7.858 -3.358 15.966 49 HB3 SER 2 1HB SER 2 -8.858 -4.781 15.692 50 HG SER 2 HG SER 2 -6.636 -5.291 16.030 51 H ALA 3 H ALA 3 -7.430 -1.302 14.074 52 HA ALA 3 HA ALA 3 -5.527 -1.743 11.849 53 HB1 ALA 3 1HB ALA 3 -7.022 0.423 12.475 54 HB2 ALA 3 2HB ALA 3 -5.496 0.533 11.598 55 HB3 ALA 3 3HB ALA 3 -5.537 0.829 13.336 56 H LYS 4 H LYS 4 -5.567 -1.999 15.234 57 HA LYS 4 HA LYS 4 -3.005 -1.003 15.948 58 HB2 LYS 4 2HB LYS 4 -4.543 -3.366 17.065 59 HB3 LYS 4 1HB LYS 4 -3.130 -2.640 17.830 60 HG2 LYS 4 2HG LYS 4 -4.334 -0.451 17.886 61 HG3 LYS 4 1HG LYS 4 -5.764 -1.261 17.243 62 HD2 LYS 4 2HD LYS 4 -5.720 -2.807 19.204 63 HD3 LYS 4 1HD LYS 4 -4.374 -1.879 19.866 64 HE2 LYS 4 2HE LYS 4 -6.134 0.126 19.348 65 HE3 LYS 4 1HE LYS 4 -7.253 -1.187 19.716 66 HZ1 LYS 4 3HZ LYS 4 -5.211 -1.320 21.587 67 HZ2 LYS 4 1HZ LYS 4 -6.822 -0.859 21.847 68 HZ3 LYS 4 2HZ LYS 4 -5.652 0.319 21.484 69 H LYS 5 H LYS 5 -3.939 -4.287 14.857 70 HA LYS 5 HA LYS 5 -1.248 -5.310 14.923 71 HB2 LYS 5 2HB LYS 5 -3.664 -6.204 13.319 72 HB3 LYS 5 1HB LYS 5 -2.165 -7.122 13.470 73 HG2 LYS 5 2HG LYS 5 -2.467 -7.132 15.950 74 HG3 LYS 5 1HG LYS 5 -4.023 -6.331 15.731 75 HD2 LYS 5 2HD LYS 5 -4.756 -8.236 14.290 76 HD3 LYS 5 1HD LYS 5 -3.237 -9.054 14.657 77 HE2 LYS 5 2HE LYS 5 -4.487 -8.131 17.097 78 HE3 LYS 5 1HE LYS 5 -5.611 -9.128 16.174 79 HZ1 LYS 5 3HZ LYS 5 -2.822 -9.997 16.536 80 HZ2 LYS 5 1HZ LYS 5 -4.204 -10.933 16.236 81 HZ3 LYS 5 2HZ LYS 5 -3.957 -10.253 17.773 82 H GLY 6 H GLY 6 -3.274 -4.136 12.223 83 HA2 GLY 6 2HA GLY 6 -1.228 -4.344 10.234 84 HA3 GLY 6 1HA GLY 6 -2.668 -3.335 10.109 85 H ALA 7 H ALA 7 -2.058 -1.802 12.541 86 HA ALA 7 HA ALA 7 -0.593 0.333 11.395 87 HB1 ALA 7 1HB ALA 7 -0.397 1.166 13.769 88 HB2 ALA 7 2HB ALA 7 -1.111 -0.358 14.299 89 HB3 ALA 7 3HB ALA 7 -2.042 0.747 13.285 90 H THR 8 H THR 8 0.494 -2.209 13.651 91 HA THR 8 HA THR 8 3.221 -1.236 13.715 92 HB THR 8 HB THR 8 3.713 -3.327 14.861 93 HG1 THR 8 1HG THR 8 1.275 -4.435 14.820 94 HG21 THR 8 3HG2 THR 8 2.709 -2.428 16.655 95 HG22 THR 8 1HG2 THR 8 1.187 -3.164 16.154 96 HG23 THR 8 2HG2 THR 8 1.605 -1.540 15.605 97 H LEU 9 H LEU 9 1.462 -3.660 11.804 98 HA LEU 9 HA LEU 9 3.707 -4.801 10.470 99 HB2 LEU 9 2HB LEU 9 1.333 -5.651 10.347 100 HB3 LEU 9 1HB LEU 9 0.959 -4.294 9.287 101 HG LEU 9 HG LEU 9 3.029 -5.167 7.915 102 HD11 LEU 9 1HD1 LEU 9 2.155 -7.605 9.490 103 HD12 LEU 9 2HD1 LEU 9 3.756 -6.864 9.501 104 HD13 LEU 9 3HD1 LEU 9 3.165 -7.666 8.046 105 HD21 LEU 9 3HD2 LEU 9 0.186 -5.999 7.977 106 HD22 LEU 9 1HD2 LEU 9 1.254 -7.037 7.035 107 HD23 LEU 9 2HD2 LEU 9 1.131 -5.321 6.653 108 H PHE 10 H PHE 10 1.732 -1.953 9.795 109 HA PHE 10 HA PHE 10 2.992 -1.190 7.336 110 HB2 PHE 10 2HB PHE 10 0.828 -0.267 8.199 111 HB3 PHE 10 1HB PHE 10 1.724 0.580 9.455 112 HD1 PHE 10 2HD PHE 10 1.079 0.369 5.819 113 HD2 PHE 10 1HD PHE 10 3.063 2.527 8.958 114 HE1 PHE 10 2HE PHE 10 1.526 2.239 4.253 115 HE2 PHE 10 1HE PHE 10 3.503 4.394 7.392 116 HZ PHE 10 HZ PHE 10 2.742 4.252 5.044 117 H LYS 11 H LYS 11 3.566 -0.284 10.720 118 HA LYS 11 HA LYS 11 5.723 1.519 10.261 119 HB2 LYS 11 2HB LYS 11 4.417 1.204 12.416 120 HB3 LYS 11 1HB LYS 11 5.357 -0.262 12.681 121 HG2 LYS 11 2HG LYS 11 7.448 1.069 12.553 122 HG3 LYS 11 1HG LYS 11 6.485 2.534 12.357 123 HD2 LYS 11 2HD LYS 11 5.373 2.038 14.543 124 HD3 LYS 11 1HD LYS 11 6.469 0.672 14.750 125 HE2 LYS 11 2HE LYS 11 7.626 3.372 14.152 126 HE3 LYS 11 1HE LYS 11 7.069 3.029 15.790 127 HZ1 LYS 11 3HZ LYS 11 9.106 1.544 14.227 128 HZ2 LYS 11 1HZ LYS 11 8.444 0.967 15.678 129 HZ3 LYS 11 2HZ LYS 11 9.337 2.412 15.669 130 H THR 12 H THR 12 5.672 -1.985 10.805 131 HA THR 12 HA THR 12 8.535 -2.256 10.956 132 HB THR 12 HB THR 12 8.119 -4.649 10.805 133 HG1 THR 12 1HG THR 12 5.907 -5.291 10.414 134 HG21 THR 12 3HG2 THR 12 6.773 -2.859 12.615 135 HG22 THR 12 1HG2 THR 12 7.451 -4.453 12.941 136 HG23 THR 12 2HG2 THR 12 5.789 -4.301 12.371 137 H ARG 13 H ARG 13 6.245 -2.537 8.223 138 HA ARG 13 HA ARG 13 8.620 -2.509 6.432 139 HB2 ARG 13 2HB ARG 13 6.278 -4.414 6.156 140 HB3 ARG 13 1HB ARG 13 7.602 -4.255 5.008 141 HG2 ARG 13 2HG ARG 13 8.026 -4.993 7.916 142 HG3 ARG 13 1HG ARG 13 7.808 -6.190 6.644 143 HD2 ARG 13 2HD ARG 13 9.744 -5.070 5.422 144 HD3 ARG 13 1HD ARG 13 10.044 -4.165 6.905 145 HE ARG 13 HE ARG 13 9.913 -6.872 7.655 146 HH11 ARG 13 1HH2 ARG 13 11.751 -4.800 5.603 147 HH12 ARG 13 2HH2 ARG 13 13.211 -5.720 5.758 148 HH21 ARG 13 1HH1 ARG 13 11.808 -8.085 7.872 149 HH22 ARG 13 2HH1 ARG 13 13.243 -7.579 7.043 150 H CYS 14 H CYS 14 7.245 -0.194 6.753 151 HA CYS 14 HA CYS 14 6.241 0.275 4.097 152 HB2 CYS 14 2HB CYS 14 4.326 -0.925 5.479 153 HB3 CYS 14 1HB CYS 14 4.080 0.701 6.111 154 H LEU 15 H LEU 15 5.826 1.532 7.426 155 HA LEU 15 HA LEU 15 5.672 4.267 6.713 156 HB2 LEU 15 2HB LEU 15 5.224 3.361 8.999 157 HB3 LEU 15 1HB LEU 15 6.957 3.113 9.206 158 HG LEU 15 HG LEU 15 7.176 5.637 8.630 159 HD11 LEU 15 1HD1 LEU 15 5.125 6.914 9.395 160 HD12 LEU 15 2HD1 LEU 15 4.232 5.397 9.294 161 HD13 LEU 15 3HD1 LEU 15 4.949 6.099 7.843 162 HD21 LEU 15 3HD2 LEU 15 5.977 4.563 11.188 163 HD22 LEU 15 1HD2 LEU 15 6.565 6.218 11.035 164 HD23 LEU 15 2HD2 LEU 15 7.678 4.865 10.837 165 H GLN 16 H GLN 16 8.511 2.209 7.248 166 HA GLN 16 HA GLN 16 10.490 4.237 7.227 167 HB2 GLN 16 2HB GLN 16 10.623 1.400 6.161 168 HB3 GLN 16 1HB GLN 16 12.025 2.438 6.425 169 HG2 GLN 16 2HG GLN 16 11.467 2.613 8.812 170 HG3 GLN 16 1HG GLN 16 10.040 1.609 8.562 171 HE21 GLN 16 1HE2 GLN 16 12.092 0.776 10.360 172 HE22 GLN 16 2HE2 GLN 16 12.865 -0.585 9.707 173 H CYS 17 H CYS 17 8.807 2.643 4.550 174 HA CYS 17 HA CYS 17 10.426 4.180 2.599 175 HB2 CYS 17 2HB CYS 17 8.321 2.035 2.274 176 HB3 CYS 17 1HB CYS 17 9.074 2.875 0.920 177 H HIS 18 H HIS 18 7.022 3.806 3.596 178 HA HIS 18 HA HIS 18 6.358 6.201 1.949 179 HB2 HIS 18 2HB HIS 18 4.671 3.986 3.136 180 HB3 HIS 18 1HB HIS 18 3.967 5.448 2.435 181 HD1 HIS 18 1HD HIS 18 4.725 5.906 -0.168 182 HD2 HIS 18 2HD HIS 18 5.290 2.049 1.299 183 HE1 HIS 18 1HE HIS 18 4.979 4.398 -2.196 184 H THR 19 H THR 19 5.901 8.098 2.943 185 HA THR 19 HA THR 19 5.779 8.133 5.909 186 HB THR 19 HB THR 19 6.159 10.536 5.703 187 HG1 THR 19 1HG THR 19 6.177 11.512 3.717 188 HG21 THR 19 3HG2 THR 19 7.989 9.402 3.620 189 HG22 THR 19 1HG2 THR 19 8.015 8.710 5.242 190 HG23 THR 19 2HG2 THR 19 8.370 10.422 5.009 191 H VAL 20 H VAL 20 3.712 8.062 3.269 192 HA VAL 20 HA VAL 20 1.505 8.863 2.907 193 HB VAL 20 HB VAL 20 0.041 7.999 4.865 194 HG11 VAL 20 1HG1 VAL 20 1.734 6.549 2.924 195 HG12 VAL 20 2HG1 VAL 20 -0.011 6.480 3.170 196 HG13 VAL 20 3HG1 VAL 20 1.063 5.557 4.218 197 HG21 VAL 20 3HG2 VAL 20 1.870 8.078 6.555 198 HG22 VAL 20 1HG2 VAL 20 2.736 6.840 5.647 199 HG23 VAL 20 2HG2 VAL 20 1.184 6.463 6.392 200 H GLU 21 H GLU 21 3.133 10.988 3.989 201 HA GLU 21 HA GLU 21 1.245 12.308 5.887 202 HB2 GLU 21 2HB GLU 21 3.673 12.200 6.509 203 HB3 GLU 21 1HB GLU 21 4.041 13.163 5.077 204 HG2 GLU 21 2HG GLU 21 2.524 14.949 5.935 205 HG3 GLU 21 1HG GLU 21 2.280 14.000 7.400 206 H LYS 22 H LYS 22 0.047 14.048 5.188 207 HA LYS 22 HA LYS 22 0.169 14.722 2.336 208 HB2 LYS 22 2HB LYS 22 -2.003 14.515 3.560 209 HB3 LYS 22 1HB LYS 22 -1.563 15.944 4.501 210 HG2 LYS 22 2HG LYS 22 -1.448 17.300 2.485 211 HG3 LYS 22 1HG LYS 22 -1.726 15.882 1.474 212 HD2 LYS 22 2HD LYS 22 -3.822 17.091 1.713 213 HD3 LYS 22 1HD LYS 22 -3.932 15.572 2.599 214 HE2 LYS 22 2HE LYS 22 -4.108 16.617 4.605 215 HE3 LYS 22 1HE LYS 22 -2.867 17.801 4.197 216 HZ1 LYS 22 3HZ LYS 22 -5.048 18.320 2.565 217 HZ2 LYS 22 1HZ LYS 22 -4.474 19.261 3.853 218 HZ3 LYS 22 2HZ LYS 22 -5.671 18.088 4.129 219 H GLY 23 H GLY 23 0.931 16.629 1.474 220 HA2 GLY 23 2HA GLY 23 2.015 18.719 1.397 221 HA3 GLY 23 1HA GLY 23 1.524 18.966 3.075 222 H GLY 24 H GLY 24 3.277 16.089 2.202 223 HA2 GLY 24 2HA GLY 24 5.694 17.204 3.576 224 HA3 GLY 24 1HA GLY 24 5.165 15.531 3.758 225 HA PRO 25 HA PRO 25 8.104 16.088 0.060 226 HB2 PRO 25 2HB PRO 25 10.416 15.192 1.171 227 HB3 PRO 25 1HB PRO 25 9.922 16.896 1.248 228 HG2 PRO 25 2HG PRO 25 9.693 14.766 3.319 229 HG3 PRO 25 1HG PRO 25 10.170 16.461 3.493 230 HD2 PRO 25 2HD PRO 25 7.656 15.556 4.098 231 HD3 PRO 25 1HD PRO 25 7.982 17.214 3.546 232 H HIS 26 H HIS 26 9.420 14.222 -0.939 233 HA HIS 26 HA HIS 26 8.104 11.647 -0.200 234 HB2 HIS 26 2HB HIS 26 9.492 12.478 -2.768 235 HB3 HIS 26 1HB HIS 26 8.704 10.927 -2.493 236 HD1 HIS 26 1HD HIS 26 6.081 10.946 -2.253 237 HD2 HIS 26 2HD HIS 26 7.738 14.619 -3.325 238 HE1 HIS 26 1HE HIS 26 4.167 12.376 -3.095 239 HE2 HIS 26 2HE HIS 26 5.162 14.620 -3.735 240 H LYS 27 H LYS 27 9.372 9.934 0.464 241 HA LYS 27 HA LYS 27 12.308 10.446 0.630 242 HB2 LYS 27 2HB LYS 27 10.930 9.945 2.734 243 HB3 LYS 27 1HB LYS 27 10.749 8.309 2.102 244 HG2 LYS 27 2HG LYS 27 12.646 8.095 3.453 245 HG3 LYS 27 1HG LYS 27 13.362 8.394 1.870 246 HD2 LYS 27 2HD LYS 27 13.683 10.742 2.392 247 HD3 LYS 27 1HD LYS 27 12.796 10.568 3.906 248 HE2 LYS 27 2HE LYS 27 14.549 9.544 4.973 249 HE3 LYS 27 1HE LYS 27 15.107 8.739 3.506 250 HZ1 LYS 27 3HZ LYS 27 15.862 10.946 2.711 251 HZ2 LYS 27 1HZ LYS 27 16.683 10.405 4.093 252 HZ3 LYS 27 2HZ LYS 27 15.477 11.592 4.235 253 H VAL 28 H VAL 28 12.009 7.273 1.210 254 HA VAL 28 HA VAL 28 13.184 6.454 -1.263 255 HB VAL 28 HB VAL 28 11.780 4.834 0.884 256 HG11 VAL 28 1HG1 VAL 28 13.060 2.921 -0.115 257 HG12 VAL 28 2HG1 VAL 28 13.499 3.973 -1.460 258 HG13 VAL 28 3HG1 VAL 28 11.808 3.557 -1.182 259 HG21 VAL 28 3HG2 VAL 28 13.844 4.646 1.918 260 HG22 VAL 28 1HG2 VAL 28 14.017 6.253 1.212 261 HG23 VAL 28 2HG2 VAL 28 14.734 4.858 0.410 262 H GLY 29 H GLY 29 9.849 6.351 -0.063 263 HA2 GLY 29 2HA GLY 29 8.971 5.721 -2.853 264 HA3 GLY 29 1HA GLY 29 8.182 5.000 -1.449 265 HA PRO 30 HA PRO 30 6.429 9.303 -2.734 266 HB2 PRO 30 2HB PRO 30 4.035 8.335 -3.734 267 HB3 PRO 30 1HB PRO 30 5.444 8.750 -4.723 268 HG2 PRO 30 2HG PRO 30 4.519 6.089 -3.776 269 HG3 PRO 30 1HG PRO 30 5.229 6.555 -5.332 270 HD2 PRO 30 2HD PRO 30 6.680 5.285 -3.426 271 HD3 PRO 30 1HD PRO 30 7.407 6.487 -4.517 272 H ASN 31 H ASN 31 4.826 10.363 -1.457 273 HA ASN 31 HA ASN 31 4.008 8.933 0.950 274 HB2 ASN 31 2HB ASN 31 3.356 11.726 -0.044 275 HB3 ASN 31 1HB ASN 31 2.933 11.106 1.549 276 HD21 ASN 31 1HD2 ASN 31 5.867 9.698 0.716 277 HD22 ASN 31 2HD2 ASN 31 6.909 10.805 1.466 278 H LEU 32 H LEU 32 2.098 7.828 1.161 279 HA LEU 32 HA LEU 32 0.064 8.176 -0.983 280 HB2 LEU 32 2HB LEU 32 0.600 5.983 1.022 281 HB3 LEU 32 1HB LEU 32 -0.900 6.052 0.098 282 HG LEU 32 HG LEU 32 0.364 6.012 -2.002 283 HD11 LEU 32 1HD1 LEU 32 2.684 6.213 -0.103 284 HD12 LEU 32 2HD1 LEU 32 2.396 7.089 -1.607 285 HD13 LEU 32 3HD1 LEU 32 2.895 5.402 -1.654 286 HD21 LEU 32 3HD2 LEU 32 1.377 3.723 -1.747 287 HD22 LEU 32 1HD2 LEU 32 -0.251 3.852 -1.081 288 HD23 LEU 32 2HD2 LEU 32 1.146 3.869 -0.005 289 H HIS 33 H HIS 33 -1.880 9.083 -0.563 290 HA HIS 33 HA HIS 33 -3.057 9.075 2.108 291 HB2 HIS 33 2HB HIS 33 -1.508 10.957 2.376 292 HB3 HIS 33 1HB HIS 33 -2.097 11.684 0.881 293 HD1 HIS 33 1HD HIS 33 -4.865 12.094 0.935 294 HD2 HIS 33 2HD HIS 33 -2.860 11.901 4.589 295 HE1 HIS 33 1HE HIS 33 -6.392 13.168 2.649 296 HE2 HIS 33 2HE HIS 33 -5.182 13.056 4.875 297 H GLY 34 H GLY 34 -4.971 8.296 1.272 298 HA2 GLY 34 2HA GLY 34 -7.141 8.649 0.349 299 HA3 GLY 34 1HA GLY 34 -6.552 10.144 -0.387 300 H ILE 35 H ILE 35 -4.419 7.569 -0.874 301 HA ILE 35 HA ILE 35 -4.638 7.598 -3.697 302 HB ILE 35 HB ILE 35 -2.721 6.678 -2.261 303 HG12 ILE 35 2HG1 ILE 35 -3.650 4.815 -4.460 304 HG13 ILE 35 1HG1 ILE 35 -3.017 6.428 -4.791 305 HG21 ILE 35 1HG2 ILE 35 -4.424 5.143 -1.032 306 HG22 ILE 35 2HG2 ILE 35 -2.843 4.475 -1.439 307 HG23 ILE 35 3HG2 ILE 35 -4.247 4.086 -2.432 308 HD11 ILE 35 3HD1 ILE 35 -0.882 5.895 -3.918 309 HD12 ILE 35 1HD1 ILE 35 -1.339 4.471 -4.853 310 HD13 ILE 35 2HD1 ILE 35 -1.487 4.457 -3.095 311 H PHE 36 H PHE 36 -6.539 5.959 -1.308 312 HA PHE 36 HA PHE 36 -7.519 3.796 -2.895 313 HB2 PHE 36 2HB PHE 36 -8.818 5.365 -0.648 314 HB3 PHE 36 1HB PHE 36 -9.460 3.865 -1.311 315 HD1 PHE 36 1HD PHE 36 -6.701 5.385 0.618 316 HD2 PHE 36 2HD PHE 36 -8.381 1.731 -0.895 317 HE1 PHE 36 1HE PHE 36 -5.197 4.079 2.094 318 HE2 PHE 36 2HE PHE 36 -6.871 0.426 0.580 319 HZ PHE 36 HZ PHE 36 -5.280 1.601 2.073 320 H GLY 37 H GLY 37 -9.072 3.761 -4.488 321 HA2 GLY 37 2HA GLY 37 -10.749 4.544 -5.947 322 HA3 GLY 37 1HA GLY 37 -11.028 5.879 -4.826 323 H ARG 38 H ARG 38 -7.777 5.363 -5.889 324 HA ARG 38 HA ARG 38 -8.056 7.538 -7.908 325 HB2 ARG 38 2HB ARG 38 -5.976 7.375 -5.711 326 HB3 ARG 38 1HB ARG 38 -5.946 8.535 -7.036 327 HG2 ARG 38 2HG ARG 38 -8.199 9.348 -6.316 328 HG3 ARG 38 1HG ARG 38 -8.104 8.267 -4.926 329 HD2 ARG 38 2HD ARG 38 -5.937 9.410 -4.300 330 HD3 ARG 38 1HD ARG 38 -6.272 10.591 -5.567 331 HE ARG 38 HE ARG 38 -8.438 10.231 -3.613 332 HH11 ARG 38 1HH2 ARG 38 -5.590 11.906 -4.601 333 HH12 ARG 38 2HH2 ARG 38 -5.948 13.330 -3.681 334 HH21 ARG 38 1HH1 ARG 38 -8.921 12.080 -2.407 335 HH22 ARG 38 2HH1 ARG 38 -7.834 13.428 -2.440 336 H HIS 39 H HIS 39 -6.158 7.641 -9.390 337 HA HIS 39 HA HIS 39 -5.198 4.904 -9.984 338 HB2 HIS 39 2HB HIS 39 -5.099 7.475 -11.586 339 HB3 HIS 39 1HB HIS 39 -4.468 5.927 -12.148 340 HD1 HIS 39 1HD HIS 39 -7.683 7.726 -11.397 341 HD2 HIS 39 2HD HIS 39 -6.456 4.020 -12.870 342 HE1 HIS 39 1HE HIS 39 -9.754 6.604 -12.332 343 HE2 HIS 39 2HE HIS 39 -9.019 4.348 -13.232 344 H SER 40 H SER 40 -2.853 4.781 -10.798 345 HA SER 40 HA SER 40 -1.131 5.994 -8.755 346 HB2 SER 40 2HB SER 40 -0.890 3.606 -9.530 347 HB3 SER 40 1HB SER 40 -0.340 4.222 -11.081 348 HG SER 40 HG SER 40 0.869 5.237 -8.786 349 H GLY 41 H GLY 41 0.574 7.440 -9.173 350 HA2 GLY 41 2HA GLY 41 1.974 8.798 -10.578 351 HA3 GLY 41 1HA GLY 41 0.903 8.454 -11.934 352 H GLN 42 H GLN 42 -1.224 9.096 -9.591 353 HA GLN 42 HA GLN 42 -1.929 11.670 -10.608 354 HB2 GLN 42 2HB GLN 42 -3.487 10.088 -9.429 355 HB3 GLN 42 1HB GLN 42 -2.697 10.522 -7.912 356 HG2 GLN 42 2HG GLN 42 -3.303 12.873 -8.239 357 HG3 GLN 42 1HG GLN 42 -4.035 12.487 -9.797 358 HE21 GLN 42 1HE2 GLN 42 -5.754 13.649 -8.004 359 HE22 GLN 42 2HE2 GLN 42 -6.815 12.502 -7.341 360 H ALA 43 H ALA 43 -0.030 10.704 -7.761 361 HA ALA 43 HA ALA 43 0.140 13.269 -6.543 362 HB1 ALA 43 1HB ALA 43 2.184 12.411 -5.453 363 HB2 ALA 43 2HB ALA 43 2.221 11.062 -6.590 364 HB3 ALA 43 3HB ALA 43 0.900 11.201 -5.430 365 H GLU 44 H GLU 44 2.182 11.742 -9.015 366 HA GLU 44 HA GLU 44 3.724 12.659 -10.513 367 HB2 GLU 44 2HB GLU 44 2.124 15.178 -9.973 368 HB3 GLU 44 1HB GLU 44 3.248 14.946 -11.309 369 HG2 GLU 44 2HG GLU 44 1.887 13.020 -12.096 370 HG3 GLU 44 1HG GLU 44 0.731 13.337 -10.801 371 H GLY 45 H GLY 45 3.418 14.097 -7.353 372 HA2 GLY 45 2HA GLY 45 5.588 15.924 -7.423 373 HA3 GLY 45 1HA GLY 45 5.016 15.101 -5.972 374 H TYR 46 H TYR 46 5.499 12.418 -7.015 375 HA TYR 46 HA TYR 46 8.492 12.421 -6.908 376 HB2 TYR 46 2HB TYR 46 7.331 11.437 -4.919 377 HB3 TYR 46 1HB TYR 46 6.585 10.252 -5.990 378 HD1 TYR 46 1HD TYR 46 9.880 11.548 -4.818 379 HD2 TYR 46 2HD TYR 46 7.758 8.305 -6.669 380 HE1 TYR 46 1HE TYR 46 11.910 10.134 -4.665 381 HE2 TYR 46 2HE TYR 46 9.791 6.889 -6.519 382 HH TYR 46 HH TYR 46 12.788 8.024 -6.060 383 H SER 47 H SER 47 9.586 11.210 -8.444 384 HA SER 47 HA SER 47 8.228 10.572 -10.891 385 HB2 SER 47 2HB SER 47 10.654 11.155 -10.734 386 HB3 SER 47 1HB SER 47 10.946 9.607 -9.948 387 HG SER 47 HG SER 47 10.648 10.181 -12.567 388 H TYR 48 H TYR 48 7.831 8.482 -11.809 389 HA TYR 48 HA TYR 48 7.508 6.329 -9.760 390 HB2 TYR 48 2HB TYR 48 5.941 6.977 -12.264 391 HB3 TYR 48 1HB TYR 48 5.786 5.436 -11.421 392 HD1 TYR 48 1HD TYR 48 5.647 9.136 -10.820 393 HD2 TYR 48 2HD TYR 48 4.323 5.232 -9.608 394 HE1 TYR 48 1HE TYR 48 4.088 10.167 -9.191 395 HE2 TYR 48 2HE TYR 48 2.767 6.264 -7.980 396 HH TYR 48 HH TYR 48 1.965 8.147 -7.147 397 H THR 49 H THR 49 8.159 4.212 -10.314 398 HA THR 49 HA THR 49 10.371 4.068 -12.200 399 HB THR 49 HB THR 49 10.675 1.835 -11.406 400 HG1 THR 49 1HG THR 49 9.060 0.623 -10.751 401 HG21 THR 49 3HG2 THR 49 10.449 2.088 -8.928 402 HG22 THR 49 1HG2 THR 49 9.500 3.549 -9.201 403 HG23 THR 49 2HG2 THR 49 11.190 3.490 -9.702 404 H ASP 50 H ASP 50 10.429 2.351 -13.916 405 HA ASP 50 HA ASP 50 8.379 2.670 -15.824 406 HB2 ASP 50 2HB ASP 50 10.380 0.434 -15.476 407 HB3 ASP 50 1HB ASP 50 9.360 0.617 -16.901 408 H ALA 51 H ALA 51 8.707 0.369 -13.201 409 HA ALA 51 HA ALA 51 6.900 -1.627 -13.904 410 HB1 ALA 51 1HB ALA 51 6.999 -2.235 -11.704 411 HB2 ALA 51 2HB ALA 51 6.636 -0.611 -11.127 412 HB3 ALA 51 3HB ALA 51 8.268 -1.016 -11.649 413 H ASN 52 H ASN 52 5.764 0.869 -11.616 414 HA ASN 52 HA ASN 52 3.027 0.493 -12.218 415 HB2 ASN 52 2HB ASN 52 3.913 1.689 -10.209 416 HB3 ASN 52 1HB ASN 52 4.308 3.060 -11.245 417 HD21 ASN 52 1HD2 ASN 52 1.537 1.104 -10.050 418 HD22 ASN 52 2HD2 ASN 52 0.373 2.308 -10.338 419 H ILE 53 H ILE 53 5.325 2.842 -13.630 420 HA ILE 53 HA ILE 53 3.433 4.274 -15.183 421 HB ILE 53 HB ILE 53 6.331 3.653 -15.815 422 HG12 ILE 53 2HG1 ILE 53 5.093 6.060 -14.442 423 HG13 ILE 53 1HG1 ILE 53 5.903 4.743 -13.594 424 HG21 ILE 53 1HG2 ILE 53 5.169 4.474 -17.775 425 HG22 ILE 53 2HG2 ILE 53 6.152 5.785 -17.123 426 HG23 ILE 53 3HG2 ILE 53 4.412 5.759 -16.834 427 HD11 ILE 53 3HD1 ILE 53 7.263 6.285 -15.808 428 HD12 ILE 53 1HD1 ILE 53 8.002 5.252 -14.584 429 HD13 ILE 53 2HD1 ILE 53 7.326 6.815 -14.128 430 H LYS 54 H LYS 54 5.342 1.370 -15.980 431 HA LYS 54 HA LYS 54 4.453 1.080 -18.664 432 HB2 LYS 54 2HB LYS 54 6.312 -0.231 -17.614 433 HB3 LYS 54 1HB LYS 54 5.106 -1.147 -16.710 434 HG2 LYS 54 2HG LYS 54 4.060 -1.846 -18.853 435 HG3 LYS 54 1HG LYS 54 5.325 -0.984 -19.730 436 HD2 LYS 54 2HD LYS 54 7.027 -2.404 -18.552 437 HD3 LYS 54 1HD LYS 54 5.702 -3.332 -17.851 438 HE2 LYS 54 2HE LYS 54 6.211 -4.594 -19.751 439 HE3 LYS 54 1HE LYS 54 4.906 -3.563 -20.341 440 HZ1 LYS 54 3HZ LYS 54 7.821 -3.195 -20.732 441 HZ2 LYS 54 1HZ LYS 54 6.683 -1.986 -21.077 442 HZ3 LYS 54 2HZ LYS 54 6.637 -3.458 -21.923 443 H LYS 55 H LYS 55 3.024 0.045 -15.599 444 HA LYS 55 HA LYS 55 0.498 -0.538 -17.084 445 HB2 LYS 55 2HB LYS 55 1.589 -2.670 -16.450 446 HB3 LYS 55 1HB LYS 55 1.637 -2.139 -14.769 447 HG2 LYS 55 2HG LYS 55 -0.832 -1.982 -14.753 448 HG3 LYS 55 1HG LYS 55 -0.873 -2.538 -16.427 449 HD2 LYS 55 2HD LYS 55 0.321 -4.624 -15.692 450 HD3 LYS 55 1HD LYS 55 0.151 -4.077 -14.024 451 HE2 LYS 55 2HE LYS 55 -2.365 -3.892 -14.515 452 HE3 LYS 55 1HE LYS 55 -2.032 -4.828 -15.973 453 HZ1 LYS 55 3HZ LYS 55 -2.682 -6.195 -14.037 454 HZ2 LYS 55 1HZ LYS 55 -1.278 -5.686 -13.235 455 HZ3 LYS 55 2HZ LYS 55 -1.155 -6.599 -14.662 456 H ASN 56 H ASN 56 -1.076 0.793 -16.326 457 HA ASN 56 HA ASN 56 -0.737 1.949 -13.604 458 HB2 ASN 56 2HB ASN 56 -1.083 3.491 -15.573 459 HB3 ASN 56 1HB ASN 56 -2.699 2.800 -15.749 460 HD21 ASN 56 1HD2 ASN 56 -0.656 4.105 -13.068 461 HD22 ASN 56 2HD2 ASN 56 -1.917 4.963 -12.323 462 H VAL 57 H VAL 57 -2.194 1.502 -12.003 463 HA VAL 57 HA VAL 57 -4.588 -0.132 -12.731 464 HB VAL 57 HB VAL 57 -2.812 -1.585 -11.822 465 HG11 VAL 57 1HG1 VAL 57 -3.039 -0.196 -9.177 466 HG12 VAL 57 2HG1 VAL 57 -1.971 0.493 -10.398 467 HG13 VAL 57 3HG1 VAL 57 -1.708 -1.154 -9.826 468 HG21 VAL 57 3HG2 VAL 57 -5.192 -2.073 -11.310 469 HG22 VAL 57 1HG2 VAL 57 -5.071 -1.085 -9.856 470 HG23 VAL 57 2HG2 VAL 57 -4.133 -2.570 -9.992 471 H LEU 58 H LEU 58 -6.423 0.219 -11.419 472 HA LEU 58 HA LEU 58 -6.522 2.824 -10.104 473 HB2 LEU 58 2HB LEU 58 -8.459 1.993 -11.379 474 HB3 LEU 58 1HB LEU 58 -8.594 0.610 -10.292 475 HG LEU 58 HG LEU 58 -8.957 2.188 -8.388 476 HD11 LEU 58 1HD1 LEU 58 -9.735 4.546 -9.526 477 HD12 LEU 58 2HD1 LEU 58 -8.356 4.121 -10.539 478 HD13 LEU 58 3HD1 LEU 58 -8.154 4.276 -8.793 479 HD21 LEU 58 3HD2 LEU 58 -11.147 3.209 -9.759 480 HD22 LEU 58 1HD2 LEU 58 -11.077 1.646 -8.941 481 HD23 LEU 58 2HD2 LEU 58 -10.733 1.754 -10.668 482 H TRP 59 H TRP 59 -6.372 3.195 -7.924 483 HA TRP 59 HA TRP 59 -5.780 0.859 -6.217 484 HB2 TRP 59 2HB TRP 59 -5.429 3.841 -5.870 485 HB3 TRP 59 1HB TRP 59 -5.165 2.699 -4.552 486 HD1 TRP 59 HD TRP 59 -3.471 4.196 -7.474 487 HE1 TRP 59 1HE TRP 59 -1.249 2.977 -7.955 488 HE3 TRP 59 3HE TRP 59 -4.035 0.127 -4.462 489 HZ2 TRP 59 2HZ TRP 59 0.104 0.579 -7.170 490 HZ3 TRP 59 3HZ TRP 59 -2.273 -1.598 -4.338 491 HH2 TRP 59 HH TRP 59 -0.201 -1.382 -5.687 492 H ASP 60 H ASP 60 -7.227 0.069 -4.837 493 HA ASP 60 HA ASP 60 -9.355 1.775 -3.708 494 HB2 ASP 60 2HB ASP 60 -10.229 0.755 -5.865 495 HB3 ASP 60 1HB ASP 60 -10.028 -0.826 -5.111 496 H GLU 61 H GLU 61 -10.572 0.444 -1.981 497 HA GLU 61 HA GLU 61 -8.715 -0.698 -0.172 498 HB2 GLU 61 2HB GLU 61 -11.713 -1.139 -0.332 499 HB3 GLU 61 1HB GLU 61 -10.704 -1.496 1.070 500 HG2 GLU 61 2HG GLU 61 -11.039 1.244 -0.190 501 HG3 GLU 61 1HG GLU 61 -11.823 0.704 1.293 502 H ASN 62 H ASN 62 -10.856 -2.249 -2.556 503 HA ASN 62 HA ASN 62 -10.041 -4.934 -1.751 504 HB2 ASN 62 2HB ASN 62 -11.612 -5.679 -3.259 505 HB3 ASN 62 1HB ASN 62 -12.225 -4.046 -3.015 506 HD21 ASN 62 1HD2 ASN 62 -11.470 -6.204 -5.437 507 HD22 ASN 62 2HD2 ASN 62 -11.131 -5.110 -6.688 508 H ASN 63 H ASN 63 -9.382 -2.828 -4.567 509 HA ASN 63 HA ASN 63 -7.581 -4.599 -5.875 510 HB2 ASN 63 2HB ASN 63 -8.567 -2.474 -6.834 511 HB3 ASN 63 1HB ASN 63 -7.394 -1.577 -5.868 512 HD21 ASN 63 1HD2 ASN 63 -5.399 -1.224 -6.854 513 HD22 ASN 63 2HD2 ASN 63 -4.797 -2.104 -8.174 514 H MET 64 H MET 64 -7.046 -2.170 -3.354 515 HA MET 64 HA MET 64 -4.206 -2.267 -3.330 516 HB2 MET 64 2HB MET 64 -5.654 -0.604 -2.099 517 HB3 MET 64 1HB MET 64 -5.999 -1.871 -0.921 518 HG2 MET 64 2HG MET 64 -4.177 -0.730 0.039 519 HG3 MET 64 1HG MET 64 -3.416 -2.109 -0.751 520 HE1 MET 64 3HE MET 64 -4.783 1.209 -1.005 521 HE2 MET 64 1HE MET 64 -4.450 1.658 -2.684 522 HE3 MET 64 2HE MET 64 -3.402 2.232 -1.390 523 H SER 65 H SER 65 -6.624 -4.307 -1.711 524 HA SER 65 HA SER 65 -4.801 -5.787 -0.088 525 HB2 SER 65 2HB SER 65 -6.564 -7.442 0.087 526 HB3 SER 65 1HB SER 65 -7.309 -5.846 0.093 527 HG SER 65 HG SER 65 -6.976 -7.507 -2.192 528 H GLU 66 H GLU 66 -5.728 -6.130 -3.486 529 HA GLU 66 HA GLU 66 -4.533 -8.706 -3.900 530 HB2 GLU 66 2HB GLU 66 -5.047 -6.417 -5.821 531 HB3 GLU 66 1HB GLU 66 -4.572 -8.042 -6.308 532 HG2 GLU 66 2HG GLU 66 -6.586 -8.954 -5.177 533 HG3 GLU 66 1HG GLU 66 -7.076 -7.308 -4.769 534 H HIS 67 H HIS 67 -3.264 -5.406 -4.047 535 HA HIS 67 HA HIS 67 -0.763 -5.963 -5.275 536 HB2 HIS 67 2HB HIS 67 -1.714 -3.698 -4.807 537 HB3 HIS 67 1HB HIS 67 -1.324 -3.923 -3.104 538 HD1 HIS 67 1HD HIS 67 0.533 -4.190 -6.427 539 HD2 HIS 67 2HD HIS 67 1.166 -2.877 -2.529 540 HE1 HIS 67 1HE HIS 67 2.880 -3.243 -6.371 541 HE2 HIS 67 2HE HIS 67 3.275 -2.435 -4.003 542 H LEU 68 H LEU 68 -1.720 -6.033 -1.856 543 HA LEU 68 HA LEU 68 0.881 -6.751 -0.853 544 HB2 LEU 68 2HB LEU 68 -1.922 -6.955 0.244 545 HB3 LEU 68 1HB LEU 68 -0.537 -7.569 1.141 546 HG LEU 68 HG LEU 68 0.471 -5.410 1.270 547 HD11 LEU 68 1HD1 LEU 68 0.142 -4.597 -0.969 548 HD12 LEU 68 2HD1 LEU 68 -0.628 -3.440 0.115 549 HD13 LEU 68 3HD1 LEU 68 -1.610 -4.602 -0.772 550 HD21 LEU 68 3HD2 LEU 68 -1.248 -5.555 2.908 551 HD22 LEU 68 1HD2 LEU 68 -2.520 -5.329 1.707 552 HD23 LEU 68 2HD2 LEU 68 -1.476 -3.979 2.147 553 H THR 69 H THR 69 -1.749 -8.602 -2.246 554 HA THR 69 HA THR 69 -0.727 -11.156 -1.252 555 HB THR 69 HB THR 69 -2.716 -10.678 -3.484 556 HG1 THR 69 1HG THR 69 -4.183 -11.109 -1.628 557 HG21 THR 69 3HG2 THR 69 -3.535 -12.923 -2.718 558 HG22 THR 69 1HG2 THR 69 -2.139 -13.016 -1.646 559 HG23 THR 69 2HG2 THR 69 -1.907 -12.961 -3.394 560 H ASN 70 H ASN 70 0.810 -12.365 -2.190 561 HA ASN 70 HA ASN 70 2.648 -12.751 -3.652 562 HB2 ASN 70 2HB ASN 70 0.453 -14.044 -4.348 563 HB3 ASN 70 1HB ASN 70 0.552 -13.010 -5.773 564 HD21 ASN 70 1HD2 ASN 70 1.013 -15.937 -5.712 565 HD22 ASN 70 2HD2 ASN 70 2.612 -16.179 -6.229 566 HA PRO 71 HA PRO 71 2.306 -8.508 -5.760 567 HB2 PRO 71 2HB PRO 71 4.652 -7.561 -4.606 568 HB3 PRO 71 1HB PRO 71 3.018 -7.229 -4.001 569 HG2 PRO 71 2HG PRO 71 5.021 -9.203 -3.053 570 HG3 PRO 71 1HG PRO 71 3.851 -8.243 -2.132 571 HD2 PRO 71 2HD PRO 71 3.467 -10.884 -2.650 572 HD3 PRO 71 1HD PRO 71 2.118 -9.735 -2.515 573 H ALA 72 H ALA 72 3.332 -8.267 -7.733 574 HA ALA 72 HA ALA 72 5.982 -8.587 -8.425 575 HB1 ALA 72 1HB ALA 72 4.635 -11.195 -8.011 576 HB2 ALA 72 2HB ALA 72 6.349 -10.787 -7.913 577 HB3 ALA 72 3HB ALA 72 5.593 -11.055 -9.484 578 H LYS 73 H LYS 73 3.669 -10.675 -10.072 579 HA LYS 73 HA LYS 73 3.974 -9.427 -12.597 580 HB2 LYS 73 2HB LYS 73 1.616 -10.994 -11.502 581 HB3 LYS 73 1HB LYS 73 1.858 -10.602 -13.205 582 HG2 LYS 73 2HG LYS 73 4.051 -11.793 -13.128 583 HG3 LYS 73 1HG LYS 73 3.700 -12.266 -11.466 584 HD2 LYS 73 2HD LYS 73 1.607 -13.373 -12.270 585 HD3 LYS 73 1HD LYS 73 2.087 -12.997 -13.926 586 HE2 LYS 73 2HE LYS 73 3.363 -14.847 -13.967 587 HE3 LYS 73 1HE LYS 73 4.327 -14.202 -12.640 588 HZ1 LYS 73 3HZ LYS 73 3.068 -16.432 -12.355 589 HZ2 LYS 73 1HZ LYS 73 1.722 -15.439 -12.072 590 HZ3 LYS 73 2HZ LYS 73 3.093 -15.312 -11.078 591 H TYR 74 H TYR 74 1.912 -8.652 -9.882 592 HA TYR 74 HA TYR 74 -0.027 -7.013 -11.104 593 HB2 TYR 74 2HB TYR 74 -0.059 -7.642 -8.727 594 HB3 TYR 74 1HB TYR 74 1.375 -6.660 -8.438 595 HD1 TYR 74 1HD TYR 74 -2.219 -6.537 -9.393 596 HD2 TYR 74 2HD TYR 74 1.238 -4.303 -8.178 597 HE1 TYR 74 1HE TYR 74 -3.647 -4.550 -8.975 598 HE2 TYR 74 2HE TYR 74 -0.180 -2.320 -7.769 599 HH TYR 74 HH TYR 74 -2.213 -1.497 -7.775 600 H ILE 75 H ILE 75 3.166 -6.029 -9.794 601 HA ILE 75 HA ILE 75 3.385 -3.994 -11.907 602 HB ILE 75 HB ILE 75 3.122 -3.312 -8.971 603 HG12 ILE 75 2HG1 ILE 75 1.089 -3.148 -10.347 604 HG13 ILE 75 1HG1 ILE 75 1.619 -1.551 -9.844 605 HG21 ILE 75 1HG2 ILE 75 4.947 -1.982 -9.245 606 HG22 ILE 75 2HG2 ILE 75 3.810 -0.936 -10.090 607 HG23 ILE 75 3HG2 ILE 75 4.843 -2.029 -11.006 608 HD11 ILE 75 3HD1 ILE 75 1.514 -2.742 -12.554 609 HD12 ILE 75 1HD1 ILE 75 2.953 -1.783 -12.210 610 HD13 ILE 75 2HD1 ILE 75 1.354 -1.058 -12.057 611 HA PRO 76 HA PRO 76 7.352 -5.948 -10.524 612 HB2 PRO 76 2HB PRO 76 8.012 -7.116 -12.882 613 HB3 PRO 76 1HB PRO 76 6.922 -7.884 -11.712 614 HG2 PRO 76 2HG PRO 76 6.295 -6.493 -14.252 615 HG3 PRO 76 1HG PRO 76 5.499 -7.880 -13.494 616 HD2 PRO 76 2HD PRO 76 4.572 -5.240 -13.405 617 HD3 PRO 76 1HD PRO 76 4.060 -6.546 -12.317 618 H GLY 77 H GLY 77 9.481 -5.186 -10.995 619 HA2 GLY 77 2HA GLY 77 11.067 -4.066 -12.499 620 HA3 GLY 77 1HA GLY 77 9.707 -3.198 -13.204 621 H THR 78 H THR 78 9.567 -3.477 -9.791 622 HA THR 78 HA THR 78 10.692 -0.717 -9.502 623 HB THR 78 HB THR 78 8.166 -0.822 -9.385 624 HG1 THR 78 1HG THR 78 9.152 0.856 -8.366 625 HG21 THR 78 3HG2 THR 78 8.710 -2.281 -6.789 626 HG22 THR 78 1HG2 THR 78 8.096 -3.055 -8.249 627 HG23 THR 78 2HG2 THR 78 7.136 -1.820 -7.432 628 H LYS 79 H LYS 79 11.576 -0.257 -7.369 629 HA LYS 79 HA LYS 79 12.940 -2.599 -6.255 630 HB2 LYS 79 2HB LYS 79 14.217 -0.963 -4.960 631 HB3 LYS 79 1HB LYS 79 14.139 -0.466 -6.650 632 HG2 LYS 79 2HG LYS 79 12.182 0.997 -6.064 633 HG3 LYS 79 1HG LYS 79 12.453 0.594 -4.367 634 HD2 LYS 79 2HD LYS 79 14.803 1.450 -4.603 635 HD3 LYS 79 1HD LYS 79 14.396 1.990 -6.231 636 HE2 LYS 79 2HE LYS 79 13.280 3.802 -5.462 637 HE3 LYS 79 1HE LYS 79 12.447 2.865 -4.223 638 HZ1 LYS 79 3HZ LYS 79 15.205 3.950 -4.086 639 HZ2 LYS 79 1HZ LYS 79 14.543 2.898 -2.934 640 HZ3 LYS 79 2HZ LYS 79 13.866 4.439 -3.163 641 H MET 80 H MET 80 9.921 -1.481 -5.698 642 HA MET 80 HA MET 80 9.729 -1.091 -2.904 643 HB2 MET 80 2HB MET 80 7.801 -0.780 -4.390 644 HB3 MET 80 1HB MET 80 7.771 -2.510 -4.737 645 HG2 MET 80 2HG MET 80 6.956 -3.062 -2.646 646 HG3 MET 80 1HG MET 80 7.684 -1.653 -1.876 647 HE1 MET 80 3HE MET 80 4.833 -2.851 -1.437 648 HE2 MET 80 1HE MET 80 4.554 -3.263 -3.134 649 HE3 MET 80 2HE MET 80 3.494 -2.120 -2.313 650 H ALA 81 H ALA 81 9.847 -4.107 -4.771 651 HA ALA 81 HA ALA 81 9.828 -6.354 -3.989 652 HB1 ALA 81 1HB ALA 81 11.849 -6.478 -2.248 653 HB2 ALA 81 2HB ALA 81 12.128 -4.844 -2.850 654 HB3 ALA 81 3HB ALA 81 12.119 -6.209 -3.970 655 H PHE 82 H PHE 82 7.711 -6.035 -2.836 656 HA PHE 82 HA PHE 82 8.029 -5.988 0.133 657 HB2 PHE 82 2HB PHE 82 6.433 -4.351 -0.833 658 HB3 PHE 82 1HB PHE 82 5.516 -5.682 -1.538 659 HD1 PHE 82 2HD PHE 82 6.626 -4.149 1.663 660 HD2 PHE 82 1HD PHE 82 4.027 -7.011 -0.212 661 HE1 PHE 82 2HE PHE 82 5.396 -4.433 3.797 662 HE2 PHE 82 1HE PHE 82 2.799 -7.295 1.923 663 HZ PHE 82 HZ PHE 82 3.480 -6.005 3.929 664 H GLY 83 H GLY 83 7.673 -7.854 1.261 665 HA2 GLY 83 2HA GLY 83 7.262 -10.336 -0.171 666 HA3 GLY 83 1HA GLY 83 7.333 -10.161 1.583 667 H GLY 84 H GLY 84 5.379 -11.549 -0.361 668 HA2 GLY 84 2HA GLY 84 2.858 -10.146 0.000 669 HA3 GLY 84 1HA GLY 84 3.043 -11.802 -0.581 670 H LEU 85 H LEU 85 1.153 -10.761 1.448 671 HA LEU 85 HA LEU 85 2.158 -12.029 3.939 672 HB2 LEU 85 2HB LEU 85 -0.469 -10.594 3.440 673 HB3 LEU 85 1HB LEU 85 0.210 -11.038 5.007 674 HG LEU 85 HG LEU 85 1.411 -9.080 3.025 675 HD11 LEU 85 1HD1 LEU 85 0.261 -8.690 5.805 676 HD12 LEU 85 2HD1 LEU 85 -0.524 -8.213 4.300 677 HD13 LEU 85 3HD1 LEU 85 0.976 -7.430 4.798 678 HD21 LEU 85 3HD2 LEU 85 2.928 -8.706 5.141 679 HD22 LEU 85 1HD2 LEU 85 3.285 -10.040 4.045 680 HD23 LEU 85 2HD2 LEU 85 2.429 -10.345 5.558 681 H LYS 86 H LYS 86 1.434 -14.026 4.590 682 HA LYS 86 HA LYS 86 -0.309 -15.497 2.727 683 HB2 LYS 86 2HB LYS 86 0.331 -17.468 3.974 684 HB3 LYS 86 1HB LYS 86 1.780 -16.500 3.708 685 HG2 LYS 86 2HG LYS 86 1.456 -15.493 5.982 686 HG3 LYS 86 1HG LYS 86 0.122 -16.617 6.242 687 HD2 LYS 86 2HD LYS 86 1.763 -18.491 5.702 688 HD3 LYS 86 1HD LYS 86 3.041 -17.281 5.817 689 HE2 LYS 86 2HE LYS 86 3.057 -17.628 8.042 690 HE3 LYS 86 1HE LYS 86 1.458 -16.886 8.101 691 HZ1 LYS 86 3HZ LYS 86 0.671 -18.843 8.724 692 HZ2 LYS 86 1HZ LYS 86 2.177 -19.592 8.499 693 HZ3 LYS 86 2HZ LYS 86 1.087 -19.472 7.200 694 H LYS 87 H LYS 87 -0.708 -13.699 5.604 695 HA LYS 87 HA LYS 87 -3.162 -15.215 6.322 696 HB2 LYS 87 2HB LYS 87 -1.661 -13.038 7.796 697 HB3 LYS 87 1HB LYS 87 -3.157 -13.779 8.369 698 HG2 LYS 87 2HG LYS 87 -2.009 -16.019 8.230 699 HG3 LYS 87 1HG LYS 87 -0.505 -15.160 7.888 700 HD2 LYS 87 2HD LYS 87 -0.798 -13.888 10.015 701 HD3 LYS 87 1HD LYS 87 -2.218 -14.874 10.368 702 HE2 LYS 87 2HE LYS 87 -0.198 -16.710 9.702 703 HE3 LYS 87 1HE LYS 87 0.587 -15.517 10.738 704 HZ1 LYS 87 3HZ LYS 87 -2.051 -16.533 11.516 705 HZ2 LYS 87 1HZ LYS 87 -0.766 -16.007 12.489 706 HZ3 LYS 87 2HZ LYS 87 -0.700 -17.536 11.750 707 H GLU 88 H GLU 88 -5.098 -14.446 5.708 708 HA GLU 88 HA GLU 88 -5.305 -11.944 4.240 709 HB2 GLU 88 2HB GLU 88 -7.421 -13.880 5.222 710 HB3 GLU 88 1HB GLU 88 -7.738 -12.509 4.158 711 HG2 GLU 88 2HG GLU 88 -6.126 -13.440 2.512 712 HG3 GLU 88 1HG GLU 88 -5.891 -14.838 3.562 713 H LYS 89 H LYS 89 -6.197 -13.046 7.488 714 HA LYS 89 HA LYS 89 -7.767 -10.804 8.253 715 HB2 LYS 89 2HB LYS 89 -5.948 -12.551 9.937 716 HB3 LYS 89 1HB LYS 89 -7.157 -11.442 10.583 717 HG2 LYS 89 2HG LYS 89 -8.911 -12.667 9.291 718 HG3 LYS 89 1HG LYS 89 -7.681 -13.828 8.789 719 HD2 LYS 89 2HD LYS 89 -7.213 -14.309 11.197 720 HD3 LYS 89 1HD LYS 89 -8.549 -13.243 11.635 721 HE2 LYS 89 2HE LYS 89 -10.030 -14.684 10.151 722 HE3 LYS 89 1HE LYS 89 -8.689 -15.825 10.065 723 HZ1 LYS 89 3HZ LYS 89 -8.985 -15.184 12.732 724 HZ2 LYS 89 1HZ LYS 89 -9.392 -16.649 11.982 725 HZ3 LYS 89 2HZ LYS 89 -10.563 -15.429 12.150 726 H ASP 90 H ASP 90 -4.243 -11.334 8.547 727 HA ASP 90 HA ASP 90 -3.685 -8.853 9.843 728 HB2 ASP 90 2HB ASP 90 -1.980 -10.589 8.036 729 HB3 ASP 90 1HB ASP 90 -1.363 -9.213 8.947 730 H ARG 91 H ARG 91 -3.898 -9.753 6.420 731 HA ARG 91 HA ARG 91 -2.936 -7.329 5.302 732 HB2 ARG 91 2HB ARG 91 -3.412 -9.431 4.027 733 HB3 ARG 91 1HB ARG 91 -5.136 -9.099 4.200 734 HG2 ARG 91 2HG ARG 91 -4.778 -6.897 3.069 735 HG3 ARG 91 1HG ARG 91 -3.095 -7.353 2.796 736 HD2 ARG 91 2HD ARG 91 -5.529 -8.847 1.779 737 HD3 ARG 91 1HD ARG 91 -4.433 -7.865 0.805 738 HE ARG 91 HE ARG 91 -2.687 -9.640 1.841 739 HH11 ARG 91 1HH2 ARG 91 -5.865 -10.027 0.546 740 HH12 ARG 91 2HH2 ARG 91 -5.586 -11.647 0.003 741 HH21 ARG 91 1HH1 ARG 91 -2.311 -11.750 1.133 742 HH22 ARG 91 2HH1 ARG 91 -3.576 -12.622 0.333 743 H ASN 92 H ASN 92 -6.229 -8.236 6.339 744 HA ASN 92 HA ASN 92 -7.533 -5.886 5.414 745 HB2 ASN 92 2HB ASN 92 -8.141 -7.697 7.764 746 HB3 ASN 92 1HB ASN 92 -9.222 -6.425 7.200 747 HD21 ASN 92 1HD2 ASN 92 -10.175 -9.045 7.093 748 HD22 ASN 92 2HD2 ASN 92 -10.238 -9.572 5.481 749 H ASP 93 H ASP 93 -5.872 -6.553 8.505 750 HA ASP 93 HA ASP 93 -6.592 -4.087 9.752 751 HB2 ASP 93 2HB ASP 93 -4.175 -5.873 10.150 752 HB3 ASP 93 1HB ASP 93 -4.636 -4.552 11.217 753 H LEU 94 H LEU 94 -3.810 -5.008 7.714 754 HA LEU 94 HA LEU 94 -2.367 -2.579 7.983 755 HB2 LEU 94 2HB LEU 94 -1.428 -4.595 6.901 756 HB3 LEU 94 1HB LEU 94 -2.552 -4.394 5.558 757 HG LEU 94 HG LEU 94 -1.559 -2.221 5.013 758 HD11 LEU 94 1HD1 LEU 94 -0.810 -1.238 6.970 759 HD12 LEU 94 2HD1 LEU 94 0.718 -1.833 6.321 760 HD13 LEU 94 3HD1 LEU 94 -0.116 -2.738 7.584 761 HD21 LEU 94 3HD2 LEU 94 0.983 -3.570 5.196 762 HD22 LEU 94 1HD2 LEU 94 -0.032 -3.326 3.777 763 HD23 LEU 94 2HD2 LEU 94 -0.275 -4.741 4.802 764 H ILE 95 H ILE 95 -4.944 -3.490 5.697 765 HA ILE 95 HA ILE 95 -4.906 -1.005 4.250 766 HB ILE 95 HB ILE 95 -7.192 -2.942 4.685 767 HG12 ILE 95 2HG1 ILE 95 -5.208 -2.736 2.399 768 HG13 ILE 95 1HG1 ILE 95 -5.123 -3.939 3.686 769 HG21 ILE 95 1HG2 ILE 95 -7.414 -1.733 2.182 770 HG22 ILE 95 2HG2 ILE 95 -6.945 -0.413 3.253 771 HG23 ILE 95 3HG2 ILE 95 -8.389 -1.361 3.603 772 HD11 ILE 95 3HD1 ILE 95 -6.549 -5.236 2.530 773 HD12 ILE 95 1HD1 ILE 95 -6.715 -3.990 1.294 774 HD13 ILE 95 2HD1 ILE 95 -7.781 -3.988 2.697 775 H THR 96 H THR 96 -6.564 -2.124 7.147 776 HA THR 96 HA THR 96 -8.402 -0.015 7.508 777 HB THR 96 HB THR 96 -6.877 -1.358 9.748 778 HG1 THR 96 1HG THR 96 -7.758 -2.794 8.065 779 HG21 THR 96 3HG2 THR 96 -8.824 0.569 9.802 780 HG22 THR 96 1HG2 THR 96 -8.539 -0.597 11.096 781 HG23 THR 96 2HG2 THR 96 -9.787 -0.908 9.888 782 H TYR 97 H TYR 97 -4.972 -0.244 8.458 783 HA TYR 97 HA TYR 97 -4.880 2.222 9.897 784 HB2 TYR 97 2HB TYR 97 -3.114 0.464 9.986 785 HB3 TYR 97 1HB TYR 97 -2.637 0.898 8.345 786 HD1 TYR 97 1HD TYR 97 -2.988 2.220 11.810 787 HD2 TYR 97 2HD TYR 97 -1.257 2.783 7.922 788 HE1 TYR 97 1HE TYR 97 -1.577 4.053 12.704 789 HE2 TYR 97 2HE TYR 97 0.152 4.619 8.813 790 HH TYR 97 HH TYR 97 0.296 6.116 10.612 791 H LEU 98 H LEU 98 -3.918 1.551 6.489 792 HA LEU 98 HA LEU 98 -3.507 4.357 5.907 793 HB2 LEU 98 2HB LEU 98 -4.001 2.001 4.058 794 HB3 LEU 98 1HB LEU 98 -3.503 3.607 3.527 795 HG LEU 98 HG LEU 98 -1.943 1.852 5.447 796 HD11 LEU 98 1HD1 LEU 98 -2.079 1.980 2.540 797 HD12 LEU 98 2HD1 LEU 98 -1.213 0.834 3.565 798 HD13 LEU 98 3HD1 LEU 98 -0.460 2.366 3.124 799 HD21 LEU 98 3HD2 LEU 98 -0.193 3.696 4.625 800 HD22 LEU 98 1HD2 LEU 98 -1.256 3.995 6.000 801 HD23 LEU 98 2HD2 LEU 98 -1.664 4.647 4.413 802 H LYS 99 H LYS 99 -6.181 2.095 5.476 803 HA LYS 99 HA LYS 99 -7.922 3.773 3.998 804 HB2 LYS 99 2HB LYS 99 -8.305 1.347 4.432 805 HB3 LYS 99 1HB LYS 99 -8.659 1.731 6.114 806 HG2 LYS 99 2HG LYS 99 -10.517 3.188 5.377 807 HG3 LYS 99 1HG LYS 99 -10.187 2.738 3.705 808 HD2 LYS 99 2HD LYS 99 -10.563 0.346 4.322 809 HD3 LYS 99 1HD LYS 99 -11.025 0.874 5.941 810 HE2 LYS 99 2HE LYS 99 -12.794 2.323 4.878 811 HE3 LYS 99 1HE LYS 99 -12.405 1.564 3.333 812 HZ1 LYS 99 3HZ LYS 99 -12.716 -0.582 4.857 813 HZ2 LYS 99 1HZ LYS 99 -13.990 0.129 3.992 814 HZ3 LYS 99 2HZ LYS 99 -13.791 0.474 5.644 815 H LYS 100 H LYS 100 -7.383 3.484 7.500 816 HA LYS 100 HA LYS 100 -9.464 5.224 8.359 817 HB2 LYS 100 2HB LYS 100 -8.099 3.775 9.862 818 HB3 LYS 100 1HB LYS 100 -6.725 4.850 9.603 819 HG2 LYS 100 2HG LYS 100 -8.095 6.743 10.482 820 HG3 LYS 100 1HG LYS 100 -9.387 5.596 10.846 821 HD2 LYS 100 2HD LYS 100 -7.728 4.300 12.233 822 HD3 LYS 100 1HD LYS 100 -6.590 5.626 12.003 823 HE2 LYS 100 2HE LYS 100 -8.939 6.898 12.800 824 HE3 LYS 100 1HE LYS 100 -8.878 5.450 13.807 825 HZ1 LYS 100 3HZ LYS 100 -6.913 6.084 14.762 826 HZ2 LYS 100 1HZ LYS 100 -7.633 7.600 14.524 827 HZ3 LYS 100 2HZ LYS 100 -6.440 7.048 13.447 828 H ALA 101 H ALA 101 -6.139 5.880 7.337 829 HA ALA 101 HA ALA 101 -6.065 8.649 7.968 830 HB1 ALA 101 1HB ALA 101 -4.317 8.773 6.167 831 HB2 ALA 101 2HB ALA 101 -4.703 7.106 5.742 832 HB3 ALA 101 3HB ALA 101 -4.037 7.480 7.332 833 H THR 102 H THR 102 -7.531 6.929 5.272 834 HA THR 102 HA THR 102 -7.902 9.189 3.547 835 HB THR 102 HB THR 102 -9.536 7.825 2.393 836 HG1 THR 102 1HG THR 102 -10.257 7.106 4.720 837 HG21 THR 102 3HG2 THR 102 -7.282 7.082 2.032 838 HG22 THR 102 1HG2 THR 102 -8.267 5.637 2.260 839 HG23 THR 102 2HG2 THR 102 -7.254 6.230 3.576 840 H GLU 103 H GLU 103 -9.555 8.115 6.425 841 HA GLU 103 HA GLU 103 -11.974 9.657 5.981 842 HB2 GLU 103 2HB GLU 103 -11.829 7.701 7.543 843 HB3 GLU 103 1HB GLU 103 -10.812 8.674 8.605 844 HG2 GLU 103 2HG GLU 103 -12.641 10.364 8.752 845 HG3 GLU 103 1HG GLU 103 -13.661 9.301 7.783 846 HHA HEC 201 HA HEC 104 4.639 3.078 -5.678 847 HHB HEC 201 HB HEC 104 0.972 0.311 -1.337 848 HHC HEC 201 HC HEC 104 6.087 -0.929 2.172 849 HHD HEC 201 HD HEC 104 9.763 1.648 -2.281 850 HMA1 HEC 201 1HMA HEC 104 -0.370 0.888 -3.806 851 HMA2 HEC 201 2HMA HEC 104 -0.234 2.630 -4.062 852 HMA3 HEC 201 3HMA HEC 104 -0.167 1.969 -2.429 853 HAA1 HEC 201 1HAA HEC 104 2.432 1.787 -6.611 854 HAA2 HEC 201 2HAA HEC 104 0.884 2.375 -6.028 855 HBA1 HEC 201 1HBA HEC 104 3.019 3.868 -7.202 856 HBA2 HEC 201 2HBA HEC 104 2.806 4.419 -5.541 857 HMB1 HEC 201 1HMB HEC 104 1.237 -2.371 1.306 858 HMB2 HEC 201 2HMB HEC 104 0.350 -0.847 1.303 859 HMB3 HEC 201 3HMB HEC 104 0.750 -1.644 -0.216 860 HAB HEC 201 HAB HEC 104 4.337 -1.643 3.310 861 HBB1 HEC 201 1HBB HEC 104 2.278 -1.759 4.673 862 HBB2 HEC 201 2HBB HEC 104 2.197 -2.785 3.249 863 HBB3 HEC 201 3HBB HEC 104 1.341 -1.241 3.282 864 HMC1 HEC 201 1HMC HEC 104 9.902 -1.117 2.077 865 HMC2 HEC 201 2HMC HEC 104 8.566 -2.189 1.653 866 HMC3 HEC 201 3HMC HEC 104 8.360 -0.985 2.925 867 HAC HEC 201 HAC HEC 104 10.812 1.677 -0.342 868 HBC1 HEC 201 1HBC HEC 104 12.249 -0.019 -0.684 869 HBC2 HEC 201 2HBC HEC 104 12.113 -0.440 1.024 870 HBC3 HEC 201 3HBC HEC 104 11.034 -1.183 -0.159 871 HMD1 HEC 201 1HMD HEC 104 10.220 1.670 -4.518 872 HMD2 HEC 201 2HMD HEC 104 10.267 3.433 -4.581 873 HMD3 HEC 201 3HMD HEC 104 9.677 2.516 -5.967 874 HAD1 HEC 201 1HAD HEC 104 8.150 4.490 -6.188 875 HAD2 HEC 201 2HAD HEC 104 6.430 4.715 -5.917 876 HBD1 HEC 201 1HBD HEC 104 7.790 2.847 -7.848 877 HBD2 HEC 201 2HBD HEC 104 6.115 2.599 -7.358 Start of MODEL 19 1 H1 THR -5 1HT THR -5 -17.980 -10.765 3.172 2 H2 THR -5 2HT THR -5 -16.500 -10.949 3.984 3 H3 THR -5 3HT THR -5 -16.935 -12.032 2.749 4 HA THR -5 HA THR -5 -16.553 -10.515 1.070 5 HB THR -5 HB THR -5 -16.011 -8.079 2.475 6 HG1 THR -5 1HG THR -5 -17.882 -7.779 3.565 7 HG21 THR -5 1HG2 THR -5 -18.358 -8.847 0.721 8 HG22 THR -5 2HG2 THR -5 -16.769 -8.384 0.111 9 HG23 THR -5 3HG2 THR -5 -17.745 -7.218 1.006 10 H GLU -4 H GLU -4 -14.456 -9.675 0.395 11 HA GLU -4 HA GLU -4 -12.245 -10.890 1.727 12 HB2 GLU -4 2HB GLU -4 -12.300 -8.634 -0.300 13 HB3 GLU -4 1HB GLU -4 -10.849 -9.514 0.181 14 HG2 GLU -4 2HG GLU -4 -11.910 -11.632 -0.570 15 HG3 GLU -4 1HG GLU -4 -13.315 -10.715 -1.112 16 H PHE -3 H PHE -3 -13.643 -7.659 1.940 17 HA PHE -3 HA PHE -3 -11.484 -6.855 3.827 18 HB2 PHE -3 2HB PHE -3 -12.087 -5.286 1.991 19 HB3 PHE -3 1HB PHE -3 -13.730 -5.203 2.628 20 HD1 PHE -3 2HD PHE -3 -10.190 -4.341 3.269 21 HD2 PHE -3 1HD PHE -3 -14.238 -3.987 4.660 22 HE1 PHE -3 2HE PHE -3 -9.488 -2.578 4.870 23 HE2 PHE -3 1HE PHE -3 -13.536 -2.225 6.257 24 HZ PHE -3 HZ PHE -3 -11.162 -1.523 6.364 25 H LYS -2 H LYS -2 -11.881 -6.846 5.988 26 HA LYS -2 HA LYS -2 -14.571 -7.588 6.935 27 HB2 LYS -2 2HB LYS -2 -11.983 -7.099 8.443 28 HB3 LYS -2 1HB LYS -2 -13.474 -7.709 9.161 29 HG2 LYS -2 2HG LYS -2 -13.392 -9.603 7.481 30 HG3 LYS -2 1HG LYS -2 -11.777 -9.048 7.040 31 HD2 LYS -2 2HD LYS -2 -12.623 -9.816 9.849 32 HD3 LYS -2 1HD LYS -2 -11.733 -10.870 8.749 33 HE2 LYS -2 2HE LYS -2 -10.036 -8.922 8.576 34 HE3 LYS -2 1HE LYS -2 -10.823 -8.293 10.023 35 HZ1 LYS -2 3HZ LYS -2 -9.949 -9.897 11.296 36 HZ2 LYS -2 1HZ LYS -2 -8.818 -10.067 10.044 37 HZ3 LYS -2 2HZ LYS -2 -10.161 -11.105 10.121 38 H ALA -1 H ALA -1 -15.364 -6.324 8.953 39 HA ALA -1 HA ALA -1 -16.211 -3.789 8.363 40 HB1 ALA -1 1HB ALA -1 -16.006 -5.344 10.741 41 HB2 ALA -1 2HB ALA -1 -17.062 -3.964 10.437 42 HB3 ALA -1 3HB ALA -1 -15.460 -3.712 11.128 43 H GLY 1 H GLY 1 -12.961 -4.684 9.226 44 HA2 GLY 1 2HA GLY 1 -11.096 -3.251 8.602 45 HA3 GLY 1 1HA GLY 1 -12.148 -1.851 8.812 46 H SER 2 H SER 2 -10.010 -4.068 10.405 47 HA SER 2 HA SER 2 -10.423 -2.572 12.968 48 HB2 SER 2 2HB SER 2 -11.045 -4.994 13.088 49 HB3 SER 2 1HB SER 2 -9.396 -5.406 12.626 50 HG SER 2 HG SER 2 -8.658 -4.490 14.505 51 H ALA 3 H ALA 3 -8.603 -1.624 13.839 52 HA ALA 3 HA ALA 3 -6.076 -1.953 12.287 53 HB1 ALA 3 1HB ALA 3 -5.534 0.252 12.822 54 HB2 ALA 3 2HB ALA 3 -6.532 0.250 14.277 55 HB3 ALA 3 3HB ALA 3 -7.289 0.349 12.689 56 H LYS 4 H LYS 4 -4.351 -2.844 13.250 57 HA LYS 4 HA LYS 4 -3.718 -2.647 16.031 58 HB2 LYS 4 2HB LYS 4 -5.669 -4.191 16.228 59 HB3 LYS 4 1HB LYS 4 -4.848 -5.332 15.167 60 HG2 LYS 4 2HG LYS 4 -2.956 -5.431 16.777 61 HG3 LYS 4 1HG LYS 4 -3.840 -4.348 17.853 62 HD2 LYS 4 2HD LYS 4 -5.716 -6.015 17.891 63 HD3 LYS 4 1HD LYS 4 -4.695 -7.118 16.967 64 HE2 LYS 4 2HE LYS 4 -3.716 -5.900 19.546 65 HE3 LYS 4 1HE LYS 4 -4.708 -7.358 19.550 66 HZ1 LYS 4 3HZ LYS 4 -2.618 -8.240 19.418 67 HZ2 LYS 4 1HZ LYS 4 -1.999 -6.956 18.499 68 HZ3 LYS 4 2HZ LYS 4 -2.996 -8.120 17.765 69 H LYS 5 H LYS 5 -3.344 -5.716 14.370 70 HA LYS 5 HA LYS 5 -0.483 -5.577 14.442 71 HB2 LYS 5 2HB LYS 5 -2.322 -7.303 12.752 72 HB3 LYS 5 1HB LYS 5 -0.585 -7.559 12.926 73 HG2 LYS 5 2HG LYS 5 -0.905 -7.772 15.394 74 HG3 LYS 5 1HG LYS 5 -2.648 -7.644 15.147 75 HD2 LYS 5 2HD LYS 5 -2.540 -9.634 13.640 76 HD3 LYS 5 1HD LYS 5 -0.826 -9.796 14.033 77 HE2 LYS 5 2HE LYS 5 -1.389 -10.969 15.866 78 HE3 LYS 5 1HE LYS 5 -2.205 -9.539 16.498 79 HZ1 LYS 5 3HZ LYS 5 -4.222 -10.186 15.502 80 HZ2 LYS 5 1HZ LYS 5 -3.617 -11.580 16.253 81 HZ3 LYS 5 2HZ LYS 5 -3.475 -11.396 14.570 82 H GLY 6 H GLY 6 -2.886 -4.828 11.959 83 HA2 GLY 6 2HA GLY 6 -1.120 -4.429 9.771 84 HA3 GLY 6 1HA GLY 6 -2.689 -3.647 9.946 85 H ALA 7 H ALA 7 -2.080 -2.267 12.415 86 HA ALA 7 HA ALA 7 -0.945 0.128 11.371 87 HB1 ALA 7 1HB ALA 7 -2.225 0.574 13.240 88 HB2 ALA 7 2HB ALA 7 -0.631 0.543 13.993 89 HB3 ALA 7 3HB ALA 7 -1.679 -0.872 14.086 90 H THR 8 H THR 8 0.476 -2.308 13.568 91 HA THR 8 HA THR 8 3.086 -1.035 13.520 92 HB THR 8 HB THR 8 3.827 -3.007 14.740 93 HG1 THR 8 1HG THR 8 1.283 -4.139 14.329 94 HG21 THR 8 3HG2 THR 8 2.791 -2.104 16.514 95 HG22 THR 8 1HG2 THR 8 1.355 -3.052 16.127 96 HG23 THR 8 2HG2 THR 8 1.544 -1.427 15.467 97 H LEU 9 H LEU 9 1.473 -3.575 11.675 98 HA LEU 9 HA LEU 9 3.727 -4.718 10.385 99 HB2 LEU 9 2HB LEU 9 1.331 -5.509 10.189 100 HB3 LEU 9 1HB LEU 9 1.037 -4.150 9.106 101 HG LEU 9 HG LEU 9 3.149 -5.098 7.838 102 HD11 LEU 9 1HD1 LEU 9 2.068 -7.716 8.783 103 HD12 LEU 9 2HD1 LEU 9 3.215 -6.875 9.825 104 HD13 LEU 9 3HD1 LEU 9 3.678 -7.320 8.184 105 HD21 LEU 9 3HD2 LEU 9 0.490 -6.547 7.696 106 HD22 LEU 9 1HD2 LEU 9 1.662 -6.356 6.392 107 HD23 LEU 9 2HD2 LEU 9 0.781 -4.955 6.997 108 H PHE 10 H PHE 10 1.816 -1.840 9.640 109 HA PHE 10 HA PHE 10 3.174 -1.100 7.229 110 HB2 PHE 10 2HB PHE 10 0.993 -0.148 8.035 111 HB3 PHE 10 1HB PHE 10 1.876 0.707 9.295 112 HD1 PHE 10 1HD PHE 10 1.358 0.414 5.636 113 HD2 PHE 10 2HD PHE 10 3.182 2.661 8.811 114 HE1 PHE 10 1HE PHE 10 1.850 2.259 4.051 115 HE2 PHE 10 2HE PHE 10 3.670 4.500 7.225 116 HZ PHE 10 HZ PHE 10 3.011 4.301 4.850 117 H LYS 11 H LYS 11 3.630 -0.158 10.623 118 HA LYS 11 HA LYS 11 5.862 1.570 10.214 119 HB2 LYS 11 2HB LYS 11 4.448 1.360 12.317 120 HB3 LYS 11 1HB LYS 11 5.331 -0.124 12.665 121 HG2 LYS 11 2HG LYS 11 7.466 1.136 12.594 122 HG3 LYS 11 1HG LYS 11 6.560 2.624 12.311 123 HD2 LYS 11 2HD LYS 11 5.331 2.215 14.460 124 HD3 LYS 11 1HD LYS 11 6.398 0.843 14.757 125 HE2 LYS 11 2HE LYS 11 8.180 2.858 14.140 126 HE3 LYS 11 1HE LYS 11 6.930 3.716 15.041 127 HZ1 LYS 11 3HZ LYS 11 8.055 2.956 16.808 128 HZ2 LYS 11 1HZ LYS 11 8.809 1.708 15.942 129 HZ3 LYS 11 2HZ LYS 11 7.221 1.505 16.513 130 H THR 12 H THR 12 5.644 -1.911 10.818 131 HA THR 12 HA THR 12 8.474 -2.317 11.134 132 HB THR 12 HB THR 12 7.956 -4.689 10.952 133 HG1 THR 12 1HG THR 12 5.667 -3.649 9.724 134 HG21 THR 12 3HG2 THR 12 6.551 -2.833 12.665 135 HG22 THR 12 1HG2 THR 12 7.183 -4.434 13.047 136 HG23 THR 12 2HG2 THR 12 5.562 -4.265 12.375 137 H ARG 13 H ARG 13 6.364 -2.341 8.267 138 HA ARG 13 HA ARG 13 8.827 -2.409 6.625 139 HB2 ARG 13 2HB ARG 13 6.570 -4.409 6.347 140 HB3 ARG 13 1HB ARG 13 7.845 -4.184 5.152 141 HG2 ARG 13 2HG ARG 13 9.536 -4.682 6.932 142 HG3 ARG 13 1HG ARG 13 8.208 -5.038 8.040 143 HD2 ARG 13 2HD ARG 13 8.946 -7.135 7.107 144 HD3 ARG 13 1HD ARG 13 7.389 -6.749 6.374 145 HE ARG 13 HE ARG 13 9.585 -5.743 4.776 146 HH11 ARG 13 1HH2 ARG 13 7.757 -8.529 5.667 147 HH12 ARG 13 2HH2 ARG 13 8.052 -9.362 4.177 148 HH21 ARG 13 1HH1 ARG 13 9.979 -6.815 2.826 149 HH22 ARG 13 2HH1 ARG 13 9.310 -8.392 2.569 150 H CYS 14 H CYS 14 7.475 -0.106 6.770 151 HA CYS 14 HA CYS 14 6.580 0.306 4.075 152 HB2 CYS 14 2HB CYS 14 4.596 -0.889 5.336 153 HB3 CYS 14 1HB CYS 14 4.321 0.723 5.992 154 H LEU 15 H LEU 15 6.033 1.586 7.373 155 HA LEU 15 HA LEU 15 5.860 4.316 6.650 156 HB2 LEU 15 2HB LEU 15 5.365 3.416 8.927 157 HB3 LEU 15 1HB LEU 15 7.093 3.176 9.175 158 HG LEU 15 HG LEU 15 7.323 5.699 8.617 159 HD11 LEU 15 1HD1 LEU 15 4.356 5.455 9.163 160 HD12 LEU 15 2HD1 LEU 15 5.132 6.167 7.747 161 HD13 LEU 15 3HD1 LEU 15 5.242 6.971 9.310 162 HD21 LEU 15 3HD2 LEU 15 6.734 6.292 10.977 163 HD22 LEU 15 1HD2 LEU 15 7.695 4.819 10.850 164 HD23 LEU 15 2HD2 LEU 15 5.957 4.716 11.135 165 H GLN 16 H GLN 16 8.713 2.302 7.261 166 HA GLN 16 HA GLN 16 10.667 4.351 7.290 167 HB2 GLN 16 2HB GLN 16 10.856 1.528 6.197 168 HB3 GLN 16 1HB GLN 16 12.240 2.578 6.501 169 HG2 GLN 16 2HG GLN 16 11.634 2.720 8.877 170 HG3 GLN 16 1HG GLN 16 10.222 1.704 8.588 171 HE21 GLN 16 1HE2 GLN 16 12.253 0.876 10.417 172 HE22 GLN 16 2HE2 GLN 16 13.052 -0.471 9.763 173 H CYS 17 H CYS 17 9.034 2.781 4.576 174 HA CYS 17 HA CYS 17 10.670 4.365 2.671 175 HB2 CYS 17 2HB CYS 17 8.606 2.192 2.240 176 HB3 CYS 17 1HB CYS 17 9.468 3.021 0.944 177 H HIS 18 H HIS 18 7.246 3.884 3.568 178 HA HIS 18 HA HIS 18 6.573 6.289 1.936 179 HB2 HIS 18 2HB HIS 18 4.894 4.025 3.046 180 HB3 HIS 18 1HB HIS 18 4.189 5.478 2.326 181 HD1 HIS 18 1HD HIS 18 5.019 5.964 -0.241 182 HD2 HIS 18 2HD HIS 18 5.647 2.120 1.224 183 HE1 HIS 18 1HE HIS 18 5.407 4.480 -2.268 184 H THR 19 H THR 19 6.227 8.167 2.988 185 HA THR 19 HA THR 19 6.021 8.167 5.928 186 HB THR 19 HB THR 19 6.272 10.583 5.742 187 HG1 THR 19 1HG THR 19 4.963 10.865 3.905 188 HG21 THR 19 3HG2 THR 19 8.423 10.687 4.568 189 HG22 THR 19 1HG2 THR 19 8.060 9.170 3.744 190 HG23 THR 19 2HG2 THR 19 8.303 9.187 5.491 191 H VAL 20 H VAL 20 3.936 8.331 3.189 192 HA VAL 20 HA VAL 20 1.608 8.590 3.039 193 HB VAL 20 HB VAL 20 1.437 8.504 6.039 194 HG11 VAL 20 1HG1 VAL 20 -0.502 8.619 4.246 195 HG12 VAL 20 2HG1 VAL 20 -0.654 7.565 5.650 196 HG13 VAL 20 3HG1 VAL 20 -0.177 6.892 4.092 197 HG21 VAL 20 3HG2 VAL 20 1.393 5.865 5.348 198 HG22 VAL 20 1HG2 VAL 20 2.821 6.686 5.976 199 HG23 VAL 20 2HG2 VAL 20 2.621 6.472 4.237 200 H GLU 21 H GLU 21 3.544 10.895 3.777 201 HA GLU 21 HA GLU 21 1.571 12.756 5.001 202 HB2 GLU 21 2HB GLU 21 3.922 12.677 5.890 203 HB3 GLU 21 1HB GLU 21 4.484 13.257 4.320 204 HG2 GLU 21 2HG GLU 21 4.258 15.176 5.777 205 HG3 GLU 21 1HG GLU 21 2.951 15.239 4.593 206 H LYS 22 H LYS 22 0.740 14.490 3.841 207 HA LYS 22 HA LYS 22 0.951 14.325 0.922 208 HB2 LYS 22 2HB LYS 22 -1.224 14.790 1.902 209 HB3 LYS 22 1HB LYS 22 -0.579 16.191 2.759 210 HG2 LYS 22 2HG LYS 22 -0.161 17.354 0.688 211 HG3 LYS 22 1HG LYS 22 -0.559 15.921 -0.252 212 HD2 LYS 22 2HD LYS 22 -2.485 17.381 -0.295 213 HD3 LYS 22 1HD LYS 22 -2.877 16.010 0.744 214 HE2 LYS 22 2HE LYS 22 -2.594 17.277 2.722 215 HE3 LYS 22 1HE LYS 22 -1.712 18.550 1.879 216 HZ1 LYS 22 3HZ LYS 22 -3.826 19.426 2.153 217 HZ2 LYS 22 1HZ LYS 22 -4.601 17.956 1.817 218 HZ3 LYS 22 2HZ LYS 22 -3.867 18.833 0.561 219 H GLY 23 H GLY 23 0.914 17.336 2.768 220 HA2 GLY 23 2HA GLY 23 2.528 18.807 1.016 221 HA3 GLY 23 1HA GLY 23 2.382 19.174 2.735 222 H GLY 24 H GLY 24 3.487 16.499 3.476 223 HA2 GLY 24 2HA GLY 24 6.217 17.223 3.754 224 HA3 GLY 24 1HA GLY 24 5.593 15.587 3.970 225 HA PRO 25 HA PRO 25 7.976 16.132 -0.155 226 HB2 PRO 25 2HB PRO 25 10.484 15.367 0.569 227 HB3 PRO 25 1HB PRO 25 9.940 17.056 0.651 228 HG2 PRO 25 2HG PRO 25 10.162 15.033 2.830 229 HG3 PRO 25 1HG PRO 25 10.594 16.750 2.836 230 HD2 PRO 25 2HD PRO 25 8.267 15.811 3.922 231 HD3 PRO 25 1HD PRO 25 8.419 17.440 3.225 232 H HIS 26 H HIS 26 9.566 14.218 -1.049 233 HA HIS 26 HA HIS 26 8.213 11.684 -0.242 234 HB2 HIS 26 2HB HIS 26 9.693 12.399 -2.793 235 HB3 HIS 26 1HB HIS 26 8.928 10.846 -2.465 236 HD1 HIS 26 1HD HIS 26 6.284 10.845 -2.245 237 HD2 HIS 26 2HD HIS 26 7.926 14.435 -3.593 238 HE1 HIS 26 1HE HIS 26 4.370 12.187 -3.225 239 HE2 HIS 26 2HE HIS 26 5.358 14.377 -4.040 240 H LYS 27 H LYS 27 9.439 10.017 0.579 241 HA LYS 27 HA LYS 27 12.342 10.565 0.940 242 HB2 LYS 27 2HB LYS 27 10.767 9.913 2.876 243 HB3 LYS 27 1HB LYS 27 10.776 8.294 2.178 244 HG2 LYS 27 2HG LYS 27 13.261 8.272 2.323 245 HG3 LYS 27 1HG LYS 27 13.210 9.857 3.092 246 HD2 LYS 27 2HD LYS 27 11.759 8.876 4.887 247 HD3 LYS 27 1HD LYS 27 12.004 7.289 4.158 248 HE2 LYS 27 2HE LYS 27 14.295 9.070 5.018 249 HE3 LYS 27 1HE LYS 27 13.577 7.855 6.075 250 HZ1 LYS 27 3HZ LYS 27 15.185 7.503 3.658 251 HZ2 LYS 27 1HZ LYS 27 13.968 6.362 3.964 252 HZ3 LYS 27 2HZ LYS 27 15.197 6.618 5.109 253 H VAL 28 H VAL 28 12.090 7.354 1.351 254 HA VAL 28 HA VAL 28 13.498 6.696 -1.055 255 HB VAL 28 HB VAL 28 12.012 4.932 0.914 256 HG11 VAL 28 1HG1 VAL 28 13.551 3.152 -0.095 257 HG12 VAL 28 2HG1 VAL 28 13.819 4.282 -1.423 258 HG13 VAL 28 3HG1 VAL 28 12.197 3.667 -1.101 259 HG21 VAL 28 3HG2 VAL 28 14.417 4.422 1.595 260 HG22 VAL 28 1HG2 VAL 28 13.846 6.044 1.986 261 HG23 VAL 28 2HG2 VAL 28 14.898 5.791 0.594 262 H GLY 29 H GLY 29 10.089 6.419 -0.119 263 HA2 GLY 29 2HA GLY 29 9.449 5.865 -2.990 264 HA3 GLY 29 1HA GLY 29 8.583 5.067 -1.677 265 HA PRO 30 HA PRO 30 6.690 9.286 -2.962 266 HB2 PRO 30 2HB PRO 30 4.357 8.212 -3.998 267 HB3 PRO 30 1HB PRO 30 5.771 8.668 -4.968 268 HG2 PRO 30 2HG PRO 30 4.926 5.985 -4.005 269 HG3 PRO 30 1HG PRO 30 5.652 6.458 -5.552 270 HD2 PRO 30 2HD PRO 30 7.104 5.269 -3.588 271 HD3 PRO 30 1HD PRO 30 7.813 6.469 -4.693 272 H ASN 31 H ASN 31 5.053 10.283 -1.682 273 HA ASN 31 HA ASN 31 4.258 8.787 0.701 274 HB2 ASN 31 2HB ASN 31 3.355 11.559 -0.117 275 HB3 ASN 31 1HB ASN 31 3.409 10.882 1.510 276 HD21 ASN 31 1HD2 ASN 31 6.015 9.691 1.445 277 HD22 ASN 31 2HD2 ASN 31 7.164 10.931 1.303 278 H LEU 32 H LEU 32 2.220 7.962 1.132 279 HA LEU 32 HA LEU 32 0.260 8.072 -1.106 280 HB2 LEU 32 2HB LEU 32 0.574 6.210 1.258 281 HB3 LEU 32 1HB LEU 32 -0.849 6.192 0.217 282 HG LEU 32 HG LEU 32 0.671 5.855 -1.753 283 HD11 LEU 32 1HD1 LEU 32 2.772 6.657 -1.089 284 HD12 LEU 32 2HD1 LEU 32 2.985 4.910 -0.990 285 HD13 LEU 32 3HD1 LEU 32 2.695 5.846 0.475 286 HD21 LEU 32 3HD2 LEU 32 0.309 3.942 0.497 287 HD22 LEU 32 1HD2 LEU 32 1.473 3.480 -0.744 288 HD23 LEU 32 2HD2 LEU 32 -0.202 3.808 -1.186 289 H HIS 33 H HIS 33 -1.709 9.047 -0.852 290 HA HIS 33 HA HIS 33 -2.882 9.554 1.759 291 HB2 HIS 33 2HB HIS 33 -1.180 11.360 1.684 292 HB3 HIS 33 1HB HIS 33 -1.858 11.923 0.156 293 HD1 HIS 33 1HD HIS 33 -4.094 13.196 0.229 294 HD2 HIS 33 2HD HIS 33 -2.842 11.857 3.977 295 HE1 HIS 33 1HE HIS 33 -5.591 14.327 1.934 296 HE2 HIS 33 2HE HIS 33 -4.838 13.519 4.217 297 H GLY 34 H GLY 34 -4.783 8.670 0.948 298 HA2 GLY 34 2HA GLY 34 -6.936 8.972 -0.029 299 HA3 GLY 34 1HA GLY 34 -6.313 10.374 -0.903 300 H ILE 35 H ILE 35 -4.182 7.795 -1.152 301 HA ILE 35 HA ILE 35 -4.429 7.524 -3.957 302 HB ILE 35 HB ILE 35 -2.493 6.787 -2.442 303 HG12 ILE 35 2HG1 ILE 35 -3.370 4.662 -4.408 304 HG13 ILE 35 1HG1 ILE 35 -2.825 6.252 -4.941 305 HG21 ILE 35 1HG2 ILE 35 -2.574 4.598 -1.483 306 HG22 ILE 35 2HG2 ILE 35 -4.085 4.218 -2.308 307 HG23 ILE 35 3HG2 ILE 35 -4.070 5.393 -0.993 308 HD11 ILE 35 3HD1 ILE 35 -0.991 4.543 -4.890 309 HD12 ILE 35 1HD1 ILE 35 -1.215 4.414 -3.146 310 HD13 ILE 35 2HD1 ILE 35 -0.673 5.936 -3.857 311 H PHE 36 H PHE 36 -6.257 6.077 -1.381 312 HA PHE 36 HA PHE 36 -7.247 3.795 -2.817 313 HB2 PHE 36 2HB PHE 36 -8.419 5.393 -0.521 314 HB3 PHE 36 1HB PHE 36 -9.070 3.860 -1.096 315 HD1 PHE 36 1HD PHE 36 -6.242 5.500 0.610 316 HD2 PHE 36 2HD PHE 36 -7.874 1.764 -0.749 317 HE1 PHE 36 1HE PHE 36 -4.587 4.271 1.991 318 HE2 PHE 36 2HE PHE 36 -6.219 0.538 0.629 319 HZ PHE 36 HZ PHE 36 -4.575 1.791 1.999 320 H GLY 37 H GLY 37 -8.911 3.651 -4.284 321 HA2 GLY 37 2HA GLY 37 -10.737 4.318 -5.616 322 HA3 GLY 37 1HA GLY 37 -10.963 5.691 -4.529 323 H ARG 38 H ARG 38 -7.800 5.235 -5.857 324 HA ARG 38 HA ARG 38 -8.347 7.262 -7.967 325 HB2 ARG 38 2HB ARG 38 -6.132 7.413 -5.903 326 HB3 ARG 38 1HB ARG 38 -6.284 8.482 -7.300 327 HG2 ARG 38 2HG ARG 38 -8.562 9.138 -6.471 328 HG3 ARG 38 1HG ARG 38 -8.253 8.193 -5.014 329 HD2 ARG 38 2HD ARG 38 -6.152 9.582 -4.691 330 HD3 ARG 38 1HD ARG 38 -6.737 10.625 -5.986 331 HE ARG 38 HE ARG 38 -8.790 10.297 -4.006 332 HH11 ARG 38 1HH2 ARG 38 -5.741 11.780 -4.633 333 HH12 ARG 38 2HH2 ARG 38 -6.021 13.112 -3.562 334 HH21 ARG 38 1HH1 ARG 38 -9.172 12.028 -2.603 335 HH22 ARG 38 2HH1 ARG 38 -7.962 13.253 -2.413 336 H HIS 39 H HIS 39 -6.467 7.430 -9.515 337 HA HIS 39 HA HIS 39 -5.365 4.717 -9.987 338 HB2 HIS 39 2HB HIS 39 -5.532 7.162 -11.775 339 HB3 HIS 39 1HB HIS 39 -4.838 5.613 -12.259 340 HD1 HIS 39 1HD HIS 39 -8.100 7.308 -11.546 341 HD2 HIS 39 2HD HIS 39 -6.752 3.508 -12.616 342 HE1 HIS 39 1HE HIS 39 -10.150 5.986 -12.233 343 HE2 HIS 39 2HE HIS 39 -9.340 3.673 -12.886 344 H SER 40 H SER 40 -3.083 4.474 -10.501 345 HA SER 40 HA SER 40 -1.352 5.979 -8.779 346 HB2 SER 40 2HB SER 40 0.403 4.622 -9.621 347 HB3 SER 40 1HB SER 40 -1.024 3.594 -9.691 348 HG SER 40 HG SER 40 -0.441 5.218 -11.888 349 H GLY 41 H GLY 41 0.524 7.274 -9.503 350 HA2 GLY 41 2HA GLY 41 1.640 8.674 -11.116 351 HA3 GLY 41 1HA GLY 41 0.227 8.546 -12.162 352 H GLN 42 H GLN 42 -1.431 9.072 -9.586 353 HA GLN 42 HA GLN 42 -1.852 11.857 -10.045 354 HB2 GLN 42 2HB GLN 42 -3.520 10.297 -9.001 355 HB3 GLN 42 1HB GLN 42 -2.547 10.318 -7.529 356 HG2 GLN 42 2HG GLN 42 -2.771 12.808 -7.468 357 HG3 GLN 42 1HG GLN 42 -3.852 12.711 -8.858 358 HE21 GLN 42 1HE2 GLN 42 -5.967 12.940 -8.127 359 HE22 GLN 42 2HE2 GLN 42 -6.605 12.205 -6.737 360 H ALA 43 H ALA 43 0.143 10.141 -7.666 361 HA ALA 43 HA ALA 43 0.764 12.323 -5.977 362 HB1 ALA 43 1HB ALA 43 1.533 9.713 -6.067 363 HB2 ALA 43 2HB ALA 43 2.319 10.925 -5.055 364 HB3 ALA 43 3HB ALA 43 3.011 10.502 -6.620 365 H GLU 44 H GLU 44 2.220 14.013 -6.132 366 HA GLU 44 HA GLU 44 3.726 14.258 -8.709 367 HB2 GLU 44 2HB GLU 44 2.374 16.463 -7.122 368 HB3 GLU 44 1HB GLU 44 3.310 16.687 -8.601 369 HG2 GLU 44 2HG GLU 44 1.719 15.199 -9.804 370 HG3 GLU 44 1HG GLU 44 0.756 15.073 -8.330 371 H GLY 45 H GLY 45 5.761 15.388 -8.545 372 HA2 GLY 45 2HA GLY 45 7.549 16.431 -7.307 373 HA3 GLY 45 1HA GLY 45 6.737 15.979 -5.807 374 H TYR 46 H TYR 46 6.566 13.319 -7.748 375 HA TYR 46 HA TYR 46 9.243 12.290 -6.934 376 HB2 TYR 46 2HB TYR 46 7.477 11.617 -5.254 377 HB3 TYR 46 1HB TYR 46 6.665 10.740 -6.551 378 HD1 TYR 46 1HD TYR 46 9.800 10.970 -4.576 379 HD2 TYR 46 2HD TYR 46 7.495 8.635 -7.348 380 HE1 TYR 46 1HE TYR 46 11.335 9.051 -4.236 381 HE2 TYR 46 2HE TYR 46 9.034 6.716 -7.010 382 HH TYR 46 HH TYR 46 11.798 6.717 -6.108 383 H SER 47 H SER 47 9.924 10.430 -8.223 384 HA SER 47 HA SER 47 8.718 10.505 -10.934 385 HB2 SER 47 2HB SER 47 11.185 10.788 -10.664 386 HB3 SER 47 1HB SER 47 11.269 9.164 -9.987 387 HG SER 47 HG SER 47 11.681 9.325 -12.293 388 H TYR 48 H TYR 48 7.978 8.607 -11.973 389 HA TYR 48 HA TYR 48 7.326 6.380 -10.104 390 HB2 TYR 48 2HB TYR 48 6.076 7.381 -12.659 391 HB3 TYR 48 1HB TYR 48 5.734 5.759 -12.056 392 HD1 TYR 48 2HD TYR 48 5.356 9.371 -11.411 393 HD2 TYR 48 1HD TYR 48 4.516 5.410 -9.980 394 HE1 TYR 48 2HE TYR 48 3.714 10.300 -9.799 395 HE2 TYR 48 1HE TYR 48 2.877 6.337 -8.370 396 HH TYR 48 HH TYR 48 1.964 8.169 -7.529 397 H THR 49 H THR 49 7.932 4.277 -10.580 398 HA THR 49 HA THR 49 10.192 3.936 -12.370 399 HB THR 49 HB THR 49 8.563 1.814 -10.943 400 HG1 THR 49 1HG THR 49 10.935 3.136 -10.131 401 HG21 THR 49 3HG2 THR 49 10.882 1.780 -12.697 402 HG22 THR 49 1HG2 THR 49 9.925 0.431 -12.086 403 HG23 THR 49 2HG2 THR 49 11.253 1.080 -11.123 404 H ASP 50 H ASP 50 10.245 2.645 -14.273 405 HA ASP 50 HA ASP 50 8.165 2.949 -16.111 406 HB2 ASP 50 2HB ASP 50 10.282 0.802 -15.952 407 HB3 ASP 50 1HB ASP 50 9.238 1.036 -17.351 408 H ALA 51 H ALA 51 8.644 0.380 -13.738 409 HA ALA 51 HA ALA 51 6.874 -1.574 -14.645 410 HB1 ALA 51 1HB ALA 51 8.300 -1.442 -12.457 411 HB2 ALA 51 2HB ALA 51 6.805 -2.378 -12.448 412 HB3 ALA 51 3HB ALA 51 6.835 -0.760 -11.750 413 H ASN 52 H ASN 52 5.804 0.723 -12.112 414 HA ASN 52 HA ASN 52 3.048 0.308 -12.521 415 HB2 ASN 52 2HB ASN 52 4.028 1.521 -10.576 416 HB3 ASN 52 1HB ASN 52 4.351 2.896 -11.634 417 HD21 ASN 52 1HD2 ASN 52 1.664 0.919 -10.282 418 HD22 ASN 52 2HD2 ASN 52 0.481 2.120 -10.491 419 H ILE 53 H ILE 53 5.182 2.697 -14.110 420 HA ILE 53 HA ILE 53 3.138 4.076 -15.519 421 HB ILE 53 HB ILE 53 5.985 3.507 -16.389 422 HG12 ILE 53 2HG1 ILE 53 4.819 5.872 -14.886 423 HG13 ILE 53 1HG1 ILE 53 5.771 4.586 -14.145 424 HG21 ILE 53 1HG2 ILE 53 4.628 4.311 -18.232 425 HG22 ILE 53 2HG2 ILE 53 5.669 5.623 -17.680 426 HG23 ILE 53 3HG2 ILE 53 3.966 5.598 -17.226 427 HD11 ILE 53 3HD1 ILE 53 6.667 6.617 -16.195 428 HD12 ILE 53 1HD1 ILE 53 7.587 5.148 -15.868 429 HD13 ILE 53 2HD1 ILE 53 7.329 6.331 -14.586 430 H LYS 54 H LYS 54 5.078 1.230 -16.457 431 HA LYS 54 HA LYS 54 3.917 0.868 -19.032 432 HB2 LYS 54 2HB LYS 54 5.964 -0.316 -18.199 433 HB3 LYS 54 1HB LYS 54 4.933 -1.284 -17.148 434 HG2 LYS 54 2HG LYS 54 5.194 -2.654 -19.042 435 HG3 LYS 54 1HG LYS 54 3.642 -1.874 -19.331 436 HD2 LYS 54 2HD LYS 54 4.645 -0.271 -20.835 437 HD3 LYS 54 1HD LYS 54 6.268 -0.818 -20.413 438 HE2 LYS 54 2HE LYS 54 5.510 -3.132 -21.260 439 HE3 LYS 54 1HE LYS 54 4.149 -2.281 -21.990 440 HZ1 LYS 54 3HZ LYS 54 5.474 -1.241 -23.481 441 HZ2 LYS 54 1HZ LYS 54 6.432 -2.622 -23.247 442 HZ3 LYS 54 2HZ LYS 54 6.813 -1.178 -22.437 443 H LYS 55 H LYS 55 2.916 -0.191 -15.815 444 HA LYS 55 HA LYS 55 0.299 -1.025 -16.999 445 HB2 LYS 55 2HB LYS 55 1.588 -3.012 -16.301 446 HB3 LYS 55 1HB LYS 55 1.776 -2.324 -14.688 447 HG2 LYS 55 2HG LYS 55 -0.676 -2.329 -14.397 448 HG3 LYS 55 1HG LYS 55 -0.864 -3.028 -16.006 449 HD2 LYS 55 2HD LYS 55 0.545 -4.968 -15.262 450 HD3 LYS 55 1HD LYS 55 0.537 -4.289 -13.633 451 HE2 LYS 55 2HE LYS 55 -2.142 -4.256 -14.311 452 HE3 LYS 55 1HE LYS 55 -1.574 -5.751 -15.055 453 HZ1 LYS 55 3HZ LYS 55 -1.465 -4.953 -12.213 454 HZ2 LYS 55 1HZ LYS 55 -0.448 -6.164 -12.823 455 HZ3 LYS 55 2HZ LYS 55 -2.134 -6.358 -12.897 456 H ASN 56 H ASN 56 -1.226 0.377 -16.275 457 HA ASN 56 HA ASN 56 -0.800 1.676 -13.629 458 HB2 ASN 56 2HB ASN 56 -1.288 3.017 -15.794 459 HB3 ASN 56 1HB ASN 56 -2.944 2.436 -15.608 460 HD21 ASN 56 1HD2 ASN 56 -1.839 2.541 -12.509 461 HD22 ASN 56 2HD2 ASN 56 -2.281 4.121 -12.081 462 H VAL 57 H VAL 57 -2.171 1.259 -11.952 463 HA VAL 57 HA VAL 57 -4.612 -0.363 -12.520 464 HB VAL 57 HB VAL 57 -2.816 -1.838 -11.695 465 HG11 VAL 57 1HG1 VAL 57 -1.790 0.192 -10.395 466 HG12 VAL 57 2HG1 VAL 57 -1.634 -1.427 -9.718 467 HG13 VAL 57 3HG1 VAL 57 -2.864 -0.326 -9.096 468 HG21 VAL 57 3HG2 VAL 57 -5.231 -2.159 -11.010 469 HG22 VAL 57 1HG2 VAL 57 -4.854 -1.310 -9.511 470 HG23 VAL 57 2HG2 VAL 57 -4.062 -2.841 -9.880 471 H LEU 58 H LEU 58 -6.360 0.020 -11.096 472 HA LEU 58 HA LEU 58 -6.345 2.654 -9.820 473 HB2 LEU 58 2HB LEU 58 -8.318 1.641 -11.060 474 HB3 LEU 58 1HB LEU 58 -8.513 0.534 -9.705 475 HG LEU 58 HG LEU 58 -8.439 3.544 -9.358 476 HD11 LEU 58 1HD1 LEU 58 -10.483 3.632 -10.293 477 HD12 LEU 58 2HD1 LEU 58 -11.061 2.606 -8.979 478 HD13 LEU 58 3HD1 LEU 58 -10.519 1.880 -10.490 479 HD21 LEU 58 3HD2 LEU 58 -8.831 1.197 -7.593 480 HD22 LEU 58 1HD2 LEU 58 -10.005 2.491 -7.375 481 HD23 LEU 58 2HD2 LEU 58 -8.287 2.826 -7.198 482 H TRP 59 H TRP 59 -6.038 3.028 -7.652 483 HA TRP 59 HA TRP 59 -5.484 0.674 -5.948 484 HB2 TRP 59 2HB TRP 59 -5.073 3.644 -5.526 485 HB3 TRP 59 1HB TRP 59 -4.687 2.419 -4.317 486 HD1 TRP 59 HD TRP 59 -3.332 4.089 -7.346 487 HE1 TRP 59 1HE TRP 59 -1.099 3.004 -8.038 488 HE3 TRP 59 3HE TRP 59 -3.406 -0.054 -4.372 489 HZ2 TRP 59 2HZ TRP 59 0.454 0.689 -7.412 490 HZ3 TRP 59 3HZ TRP 59 -1.538 -1.676 -4.435 491 HH2 TRP 59 HH TRP 59 0.388 -1.311 -5.951 492 H ASP 60 H ASP 60 -7.256 -0.164 -5.010 493 HA ASP 60 HA ASP 60 -9.093 1.676 -3.555 494 HB2 ASP 60 2HB ASP 60 -10.122 0.912 -5.738 495 HB3 ASP 60 1HB ASP 60 -10.024 -0.742 -5.134 496 H GLU 61 H GLU 61 -10.413 0.314 -1.905 497 HA GLU 61 HA GLU 61 -8.642 -1.093 -0.208 498 HB2 GLU 61 2HB GLU 61 -11.662 -1.304 -0.411 499 HB3 GLU 61 1HB GLU 61 -10.702 -1.925 0.931 500 HG2 GLU 61 2HG GLU 61 -9.833 0.367 1.343 501 HG3 GLU 61 1HG GLU 61 -10.865 0.970 0.045 502 H ASN 62 H ASN 62 -10.802 -2.285 -2.753 503 HA ASN 62 HA ASN 62 -10.340 -5.084 -2.194 504 HB2 ASN 62 2HB ASN 62 -12.283 -4.213 -3.510 505 HB3 ASN 62 1HB ASN 62 -11.167 -3.793 -4.810 506 HD21 ASN 62 1HD2 ASN 62 -10.525 -5.458 -6.230 507 HD22 ASN 62 2HD2 ASN 62 -10.962 -7.088 -6.037 508 H ASN 63 H ASN 63 -9.128 -2.979 -4.825 509 HA ASN 63 HA ASN 63 -7.243 -4.867 -5.828 510 HB2 ASN 63 2HB ASN 63 -8.052 -2.785 -7.003 511 HB3 ASN 63 1HB ASN 63 -6.988 -1.853 -5.949 512 HD21 ASN 63 1HD2 ASN 63 -4.944 -1.491 -6.821 513 HD22 ASN 63 2HD2 ASN 63 -4.179 -2.489 -7.962 514 H MET 64 H MET 64 -6.921 -2.336 -3.363 515 HA MET 64 HA MET 64 -4.106 -2.473 -3.041 516 HB2 MET 64 2HB MET 64 -5.725 -0.802 -1.986 517 HB3 MET 64 1HB MET 64 -6.063 -2.039 -0.776 518 HG2 MET 64 2HG MET 64 -4.331 -0.661 0.140 519 HG3 MET 64 1HG MET 64 -3.552 -2.158 -0.372 520 HE1 MET 64 3HE MET 64 -3.909 1.512 -0.577 521 HE2 MET 64 1HE MET 64 -4.744 1.259 -2.120 522 HE3 MET 64 2HE MET 64 -3.169 2.050 -2.085 523 H SER 65 H SER 65 -6.690 -4.442 -1.578 524 HA SER 65 HA SER 65 -5.009 -5.933 0.189 525 HB2 SER 65 2HB SER 65 -7.508 -6.911 -1.222 526 HB3 SER 65 1HB SER 65 -6.819 -7.557 0.263 527 HG SER 65 HG SER 65 -8.474 -5.461 -0.091 528 H GLU 66 H GLU 66 -5.972 -6.492 -3.193 529 HA GLU 66 HA GLU 66 -4.648 -9.010 -3.488 530 HB2 GLU 66 2HB GLU 66 -6.312 -8.062 -5.110 531 HB3 GLU 66 1HB GLU 66 -5.087 -6.901 -5.623 532 HG2 GLU 66 2HG GLU 66 -3.582 -8.799 -6.213 533 HG3 GLU 66 1HG GLU 66 -4.878 -9.921 -5.797 534 H HIS 67 H HIS 67 -3.529 -5.688 -3.642 535 HA HIS 67 HA HIS 67 -1.041 -6.058 -4.930 536 HB2 HIS 67 2HB HIS 67 -2.103 -3.867 -4.252 537 HB3 HIS 67 1HB HIS 67 -1.582 -4.198 -2.601 538 HD1 HIS 67 1HD HIS 67 0.084 -4.264 -6.038 539 HD2 HIS 67 2HD HIS 67 0.875 -3.019 -2.136 540 HE1 HIS 67 1HE HIS 67 2.394 -3.226 -6.068 541 HE2 HIS 67 2HE HIS 67 2.867 -2.456 -3.705 542 H LEU 68 H LEU 68 -1.848 -6.271 -1.468 543 HA LEU 68 HA LEU 68 0.806 -6.999 -0.640 544 HB2 LEU 68 2HB LEU 68 -1.840 -7.563 0.726 545 HB3 LEU 68 1HB LEU 68 -0.252 -7.568 1.487 546 HG LEU 68 HG LEU 68 -1.564 -5.175 0.178 547 HD11 LEU 68 1HD1 LEU 68 -1.158 -6.011 3.048 548 HD12 LEU 68 2HD1 LEU 68 -2.661 -5.544 2.250 549 HD13 LEU 68 3HD1 LEU 68 -1.431 -4.330 2.596 550 HD21 LEU 68 3HD2 LEU 68 1.164 -5.729 1.222 551 HD22 LEU 68 1HD2 LEU 68 0.467 -4.159 1.608 552 HD23 LEU 68 2HD2 LEU 68 0.658 -4.649 -0.075 553 H THR 69 H THR 69 -1.959 -8.844 -1.797 554 HA THR 69 HA THR 69 -1.129 -11.418 -0.896 555 HB THR 69 HB THR 69 -2.636 -10.782 -3.446 556 HG1 THR 69 1HG THR 69 -3.253 -10.417 -0.848 557 HG21 THR 69 3HG2 THR 69 -2.098 -13.074 -3.481 558 HG22 THR 69 1HG2 THR 69 -3.701 -13.042 -2.748 559 HG23 THR 69 2HG2 THR 69 -2.272 -13.234 -1.732 560 H ASN 70 H ASN 70 -0.308 -9.628 -3.862 561 HA ASN 70 HA ASN 70 2.046 -11.389 -4.192 562 HB2 ASN 70 2HB ASN 70 -0.070 -12.257 -5.484 563 HB3 ASN 70 1HB ASN 70 0.318 -10.953 -6.604 564 HD21 ASN 70 1HD2 ASN 70 0.687 -14.104 -6.592 565 HD22 ASN 70 2HD2 ASN 70 2.273 -14.283 -7.168 566 HA PRO 71 HA PRO 71 2.500 -6.807 -5.259 567 HB2 PRO 71 2HB PRO 71 4.771 -6.480 -3.708 568 HB3 PRO 71 1HB PRO 71 3.119 -6.114 -3.178 569 HG2 PRO 71 2HG PRO 71 4.810 -8.483 -2.606 570 HG3 PRO 71 1HG PRO 71 3.633 -7.655 -1.576 571 HD2 PRO 71 2HD PRO 71 3.089 -10.016 -2.809 572 HD3 PRO 71 1HD PRO 71 1.839 -8.810 -2.456 573 H ALA 72 H ALA 72 4.588 -9.600 -5.314 574 HA ALA 72 HA ALA 72 6.819 -8.432 -6.682 575 HB1 ALA 72 1HB ALA 72 6.962 -10.625 -5.595 576 HB2 ALA 72 2HB ALA 72 7.377 -10.764 -7.304 577 HB3 ALA 72 3HB ALA 72 5.788 -11.283 -6.737 578 H LYS 73 H LYS 73 4.007 -10.252 -7.982 579 HA LYS 73 HA LYS 73 4.823 -9.552 -10.718 580 HB2 LYS 73 2HB LYS 73 2.985 -10.946 -11.434 581 HB3 LYS 73 1HB LYS 73 3.819 -11.782 -10.124 582 HG2 LYS 73 2HG LYS 73 2.131 -10.846 -8.523 583 HG3 LYS 73 1HG LYS 73 1.255 -10.176 -9.900 584 HD2 LYS 73 2HD LYS 73 1.209 -12.545 -10.852 585 HD3 LYS 73 1HD LYS 73 1.760 -13.089 -9.268 586 HE2 LYS 73 2HE LYS 73 -0.386 -13.069 -8.586 587 HE3 LYS 73 1HE LYS 73 -0.367 -11.313 -8.756 588 HZ1 LYS 73 3HZ LYS 73 -1.323 -11.406 -10.818 589 HZ2 LYS 73 1HZ LYS 73 -2.072 -12.736 -10.078 590 HZ3 LYS 73 2HZ LYS 73 -0.768 -12.979 -11.141 591 H TYR 74 H TYR 74 3.110 -8.016 -8.289 592 HA TYR 74 HA TYR 74 0.908 -6.868 -9.696 593 HB2 TYR 74 2HB TYR 74 1.346 -6.830 -7.206 594 HB3 TYR 74 1HB TYR 74 2.535 -5.565 -7.499 595 HD1 TYR 74 1HD TYR 74 1.828 -3.345 -8.273 596 HD2 TYR 74 2HD TYR 74 -1.039 -6.411 -7.425 597 HE1 TYR 74 1HE TYR 74 0.051 -1.639 -8.194 598 HE2 TYR 74 2HE TYR 74 -2.837 -4.701 -7.351 599 HH TYR 74 HH TYR 74 -2.065 -1.253 -7.532 600 H ILE 75 H ILE 75 4.226 -5.583 -9.163 601 HA ILE 75 HA ILE 75 3.932 -4.051 -11.701 602 HB ILE 75 HB ILE 75 5.187 -2.145 -10.502 603 HG12 ILE 75 2HG1 ILE 75 4.007 -3.573 -8.099 604 HG13 ILE 75 1HG1 ILE 75 5.715 -3.485 -8.483 605 HG21 ILE 75 1HG2 ILE 75 2.800 -1.591 -9.302 606 HG22 ILE 75 2HG2 ILE 75 2.320 -2.864 -10.421 607 HG23 ILE 75 3HG2 ILE 75 3.101 -1.410 -11.027 608 HD11 ILE 75 3HD1 ILE 75 3.918 -1.105 -7.968 609 HD12 ILE 75 1HD1 ILE 75 5.640 -1.032 -8.338 610 HD13 ILE 75 2HD1 ILE 75 5.093 -1.765 -6.831 611 HA PRO 76 HA PRO 76 7.898 -6.529 -11.215 612 HB2 PRO 76 2HB PRO 76 7.457 -6.664 -14.152 613 HB3 PRO 76 1HB PRO 76 7.883 -7.954 -13.014 614 HG2 PRO 76 2HG PRO 76 5.427 -7.717 -14.071 615 HG3 PRO 76 1HG PRO 76 5.712 -8.353 -12.442 616 HD2 PRO 76 2HD PRO 76 4.616 -5.706 -13.259 617 HD3 PRO 76 1HD PRO 76 4.317 -6.645 -11.779 618 H GLY 77 H GLY 77 9.895 -5.550 -11.432 619 HA2 GLY 77 2HA GLY 77 11.561 -4.258 -12.583 620 HA3 GLY 77 1HA GLY 77 10.290 -3.540 -13.562 621 H THR 78 H THR 78 9.574 -3.586 -10.189 622 HA THR 78 HA THR 78 10.193 -0.667 -10.099 623 HB THR 78 HB THR 78 7.812 -1.365 -9.748 624 HG1 THR 78 1HG THR 78 9.355 0.037 -7.906 625 HG21 THR 78 3HG2 THR 78 7.319 -2.272 -7.416 626 HG22 THR 78 1HG2 THR 78 9.016 -2.725 -7.329 627 HG23 THR 78 2HG2 THR 78 7.989 -3.428 -8.568 628 H LYS 79 H LYS 79 10.698 0.115 -7.773 629 HA LYS 79 HA LYS 79 12.924 -1.565 -6.774 630 HB2 LYS 79 2HB LYS 79 12.130 1.288 -6.127 631 HB3 LYS 79 1HB LYS 79 13.581 0.479 -5.540 632 HG2 LYS 79 2HG LYS 79 14.275 0.113 -7.918 633 HG3 LYS 79 1HG LYS 79 12.881 1.065 -8.431 634 HD2 LYS 79 2HD LYS 79 15.036 2.086 -6.559 635 HD3 LYS 79 1HD LYS 79 15.002 2.401 -8.295 636 HE2 LYS 79 2HE LYS 79 12.581 3.265 -7.853 637 HE3 LYS 79 1HE LYS 79 13.095 3.363 -6.169 638 HZ1 LYS 79 3HZ LYS 79 14.538 4.618 -8.437 639 HZ2 LYS 79 1HZ LYS 79 14.890 4.797 -6.788 640 HZ3 LYS 79 2HZ LYS 79 13.450 5.436 -7.422 641 H MET 80 H MET 80 9.819 -1.748 -6.151 642 HA MET 80 HA MET 80 9.582 -1.244 -3.325 643 HB2 MET 80 2HB MET 80 8.026 -2.885 -5.312 644 HB3 MET 80 1HB MET 80 7.679 -3.029 -3.592 645 HG2 MET 80 2HG MET 80 7.906 -0.238 -4.429 646 HG3 MET 80 1HG MET 80 6.641 -1.098 -5.303 647 HE1 MET 80 3HE MET 80 4.039 -1.205 -3.988 648 HE2 MET 80 1HE MET 80 4.340 -2.533 -2.858 649 HE3 MET 80 2HE MET 80 5.097 -2.537 -4.449 650 H ALA 81 H ALA 81 10.135 -2.492 -1.600 651 HA ALA 81 HA ALA 81 11.304 -5.191 -2.172 652 HB1 ALA 81 1HB ALA 81 12.822 -4.839 -0.324 653 HB2 ALA 81 2HB ALA 81 12.000 -3.346 0.128 654 HB3 ALA 81 3HB ALA 81 12.922 -3.425 -1.374 655 H PHE 82 H PHE 82 8.485 -4.367 -1.462 656 HA PHE 82 HA PHE 82 8.176 -5.476 1.265 657 HB2 PHE 82 2HB PHE 82 6.836 -3.493 0.500 658 HB3 PHE 82 1HB PHE 82 6.048 -4.535 -0.685 659 HD1 PHE 82 2HD PHE 82 4.495 -6.289 0.011 660 HD2 PHE 82 1HD PHE 82 6.398 -3.745 2.896 661 HE1 PHE 82 2HE PHE 82 2.898 -7.060 1.736 662 HE2 PHE 82 1HE PHE 82 4.790 -4.508 4.624 663 HZ PHE 82 HZ PHE 82 3.035 -6.162 4.041 664 H GLY 83 H GLY 83 7.630 -7.591 1.617 665 HA2 GLY 83 2HA GLY 83 7.307 -9.356 -0.715 666 HA3 GLY 83 1HA GLY 83 7.456 -9.876 0.963 667 H GLY 84 H GLY 84 5.539 -11.191 -0.305 668 HA2 GLY 84 2HA GLY 84 2.981 -9.746 -0.120 669 HA3 GLY 84 1HA GLY 84 3.186 -11.417 -0.651 670 H LEU 85 H LEU 85 1.215 -10.558 1.261 671 HA LEU 85 HA LEU 85 2.279 -11.631 3.834 672 HB2 LEU 85 2HB LEU 85 -0.378 -10.276 3.273 673 HB3 LEU 85 1HB LEU 85 0.274 -10.688 4.859 674 HG LEU 85 HG LEU 85 1.470 -8.720 2.885 675 HD11 LEU 85 1HD1 LEU 85 0.479 -8.182 5.685 676 HD12 LEU 85 2HD1 LEU 85 -0.606 -8.104 4.298 677 HD13 LEU 85 3HD1 LEU 85 0.786 -7.025 4.389 678 HD21 LEU 85 3HD2 LEU 85 3.349 -9.611 3.959 679 HD22 LEU 85 1HD2 LEU 85 2.463 -9.939 5.449 680 HD23 LEU 85 2HD2 LEU 85 2.919 -8.286 5.040 681 H LYS 86 H LYS 86 1.575 -13.605 4.587 682 HA LYS 86 HA LYS 86 -0.197 -15.159 2.795 683 HB2 LYS 86 2HB LYS 86 1.408 -16.002 5.227 684 HB3 LYS 86 1HB LYS 86 0.507 -17.092 4.173 685 HG2 LYS 86 2HG LYS 86 1.890 -16.225 2.241 686 HG3 LYS 86 1HG LYS 86 2.886 -15.374 3.423 687 HD2 LYS 86 2HD LYS 86 2.383 -18.365 3.426 688 HD3 LYS 86 1HD LYS 86 3.841 -17.592 2.802 689 HE2 LYS 86 2HE LYS 86 4.599 -17.947 4.930 690 HE3 LYS 86 1HE LYS 86 3.725 -16.450 5.257 691 HZ1 LYS 86 3HZ LYS 86 1.831 -17.684 5.963 692 HZ2 LYS 86 1HZ LYS 86 3.179 -18.288 6.797 693 HZ3 LYS 86 2HZ LYS 86 2.532 -19.156 5.489 694 H LYS 87 H LYS 87 -0.570 -13.195 5.479 695 HA LYS 87 HA LYS 87 -2.820 -14.814 6.561 696 HB2 LYS 87 2HB LYS 87 -1.401 -12.378 7.666 697 HB3 LYS 87 1HB LYS 87 -2.779 -13.163 8.439 698 HG2 LYS 87 2HG LYS 87 -1.468 -15.302 8.470 699 HG3 LYS 87 1HG LYS 87 -0.076 -14.405 7.861 700 HD2 LYS 87 2HD LYS 87 -0.241 -12.889 9.836 701 HD3 LYS 87 1HD LYS 87 -1.545 -13.899 10.463 702 HE2 LYS 87 2HE LYS 87 0.256 -14.875 11.541 703 HE3 LYS 87 1HE LYS 87 0.238 -15.835 10.061 704 HZ1 LYS 87 3HZ LYS 87 1.906 -13.431 10.565 705 HZ2 LYS 87 1HZ LYS 87 1.863 -14.303 9.111 706 HZ3 LYS 87 2HZ LYS 87 2.454 -15.039 10.525 707 H GLU 88 H GLU 88 -4.887 -14.206 6.168 708 HA GLU 88 HA GLU 88 -5.372 -11.899 4.427 709 HB2 GLU 88 2HB GLU 88 -6.574 -14.066 4.140 710 HB3 GLU 88 1HB GLU 88 -7.364 -13.798 5.695 711 HG2 GLU 88 2HG GLU 88 -8.279 -11.649 4.819 712 HG3 GLU 88 1HG GLU 88 -7.569 -12.019 3.248 713 H LYS 89 H LYS 89 -6.302 -12.854 7.746 714 HA LYS 89 HA LYS 89 -7.891 -10.572 8.318 715 HB2 LYS 89 2HB LYS 89 -6.187 -12.259 10.173 716 HB3 LYS 89 1HB LYS 89 -7.398 -11.093 10.710 717 HG2 LYS 89 2HG LYS 89 -9.120 -12.341 9.398 718 HG3 LYS 89 1HG LYS 89 -7.897 -13.549 9.004 719 HD2 LYS 89 2HD LYS 89 -7.548 -13.931 11.450 720 HD3 LYS 89 1HD LYS 89 -8.874 -12.814 11.779 721 HE2 LYS 89 2HE LYS 89 -10.190 -14.662 11.680 722 HE3 LYS 89 1HE LYS 89 -10.010 -14.502 9.932 723 HZ1 LYS 89 3HZ LYS 89 -9.020 -16.528 11.649 724 HZ2 LYS 89 1HZ LYS 89 -7.738 -15.790 10.818 725 HZ3 LYS 89 2HZ LYS 89 -9.030 -16.472 9.950 726 H ASP 90 H ASP 90 -4.400 -11.099 8.941 727 HA ASP 90 HA ASP 90 -3.944 -8.512 10.068 728 HB2 ASP 90 2HB ASP 90 -2.085 -10.408 8.607 729 HB3 ASP 90 1HB ASP 90 -1.549 -8.959 9.454 730 H ARG 91 H ARG 91 -3.831 -9.726 6.746 731 HA ARG 91 HA ARG 91 -2.728 -7.434 5.492 732 HB2 ARG 91 2HB ARG 91 -3.107 -9.640 4.388 733 HB3 ARG 91 1HB ARG 91 -4.839 -9.311 4.387 734 HG2 ARG 91 2HG ARG 91 -4.389 -7.223 3.078 735 HG3 ARG 91 1HG ARG 91 -2.694 -7.704 2.977 736 HD2 ARG 91 2HD ARG 91 -5.031 -9.351 1.972 737 HD3 ARG 91 1HD ARG 91 -3.957 -8.392 0.959 738 HE ARG 91 HE ARG 91 -2.183 -10.006 2.253 739 HH11 ARG 91 1HH2 ARG 91 -5.203 -10.566 0.684 740 HH12 ARG 91 2HH2 ARG 91 -4.800 -12.176 0.194 741 HH21 ARG 91 1HH1 ARG 91 -1.640 -12.108 1.620 742 HH22 ARG 91 2HH1 ARG 91 -2.783 -13.050 0.723 743 H ASN 92 H ASN 92 -6.124 -8.206 6.280 744 HA ASN 92 HA ASN 92 -7.283 -5.940 5.010 745 HB2 ASN 92 2HB ASN 92 -8.175 -7.517 7.439 746 HB3 ASN 92 1HB ASN 92 -9.171 -6.319 6.619 747 HD21 ASN 92 1HD2 ASN 92 -10.044 -9.006 6.707 748 HD22 ASN 92 2HD2 ASN 92 -9.949 -9.673 5.152 749 H ASP 93 H ASP 93 -5.976 -6.343 8.305 750 HA ASP 93 HA ASP 93 -6.813 -3.794 9.275 751 HB2 ASP 93 2HB ASP 93 -4.424 -5.492 10.053 752 HB3 ASP 93 1HB ASP 93 -5.017 -4.106 10.967 753 H LEU 94 H LEU 94 -3.849 -4.806 7.560 754 HA LEU 94 HA LEU 94 -2.417 -2.378 7.814 755 HB2 LEU 94 2HB LEU 94 -1.440 -4.436 6.848 756 HB3 LEU 94 1HB LEU 94 -2.478 -4.259 5.432 757 HG LEU 94 HG LEU 94 -1.441 -2.069 4.942 758 HD11 LEU 94 1HD1 LEU 94 -0.715 -1.139 6.933 759 HD12 LEU 94 2HD1 LEU 94 0.811 -1.765 6.310 760 HD13 LEU 94 3HD1 LEU 94 -0.077 -2.667 7.539 761 HD21 LEU 94 3HD2 LEU 94 1.034 -3.571 5.206 762 HD22 LEU 94 1HD2 LEU 94 0.140 -3.148 3.747 763 HD23 LEU 94 2HD2 LEU 94 -0.279 -4.606 4.647 764 H ILE 95 H ILE 95 -4.786 -3.348 5.322 765 HA ILE 95 HA ILE 95 -4.618 -0.891 3.848 766 HB ILE 95 HB ILE 95 -6.931 -2.825 4.062 767 HG12 ILE 95 2HG1 ILE 95 -4.687 -2.691 2.027 768 HG13 ILE 95 1HG1 ILE 95 -4.753 -3.848 3.359 769 HG21 ILE 95 1HG2 ILE 95 -6.618 -0.314 2.715 770 HG22 ILE 95 2HG2 ILE 95 -7.999 -1.409 2.679 771 HG23 ILE 95 3HG2 ILE 95 -6.696 -1.596 1.507 772 HD11 ILE 95 3HD1 ILE 95 -7.277 -3.942 2.069 773 HD12 ILE 95 1HD1 ILE 95 -6.033 -5.192 2.092 774 HD13 ILE 95 2HD1 ILE 95 -6.053 -3.991 0.800 775 H THR 96 H THR 96 -6.800 -2.001 6.423 776 HA THR 96 HA THR 96 -8.493 0.279 6.460 777 HB THR 96 HB THR 96 -7.698 -1.394 8.856 778 HG1 THR 96 1HG THR 96 -9.162 -2.851 8.173 779 HG21 THR 96 3HG2 THR 96 -9.551 -0.536 9.898 780 HG22 THR 96 1HG2 THR 96 -10.450 -0.374 8.389 781 HG23 THR 96 2HG2 THR 96 -9.228 0.824 8.821 782 H TYR 97 H TYR 97 -5.405 -0.351 8.125 783 HA TYR 97 HA TYR 97 -5.403 1.944 9.790 784 HB2 TYR 97 2HB TYR 97 -3.737 0.107 9.946 785 HB3 TYR 97 1HB TYR 97 -3.014 0.658 8.434 786 HD1 TYR 97 1HD TYR 97 -3.766 1.655 11.940 787 HD2 TYR 97 2HD TYR 97 -1.530 2.523 8.378 788 HE1 TYR 97 1HE TYR 97 -2.419 3.319 13.192 789 HE2 TYR 97 2HE TYR 97 -0.182 4.187 9.629 790 HH TYR 97 HH TYR 97 -0.968 5.602 12.233 791 H LEU 98 H LEU 98 -4.087 1.579 6.471 792 HA LEU 98 HA LEU 98 -3.370 4.370 6.261 793 HB2 LEU 98 2HB LEU 98 -3.885 2.283 4.122 794 HB3 LEU 98 1HB LEU 98 -3.232 3.888 3.804 795 HG LEU 98 HG LEU 98 -1.965 1.812 5.617 796 HD11 LEU 98 1HD1 LEU 98 -1.001 1.004 3.749 797 HD12 LEU 98 2HD1 LEU 98 -0.322 2.599 3.417 798 HD13 LEU 98 3HD1 LEU 98 -1.904 2.161 2.772 799 HD21 LEU 98 3HD2 LEU 98 -1.114 3.756 6.500 800 HD22 LEU 98 1HD2 LEU 98 -1.461 4.689 5.045 801 HD23 LEU 98 2HD2 LEU 98 -0.042 3.645 5.104 802 H LYS 99 H LYS 99 -6.243 2.493 5.475 803 HA LYS 99 HA LYS 99 -7.637 4.425 3.956 804 HB2 LYS 99 2HB LYS 99 -8.359 2.048 4.321 805 HB3 LYS 99 1HB LYS 99 -8.827 2.486 5.963 806 HG2 LYS 99 2HG LYS 99 -10.847 2.699 4.821 807 HG3 LYS 99 1HG LYS 99 -10.238 4.353 4.775 808 HD2 LYS 99 2HD LYS 99 -9.303 3.945 2.520 809 HD3 LYS 99 1HD LYS 99 -9.922 2.295 2.567 810 HE2 LYS 99 2HE LYS 99 -11.410 4.873 2.268 811 HE3 LYS 99 1HE LYS 99 -11.654 3.337 1.440 812 HZ1 LYS 99 3HZ LYS 99 -12.456 2.431 3.588 813 HZ2 LYS 99 1HZ LYS 99 -13.440 3.658 2.955 814 HZ3 LYS 99 2HZ LYS 99 -12.380 4.000 4.239 815 H LYS 100 H LYS 100 -7.498 3.971 7.493 816 HA LYS 100 HA LYS 100 -9.350 6.026 8.181 817 HB2 LYS 100 2HB LYS 100 -6.923 4.975 9.661 818 HB3 LYS 100 1HB LYS 100 -8.121 6.057 10.372 819 HG2 LYS 100 2HG LYS 100 -9.892 4.392 9.896 820 HG3 LYS 100 1HG LYS 100 -8.671 3.300 9.240 821 HD2 LYS 100 2HD LYS 100 -7.507 3.276 11.404 822 HD3 LYS 100 1HD LYS 100 -8.702 4.389 12.063 823 HE2 LYS 100 2HE LYS 100 -10.394 2.523 11.194 824 HE3 LYS 100 1HE LYS 100 -8.978 1.489 11.385 825 HZ1 LYS 100 3HZ LYS 100 -9.536 1.399 13.521 826 HZ2 LYS 100 1HZ LYS 100 -10.650 2.672 13.383 827 HZ3 LYS 100 2HZ LYS 100 -9.005 3.008 13.647 828 H ALA 101 H ALA 101 -5.825 6.114 7.770 829 HA ALA 101 HA ALA 101 -5.473 8.868 8.415 830 HB1 ALA 101 1HB ALA 101 -3.295 8.578 7.721 831 HB2 ALA 101 2HB ALA 101 -3.763 7.663 6.289 832 HB3 ALA 101 3HB ALA 101 -3.754 6.880 7.869 833 H THR 102 H THR 102 -6.416 7.260 5.419 834 HA THR 102 HA THR 102 -6.165 9.603 3.748 835 HB THR 102 HB THR 102 -7.433 8.322 2.108 836 HG1 THR 102 1HG THR 102 -8.940 7.082 2.837 837 HG21 THR 102 3HG2 THR 102 -5.172 7.246 3.587 838 HG22 THR 102 1HG2 THR 102 -5.465 7.258 1.847 839 HG23 THR 102 2HG2 THR 102 -6.130 5.964 2.846 840 H GLU 103 H GLU 103 -8.524 8.529 6.041 841 HA GLU 103 HA GLU 103 -10.798 9.949 4.986 842 HB2 GLU 103 2HB GLU 103 -10.929 8.142 6.719 843 HB3 GLU 103 1HB GLU 103 -10.204 9.257 7.879 844 HG2 GLU 103 2HG GLU 103 -12.081 10.848 7.470 845 HG3 GLU 103 1HG GLU 103 -12.825 9.652 6.407 846 HHA HEC 201 HA HEC 104 5.294 3.059 -5.824 847 HHB HEC 201 HB HEC 104 1.431 0.433 -1.567 848 HHC HEC 201 HC HEC 104 6.382 -0.878 2.114 849 HHD HEC 201 HD HEC 104 10.250 1.795 -2.131 850 HMA1 HEC 201 1HMA HEC 104 0.370 2.135 -2.701 851 HMA2 HEC 201 2HMA HEC 104 0.161 1.039 -4.067 852 HMA3 HEC 201 3HMA HEC 104 0.372 2.768 -4.347 853 HAA1 HEC 201 1HAA HEC 104 3.100 1.795 -6.810 854 HAA2 HEC 201 2HAA HEC 104 1.520 2.338 -6.276 855 HBA1 HEC 201 1HBA HEC 104 3.510 3.891 -7.508 856 HBA2 HEC 201 2HBA HEC 104 3.480 4.414 -5.825 857 HMB1 HEC 201 1HMB HEC 104 1.552 -2.228 1.096 858 HMB2 HEC 201 2HMB HEC 104 0.696 -0.689 1.041 859 HMB3 HEC 201 3HMB HEC 104 1.138 -1.513 -0.451 860 HAB HEC 201 HAB HEC 104 4.585 -1.600 3.181 861 HBB1 HEC 201 1HBB HEC 104 1.611 -1.062 3.055 862 HBB2 HEC 201 2HBB HEC 104 2.471 -1.587 4.495 863 HBB3 HEC 201 3HBB HEC 104 2.402 -2.640 3.089 864 HMC1 HEC 201 1HMC HEC 104 8.903 -2.104 1.707 865 HMC2 HEC 201 2HMC HEC 104 8.634 -0.912 2.980 866 HMC3 HEC 201 3HMC HEC 104 10.212 -1.029 2.200 867 HAC HEC 201 HAC HEC 104 11.242 1.753 -0.178 868 HBC1 HEC 201 1HBC HEC 104 11.431 -1.079 0.006 869 HBC2 HEC 201 2HBC HEC 104 12.729 0.072 -0.317 870 HBC3 HEC 201 3HBC HEC 104 12.363 -0.403 1.342 871 HMD1 HEC 201 1HMD HEC 104 10.847 3.561 -4.382 872 HMD2 HEC 201 2HMD HEC 104 10.343 2.664 -5.814 873 HMD3 HEC 201 3HMD HEC 104 10.812 1.797 -4.348 874 HAD1 HEC 201 1HAD HEC 104 8.742 4.645 -6.082 875 HAD2 HEC 201 2HAD HEC 104 6.988 4.676 -6.057 876 HBD1 HEC 201 1HBD HEC 104 8.605 3.736 -8.130 877 HBD2 HEC 201 2HBD HEC 104 7.972 2.278 -7.367 Start of MODEL 20 1 H1 THR -5 1HT THR -5 -15.728 -11.923 -1.358 2 H2 THR -5 2HT THR -5 -14.161 -11.952 -2.015 3 H3 THR -5 3HT THR -5 -15.000 -10.481 -1.878 4 HA THR -5 HA THR -5 -14.687 -11.924 0.610 5 HB THR -5 HB THR -5 -12.250 -10.591 0.387 6 HG1 THR -5 1HG THR -5 -13.033 -11.107 -2.025 7 HG21 THR -5 1HG2 THR -5 -12.665 -12.687 1.594 8 HG22 THR -5 2HG2 THR -5 -11.303 -12.877 0.490 9 HG23 THR -5 3HG2 THR -5 -12.883 -13.537 0.066 10 H GLU -4 H GLU -4 -14.714 -9.105 -1.448 11 HA GLU -4 HA GLU -4 -14.896 -6.808 -0.923 12 HB2 GLU -4 2HB GLU -4 -16.728 -8.054 1.151 13 HB3 GLU -4 1HB GLU -4 -16.764 -6.366 0.640 14 HG2 GLU -4 2HG GLU -4 -17.210 -7.107 -1.693 15 HG3 GLU -4 1HG GLU -4 -17.263 -8.778 -1.127 16 H PHE -3 H PHE -3 -15.485 -5.726 1.732 17 HA PHE -3 HA PHE -3 -12.744 -5.932 2.853 18 HB2 PHE -3 2HB PHE -3 -13.682 -3.681 2.356 19 HB3 PHE -3 1HB PHE -3 -14.984 -3.989 3.504 20 HD1 PHE -3 1HD PHE -3 -14.504 -4.227 5.922 21 HD2 PHE -3 2HD PHE -3 -11.439 -3.164 3.106 22 HE1 PHE -3 1HE PHE -3 -13.057 -3.460 7.785 23 HE2 PHE -3 2HE PHE -3 -9.995 -2.395 4.970 24 HZ PHE -3 HZ PHE -3 -10.805 -2.545 7.307 25 H LYS -2 H LYS -2 -12.388 -7.065 4.702 26 HA LYS -2 HA LYS -2 -14.768 -7.992 6.240 27 HB2 LYS -2 2HB LYS -2 -13.157 -9.699 5.347 28 HB3 LYS -2 1HB LYS -2 -11.911 -8.994 6.378 29 HG2 LYS -2 2HG LYS -2 -13.217 -9.495 8.375 30 HG3 LYS -2 1HG LYS -2 -14.549 -10.096 7.385 31 HD2 LYS -2 2HD LYS -2 -13.279 -12.003 8.177 32 HD3 LYS -2 1HD LYS -2 -12.984 -11.826 6.446 33 HE2 LYS -2 2HE LYS -2 -10.825 -10.967 6.771 34 HE3 LYS -2 1HE LYS -2 -11.159 -10.496 8.439 35 HZ1 LYS -2 3HZ LYS -2 -10.883 -13.266 7.400 36 HZ2 LYS -2 1HZ LYS -2 -11.336 -12.875 8.987 37 HZ3 LYS -2 2HZ LYS -2 -9.793 -12.450 8.417 38 H ALA -1 H ALA -1 -15.034 -7.379 8.367 39 HA ALA -1 HA ALA -1 -13.982 -5.076 9.454 40 HB1 ALA -1 1HB ALA -1 -15.635 -5.892 10.826 41 HB2 ALA -1 2HB ALA -1 -14.246 -6.484 11.738 42 HB3 ALA -1 3HB ALA -1 -15.105 -7.565 10.641 43 H GLY 1 H GLY 1 -11.790 -4.668 9.280 44 HA2 GLY 1 2HA GLY 1 -9.892 -6.735 10.252 45 HA3 GLY 1 1HA GLY 1 -9.455 -5.308 9.314 46 H SER 2 H SER 2 -8.784 -6.484 12.154 47 HA SER 2 HA SER 2 -9.624 -4.627 14.125 48 HB2 SER 2 2HB SER 2 -8.363 -6.755 14.568 49 HB3 SER 2 1HB SER 2 -6.909 -5.971 13.956 50 HG SER 2 HG SER 2 -7.414 -5.917 16.336 51 H ALA 3 H ALA 3 -7.083 -4.422 11.691 52 HA ALA 3 HA ALA 3 -5.974 -2.514 10.879 53 HB1 ALA 3 1HB ALA 3 -7.105 -0.632 12.841 54 HB2 ALA 3 2HB ALA 3 -8.312 -1.497 11.891 55 HB3 ALA 3 3HB ALA 3 -7.074 -0.537 11.082 56 H LYS 4 H LYS 4 -6.293 -2.873 14.389 57 HA LYS 4 HA LYS 4 -4.046 -1.307 15.148 58 HB2 LYS 4 2HB LYS 4 -5.720 -2.280 16.735 59 HB3 LYS 4 1HB LYS 4 -5.002 -3.869 16.463 60 HG2 LYS 4 2HG LYS 4 -2.815 -2.990 17.244 61 HG3 LYS 4 1HG LYS 4 -3.576 -1.434 17.577 62 HD2 LYS 4 2HD LYS 4 -5.160 -2.601 19.127 63 HD3 LYS 4 1HD LYS 4 -4.252 -4.091 18.871 64 HE2 LYS 4 2HE LYS 4 -2.362 -2.060 19.490 65 HE3 LYS 4 1HE LYS 4 -3.665 -1.934 20.672 66 HZ1 LYS 4 3HZ LYS 4 -3.240 -4.617 20.411 67 HZ2 LYS 4 1HZ LYS 4 -2.699 -3.639 21.688 68 HZ3 LYS 4 2HZ LYS 4 -1.674 -3.961 20.372 69 H LYS 5 H LYS 5 -4.225 -4.806 14.393 70 HA LYS 5 HA LYS 5 -1.418 -5.283 14.716 71 HB2 LYS 5 2HB LYS 5 -3.467 -6.708 12.988 72 HB3 LYS 5 1HB LYS 5 -1.847 -7.317 13.331 73 HG2 LYS 5 2HG LYS 5 -2.375 -7.242 15.770 74 HG3 LYS 5 1HG LYS 5 -4.022 -6.754 15.367 75 HD2 LYS 5 2HD LYS 5 -4.263 -8.844 14.015 76 HD3 LYS 5 1HD LYS 5 -2.666 -9.346 14.573 77 HE2 LYS 5 2HE LYS 5 -3.707 -8.842 16.960 78 HE3 LYS 5 1HE LYS 5 -5.226 -9.124 16.109 79 HZ1 LYS 5 3HZ LYS 5 -3.174 -11.058 15.522 80 HZ2 LYS 5 1HZ LYS 5 -4.805 -11.294 15.923 81 HZ3 LYS 5 2HZ LYS 5 -3.656 -11.051 17.151 82 H GLY 6 H GLY 6 -3.387 -4.408 11.887 83 HA2 GLY 6 2HA GLY 6 -1.278 -4.493 9.963 84 HA3 GLY 6 1HA GLY 6 -2.754 -3.542 9.802 85 H ALA 7 H ALA 7 -2.276 -2.036 12.284 86 HA ALA 7 HA ALA 7 -0.856 0.180 11.215 87 HB1 ALA 7 1HB ALA 7 -1.056 -0.330 14.178 88 HB2 ALA 7 2HB ALA 7 -2.494 0.058 13.234 89 HB3 ALA 7 3HB ALA 7 -1.156 1.204 13.313 90 H THR 8 H THR 8 0.209 -2.371 13.464 91 HA THR 8 HA THR 8 2.888 -1.292 13.708 92 HB THR 8 HB THR 8 3.397 -3.380 14.846 93 HG1 THR 8 1HG THR 8 1.299 -4.239 13.299 94 HG21 THR 8 3HG2 THR 8 2.178 -2.761 16.635 95 HG22 THR 8 1HG2 THR 8 0.674 -3.242 15.850 96 HG23 THR 8 2HG2 THR 8 1.340 -1.632 15.570 97 H LEU 9 H LEU 9 1.331 -3.706 11.620 98 HA LEU 9 HA LEU 9 3.679 -4.774 10.418 99 HB2 LEU 9 2HB LEU 9 1.328 -5.626 10.064 100 HB3 LEU 9 1HB LEU 9 1.036 -4.231 9.028 101 HG LEU 9 HG LEU 9 3.258 -5.067 7.842 102 HD11 LEU 9 1HD1 LEU 9 2.141 -7.737 8.614 103 HD12 LEU 9 2HD1 LEU 9 3.264 -6.939 9.718 104 HD13 LEU 9 3HD1 LEU 9 3.767 -7.319 8.070 105 HD21 LEU 9 3HD2 LEU 9 0.512 -6.316 7.523 106 HD22 LEU 9 1HD2 LEU 9 1.809 -6.470 6.338 107 HD23 LEU 9 2HD2 LEU 9 1.127 -4.884 6.696 108 H PHE 10 H PHE 10 1.747 -1.908 9.687 109 HA PHE 10 HA PHE 10 3.198 -1.061 7.370 110 HB2 PHE 10 2HB PHE 10 0.967 -0.172 8.087 111 HB3 PHE 10 1HB PHE 10 1.756 0.637 9.435 112 HD1 PHE 10 2HD PHE 10 1.454 0.519 5.740 113 HD2 PHE 10 1HD PHE 10 3.050 2.633 9.122 114 HE1 PHE 10 2HE PHE 10 1.995 2.452 4.280 115 HE2 PHE 10 1HE PHE 10 3.581 4.563 7.663 116 HZ PHE 10 HZ PHE 10 3.062 4.473 5.245 117 H LYS 11 H LYS 11 3.483 -0.242 10.812 118 HA LYS 11 HA LYS 11 5.691 1.551 10.583 119 HB2 LYS 11 2HB LYS 11 4.179 1.205 12.602 120 HB3 LYS 11 1HB LYS 11 5.099 -0.262 12.932 121 HG2 LYS 11 2HG LYS 11 7.187 1.081 13.007 122 HG3 LYS 11 1HG LYS 11 6.233 2.544 12.758 123 HD2 LYS 11 2HD LYS 11 4.932 1.975 14.828 124 HD3 LYS 11 1HD LYS 11 6.047 0.635 15.104 125 HE2 LYS 11 2HE LYS 11 7.505 2.040 16.077 126 HE3 LYS 11 1HE LYS 11 7.599 2.978 14.587 127 HZ1 LYS 11 3HZ LYS 11 5.626 4.196 15.277 128 HZ2 LYS 11 1HZ LYS 11 6.859 4.344 16.431 129 HZ3 LYS 11 2HZ LYS 11 5.552 3.296 16.717 130 H THR 12 H THR 12 5.546 -1.960 11.065 131 HA THR 12 HA THR 12 8.370 -2.292 11.495 132 HB THR 12 HB THR 12 7.933 -4.674 11.216 133 HG1 THR 12 1HG THR 12 5.416 -4.848 10.751 134 HG21 THR 12 3HG2 THR 12 6.291 -2.909 12.877 135 HG22 THR 12 1HG2 THR 12 7.151 -4.386 13.315 136 HG23 THR 12 2HG2 THR 12 5.542 -4.482 12.598 137 H ARG 13 H ARG 13 6.393 -2.359 8.527 138 HA ARG 13 HA ARG 13 8.919 -2.233 6.997 139 HB2 ARG 13 2HB ARG 13 6.854 -4.418 6.628 140 HB3 ARG 13 1HB ARG 13 8.143 -4.076 5.474 141 HG2 ARG 13 2HG ARG 13 9.805 -4.419 7.332 142 HG3 ARG 13 1HG ARG 13 8.469 -4.936 8.363 143 HD2 ARG 13 2HD ARG 13 7.914 -6.688 6.647 144 HD3 ARG 13 1HD ARG 13 9.392 -6.244 5.792 145 HE ARG 13 HE ARG 13 9.974 -6.827 8.551 146 HH11 ARG 13 1HH2 ARG 13 9.129 -8.223 5.512 147 HH12 ARG 13 2HH2 ARG 13 9.906 -9.735 5.841 148 HH21 ARG 13 1HH1 ARG 13 10.996 -8.794 8.995 149 HH22 ARG 13 2HH1 ARG 13 10.963 -10.059 7.812 150 H CYS 14 H CYS 14 7.455 -0.049 7.054 151 HA CYS 14 HA CYS 14 6.562 0.288 4.344 152 HB2 CYS 14 2HB CYS 14 4.642 -0.987 5.600 153 HB3 CYS 14 1HB CYS 14 4.300 0.601 6.280 154 H LEU 15 H LEU 15 6.040 1.540 7.647 155 HA LEU 15 HA LEU 15 5.702 4.259 6.932 156 HB2 LEU 15 2HB LEU 15 5.259 3.405 9.201 157 HB3 LEU 15 1HB LEU 15 6.986 3.133 9.435 158 HG LEU 15 HG LEU 15 6.618 5.820 8.513 159 HD11 LEU 15 1HD1 LEU 15 5.368 6.626 10.590 160 HD12 LEU 15 2HD1 LEU 15 4.827 4.961 10.796 161 HD13 LEU 15 3HD1 LEU 15 4.381 5.862 9.346 162 HD21 LEU 15 3HD2 LEU 15 8.469 4.823 9.905 163 HD22 LEU 15 1HD2 LEU 15 7.354 4.806 11.272 164 HD23 LEU 15 2HD2 LEU 15 7.828 6.339 10.539 165 H GLN 16 H GLN 16 8.657 2.376 7.430 166 HA GLN 16 HA GLN 16 10.523 4.501 7.479 167 HB2 GLN 16 2HB GLN 16 10.795 1.741 6.250 168 HB3 GLN 16 1HB GLN 16 12.141 2.836 6.558 169 HG2 GLN 16 2HG GLN 16 11.607 2.844 8.958 170 HG3 GLN 16 1HG GLN 16 10.233 1.777 8.664 171 HE21 GLN 16 1HE2 GLN 16 12.311 0.928 10.398 172 HE22 GLN 16 2HE2 GLN 16 13.169 -0.335 9.656 173 H CYS 17 H CYS 17 8.870 2.971 4.752 174 HA CYS 17 HA CYS 17 10.350 4.722 2.861 175 HB2 CYS 17 2HB CYS 17 8.413 2.436 2.447 176 HB3 CYS 17 1HB CYS 17 9.083 3.398 1.130 177 H HIS 18 H HIS 18 6.963 3.930 3.720 178 HA HIS 18 HA HIS 18 6.104 6.403 2.310 179 HB2 HIS 18 2HB HIS 18 4.596 4.016 3.410 180 HB3 HIS 18 1HB HIS 18 3.789 5.453 2.779 181 HD1 HIS 18 1HD HIS 18 4.390 6.044 0.180 182 HD2 HIS 18 2HD HIS 18 5.398 2.220 1.492 183 HE1 HIS 18 1HE HIS 18 4.755 4.639 -1.907 184 H THR 19 H THR 19 6.090 8.196 3.578 185 HA THR 19 HA THR 19 5.825 7.980 6.492 186 HB THR 19 HB THR 19 6.181 10.387 6.494 187 HG1 THR 19 1HG THR 19 5.316 10.073 3.894 188 HG21 THR 19 3HG2 THR 19 7.994 9.658 4.268 189 HG22 THR 19 1HG2 THR 19 8.001 8.561 5.648 190 HG23 THR 19 2HG2 THR 19 8.375 10.269 5.877 191 H VAL 20 H VAL 20 3.741 8.477 3.789 192 HA VAL 20 HA VAL 20 1.521 9.293 3.646 193 HB VAL 20 HB VAL 20 1.259 6.967 4.398 194 HG11 VAL 20 1HG1 VAL 20 2.509 6.952 6.455 195 HG12 VAL 20 2HG1 VAL 20 0.836 6.587 6.866 196 HG13 VAL 20 3HG1 VAL 20 1.480 8.200 7.158 197 HG21 VAL 20 3HG2 VAL 20 -0.956 7.354 4.504 198 HG22 VAL 20 1HG2 VAL 20 -0.601 9.070 4.701 199 HG23 VAL 20 2HG2 VAL 20 -0.799 8.041 6.121 200 H GLU 21 H GLU 21 3.122 11.202 4.954 201 HA GLU 21 HA GLU 21 1.467 12.080 7.270 202 HB2 GLU 21 2HB GLU 21 3.961 12.004 7.523 203 HB3 GLU 21 1HB GLU 21 4.087 13.224 6.255 204 HG2 GLU 21 2HG GLU 21 2.657 14.743 7.620 205 HG3 GLU 21 1HG GLU 21 2.649 13.537 8.907 206 H LYS 22 H LYS 22 0.479 14.152 7.257 207 HA LYS 22 HA LYS 22 -0.621 15.040 4.807 208 HB2 LYS 22 2HB LYS 22 -1.412 16.975 6.031 209 HB3 LYS 22 1HB LYS 22 -1.498 15.577 7.104 210 HG2 LYS 22 2HG LYS 22 0.736 16.227 8.042 211 HG3 LYS 22 1HG LYS 22 0.673 17.694 7.065 212 HD2 LYS 22 2HD LYS 22 -1.576 18.177 8.176 213 HD3 LYS 22 1HD LYS 22 -1.182 16.884 9.310 214 HE2 LYS 22 2HE LYS 22 0.453 19.388 8.805 215 HE3 LYS 22 1HE LYS 22 -0.483 19.026 10.256 216 HZ1 LYS 22 3HZ LYS 22 1.665 18.406 10.812 217 HZ2 LYS 22 1HZ LYS 22 1.991 17.743 9.287 218 HZ3 LYS 22 2HZ LYS 22 0.954 16.930 10.359 219 H GLY 23 H GLY 23 2.308 16.081 6.512 220 HA2 GLY 23 2HA GLY 23 2.911 18.395 5.004 221 HA3 GLY 23 1HA GLY 23 4.129 17.344 5.730 222 H GLY 24 H GLY 24 3.225 14.994 4.201 223 HA2 GLY 24 2HA GLY 24 3.661 13.949 2.151 224 HA3 GLY 24 1HA GLY 24 3.344 15.505 1.385 225 HA PRO 25 HA PRO 25 8.000 15.822 2.544 226 HB2 PRO 25 2HB PRO 25 9.116 13.661 3.837 227 HB3 PRO 25 1HB PRO 25 8.439 15.074 4.670 228 HG2 PRO 25 2HG PRO 25 7.248 12.391 4.220 229 HG3 PRO 25 1HG PRO 25 7.132 13.459 5.628 230 HD2 PRO 25 2HD PRO 25 5.121 13.197 3.790 231 HD3 PRO 25 1HD PRO 25 5.393 14.686 4.721 232 H HIS 26 H HIS 26 6.656 12.751 1.542 233 HA HIS 26 HA HIS 26 7.292 11.253 -0.144 234 HB2 HIS 26 2HB HIS 26 8.590 13.793 -1.168 235 HB3 HIS 26 1HB HIS 26 8.441 12.309 -2.109 236 HD1 HIS 26 1HD HIS 26 5.765 11.357 -2.011 237 HD2 HIS 26 2HD HIS 26 6.442 15.457 -1.650 238 HE1 HIS 26 1HE HIS 26 3.578 12.496 -2.576 239 HE2 HIS 26 2HE HIS 26 3.976 14.992 -2.362 240 H LYS 27 H LYS 27 8.760 10.690 1.960 241 HA LYS 27 HA LYS 27 11.569 11.116 1.843 242 HB2 LYS 27 2HB LYS 27 10.188 10.087 3.748 243 HB3 LYS 27 1HB LYS 27 10.274 8.572 2.849 244 HG2 LYS 27 2HG LYS 27 12.764 8.743 2.858 245 HG3 LYS 27 1HG LYS 27 12.634 10.205 3.836 246 HD2 LYS 27 2HD LYS 27 11.391 8.886 5.560 247 HD3 LYS 27 1HD LYS 27 11.682 7.432 4.605 248 HE2 LYS 27 2HE LYS 27 14.003 9.182 5.356 249 HE3 LYS 27 1HE LYS 27 13.339 8.067 6.551 250 HZ1 LYS 27 3HZ LYS 27 14.484 7.425 3.897 251 HZ2 LYS 27 1HZ LYS 27 13.545 6.316 4.773 252 HZ3 LYS 27 2HZ LYS 27 15.006 6.889 5.423 253 H VAL 28 H VAL 28 11.552 7.840 1.837 254 HA VAL 28 HA VAL 28 12.963 7.631 -0.654 255 HB VAL 28 HB VAL 28 11.729 5.512 1.128 256 HG11 VAL 28 1HG1 VAL 28 13.376 4.015 -0.137 257 HG12 VAL 28 2HG1 VAL 28 13.485 5.311 -1.327 258 HG13 VAL 28 3HG1 VAL 28 11.940 4.513 -1.031 259 HG21 VAL 28 3HG2 VAL 28 14.293 5.173 1.524 260 HG22 VAL 28 1HG2 VAL 28 13.482 6.512 2.333 261 HG23 VAL 28 2HG2 VAL 28 14.438 6.809 0.882 262 H GLY 29 H GLY 29 9.622 6.865 0.288 263 HA2 GLY 29 2HA GLY 29 8.997 6.522 -2.623 264 HA3 GLY 29 1HA GLY 29 8.207 5.569 -1.367 265 HA PRO 30 HA PRO 30 5.941 9.660 -2.437 266 HB2 PRO 30 2HB PRO 30 3.638 8.338 -3.294 267 HB3 PRO 30 1HB PRO 30 4.880 9.027 -4.351 268 HG2 PRO 30 2HG PRO 30 4.449 6.218 -3.527 269 HG3 PRO 30 1HG PRO 30 5.059 6.874 -5.054 270 HD2 PRO 30 2HD PRO 30 6.697 5.732 -3.200 271 HD3 PRO 30 1HD PRO 30 7.235 7.047 -4.270 272 H ASN 31 H ASN 31 4.215 10.497 -1.154 273 HA ASN 31 HA ASN 31 3.663 8.923 1.278 274 HB2 ASN 31 2HB ASN 31 2.781 11.741 0.588 275 HB3 ASN 31 1HB ASN 31 2.828 11.005 2.188 276 HD21 ASN 31 1HD2 ASN 31 5.344 9.796 2.240 277 HD22 ASN 31 2HD2 ASN 31 6.556 10.969 2.049 278 H LEU 32 H LEU 32 1.600 8.165 1.828 279 HA LEU 32 HA LEU 32 -0.369 8.151 -0.383 280 HB2 LEU 32 2HB LEU 32 -0.328 6.651 2.253 281 HB3 LEU 32 1HB LEU 32 -1.535 6.442 0.987 282 HG LEU 32 HG LEU 32 0.334 5.860 -0.600 283 HD11 LEU 32 1HD1 LEU 32 2.344 6.612 0.228 284 HD12 LEU 32 2HD1 LEU 32 2.385 4.980 0.896 285 HD13 LEU 32 3HD1 LEU 32 1.880 6.333 1.905 286 HD21 LEU 32 3HD2 LEU 32 -0.799 4.306 1.553 287 HD22 LEU 32 1HD2 LEU 32 0.831 3.733 1.199 288 HD23 LEU 32 2HD2 LEU 32 -0.381 3.789 -0.081 289 H HIS 33 H HIS 33 -2.384 9.092 -0.241 290 HA HIS 33 HA HIS 33 -3.628 9.980 2.175 291 HB2 HIS 33 2HB HIS 33 -3.341 12.431 1.888 292 HB3 HIS 33 1HB HIS 33 -1.801 11.636 2.210 293 HD1 HIS 33 1HD HIS 33 -0.313 11.096 0.004 294 HD2 HIS 33 2HD HIS 33 -3.401 13.854 -0.500 295 HE1 HIS 33 1HE HIS 33 0.175 12.333 -2.153 296 HE2 HIS 33 2HE HIS 33 -1.698 14.015 -2.470 297 H GLY 34 H GLY 34 -5.344 8.949 0.985 298 HA2 GLY 34 2HA GLY 34 -7.430 9.438 -0.116 299 HA3 GLY 34 1HA GLY 34 -6.649 10.788 -0.942 300 H ILE 35 H ILE 35 -4.565 8.207 -1.035 301 HA ILE 35 HA ILE 35 -4.672 7.860 -3.838 302 HB ILE 35 HB ILE 35 -2.809 7.146 -2.246 303 HG12 ILE 35 2HG1 ILE 35 -3.663 4.933 -4.122 304 HG13 ILE 35 1HG1 ILE 35 -3.082 6.487 -4.723 305 HG21 ILE 35 1HG2 ILE 35 -2.969 5.132 -1.061 306 HG22 ILE 35 2HG2 ILE 35 -4.304 4.543 -2.055 307 HG23 ILE 35 3HG2 ILE 35 -4.586 5.811 -0.861 308 HD11 ILE 35 3HD1 ILE 35 -1.420 4.433 -4.243 309 HD12 ILE 35 1HD1 ILE 35 -1.437 5.147 -2.631 310 HD13 ILE 35 2HD1 ILE 35 -0.926 6.111 -4.016 311 H PHE 36 H PHE 36 -6.675 6.522 -1.345 312 HA PHE 36 HA PHE 36 -7.588 4.188 -2.745 313 HB2 PHE 36 2HB PHE 36 -8.823 5.901 -0.579 314 HB3 PHE 36 1HB PHE 36 -9.579 4.430 -1.185 315 HD1 PHE 36 1HD PHE 36 -6.698 5.810 0.674 316 HD2 PHE 36 2HD PHE 36 -8.633 2.242 -0.742 317 HE1 PHE 36 1HE PHE 36 -5.266 4.437 2.167 318 HE2 PHE 36 2HE PHE 36 -7.201 0.876 0.745 319 HZ PHE 36 HZ PHE 36 -5.519 1.970 2.200 320 H GLY 37 H GLY 37 -9.061 4.015 -4.382 321 HA2 GLY 37 2HA GLY 37 -10.756 4.623 -5.897 322 HA3 GLY 37 1HA GLY 37 -11.144 5.977 -4.836 323 H ARG 38 H ARG 38 -7.866 5.581 -5.951 324 HA ARG 38 HA ARG 38 -8.299 7.723 -7.979 325 HB2 ARG 38 2HB ARG 38 -6.121 7.653 -5.874 326 HB3 ARG 38 1HB ARG 38 -6.194 8.805 -7.208 327 HG2 ARG 38 2HG ARG 38 -8.466 9.507 -6.381 328 HG3 ARG 38 1HG ARG 38 -8.206 8.485 -4.965 329 HD2 ARG 38 2HD ARG 38 -6.036 9.779 -4.593 330 HD3 ARG 38 1HD ARG 38 -6.617 10.915 -5.809 331 HE ARG 38 HE ARG 38 -7.586 10.717 -3.081 332 HH11 ARG 38 1HH2 ARG 38 -8.389 11.417 -6.361 333 HH12 ARG 38 2HH2 ARG 38 -9.698 12.478 -5.953 334 HH21 ARG 38 1HH1 ARG 38 -9.289 12.095 -2.530 335 HH22 ARG 38 2HH1 ARG 38 -10.207 12.862 -3.783 336 H HIS 39 H HIS 39 -6.557 7.833 -9.590 337 HA HIS 39 HA HIS 39 -5.503 5.138 -10.177 338 HB2 HIS 39 2HB HIS 39 -5.536 7.705 -11.793 339 HB3 HIS 39 1HB HIS 39 -4.878 6.173 -12.372 340 HD1 HIS 39 1HD HIS 39 -8.102 7.922 -11.624 341 HD2 HIS 39 2HD HIS 39 -6.848 4.156 -12.904 342 HE1 HIS 39 1HE HIS 39 -10.174 6.718 -12.451 343 HE2 HIS 39 2HE HIS 39 -9.422 4.425 -13.230 344 H SER 40 H SER 40 -3.273 4.719 -10.443 345 HA SER 40 HA SER 40 -1.493 6.124 -8.705 346 HB2 SER 40 2HB SER 40 -1.350 3.704 -9.691 347 HB3 SER 40 1HB SER 40 -0.510 4.485 -11.028 348 HG SER 40 HG SER 40 0.701 3.698 -9.031 349 H GLY 41 H GLY 41 0.395 7.398 -9.295 350 HA2 GLY 41 2HA GLY 41 1.692 8.672 -10.907 351 HA3 GLY 41 1HA GLY 41 0.315 8.611 -12.005 352 H GLN 42 H GLN 42 -1.312 9.236 -9.374 353 HA GLN 42 HA GLN 42 -1.677 12.016 -9.912 354 HB2 GLN 42 2HB GLN 42 -3.342 10.512 -8.765 355 HB3 GLN 42 1HB GLN 42 -2.330 10.583 -7.323 356 HG2 GLN 42 2HG GLN 42 -2.533 13.068 -7.342 357 HG3 GLN 42 1HG GLN 42 -3.629 12.942 -8.717 358 HE21 GLN 42 1HE2 GLN 42 -5.764 13.103 -8.047 359 HE22 GLN 42 2HE2 GLN 42 -6.386 12.475 -6.599 360 H ALA 43 H ALA 43 0.333 10.319 -7.536 361 HA ALA 43 HA ALA 43 1.093 12.637 -6.033 362 HB1 ALA 43 1HB ALA 43 2.867 10.241 -6.483 363 HB2 ALA 43 2HB ALA 43 1.452 10.165 -5.435 364 HB3 ALA 43 3HB ALA 43 2.768 11.275 -5.059 365 H GLU 44 H GLU 44 1.313 14.007 -8.079 366 HA GLU 44 HA GLU 44 3.503 13.704 -9.874 367 HB2 GLU 44 2HB GLU 44 2.125 16.225 -8.895 368 HB3 GLU 44 1HB GLU 44 3.234 16.158 -10.266 369 HG2 GLU 44 2HG GLU 44 1.744 14.501 -11.365 370 HG3 GLU 44 1HG GLU 44 0.617 14.646 -10.015 371 H GLY 45 H GLY 45 3.299 15.033 -6.624 372 HA2 GLY 45 2HA GLY 45 5.708 16.483 -6.501 373 HA3 GLY 45 1HA GLY 45 5.006 15.625 -5.127 374 H TYR 46 H TYR 46 5.175 12.994 -6.431 375 HA TYR 46 HA TYR 46 8.150 12.635 -6.388 376 HB2 TYR 46 2HB TYR 46 6.943 11.789 -4.334 377 HB3 TYR 46 1HB TYR 46 6.099 10.648 -5.382 378 HD1 TYR 46 1HD TYR 46 9.475 11.727 -4.239 379 HD2 TYR 46 2HD TYR 46 7.152 8.649 -6.129 380 HE1 TYR 46 1HE TYR 46 11.423 10.198 -4.139 381 HE2 TYR 46 2HE TYR 46 9.104 7.121 -6.035 382 HH TYR 46 HH TYR 46 11.217 6.934 -4.518 383 H SER 47 H SER 47 9.009 11.264 -7.949 384 HA SER 47 HA SER 47 7.383 10.768 -10.301 385 HB2 SER 47 2HB SER 47 9.830 11.312 -10.366 386 HB3 SER 47 1HB SER 47 10.160 9.728 -9.670 387 HG SER 47 HG SER 47 10.187 9.962 -12.063 388 H TYR 48 H TYR 48 7.054 8.630 -11.270 389 HA TYR 48 HA TYR 48 6.635 6.532 -9.187 390 HB2 TYR 48 2HB TYR 48 5.299 7.102 -11.835 391 HB3 TYR 48 1HB TYR 48 5.125 5.544 -11.029 392 HD1 TYR 48 2HD TYR 48 4.928 9.210 -10.224 393 HD2 TYR 48 1HD TYR 48 3.357 5.269 -9.552 394 HE1 TYR 48 2HE TYR 48 3.176 10.155 -8.745 395 HE2 TYR 48 1HE TYR 48 1.611 6.217 -8.072 396 HH TYR 48 HH TYR 48 0.941 8.051 -6.968 397 H THR 49 H THR 49 7.300 4.366 -9.642 398 HA THR 49 HA THR 49 9.765 4.114 -11.073 399 HB THR 49 HB THR 49 8.745 2.627 -9.173 400 HG1 THR 49 1HG THR 49 9.847 0.762 -10.511 401 HG21 THR 49 3HG2 THR 49 6.742 2.090 -10.688 402 HG22 THR 49 1HG2 THR 49 7.504 0.726 -9.866 403 HG23 THR 49 2HG2 THR 49 7.844 1.031 -11.569 404 H ASP 50 H ASP 50 10.160 2.883 -13.037 405 HA ASP 50 HA ASP 50 8.515 3.568 -15.217 406 HB2 ASP 50 2HB ASP 50 10.505 1.318 -14.917 407 HB3 ASP 50 1HB ASP 50 9.781 1.781 -16.455 408 H ALA 51 H ALA 51 8.447 0.650 -13.201 409 HA ALA 51 HA ALA 51 6.729 -0.911 -14.833 410 HB1 ALA 51 1HB ALA 51 7.951 -1.627 -12.705 411 HB2 ALA 51 2HB ALA 51 6.305 -2.231 -12.896 412 HB3 ALA 51 3HB ALA 51 6.626 -0.879 -11.814 413 H ASN 52 H ASN 52 5.765 1.112 -12.015 414 HA ASN 52 HA ASN 52 2.972 0.858 -12.454 415 HB2 ASN 52 2HB ASN 52 4.090 1.851 -10.409 416 HB3 ASN 52 1HB ASN 52 4.339 3.324 -11.347 417 HD21 ASN 52 1HD2 ASN 52 1.782 1.183 -10.026 418 HD22 ASN 52 2HD2 ASN 52 0.552 2.351 -10.096 419 H ILE 53 H ILE 53 5.291 3.223 -13.770 420 HA ILE 53 HA ILE 53 3.370 4.840 -15.119 421 HB ILE 53 HB ILE 53 6.257 4.246 -15.834 422 HG12 ILE 53 2HG1 ILE 53 5.064 6.586 -14.318 423 HG13 ILE 53 1HG1 ILE 53 5.806 5.192 -13.535 424 HG21 ILE 53 1HG2 ILE 53 4.224 6.212 -16.836 425 HG22 ILE 53 2HG2 ILE 53 5.382 5.247 -17.751 426 HG23 ILE 53 3HG2 ILE 53 5.932 6.646 -16.828 427 HD11 ILE 53 3HD1 ILE 53 7.944 5.707 -14.355 428 HD12 ILE 53 1HD1 ILE 53 7.276 7.299 -13.994 429 HD13 ILE 53 2HD1 ILE 53 7.304 6.711 -15.657 430 H LYS 54 H LYS 54 5.201 1.964 -16.161 431 HA LYS 54 HA LYS 54 4.273 1.902 -18.853 432 HB2 LYS 54 2HB LYS 54 6.120 0.480 -17.936 433 HB3 LYS 54 1HB LYS 54 4.907 -0.470 -17.075 434 HG2 LYS 54 2HG LYS 54 3.841 -1.086 -19.189 435 HG3 LYS 54 1HG LYS 54 4.968 -0.065 -20.078 436 HD2 LYS 54 2HD LYS 54 5.802 -2.312 -20.246 437 HD3 LYS 54 1HD LYS 54 6.849 -1.461 -19.112 438 HE2 LYS 54 2HE LYS 54 6.065 -3.806 -18.418 439 HE3 LYS 54 1HE LYS 54 5.853 -2.522 -17.230 440 HZ1 LYS 54 3HZ LYS 54 3.903 -4.137 -17.852 441 HZ2 LYS 54 1HZ LYS 54 3.678 -3.037 -19.124 442 HZ3 LYS 54 2HZ LYS 54 3.608 -2.497 -17.514 443 H LYS 55 H LYS 55 2.913 0.548 -15.871 444 HA LYS 55 HA LYS 55 0.337 0.149 -17.335 445 HB2 LYS 55 2HB LYS 55 1.467 -2.026 -16.845 446 HB3 LYS 55 1HB LYS 55 1.467 -1.611 -15.133 447 HG2 LYS 55 2HG LYS 55 -0.451 -2.960 -15.363 448 HG3 LYS 55 1HG LYS 55 -1.103 -1.324 -15.424 449 HD2 LYS 55 2HD LYS 55 -1.227 -1.393 -17.843 450 HD3 LYS 55 1HD LYS 55 -0.374 -2.937 -17.885 451 HE2 LYS 55 2HE LYS 55 -2.635 -3.164 -16.127 452 HE3 LYS 55 1HE LYS 55 -3.173 -2.505 -17.672 453 HZ1 LYS 55 3HZ LYS 55 -1.966 -5.099 -17.075 454 HZ2 LYS 55 1HZ LYS 55 -1.591 -4.387 -18.568 455 HZ3 LYS 55 2HZ LYS 55 -3.210 -4.705 -18.162 456 H ASN 56 H ASN 56 -1.277 1.338 -16.421 457 HA ASN 56 HA ASN 56 -0.809 2.443 -13.702 458 HB2 ASN 56 2HB ASN 56 -1.495 3.877 -15.759 459 HB3 ASN 56 1HB ASN 56 -3.104 3.199 -15.503 460 HD21 ASN 56 1HD2 ASN 56 -1.798 3.195 -12.478 461 HD22 ASN 56 2HD2 ASN 56 -2.294 4.724 -11.934 462 H VAL 57 H VAL 57 -2.198 1.983 -11.998 463 HA VAL 57 HA VAL 57 -4.447 0.097 -12.568 464 HB VAL 57 HB VAL 57 -2.455 -1.103 -11.665 465 HG11 VAL 57 1HG1 VAL 57 -1.386 -0.454 -9.739 466 HG12 VAL 57 2HG1 VAL 57 -2.867 0.159 -9.002 467 HG13 VAL 57 3HG1 VAL 57 -2.014 1.125 -10.205 468 HG21 VAL 57 3HG2 VAL 57 -4.150 -1.342 -9.330 469 HG22 VAL 57 1HG2 VAL 57 -3.933 -2.479 -10.660 470 HG23 VAL 57 2HG2 VAL 57 -5.135 -1.194 -10.785 471 H LEU 58 H LEU 58 -6.246 0.293 -11.165 472 HA LEU 58 HA LEU 58 -6.520 2.929 -9.901 473 HB2 LEU 58 2HB LEU 58 -8.403 1.953 -11.178 474 HB3 LEU 58 1HB LEU 58 -8.454 0.592 -10.058 475 HG LEU 58 HG LEU 58 -8.894 2.196 -8.190 476 HD11 LEU 58 1HD1 LEU 58 -8.418 4.099 -10.388 477 HD12 LEU 58 2HD1 LEU 58 -8.269 4.329 -8.647 478 HD13 LEU 58 3HD1 LEU 58 -9.848 4.456 -9.420 479 HD21 LEU 58 3HD2 LEU 58 -11.227 2.752 -8.909 480 HD22 LEU 58 1HD2 LEU 58 -10.778 1.080 -9.247 481 HD23 LEU 58 2HD2 LEU 58 -10.796 2.268 -10.549 482 H TRP 59 H TRP 59 -6.276 3.305 -7.737 483 HA TRP 59 HA TRP 59 -5.670 0.955 -6.035 484 HB2 TRP 59 2HB TRP 59 -5.129 3.911 -5.726 485 HB3 TRP 59 1HB TRP 59 -4.829 2.741 -4.437 486 HD1 TRP 59 HD TRP 59 -3.404 4.053 -7.637 487 HE1 TRP 59 1HE TRP 59 -1.238 2.775 -8.217 488 HE3 TRP 59 3HE TRP 59 -3.668 0.287 -4.216 489 HZ2 TRP 59 2HZ TRP 59 0.188 0.453 -7.341 490 HZ3 TRP 59 3HZ TRP 59 -1.899 -1.436 -4.103 491 HH2 TRP 59 HH TRP 59 0.032 -1.358 -5.662 492 H ASP 60 H ASP 60 -7.094 0.236 -4.632 493 HA ASP 60 HA ASP 60 -8.880 2.001 -3.146 494 HB2 ASP 60 2HB ASP 60 -10.962 0.918 -3.863 495 HB3 ASP 60 1HB ASP 60 -10.154 1.630 -5.260 496 H GLU 61 H GLU 61 -10.535 0.102 -1.993 497 HA GLU 61 HA GLU 61 -8.751 -1.247 -0.220 498 HB2 GLU 61 2HB GLU 61 -11.681 -1.770 -0.796 499 HB3 GLU 61 1HB GLU 61 -10.793 -2.440 0.572 500 HG2 GLU 61 2HG GLU 61 -10.263 -0.134 1.331 501 HG3 GLU 61 1HG GLU 61 -11.223 0.506 -0.003 502 H ASN 62 H ASN 62 -10.605 -2.479 -3.014 503 HA ASN 62 HA ASN 62 -9.770 -5.215 -2.684 504 HB2 ASN 62 2HB ASN 62 -11.732 -4.557 -4.035 505 HB3 ASN 62 1HB ASN 62 -10.663 -3.767 -5.193 506 HD21 ASN 62 1HD2 ASN 62 -9.598 -5.080 -6.740 507 HD22 ASN 62 2HD2 ASN 62 -9.768 -6.769 -6.811 508 H ASN 63 H ASN 63 -8.672 -2.721 -4.986 509 HA ASN 63 HA ASN 63 -6.599 -4.208 -6.175 510 HB2 ASN 63 2HB ASN 63 -7.495 -1.993 -6.951 511 HB3 ASN 63 1HB ASN 63 -6.561 -1.227 -5.664 512 HD21 ASN 63 1HD2 ASN 63 -4.506 -0.574 -6.286 513 HD22 ASN 63 2HD2 ASN 63 -3.614 -1.242 -7.566 514 H MET 64 H MET 64 -6.526 -2.237 -3.215 515 HA MET 64 HA MET 64 -3.719 -2.284 -2.806 516 HB2 MET 64 2HB MET 64 -5.994 -2.296 -0.804 517 HB3 MET 64 1HB MET 64 -4.304 -2.054 -0.362 518 HG2 MET 64 2HG MET 64 -5.347 -0.365 -2.575 519 HG3 MET 64 1HG MET 64 -5.954 -0.006 -0.960 520 HE1 MET 64 3HE MET 64 -3.461 2.436 -2.352 521 HE2 MET 64 1HE MET 64 -4.100 2.690 -0.721 522 HE3 MET 64 2HE MET 64 -5.129 2.011 -1.980 523 H SER 65 H SER 65 -6.216 -4.650 -1.886 524 HA SER 65 HA SER 65 -4.420 -6.416 -0.498 525 HB2 SER 65 2HB SER 65 -6.198 -8.056 -0.658 526 HB3 SER 65 1HB SER 65 -6.928 -6.484 -0.344 527 HG SER 65 HG SER 65 -7.470 -6.329 -2.495 528 H GLU 66 H GLU 66 -5.307 -6.048 -3.890 529 HA GLU 66 HA GLU 66 -4.149 -8.510 -4.814 530 HB2 GLU 66 2HB GLU 66 -5.742 -7.107 -6.134 531 HB3 GLU 66 1HB GLU 66 -4.464 -5.909 -6.337 532 HG2 GLU 66 2HG GLU 66 -3.040 -7.657 -7.402 533 HG3 GLU 66 1HG GLU 66 -4.386 -8.790 -7.278 534 H HIS 67 H HIS 67 -2.817 -5.251 -4.342 535 HA HIS 67 HA HIS 67 -0.329 -5.650 -5.646 536 HB2 HIS 67 2HB HIS 67 -1.202 -3.467 -4.780 537 HB3 HIS 67 1HB HIS 67 -0.828 -4.009 -3.146 538 HD1 HIS 67 1HD HIS 67 1.076 -3.861 -6.459 539 HD2 HIS 67 2HD HIS 67 1.660 -3.077 -2.409 540 HE1 HIS 67 1HE HIS 67 3.452 -3.009 -6.233 541 HE2 HIS 67 2HE HIS 67 3.819 -2.535 -3.768 542 H LEU 68 H LEU 68 -1.202 -6.163 -2.228 543 HA LEU 68 HA LEU 68 1.382 -7.291 -1.558 544 HB2 LEU 68 2HB LEU 68 -1.301 -7.226 -0.168 545 HB3 LEU 68 1HB LEU 68 0.085 -8.071 0.515 546 HG LEU 68 HG LEU 68 1.407 -5.988 0.429 547 HD11 LEU 68 1HD1 LEU 68 -1.131 -4.958 -0.825 548 HD12 LEU 68 2HD1 LEU 68 0.529 -4.773 -1.387 549 HD13 LEU 68 3HD1 LEU 68 -0.034 -3.865 0.015 550 HD21 LEU 68 3HD2 LEU 68 -0.772 -6.557 2.137 551 HD22 LEU 68 1HD2 LEU 68 -0.862 -4.829 1.792 552 HD23 LEU 68 2HD2 LEU 68 0.609 -5.514 2.480 553 H THR 69 H THR 69 -1.610 -8.581 -2.837 554 HA THR 69 HA THR 69 -0.793 -11.356 -2.266 555 HB THR 69 HB THR 69 -3.105 -10.380 -3.966 556 HG1 THR 69 1HG THR 69 -4.112 -11.082 -1.783 557 HG21 THR 69 3HG2 THR 69 -2.190 -12.850 -3.949 558 HG22 THR 69 1HG2 THR 69 -3.925 -12.555 -3.849 559 HG23 THR 69 2HG2 THR 69 -3.009 -12.928 -2.390 560 H ASN 70 H ASN 70 0.346 -12.595 -3.669 561 HA ASN 70 HA ASN 70 1.749 -13.005 -5.532 562 HB2 ASN 70 2HB ASN 70 -1.018 -12.558 -6.667 563 HB3 ASN 70 1HB ASN 70 0.327 -13.139 -7.650 564 HD21 ASN 70 1HD2 ASN 70 0.482 -14.123 -4.342 565 HD22 ASN 70 2HD2 ASN 70 -0.074 -15.712 -4.562 566 HA PRO 71 HA PRO 71 1.963 -8.331 -6.503 567 HB2 PRO 71 2HB PRO 71 4.614 -8.191 -5.617 568 HB3 PRO 71 1HB PRO 71 3.190 -7.661 -4.708 569 HG2 PRO 71 2HG PRO 71 4.758 -10.163 -4.478 570 HG3 PRO 71 1HG PRO 71 3.907 -9.238 -3.231 571 HD2 PRO 71 2HD PRO 71 2.921 -11.562 -4.226 572 HD3 PRO 71 1HD PRO 71 1.867 -10.236 -3.681 573 H ALA 72 H ALA 72 3.797 -11.200 -7.200 574 HA ALA 72 HA ALA 72 5.714 -10.150 -9.018 575 HB1 ALA 72 1HB ALA 72 6.071 -12.386 -8.427 576 HB2 ALA 72 2HB ALA 72 5.455 -12.528 -10.074 577 HB3 ALA 72 3HB ALA 72 4.386 -12.830 -8.704 578 H LYS 73 H LYS 73 2.339 -11.163 -9.572 579 HA LYS 73 HA LYS 73 2.601 -10.462 -12.428 580 HB2 LYS 73 2HB LYS 73 0.267 -11.543 -10.827 581 HB3 LYS 73 1HB LYS 73 0.230 -11.237 -12.564 582 HG2 LYS 73 2HG LYS 73 2.171 -12.791 -12.831 583 HG3 LYS 73 1HG LYS 73 2.063 -13.166 -11.112 584 HD2 LYS 73 2HD LYS 73 -0.290 -13.914 -11.456 585 HD3 LYS 73 1HD LYS 73 -0.100 -13.629 -13.187 586 HE2 LYS 73 2HE LYS 73 1.624 -15.306 -13.349 587 HE3 LYS 73 1HE LYS 73 1.697 -15.476 -11.596 588 HZ1 LYS 73 3HZ LYS 73 -0.942 -15.851 -12.644 589 HZ2 LYS 73 1HZ LYS 73 -0.045 -16.836 -11.593 590 HZ3 LYS 73 2HZ LYS 73 0.170 -16.969 -13.273 591 H TYR 74 H TYR 74 2.237 -8.666 -9.742 592 HA TYR 74 HA TYR 74 0.291 -6.791 -11.042 593 HB2 TYR 74 2HB TYR 74 -0.442 -7.688 -8.845 594 HB3 TYR 74 1HB TYR 74 1.025 -7.043 -8.115 595 HD1 TYR 74 1HD TYR 74 1.401 -4.588 -7.995 596 HD2 TYR 74 2HD TYR 74 -2.291 -6.253 -9.427 597 HE1 TYR 74 1HE TYR 74 0.289 -2.404 -7.663 598 HE2 TYR 74 2HE TYR 74 -3.403 -4.061 -9.097 599 HH TYR 74 HH TYR 74 -1.730 -1.380 -7.525 600 H ILE 75 H ILE 75 1.285 -5.040 -11.894 601 HA ILE 75 HA ILE 75 3.033 -3.503 -12.340 602 HB ILE 75 HB ILE 75 2.742 -3.243 -9.331 603 HG12 ILE 75 2HG1 ILE 75 0.567 -3.141 -10.424 604 HG13 ILE 75 1HG1 ILE 75 1.035 -1.517 -9.926 605 HG21 ILE 75 1HG2 ILE 75 3.911 -1.298 -9.448 606 HG22 ILE 75 2HG2 ILE 75 3.212 -0.859 -11.002 607 HG23 ILE 75 3HG2 ILE 75 4.572 -1.976 -10.935 608 HD11 ILE 75 3HD1 ILE 75 0.920 -2.699 -12.684 609 HD12 ILE 75 1HD1 ILE 75 2.051 -1.388 -12.359 610 HD13 ILE 75 2HD1 ILE 75 0.322 -1.142 -12.116 611 HA PRO 76 HA PRO 76 6.312 -6.446 -10.644 612 HB2 PRO 76 2HB PRO 76 7.099 -7.432 -13.082 613 HB3 PRO 76 1HB PRO 76 5.854 -8.187 -12.071 614 HG2 PRO 76 2HG PRO 76 5.556 -6.459 -14.467 615 HG3 PRO 76 1HG PRO 76 4.596 -7.853 -13.950 616 HD2 PRO 76 2HD PRO 76 3.775 -5.252 -13.622 617 HD3 PRO 76 1HD PRO 76 3.251 -6.585 -12.571 618 H GLY 77 H GLY 77 8.549 -5.961 -10.694 619 HA2 GLY 77 2HA GLY 77 10.528 -4.985 -11.693 620 HA3 GLY 77 1HA GLY 77 9.483 -4.015 -12.728 621 H THR 78 H THR 78 8.173 -3.918 -9.668 622 HA THR 78 HA THR 78 9.034 -1.163 -9.285 623 HB THR 78 HB THR 78 7.614 -1.189 -7.309 624 HG1 THR 78 1HG THR 78 7.976 -3.089 -6.352 625 HG21 THR 78 3HG2 THR 78 5.580 -2.519 -8.496 626 HG22 THR 78 1HG2 THR 78 6.673 -2.350 -9.868 627 HG23 THR 78 2HG2 THR 78 6.115 -0.917 -9.004 628 H LYS 79 H LYS 79 10.023 -0.442 -7.189 629 HA LYS 79 HA LYS 79 12.355 -2.126 -6.586 630 HB2 LYS 79 2HB LYS 79 11.533 0.593 -5.520 631 HB3 LYS 79 1HB LYS 79 13.099 -0.178 -5.266 632 HG2 LYS 79 2HG LYS 79 13.426 -0.242 -7.742 633 HG3 LYS 79 1HG LYS 79 11.917 0.652 -7.932 634 HD2 LYS 79 2HD LYS 79 14.304 1.624 -6.333 635 HD3 LYS 79 1HD LYS 79 13.918 2.142 -7.975 636 HE2 LYS 79 2HE LYS 79 12.740 3.791 -6.937 637 HE3 LYS 79 1HE LYS 79 11.520 2.539 -6.715 638 HZ1 LYS 79 3HZ LYS 79 11.767 3.003 -4.558 639 HZ2 LYS 79 1HZ LYS 79 13.261 3.775 -4.780 640 HZ3 LYS 79 2HZ LYS 79 13.192 2.082 -4.659 641 H MET 80 H MET 80 9.290 -2.280 -5.502 642 HA MET 80 HA MET 80 9.871 -2.396 -2.619 643 HB2 MET 80 2HB MET 80 7.359 -3.039 -4.191 644 HB3 MET 80 1HB MET 80 7.474 -3.053 -2.430 645 HG2 MET 80 2HG MET 80 8.306 -0.654 -2.588 646 HG3 MET 80 1HG MET 80 7.828 -0.691 -4.284 647 HE1 MET 80 3HE MET 80 5.608 -0.270 -5.156 648 HE2 MET 80 1HE MET 80 4.111 -0.823 -4.393 649 HE3 MET 80 2HE MET 80 5.373 -1.981 -4.808 650 H ALA 81 H ALA 81 10.518 -4.199 -1.586 651 HA ALA 81 HA ALA 81 10.329 -6.799 -3.042 652 HB1 ALA 81 1HB ALA 81 11.940 -6.995 -0.687 653 HB2 ALA 81 2HB ALA 81 12.429 -5.542 -1.560 654 HB3 ALA 81 3HB ALA 81 12.456 -7.109 -2.368 655 H PHE 82 H PHE 82 8.550 -5.119 -0.950 656 HA PHE 82 HA PHE 82 8.019 -7.387 0.906 657 HB2 PHE 82 2HB PHE 82 8.377 -5.211 1.979 658 HB3 PHE 82 1HB PHE 82 7.092 -4.502 0.999 659 HD1 PHE 82 2HD PHE 82 4.747 -5.070 1.379 660 HD2 PHE 82 1HD PHE 82 7.862 -6.761 3.802 661 HE1 PHE 82 2HE PHE 82 3.053 -5.833 3.019 662 HE2 PHE 82 1HE PHE 82 6.166 -7.527 5.444 663 HZ PHE 82 HZ PHE 82 3.764 -7.061 5.054 664 H GLY 83 H GLY 83 6.130 -8.527 0.757 665 HA2 GLY 83 2HA GLY 83 3.598 -7.898 0.131 666 HA3 GLY 83 1HA GLY 83 4.319 -7.858 -1.478 667 H GLY 84 H GLY 84 2.538 -9.687 -1.538 668 HA2 GLY 84 2HA GLY 84 2.299 -11.980 -2.053 669 HA3 GLY 84 1HA GLY 84 3.984 -12.216 -1.585 670 H LEU 85 H LEU 85 1.478 -10.757 0.456 671 HA LEU 85 HA LEU 85 2.121 -12.677 2.579 672 HB2 LEU 85 2HB LEU 85 -0.007 -10.513 2.510 673 HB3 LEU 85 1HB LEU 85 0.553 -11.377 3.941 674 HG LEU 85 HG LEU 85 2.208 -9.530 2.195 675 HD11 LEU 85 1HD1 LEU 85 2.252 -8.765 4.901 676 HD12 LEU 85 2HD1 LEU 85 0.568 -9.168 4.564 677 HD13 LEU 85 3HD1 LEU 85 1.396 -7.953 3.589 678 HD21 LEU 85 3HD2 LEU 85 2.897 -11.440 4.416 679 HD22 LEU 85 1HD2 LEU 85 3.822 -9.950 4.231 680 HD23 LEU 85 2HD2 LEU 85 3.768 -11.123 2.915 681 H LYS 86 H LYS 86 0.747 -14.302 3.340 682 HA LYS 86 HA LYS 86 -1.193 -15.361 1.453 683 HB2 LYS 86 2HB LYS 86 0.226 -16.768 2.999 684 HB3 LYS 86 1HB LYS 86 -0.757 -16.178 4.341 685 HG2 LYS 86 2HG LYS 86 -2.771 -17.119 3.331 686 HG3 LYS 86 1HG LYS 86 -1.858 -17.615 1.909 687 HD2 LYS 86 2HD LYS 86 -2.110 -19.555 3.329 688 HD3 LYS 86 1HD LYS 86 -0.426 -19.043 3.407 689 HE2 LYS 86 2HE LYS 86 -1.584 -19.609 5.639 690 HE3 LYS 86 1HE LYS 86 -0.697 -18.089 5.562 691 HZ1 LYS 86 3HZ LYS 86 -2.576 -16.881 5.675 692 HZ2 LYS 86 1HZ LYS 86 -3.206 -18.279 6.401 693 HZ3 LYS 86 2HZ LYS 86 -3.484 -17.982 4.753 694 H LYS 87 H LYS 87 -3.486 -15.366 1.693 695 HA LYS 87 HA LYS 87 -4.768 -13.109 2.654 696 HB2 LYS 87 2HB LYS 87 -5.845 -15.943 2.655 697 HB3 LYS 87 1HB LYS 87 -6.835 -14.496 2.842 698 HG2 LYS 87 2HG LYS 87 -5.941 -13.678 0.641 699 HG3 LYS 87 1HG LYS 87 -5.137 -15.237 0.444 700 HD2 LYS 87 2HD LYS 87 -7.355 -16.360 0.685 701 HD3 LYS 87 1HD LYS 87 -8.116 -14.771 0.739 702 HE2 LYS 87 2HE LYS 87 -8.154 -14.746 -1.512 703 HE3 LYS 87 1HE LYS 87 -6.390 -14.768 -1.513 704 HZ1 LYS 87 3HZ LYS 87 -8.265 -16.915 -1.999 705 HZ2 LYS 87 1HZ LYS 87 -6.967 -17.330 -0.989 706 HZ3 LYS 87 2HZ LYS 87 -6.670 -16.718 -2.547 707 H GLU 88 H GLU 88 -5.213 -12.293 4.645 708 HA GLU 88 HA GLU 88 -5.678 -13.915 6.979 709 HB2 GLU 88 2HB GLU 88 -3.190 -14.201 6.681 710 HB3 GLU 88 1HB GLU 88 -3.017 -12.462 6.915 711 HG2 GLU 88 2HG GLU 88 -4.102 -12.672 9.139 712 HG3 GLU 88 1HG GLU 88 -4.205 -14.417 8.908 713 H LYS 89 H LYS 89 -6.084 -12.547 8.889 714 HA LYS 89 HA LYS 89 -7.474 -10.156 8.311 715 HB2 LYS 89 2HB LYS 89 -6.164 -11.033 10.904 716 HB3 LYS 89 1HB LYS 89 -7.328 -9.715 10.764 717 HG2 LYS 89 2HG LYS 89 -8.976 -11.328 9.802 718 HG3 LYS 89 1HG LYS 89 -7.822 -12.631 10.090 719 HD2 LYS 89 2HD LYS 89 -7.807 -12.027 12.515 720 HD3 LYS 89 1HD LYS 89 -9.060 -10.829 12.191 721 HE2 LYS 89 2HE LYS 89 -10.636 -12.426 12.333 722 HE3 LYS 89 1HE LYS 89 -9.873 -13.302 11.007 723 HZ1 LYS 89 3HZ LYS 89 -8.328 -13.663 13.312 724 HZ2 LYS 89 1HZ LYS 89 -9.202 -14.827 12.441 725 HZ3 LYS 89 2HZ LYS 89 -9.946 -13.986 13.717 726 H ASP 90 H ASP 90 -4.068 -10.699 9.066 727 HA ASP 90 HA ASP 90 -3.281 -8.053 9.656 728 HB2 ASP 90 2HB ASP 90 -1.812 -10.248 8.161 729 HB3 ASP 90 1HB ASP 90 -1.056 -8.753 8.708 730 H ARG 91 H ARG 91 -3.729 -9.660 6.507 731 HA ARG 91 HA ARG 91 -2.785 -7.507 4.891 732 HB2 ARG 91 2HB ARG 91 -3.277 -9.814 4.051 733 HB3 ARG 91 1HB ARG 91 -4.998 -9.476 4.230 734 HG2 ARG 91 2HG ARG 91 -4.716 -7.511 2.699 735 HG3 ARG 91 1HG ARG 91 -3.045 -8.012 2.433 736 HD2 ARG 91 2HD ARG 91 -5.509 -9.678 1.835 737 HD3 ARG 91 1HD ARG 91 -4.493 -8.872 0.639 738 HE ARG 91 HE ARG 91 -2.787 -10.527 2.154 739 HH11 ARG 91 1HH2 ARG 91 -5.541 -10.757 0.093 740 HH12 ARG 91 2HH2 ARG 91 -5.137 -12.338 -0.490 741 HH21 ARG 91 1HH1 ARG 91 -2.248 -12.590 1.407 742 HH22 ARG 91 2HH1 ARG 91 -3.272 -13.374 0.253 743 H ASN 92 H ASN 92 -6.073 -8.280 6.068 744 HA ASN 92 HA ASN 92 -7.301 -5.983 4.851 745 HB2 ASN 92 2HB ASN 92 -8.124 -7.690 7.214 746 HB3 ASN 92 1HB ASN 92 -9.140 -6.441 6.501 747 HD21 ASN 92 1HD2 ASN 92 -10.085 -9.073 6.432 748 HD22 ASN 92 2HD2 ASN 92 -10.017 -9.666 4.844 749 H ASP 93 H ASP 93 -5.910 -6.563 8.080 750 HA ASP 93 HA ASP 93 -6.672 -4.061 9.213 751 HB2 ASP 93 2HB ASP 93 -4.307 -5.865 9.793 752 HB3 ASP 93 1HB ASP 93 -4.777 -4.492 10.791 753 H LEU 94 H LEU 94 -3.806 -5.041 7.344 754 HA LEU 94 HA LEU 94 -2.317 -2.646 7.646 755 HB2 LEU 94 2HB LEU 94 -1.443 -4.724 6.583 756 HB3 LEU 94 1HB LEU 94 -2.477 -4.419 5.189 757 HG LEU 94 HG LEU 94 -1.349 -2.222 4.869 758 HD11 LEU 94 1HD1 LEU 94 -0.374 -1.455 6.781 759 HD12 LEU 94 2HD1 LEU 94 1.016 -2.383 6.219 760 HD13 LEU 94 3HD1 LEU 94 -0.087 -3.078 7.406 761 HD21 LEU 94 3HD2 LEU 94 1.067 -3.685 4.744 762 HD22 LEU 94 1HD2 LEU 94 -0.102 -3.447 3.445 763 HD23 LEU 94 2HD2 LEU 94 -0.225 -4.859 4.496 764 H ILE 95 H ILE 95 -4.798 -3.508 5.226 765 HA ILE 95 HA ILE 95 -4.653 -1.002 3.821 766 HB ILE 95 HB ILE 95 -6.973 -2.928 4.068 767 HG12 ILE 95 2HG1 ILE 95 -4.827 -2.738 1.933 768 HG13 ILE 95 1HG1 ILE 95 -4.822 -3.928 3.234 769 HG21 ILE 95 1HG2 ILE 95 -7.799 -0.890 3.167 770 HG22 ILE 95 2HG2 ILE 95 -7.478 -1.908 1.762 771 HG23 ILE 95 3HG2 ILE 95 -6.341 -0.637 2.208 772 HD11 ILE 95 3HD1 ILE 95 -6.881 -4.906 2.455 773 HD12 ILE 95 1HD1 ILE 95 -5.818 -4.753 1.056 774 HD13 ILE 95 2HD1 ILE 95 -7.127 -3.596 1.298 775 H THR 96 H THR 96 -6.628 -2.199 6.491 776 HA THR 96 HA THR 96 -8.399 -0.024 6.760 777 HB THR 96 HB THR 96 -7.229 -1.592 9.064 778 HG1 THR 96 1HG THR 96 -7.906 -3.201 7.854 779 HG21 THR 96 3HG2 THR 96 -9.527 -1.278 9.968 780 HG22 THR 96 1HG2 THR 96 -9.926 -0.311 8.548 781 HG23 THR 96 2HG2 THR 96 -8.703 0.256 9.685 782 H TYR 97 H TYR 97 -5.112 -0.482 8.065 783 HA TYR 97 HA TYR 97 -5.053 1.832 9.716 784 HB2 TYR 97 2HB TYR 97 -3.312 0.049 9.730 785 HB3 TYR 97 1HB TYR 97 -2.746 0.625 8.163 786 HD1 TYR 97 1HD TYR 97 -3.234 1.607 11.721 787 HD2 TYR 97 2HD TYR 97 -1.349 2.544 7.977 788 HE1 TYR 97 1HE TYR 97 -1.854 3.332 12.848 789 HE2 TYR 97 2HE TYR 97 0.029 4.271 9.102 790 HH TYR 97 HH TYR 97 0.759 4.457 11.969 791 H LEU 98 H LEU 98 -3.954 1.466 6.314 792 HA LEU 98 HA LEU 98 -3.395 4.278 5.993 793 HB2 LEU 98 2HB LEU 98 -4.048 2.144 3.934 794 HB3 LEU 98 1HB LEU 98 -3.445 3.757 3.550 795 HG LEU 98 HG LEU 98 -2.004 1.721 5.275 796 HD11 LEU 98 1HD1 LEU 98 -0.449 2.294 3.057 797 HD12 LEU 98 2HD1 LEU 98 -2.080 2.237 2.386 798 HD13 LEU 98 3HD1 LEU 98 -1.437 0.846 3.260 799 HD21 LEU 98 3HD2 LEU 98 -1.173 3.741 6.043 800 HD22 LEU 98 1HD2 LEU 98 -1.539 4.581 4.537 801 HD23 LEU 98 2HD2 LEU 98 -0.134 3.520 4.636 802 H LYS 99 H LYS 99 -6.214 2.245 5.521 803 HA LYS 99 HA LYS 99 -7.890 4.061 4.143 804 HB2 LYS 99 2HB LYS 99 -8.355 1.617 4.677 805 HB3 LYS 99 1HB LYS 99 -8.765 2.138 6.310 806 HG2 LYS 99 2HG LYS 99 -10.470 3.676 5.351 807 HG3 LYS 99 1HG LYS 99 -10.114 3.019 3.756 808 HD2 LYS 99 2HD LYS 99 -10.728 0.760 4.555 809 HD3 LYS 99 1HD LYS 99 -11.129 1.439 6.133 810 HE2 LYS 99 2HE LYS 99 -12.895 2.786 5.181 811 HE3 LYS 99 1HE LYS 99 -12.419 2.338 3.544 812 HZ1 LYS 99 3HZ LYS 99 -12.969 0.043 4.047 813 HZ2 LYS 99 1HZ LYS 99 -14.313 1.045 4.300 814 HZ3 LYS 99 2HZ LYS 99 -13.420 0.472 5.627 815 H LYS 100 H LYS 100 -7.289 3.640 7.626 816 HA LYS 100 HA LYS 100 -9.182 5.541 8.574 817 HB2 LYS 100 2HB LYS 100 -7.942 3.899 9.994 818 HB3 LYS 100 1HB LYS 100 -6.482 4.861 9.771 819 HG2 LYS 100 2HG LYS 100 -7.671 6.823 10.753 820 HG3 LYS 100 1HG LYS 100 -9.062 5.783 11.066 821 HD2 LYS 100 2HD LYS 100 -7.516 4.268 12.370 822 HD3 LYS 100 1HD LYS 100 -6.276 5.509 12.214 823 HE2 LYS 100 2HE LYS 100 -7.264 6.017 14.289 824 HE3 LYS 100 1HE LYS 100 -8.085 7.116 13.180 825 HZ1 LYS 100 3HZ LYS 100 -9.201 5.106 14.785 826 HZ2 LYS 100 1HZ LYS 100 -9.460 4.688 13.162 827 HZ3 LYS 100 2HZ LYS 100 -9.995 6.191 13.746 828 H ALA 101 H ALA 101 -5.819 5.913 7.521 829 HA ALA 101 HA ALA 101 -5.426 8.609 8.276 830 HB1 ALA 101 1HB ALA 101 -4.318 7.880 5.639 831 HB2 ALA 101 2HB ALA 101 -3.936 6.742 6.931 832 HB3 ALA 101 3HB ALA 101 -3.490 8.440 7.092 833 H THR 102 H THR 102 -7.106 7.239 5.480 834 HA THR 102 HA THR 102 -7.444 9.758 4.104 835 HB THR 102 HB THR 102 -9.111 8.565 2.765 836 HG1 THR 102 1HG THR 102 -9.669 6.438 3.392 837 HG21 THR 102 3HG2 THR 102 -6.439 7.575 3.316 838 HG22 THR 102 1HG2 THR 102 -7.273 7.732 1.772 839 HG23 THR 102 2HG2 THR 102 -7.498 6.282 2.753 840 H GLU 103 H GLU 103 -9.016 8.243 6.795 841 HA GLU 103 HA GLU 103 -11.593 9.331 6.738 842 HB2 GLU 103 2HB GLU 103 -10.683 7.810 8.516 843 HB3 GLU 103 1HB GLU 103 -9.811 9.189 9.188 844 HG2 GLU 103 2HG GLU 103 -11.980 10.392 9.443 845 HG3 GLU 103 1HG GLU 103 -12.817 8.949 8.873 846 HHA HEC 201 HA HEC 104 4.540 3.374 -5.457 847 HHB HEC 201 HB HEC 104 1.188 0.200 -1.147 848 HHC HEC 201 HC HEC 104 6.432 -0.702 2.264 849 HHD HEC 201 HD HEC 104 9.813 2.333 -2.137 850 HMA1 HEC 201 1HMA HEC 104 -0.249 2.457 -3.845 851 HMA2 HEC 201 2HMA HEC 104 -0.079 1.961 -2.163 852 HMA3 HEC 201 3HMA HEC 104 -0.252 0.745 -3.425 853 HAA1 HEC 201 1HAA HEC 104 2.506 1.943 -6.392 854 HAA2 HEC 201 2HAA HEC 104 0.882 2.265 -5.807 855 HBA1 HEC 201 1HBA HEC 104 2.652 4.096 -7.003 856 HBA2 HEC 201 2HBA HEC 104 2.591 4.541 -5.298 857 HMB1 HEC 201 1HMB HEC 104 1.162 -1.813 -0.101 858 HMB2 HEC 201 2HMB HEC 104 1.710 -2.524 1.408 859 HMB3 HEC 201 3HMB HEC 104 0.695 -1.082 1.432 860 HAB HEC 201 HAB HEC 104 4.755 -1.619 3.392 861 HBB1 HEC 201 1HBB HEC 104 1.737 -1.407 3.395 862 HBB2 HEC 201 2HBB HEC 104 2.708 -1.872 4.782 863 HBB3 HEC 201 3HBB HEC 104 2.694 -2.890 3.349 864 HMC1 HEC 201 1HMC HEC 104 8.992 -1.719 1.689 865 HMC2 HEC 201 2HMC HEC 104 8.732 -0.563 2.996 866 HMC3 HEC 201 3HMC HEC 104 10.256 -0.560 2.106 867 HAC HEC 201 HAC HEC 104 10.874 2.402 -0.201 868 HBC1 HEC 201 1HBC HEC 104 12.278 0.225 1.071 869 HBC2 HEC 201 2HBC HEC 104 11.372 -0.375 -0.318 870 HBC3 HEC 201 3HBC HEC 104 12.544 0.928 -0.525 871 HMD1 HEC 201 1HMD HEC 104 10.097 2.287 -4.724 872 HMD2 HEC 201 2HMD HEC 104 10.274 3.932 -4.116 873 HMD3 HEC 201 3HMD HEC 104 9.622 3.655 -5.731 874 HAD1 HEC 201 1HAD HEC 104 7.794 5.270 -5.795 875 HAD2 HEC 201 2HAD HEC 104 6.062 4.999 -5.842 876 HBD1 HEC 201 1HBD HEC 104 7.793 4.508 -7.917 877 HBD2 HEC 201 2HBD HEC 104 7.603 2.907 -7.202
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