NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
471157 | 2kxy | 16927 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 LYS 1 1HT LYS 1 34.727 4.276 -3.217 2 H2 LYS 1 2HT LYS 1 35.665 3.649 -4.486 3 H3 LYS 1 3HT LYS 1 36.031 3.247 -2.875 4 HA LYS 1 HA LYS 1 33.725 2.363 -4.514 5 HB2 LYS 1 2HB LYS 1 35.820 0.928 -2.857 6 HB3 LYS 1 1HB LYS 1 34.527 0.129 -3.755 7 HG2 LYS 1 2HG LYS 1 35.409 1.170 -5.866 8 HG3 LYS 1 1HG LYS 1 36.762 1.824 -4.942 9 HD2 LYS 1 2HD LYS 1 36.094 -1.135 -5.211 10 HD3 LYS 1 1HD LYS 1 37.347 -0.300 -6.121 11 HE2 LYS 1 2HE LYS 1 38.378 0.338 -3.831 12 HE3 LYS 1 1HE LYS 1 37.301 -0.881 -3.141 13 HZ1 LYS 1 2HZ LYS 1 39.559 -1.224 -4.971 14 HZ2 LYS 1 3HZ LYS 1 38.265 -2.324 -5.057 15 HZ3 LYS 1 1HZ LYS 1 39.118 -2.131 -3.604 16 H ILE 2 H ILE 2 33.963 4.114 -1.931 17 HA ILE 2 HA ILE 2 32.840 4.369 0.046 18 HB ILE 2 HB ILE 2 30.887 2.314 -1.061 19 HG12 ILE 2 2HG1 ILE 2 31.289 3.868 -2.887 20 HG13 ILE 2 1HG1 ILE 2 29.737 4.274 -2.162 21 HG21 ILE 2 1HG2 ILE 2 29.228 3.655 0.171 22 HG22 ILE 2 2HG2 ILE 2 30.500 4.753 0.709 23 HG23 ILE 2 3HG2 ILE 2 30.495 3.077 1.251 24 HD11 ILE 2 3HD1 ILE 2 32.365 5.749 -1.933 25 HD12 ILE 2 1HD1 ILE 2 31.067 6.033 -0.767 26 HD13 ILE 2 2HD1 ILE 2 30.806 6.357 -2.479 27 H SER 3 H SER 3 34.269 3.508 1.528 28 HA SER 3 HA SER 3 34.780 0.773 1.968 29 HB2 SER 3 2HB SER 3 36.238 2.570 2.794 30 HB3 SER 3 1HB SER 3 34.976 3.084 3.912 31 HG SER 3 HG SER 3 35.089 0.831 4.694 32 H LEU 4 H LEU 4 32.464 2.982 3.419 33 HA LEU 4 HA LEU 4 31.429 1.168 5.372 34 HB2 LEU 4 2HB LEU 4 30.412 3.739 4.125 35 HB3 LEU 4 1HB LEU 4 29.383 2.829 5.231 36 HG LEU 4 HG LEU 4 31.074 3.003 7.003 37 HD11 LEU 4 1HD1 LEU 4 32.732 4.379 4.864 38 HD12 LEU 4 2HD1 LEU 4 33.152 2.973 5.848 39 HD13 LEU 4 3HD1 LEU 4 33.071 4.572 6.587 40 HD21 LEU 4 3HD2 LEU 4 30.922 5.442 7.383 41 HD22 LEU 4 1HD2 LEU 4 29.399 4.809 6.755 42 HD23 LEU 4 2HD2 LEU 4 30.500 5.682 5.687 43 H ARG 5 H ARG 5 29.590 -0.069 5.341 44 HA ARG 5 HA ARG 5 28.401 -0.774 2.687 45 HB2 ARG 5 2HB ARG 5 29.230 -2.614 4.958 46 HB3 ARG 5 1HB ARG 5 28.470 -3.116 3.444 47 HG2 ARG 5 2HG ARG 5 30.397 -2.277 2.166 48 HG3 ARG 5 1HG ARG 5 31.154 -1.685 3.645 49 HD2 ARG 5 2HD ARG 5 32.135 -3.824 3.028 50 HD3 ARG 5 1HD ARG 5 31.218 -3.999 4.523 51 HE ARG 5 HE ARG 5 29.544 -4.592 2.300 52 HH11 ARG 5 1HH2 ARG 5 32.234 -5.861 4.094 53 HH12 ARG 5 2HH2 ARG 5 31.864 -7.514 3.732 54 HH21 ARG 5 1HH1 ARG 5 29.064 -6.755 1.837 55 HH22 ARG 5 2HH1 ARG 5 30.073 -8.018 2.458 56 H LYS 6 H LYS 6 27.332 1.058 4.661 57 HA LYS 6 HA LYS 6 24.823 -0.391 5.385 58 HB2 LYS 6 2HB LYS 6 26.341 1.598 7.119 59 HB3 LYS 6 1HB LYS 6 24.734 0.955 7.473 60 HG2 LYS 6 2HG LYS 6 25.667 -1.343 7.497 61 HG3 LYS 6 1HG LYS 6 27.275 -0.684 7.189 62 HD2 LYS 6 2HD LYS 6 27.174 0.589 9.298 63 HD3 LYS 6 1HD LYS 6 25.553 -0.037 9.607 64 HE2 LYS 6 2HE LYS 6 27.239 -1.336 10.852 65 HE3 LYS 6 1HE LYS 6 26.450 -2.342 9.637 66 HZ1 LYS 6 3HZ LYS 6 28.992 -2.389 9.802 67 HZ2 LYS 6 1HZ LYS 6 28.941 -0.891 9.010 68 HZ3 LYS 6 2HZ LYS 6 28.289 -2.271 8.260 69 H LEU 7 H LEU 7 23.054 0.634 4.724 70 HA LEU 7 HA LEU 7 22.839 3.469 4.525 71 HB2 LEU 7 2HB LEU 7 24.141 2.607 2.389 72 HB3 LEU 7 1HB LEU 7 22.578 1.984 1.882 73 HG LEU 7 HG LEU 7 21.741 4.495 2.426 74 HD11 LEU 7 1HD1 LEU 7 23.459 6.183 2.003 75 HD12 LEU 7 2HD1 LEU 7 24.688 4.935 1.797 76 HD13 LEU 7 3HD1 LEU 7 23.955 5.199 3.375 77 HD21 LEU 7 3HD2 LEU 7 21.674 3.487 0.182 78 HD22 LEU 7 1HD2 LEU 7 23.393 3.822 -0.032 79 HD23 LEU 7 2HD2 LEU 7 22.239 5.154 0.090 80 H SER 8 H SER 8 20.733 4.146 4.095 81 HA SER 8 HA SER 8 18.632 2.097 3.832 82 HB2 SER 8 2HB SER 8 17.452 2.881 5.812 83 HB3 SER 8 1HB SER 8 19.071 2.382 6.280 84 HG SER 8 HG SER 8 17.907 4.733 6.617 85 H LYS 9 H LYS 9 16.717 2.887 3.052 86 HA LYS 9 HA LYS 9 16.433 5.731 2.397 87 HB2 LYS 9 2HB LYS 9 16.437 3.490 0.343 88 HB3 LYS 9 1HB LYS 9 15.831 5.109 0.003 89 HG2 LYS 9 2HG LYS 9 18.694 4.552 0.873 90 HG3 LYS 9 1HG LYS 9 18.198 4.664 -0.803 91 HD2 LYS 9 2HD LYS 9 17.455 6.982 -0.463 92 HD3 LYS 9 1HD LYS 9 17.905 6.906 1.230 93 HE2 LYS 9 2HE LYS 9 20.246 6.517 0.625 94 HE3 LYS 9 1HE LYS 9 19.817 6.584 -1.087 95 HZ1 LYS 9 3HZ LYS 9 18.774 8.840 -0.415 96 HZ2 LYS 9 1HZ LYS 9 20.448 8.739 -0.666 97 HZ3 LYS 9 2HZ LYS 9 19.827 8.740 0.914 98 H SER 10 H SER 10 14.365 6.186 1.441 99 HA SER 10 HA SER 10 12.205 4.493 2.663 100 HB2 SER 10 2HB SER 10 12.279 6.654 3.733 101 HB3 SER 10 1HB SER 10 12.388 7.478 2.177 102 HG SER 10 HG SER 10 10.215 6.415 3.491 103 H VAL 11 H VAL 11 10.634 3.777 1.391 104 HA VAL 11 HA VAL 11 10.400 4.744 -1.418 105 HB VAL 11 HB VAL 11 9.803 2.252 -1.916 106 HG11 VAL 11 1HG1 VAL 11 12.666 3.036 -1.250 107 HG12 VAL 11 2HG1 VAL 11 11.834 3.370 -2.771 108 HG13 VAL 11 3HG1 VAL 11 12.182 1.713 -2.314 109 HG21 VAL 11 3HG2 VAL 11 10.916 0.611 -0.477 110 HG22 VAL 11 1HG2 VAL 11 9.758 1.510 0.492 111 HG23 VAL 11 2HG2 VAL 11 11.477 1.878 0.610 112 HA PRO 12 HA PRO 12 6.261 5.312 0.562 113 HB2 PRO 12 2HB PRO 12 5.743 6.569 -2.154 114 HB3 PRO 12 1HB PRO 12 5.322 7.194 -0.541 115 HG2 PRO 12 2HG PRO 12 7.374 8.231 -1.904 116 HG3 PRO 12 1HG PRO 12 7.494 7.974 -0.154 117 HD2 PRO 12 2HD PRO 12 8.707 6.315 -2.377 118 HD3 PRO 12 1HD PRO 12 9.388 6.759 -0.790 119 H VAL 13 H VAL 13 4.393 4.122 0.327 120 HA VAL 13 HA VAL 13 4.397 1.965 -1.674 121 HB VAL 13 HB VAL 13 2.598 1.015 -0.326 122 HG11 VAL 13 1HG1 VAL 13 3.824 0.731 1.793 123 HG12 VAL 13 2HG1 VAL 13 4.841 2.111 1.395 124 HG13 VAL 13 3HG1 VAL 13 4.915 0.648 0.412 125 HG21 VAL 13 3HG2 VAL 13 1.314 2.966 0.339 126 HG22 VAL 13 1HG2 VAL 13 2.703 3.664 1.170 127 HG23 VAL 13 2HG2 VAL 13 1.911 2.232 1.823 128 H LYS 14 H LYS 14 2.934 1.760 -3.278 129 HA LYS 14 HA LYS 14 0.907 3.937 -3.675 130 HB2 LYS 14 2HB LYS 14 2.513 2.378 -5.733 131 HB3 LYS 14 1HB LYS 14 1.244 3.554 -6.086 132 HG2 LYS 14 2HG LYS 14 2.529 5.342 -5.006 133 HG3 LYS 14 1HG LYS 14 3.768 4.192 -4.508 134 HD2 LYS 14 2HD LYS 14 4.529 5.411 -6.493 135 HD3 LYS 14 1HD LYS 14 4.280 3.716 -6.892 136 HE2 LYS 14 2HE LYS 14 2.269 4.199 -8.111 137 HE3 LYS 14 1HE LYS 14 2.125 5.807 -7.389 138 HZ1 LYS 14 3HZ LYS 14 3.858 4.867 -9.541 139 HZ2 LYS 14 1HZ LYS 14 4.483 6.051 -8.500 140 HZ3 LYS 14 2HZ LYS 14 3.048 6.349 -9.360 141 H LEU 15 H LEU 15 -1.070 3.147 -3.375 142 HA LEU 15 HA LEU 15 -1.615 0.271 -3.715 143 HB2 LEU 15 2HB LEU 15 -3.114 2.614 -2.513 144 HB3 LEU 15 1HB LEU 15 -3.976 1.122 -2.893 145 HG LEU 15 HG LEU 15 -2.378 -0.141 -1.448 146 HD11 LEU 15 1HD1 LEU 15 -0.384 1.204 -1.549 147 HD12 LEU 15 2HD1 LEU 15 -0.920 1.248 0.123 148 HD13 LEU 15 3HD1 LEU 15 -1.223 2.629 -0.935 149 HD21 LEU 15 3HD2 LEU 15 -3.715 2.227 -0.099 150 HD22 LEU 15 1HD2 LEU 15 -3.221 0.734 0.700 151 HD23 LEU 15 2HD2 LEU 15 -4.496 0.698 -0.518 152 H GLU 16 H GLU 16 -2.733 -0.573 -5.350 153 HA GLU 16 HA GLU 16 -3.955 1.239 -7.376 154 HB2 GLU 16 2HB GLU 16 -1.779 0.128 -8.105 155 HB3 GLU 16 1HB GLU 16 -2.586 -1.429 -7.933 156 HG2 GLU 16 2HG GLU 16 -2.710 -0.743 -10.271 157 HG3 GLU 16 1HG GLU 16 -4.328 -0.649 -9.584 158 H LEU 17 H LEU 17 -6.060 1.001 -7.354 159 HA LEU 17 HA LEU 17 -7.446 -1.120 -6.068 160 HB2 LEU 17 2HB LEU 17 -8.488 0.833 -8.160 161 HB3 LEU 17 1HB LEU 17 -9.439 -0.037 -6.957 162 HG LEU 17 HG LEU 17 -7.335 2.086 -6.363 163 HD11 LEU 17 1HD1 LEU 17 -9.273 3.451 -5.665 164 HD12 LEU 17 2HD1 LEU 17 -10.362 2.150 -6.142 165 HD13 LEU 17 3HD1 LEU 17 -9.404 2.989 -7.363 166 HD21 LEU 17 3HD2 LEU 17 -8.450 1.910 -4.001 167 HD22 LEU 17 1HD2 LEU 17 -7.310 0.654 -4.464 168 HD23 LEU 17 2HD2 LEU 17 -9.043 0.339 -4.547 169 H THR 18 H THR 18 -7.907 -3.090 -6.811 170 HA THR 18 HA THR 18 -7.933 -3.624 -9.750 171 HB THR 18 HB THR 18 -6.877 -5.501 -7.601 172 HG1 THR 18 1HG THR 18 -4.849 -4.956 -8.492 173 HG21 THR 18 3HG2 THR 18 -5.986 -6.744 -9.548 174 HG22 THR 18 1HG2 THR 18 -6.757 -5.587 -10.631 175 HG23 THR 18 2HG2 THR 18 -7.743 -6.636 -9.612 176 H GLY 19 H GLY 19 -9.631 -4.697 -10.442 177 HA2 GLY 19 2HA GLY 19 -11.310 -6.448 -10.193 178 HA3 GLY 19 1HA GLY 19 -11.538 -5.970 -8.514 179 H ASP 20 H ASP 20 -13.693 -6.164 -10.146 180 HA ASP 20 HA ASP 20 -14.420 -3.570 -11.274 181 HB2 ASP 20 2HB ASP 20 -16.045 -6.080 -10.754 182 HB3 ASP 20 1HB ASP 20 -16.598 -4.675 -11.664 183 H LYS 21 H LYS 21 -15.654 -2.032 -10.286 184 HA LYS 21 HA LYS 21 -15.857 -1.985 -7.440 185 HB2 LYS 21 2HB LYS 21 -17.146 -0.237 -9.567 186 HB3 LYS 21 1HB LYS 21 -17.134 0.129 -7.840 187 HG2 LYS 21 2HG LYS 21 -14.667 0.153 -7.856 188 HG3 LYS 21 1HG LYS 21 -14.666 -0.221 -9.580 189 HD2 LYS 21 2HD LYS 21 -15.886 1.888 -10.031 190 HD3 LYS 21 1HD LYS 21 -15.863 2.264 -8.308 191 HE2 LYS 21 2HE LYS 21 -13.419 1.901 -10.072 192 HE3 LYS 21 1HE LYS 21 -14.034 3.439 -9.467 193 HZ1 LYS 21 3HZ LYS 21 -12.468 1.442 -8.127 194 HZ2 LYS 21 1HZ LYS 21 -13.829 1.915 -7.232 195 HZ3 LYS 21 2HZ LYS 21 -12.700 3.081 -7.737 196 H ALA 22 H ALA 22 -17.577 -2.386 -6.116 197 HA ALA 22 HA ALA 22 -19.626 -4.164 -6.975 198 HB1 ALA 22 1HB ALA 22 -20.577 -3.459 -4.594 199 HB2 ALA 22 2HB ALA 22 -19.038 -2.611 -4.454 200 HB3 ALA 22 3HB ALA 22 -19.057 -4.354 -4.684 201 H SER 23 H SER 23 -21.792 -3.831 -7.381 202 HA SER 23 HA SER 23 -22.552 -1.361 -8.597 203 HB2 SER 23 2HB SER 23 -24.746 -2.452 -8.880 204 HB3 SER 23 1HB SER 23 -23.432 -3.530 -9.340 205 HG SER 23 HG SER 23 -25.310 -3.896 -7.497 206 H ASN 24 H ASN 24 -22.862 -2.632 -5.363 207 HA ASN 24 HA ASN 24 -24.928 -0.691 -4.567 208 HB2 ASN 24 2HB ASN 24 -24.769 -1.836 -2.364 209 HB3 ASN 24 1HB ASN 24 -25.105 -2.957 -3.682 210 HD21 ASN 24 1HD2 ASN 24 -22.747 -2.070 -1.236 211 HD22 ASN 24 2HD2 ASN 24 -21.656 -3.327 -1.572 212 H VAL 25 H VAL 25 -21.717 -0.464 -5.105 213 HA VAL 25 HA VAL 25 -21.227 1.482 -2.874 214 HB VAL 25 HB VAL 25 -19.206 -0.170 -4.431 215 HG11 VAL 25 1HG1 VAL 25 -18.265 1.980 -3.683 216 HG12 VAL 25 2HG1 VAL 25 -17.628 0.675 -2.700 217 HG13 VAL 25 3HG1 VAL 25 -18.901 1.709 -2.059 218 HG21 VAL 25 3HG2 VAL 25 -20.204 -0.426 -1.571 219 HG22 VAL 25 1HG2 VAL 25 -18.914 -1.387 -2.296 220 HG23 VAL 25 2HG2 VAL 25 -20.566 -1.544 -2.882 221 H SER 26 H SER 26 -21.040 3.522 -3.497 222 HA SER 26 HA SER 26 -21.114 4.320 -6.274 223 HB2 SER 26 2HB SER 26 -22.265 5.579 -4.495 224 HB3 SER 26 1HB SER 26 -20.715 5.955 -3.752 225 HG SER 26 HG SER 26 -20.481 7.480 -5.166 226 H SER 27 H SER 27 -18.753 4.426 -3.641 227 HA SER 27 HA SER 27 -16.501 4.289 -5.445 228 HB2 SER 27 2HB SER 27 -17.056 6.692 -5.632 229 HB3 SER 27 1HB SER 27 -16.941 6.854 -3.882 230 HG SER 27 HG SER 27 -14.880 6.012 -5.654 231 H ILE 28 H ILE 28 -14.457 4.256 -4.300 232 HA ILE 28 HA ILE 28 -14.628 3.547 -1.400 233 HB ILE 28 HB ILE 28 -13.025 2.049 -3.515 234 HG12 ILE 28 2HG1 ILE 28 -15.422 1.108 -1.875 235 HG13 ILE 28 1HG1 ILE 28 -15.550 1.653 -3.545 236 HG21 ILE 28 1HG2 ILE 28 -11.876 2.057 -1.331 237 HG22 ILE 28 2HG2 ILE 28 -12.577 0.470 -1.586 238 HG23 ILE 28 3HG2 ILE 28 -13.375 1.616 -0.514 239 HD11 ILE 28 3HD1 ILE 28 -13.928 -0.710 -2.563 240 HD12 ILE 28 1HD1 ILE 28 -13.952 -0.113 -4.224 241 HD13 ILE 28 2HD1 ILE 28 -15.419 -0.768 -3.504 242 H SER 29 H SER 29 -12.903 4.083 -0.186 243 HA SER 29 HA SER 29 -10.637 5.587 -1.423 244 HB2 SER 29 2HB SER 29 -12.288 7.201 -0.515 245 HB3 SER 29 1HB SER 29 -12.198 6.404 1.053 246 HG SER 29 HG SER 29 -10.251 7.222 1.367 247 H TYR 30 H TYR 30 -8.784 5.732 -0.010 248 HA TYR 30 HA TYR 30 -8.617 3.778 2.192 249 HB2 TYR 30 2HB TYR 30 -6.614 2.734 1.201 250 HB3 TYR 30 1HB TYR 30 -8.033 2.494 0.184 251 HD1 TYR 30 1HD TYR 30 -4.831 4.339 0.515 252 HD2 TYR 30 2HD TYR 30 -8.263 3.644 -1.987 253 HE1 TYR 30 1HE TYR 30 -3.689 5.466 -1.372 254 HE2 TYR 30 2HE TYR 30 -7.115 4.768 -3.869 255 HH TYR 30 HH TYR 30 -4.794 5.273 -4.574 256 H SER 31 H SER 31 -6.812 4.075 3.526 257 HA SER 31 HA SER 31 -5.133 6.483 3.120 258 HB2 SER 31 2HB SER 31 -6.829 6.009 5.593 259 HB3 SER 31 1HB SER 31 -5.661 7.310 5.370 260 HG SER 31 HG SER 31 -7.090 7.573 3.310 261 H PHE 32 H PHE 32 -3.508 6.622 4.927 262 HA PHE 32 HA PHE 32 -2.740 4.032 6.127 263 HB2 PHE 32 2HB PHE 32 -0.409 4.323 5.177 264 HB3 PHE 32 1HB PHE 32 -1.633 3.918 3.974 265 HD1 PHE 32 2HD PHE 32 0.304 6.763 5.448 266 HD2 PHE 32 1HD PHE 32 -2.158 5.469 2.163 267 HE1 PHE 32 2HE PHE 32 0.853 8.835 4.213 268 HE2 PHE 32 1HE PHE 32 -1.607 7.543 0.939 269 HZ PHE 32 HZ PHE 32 -0.102 9.228 1.961 270 H ASP 33 H ASP 33 -1.394 4.251 7.897 271 HA ASP 33 HA ASP 33 -1.498 6.772 9.302 272 HB2 ASP 33 2HB ASP 33 -0.061 4.190 9.974 273 HB3 ASP 33 1HB ASP 33 -0.343 5.532 11.083 274 H ARG 34 H ARG 34 0.955 4.975 7.517 275 HA ARG 34 HA ARG 34 2.860 7.269 7.755 276 HB2 ARG 34 2HB ARG 34 3.552 4.312 7.912 277 HB3 ARG 34 1HB ARG 34 4.706 5.649 7.923 278 HG2 ARG 34 2HG ARG 34 3.680 6.516 10.003 279 HG3 ARG 34 1HG ARG 34 2.541 5.169 9.999 280 HD2 ARG 34 2HD ARG 34 5.561 4.865 10.118 281 HD3 ARG 34 1HD ARG 34 4.484 4.769 11.508 282 HE ARG 34 HE ARG 34 3.565 2.945 9.573 283 HH11 ARG 34 1HH2 ARG 34 6.288 3.479 11.668 284 HH12 ARG 34 2HH2 ARG 34 6.665 1.796 11.824 285 HH21 ARG 34 1HH1 ARG 34 4.070 0.746 9.782 286 HH22 ARG 34 2HH1 ARG 34 5.412 0.254 10.758 287 H GLY 35 H GLY 35 2.132 4.242 6.019 288 HA2 GLY 35 2HA GLY 35 2.272 3.702 3.787 289 HA3 GLY 35 1HA GLY 35 2.045 5.418 3.469 290 H HIS 36 H HIS 36 4.751 4.541 5.425 291 HA HIS 36 HA HIS 36 6.662 4.491 3.165 292 HB2 HIS 36 2HB HIS 36 6.747 6.446 5.497 293 HB3 HIS 36 1HB HIS 36 8.079 6.178 4.368 294 HD2 HIS 36 2HD HIS 36 7.977 7.850 2.222 295 HE1 HIS 36 1HE HIS 36 3.858 8.767 2.330 296 HE2 HIS 36 2HE HIS 36 6.043 9.215 1.114 297 H VAL 37 H VAL 37 8.345 3.184 3.559 298 HA VAL 37 HA VAL 37 8.854 2.164 6.308 299 HB VAL 37 HB VAL 37 7.506 0.478 5.201 300 HG11 VAL 37 1HG1 VAL 37 7.894 1.201 2.857 301 HG12 VAL 37 2HG1 VAL 37 8.169 -0.529 3.054 302 HG13 VAL 37 3HG1 VAL 37 9.538 0.571 2.951 303 HG21 VAL 37 3HG2 VAL 37 10.379 -0.499 4.990 304 HG22 VAL 37 1HG2 VAL 37 8.955 -1.410 5.470 305 HG23 VAL 37 2HG2 VAL 37 9.608 -0.189 6.547 306 H THR 38 H THR 38 10.944 1.185 6.492 307 HA THR 38 HA THR 38 12.981 2.599 4.853 308 HB THR 38 HB THR 38 13.297 1.189 7.543 309 HG1 THR 38 1HG THR 38 11.890 3.174 7.307 310 HG21 THR 38 3HG2 THR 38 15.397 1.447 6.273 311 HG22 THR 38 1HG2 THR 38 15.370 2.540 7.656 312 HG23 THR 38 2HG2 THR 38 15.048 3.160 6.039 313 H ILE 39 H ILE 39 14.367 1.477 3.631 314 HA ILE 39 HA ILE 39 14.382 -1.509 3.719 315 HB ILE 39 HB ILE 39 14.790 -1.419 1.284 316 HG12 ILE 39 2HG1 ILE 39 14.215 1.561 1.530 317 HG13 ILE 39 1HG1 ILE 39 15.818 0.907 1.247 318 HG21 ILE 39 1HG2 ILE 39 12.501 -0.835 0.634 319 HG22 ILE 39 2HG2 ILE 39 12.302 0.142 2.090 320 HG23 ILE 39 3HG2 ILE 39 12.460 -1.602 2.214 321 HD11 ILE 39 3HD1 ILE 39 14.871 1.605 -0.858 322 HD12 ILE 39 1HD1 ILE 39 13.420 0.653 -0.567 323 HD13 ILE 39 2HD1 ILE 39 14.960 -0.158 -0.841 324 H VAL 40 H VAL 40 16.346 -2.511 3.379 325 HA VAL 40 HA VAL 40 18.797 -0.797 3.414 326 HB VAL 40 HB VAL 40 18.311 -3.233 5.173 327 HG11 VAL 40 1HG1 VAL 40 20.463 -2.524 6.228 328 HG12 VAL 40 2HG1 VAL 40 20.630 -1.270 4.999 329 HG13 VAL 40 3HG1 VAL 40 20.680 -2.970 4.539 330 HG21 VAL 40 3HG2 VAL 40 18.333 -1.586 7.034 331 HG22 VAL 40 1HG2 VAL 40 16.987 -1.304 5.933 332 HG23 VAL 40 2HG2 VAL 40 18.416 -0.272 5.861 333 H GLY 41 H GLY 41 20.354 -1.467 2.092 334 HA2 GLY 41 2HA GLY 41 21.116 -4.023 1.375 335 HA3 GLY 41 1HA GLY 41 19.846 -3.615 0.225 336 H SER 42 H SER 42 21.508 -3.782 -1.396 337 HA SER 42 HA SER 42 23.740 -1.955 -1.480 338 HB2 SER 42 2HB SER 42 22.438 -3.572 -3.690 339 HB3 SER 42 1HB SER 42 24.003 -2.765 -3.789 340 HG SER 42 HG SER 42 23.212 -4.971 -2.212 341 H GLN 43 H GLN 43 23.979 -0.138 -2.867 342 HA GLN 43 HA GLN 43 21.735 1.581 -3.000 343 HB2 GLN 43 2HB GLN 43 24.104 2.354 -2.824 344 HB3 GLN 43 1HB GLN 43 24.385 1.796 -4.470 345 HG2 GLN 43 2HG GLN 43 23.959 4.206 -4.485 346 HG3 GLN 43 1HG GLN 43 22.625 3.389 -5.282 347 HE21 GLN 43 1HE2 GLN 43 20.567 3.985 -4.539 348 HE22 GLN 43 2HE2 GLN 43 20.257 4.717 -3.039 349 H GLU 44 H GLU 44 23.260 -0.562 -5.346 350 HA GLU 44 HA GLU 44 22.043 0.389 -7.694 351 HB2 GLU 44 2HB GLU 44 22.872 -2.444 -6.975 352 HB3 GLU 44 1HB GLU 44 22.509 -1.877 -8.606 353 HG2 GLU 44 2HG GLU 44 24.337 -0.227 -8.449 354 HG3 GLU 44 1HG GLU 44 24.704 -0.780 -6.816 355 H ALA 45 H ALA 45 20.951 -2.059 -5.359 356 HA ALA 45 HA ALA 45 18.597 -2.815 -6.747 357 HB1 ALA 45 1HB ALA 45 19.154 -2.890 -3.764 358 HB2 ALA 45 2HB ALA 45 19.628 -4.135 -4.920 359 HB3 ALA 45 3HB ALA 45 17.921 -3.815 -4.625 360 H MET 46 H MET 46 19.250 -0.328 -4.309 361 HA MET 46 HA MET 46 16.555 0.489 -3.892 362 HB2 MET 46 2HB MET 46 19.190 1.963 -3.536 363 HB3 MET 46 1HB MET 46 17.636 2.606 -3.002 364 HG2 MET 46 2HG MET 46 17.312 0.647 -1.545 365 HG3 MET 46 1HG MET 46 18.855 -0.017 -2.080 366 HE1 MET 46 3HE MET 46 19.855 -0.276 0.141 367 HE2 MET 46 1HE MET 46 18.368 0.258 0.934 368 HE3 MET 46 2HE MET 46 19.922 0.932 1.421 369 H ASP 47 H ASP 47 19.071 1.579 -6.163 370 HA ASP 47 HA ASP 47 17.645 3.787 -7.229 371 HB2 ASP 47 2HB ASP 47 19.797 2.032 -8.458 372 HB3 ASP 47 1HB ASP 47 19.252 3.564 -9.139 373 H LYS 48 H LYS 48 17.398 0.349 -7.739 374 HA LYS 48 HA LYS 48 16.036 0.528 -10.301 375 HB2 LYS 48 2HB LYS 48 17.461 -1.421 -9.648 376 HB3 LYS 48 1HB LYS 48 16.297 -1.807 -8.380 377 HG2 LYS 48 2HG LYS 48 14.531 -2.188 -10.040 378 HG3 LYS 48 1HG LYS 48 15.584 -1.627 -11.338 379 HD2 LYS 48 2HD LYS 48 15.512 -4.066 -11.355 380 HD3 LYS 48 1HD LYS 48 17.125 -3.534 -10.891 381 HE2 LYS 48 2HE LYS 48 16.750 -4.128 -8.585 382 HE3 LYS 48 1HE LYS 48 15.004 -4.273 -8.834 383 HZ1 LYS 48 3HZ LYS 48 16.605 -6.349 -8.838 384 HZ2 LYS 48 1HZ LYS 48 16.754 -5.936 -10.477 385 HZ3 LYS 48 2HZ LYS 48 15.224 -6.278 -9.824 386 H ILE 49 H ILE 49 15.187 0.201 -6.890 387 HA ILE 49 HA ILE 49 12.310 -0.103 -7.480 388 HB ILE 49 HB ILE 49 13.743 0.072 -4.787 389 HG12 ILE 49 2HG1 ILE 49 12.771 -2.429 -6.260 390 HG13 ILE 49 1HG1 ILE 49 14.450 -1.909 -6.249 391 HG21 ILE 49 1HG2 ILE 49 11.330 0.594 -4.665 392 HG22 ILE 49 2HG2 ILE 49 11.627 -0.985 -3.952 393 HG23 ILE 49 3HG2 ILE 49 10.954 -0.868 -5.575 394 HD11 ILE 49 3HD1 ILE 49 14.491 -2.062 -3.778 395 HD12 ILE 49 1HD1 ILE 49 14.085 -3.608 -4.521 396 HD13 ILE 49 2HD1 ILE 49 12.819 -2.625 -3.788 397 H ASP 50 H ASP 50 11.167 1.683 -7.863 398 HA ASP 50 HA ASP 50 12.002 4.320 -6.781 399 HB2 ASP 50 2HB ASP 50 9.968 3.588 -8.910 400 HB3 ASP 50 1HB ASP 50 10.450 5.222 -8.459 401 H SER 51 H SER 51 9.586 1.859 -6.550 402 HA SER 51 HA SER 51 8.437 2.932 -4.165 403 HB2 SER 51 2HB SER 51 6.192 3.437 -5.022 404 HB3 SER 51 1HB SER 51 7.375 4.469 -5.813 405 HG SER 51 HG SER 51 7.158 3.346 -7.641 406 H ILE 52 H ILE 52 6.638 1.573 -3.388 407 HA ILE 52 HA ILE 52 6.783 -1.222 -4.439 408 HB ILE 52 HB ILE 52 5.884 -0.234 -1.700 409 HG12 ILE 52 2HG1 ILE 52 8.242 0.323 -1.941 410 HG13 ILE 52 1HG1 ILE 52 8.107 -1.085 -0.898 411 HG21 ILE 52 1HG2 ILE 52 4.960 -2.422 -2.308 412 HG22 ILE 52 2HG2 ILE 52 6.206 -2.630 -1.079 413 HG23 ILE 52 3HG2 ILE 52 6.564 -3.004 -2.764 414 HD11 ILE 52 3HD1 ILE 52 9.886 -1.629 -2.332 415 HD12 ILE 52 1HD1 ILE 52 9.102 -0.922 -3.739 416 HD13 ILE 52 2HD1 ILE 52 8.534 -2.464 -3.097 417 H THR 53 H THR 53 5.059 -1.855 -5.547 418 HA THR 53 HA THR 53 2.532 -0.380 -5.453 419 HB THR 53 HB THR 53 3.277 -2.887 -7.015 420 HG1 THR 53 1HG THR 53 4.226 -0.451 -7.218 421 HG21 THR 53 3HG2 THR 53 1.107 -0.799 -7.421 422 HG22 THR 53 1HG2 THR 53 0.847 -2.460 -6.886 423 HG23 THR 53 2HG2 THR 53 1.452 -2.142 -8.510 424 H VAL 54 H VAL 54 0.786 -1.037 -4.215 425 HA VAL 54 HA VAL 54 0.834 -3.776 -3.039 426 HB VAL 54 HB VAL 54 -0.203 -1.231 -1.750 427 HG11 VAL 54 1HG1 VAL 54 0.197 -4.057 -0.692 428 HG12 VAL 54 2HG1 VAL 54 -1.353 -3.281 -1.016 429 HG13 VAL 54 3HG1 VAL 54 -0.321 -2.671 0.271 430 HG21 VAL 54 3HG2 VAL 54 2.253 -1.177 -1.925 431 HG22 VAL 54 1HG2 VAL 54 2.346 -2.802 -1.257 432 HG23 VAL 54 2HG2 VAL 54 1.769 -1.464 -0.261 433 HA PRO 55 HA PRO 55 -3.137 -3.133 -5.360 434 HB2 PRO 55 2HB PRO 55 -3.371 -5.561 -6.579 435 HB3 PRO 55 1HB PRO 55 -2.240 -4.329 -7.185 436 HG2 PRO 55 2HG PRO 55 -1.659 -6.742 -5.485 437 HG3 PRO 55 1HG PRO 55 -0.744 -6.098 -6.866 438 HD2 PRO 55 2HD PRO 55 -0.083 -5.612 -4.197 439 HD3 PRO 55 1HD PRO 55 0.399 -4.541 -5.532 440 H VAL 56 H VAL 56 -5.203 -3.679 -4.748 441 HA VAL 56 HA VAL 56 -5.631 -5.871 -2.786 442 HB VAL 56 HB VAL 56 -5.227 -3.755 -1.503 443 HG11 VAL 56 1HG1 VAL 56 -6.737 -1.864 -1.678 444 HG12 VAL 56 2HG1 VAL 56 -7.758 -2.704 -2.844 445 HG13 VAL 56 3HG1 VAL 56 -6.129 -2.205 -3.298 446 HG21 VAL 56 3HG2 VAL 56 -8.149 -4.644 -1.415 447 HG22 VAL 56 1HG2 VAL 56 -7.231 -3.915 -0.101 448 HG23 VAL 56 2HG2 VAL 56 -6.819 -5.531 -0.669 449 H ASP 57 H ASP 57 -7.513 -6.885 -3.011 450 HA ASP 57 HA ASP 57 -9.160 -6.345 -5.347 451 HB2 ASP 57 2HB ASP 57 -9.428 -8.414 -3.142 452 HB3 ASP 57 1HB ASP 57 -10.386 -8.375 -4.619 453 H ILE 58 H ILE 58 -10.933 -5.086 -5.354 454 HA ILE 58 HA ILE 58 -12.137 -4.220 -2.782 455 HB ILE 58 HB ILE 58 -13.102 -2.384 -4.161 456 HG12 ILE 58 2HG1 ILE 58 -11.312 -3.458 -6.389 457 HG13 ILE 58 1HG1 ILE 58 -13.055 -3.683 -6.362 458 HG21 ILE 58 1HG2 ILE 58 -10.987 -1.158 -4.466 459 HG22 ILE 58 2HG2 ILE 58 -10.084 -2.671 -4.402 460 HG23 ILE 58 3HG2 ILE 58 -10.938 -2.091 -2.973 461 HD11 ILE 58 3HD1 ILE 58 -11.622 -1.012 -6.432 462 HD12 ILE 58 1HD1 ILE 58 -13.368 -1.232 -6.327 463 HD13 ILE 58 2HD1 ILE 58 -12.498 -1.771 -7.760 464 H SER 59 H SER 59 -12.631 -6.343 -5.354 465 HA SER 59 HA SER 59 -15.397 -6.137 -5.810 466 HB2 SER 59 2HB SER 59 -13.652 -8.614 -5.928 467 HB3 SER 59 1HB SER 59 -15.231 -8.426 -6.688 468 HG SER 59 HG SER 59 -13.171 -7.974 -7.935 469 H GLN 60 H GLN 60 -13.580 -7.960 -3.368 470 HA GLN 60 HA GLN 60 -15.985 -9.158 -2.199 471 HB2 GLN 60 2HB GLN 60 -13.065 -9.222 -1.367 472 HB3 GLN 60 1HB GLN 60 -14.354 -10.164 -0.615 473 HG2 GLN 60 2HG GLN 60 -14.805 -11.271 -2.781 474 HG3 GLN 60 1HG GLN 60 -13.512 -10.338 -3.528 475 HE21 GLN 60 1HE2 GLN 60 -12.858 -12.803 -3.893 476 HE22 GLN 60 2HE2 GLN 60 -11.825 -13.454 -2.714 477 H VAL 61 H VAL 61 -14.493 -6.162 -2.016 478 HA VAL 61 HA VAL 61 -15.000 -5.707 0.859 479 HB VAL 61 HB VAL 61 -13.944 -3.803 -1.266 480 HG11 VAL 61 1HG1 VAL 61 -14.885 -2.627 0.671 481 HG12 VAL 61 2HG1 VAL 61 -13.131 -2.516 0.718 482 HG13 VAL 61 3HG1 VAL 61 -13.973 -3.656 1.769 483 HG21 VAL 61 3HG2 VAL 61 -12.450 -5.769 -0.921 484 HG22 VAL 61 1HG2 VAL 61 -12.451 -5.450 0.812 485 HG23 VAL 61 2HG2 VAL 61 -11.723 -4.289 -0.299 486 H THR 62 H THR 62 -17.035 -5.262 1.408 487 HA THR 62 HA THR 62 -18.662 -3.383 -0.245 488 HB THR 62 HB THR 62 -20.634 -4.745 0.217 489 HG1 THR 62 1HG THR 62 -18.917 -6.696 1.315 490 HG21 THR 62 3HG2 THR 62 -18.371 -6.461 -0.861 491 HG22 THR 62 1HG2 THR 62 -19.286 -5.284 -1.806 492 HG23 THR 62 2HG2 THR 62 -20.092 -6.708 -1.153 493 H GLU 63 H GLU 63 -17.125 -3.925 2.615 494 HA GLU 63 HA GLU 63 -18.833 -1.983 4.058 495 HB2 GLU 63 2HB GLU 63 -17.963 -4.646 5.240 496 HB3 GLU 63 1HB GLU 63 -18.754 -3.338 6.121 497 HG2 GLU 63 2HG GLU 63 -20.712 -3.524 4.569 498 HG3 GLU 63 1HG GLU 63 -19.936 -4.904 3.803 499 H ASP 64 H ASP 64 -17.756 -0.914 5.778 500 HA ASP 64 HA ASP 64 -15.052 -0.265 5.234 501 HB2 ASP 64 2HB ASP 64 -16.642 1.279 6.339 502 HB3 ASP 64 1HB ASP 64 -16.652 0.247 7.765 503 H THR 65 H THR 65 -13.201 -1.088 5.971 504 HA THR 65 HA THR 65 -12.905 -2.546 8.425 505 HB THR 65 HB THR 65 -14.008 -4.326 7.170 506 HG1 THR 65 1HG THR 65 -12.033 -5.750 7.030 507 HG21 THR 65 3HG2 THR 65 -13.466 -3.489 4.881 508 HG22 THR 65 1HG2 THR 65 -13.080 -5.197 5.078 509 HG23 THR 65 2HG2 THR 65 -11.793 -3.995 5.116 510 H SER 66 H SER 66 -10.685 -3.892 8.136 511 HA SER 66 HA SER 66 -8.698 -2.420 6.547 512 HB2 SER 66 2HB SER 66 -7.325 -1.834 8.484 513 HB3 SER 66 1HB SER 66 -8.918 -1.094 8.644 514 HG SER 66 HG SER 66 -8.924 -2.085 10.497 515 H LYS 67 H LYS 67 -6.825 -3.549 6.245 516 HA LYS 67 HA LYS 67 -6.520 -6.224 7.538 517 HB2 LYS 67 2HB LYS 67 -6.492 -5.711 4.545 518 HB3 LYS 67 1HB LYS 67 -6.073 -7.239 5.322 519 HG2 LYS 67 2HG LYS 67 -8.380 -7.304 6.331 520 HG3 LYS 67 1HG LYS 67 -8.790 -5.863 5.404 521 HD2 LYS 67 2HD LYS 67 -7.913 -8.526 4.228 522 HD3 LYS 67 1HD LYS 67 -9.570 -7.926 4.279 523 HE2 LYS 67 2HE LYS 67 -8.925 -7.315 2.093 524 HE3 LYS 67 1HE LYS 67 -8.521 -5.836 2.967 525 HZ1 LYS 67 3HZ LYS 67 -6.450 -6.117 2.283 526 HZ2 LYS 67 1HZ LYS 67 -6.819 -7.615 1.582 527 HZ3 LYS 67 2HZ LYS 67 -6.338 -7.536 3.210 528 H THR 68 H THR 68 -4.442 -6.908 7.756 529 HA THR 68 HA THR 68 -2.346 -4.892 7.453 530 HB THR 68 HB THR 68 -2.162 -7.745 8.508 531 HG1 THR 68 1HG THR 68 -2.047 -5.835 10.362 532 HG21 THR 68 3HG2 THR 68 -0.153 -6.838 9.677 533 HG22 THR 68 1HG2 THR 68 -0.346 -5.320 8.804 534 HG23 THR 68 2HG2 THR 68 0.033 -6.803 7.926 535 H LEU 69 H LEU 69 -0.866 -4.857 5.872 536 HA LEU 69 HA LEU 69 -0.695 -7.122 3.926 537 HB2 LEU 69 2HB LEU 69 -0.363 -4.143 3.403 538 HB3 LEU 69 1HB LEU 69 -0.330 -5.434 2.202 539 HG LEU 69 HG LEU 69 -2.744 -4.707 3.922 540 HD11 LEU 69 1HD1 LEU 69 -2.231 -4.259 0.970 541 HD12 LEU 69 2HD1 LEU 69 -2.188 -2.996 2.197 542 HD13 LEU 69 3HD1 LEU 69 -3.701 -3.829 1.836 543 HD21 LEU 69 3HD2 LEU 69 -2.295 -6.846 1.798 544 HD22 LEU 69 1HD2 LEU 69 -3.913 -6.215 2.126 545 HD23 LEU 69 2HD2 LEU 69 -3.012 -7.015 3.401 546 H GLU 70 H GLU 70 1.226 -7.973 3.662 547 HA GLU 70 HA GLU 70 3.594 -6.758 4.960 548 HB2 GLU 70 2HB GLU 70 4.599 -9.015 4.608 549 HB3 GLU 70 1HB GLU 70 3.125 -9.068 5.571 550 HG2 GLU 70 2HG GLU 70 1.836 -9.724 3.558 551 HG3 GLU 70 1HG GLU 70 3.312 -9.698 2.603 552 H LEU 71 H LEU 71 5.316 -6.081 3.828 553 HA LEU 71 HA LEU 71 5.183 -6.114 0.837 554 HB2 LEU 71 2HB LEU 71 6.692 -4.206 2.664 555 HB3 LEU 71 1HB LEU 71 6.431 -4.043 0.926 556 HG LEU 71 HG LEU 71 4.272 -3.951 3.077 557 HD11 LEU 71 1HD1 LEU 71 5.401 -1.783 1.281 558 HD12 LEU 71 2HD1 LEU 71 5.718 -1.948 3.009 559 HD13 LEU 71 3HD1 LEU 71 4.090 -1.585 2.444 560 HD21 LEU 71 3HD2 LEU 71 3.221 -4.858 1.121 561 HD22 LEU 71 1HD2 LEU 71 4.122 -3.787 0.042 562 HD23 LEU 71 2HD2 LEU 71 2.848 -3.149 1.089 563 H LYS 72 H LYS 72 6.805 -6.943 -0.292 564 HA LYS 72 HA LYS 72 9.373 -7.610 1.036 565 HB2 LYS 72 2HB LYS 72 7.817 -9.604 1.146 566 HB3 LYS 72 1HB LYS 72 7.782 -9.621 -0.615 567 HG2 LYS 72 2HG LYS 72 10.230 -9.932 -0.674 568 HG3 LYS 72 1HG LYS 72 10.290 -9.873 1.088 569 HD2 LYS 72 2HD LYS 72 8.841 -11.882 1.196 570 HD3 LYS 72 1HD LYS 72 8.809 -11.945 -0.567 571 HE2 LYS 72 2HE LYS 72 11.259 -12.227 -0.611 572 HE3 LYS 72 1HE LYS 72 11.307 -12.145 1.152 573 HZ1 LYS 72 3HZ LYS 72 10.607 -14.238 1.339 574 HZ2 LYS 72 1HZ LYS 72 11.042 -14.408 -0.292 575 HZ3 LYS 72 2HZ LYS 72 9.430 -14.070 0.125 576 H ALA 73 H ALA 73 11.106 -7.702 -0.336 577 HA ALA 73 HA ALA 73 10.765 -7.272 -3.227 578 HB1 ALA 73 1HB ALA 73 12.172 -5.252 -3.183 579 HB2 ALA 73 2HB ALA 73 12.216 -5.311 -1.420 580 HB3 ALA 73 3HB ALA 73 10.693 -5.005 -2.253 581 H GLU 74 H GLU 74 12.434 -8.166 -4.351 582 HA GLU 74 HA GLU 74 14.450 -9.680 -2.856 583 HB2 GLU 74 2HB GLU 74 13.813 -9.477 -5.819 584 HB3 GLU 74 1HB GLU 74 15.006 -10.574 -5.123 585 HG2 GLU 74 2HG GLU 74 13.249 -11.639 -3.764 586 HG3 GLU 74 1HG GLU 74 12.048 -10.539 -4.435 587 H GLY 75 H GLY 75 16.263 -8.738 -2.262 588 HA2 GLY 75 2HA GLY 75 18.465 -8.013 -3.217 589 HA3 GLY 75 1HA GLY 75 17.604 -6.736 -4.064 590 H VAL 76 H VAL 76 15.850 -6.558 -1.526 591 HA VAL 76 HA VAL 76 17.754 -5.139 0.280 592 HB VAL 76 HB VAL 76 16.174 -3.271 0.452 593 HG11 VAL 76 1HG1 VAL 76 17.970 -3.162 -1.248 594 HG12 VAL 76 2HG1 VAL 76 16.536 -2.291 -1.778 595 HG13 VAL 76 3HG1 VAL 76 16.888 -3.890 -2.430 596 HG21 VAL 76 3HG2 VAL 76 14.054 -4.422 -0.057 597 HG22 VAL 76 1HG2 VAL 76 14.608 -4.758 -1.700 598 HG23 VAL 76 2HG2 VAL 76 14.277 -3.099 -1.195 599 H THR 77 H THR 77 16.888 -4.789 2.414 600 HA THR 77 HA THR 77 15.024 -6.951 3.270 601 HB THR 77 HB THR 77 16.945 -5.283 4.961 602 HG1 THR 77 1HG THR 77 18.276 -6.470 3.794 603 HG21 THR 77 3HG2 THR 77 15.084 -6.297 6.220 604 HG22 THR 77 1HG2 THR 77 16.602 -7.108 6.597 605 HG23 THR 77 2HG2 THR 77 15.446 -7.870 5.507 606 H VAL 78 H VAL 78 12.997 -6.177 3.369 607 HA VAL 78 HA VAL 78 12.473 -3.342 3.994 608 HB VAL 78 HB VAL 78 10.440 -5.552 3.415 609 HG11 VAL 78 1HG1 VAL 78 9.575 -3.431 4.337 610 HG12 VAL 78 2HG1 VAL 78 9.063 -3.651 2.670 611 HG13 VAL 78 3HG1 VAL 78 10.365 -2.533 3.050 612 HG21 VAL 78 3HG2 VAL 78 12.012 -5.570 1.551 613 HG22 VAL 78 1HG2 VAL 78 11.955 -3.815 1.431 614 HG23 VAL 78 2HG2 VAL 78 10.529 -4.768 1.037 615 H GLN 79 H GLN 79 11.876 -2.701 6.034 616 HA GLN 79 HA GLN 79 10.466 -4.546 7.760 617 HB2 GLN 79 2HB GLN 79 12.144 -4.285 9.653 618 HB3 GLN 79 1HB GLN 79 12.655 -5.316 8.316 619 HG2 GLN 79 2HG GLN 79 13.929 -3.449 7.337 620 HG3 GLN 79 1HG GLN 79 13.412 -2.398 8.655 621 HE21 GLN 79 1HE2 GLN 79 15.818 -2.210 9.123 622 HE22 GLN 79 2HE2 GLN 79 16.561 -3.435 10.032 623 HA PRO 80 HA PRO 80 9.564 -4.461 9.997 624 HB2 PRO 80 2HB PRO 80 7.044 -3.771 10.834 625 HB3 PRO 80 1HB PRO 80 8.505 -3.269 11.718 626 HG2 PRO 80 2HG PRO 80 6.898 -1.689 9.718 627 HG3 PRO 80 1HG PRO 80 7.499 -1.188 11.315 628 HD2 PRO 80 2HD PRO 80 8.846 -0.522 9.028 629 HD3 PRO 80 1HD PRO 80 9.717 -0.886 10.535 630 H SER 81 H SER 81 8.450 -2.682 7.358 631 HA SER 81 HA SER 81 7.356 -3.223 5.419 632 HB2 SER 81 2HB SER 81 7.899 -5.314 4.532 633 HB3 SER 81 1HB SER 81 9.043 -5.251 5.863 634 HG SER 81 HG SER 81 8.057 -7.128 6.196 635 H THR 82 H THR 82 5.865 -3.078 8.013 636 HA THR 82 HA THR 82 3.332 -4.348 7.091 637 HB THR 82 HB THR 82 2.826 -4.716 9.532 638 HG1 THR 82 1HG THR 82 4.156 -3.919 10.926 639 HG21 THR 82 3HG2 THR 82 3.674 -6.572 8.159 640 HG22 THR 82 1HG2 THR 82 4.312 -6.677 9.799 641 HG23 THR 82 2HG2 THR 82 5.324 -6.081 8.492 642 H VAL 83 H VAL 83 1.622 -3.064 7.219 643 HA VAL 83 HA VAL 83 1.605 -0.572 8.766 644 HB VAL 83 HB VAL 83 1.008 0.793 6.730 645 HG11 VAL 83 1HG1 VAL 83 3.789 -0.437 6.427 646 HG12 VAL 83 2HG1 VAL 83 3.386 0.715 7.701 647 HG13 VAL 83 3HG1 VAL 83 3.279 1.197 6.010 648 HG21 VAL 83 3HG2 VAL 83 1.993 -1.676 5.241 649 HG22 VAL 83 1HG2 VAL 83 1.624 -0.121 4.497 650 HG23 VAL 83 2HG2 VAL 83 0.339 -1.064 5.242 651 H LYS 84 H LYS 84 -0.511 0.274 8.989 652 HA LYS 84 HA LYS 84 -2.641 -1.716 8.493 653 HB2 LYS 84 2HB LYS 84 -2.287 -0.781 10.800 654 HB3 LYS 84 1HB LYS 84 -2.688 0.822 10.185 655 HG2 LYS 84 2HG LYS 84 -4.921 0.013 9.502 656 HG3 LYS 84 1HG LYS 84 -4.517 -1.609 10.063 657 HD2 LYS 84 2HD LYS 84 -4.226 -0.721 12.365 658 HD3 LYS 84 1HD LYS 84 -4.667 0.886 11.788 659 HE2 LYS 84 2HE LYS 84 -6.875 0.041 11.093 660 HE3 LYS 84 1HE LYS 84 -6.438 -1.575 11.646 661 HZ1 LYS 84 3HZ LYS 84 -7.534 -0.759 13.460 662 HZ2 LYS 84 1HZ LYS 84 -7.013 0.836 13.216 663 HZ3 LYS 84 2HZ LYS 84 -5.941 -0.319 13.850 664 H VAL 85 H VAL 85 -4.229 -1.323 7.062 665 HA VAL 85 HA VAL 85 -4.472 1.377 5.797 666 HB VAL 85 HB VAL 85 -4.759 -1.324 4.430 667 HG11 VAL 85 1HG1 VAL 85 -4.766 1.513 3.349 668 HG12 VAL 85 2HG1 VAL 85 -6.159 0.440 3.437 669 HG13 VAL 85 3HG1 VAL 85 -4.827 0.047 2.368 670 HG21 VAL 85 3HG2 VAL 85 -2.404 -0.887 5.004 671 HG22 VAL 85 1HG2 VAL 85 -2.515 0.723 4.287 672 HG23 VAL 85 2HG2 VAL 85 -2.649 -0.710 3.268 673 H ASN 86 H ASN 86 -6.433 2.204 5.963 674 HA ASN 86 HA ASN 86 -8.728 0.472 6.761 675 HB2 ASN 86 2HB ASN 86 -8.338 3.481 6.972 676 HB3 ASN 86 1HB ASN 86 -9.745 2.578 7.534 677 HD21 ASN 86 1HD2 ASN 86 -7.545 4.158 9.032 678 HD22 ASN 86 2HD2 ASN 86 -7.007 3.070 10.218 679 H LEU 87 H LEU 87 -10.190 0.062 5.244 680 HA LEU 87 HA LEU 87 -10.333 1.723 2.772 681 HB2 LEU 87 2HB LEU 87 -11.341 -1.111 3.247 682 HB3 LEU 87 1HB LEU 87 -11.212 -0.268 1.703 683 HG LEU 87 HG LEU 87 -8.864 -1.053 3.482 684 HD11 LEU 87 1HD1 LEU 87 -9.843 -2.194 0.843 685 HD12 LEU 87 2HD1 LEU 87 -9.943 -2.992 2.413 686 HD13 LEU 87 3HD1 LEU 87 -8.369 -2.681 1.684 687 HD21 LEU 87 3HD2 LEU 87 -8.225 0.917 2.248 688 HD22 LEU 87 1HD2 LEU 87 -9.009 0.339 0.775 689 HD23 LEU 87 2HD2 LEU 87 -7.540 -0.435 1.370 690 H LYS 88 H LYS 88 -11.890 3.231 3.021 691 HA LYS 88 HA LYS 88 -14.311 2.624 4.568 692 HB2 LYS 88 2HB LYS 88 -13.119 4.816 4.798 693 HB3 LYS 88 1HB LYS 88 -13.478 5.169 3.109 694 HG2 LYS 88 2HG LYS 88 -15.902 5.024 3.583 695 HG3 LYS 88 1HG LYS 88 -15.549 4.630 5.267 696 HD2 LYS 88 2HD LYS 88 -14.424 6.822 5.534 697 HD3 LYS 88 1HD LYS 88 -14.792 7.209 3.851 698 HE2 LYS 88 2HE LYS 88 -16.456 8.225 5.364 699 HE3 LYS 88 1HE LYS 88 -17.209 7.007 4.334 700 HZ1 LYS 88 3HZ LYS 88 -17.231 5.459 6.077 701 HZ2 LYS 88 1HZ LYS 88 -17.772 6.908 6.774 702 HZ3 LYS 88 2HZ LYS 88 -16.177 6.382 7.038 703 H VAL 89 H VAL 89 -16.176 2.033 3.627 704 HA VAL 89 HA VAL 89 -16.386 2.031 0.654 705 HB VAL 89 HB VAL 89 -18.017 0.489 2.721 706 HG11 VAL 89 1HG1 VAL 89 -19.170 0.798 0.561 707 HG12 VAL 89 2HG1 VAL 89 -18.662 -0.878 0.746 708 HG13 VAL 89 3HG1 VAL 89 -17.746 0.211 -0.295 709 HG21 VAL 89 3HG2 VAL 89 -15.677 -0.230 2.815 710 HG22 VAL 89 1HG2 VAL 89 -15.612 -0.353 1.057 711 HG23 VAL 89 2HG2 VAL 89 -16.624 -1.462 1.986 712 H THR 90 H THR 90 -17.848 3.327 -0.294 713 HA THR 90 HA THR 90 -19.681 4.954 1.400 714 HB THR 90 HB THR 90 -18.863 5.346 -1.511 715 HG1 THR 90 1HG THR 90 -17.120 6.141 -0.724 716 HG21 THR 90 3HG2 THR 90 -20.985 6.452 -0.913 717 HG22 THR 90 1HG2 THR 90 -19.705 7.644 -1.122 718 HG23 THR 90 2HG2 THR 90 -20.217 7.179 0.498 719 H GLN 91 H GLN 91 -21.744 4.308 1.475 720 HA GLN 91 HA GLN 91 -22.797 2.311 -0.356 721 HB2 GLN 91 2HB GLN 91 -24.193 3.883 1.848 722 HB3 GLN 91 1HB GLN 91 -24.789 2.418 1.066 723 HG2 GLN 91 2HG GLN 91 -22.249 2.625 2.724 724 HG3 GLN 91 1HG GLN 91 -23.767 1.918 3.266 725 HE21 GLN 91 1HE2 GLN 91 -20.779 1.095 2.001 726 HE22 GLN 91 2HE2 GLN 91 -21.181 -0.401 1.309 727 H LYS 92 H LYS 92 -24.037 2.691 -2.106 728 HA LYS 92 HA LYS 92 -24.290 5.338 -3.143 729 HB2 LYS 92 2HB LYS 92 -24.034 3.298 -4.567 730 HB3 LYS 92 1HB LYS 92 -25.647 2.778 -4.085 731 HG2 LYS 92 2HG LYS 92 -26.620 4.832 -5.063 732 HG3 LYS 92 1HG LYS 92 -25.005 5.394 -5.499 733 HD2 LYS 92 2HD LYS 92 -24.727 3.418 -6.967 734 HD3 LYS 92 1HD LYS 92 -26.346 2.873 -6.530 735 HE2 LYS 92 2HE LYS 92 -26.374 4.083 -8.687 736 HE3 LYS 92 1HE LYS 92 -27.305 4.951 -7.466 737 HZ1 LYS 92 3HZ LYS 92 -25.823 6.419 -8.712 738 HZ2 LYS 92 1HZ LYS 92 -24.480 5.523 -8.191 739 HZ3 LYS 92 2HZ LYS 92 -25.419 6.379 -7.062 740 H LEU 93 H LEU 93 -26.023 6.708 -3.108 741 HA LEU 93 HA LEU 93 -28.648 5.762 -2.253 742 HB2 LEU 93 2HB LEU 93 -27.159 6.381 -0.167 743 HB3 LEU 93 1HB LEU 93 -27.396 8.047 -0.678 744 HG LEU 93 HG LEU 93 -30.011 7.307 -0.736 745 HD11 LEU 93 1HD1 LEU 93 -30.560 5.667 0.984 746 HD12 LEU 93 2HD1 LEU 93 -28.856 5.450 1.387 747 HD13 LEU 93 3HD1 LEU 93 -29.468 4.909 -0.174 748 HD21 LEU 93 3HD2 LEU 93 -28.503 7.896 1.838 749 HD22 LEU 93 1HD2 LEU 93 -30.246 8.078 1.617 750 HD23 LEU 93 2HD2 LEU 93 -29.131 9.094 0.705 751 H GLU 94 H GLU 94 -30.151 6.779 -3.384 752 HA GLU 94 HA GLU 94 -29.520 8.816 -5.283 753 HB2 GLU 94 2HB GLU 94 -32.202 7.823 -4.259 754 HB3 GLU 94 1HB GLU 94 -31.974 8.841 -5.682 755 HG2 GLU 94 2HG GLU 94 -30.586 7.081 -6.723 756 HG3 GLU 94 1HG GLU 94 -30.810 6.061 -5.305 757 H HIS 95 H HIS 95 -30.514 10.949 -5.346 758 HA HIS 95 HA HIS 95 -31.563 12.153 -2.928 759 HB2 HIS 95 2HB HIS 95 -29.700 13.764 -2.649 760 HB3 HIS 95 1HB HIS 95 -29.172 12.107 -2.359 761 HD2 HIS 95 2HD HIS 95 -28.053 10.963 -4.990 762 HE1 HIS 95 1HE HIS 95 -26.476 14.748 -5.991 763 HE2 HIS 95 2HE HIS 95 -26.396 12.267 -6.529 764 H HIS 96 H HIS 96 -31.190 14.768 -3.420 765 HA HIS 96 HA HIS 96 -32.965 15.304 -5.574 766 HB2 HIS 96 2HB HIS 96 -31.117 17.187 -4.065 767 HB3 HIS 96 1HB HIS 96 -32.481 17.673 -5.072 768 HD2 HIS 96 2HD HIS 96 -31.860 16.927 -1.425 769 HE1 HIS 96 1HE HIS 96 -35.961 16.113 -2.019 770 HE2 HIS 96 2HE HIS 96 -34.155 16.458 -0.268 771 H HIS 97 H HIS 97 -32.586 15.813 -7.672 772 HA HIS 97 HA HIS 97 -30.035 15.286 -8.838 773 HB2 HIS 97 2HB HIS 97 -32.199 14.929 -10.015 774 HB3 HIS 97 1HB HIS 97 -32.457 16.672 -10.055 775 HD2 HIS 97 2HD HIS 97 -31.348 17.870 -12.295 776 HE1 HIS 97 1HE HIS 97 -28.634 14.804 -13.329 777 HE2 HIS 97 2HE HIS 97 -29.555 17.069 -14.017 778 H HIS 98 H HIS 98 -28.516 16.697 -9.689 779 HA HIS 98 HA HIS 98 -28.151 19.193 -8.378 780 HB2 HIS 98 2HB HIS 98 -26.838 18.128 -10.904 781 HB3 HIS 98 1HB HIS 98 -26.244 19.462 -9.913 782 HD2 HIS 98 2HD HIS 98 -25.325 18.637 -7.273 783 HE1 HIS 98 1HE HIS 98 -25.092 14.545 -8.287 784 HE2 HIS 98 2HE HIS 98 -24.459 16.283 -6.547 785 H HIS 99 H HIS 99 -29.026 21.130 -8.843 786 HA HIS 99 HA HIS 99 -30.862 21.520 -10.974 787 HB2 HIS 99 2HB HIS 99 -30.937 22.782 -8.841 788 HB3 HIS 99 1HB HIS 99 -29.431 23.593 -9.269 789 HD2 HIS 99 2HD HIS 99 -29.842 25.920 -10.710 790 HE1 HIS 99 1HE HIS 99 -33.761 25.113 -12.055 791 HE2 HIS 99 2HE HIS 99 -31.893 26.831 -12.046 792 H HIS 100 H HIS 100 -27.471 22.472 -10.505 793 HA HIS 100 HA HIS 100 -27.172 24.027 -12.839 794 HB2 HIS 100 2HB HIS 100 -25.082 22.351 -11.408 795 HB3 HIS 100 1HB HIS 100 -24.760 23.674 -12.529 796 HD2 HIS 100 2HD HIS 100 -25.359 23.183 -8.782 797 HE1 HIS 100 1HE HIS 100 -25.971 27.293 -9.524 798 HE2 HIS 100 2HE HIS 100 -25.675 25.542 -7.709 Start of MODEL 2 1 H1 LYS 1 1HT LYS 1 26.960 4.733 8.956 2 H2 LYS 1 2HT LYS 1 27.662 6.268 8.769 3 H3 LYS 1 3HT LYS 1 27.959 5.361 10.175 4 HA LYS 1 HA LYS 1 28.667 4.169 7.605 5 HB2 LYS 1 2HB LYS 1 30.874 5.334 7.668 6 HB3 LYS 1 1HB LYS 1 29.534 6.442 7.370 7 HG2 LYS 1 2HG LYS 1 29.517 7.057 9.777 8 HG3 LYS 1 1HG LYS 1 30.885 5.981 10.060 9 HD2 LYS 1 2HD LYS 1 32.264 7.286 8.493 10 HD3 LYS 1 1HD LYS 1 30.902 8.359 8.169 11 HE2 LYS 1 2HE LYS 1 32.443 9.351 9.829 12 HE3 LYS 1 1HE LYS 1 30.858 9.039 10.538 13 HZ1 LYS 1 2HZ LYS 1 31.656 7.106 11.594 14 HZ2 LYS 1 3HZ LYS 1 32.818 8.309 11.894 15 HZ3 LYS 1 1HZ LYS 1 33.112 7.123 10.717 16 H ILE 2 H ILE 2 28.990 4.729 11.030 17 HA ILE 2 HA ILE 2 31.122 2.940 11.591 18 HB ILE 2 HB ILE 2 28.796 3.743 13.386 19 HG12 ILE 2 2HG1 ILE 2 31.561 5.024 13.135 20 HG13 ILE 2 1HG1 ILE 2 30.109 5.685 12.391 21 HG21 ILE 2 1HG2 ILE 2 30.048 1.817 14.284 22 HG22 ILE 2 2HG2 ILE 2 30.444 3.243 15.224 23 HG23 ILE 2 3HG2 ILE 2 31.575 2.652 14.009 24 HD11 ILE 2 3HD1 ILE 2 30.512 6.820 14.508 25 HD12 ILE 2 1HD1 ILE 2 30.551 5.278 15.363 26 HD13 ILE 2 2HD1 ILE 2 29.048 5.847 14.637 27 H SER 3 H SER 3 31.122 0.775 12.148 28 HA SER 3 HA SER 3 30.481 -1.430 12.044 29 HB2 SER 3 2HB SER 3 29.118 -0.625 13.986 30 HB3 SER 3 1HB SER 3 27.771 -0.371 12.885 31 HG SER 3 HG SER 3 28.199 -2.671 12.283 32 H LEU 4 H LEU 4 30.690 -1.691 9.809 33 HA LEU 4 HA LEU 4 30.028 -2.170 7.671 34 HB2 LEU 4 2HB LEU 4 27.320 -2.704 8.941 35 HB3 LEU 4 1HB LEU 4 27.907 -3.336 7.405 36 HG LEU 4 HG LEU 4 29.109 -3.927 10.134 37 HD11 LEU 4 1HD1 LEU 4 27.468 -5.664 8.262 38 HD12 LEU 4 2HD1 LEU 4 26.925 -5.001 9.804 39 HD13 LEU 4 3HD1 LEU 4 28.214 -6.203 9.767 40 HD21 LEU 4 3HD2 LEU 4 30.933 -4.115 8.621 41 HD22 LEU 4 1HD2 LEU 4 29.925 -4.743 7.315 42 HD23 LEU 4 2HD2 LEU 4 30.330 -5.762 8.700 43 H ARG 5 H ARG 5 30.131 -0.419 6.512 44 HA ARG 5 HA ARG 5 28.525 1.893 6.742 45 HB2 ARG 5 2HB ARG 5 30.141 0.875 4.384 46 HB3 ARG 5 1HB ARG 5 29.562 2.528 4.599 47 HG2 ARG 5 2HG ARG 5 30.911 2.776 6.635 48 HG3 ARG 5 1HG ARG 5 31.447 1.100 6.519 49 HD2 ARG 5 2HD ARG 5 33.191 2.530 5.632 50 HD3 ARG 5 1HD ARG 5 32.473 1.627 4.299 51 HE ARG 5 HE ARG 5 31.130 4.118 4.625 52 HH11 ARG 5 1HH2 ARG 5 34.132 2.764 3.505 53 HH12 ARG 5 2HH2 ARG 5 34.452 4.065 2.408 54 HH21 ARG 5 1HH1 ARG 5 31.562 5.806 3.198 55 HH22 ARG 5 2HH1 ARG 5 33.001 5.784 2.235 56 H LYS 6 H LYS 6 26.413 0.713 6.860 57 HA LYS 6 HA LYS 6 25.322 -0.155 4.239 58 HB2 LYS 6 2HB LYS 6 24.173 -0.332 7.047 59 HB3 LYS 6 1HB LYS 6 23.415 -0.958 5.584 60 HG2 LYS 6 2HG LYS 6 25.387 -2.431 5.198 61 HG3 LYS 6 1HG LYS 6 26.129 -1.804 6.662 62 HD2 LYS 6 2HD LYS 6 25.160 -3.823 7.448 63 HD3 LYS 6 1HD LYS 6 23.924 -2.644 7.870 64 HE2 LYS 6 2HE LYS 6 22.700 -3.220 5.787 65 HE3 LYS 6 1HE LYS 6 23.936 -4.398 5.388 66 HZ1 LYS 6 3HZ LYS 6 22.215 -4.431 7.805 67 HZ2 LYS 6 1HZ LYS 6 23.419 -5.567 7.436 68 HZ3 LYS 6 2HZ LYS 6 22.045 -5.437 6.447 69 H LEU 7 H LEU 7 23.792 0.995 3.191 70 HA LEU 7 HA LEU 7 23.168 3.716 4.146 71 HB2 LEU 7 2HB LEU 7 22.571 2.432 1.449 72 HB3 LEU 7 1HB LEU 7 22.520 4.150 1.846 73 HG LEU 7 HG LEU 7 25.007 2.394 1.840 74 HD11 LEU 7 1HD1 LEU 7 24.128 4.611 -0.036 75 HD12 LEU 7 2HD1 LEU 7 24.162 2.889 -0.415 76 HD13 LEU 7 3HD1 LEU 7 25.669 3.754 -0.114 77 HD21 LEU 7 3HD2 LEU 7 24.591 5.322 2.564 78 HD22 LEU 7 1HD2 LEU 7 26.165 4.716 2.041 79 HD23 LEU 7 2HD2 LEU 7 25.420 4.068 3.490 80 H SER 8 H SER 8 20.868 4.353 3.227 81 HA SER 8 HA SER 8 18.794 2.347 3.566 82 HB2 SER 8 2HB SER 8 17.775 3.323 5.560 83 HB3 SER 8 1HB SER 8 19.428 2.838 5.933 84 HG SER 8 HG SER 8 18.462 5.135 6.400 85 H LYS 9 H LYS 9 16.774 3.105 2.959 86 HA LYS 9 HA LYS 9 16.425 5.899 2.162 87 HB2 LYS 9 2HB LYS 9 16.318 3.634 0.137 88 HB3 LYS 9 1HB LYS 9 15.787 5.287 -0.157 89 HG2 LYS 9 2HG LYS 9 18.157 6.051 0.434 90 HG3 LYS 9 1HG LYS 9 18.618 4.354 0.452 91 HD2 LYS 9 2HD LYS 9 19.186 4.912 -1.754 92 HD3 LYS 9 1HD LYS 9 17.549 4.314 -1.986 93 HE2 LYS 9 2HE LYS 9 16.706 6.664 -1.893 94 HE3 LYS 9 1HE LYS 9 18.366 7.225 -1.728 95 HZ1 LYS 9 3HZ LYS 9 17.615 5.463 -3.964 96 HZ2 LYS 9 1HZ LYS 9 18.890 6.576 -3.862 97 HZ3 LYS 9 2HZ LYS 9 17.295 7.129 -4.052 98 H SER 10 H SER 10 14.264 6.265 1.349 99 HA SER 10 HA SER 10 12.241 4.482 2.644 100 HB2 SER 10 2HB SER 10 12.082 7.472 2.147 101 HB3 SER 10 1HB SER 10 10.881 6.475 2.971 102 HG SER 10 HG SER 10 12.101 6.462 4.697 103 H VAL 11 H VAL 11 10.596 3.765 1.441 104 HA VAL 11 HA VAL 11 10.246 4.701 -1.368 105 HB VAL 11 HB VAL 11 9.553 2.206 -1.758 106 HG11 VAL 11 1HG1 VAL 11 12.476 2.890 -1.263 107 HG12 VAL 11 2HG1 VAL 11 11.578 3.236 -2.741 108 HG13 VAL 11 3HG1 VAL 11 11.871 1.574 -2.265 109 HG21 VAL 11 3HG2 VAL 11 9.596 1.562 0.678 110 HG22 VAL 11 1HG2 VAL 11 11.329 1.858 0.703 111 HG23 VAL 11 2HG2 VAL 11 10.666 0.574 -0.299 112 HA PRO 12 HA PRO 12 6.188 5.328 0.770 113 HB2 PRO 12 2HB PRO 12 5.558 6.499 -1.957 114 HB3 PRO 12 1HB PRO 12 5.179 7.159 -0.345 115 HG2 PRO 12 2HG PRO 12 7.168 8.209 -1.747 116 HG3 PRO 12 1HG PRO 12 7.387 7.905 -0.006 117 HD2 PRO 12 2HD PRO 12 8.414 6.249 -2.337 118 HD3 PRO 12 1HD PRO 12 9.244 6.723 -0.828 119 H VAL 13 H VAL 13 4.321 4.133 0.674 120 HA VAL 13 HA VAL 13 4.218 1.906 -1.243 121 HB VAL 13 HB VAL 13 2.397 2.488 1.135 122 HG11 VAL 13 1HG1 VAL 13 1.963 0.038 1.002 123 HG12 VAL 13 2HG1 VAL 13 2.984 -0.055 -0.433 124 HG13 VAL 13 3HG1 VAL 13 1.478 0.862 -0.477 125 HG21 VAL 13 3HG2 VAL 13 4.774 2.309 1.849 126 HG22 VAL 13 1HG2 VAL 13 4.903 0.765 1.009 127 HG23 VAL 13 2HG2 VAL 13 3.826 0.934 2.397 128 H LYS 14 H LYS 14 2.822 1.825 -2.911 129 HA LYS 14 HA LYS 14 0.658 3.876 -3.123 130 HB2 LYS 14 2HB LYS 14 2.539 4.158 -4.742 131 HB3 LYS 14 1HB LYS 14 2.213 2.554 -5.374 132 HG2 LYS 14 2HG LYS 14 -0.031 3.226 -6.066 133 HG3 LYS 14 1HG LYS 14 0.164 4.810 -5.322 134 HD2 LYS 14 2HD LYS 14 2.131 3.917 -7.472 135 HD3 LYS 14 1HD LYS 14 0.555 4.538 -7.946 136 HE2 LYS 14 2HE LYS 14 2.553 6.042 -6.215 137 HE3 LYS 14 1HE LYS 14 2.269 6.324 -7.927 138 HZ1 LYS 14 3HZ LYS 14 0.679 7.098 -5.646 139 HZ2 LYS 14 1HZ LYS 14 -0.218 6.442 -6.928 140 HZ3 LYS 14 2HZ LYS 14 0.779 7.792 -7.194 141 H LEU 15 H LEU 15 -1.320 3.070 -3.198 142 HA LEU 15 HA LEU 15 -1.769 0.153 -3.559 143 HB2 LEU 15 2HB LEU 15 -3.613 2.304 -2.452 144 HB3 LEU 15 1HB LEU 15 -3.918 0.568 -2.453 145 HG LEU 15 HG LEU 15 -1.633 1.946 -0.988 146 HD11 LEU 15 1HD1 LEU 15 -3.857 2.442 -0.008 147 HD12 LEU 15 2HD1 LEU 15 -2.901 1.411 1.057 148 HD13 LEU 15 3HD1 LEU 15 -4.196 0.711 0.082 149 HD21 LEU 15 3HD2 LEU 15 -1.581 -0.406 0.187 150 HD22 LEU 15 1HD2 LEU 15 -0.856 -0.256 -1.404 151 HD23 LEU 15 2HD2 LEU 15 -2.460 -0.974 -1.232 152 H GLU 16 H GLU 16 -2.702 -0.574 -5.364 153 HA GLU 16 HA GLU 16 -4.084 1.351 -7.191 154 HB2 GLU 16 2HB GLU 16 -1.938 0.398 -8.048 155 HB3 GLU 16 1HB GLU 16 -2.620 -1.218 -7.900 156 HG2 GLU 16 2HG GLU 16 -4.408 -0.627 -9.498 157 HG3 GLU 16 1HG GLU 16 -3.782 1.015 -9.607 158 H LEU 17 H LEU 17 -6.204 1.083 -6.913 159 HA LEU 17 HA LEU 17 -7.478 -1.248 -5.937 160 HB2 LEU 17 2HB LEU 17 -9.557 -0.122 -6.608 161 HB3 LEU 17 1HB LEU 17 -8.475 0.967 -5.753 162 HG LEU 17 HG LEU 17 -7.696 1.366 -8.443 163 HD11 LEU 17 1HD1 LEU 17 -10.729 1.233 -8.429 164 HD12 LEU 17 2HD1 LEU 17 -9.698 0.003 -9.144 165 HD13 LEU 17 3HD1 LEU 17 -9.677 1.644 -9.785 166 HD21 LEU 17 3HD2 LEU 17 -8.846 3.538 -8.278 167 HD22 LEU 17 1HD2 LEU 17 -8.038 3.147 -6.760 168 HD23 LEU 17 2HD2 LEU 17 -9.784 2.949 -6.903 169 H THR 18 H THR 18 -8.070 -3.068 -6.954 170 HA THR 18 HA THR 18 -8.125 -3.183 -9.937 171 HB THR 18 HB THR 18 -7.158 -5.380 -8.067 172 HG1 THR 18 1HG THR 18 -5.883 -3.301 -8.449 173 HG21 THR 18 3HG2 THR 18 -8.061 -6.217 -10.197 174 HG22 THR 18 1HG2 THR 18 -6.307 -6.375 -10.179 175 HG23 THR 18 2HG2 THR 18 -7.063 -5.068 -11.087 176 H GLY 19 H GLY 19 -9.850 -4.137 -10.789 177 HA2 GLY 19 2HA GLY 19 -11.575 -5.881 -10.759 178 HA3 GLY 19 1HA GLY 19 -11.842 -5.544 -9.052 179 H ASP 20 H ASP 20 -13.929 -5.535 -10.847 180 HA ASP 20 HA ASP 20 -14.552 -2.798 -11.676 181 HB2 ASP 20 2HB ASP 20 -16.704 -3.789 -12.389 182 HB3 ASP 20 1HB ASP 20 -15.332 -4.686 -13.034 183 H LYS 21 H LYS 21 -15.975 -1.420 -10.651 184 HA LYS 21 HA LYS 21 -16.317 -1.657 -7.830 185 HB2 LYS 21 2HB LYS 21 -17.631 0.196 -9.850 186 HB3 LYS 21 1HB LYS 21 -17.723 0.395 -8.100 187 HG2 LYS 21 2HG LYS 21 -15.257 0.584 -7.990 188 HG3 LYS 21 1HG LYS 21 -15.167 0.390 -9.742 189 HD2 LYS 21 2HD LYS 21 -16.542 2.443 -10.025 190 HD3 LYS 21 1HD LYS 21 -16.585 2.642 -8.272 191 HE2 LYS 21 2HE LYS 21 -14.089 2.649 -10.001 192 HE3 LYS 21 1HE LYS 21 -14.828 4.061 -9.246 193 HZ1 LYS 21 3HZ LYS 21 -14.508 2.219 -7.227 194 HZ2 LYS 21 1HZ LYS 21 -13.591 3.624 -7.477 195 HZ3 LYS 21 2HZ LYS 21 -13.064 2.143 -8.121 196 H ALA 22 H ALA 22 -17.985 -2.464 -6.645 197 HA ALA 22 HA ALA 22 -19.884 -4.207 -7.816 198 HB1 ALA 22 1HB ALA 22 -19.949 -2.965 -5.049 199 HB2 ALA 22 2HB ALA 22 -19.111 -4.447 -5.488 200 HB3 ALA 22 3HB ALA 22 -20.870 -4.370 -5.576 201 H SER 23 H SER 23 -22.319 -3.961 -7.129 202 HA SER 23 HA SER 23 -23.308 -1.584 -8.533 203 HB2 SER 23 2HB SER 23 -24.254 -3.798 -9.041 204 HB3 SER 23 1HB SER 23 -24.806 -3.950 -7.376 205 HG SER 23 HG SER 23 -25.643 -1.618 -8.187 206 H ASN 24 H ASN 24 -23.032 -2.740 -5.255 207 HA ASN 24 HA ASN 24 -24.988 -0.813 -4.198 208 HB2 ASN 24 2HB ASN 24 -24.479 -1.869 -2.032 209 HB3 ASN 24 1HB ASN 24 -24.898 -3.073 -3.247 210 HD21 ASN 24 1HD2 ASN 24 -22.680 -2.467 -0.828 211 HD22 ASN 24 2HD2 ASN 24 -21.395 -3.419 -1.396 212 H VAL 25 H VAL 25 -21.639 -0.864 -4.909 213 HA VAL 25 HA VAL 25 -20.967 1.171 -2.856 214 HB VAL 25 HB VAL 25 -19.480 -0.830 -3.259 215 HG11 VAL 25 1HG1 VAL 25 -19.777 -0.714 -5.834 216 HG12 VAL 25 2HG1 VAL 25 -18.151 -1.038 -5.251 217 HG13 VAL 25 3HG1 VAL 25 -18.585 0.574 -5.813 218 HG21 VAL 25 3HG2 VAL 25 -18.206 1.876 -3.813 219 HG22 VAL 25 1HG2 VAL 25 -17.389 0.456 -3.167 220 HG23 VAL 25 2HG2 VAL 25 -18.631 1.263 -2.216 221 H SER 26 H SER 26 -20.854 3.276 -3.335 222 HA SER 26 HA SER 26 -21.206 4.196 -6.117 223 HB2 SER 26 2HB SER 26 -22.641 5.160 -4.367 224 HB3 SER 26 1HB SER 26 -21.218 5.719 -3.492 225 HG SER 26 HG SER 26 -20.793 6.646 -5.805 226 H SER 27 H SER 27 -18.912 4.366 -3.428 227 HA SER 27 HA SER 27 -16.690 4.909 -5.217 228 HB2 SER 27 2HB SER 27 -16.042 7.031 -4.185 229 HB3 SER 27 1HB SER 27 -17.656 7.183 -4.876 230 HG SER 27 HG SER 27 -16.866 6.916 -2.181 231 H ILE 28 H ILE 28 -14.632 4.840 -4.085 232 HA ILE 28 HA ILE 28 -14.687 3.695 -1.334 233 HB ILE 28 HB ILE 28 -13.038 2.601 -3.653 234 HG12 ILE 28 2HG1 ILE 28 -15.373 1.332 -2.157 235 HG13 ILE 28 1HG1 ILE 28 -15.498 2.032 -3.766 236 HG21 ILE 28 1HG2 ILE 28 -12.431 0.820 -1.982 237 HG22 ILE 28 2HG2 ILE 28 -13.316 1.713 -0.751 238 HG23 ILE 28 3HG2 ILE 28 -11.871 2.406 -1.482 239 HD11 ILE 28 3HD1 ILE 28 -15.228 -0.351 -4.018 240 HD12 ILE 28 1HD1 ILE 28 -13.819 -0.348 -2.960 241 HD13 ILE 28 2HD1 ILE 28 -13.732 0.418 -4.547 242 H SER 29 H SER 29 -13.015 4.291 -0.062 243 HA SER 29 HA SER 29 -10.808 5.960 -1.161 244 HB2 SER 29 2HB SER 29 -11.082 7.474 0.796 245 HB3 SER 29 1HB SER 29 -12.497 7.493 -0.253 246 HG SER 29 HG SER 29 -12.701 7.183 2.183 247 H TYR 30 H TYR 30 -8.957 6.043 0.256 248 HA TYR 30 HA TYR 30 -8.792 4.035 2.415 249 HB2 TYR 30 2HB TYR 30 -6.765 3.034 1.419 250 HB3 TYR 30 1HB TYR 30 -8.168 2.806 0.377 251 HD1 TYR 30 1HD TYR 30 -5.001 4.690 0.817 252 HD2 TYR 30 2HD TYR 30 -8.359 3.986 -1.781 253 HE1 TYR 30 1HE TYR 30 -3.833 5.872 -1.018 254 HE2 TYR 30 2HE TYR 30 -7.181 5.168 -3.614 255 HH TYR 30 HH TYR 30 -5.442 6.616 -4.047 256 H SER 31 H SER 31 -6.965 4.297 3.757 257 HA SER 31 HA SER 31 -5.303 6.716 3.425 258 HB2 SER 31 2HB SER 31 -7.292 7.508 4.638 259 HB3 SER 31 1HB SER 31 -7.075 6.238 5.840 260 HG SER 31 HG SER 31 -5.927 8.635 5.723 261 H PHE 32 H PHE 32 -3.603 6.831 5.043 262 HA PHE 32 HA PHE 32 -2.898 4.317 6.421 263 HB2 PHE 32 2HB PHE 32 -0.608 4.414 5.327 264 HB3 PHE 32 1HB PHE 32 -1.918 3.968 4.236 265 HD1 PHE 32 1HD PHE 32 0.188 6.858 5.358 266 HD2 PHE 32 2HD PHE 32 -2.441 5.353 2.302 267 HE1 PHE 32 1HE PHE 32 0.745 8.791 3.925 268 HE2 PHE 32 2HE PHE 32 -1.874 7.293 0.873 269 HZ PHE 32 HZ PHE 32 -0.286 9.013 1.683 270 H ASP 33 H ASP 33 -1.579 4.612 8.165 271 HA ASP 33 HA ASP 33 -1.455 7.213 9.340 272 HB2 ASP 33 2HB ASP 33 -1.655 5.103 10.640 273 HB3 ASP 33 1HB ASP 33 -0.014 4.673 10.169 274 H ARG 34 H ARG 34 0.867 5.208 7.586 275 HA ARG 34 HA ARG 34 2.801 7.473 7.488 276 HB2 ARG 34 2HB ARG 34 3.436 4.548 8.014 277 HB3 ARG 34 1HB ARG 34 4.640 5.801 7.709 278 HG2 ARG 34 2HG ARG 34 3.879 7.035 9.705 279 HG3 ARG 34 1HG ARG 34 2.663 5.796 10.017 280 HD2 ARG 34 2HD ARG 34 4.448 4.103 10.258 281 HD3 ARG 34 1HD ARG 34 5.664 5.343 9.957 282 HE ARG 34 HE ARG 34 4.043 6.190 12.098 283 HH11 ARG 34 1HH2 ARG 34 6.367 3.725 11.312 284 HH12 ARG 34 2HH2 ARG 34 6.929 3.557 12.941 285 HH21 ARG 34 1HH1 ARG 34 4.785 5.961 14.219 286 HH22 ARG 34 2HH1 ARG 34 6.036 4.820 14.582 287 H GLY 35 H GLY 35 2.015 4.244 6.202 288 HA2 GLY 35 2HA GLY 35 2.025 3.413 4.059 289 HA3 GLY 35 1HA GLY 35 1.742 5.068 3.529 290 H HIS 36 H HIS 36 4.594 4.340 5.405 291 HA HIS 36 HA HIS 36 6.336 4.034 3.061 292 HB2 HIS 36 2HB HIS 36 7.768 5.928 3.686 293 HB3 HIS 36 1HB HIS 36 6.138 6.504 3.349 294 HD2 HIS 36 2HD HIS 36 5.202 8.145 5.379 295 HE1 HIS 36 1HE HIS 36 7.635 6.683 8.505 296 HE2 HIS 36 2HE HIS 36 5.848 8.381 7.898 297 H VAL 37 H VAL 37 8.146 2.889 3.558 298 HA VAL 37 HA VAL 37 8.782 2.282 6.408 299 HB VAL 37 HB VAL 37 9.160 -0.081 5.748 300 HG11 VAL 37 1HG1 VAL 37 7.000 0.592 6.733 301 HG12 VAL 37 2HG1 VAL 37 6.762 -0.693 5.551 302 HG13 VAL 37 3HG1 VAL 37 6.376 0.974 5.128 303 HG21 VAL 37 3HG2 VAL 37 8.245 -0.872 3.566 304 HG22 VAL 37 1HG2 VAL 37 9.581 0.251 3.333 305 HG23 VAL 37 2HG2 VAL 37 7.921 0.798 3.108 306 H THR 38 H THR 38 10.986 1.347 6.646 307 HA THR 38 HA THR 38 12.885 2.756 4.855 308 HB THR 38 HB THR 38 13.319 1.507 7.598 309 HG1 THR 38 1HG THR 38 11.917 3.289 7.645 310 HG21 THR 38 3HG2 THR 38 15.035 3.355 5.894 311 HG22 THR 38 1HG2 THR 38 15.408 1.681 6.312 312 HG23 THR 38 2HG2 THR 38 15.384 2.918 7.564 313 H ILE 39 H ILE 39 14.256 1.642 3.584 314 HA ILE 39 HA ILE 39 14.427 -1.333 3.840 315 HB ILE 39 HB ILE 39 14.718 -1.370 1.384 316 HG12 ILE 39 2HG1 ILE 39 14.015 1.591 1.502 317 HG13 ILE 39 1HG1 ILE 39 15.622 0.984 1.151 318 HG21 ILE 39 1HG2 ILE 39 12.369 -0.914 0.821 319 HG22 ILE 39 2HG2 ILE 39 12.203 0.104 2.250 320 HG23 ILE 39 3HG2 ILE 39 12.467 -1.623 2.421 321 HD11 ILE 39 3HD1 ILE 39 14.600 -0.278 -0.810 322 HD12 ILE 39 1HD1 ILE 39 14.578 1.482 -0.949 323 HD13 ILE 39 2HD1 ILE 39 13.121 0.612 -0.485 324 H VAL 40 H VAL 40 16.389 -2.290 3.529 325 HA VAL 40 HA VAL 40 18.805 -0.548 3.330 326 HB VAL 40 HB VAL 40 18.385 -2.834 5.287 327 HG11 VAL 40 1HG1 VAL 40 20.579 -2.054 6.210 328 HG12 VAL 40 2HG1 VAL 40 20.720 -0.931 4.857 329 HG13 VAL 40 3HG1 VAL 40 20.725 -2.668 4.567 330 HG21 VAL 40 3HG2 VAL 40 17.109 -0.824 5.924 331 HG22 VAL 40 1HG2 VAL 40 18.547 0.173 5.716 332 HG23 VAL 40 2HG2 VAL 40 18.485 -1.032 7.003 333 H GLY 41 H GLY 41 20.367 -1.292 2.017 334 HA2 GLY 41 2HA GLY 41 21.119 -3.904 1.473 335 HA3 GLY 41 1HA GLY 41 19.895 -3.518 0.275 336 H SER 42 H SER 42 21.676 -3.849 -1.257 337 HA SER 42 HA SER 42 23.925 -2.049 -1.363 338 HB2 SER 42 2HB SER 42 23.940 -4.310 -2.387 339 HB3 SER 42 1HB SER 42 22.734 -3.778 -3.552 340 HG SER 42 HG SER 42 24.632 -3.419 -4.547 341 H GLN 43 H GLN 43 24.226 -0.269 -2.742 342 HA GLN 43 HA GLN 43 22.037 1.444 -3.099 343 HB2 GLN 43 2HB GLN 43 24.457 2.119 -2.935 344 HB3 GLN 43 1HB GLN 43 24.686 1.547 -4.582 345 HG2 GLN 43 2HG GLN 43 24.332 3.949 -4.666 346 HG3 GLN 43 1HG GLN 43 22.897 3.181 -5.326 347 HE21 GLN 43 1HE2 GLN 43 21.224 4.593 -4.698 348 HE22 GLN 43 2HE2 GLN 43 20.955 5.099 -3.100 349 H GLU 44 H GLU 44 23.590 -0.782 -5.371 350 HA GLU 44 HA GLU 44 22.325 0.048 -7.738 351 HB2 GLU 44 2HB GLU 44 23.305 -2.692 -6.860 352 HB3 GLU 44 1HB GLU 44 22.777 -2.337 -8.504 353 HG2 GLU 44 2HG GLU 44 25.196 -2.145 -8.403 354 HG3 GLU 44 1HG GLU 44 24.514 -0.541 -8.633 355 H ALA 45 H ALA 45 21.348 -2.432 -5.401 356 HA ALA 45 HA ALA 45 18.979 -3.240 -6.714 357 HB1 ALA 45 1HB ALA 45 20.042 -4.522 -4.888 358 HB2 ALA 45 2HB ALA 45 18.339 -4.210 -4.554 359 HB3 ALA 45 3HB ALA 45 19.587 -3.262 -3.742 360 H MET 46 H MET 46 19.624 -0.675 -4.386 361 HA MET 46 HA MET 46 16.931 0.082 -3.875 362 HB2 MET 46 2HB MET 46 19.528 1.636 -3.703 363 HB3 MET 46 1HB MET 46 17.990 2.205 -3.064 364 HG2 MET 46 2HG MET 46 19.142 -0.474 -2.222 365 HG3 MET 46 1HG MET 46 19.566 1.016 -1.381 366 HE1 MET 46 3HE MET 46 17.094 -0.968 0.898 367 HE2 MET 46 1HE MET 46 18.538 0.046 0.960 368 HE3 MET 46 2HE MET 46 18.506 -1.393 -0.056 369 H ASP 47 H ASP 47 19.310 1.141 -6.292 370 HA ASP 47 HA ASP 47 17.894 3.326 -7.330 371 HB2 ASP 47 2HB ASP 47 20.273 2.845 -7.796 372 HB3 ASP 47 1HB ASP 47 19.801 1.441 -8.747 373 H LYS 48 H LYS 48 17.573 -0.141 -7.919 374 HA LYS 48 HA LYS 48 15.939 0.087 -10.272 375 HB2 LYS 48 2HB LYS 48 16.373 -2.171 -8.285 376 HB3 LYS 48 1HB LYS 48 15.485 -2.333 -9.800 377 HG2 LYS 48 2HG LYS 48 17.497 -1.667 -11.064 378 HG3 LYS 48 1HG LYS 48 18.395 -1.489 -9.556 379 HD2 LYS 48 2HD LYS 48 18.034 -3.888 -9.061 380 HD3 LYS 48 1HD LYS 48 17.149 -4.066 -10.575 381 HE2 LYS 48 2HE LYS 48 19.169 -3.381 -11.835 382 HE3 LYS 48 1HE LYS 48 20.053 -3.217 -10.317 383 HZ1 LYS 48 3HZ LYS 48 20.601 -5.339 -10.707 384 HZ2 LYS 48 1HZ LYS 48 19.309 -5.601 -11.774 385 HZ3 LYS 48 2HZ LYS 48 19.055 -5.691 -10.097 386 H ILE 49 H ILE 49 15.358 -0.215 -6.787 387 HA ILE 49 HA ILE 49 12.447 -0.348 -7.102 388 HB ILE 49 HB ILE 49 14.102 -0.050 -4.555 389 HG12 ILE 49 2HG1 ILE 49 13.008 -2.632 -5.787 390 HG13 ILE 49 1HG1 ILE 49 14.683 -2.123 -5.945 391 HG21 ILE 49 1HG2 ILE 49 12.092 -0.948 -3.451 392 HG22 ILE 49 2HG2 ILE 49 11.278 -1.109 -5.006 393 HG23 ILE 49 3HG2 ILE 49 11.651 0.483 -4.370 394 HD11 ILE 49 3HD1 ILE 49 13.255 -2.686 -3.332 395 HD12 ILE 49 1HD1 ILE 49 14.916 -2.103 -3.477 396 HD13 ILE 49 2HD1 ILE 49 14.480 -3.700 -4.093 397 H ASP 50 H ASP 50 11.307 1.441 -7.454 398 HA ASP 50 HA ASP 50 12.207 4.104 -6.419 399 HB2 ASP 50 2HB ASP 50 10.424 3.439 -8.782 400 HB3 ASP 50 1HB ASP 50 10.910 5.057 -8.277 401 H SER 51 H SER 51 9.775 1.699 -6.354 402 HA SER 51 HA SER 51 8.344 2.888 -4.197 403 HB2 SER 51 2HB SER 51 6.170 3.278 -5.369 404 HB3 SER 51 1HB SER 51 7.424 4.383 -5.914 405 HG SER 51 HG SER 51 7.638 2.244 -7.412 406 H ILE 52 H ILE 52 6.479 1.555 -3.562 407 HA ILE 52 HA ILE 52 6.657 -1.257 -4.558 408 HB ILE 52 HB ILE 52 5.685 -0.279 -1.841 409 HG12 ILE 52 2HG1 ILE 52 8.061 0.250 -2.026 410 HG13 ILE 52 1HG1 ILE 52 7.864 -1.135 -0.966 411 HG21 ILE 52 1HG2 ILE 52 4.779 -2.463 -2.509 412 HG22 ILE 52 2HG2 ILE 52 5.965 -2.675 -1.225 413 HG23 ILE 52 3HG2 ILE 52 6.399 -3.040 -2.892 414 HD11 ILE 52 3HD1 ILE 52 8.950 -1.053 -3.781 415 HD12 ILE 52 1HD1 ILE 52 8.357 -2.567 -3.099 416 HD13 ILE 52 2HD1 ILE 52 9.691 -1.718 -2.334 417 H THR 53 H THR 53 4.968 -1.804 -5.787 418 HA THR 53 HA THR 53 2.323 -0.470 -5.454 419 HB THR 53 HB THR 53 3.389 -2.115 -7.790 420 HG1 THR 53 1HG THR 53 4.511 -0.332 -7.988 421 HG21 THR 53 3HG2 THR 53 1.491 -1.079 -9.005 422 HG22 THR 53 1HG2 THR 53 0.954 -0.319 -7.509 423 HG23 THR 53 2HG2 THR 53 0.927 -2.075 -7.668 424 H VAL 54 H VAL 54 0.737 -1.635 -4.496 425 HA VAL 54 HA VAL 54 0.851 -4.611 -4.528 426 HB VAL 54 HB VAL 54 -0.123 -2.853 -2.251 427 HG11 VAL 54 1HG1 VAL 54 0.298 -5.862 -2.493 428 HG12 VAL 54 2HG1 VAL 54 -1.249 -5.037 -2.306 429 HG13 VAL 54 3HG1 VAL 54 -0.081 -5.025 -0.988 430 HG21 VAL 54 3HG2 VAL 54 2.310 -2.653 -2.499 431 HG22 VAL 54 1HG2 VAL 54 2.473 -4.407 -2.591 432 HG23 VAL 54 2HG2 VAL 54 1.942 -3.645 -1.095 433 HA PRO 55 HA PRO 55 -3.292 -3.464 -6.179 434 HB2 PRO 55 2HB PRO 55 -4.013 -5.784 -7.388 435 HB3 PRO 55 1HB PRO 55 -2.719 -4.770 -8.072 436 HG2 PRO 55 2HG PRO 55 -2.458 -7.201 -6.305 437 HG3 PRO 55 1HG PRO 55 -1.614 -6.844 -7.831 438 HD2 PRO 55 2HD PRO 55 -0.467 -6.355 -5.384 439 HD3 PRO 55 1HD PRO 55 -0.115 -5.328 -6.797 440 H VAL 56 H VAL 56 -5.331 -3.654 -5.310 441 HA VAL 56 HA VAL 56 -5.846 -5.743 -3.241 442 HB VAL 56 HB VAL 56 -6.520 -2.780 -3.062 443 HG11 VAL 56 1HG1 VAL 56 -7.229 -3.404 -0.724 444 HG12 VAL 56 2HG1 VAL 56 -7.007 -5.101 -1.149 445 HG13 VAL 56 3HG1 VAL 56 -8.244 -4.140 -1.963 446 HG21 VAL 56 3HG2 VAL 56 -4.517 -4.477 -1.529 447 HG22 VAL 56 1HG2 VAL 56 -4.891 -2.785 -1.195 448 HG23 VAL 56 2HG2 VAL 56 -4.121 -3.233 -2.715 449 H ASP 57 H ASP 57 -7.644 -6.824 -3.615 450 HA ASP 57 HA ASP 57 -9.421 -6.188 -5.799 451 HB2 ASP 57 2HB ASP 57 -9.630 -8.267 -3.597 452 HB3 ASP 57 1HB ASP 57 -10.675 -8.193 -5.015 453 H ILE 58 H ILE 58 -11.191 -4.917 -5.719 454 HA ILE 58 HA ILE 58 -12.258 -4.011 -3.104 455 HB ILE 58 HB ILE 58 -13.282 -2.180 -4.451 456 HG12 ILE 58 2HG1 ILE 58 -11.650 -3.293 -6.779 457 HG13 ILE 58 1HG1 ILE 58 -13.390 -3.491 -6.634 458 HG21 ILE 58 1HG2 ILE 58 -11.176 -0.979 -4.893 459 HG22 ILE 58 2HG2 ILE 58 -10.290 -2.502 -4.864 460 HG23 ILE 58 3HG2 ILE 58 -11.055 -1.897 -3.395 461 HD11 ILE 58 3HD1 ILE 58 -11.923 -0.845 -6.823 462 HD12 ILE 58 1HD1 ILE 58 -13.664 -1.025 -6.593 463 HD13 ILE 58 2HD1 ILE 58 -12.906 -1.590 -8.080 464 H SER 59 H SER 59 -12.987 -6.038 -5.771 465 HA SER 59 HA SER 59 -15.783 -5.791 -5.918 466 HB2 SER 59 2HB SER 59 -14.435 -7.016 -7.571 467 HB3 SER 59 1HB SER 59 -14.067 -8.248 -6.366 468 HG SER 59 HG SER 59 -15.828 -8.884 -7.629 469 H GLN 60 H GLN 60 -13.758 -7.802 -3.797 470 HA GLN 60 HA GLN 60 -16.050 -9.078 -2.516 471 HB2 GLN 60 2HB GLN 60 -13.085 -9.122 -1.857 472 HB3 GLN 60 1HB GLN 60 -14.313 -10.150 -1.115 473 HG2 GLN 60 2HG GLN 60 -14.851 -11.118 -3.322 474 HG3 GLN 60 1HG GLN 60 -13.632 -10.091 -4.075 475 HE21 GLN 60 1HE2 GLN 60 -13.678 -13.076 -3.956 476 HE22 GLN 60 2HE2 GLN 60 -12.240 -13.525 -3.174 477 H VAL 61 H VAL 61 -14.585 -6.068 -2.262 478 HA VAL 61 HA VAL 61 -14.910 -5.763 0.655 479 HB VAL 61 HB VAL 61 -14.044 -3.755 -1.458 480 HG11 VAL 61 1HG1 VAL 61 -13.110 -2.532 0.528 481 HG12 VAL 61 2HG1 VAL 61 -13.895 -3.707 1.581 482 HG13 VAL 61 3HG1 VAL 61 -14.867 -2.639 0.571 483 HG21 VAL 61 3HG2 VAL 61 -12.509 -5.697 -1.290 484 HG22 VAL 61 1HG2 VAL 61 -12.401 -5.456 0.452 485 HG23 VAL 61 2HG2 VAL 61 -11.759 -4.238 -0.649 486 H THR 62 H THR 62 -16.978 -5.548 1.285 487 HA THR 62 HA THR 62 -18.739 -3.559 -0.077 488 HB THR 62 HB THR 62 -20.641 -5.041 0.364 489 HG1 THR 62 1HG THR 62 -20.315 -6.425 1.897 490 HG21 THR 62 3HG2 THR 62 -20.094 -6.815 -1.253 491 HG22 THR 62 1HG2 THR 62 -18.374 -6.486 -1.050 492 HG23 THR 62 2HG2 THR 62 -19.425 -5.273 -1.784 493 H GLU 63 H GLU 63 -17.041 -4.249 2.635 494 HA GLU 63 HA GLU 63 -18.784 -2.572 4.348 495 HB2 GLU 63 2HB GLU 63 -19.211 -4.974 4.905 496 HB3 GLU 63 1HB GLU 63 -17.508 -5.158 5.299 497 HG2 GLU 63 2HG GLU 63 -17.704 -3.461 7.069 498 HG3 GLU 63 1HG GLU 63 -19.389 -3.183 6.640 499 H ASP 64 H ASP 64 -17.642 -1.334 5.792 500 HA ASP 64 HA ASP 64 -14.984 -0.598 5.129 501 HB2 ASP 64 2HB ASP 64 -15.099 0.804 7.183 502 HB3 ASP 64 1HB ASP 64 -16.527 0.994 6.166 503 H THR 65 H THR 65 -13.048 -1.193 5.963 504 HA THR 65 HA THR 65 -12.692 -2.563 8.458 505 HB THR 65 HB THR 65 -13.631 -4.465 7.248 506 HG1 THR 65 1HG THR 65 -11.292 -5.545 7.050 507 HG21 THR 65 3HG2 THR 65 -11.416 -4.024 5.214 508 HG22 THR 65 1HG2 THR 65 -13.120 -3.657 4.945 509 HG23 THR 65 2HG2 THR 65 -12.604 -5.324 5.197 510 H SER 66 H SER 66 -10.384 -3.788 8.221 511 HA SER 66 HA SER 66 -8.477 -2.164 6.672 512 HB2 SER 66 2HB SER 66 -7.153 -1.589 8.639 513 HB3 SER 66 1HB SER 66 -8.792 -0.981 8.858 514 HG SER 66 HG SER 66 -9.069 -2.332 10.450 515 H LYS 67 H LYS 67 -6.598 -3.254 6.208 516 HA LYS 67 HA LYS 67 -6.149 -5.937 7.421 517 HB2 LYS 67 2HB LYS 67 -6.227 -5.356 4.439 518 HB3 LYS 67 1HB LYS 67 -5.726 -6.874 5.176 519 HG2 LYS 67 2HG LYS 67 -7.989 -7.082 6.226 520 HG3 LYS 67 1HG LYS 67 -8.470 -5.597 5.417 521 HD2 LYS 67 2HD LYS 67 -9.311 -7.258 3.937 522 HD3 LYS 67 1HD LYS 67 -7.781 -6.826 3.185 523 HE2 LYS 67 2HE LYS 67 -6.710 -8.803 4.226 524 HE3 LYS 67 1HE LYS 67 -8.224 -9.198 5.036 525 HZ1 LYS 67 3HZ LYS 67 -8.338 -10.505 3.183 526 HZ2 LYS 67 1HZ LYS 67 -7.526 -9.391 2.194 527 HZ3 LYS 67 2HZ LYS 67 -9.146 -9.117 2.626 528 H THR 68 H THR 68 -4.041 -6.524 7.603 529 HA THR 68 HA THR 68 -2.034 -4.426 7.278 530 HB THR 68 HB THR 68 -1.700 -7.292 8.256 531 HG1 THR 68 1HG THR 68 -1.593 -5.452 10.169 532 HG21 THR 68 3HG2 THR 68 0.023 -4.805 8.569 533 HG22 THR 68 1HG2 THR 68 0.430 -6.238 7.625 534 HG23 THR 68 2HG2 THR 68 0.312 -6.342 9.378 535 H LEU 69 H LEU 69 -0.599 -4.299 5.626 536 HA LEU 69 HA LEU 69 -0.538 -6.469 3.570 537 HB2 LEU 69 2HB LEU 69 0.139 -3.523 3.235 538 HB3 LEU 69 1HB LEU 69 -0.015 -4.733 1.959 539 HG LEU 69 HG LEU 69 -2.253 -3.739 3.771 540 HD11 LEU 69 1HD1 LEU 69 -1.532 -2.108 2.052 541 HD12 LEU 69 2HD1 LEU 69 -3.152 -2.722 1.720 542 HD13 LEU 69 3HD1 LEU 69 -1.774 -3.329 0.802 543 HD21 LEU 69 3HD2 LEU 69 -2.203 -5.891 1.619 544 HD22 LEU 69 1HD2 LEU 69 -3.700 -5.061 2.054 545 HD23 LEU 69 2HD2 LEU 69 -2.838 -5.994 3.263 546 H GLU 70 H GLU 70 1.207 -7.685 3.818 547 HA GLU 70 HA GLU 70 3.698 -6.657 4.967 548 HB2 GLU 70 2HB GLU 70 2.961 -9.385 3.841 549 HB3 GLU 70 1HB GLU 70 4.482 -8.999 4.650 550 HG2 GLU 70 2HG GLU 70 3.245 -8.382 6.695 551 HG3 GLU 70 1HG GLU 70 1.722 -8.757 5.893 552 H LEU 71 H LEU 71 5.315 -5.825 3.783 553 HA LEU 71 HA LEU 71 5.267 -6.088 0.813 554 HB2 LEU 71 2HB LEU 71 6.861 -4.104 2.482 555 HB3 LEU 71 1HB LEU 71 6.521 -4.033 0.755 556 HG LEU 71 HG LEU 71 4.481 -3.774 2.999 557 HD11 LEU 71 1HD1 LEU 71 5.927 -1.801 2.735 558 HD12 LEU 71 2HD1 LEU 71 4.282 -1.450 2.212 559 HD13 LEU 71 3HD1 LEU 71 5.542 -1.742 1.015 560 HD21 LEU 71 3HD2 LEU 71 4.152 -3.826 -0.026 561 HD22 LEU 71 1HD2 LEU 71 2.952 -3.083 1.034 562 HD23 LEU 71 2HD2 LEU 71 3.308 -4.795 1.182 563 H LYS 72 H LYS 72 6.857 -7.065 -0.261 564 HA LYS 72 HA LYS 72 9.402 -7.798 1.101 565 HB2 LYS 72 2HB LYS 72 9.254 -10.045 0.043 566 HB3 LYS 72 1HB LYS 72 7.955 -9.766 1.202 567 HG2 LYS 72 2HG LYS 72 6.429 -9.161 -0.667 568 HG3 LYS 72 1HG LYS 72 7.722 -9.494 -1.818 569 HD2 LYS 72 2HD LYS 72 7.832 -11.832 -1.038 570 HD3 LYS 72 1HD LYS 72 6.537 -11.510 0.115 571 HE2 LYS 72 2HE LYS 72 5.012 -10.949 -1.737 572 HE3 LYS 72 1HE LYS 72 6.303 -11.243 -2.901 573 HZ1 LYS 72 3HZ LYS 72 4.605 -13.108 -2.310 574 HZ2 LYS 72 1HZ LYS 72 5.622 -13.349 -0.974 575 HZ3 LYS 72 2HZ LYS 72 6.245 -13.484 -2.549 576 H ALA 73 H ALA 73 11.208 -7.732 -0.183 577 HA ALA 73 HA ALA 73 10.962 -7.305 -3.096 578 HB1 ALA 73 1HB ALA 73 10.901 -5.047 -2.142 579 HB2 ALA 73 2HB ALA 73 12.453 -5.314 -2.935 580 HB3 ALA 73 3HB ALA 73 12.331 -5.392 -1.177 581 H GLU 74 H GLU 74 12.609 -8.268 -4.182 582 HA GLU 74 HA GLU 74 14.545 -9.844 -2.664 583 HB2 GLU 74 2HB GLU 74 13.944 -9.634 -5.631 584 HB3 GLU 74 1HB GLU 74 15.096 -10.770 -4.923 585 HG2 GLU 74 2HG GLU 74 13.293 -11.756 -3.551 586 HG3 GLU 74 1HG GLU 74 12.139 -10.621 -4.242 587 H GLY 75 H GLY 75 16.432 -9.103 -2.089 588 HA2 GLY 75 2HA GLY 75 18.673 -8.484 -2.838 589 HA3 GLY 75 1HA GLY 75 17.968 -7.248 -3.865 590 H VAL 76 H VAL 76 16.070 -6.823 -1.373 591 HA VAL 76 HA VAL 76 17.955 -5.281 0.342 592 HB VAL 76 HB VAL 76 16.414 -3.388 0.372 593 HG11 VAL 76 1HG1 VAL 76 18.164 -3.470 -1.400 594 HG12 VAL 76 2HG1 VAL 76 16.741 -2.578 -1.917 595 HG13 VAL 76 3HG1 VAL 76 17.005 -4.224 -2.490 596 HG21 VAL 76 3HG2 VAL 76 14.740 -5.053 -1.558 597 HG22 VAL 76 1HG2 VAL 76 14.478 -3.332 -1.272 598 HG23 VAL 76 2HG2 VAL 76 14.254 -4.484 0.040 599 H THR 77 H THR 77 17.073 -4.795 2.447 600 HA THR 77 HA THR 77 15.121 -6.841 3.401 601 HB THR 77 HB THR 77 17.241 -5.324 4.976 602 HG1 THR 77 1HG THR 77 18.506 -6.999 4.653 603 HG21 THR 77 3HG2 THR 77 15.332 -6.054 6.354 604 HG22 THR 77 1HG2 THR 77 16.748 -7.042 6.704 605 HG23 THR 77 2HG2 THR 77 15.459 -7.680 5.686 606 H VAL 78 H VAL 78 13.167 -6.010 3.763 607 HA VAL 78 HA VAL 78 12.821 -3.135 4.448 608 HB VAL 78 HB VAL 78 11.710 -3.896 2.393 609 HG11 VAL 78 1HG1 VAL 78 10.184 -5.847 4.141 610 HG12 VAL 78 2HG1 VAL 78 11.457 -6.285 3.009 611 HG13 VAL 78 3HG1 VAL 78 9.958 -5.580 2.419 612 HG21 VAL 78 3HG2 VAL 78 10.597 -2.174 3.850 613 HG22 VAL 78 1HG2 VAL 78 9.671 -3.459 4.607 614 HG23 VAL 78 2HG2 VAL 78 9.450 -3.112 2.899 615 H GLN 79 H GLN 79 12.009 -2.563 6.399 616 HA GLN 79 HA GLN 79 10.458 -4.422 7.986 617 HB2 GLN 79 2HB GLN 79 12.053 -4.320 9.944 618 HB3 GLN 79 1HB GLN 79 12.609 -5.284 8.575 619 HG2 GLN 79 2HG GLN 79 13.998 -3.417 7.783 620 HG3 GLN 79 1HG GLN 79 13.414 -2.400 9.101 621 HE21 GLN 79 1HE2 GLN 79 16.225 -3.437 8.530 622 HE22 GLN 79 2HE2 GLN 79 16.682 -4.239 9.954 623 HA PRO 80 HA PRO 80 9.508 -4.372 10.260 624 HB2 PRO 80 2HB PRO 80 6.975 -3.635 11.030 625 HB3 PRO 80 1HB PRO 80 8.414 -3.140 11.954 626 HG2 PRO 80 2HG PRO 80 6.911 -1.579 9.850 627 HG3 PRO 80 1HG PRO 80 7.405 -1.055 11.479 628 HD2 PRO 80 2HD PRO 80 8.905 -0.400 9.303 629 HD3 PRO 80 1HD PRO 80 9.685 -0.807 10.849 630 H SER 81 H SER 81 8.436 -2.521 7.652 631 HA SER 81 HA SER 81 7.491 -3.031 5.647 632 HB2 SER 81 2HB SER 81 8.936 -5.211 6.181 633 HB3 SER 81 1HB SER 81 7.355 -5.979 6.246 634 HG SER 81 HG SER 81 6.951 -5.139 4.174 635 H THR 82 H THR 82 5.970 -3.626 8.547 636 HA THR 82 HA THR 82 3.367 -4.387 7.350 637 HB THR 82 HB THR 82 2.686 -4.649 9.739 638 HG1 THR 82 1HG THR 82 4.711 -3.114 10.158 639 HG21 THR 82 3HG2 THR 82 3.628 -6.582 8.547 640 HG22 THR 82 1HG2 THR 82 4.117 -6.603 10.242 641 HG23 THR 82 2HG2 THR 82 5.256 -6.084 9.002 642 H VAL 83 H VAL 83 1.712 -2.990 7.337 643 HA VAL 83 HA VAL 83 1.786 -0.423 8.781 644 HB VAL 83 HB VAL 83 1.211 0.827 6.662 645 HG11 VAL 83 1HG1 VAL 83 3.947 -0.509 6.521 646 HG12 VAL 83 2HG1 VAL 83 3.551 0.806 7.626 647 HG13 VAL 83 3HG1 VAL 83 3.503 1.073 5.886 648 HG21 VAL 83 3HG2 VAL 83 2.126 -1.755 5.333 649 HG22 VAL 83 1HG2 VAL 83 1.799 -0.242 4.492 650 HG23 VAL 83 2HG2 VAL 83 0.490 -1.100 5.296 651 H LYS 84 H LYS 84 -0.311 0.397 9.142 652 HA LYS 84 HA LYS 84 -2.494 -1.538 8.658 653 HB2 LYS 84 2HB LYS 84 -2.301 0.945 10.409 654 HB3 LYS 84 1HB LYS 84 -3.703 -0.127 10.313 655 HG2 LYS 84 2HG LYS 84 -2.331 -2.015 11.107 656 HG3 LYS 84 1HG LYS 84 -0.916 -0.963 11.193 657 HD2 LYS 84 2HD LYS 84 -2.056 0.455 12.859 658 HD3 LYS 84 1HD LYS 84 -3.485 -0.575 12.769 659 HE2 LYS 84 2HE LYS 84 -2.100 -1.166 14.720 660 HE3 LYS 84 1HE LYS 84 -2.154 -2.497 13.565 661 HZ1 LYS 84 3HZ LYS 84 0.099 -1.486 14.583 662 HZ2 LYS 84 1HZ LYS 84 -0.018 -0.586 13.150 663 HZ3 LYS 84 2HZ LYS 84 0.012 -2.283 13.086 664 H VAL 85 H VAL 85 -4.028 -1.119 7.192 665 HA VAL 85 HA VAL 85 -4.305 1.625 6.040 666 HB VAL 85 HB VAL 85 -4.513 -1.020 4.552 667 HG11 VAL 85 1HG1 VAL 85 -5.938 0.764 3.615 668 HG12 VAL 85 2HG1 VAL 85 -4.587 0.427 2.547 669 HG13 VAL 85 3HG1 VAL 85 -4.557 1.856 3.579 670 HG21 VAL 85 3HG2 VAL 85 -2.184 -0.550 5.188 671 HG22 VAL 85 1HG2 VAL 85 -2.323 1.089 4.554 672 HG23 VAL 85 2HG2 VAL 85 -2.395 -0.292 3.460 673 H ASN 86 H ASN 86 -6.291 2.403 6.253 674 HA ASN 86 HA ASN 86 -8.548 0.605 6.973 675 HB2 ASN 86 2HB ASN 86 -8.263 3.628 7.145 676 HB3 ASN 86 1HB ASN 86 -9.655 2.689 7.688 677 HD21 ASN 86 1HD2 ASN 86 -7.134 4.261 8.997 678 HD22 ASN 86 2HD2 ASN 86 -6.768 3.240 10.301 679 H LEU 87 H LEU 87 -9.981 0.119 5.438 680 HA LEU 87 HA LEU 87 -10.164 1.760 2.952 681 HB2 LEU 87 2HB LEU 87 -10.984 -1.139 3.390 682 HB3 LEU 87 1HB LEU 87 -10.892 -0.282 1.851 683 HG LEU 87 HG LEU 87 -8.525 -0.909 3.664 684 HD11 LEU 87 1HD1 LEU 87 -9.352 -2.106 0.998 685 HD12 LEU 87 2HD1 LEU 87 -9.469 -2.911 2.562 686 HD13 LEU 87 3HD1 LEU 87 -7.887 -2.508 1.896 687 HD21 LEU 87 3HD2 LEU 87 -8.020 1.112 2.424 688 HD22 LEU 87 1HD2 LEU 87 -8.703 0.448 0.941 689 HD23 LEU 87 2HD2 LEU 87 -7.197 -0.192 1.597 690 H LYS 88 H LYS 88 -11.789 3.206 3.308 691 HA LYS 88 HA LYS 88 -14.270 2.353 4.639 692 HB2 LYS 88 2HB LYS 88 -13.427 5.065 3.550 693 HB3 LYS 88 1HB LYS 88 -14.849 4.740 4.537 694 HG2 LYS 88 2HG LYS 88 -12.006 4.215 5.483 695 HG3 LYS 88 1HG LYS 88 -12.865 5.717 5.796 696 HD2 LYS 88 2HD LYS 88 -14.632 4.424 6.996 697 HD3 LYS 88 1HD LYS 88 -13.705 2.951 6.745 698 HE2 LYS 88 2HE LYS 88 -11.803 3.907 7.978 699 HE3 LYS 88 1HE LYS 88 -12.732 5.382 8.256 700 HZ1 LYS 88 3HZ LYS 88 -12.906 3.959 10.158 701 HZ2 LYS 88 1HZ LYS 88 -13.414 2.652 9.204 702 HZ3 LYS 88 2HZ LYS 88 -14.417 4.012 9.384 703 H VAL 89 H VAL 89 -15.992 1.803 3.568 704 HA VAL 89 HA VAL 89 -16.122 2.153 0.617 705 HB VAL 89 HB VAL 89 -16.054 -0.171 1.568 706 HG11 VAL 89 1HG1 VAL 89 -17.981 -1.077 2.719 707 HG12 VAL 89 2HG1 VAL 89 -18.798 0.472 2.696 708 HG13 VAL 89 3HG1 VAL 89 -17.327 0.266 3.649 709 HG21 VAL 89 3HG2 VAL 89 -17.083 0.245 -0.620 710 HG22 VAL 89 1HG2 VAL 89 -18.625 0.614 0.154 711 HG23 VAL 89 2HG2 VAL 89 -17.969 -1.022 0.226 712 H THR 90 H THR 90 -17.816 3.223 -0.281 713 HA THR 90 HA THR 90 -19.748 4.574 1.531 714 HB THR 90 HB THR 90 -19.057 5.126 -1.381 715 HG1 THR 90 1HG THR 90 -17.577 6.427 -0.641 716 HG21 THR 90 3HG2 THR 90 -21.295 5.948 -0.794 717 HG22 THR 90 1HG2 THR 90 -20.180 7.307 -0.909 718 HG23 THR 90 2HG2 THR 90 -20.661 6.695 0.671 719 H GLN 91 H GLN 91 -21.753 3.725 1.654 720 HA GLN 91 HA GLN 91 -22.660 1.673 -0.200 721 HB2 GLN 91 2HB GLN 91 -24.107 3.038 2.102 722 HB3 GLN 91 1HB GLN 91 -24.642 1.584 1.258 723 HG2 GLN 91 2HG GLN 91 -22.023 1.820 2.793 724 HG3 GLN 91 1HG GLN 91 -23.488 1.084 3.430 725 HE21 GLN 91 1HE2 GLN 91 -20.590 0.250 2.050 726 HE22 GLN 91 2HE2 GLN 91 -21.040 -1.218 1.330 727 H LYS 92 H LYS 92 -24.037 1.939 -1.886 728 HA LYS 92 HA LYS 92 -24.540 4.496 -2.969 729 HB2 LYS 92 2HB LYS 92 -24.469 2.314 -4.250 730 HB3 LYS 92 1HB LYS 92 -26.061 1.933 -3.600 731 HG2 LYS 92 2HG LYS 92 -26.980 3.984 -4.642 732 HG3 LYS 92 1HG LYS 92 -25.385 4.382 -5.272 733 HD2 LYS 92 2HD LYS 92 -25.379 2.269 -6.571 734 HD3 LYS 92 1HD LYS 92 -26.991 1.898 -5.956 735 HE2 LYS 92 2HE LYS 92 -26.238 4.306 -7.647 736 HE3 LYS 92 1HE LYS 92 -27.154 2.902 -8.193 737 HZ1 LYS 92 3HZ LYS 92 -28.067 5.198 -6.809 738 HZ2 LYS 92 1HZ LYS 92 -28.422 3.803 -5.912 739 HZ3 LYS 92 2HZ LYS 92 -28.969 3.944 -7.515 740 H LEU 93 H LEU 93 -26.300 5.848 -2.875 741 HA LEU 93 HA LEU 93 -28.046 5.640 -0.598 742 HB2 LEU 93 2HB LEU 93 -27.757 7.593 -2.893 743 HB3 LEU 93 1HB LEU 93 -29.099 7.749 -1.763 744 HG LEU 93 HG LEU 93 -27.522 7.955 0.118 745 HD11 LEU 93 1HD1 LEU 93 -25.048 8.299 -0.448 746 HD12 LEU 93 2HD1 LEU 93 -25.402 7.615 -2.036 747 HD13 LEU 93 3HD1 LEU 93 -25.636 6.648 -0.579 748 HD21 LEU 93 3HD2 LEU 93 -26.600 10.176 -0.484 749 HD22 LEU 93 1HD2 LEU 93 -28.248 9.992 -1.085 750 HD23 LEU 93 2HD2 LEU 93 -26.882 9.829 -2.191 751 H GLU 94 H GLU 94 -28.125 3.886 -3.237 752 HA GLU 94 HA GLU 94 -29.706 2.768 -4.491 753 HB2 GLU 94 2HB GLU 94 -31.311 3.253 -1.960 754 HB3 GLU 94 1HB GLU 94 -31.721 2.079 -3.211 755 HG2 GLU 94 2HG GLU 94 -29.593 0.900 -2.826 756 HG3 GLU 94 1HG GLU 94 -29.146 2.082 -1.600 757 H HIS 95 H HIS 95 -32.464 2.983 -4.701 758 HA HIS 95 HA HIS 95 -34.037 4.147 -5.916 759 HB2 HIS 95 2HB HIS 95 -33.039 6.380 -4.117 760 HB3 HIS 95 1HB HIS 95 -34.544 6.422 -5.034 761 HD2 HIS 95 2HD HIS 95 -36.555 4.574 -4.078 762 HE1 HIS 95 1HE HIS 95 -34.575 3.764 -0.439 763 HE2 HIS 95 2HE HIS 95 -36.759 3.500 -1.706 764 H HIS 96 H HIS 96 -32.042 7.040 -5.542 765 HA HIS 96 HA HIS 96 -32.137 7.683 -8.305 766 HB2 HIS 96 2HB HIS 96 -30.251 8.689 -6.144 767 HB3 HIS 96 1HB HIS 96 -30.520 9.453 -7.711 768 HD2 HIS 96 2HD HIS 96 -33.076 10.734 -7.985 769 HE1 HIS 96 1HE HIS 96 -34.142 10.357 -3.917 770 HE2 HIS 96 2HE HIS 96 -34.764 11.448 -6.124 771 H HIS 97 H HIS 97 -31.012 6.750 -9.917 772 HA HIS 97 HA HIS 97 -28.884 4.888 -9.460 773 HB2 HIS 97 2HB HIS 97 -30.441 4.747 -11.397 774 HB3 HIS 97 1HB HIS 97 -29.747 6.227 -12.051 775 HD2 HIS 97 2HD HIS 97 -27.805 5.597 -13.902 776 HE1 HIS 97 1HE HIS 97 -26.468 1.974 -12.196 777 HE2 HIS 97 2HE HIS 97 -26.144 3.594 -14.125 778 H HIS 98 H HIS 98 -26.737 5.127 -10.597 779 HA HIS 98 HA HIS 98 -25.310 7.322 -9.554 780 HB2 HIS 98 2HB HIS 98 -24.281 5.127 -10.091 781 HB3 HIS 98 1HB HIS 98 -24.507 5.448 -11.808 782 HD2 HIS 98 2HD HIS 98 -22.385 6.817 -12.947 783 HE1 HIS 98 1HE HIS 98 -20.627 8.260 -9.391 784 HE2 HIS 98 2HE HIS 98 -20.379 8.131 -11.914 785 H HIS 99 H HIS 99 -26.565 6.666 -12.810 786 HA HIS 99 HA HIS 99 -26.808 7.981 -14.672 787 HB2 HIS 99 2HB HIS 99 -28.335 9.173 -13.123 788 HB3 HIS 99 1HB HIS 99 -26.998 10.197 -12.604 789 HD2 HIS 99 2HD HIS 99 -29.419 9.826 -15.664 790 HE1 HIS 99 1HE HIS 99 -26.900 13.132 -16.410 791 HE2 HIS 99 2HE HIS 99 -28.944 11.866 -17.225 792 H HIS 100 H HIS 100 -24.780 7.710 -15.602 793 HA HIS 100 HA HIS 100 -22.406 9.030 -14.858 794 HB2 HIS 100 2HB HIS 100 -23.253 8.051 -17.604 795 HB3 HIS 100 1HB HIS 100 -21.601 8.420 -17.106 796 HD2 HIS 100 2HD HIS 100 -24.049 5.459 -17.010 797 HE1 HIS 100 1HE HIS 100 -20.886 4.477 -14.391 798 HE2 HIS 100 2HE HIS 100 -22.933 3.572 -15.590 Start of MODEL 3 1 H1 LYS 1 1HT LYS 1 20.123 6.515 12.790 2 H2 LYS 1 2HT LYS 1 18.611 7.262 12.579 3 H3 LYS 1 3HT LYS 1 19.657 7.788 13.811 4 HA LYS 1 HA LYS 1 19.608 8.480 11.014 5 HB2 LYS 1 2HB LYS 1 20.881 9.661 13.511 6 HB3 LYS 1 1HB LYS 1 20.829 10.464 11.941 7 HG2 LYS 1 2HG LYS 1 18.355 10.399 11.988 8 HG3 LYS 1 1HG LYS 1 18.407 9.604 13.562 9 HD2 LYS 1 2HD LYS 1 19.600 11.575 14.503 10 HD3 LYS 1 1HD LYS 1 19.498 12.368 12.931 11 HE2 LYS 1 2HE LYS 1 17.136 11.488 14.622 12 HE3 LYS 1 1HE LYS 1 17.691 13.149 14.414 13 HZ1 LYS 1 2HZ LYS 1 17.359 12.791 11.972 14 HZ2 LYS 1 3HZ LYS 1 15.936 12.826 12.899 15 HZ3 LYS 1 1HZ LYS 1 16.557 11.345 12.357 16 H ILE 2 H ILE 2 20.867 7.001 9.878 17 HA ILE 2 HA ILE 2 23.804 7.131 10.337 18 HB ILE 2 HB ILE 2 23.954 4.718 9.749 19 HG12 ILE 2 2HG1 ILE 2 20.915 4.715 10.065 20 HG13 ILE 2 1HG1 ILE 2 21.735 4.603 8.514 21 HG21 ILE 2 1HG2 ILE 2 22.152 5.280 12.133 22 HG22 ILE 2 2HG2 ILE 2 23.907 5.462 12.126 23 HG23 ILE 2 3HG2 ILE 2 23.186 3.868 11.930 24 HD11 ILE 2 3HD1 ILE 2 22.892 2.535 9.313 25 HD12 ILE 2 1HD1 ILE 2 21.138 2.370 9.242 26 HD13 ILE 2 2HD1 ILE 2 21.937 2.616 10.794 27 H SER 3 H SER 3 25.053 6.531 8.418 28 HA SER 3 HA SER 3 23.779 6.495 5.822 29 HB2 SER 3 2HB SER 3 25.330 8.973 6.632 30 HB3 SER 3 1HB SER 3 24.684 8.633 5.028 31 HG SER 3 HG SER 3 22.594 8.534 6.053 32 H LEU 4 H LEU 4 26.615 6.673 7.835 33 HA LEU 4 HA LEU 4 28.580 6.266 5.811 34 HB2 LEU 4 2HB LEU 4 28.864 7.049 8.282 35 HB3 LEU 4 1HB LEU 4 28.841 5.344 8.694 36 HG LEU 4 HG LEU 4 30.726 5.224 6.723 37 HD11 LEU 4 1HD1 LEU 4 30.561 7.649 6.204 38 HD12 LEU 4 2HD1 LEU 4 32.176 7.194 6.738 39 HD13 LEU 4 3HD1 LEU 4 31.085 8.024 7.846 40 HD21 LEU 4 3HD2 LEU 4 31.106 4.497 9.053 41 HD22 LEU 4 1HD2 LEU 4 31.323 6.176 9.550 42 HD23 LEU 4 2HD2 LEU 4 32.485 5.419 8.460 43 H ARG 5 H ARG 5 29.494 4.373 5.014 44 HA ARG 5 HA ARG 5 29.505 2.194 4.266 45 HB2 ARG 5 2HB ARG 5 28.875 1.731 7.202 46 HB3 ARG 5 1HB ARG 5 29.301 0.439 6.079 47 HG2 ARG 5 2HG ARG 5 31.472 1.508 5.636 48 HG3 ARG 5 1HG ARG 5 31.054 2.831 6.718 49 HD2 ARG 5 2HD ARG 5 32.472 1.210 7.893 50 HD3 ARG 5 1HD ARG 5 30.858 1.229 8.600 51 HE ARG 5 HE ARG 5 30.981 -0.753 6.571 52 HH11 ARG 5 1HH2 ARG 5 32.168 -0.043 9.755 53 HH12 ARG 5 2HH2 ARG 5 32.282 -1.704 10.229 54 HH21 ARG 5 1HH1 ARG 5 31.126 -2.928 7.197 55 HH22 ARG 5 2HH1 ARG 5 31.691 -3.336 8.783 56 H LYS 6 H LYS 6 27.052 1.486 6.700 57 HA LYS 6 HA LYS 6 25.323 0.195 4.861 58 HB2 LYS 6 2HB LYS 6 24.758 1.317 7.627 59 HB3 LYS 6 1HB LYS 6 23.692 0.221 6.744 60 HG2 LYS 6 2HG LYS 6 25.478 -1.485 6.690 61 HG3 LYS 6 1HG LYS 6 26.550 -0.392 7.570 62 HD2 LYS 6 2HD LYS 6 24.935 -0.366 9.467 63 HD3 LYS 6 1HD LYS 6 23.910 -1.504 8.589 64 HE2 LYS 6 2HE LYS 6 26.770 -2.007 9.474 65 HE3 LYS 6 1HE LYS 6 25.323 -2.705 10.205 66 HZ1 LYS 6 3HZ LYS 6 26.742 -3.546 7.901 67 HZ2 LYS 6 1HZ LYS 6 25.129 -3.205 7.501 68 HZ3 LYS 6 2HZ LYS 6 25.480 -4.327 8.727 69 H LEU 7 H LEU 7 23.711 0.960 3.622 70 HA LEU 7 HA LEU 7 23.033 3.861 3.713 71 HB2 LEU 7 2HB LEU 7 22.756 1.919 1.387 72 HB3 LEU 7 1HB LEU 7 22.545 3.670 1.343 73 HG LEU 7 HG LEU 7 25.146 2.203 1.938 74 HD11 LEU 7 1HD1 LEU 7 25.864 3.100 -0.250 75 HD12 LEU 7 2HD1 LEU 7 24.267 3.813 -0.484 76 HD13 LEU 7 3HD1 LEU 7 24.451 2.059 -0.424 77 HD21 LEU 7 3HD2 LEU 7 24.452 5.170 1.878 78 HD22 LEU 7 1HD2 LEU 7 26.105 4.606 1.619 79 HD23 LEU 7 2HD2 LEU 7 25.298 4.267 3.138 80 H SER 8 H SER 8 20.899 4.452 3.407 81 HA SER 8 HA SER 8 18.779 2.433 3.487 82 HB2 SER 8 2HB SER 8 19.296 2.664 5.862 83 HB3 SER 8 1HB SER 8 19.205 4.418 5.735 84 HG SER 8 HG SER 8 17.019 4.186 5.154 85 H LYS 9 H LYS 9 16.833 3.217 2.809 86 HA LYS 9 HA LYS 9 16.450 6.077 2.267 87 HB2 LYS 9 2HB LYS 9 16.526 3.969 0.080 88 HB3 LYS 9 1HB LYS 9 15.842 5.577 -0.130 89 HG2 LYS 9 2HG LYS 9 18.068 6.563 0.479 90 HG3 LYS 9 1HG LYS 9 18.723 4.939 0.585 91 HD2 LYS 9 2HD LYS 9 19.348 5.565 -1.596 92 HD3 LYS 9 1HD LYS 9 17.879 4.639 -1.877 93 HE2 LYS 9 2HE LYS 9 16.579 6.736 -2.068 94 HE3 LYS 9 1HE LYS 9 18.024 7.676 -1.697 95 HZ1 LYS 9 3HZ LYS 9 17.630 7.572 -4.069 96 HZ2 LYS 9 1HZ LYS 9 17.666 5.877 -4.030 97 HZ3 LYS 9 2HZ LYS 9 19.072 6.763 -3.673 98 H SER 10 H SER 10 14.301 6.443 1.340 99 HA SER 10 HA SER 10 12.288 4.598 2.541 100 HB2 SER 10 2HB SER 10 12.048 7.558 1.930 101 HB3 SER 10 1HB SER 10 10.855 6.549 2.745 102 HG SER 10 HG SER 10 11.979 6.688 4.516 103 H VAL 11 H VAL 11 10.685 3.816 1.328 104 HA VAL 11 HA VAL 11 10.376 4.640 -1.517 105 HB VAL 11 HB VAL 11 9.922 2.093 -1.892 106 HG11 VAL 11 1HG1 VAL 11 12.324 1.668 -2.291 107 HG12 VAL 11 2HG1 VAL 11 12.742 3.067 -1.308 108 HG13 VAL 11 3HG1 VAL 11 11.877 3.280 -2.828 109 HG21 VAL 11 3HG2 VAL 11 9.952 1.521 0.579 110 HG22 VAL 11 1HG2 VAL 11 11.667 1.914 0.606 111 HG23 VAL 11 2HG2 VAL 11 11.079 0.575 -0.376 112 HA PRO 12 HA PRO 12 6.257 4.907 0.599 113 HB2 PRO 12 2HB PRO 12 5.672 6.365 -1.996 114 HB3 PRO 12 1HB PRO 12 5.223 6.821 -0.335 115 HG2 PRO 12 2HG PRO 12 7.208 8.095 -1.526 116 HG3 PRO 12 1HG PRO 12 7.402 7.572 0.166 117 HD2 PRO 12 2HD PRO 12 8.490 6.226 -2.338 118 HD3 PRO 12 1HD PRO 12 9.318 6.577 -0.793 119 H VAL 13 H VAL 13 4.409 3.708 0.284 120 HA VAL 13 HA VAL 13 4.395 1.790 -1.983 121 HB VAL 13 HB VAL 13 4.313 0.870 0.319 122 HG11 VAL 13 1HG1 VAL 13 1.593 2.220 0.551 123 HG12 VAL 13 2HG1 VAL 13 3.052 2.755 1.374 124 HG13 VAL 13 3HG1 VAL 13 2.364 1.183 1.748 125 HG21 VAL 13 3HG2 VAL 13 1.711 0.467 -1.214 126 HG22 VAL 13 1HG2 VAL 13 2.410 -0.640 -0.041 127 HG23 VAL 13 2HG2 VAL 13 3.236 -0.345 -1.568 128 H LYS 14 H LYS 14 2.692 1.630 -3.368 129 HA LYS 14 HA LYS 14 0.519 3.681 -3.198 130 HB2 LYS 14 2HB LYS 14 1.980 2.596 -5.632 131 HB3 LYS 14 1HB LYS 14 0.577 3.665 -5.693 132 HG2 LYS 14 2HG LYS 14 1.831 5.381 -4.419 133 HG3 LYS 14 1HG LYS 14 3.238 4.318 -4.376 134 HD2 LYS 14 2HD LYS 14 3.366 4.353 -6.835 135 HD3 LYS 14 1HD LYS 14 1.935 5.383 -6.905 136 HE2 LYS 14 2HE LYS 14 3.990 6.730 -7.117 137 HE3 LYS 14 1HE LYS 14 3.133 7.134 -5.629 138 HZ1 LYS 14 3HZ LYS 14 4.687 6.099 -4.340 139 HZ2 LYS 14 1HZ LYS 14 5.680 6.637 -5.605 140 HZ3 LYS 14 2HZ LYS 14 5.164 5.019 -5.561 141 H LEU 15 H LEU 15 -1.493 2.918 -3.334 142 HA LEU 15 HA LEU 15 -1.939 0.005 -3.717 143 HB2 LEU 15 2HB LEU 15 -3.794 2.147 -2.608 144 HB3 LEU 15 1HB LEU 15 -4.084 0.407 -2.604 145 HG LEU 15 HG LEU 15 -1.806 1.807 -1.146 146 HD11 LEU 15 1HD1 LEU 15 -4.013 2.293 -0.152 147 HD12 LEU 15 2HD1 LEU 15 -3.077 1.232 0.902 148 HD13 LEU 15 3HD1 LEU 15 -4.375 0.566 -0.092 149 HD21 LEU 15 3HD2 LEU 15 -1.714 -0.538 0.029 150 HD22 LEU 15 1HD2 LEU 15 -1.018 -0.405 -1.577 151 HD23 LEU 15 2HD2 LEU 15 -2.616 -1.124 -1.368 152 H GLU 16 H GLU 16 -2.879 -0.718 -5.508 153 HA GLU 16 HA GLU 16 -4.195 1.208 -7.389 154 HB2 GLU 16 2HB GLU 16 -2.753 -1.412 -7.933 155 HB3 GLU 16 1HB GLU 16 -3.547 -0.411 -9.149 156 HG2 GLU 16 2HG GLU 16 -2.032 1.462 -8.612 157 HG3 GLU 16 1HG GLU 16 -1.241 0.478 -7.384 158 H LEU 17 H LEU 17 -6.356 1.012 -7.183 159 HA LEU 17 HA LEU 17 -7.682 -1.312 -6.160 160 HB2 LEU 17 2HB LEU 17 -8.874 1.003 -7.739 161 HB3 LEU 17 1HB LEU 17 -9.731 -0.088 -6.648 162 HG LEU 17 HG LEU 17 -7.553 1.880 -5.844 163 HD11 LEU 17 1HD1 LEU 17 -9.676 2.971 -6.455 164 HD12 LEU 17 2HD1 LEU 17 -9.400 3.081 -4.716 165 HD13 LEU 17 3HD1 LEU 17 -10.549 1.905 -5.353 166 HD21 LEU 17 3HD2 LEU 17 -9.144 -0.164 -4.241 167 HD22 LEU 17 1HD2 LEU 17 -8.434 1.257 -3.470 168 HD23 LEU 17 2HD2 LEU 17 -7.398 0.089 -4.267 169 H THR 18 H THR 18 -8.257 -3.103 -7.213 170 HA THR 18 HA THR 18 -8.582 -3.074 -10.182 171 HB THR 18 HB THR 18 -7.538 -5.306 -10.256 172 HG1 THR 18 1HG THR 18 -7.531 -6.285 -8.405 173 HG21 THR 18 3HG2 THR 18 -5.757 -3.291 -8.845 174 HG22 THR 18 1HG2 THR 18 -6.142 -3.246 -10.565 175 HG23 THR 18 2HG2 THR 18 -5.229 -4.599 -9.902 176 H GLY 19 H GLY 19 -10.162 -4.356 -10.987 177 HA2 GLY 19 2HA GLY 19 -11.751 -6.203 -10.779 178 HA3 GLY 19 1HA GLY 19 -11.992 -5.773 -9.089 179 H ASP 20 H ASP 20 -14.196 -6.009 -10.627 180 HA ASP 20 HA ASP 20 -15.024 -3.408 -11.702 181 HB2 ASP 20 2HB ASP 20 -17.166 -4.573 -12.139 182 HB3 ASP 20 1HB ASP 20 -15.797 -5.454 -12.810 183 H LYS 21 H LYS 21 -16.168 -1.891 -10.581 184 HA LYS 21 HA LYS 21 -16.431 -2.035 -7.755 185 HB2 LYS 21 2HB LYS 21 -17.715 -0.170 -9.784 186 HB3 LYS 21 1HB LYS 21 -17.760 0.079 -8.038 187 HG2 LYS 21 2HG LYS 21 -15.284 0.142 -7.990 188 HG3 LYS 21 1HG LYS 21 -15.247 -0.083 -9.740 189 HD2 LYS 21 2HD LYS 21 -16.499 2.026 -10.042 190 HD3 LYS 21 1HD LYS 21 -16.543 2.253 -8.294 191 HE2 LYS 21 2HE LYS 21 -14.071 2.326 -8.240 192 HE3 LYS 21 1HE LYS 21 -14.030 2.110 -9.991 193 HZ1 LYS 21 3HZ LYS 21 -15.606 4.163 -9.936 194 HZ2 LYS 21 1HZ LYS 21 -13.927 4.372 -9.819 195 HZ3 LYS 21 2HZ LYS 21 -14.888 4.436 -8.420 196 H ALA 22 H ALA 22 -18.114 -2.666 -6.470 197 HA ALA 22 HA ALA 22 -20.176 -4.319 -7.569 198 HB1 ALA 22 1HB ALA 22 -19.247 -4.689 -5.311 199 HB2 ALA 22 2HB ALA 22 -20.998 -4.491 -5.269 200 HB3 ALA 22 3HB ALA 22 -19.951 -3.168 -4.772 201 H SER 23 H SER 23 -22.489 -3.956 -6.715 202 HA SER 23 HA SER 23 -23.459 -1.510 -7.988 203 HB2 SER 23 2HB SER 23 -24.860 -3.911 -6.807 204 HB3 SER 23 1HB SER 23 -25.695 -2.571 -7.592 205 HG SER 23 HG SER 23 -24.465 -3.017 -9.463 206 H ASN 24 H ASN 24 -22.903 -2.640 -4.740 207 HA ASN 24 HA ASN 24 -24.716 -0.710 -3.491 208 HB2 ASN 24 2HB ASN 24 -24.558 -2.915 -2.514 209 HB3 ASN 24 1HB ASN 24 -22.804 -2.819 -2.463 210 HD21 ASN 24 1HD2 ASN 24 -21.860 -1.904 -0.635 211 HD22 ASN 24 2HD2 ASN 24 -22.731 -1.171 0.611 212 H VAL 25 H VAL 25 -21.389 -0.914 -4.468 213 HA VAL 25 HA VAL 25 -20.546 1.266 -2.651 214 HB VAL 25 HB VAL 25 -19.162 -0.825 -2.986 215 HG11 VAL 25 1HG1 VAL 25 -18.395 0.356 -5.685 216 HG12 VAL 25 2HG1 VAL 25 -19.592 -0.920 -5.525 217 HG13 VAL 25 3HG1 VAL 25 -17.932 -1.207 -5.015 218 HG21 VAL 25 3HG2 VAL 25 -17.862 1.808 -3.765 219 HG22 VAL 25 1HG2 VAL 25 -17.016 0.391 -3.145 220 HG23 VAL 25 2HG2 VAL 25 -18.160 1.248 -2.118 221 H SER 26 H SER 26 -20.416 3.324 -3.313 222 HA SER 26 HA SER 26 -20.773 3.990 -6.194 223 HB2 SER 26 2HB SER 26 -22.426 4.941 -4.649 224 HB3 SER 26 1HB SER 26 -21.137 5.677 -3.702 225 HG SER 26 HG SER 26 -21.250 7.257 -5.071 226 H SER 27 H SER 27 -18.611 4.261 -3.468 227 HA SER 27 HA SER 27 -16.413 5.118 -5.153 228 HB2 SER 27 2HB SER 27 -17.466 7.292 -4.676 229 HB3 SER 27 1HB SER 27 -17.416 6.947 -2.951 230 HG SER 27 HG SER 27 -15.569 8.107 -4.319 231 H ILE 28 H ILE 28 -14.387 4.944 -4.080 232 HA ILE 28 HA ILE 28 -14.401 3.592 -1.421 233 HB ILE 28 HB ILE 28 -12.728 2.827 -3.846 234 HG12 ILE 28 2HG1 ILE 28 -14.889 1.232 -2.402 235 HG13 ILE 28 1HG1 ILE 28 -15.186 2.119 -3.894 236 HG21 ILE 28 1HG2 ILE 28 -11.450 2.490 -1.771 237 HG22 ILE 28 2HG2 ILE 28 -11.992 0.921 -2.333 238 HG23 ILE 28 3HG2 ILE 28 -12.835 1.711 -1.005 239 HD11 ILE 28 3HD1 ILE 28 -13.194 -0.132 -3.543 240 HD12 ILE 28 1HD1 ILE 28 -13.441 0.779 -5.031 241 HD13 ILE 28 2HD1 ILE 28 -14.735 -0.237 -4.390 242 H SER 29 H SER 29 -12.928 4.324 -0.038 243 HA SER 29 HA SER 29 -10.685 6.056 -0.954 244 HB2 SER 29 2HB SER 29 -11.139 7.492 1.073 245 HB3 SER 29 1HB SER 29 -12.398 7.591 -0.157 246 HG SER 29 HG SER 29 -13.166 7.282 2.020 247 H TYR 30 H TYR 30 -8.909 6.068 0.479 248 HA TYR 30 HA TYR 30 -8.844 4.135 2.694 249 HB2 TYR 30 2HB TYR 30 -6.869 2.983 1.766 250 HB3 TYR 30 1HB TYR 30 -8.280 2.769 0.734 251 HD1 TYR 30 1HD TYR 30 -5.029 4.535 1.084 252 HD2 TYR 30 2HD TYR 30 -8.399 3.816 -1.493 253 HE1 TYR 30 1HE TYR 30 -3.801 5.548 -0.815 254 HE2 TYR 30 2HE TYR 30 -7.162 4.829 -3.387 255 HH TYR 30 HH TYR 30 -3.788 5.868 -3.035 256 H SER 31 H SER 31 -6.923 4.300 3.974 257 HA SER 31 HA SER 31 -5.210 6.677 3.577 258 HB2 SER 31 2HB SER 31 -7.109 7.518 4.890 259 HB3 SER 31 1HB SER 31 -6.901 6.211 6.051 260 HG SER 31 HG SER 31 -4.751 7.045 6.385 261 H PHE 32 H PHE 32 -3.503 6.750 5.274 262 HA PHE 32 HA PHE 32 -2.791 4.153 6.487 263 HB2 PHE 32 2HB PHE 32 -0.469 4.388 5.424 264 HB3 PHE 32 1HB PHE 32 -1.761 3.926 4.319 265 HD1 PHE 32 1HD PHE 32 0.200 6.874 5.558 266 HD2 PHE 32 2HD PHE 32 -2.314 5.342 2.419 267 HE1 PHE 32 1HE PHE 32 0.690 8.870 4.185 268 HE2 PHE 32 2HE PHE 32 -1.816 7.345 1.055 269 HZ PHE 32 HZ PHE 32 -0.316 9.108 1.935 270 H ASP 33 H ASP 33 -1.294 4.341 8.163 271 HA ASP 33 HA ASP 33 -1.322 6.801 9.623 272 HB2 ASP 33 2HB ASP 33 0.319 4.275 10.003 273 HB3 ASP 33 1HB ASP 33 0.207 5.584 11.178 274 H ARG 34 H ARG 34 1.008 5.239 7.489 275 HA ARG 34 HA ARG 34 2.576 7.715 7.300 276 HB2 ARG 34 2HB ARG 34 4.712 6.515 7.741 277 HB3 ARG 34 1HB ARG 34 3.669 6.584 9.161 278 HG2 ARG 34 2HG ARG 34 2.865 4.268 8.646 279 HG3 ARG 34 1HG ARG 34 3.997 4.203 7.297 280 HD2 ARG 34 2HD ARG 34 4.811 4.664 10.182 281 HD3 ARG 34 1HD ARG 34 4.898 3.114 9.349 282 HE ARG 34 HE ARG 34 6.270 5.000 7.788 283 HH11 ARG 34 1HH2 ARG 34 6.486 3.450 10.888 284 HH12 ARG 34 2HH2 ARG 34 8.214 3.537 10.958 285 HH21 ARG 34 1HH1 ARG 34 8.527 5.111 7.885 286 HH22 ARG 34 2HH1 ARG 34 9.369 4.478 9.259 287 H GLY 35 H GLY 35 2.050 4.377 6.270 288 HA2 GLY 35 2HA GLY 35 2.234 3.374 4.214 289 HA3 GLY 35 1HA GLY 35 1.865 4.964 3.559 290 H HIS 36 H HIS 36 4.710 4.493 5.532 291 HA HIS 36 HA HIS 36 6.498 4.345 3.170 292 HB2 HIS 36 2HB HIS 36 6.941 6.302 5.467 293 HB3 HIS 36 1HB HIS 36 7.860 6.176 3.964 294 HD2 HIS 36 2HD HIS 36 5.811 8.807 5.066 295 HE1 HIS 36 1HE HIS 36 3.926 7.969 1.388 296 HE2 HIS 36 2HE HIS 36 4.176 9.689 3.234 297 H VAL 37 H VAL 37 8.242 3.055 3.531 298 HA VAL 37 HA VAL 37 8.854 2.114 6.298 299 HB VAL 37 HB VAL 37 9.257 -0.155 5.324 300 HG11 VAL 37 1HG1 VAL 37 6.885 -0.776 5.129 301 HG12 VAL 37 2HG1 VAL 37 6.445 0.913 4.878 302 HG13 VAL 37 3HG1 VAL 37 7.103 0.391 6.430 303 HG21 VAL 37 3HG2 VAL 37 9.619 0.514 2.967 304 HG22 VAL 37 1HG2 VAL 37 7.944 1.050 2.854 305 HG23 VAL 37 2HG2 VAL 37 8.311 -0.659 3.077 306 H THR 38 H THR 38 11.039 1.254 6.503 307 HA THR 38 HA THR 38 12.964 2.742 4.802 308 HB THR 38 HB THR 38 13.360 1.463 7.539 309 HG1 THR 38 1HG THR 38 11.869 3.156 7.627 310 HG21 THR 38 3HG2 THR 38 14.998 3.477 5.959 311 HG22 THR 38 1HG2 THR 38 15.453 1.802 6.271 312 HG23 THR 38 2HG2 THR 38 15.347 2.951 7.603 313 H ILE 39 H ILE 39 14.407 1.668 3.572 314 HA ILE 39 HA ILE 39 14.589 -1.313 3.781 315 HB ILE 39 HB ILE 39 15.029 -1.275 1.328 316 HG12 ILE 39 2HG1 ILE 39 14.211 1.655 1.485 317 HG13 ILE 39 1HG1 ILE 39 15.867 1.129 1.247 318 HG21 ILE 39 1HG2 ILE 39 12.720 -1.611 2.254 319 HG22 ILE 39 2HG2 ILE 39 12.709 -0.891 0.657 320 HG23 ILE 39 3HG2 ILE 39 12.422 0.109 2.080 321 HD11 ILE 39 3HD1 ILE 39 13.559 0.495 -0.599 322 HD12 ILE 39 1HD1 ILE 39 15.242 0.032 -0.845 323 HD13 ILE 39 2HD1 ILE 39 14.777 1.734 -0.873 324 H VAL 40 H VAL 40 16.569 -2.257 3.580 325 HA VAL 40 HA VAL 40 18.985 -0.506 3.471 326 HB VAL 40 HB VAL 40 18.528 -2.787 5.434 327 HG11 VAL 40 1HG1 VAL 40 20.826 -0.822 5.080 328 HG12 VAL 40 2HG1 VAL 40 20.894 -2.564 4.819 329 HG13 VAL 40 3HG1 VAL 40 20.661 -1.929 6.443 330 HG21 VAL 40 3HG2 VAL 40 17.166 -0.822 6.014 331 HG22 VAL 40 1HG2 VAL 40 18.576 0.226 5.856 332 HG23 VAL 40 2HG2 VAL 40 18.507 -0.976 7.146 333 H GLY 41 H GLY 41 20.567 -1.269 2.195 334 HA2 GLY 41 2HA GLY 41 21.368 -3.868 1.716 335 HA3 GLY 41 1HA GLY 41 20.122 -3.559 0.512 336 H SER 42 H SER 42 21.814 -3.816 -1.088 337 HA SER 42 HA SER 42 24.053 -2.007 -1.239 338 HB2 SER 42 2HB SER 42 24.409 -2.977 -3.444 339 HB3 SER 42 1HB SER 42 24.006 -4.265 -2.311 340 HG SER 42 HG SER 42 22.846 -3.881 -4.535 341 H GLN 43 H GLN 43 24.330 -0.274 -2.720 342 HA GLN 43 HA GLN 43 22.098 1.448 -2.976 343 HB2 GLN 43 2HB GLN 43 24.691 1.956 -2.940 344 HB3 GLN 43 1HB GLN 43 24.592 1.766 -4.685 345 HG2 GLN 43 2HG GLN 43 22.986 3.728 -3.000 346 HG3 GLN 43 1HG GLN 43 24.334 4.131 -4.056 347 HE21 GLN 43 1HE2 GLN 43 21.096 4.423 -4.009 348 HE22 GLN 43 2HE2 GLN 43 20.737 4.205 -5.653 349 H GLU 44 H GLU 44 23.642 -0.797 -5.222 350 HA GLU 44 HA GLU 44 22.373 -0.007 -7.597 351 HB2 GLU 44 2HB GLU 44 23.322 -2.760 -6.729 352 HB3 GLU 44 1HB GLU 44 22.856 -2.341 -8.376 353 HG2 GLU 44 2HG GLU 44 25.261 -2.176 -8.242 354 HG3 GLU 44 1HG GLU 44 24.628 -0.540 -8.351 355 H ALA 45 H ALA 45 21.440 -2.614 -5.353 356 HA ALA 45 HA ALA 45 19.045 -3.310 -6.680 357 HB1 ALA 45 1HB ALA 45 19.741 -3.597 -3.742 358 HB2 ALA 45 2HB ALA 45 20.139 -4.755 -5.010 359 HB3 ALA 45 3HB ALA 45 18.453 -4.461 -4.588 360 H MET 46 H MET 46 19.715 -1.003 -4.091 361 HA MET 46 HA MET 46 17.006 -0.298 -3.540 362 HB2 MET 46 2HB MET 46 19.660 1.092 -3.048 363 HB3 MET 46 1HB MET 46 18.123 1.742 -2.475 364 HG2 MET 46 2HG MET 46 17.738 -0.190 -1.070 365 HG3 MET 46 1HG MET 46 19.074 -1.071 -1.800 366 HE1 MET 46 3HE MET 46 19.210 2.876 -0.630 367 HE2 MET 46 1HE MET 46 19.252 2.474 1.087 368 HE3 MET 46 2HE MET 46 17.902 1.945 0.094 369 H ASP 47 H ASP 47 19.459 1.028 -5.750 370 HA ASP 47 HA ASP 47 18.078 3.337 -6.536 371 HB2 ASP 47 2HB ASP 47 20.471 2.899 -6.989 372 HB3 ASP 47 1HB ASP 47 20.021 1.644 -8.136 373 H LYS 48 H LYS 48 17.812 -0.018 -7.655 374 HA LYS 48 HA LYS 48 16.255 0.542 -9.997 375 HB2 LYS 48 2HB LYS 48 16.631 -1.965 -8.323 376 HB3 LYS 48 1HB LYS 48 15.729 -1.932 -9.838 377 HG2 LYS 48 2HG LYS 48 17.728 -1.154 -11.041 378 HG3 LYS 48 1HG LYS 48 18.644 -1.129 -9.537 379 HD2 LYS 48 2HD LYS 48 18.298 -3.568 -9.284 380 HD3 LYS 48 1HD LYS 48 17.389 -3.591 -10.795 381 HE2 LYS 48 2HE LYS 48 19.381 -2.791 -12.014 382 HE3 LYS 48 1HE LYS 48 20.292 -2.752 -10.505 383 HZ1 LYS 48 3HZ LYS 48 19.235 -5.253 -10.558 384 HZ2 LYS 48 1HZ LYS 48 20.827 -4.844 -10.975 385 HZ3 LYS 48 2HZ LYS 48 19.642 -4.978 -12.185 386 H ILE 49 H ILE 49 15.528 -0.078 -6.611 387 HA ILE 49 HA ILE 49 12.629 -0.219 -7.047 388 HB ILE 49 HB ILE 49 14.194 -0.112 -4.431 389 HG12 ILE 49 2HG1 ILE 49 13.106 -2.575 -5.884 390 HG13 ILE 49 1HG1 ILE 49 14.791 -2.085 -5.954 391 HG21 ILE 49 1HG2 ILE 49 11.730 0.436 -4.285 392 HG22 ILE 49 2HG2 ILE 49 12.144 -1.050 -3.446 393 HG23 ILE 49 3HG2 ILE 49 11.374 -1.117 -5.029 394 HD11 ILE 49 3HD1 ILE 49 14.501 -3.789 -4.231 395 HD12 ILE 49 1HD1 ILE 49 13.269 -2.814 -3.434 396 HD13 ILE 49 2HD1 ILE 49 14.940 -2.257 -3.484 397 H ASP 50 H ASP 50 11.444 1.560 -7.242 398 HA ASP 50 HA ASP 50 12.268 4.127 -5.936 399 HB2 ASP 50 2HB ASP 50 12.420 4.152 -8.417 400 HB3 ASP 50 1HB ASP 50 10.713 3.732 -8.515 401 H SER 51 H SER 51 9.872 1.693 -6.252 402 HA SER 51 HA SER 51 8.239 2.780 -4.182 403 HB2 SER 51 2HB SER 51 6.181 3.156 -5.537 404 HB3 SER 51 1HB SER 51 7.454 4.299 -5.944 405 HG SER 51 HG SER 51 6.466 2.107 -7.388 406 H ILE 52 H ILE 52 6.230 1.390 -3.901 407 HA ILE 52 HA ILE 52 6.575 -1.366 -5.004 408 HB ILE 52 HB ILE 52 5.852 -0.603 -2.153 409 HG12 ILE 52 2HG1 ILE 52 8.329 -1.993 -3.271 410 HG13 ILE 52 1HG1 ILE 52 8.285 -0.303 -2.780 411 HG21 ILE 52 1HG2 ILE 52 5.980 -3.096 -1.781 412 HG22 ILE 52 2HG2 ILE 52 6.172 -3.314 -3.517 413 HG23 ILE 52 3HG2 ILE 52 4.674 -2.653 -2.867 414 HD11 ILE 52 3HD1 ILE 52 9.208 -1.600 -0.966 415 HD12 ILE 52 1HD1 ILE 52 7.843 -2.712 -1.008 416 HD13 ILE 52 2HD1 ILE 52 7.606 -1.046 -0.483 417 H THR 53 H THR 53 4.793 -2.119 -5.958 418 HA THR 53 HA THR 53 2.179 -0.738 -5.559 419 HB THR 53 HB THR 53 2.826 -0.693 -7.878 420 HG1 THR 53 1HG THR 53 0.667 -1.593 -7.126 421 HG21 THR 53 3HG2 THR 53 3.418 -2.710 -9.140 422 HG22 THR 53 1HG2 THR 53 3.258 -3.694 -7.692 423 HG23 THR 53 2HG2 THR 53 4.541 -2.492 -7.803 424 H VAL 54 H VAL 54 0.512 -1.802 -4.662 425 HA VAL 54 HA VAL 54 0.631 -4.762 -4.304 426 HB VAL 54 HB VAL 54 -0.227 -2.726 -2.210 427 HG11 VAL 54 1HG1 VAL 54 -0.199 -4.729 -0.711 428 HG12 VAL 54 2HG1 VAL 54 0.156 -5.747 -2.106 429 HG13 VAL 54 3HG1 VAL 54 -1.385 -4.896 -2.004 430 HG21 VAL 54 3HG2 VAL 54 1.857 -3.426 -1.032 431 HG22 VAL 54 1HG2 VAL 54 2.206 -2.623 -2.560 432 HG23 VAL 54 2HG2 VAL 54 2.318 -4.379 -2.438 433 HA PRO 55 HA PRO 55 -3.422 -3.462 -6.243 434 HB2 PRO 55 2HB PRO 55 -3.348 -6.410 -6.942 435 HB3 PRO 55 1HB PRO 55 -3.803 -5.032 -7.971 436 HG2 PRO 55 2HG PRO 55 -1.444 -6.174 -8.323 437 HG3 PRO 55 1HG PRO 55 -1.556 -4.397 -8.309 438 HD2 PRO 55 2HD PRO 55 -0.653 -6.224 -6.052 439 HD3 PRO 55 1HD PRO 55 0.099 -4.717 -6.642 440 H VAL 56 H VAL 56 -5.456 -3.667 -5.366 441 HA VAL 56 HA VAL 56 -5.948 -5.731 -3.265 442 HB VAL 56 HB VAL 56 -6.727 -2.792 -3.151 443 HG11 VAL 56 1HG1 VAL 56 -7.426 -3.397 -0.804 444 HG12 VAL 56 2HG1 VAL 56 -7.138 -5.092 -1.196 445 HG13 VAL 56 3HG1 VAL 56 -8.402 -4.194 -2.036 446 HG21 VAL 56 3HG2 VAL 56 -4.665 -4.378 -1.579 447 HG22 VAL 56 1HG2 VAL 56 -5.117 -2.701 -1.265 448 HG23 VAL 56 2HG2 VAL 56 -4.321 -3.130 -2.774 449 H ASP 57 H ASP 57 -7.745 -6.837 -3.596 450 HA ASP 57 HA ASP 57 -9.518 -6.275 -5.827 451 HB2 ASP 57 2HB ASP 57 -9.634 -8.379 -3.637 452 HB3 ASP 57 1HB ASP 57 -10.687 -8.338 -5.049 453 H ILE 58 H ILE 58 -11.273 -4.974 -5.711 454 HA ILE 58 HA ILE 58 -12.373 -4.170 -3.082 455 HB ILE 58 HB ILE 58 -13.464 -2.358 -4.403 456 HG12 ILE 58 2HG1 ILE 58 -11.812 -3.415 -6.741 457 HG13 ILE 58 1HG1 ILE 58 -13.547 -3.649 -6.598 458 HG21 ILE 58 1HG2 ILE 58 -10.462 -2.614 -4.812 459 HG22 ILE 58 2HG2 ILE 58 -11.249 -2.006 -3.358 460 HG23 ILE 58 3HG2 ILE 58 -11.371 -1.105 -4.865 461 HD11 ILE 58 3HD1 ILE 58 -12.106 -0.993 -6.809 462 HD12 ILE 58 1HD1 ILE 58 -13.836 -1.167 -6.515 463 HD13 ILE 58 2HD1 ILE 58 -13.137 -1.737 -8.030 464 H SER 59 H SER 59 -13.003 -6.284 -5.645 465 HA SER 59 HA SER 59 -15.798 -6.111 -5.907 466 HB2 SER 59 2HB SER 59 -14.369 -7.394 -7.445 467 HB3 SER 59 1HB SER 59 -14.016 -8.550 -6.165 468 HG SER 59 HG SER 59 -16.259 -8.243 -7.725 469 H GLN 60 H GLN 60 -13.802 -7.948 -3.611 470 HA GLN 60 HA GLN 60 -16.119 -9.191 -2.339 471 HB2 GLN 60 2HB GLN 60 -13.723 -10.194 -2.703 472 HB3 GLN 60 1HB GLN 60 -13.254 -9.236 -1.308 473 HG2 GLN 60 2HG GLN 60 -13.829 -11.421 -0.457 474 HG3 GLN 60 1HG GLN 60 -15.180 -10.377 -0.033 475 HE21 GLN 60 1HE2 GLN 60 -14.255 -12.224 -3.004 476 HE22 GLN 60 2HE2 GLN 60 -15.772 -12.965 -3.185 477 H VAL 61 H VAL 61 -14.678 -6.169 -2.185 478 HA VAL 61 HA VAL 61 -15.055 -5.736 0.712 479 HB VAL 61 HB VAL 61 -14.145 -3.813 -1.461 480 HG11 VAL 61 1HG1 VAL 61 -15.005 -2.626 0.511 481 HG12 VAL 61 2HG1 VAL 61 -13.249 -2.516 0.492 482 HG13 VAL 61 3HG1 VAL 61 -14.048 -3.654 1.577 483 HG21 VAL 61 3HG2 VAL 61 -12.606 -5.738 -1.205 484 HG22 VAL 61 1HG2 VAL 61 -12.544 -5.457 0.536 485 HG23 VAL 61 2HG2 VAL 61 -11.875 -4.263 -0.577 486 H THR 62 H THR 62 -17.149 -5.531 1.265 487 HA THR 62 HA THR 62 -18.852 -3.553 -0.184 488 HB THR 62 HB THR 62 -20.776 -5.018 0.148 489 HG1 THR 62 1HG THR 62 -20.648 -6.570 1.527 490 HG21 THR 62 3HG2 THR 62 -19.430 -5.295 -1.919 491 HG22 THR 62 1HG2 THR 62 -20.155 -6.819 -1.409 492 HG23 THR 62 2HG2 THR 62 -18.447 -6.512 -1.105 493 H GLU 63 H GLU 63 -17.266 -4.207 2.589 494 HA GLU 63 HA GLU 63 -19.054 -2.499 4.192 495 HB2 GLU 63 2HB GLU 63 -19.669 -4.860 4.692 496 HB3 GLU 63 1HB GLU 63 -18.020 -5.149 5.225 497 HG2 GLU 63 2HG GLU 63 -18.266 -3.441 6.986 498 HG3 GLU 63 1HG GLU 63 -19.891 -3.071 6.421 499 H ASP 64 H ASP 64 -17.973 -1.303 5.713 500 HA ASP 64 HA ASP 64 -15.308 -0.550 5.329 501 HB2 ASP 64 2HB ASP 64 -16.898 -0.421 7.917 502 HB3 ASP 64 1HB ASP 64 -15.435 0.498 7.570 503 H THR 65 H THR 65 -13.346 -1.303 6.009 504 HA THR 65 HA THR 65 -12.988 -3.016 8.282 505 HB THR 65 HB THR 65 -13.970 -4.697 6.799 506 HG1 THR 65 1HG THR 65 -12.205 -5.282 8.132 507 HG21 THR 65 3HG2 THR 65 -13.395 -3.568 4.638 508 HG22 THR 65 1HG2 THR 65 -12.955 -5.275 4.655 509 HG23 THR 65 2HG2 THR 65 -11.713 -4.046 4.870 510 H SER 66 H SER 66 -10.693 -4.205 7.860 511 HA SER 66 HA SER 66 -8.766 -2.431 6.510 512 HB2 SER 66 2HB SER 66 -7.442 -2.148 8.606 513 HB3 SER 66 1HB SER 66 -9.014 -1.361 8.698 514 HG SER 66 HG SER 66 -8.691 -4.024 9.552 515 H LYS 67 H LYS 67 -6.785 -3.406 6.126 516 HA LYS 67 HA LYS 67 -6.328 -6.172 7.083 517 HB2 LYS 67 2HB LYS 67 -5.829 -6.888 4.711 518 HB3 LYS 67 1HB LYS 67 -7.528 -6.539 5.023 519 HG2 LYS 67 2HG LYS 67 -7.334 -4.340 3.980 520 HG3 LYS 67 1HG LYS 67 -5.595 -4.535 3.795 521 HD2 LYS 67 2HD LYS 67 -6.679 -4.985 1.656 522 HD3 LYS 67 1HD LYS 67 -5.982 -6.475 2.281 523 HE2 LYS 67 2HE LYS 67 -8.139 -7.352 2.868 524 HE3 LYS 67 1HE LYS 67 -8.905 -5.763 2.759 525 HZ1 LYS 67 3HZ LYS 67 -9.101 -7.482 0.832 526 HZ2 LYS 67 1HZ LYS 67 -7.584 -6.865 0.387 527 HZ3 LYS 67 2HZ LYS 67 -8.922 -5.826 0.498 528 H THR 68 H THR 68 -4.235 -6.775 7.184 529 HA THR 68 HA THR 68 -2.214 -4.648 7.033 530 HB THR 68 HB THR 68 -2.043 -5.976 9.020 531 HG1 THR 68 1HG THR 68 -0.095 -5.640 7.643 532 HG21 THR 68 3HG2 THR 68 -2.122 -8.420 7.218 533 HG22 THR 68 1HG2 THR 68 -3.382 -7.915 8.344 534 HG23 THR 68 2HG2 THR 68 -1.819 -8.448 8.950 535 H LEU 69 H LEU 69 -0.724 -4.454 5.463 536 HA LEU 69 HA LEU 69 -0.554 -6.536 3.323 537 HB2 LEU 69 2HB LEU 69 -0.047 -3.544 3.123 538 HB3 LEU 69 1HB LEU 69 -0.050 -4.704 1.791 539 HG LEU 69 HG LEU 69 -2.441 -3.975 3.524 540 HD11 LEU 69 1HD1 LEU 69 -1.798 -3.323 0.626 541 HD12 LEU 69 2HD1 LEU 69 -1.774 -2.180 1.969 542 HD13 LEU 69 3HD1 LEU 69 -3.296 -2.908 1.460 543 HD21 LEU 69 3HD2 LEU 69 -3.678 -5.276 1.608 544 HD22 LEU 69 1HD2 LEU 69 -2.860 -6.217 2.846 545 HD23 LEU 69 2HD2 LEU 69 -2.101 -5.992 1.269 546 H GLU 70 H GLU 70 1.316 -7.589 3.273 547 HA GLU 70 HA GLU 70 3.684 -6.570 4.648 548 HB2 GLU 70 2HB GLU 70 4.662 -8.773 4.063 549 HB3 GLU 70 1HB GLU 70 3.128 -8.923 4.916 550 HG2 GLU 70 2HG GLU 70 1.977 -9.243 2.711 551 HG3 GLU 70 1HG GLU 70 3.547 -9.200 1.915 552 H LEU 71 H LEU 71 5.414 -5.669 3.709 553 HA LEU 71 HA LEU 71 5.534 -5.448 0.727 554 HB2 LEU 71 2HB LEU 71 6.749 -3.550 2.776 555 HB3 LEU 71 1HB LEU 71 6.581 -3.294 1.037 556 HG LEU 71 HG LEU 71 4.312 -3.484 3.063 557 HD11 LEU 71 1HD1 LEU 71 5.571 -1.371 3.162 558 HD12 LEU 71 2HD1 LEU 71 3.966 -1.096 2.493 559 HD13 LEU 71 3HD1 LEU 71 5.368 -1.153 1.425 560 HD21 LEU 71 3HD2 LEU 71 2.893 -2.731 1.074 561 HD22 LEU 71 1HD2 LEU 71 3.456 -4.390 0.994 562 HD23 LEU 71 2HD2 LEU 71 4.257 -3.143 0.035 563 H LYS 72 H LYS 72 7.044 -6.739 -0.086 564 HA LYS 72 HA LYS 72 9.688 -7.012 1.259 565 HB2 LYS 72 2HB LYS 72 8.013 -9.226 0.022 566 HB3 LYS 72 1HB LYS 72 9.680 -9.410 0.573 567 HG2 LYS 72 2HG LYS 72 8.996 -8.791 2.867 568 HG3 LYS 72 1HG LYS 72 7.328 -8.602 2.320 569 HD2 LYS 72 2HD LYS 72 7.299 -10.999 1.639 570 HD3 LYS 72 1HD LYS 72 8.947 -11.175 2.244 571 HE2 LYS 72 2HE LYS 72 6.530 -10.375 3.898 572 HE3 LYS 72 1HE LYS 72 7.319 -11.952 3.924 573 HZ1 LYS 72 3HZ LYS 72 9.375 -10.822 4.617 574 HZ2 LYS 72 1HZ LYS 72 8.119 -10.634 5.740 575 HZ3 LYS 72 2HZ LYS 72 8.526 -9.353 4.701 576 H ALA 73 H ALA 73 11.420 -7.337 -0.153 577 HA ALA 73 HA ALA 73 10.989 -7.251 -3.067 578 HB1 ALA 73 1HB ALA 73 12.487 -5.286 -3.296 579 HB2 ALA 73 2HB ALA 73 12.521 -5.124 -1.539 580 HB3 ALA 73 3HB ALA 73 11.013 -4.882 -2.415 581 H GLU 74 H GLU 74 12.696 -8.129 -4.210 582 HA GLU 74 HA GLU 74 14.609 -9.707 -2.663 583 HB2 GLU 74 2HB GLU 74 14.039 -9.517 -5.640 584 HB3 GLU 74 1HB GLU 74 15.183 -10.647 -4.912 585 HG2 GLU 74 2HG GLU 74 13.375 -11.634 -3.562 586 HG3 GLU 74 1HG GLU 74 12.220 -10.497 -4.251 587 H GLY 75 H GLY 75 16.489 -8.952 -2.070 588 HA2 GLY 75 2HA GLY 75 18.740 -8.333 -2.849 589 HA3 GLY 75 1HA GLY 75 18.019 -7.061 -3.819 590 H VAL 76 H VAL 76 16.126 -6.674 -1.347 591 HA VAL 76 HA VAL 76 18.019 -5.232 0.445 592 HB VAL 76 HB VAL 76 16.485 -3.313 0.497 593 HG11 VAL 76 1HG1 VAL 76 16.954 -2.442 -1.761 594 HG12 VAL 76 2HG1 VAL 76 17.281 -4.079 -2.333 595 HG13 VAL 76 3HG1 VAL 76 18.343 -3.331 -1.141 596 HG21 VAL 76 3HG2 VAL 76 14.948 -4.845 -1.641 597 HG22 VAL 76 1HG2 VAL 76 14.649 -3.159 -1.217 598 HG23 VAL 76 2HG2 VAL 76 14.352 -4.427 -0.033 599 H THR 77 H THR 77 17.066 -4.736 2.549 600 HA THR 77 HA THR 77 15.153 -6.848 3.432 601 HB THR 77 HB THR 77 17.072 -5.144 5.076 602 HG1 THR 77 1HG THR 77 17.574 -7.140 3.465 603 HG21 THR 77 3HG2 THR 77 15.436 -7.616 5.757 604 HG22 THR 77 1HG2 THR 77 15.154 -5.989 6.380 605 HG23 THR 77 2HG2 THR 77 16.621 -6.859 6.820 606 H VAL 78 H VAL 78 13.112 -6.077 3.474 607 HA VAL 78 HA VAL 78 12.572 -3.230 4.005 608 HB VAL 78 HB VAL 78 10.544 -5.438 3.434 609 HG11 VAL 78 1HG1 VAL 78 10.503 -2.435 2.952 610 HG12 VAL 78 2HG1 VAL 78 9.644 -3.278 4.239 611 HG13 VAL 78 3HG1 VAL 78 9.202 -3.558 2.556 612 HG21 VAL 78 3HG2 VAL 78 10.713 -4.785 1.037 613 HG22 VAL 78 1HG2 VAL 78 12.203 -5.512 1.627 614 HG23 VAL 78 2HG2 VAL 78 12.095 -3.770 1.426 615 H GLN 79 H GLN 79 11.958 -2.486 5.981 616 HA GLN 79 HA GLN 79 10.614 -4.278 7.876 617 HB2 GLN 79 2HB GLN 79 12.234 -3.642 9.706 618 HB3 GLN 79 1HB GLN 79 12.908 -4.704 8.468 619 HG2 GLN 79 2HG GLN 79 13.941 -2.775 7.341 620 HG3 GLN 79 1HG GLN 79 13.245 -1.684 8.538 621 HE21 GLN 79 1HE2 GLN 79 16.138 -2.949 7.810 622 HE22 GLN 79 2HE2 GLN 79 16.783 -3.183 9.362 623 HA PRO 80 HA PRO 80 9.711 -4.011 10.105 624 HB2 PRO 80 2HB PRO 80 7.180 -3.476 10.975 625 HB3 PRO 80 1HB PRO 80 8.589 -2.659 11.689 626 HG2 PRO 80 2HG PRO 80 6.757 -1.662 9.509 627 HG3 PRO 80 1HG PRO 80 7.265 -0.827 10.998 628 HD2 PRO 80 2HD PRO 80 8.529 -0.340 8.630 629 HD3 PRO 80 1HD PRO 80 9.441 -0.371 10.158 630 H SER 81 H SER 81 8.604 -2.793 7.275 631 HA SER 81 HA SER 81 7.514 -3.594 5.436 632 HB2 SER 81 2HB SER 81 9.141 -5.354 5.442 633 HB3 SER 81 1HB SER 81 8.365 -6.172 6.783 634 HG SER 81 HG SER 81 7.996 -6.691 4.312 635 H THR 82 H THR 82 5.954 -3.165 8.013 636 HA THR 82 HA THR 82 3.450 -4.472 7.105 637 HB THR 82 HB THR 82 2.854 -4.814 9.537 638 HG1 THR 82 1HG THR 82 4.461 -3.341 10.317 639 HG21 THR 82 3HG2 THR 82 3.669 -6.696 8.163 640 HG22 THR 82 1HG2 THR 82 4.217 -6.843 9.833 641 HG23 THR 82 2HG2 THR 82 5.334 -6.286 8.587 642 H VAL 83 H VAL 83 1.727 -3.160 7.198 643 HA VAL 83 HA VAL 83 1.747 -0.637 8.716 644 HB VAL 83 HB VAL 83 1.093 0.677 6.675 645 HG11 VAL 83 1HG1 VAL 83 3.462 0.665 7.549 646 HG12 VAL 83 2HG1 VAL 83 3.348 0.995 5.823 647 HG13 VAL 83 3HG1 VAL 83 3.845 -0.598 6.379 648 HG21 VAL 83 3HG2 VAL 83 1.988 -1.839 5.212 649 HG22 VAL 83 1HG2 VAL 83 1.638 -0.293 4.439 650 HG23 VAL 83 2HG2 VAL 83 0.351 -1.186 5.243 651 H LYS 84 H LYS 84 -0.384 0.279 8.901 652 HA LYS 84 HA LYS 84 -2.562 -1.701 8.494 653 HB2 LYS 84 2HB LYS 84 -2.302 0.702 10.329 654 HB3 LYS 84 1HB LYS 84 -3.750 -0.298 10.212 655 HG2 LYS 84 2HG LYS 84 -1.066 -1.581 10.844 656 HG3 LYS 84 1HG LYS 84 -1.995 -0.814 12.124 657 HD2 LYS 84 2HD LYS 84 -3.915 -2.296 11.633 658 HD3 LYS 84 1HD LYS 84 -3.001 -3.075 10.349 659 HE2 LYS 84 2HE LYS 84 -2.908 -4.403 12.424 660 HE3 LYS 84 1HE LYS 84 -1.307 -3.811 11.980 661 HZ1 LYS 84 3HZ LYS 84 -1.219 -2.460 13.753 662 HZ2 LYS 84 1HZ LYS 84 -2.382 -3.512 14.400 663 HZ3 LYS 84 2HZ LYS 84 -2.866 -2.053 13.675 664 H VAL 85 H VAL 85 -4.146 -1.270 7.161 665 HA VAL 85 HA VAL 85 -4.498 1.476 6.038 666 HB VAL 85 HB VAL 85 -4.670 -1.138 4.506 667 HG11 VAL 85 1HG1 VAL 85 -4.781 0.367 2.522 668 HG12 VAL 85 2HG1 VAL 85 -4.835 1.755 3.608 669 HG13 VAL 85 3HG1 VAL 85 -6.154 0.589 3.598 670 HG21 VAL 85 3HG2 VAL 85 -2.339 -0.631 5.104 671 HG22 VAL 85 1HG2 VAL 85 -2.525 1.014 4.495 672 HG23 VAL 85 2HG2 VAL 85 -2.594 -0.354 3.384 673 H ASN 86 H ASN 86 -6.475 2.220 6.299 674 HA ASN 86 HA ASN 86 -8.727 0.375 6.952 675 HB2 ASN 86 2HB ASN 86 -9.828 2.442 7.791 676 HB3 ASN 86 1HB ASN 86 -8.306 2.116 8.613 677 HD21 ASN 86 1HD2 ASN 86 -6.710 3.736 8.542 678 HD22 ASN 86 2HD2 ASN 86 -6.830 5.143 7.600 679 H LEU 87 H LEU 87 -10.206 0.009 5.425 680 HA LEU 87 HA LEU 87 -10.341 1.738 3.002 681 HB2 LEU 87 2HB LEU 87 -11.339 -1.114 3.394 682 HB3 LEU 87 1HB LEU 87 -11.235 -0.226 1.873 683 HG LEU 87 HG LEU 87 -8.864 -1.039 3.603 684 HD11 LEU 87 1HD1 LEU 87 -9.964 -2.958 2.495 685 HD12 LEU 87 2HD1 LEU 87 -8.383 -2.637 1.781 686 HD13 LEU 87 3HD1 LEU 87 -9.848 -2.127 0.943 687 HD21 LEU 87 3HD2 LEU 87 -8.234 0.958 2.400 688 HD22 LEU 87 1HD2 LEU 87 -9.045 0.419 0.930 689 HD23 LEU 87 2HD2 LEU 87 -7.566 -0.373 1.477 690 H LYS 88 H LYS 88 -11.951 3.203 3.201 691 HA LYS 88 HA LYS 88 -14.402 2.545 4.713 692 HB2 LYS 88 2HB LYS 88 -13.441 5.135 3.450 693 HB3 LYS 88 1HB LYS 88 -14.875 4.949 4.458 694 HG2 LYS 88 2HG LYS 88 -13.434 4.186 6.334 695 HG3 LYS 88 1HG LYS 88 -12.010 4.415 5.314 696 HD2 LYS 88 2HD LYS 88 -12.543 6.819 5.099 697 HD3 LYS 88 1HD LYS 88 -13.967 6.597 6.115 698 HE2 LYS 88 2HE LYS 88 -12.525 5.855 7.981 699 HE3 LYS 88 1HE LYS 88 -11.098 6.078 6.966 700 HZ1 LYS 88 3HZ LYS 88 -11.931 7.957 8.568 701 HZ2 LYS 88 1HZ LYS 88 -12.953 8.323 7.264 702 HZ3 LYS 88 2HZ LYS 88 -11.268 8.330 7.047 703 H VAL 89 H VAL 89 -16.186 1.923 3.653 704 HA VAL 89 HA VAL 89 -16.314 2.077 0.702 705 HB VAL 89 HB VAL 89 -18.342 0.524 1.162 706 HG11 VAL 89 1HG1 VAL 89 -16.919 -1.452 1.556 707 HG12 VAL 89 2HG1 VAL 89 -15.599 -0.401 2.065 708 HG13 VAL 89 3HG1 VAL 89 -16.169 -0.356 0.398 709 HG21 VAL 89 3HG2 VAL 89 -18.528 -0.479 3.323 710 HG22 VAL 89 1HG2 VAL 89 -18.532 1.244 3.598 711 HG23 VAL 89 2HG2 VAL 89 -17.078 0.306 3.903 712 H THR 90 H THR 90 -17.798 3.298 -0.347 713 HA THR 90 HA THR 90 -19.518 5.139 1.238 714 HB THR 90 HB THR 90 -18.766 5.246 -1.715 715 HG1 THR 90 1HG THR 90 -17.426 5.934 0.554 716 HG21 THR 90 3HG2 THR 90 -19.501 7.611 -1.498 717 HG22 THR 90 1HG2 THR 90 -20.009 7.289 0.158 718 HG23 THR 90 2HG2 THR 90 -20.820 6.485 -1.185 719 H GLN 91 H GLN 91 -21.579 4.462 1.477 720 HA GLN 91 HA GLN 91 -22.758 2.434 -0.244 721 HB2 GLN 91 2HB GLN 91 -24.006 4.069 2.000 722 HB3 GLN 91 1HB GLN 91 -24.675 2.608 1.276 723 HG2 GLN 91 2HG GLN 91 -22.028 2.758 2.763 724 HG3 GLN 91 1HG GLN 91 -23.534 2.153 3.445 725 HE21 GLN 91 1HE2 GLN 91 -20.717 0.994 2.285 726 HE22 GLN 91 2HE2 GLN 91 -21.252 -0.447 1.566 727 H LYS 92 H LYS 92 -24.026 2.792 -1.981 728 HA LYS 92 HA LYS 92 -24.340 5.296 -3.177 729 HB2 LYS 92 2HB LYS 92 -26.144 4.143 -4.553 730 HB3 LYS 92 1HB LYS 92 -24.596 3.309 -4.517 731 HG2 LYS 92 2HG LYS 92 -25.387 1.759 -2.809 732 HG3 LYS 92 1HG LYS 92 -26.912 2.619 -2.657 733 HD2 LYS 92 2HD LYS 92 -26.115 1.511 -5.377 734 HD3 LYS 92 1HD LYS 92 -26.786 0.422 -4.169 735 HE2 LYS 92 2HE LYS 92 -28.148 2.958 -5.127 736 HE3 LYS 92 1HE LYS 92 -28.540 1.329 -5.674 737 HZ1 LYS 92 3HZ LYS 92 -29.279 2.667 -3.262 738 HZ2 LYS 92 1HZ LYS 92 -28.563 1.161 -2.953 739 HZ3 LYS 92 2HZ LYS 92 -29.928 1.261 -3.961 740 H LEU 93 H LEU 93 -25.860 6.884 -3.130 741 HA LEU 93 HA LEU 93 -27.820 6.848 -0.925 742 HB2 LEU 93 2HB LEU 93 -27.044 9.172 -2.717 743 HB3 LEU 93 1HB LEU 93 -27.869 9.250 -1.160 744 HG LEU 93 HG LEU 93 -25.004 8.336 -1.630 745 HD11 LEU 93 1HD1 LEU 93 -26.129 10.819 -0.298 746 HD12 LEU 93 2HD1 LEU 93 -25.315 10.762 -1.862 747 HD13 LEU 93 3HD1 LEU 93 -24.421 10.394 -0.388 748 HD21 LEU 93 3HD2 LEU 93 -25.768 7.078 0.254 749 HD22 LEU 93 1HD2 LEU 93 -26.699 8.434 0.897 750 HD23 LEU 93 2HD2 LEU 93 -24.936 8.455 0.958 751 H GLU 94 H GLU 94 -27.757 6.149 -4.124 752 HA GLU 94 HA GLU 94 -30.584 5.944 -4.370 753 HB2 GLU 94 2HB GLU 94 -30.313 8.405 -4.696 754 HB3 GLU 94 1HB GLU 94 -29.228 8.090 -6.047 755 HG2 GLU 94 2HG GLU 94 -31.027 6.937 -7.251 756 HG3 GLU 94 1HG GLU 94 -32.108 7.150 -5.881 757 H HIS 95 H HIS 95 -31.195 4.764 -6.216 758 HA HIS 95 HA HIS 95 -29.177 3.040 -7.312 759 HB2 HIS 95 2HB HIS 95 -31.513 2.307 -6.880 760 HB3 HIS 95 1HB HIS 95 -32.078 3.392 -8.147 761 HD2 HIS 95 2HD HIS 95 -30.520 -0.145 -7.799 762 HE1 HIS 95 1HE HIS 95 -30.637 0.746 -11.924 763 HE2 HIS 95 2HE HIS 95 -30.232 -1.090 -10.216 764 H HIS 96 H HIS 96 -28.036 3.244 -9.146 765 HA HIS 96 HA HIS 96 -28.944 4.633 -11.475 766 HB2 HIS 96 2HB HIS 96 -28.385 6.597 -10.047 767 HB3 HIS 96 1HB HIS 96 -26.743 5.983 -9.865 768 HD2 HIS 96 2HD HIS 96 -25.037 6.621 -11.984 769 HE1 HIS 96 1HE HIS 96 -27.963 8.179 -14.598 770 HE2 HIS 96 2HE HIS 96 -25.470 7.838 -14.254 771 H HIS 97 H HIS 97 -28.347 2.661 -12.415 772 HA HIS 97 HA HIS 97 -25.782 1.457 -12.171 773 HB2 HIS 97 2HB HIS 97 -26.457 0.191 -14.204 774 HB3 HIS 97 1HB HIS 97 -27.728 0.205 -12.982 775 HD2 HIS 97 2HD HIS 97 -27.147 1.451 -16.622 776 HE1 HIS 97 1HE HIS 97 -30.952 2.825 -15.416 777 HE2 HIS 97 2HE HIS 97 -29.374 2.578 -17.390 778 H HIS 98 H HIS 98 -23.966 1.591 -13.492 779 HA HIS 98 HA HIS 98 -23.875 3.300 -15.832 780 HB2 HIS 98 2HB HIS 98 -23.761 4.979 -14.001 781 HB3 HIS 98 1HB HIS 98 -22.360 4.144 -13.333 782 HD2 HIS 98 2HD HIS 98 -19.965 5.048 -14.392 783 HE1 HIS 98 1HE HIS 98 -21.506 6.898 -17.859 784 HE2 HIS 98 2HE HIS 98 -19.401 6.476 -16.505 785 H HIS 99 H HIS 99 -22.190 2.755 -17.132 786 HA HIS 99 HA HIS 99 -19.805 1.420 -16.169 787 HB2 HIS 99 2HB HIS 99 -20.191 -0.664 -17.463 788 HB3 HIS 99 1HB HIS 99 -21.365 -0.474 -16.162 789 HD2 HIS 99 2HD HIS 99 -21.343 -0.934 -19.977 790 HE1 HIS 99 1HE HIS 99 -25.251 0.296 -18.952 791 HE2 HIS 99 2HE HIS 99 -23.799 -0.641 -20.813 792 H HIS 100 H HIS 100 -18.292 0.978 -17.933 793 HA HIS 100 HA HIS 100 -18.094 3.127 -19.749 794 HB2 HIS 100 2HB HIS 100 -16.216 1.819 -20.734 795 HB3 HIS 100 1HB HIS 100 -16.127 1.897 -18.975 796 HD2 HIS 100 2HD HIS 100 -16.219 -0.776 -21.721 797 HE1 HIS 100 1HE HIS 100 -17.114 -2.771 -18.109 798 HE2 HIS 100 2HE HIS 100 -16.512 -3.094 -20.554 Start of MODEL 4 1 H1 LYS 1 1HT LYS 1 29.838 -6.358 -4.166 2 H2 LYS 1 2HT LYS 1 29.767 -6.938 -2.569 3 H3 LYS 1 3HT LYS 1 30.355 -7.935 -3.812 4 HA LYS 1 HA LYS 1 32.204 -7.123 -2.538 5 HB2 LYS 1 2HB LYS 1 31.898 -5.752 -5.236 6 HB3 LYS 1 1HB LYS 1 33.430 -5.946 -4.378 7 HG2 LYS 1 2HG LYS 1 33.165 -8.401 -4.449 8 HG3 LYS 1 1HG LYS 1 31.636 -8.214 -5.309 9 HD2 LYS 1 2HD LYS 1 32.812 -7.076 -7.164 10 HD3 LYS 1 1HD LYS 1 34.343 -7.259 -6.308 11 HE2 LYS 1 2HE LYS 1 34.096 -9.714 -6.383 12 HE3 LYS 1 1HE LYS 1 32.564 -9.535 -7.239 13 HZ1 LYS 1 2HZ LYS 1 34.645 -8.042 -8.483 14 HZ2 LYS 1 3HZ LYS 1 33.623 -9.226 -9.144 15 HZ3 LYS 1 1HZ LYS 1 35.057 -9.686 -8.363 16 H ILE 2 H ILE 2 30.720 -4.330 -4.216 17 HA ILE 2 HA ILE 2 31.850 -2.423 -2.380 18 HB ILE 2 HB ILE 2 29.524 -1.972 -4.306 19 HG12 ILE 2 2HG1 ILE 2 31.273 -3.044 -5.615 20 HG13 ILE 2 1HG1 ILE 2 31.292 -1.327 -5.988 21 HG21 ILE 2 1HG2 ILE 2 30.421 0.322 -4.383 22 HG22 ILE 2 2HG2 ILE 2 31.695 -0.128 -3.253 23 HG23 ILE 2 3HG2 ILE 2 30.012 -0.136 -2.732 24 HD11 ILE 2 3HD1 ILE 2 33.255 -2.912 -4.321 25 HD12 ILE 2 1HD1 ILE 2 33.170 -1.157 -4.184 26 HD13 ILE 2 2HD1 ILE 2 33.579 -1.903 -5.724 27 H SER 3 H SER 3 30.998 -1.644 -0.523 28 HA SER 3 HA SER 3 28.159 -1.749 0.098 29 HB2 SER 3 2HB SER 3 30.124 -3.388 1.727 30 HB3 SER 3 1HB SER 3 28.419 -3.142 2.104 31 HG SER 3 HG SER 3 27.890 -4.522 0.576 32 H LEU 4 H LEU 4 31.239 -1.669 1.847 33 HA LEU 4 HA LEU 4 32.163 -0.159 3.292 34 HB2 LEU 4 2HB LEU 4 31.867 1.216 1.098 35 HB3 LEU 4 1HB LEU 4 30.512 1.987 1.907 36 HG LEU 4 HG LEU 4 32.383 2.306 3.889 37 HD11 LEU 4 1HD1 LEU 4 34.037 2.382 1.342 38 HD12 LEU 4 2HD1 LEU 4 34.150 1.136 2.583 39 HD13 LEU 4 3HD1 LEU 4 34.586 2.801 2.966 40 HD21 LEU 4 3HD2 LEU 4 32.178 4.090 1.435 41 HD22 LEU 4 1HD2 LEU 4 32.838 4.583 2.995 42 HD23 LEU 4 2HD2 LEU 4 31.132 4.159 2.852 43 H ARG 5 H ARG 5 30.387 2.410 3.823 44 HA ARG 5 HA ARG 5 29.348 1.558 6.335 45 HB2 ARG 5 2HB ARG 5 28.761 4.043 4.690 46 HB3 ARG 5 1HB ARG 5 28.275 3.818 6.372 47 HG2 ARG 5 2HG ARG 5 30.632 3.582 7.043 48 HG3 ARG 5 1HG ARG 5 31.139 3.772 5.366 49 HD2 ARG 5 2HD ARG 5 31.374 5.905 6.538 50 HD3 ARG 5 1HD ARG 5 30.101 6.034 5.324 51 HE ARG 5 HE ARG 5 28.962 5.255 7.799 52 HH11 ARG 5 1HH2 ARG 5 30.479 7.976 6.249 53 HH12 ARG 5 2HH2 ARG 5 29.634 9.149 7.201 54 HH21 ARG 5 1HH1 ARG 5 27.867 6.798 9.032 55 HH22 ARG 5 2HH1 ARG 5 28.161 8.485 8.771 56 H LYS 6 H LYS 6 27.170 1.391 6.992 57 HA LYS 6 HA LYS 6 25.484 -0.051 5.218 58 HB2 LYS 6 2HB LYS 6 24.776 1.297 7.845 59 HB3 LYS 6 1HB LYS 6 23.851 0.023 7.052 60 HG2 LYS 6 2HG LYS 6 26.732 -0.337 7.984 61 HG3 LYS 6 1HG LYS 6 25.339 -0.763 8.967 62 HD2 LYS 6 2HD LYS 6 24.599 -2.361 7.192 63 HD3 LYS 6 1HD LYS 6 26.042 -1.976 6.264 64 HE2 LYS 6 2HE LYS 6 26.397 -4.025 7.562 65 HE3 LYS 6 1HE LYS 6 27.476 -2.742 8.107 66 HZ1 LYS 6 3HZ LYS 6 25.621 -4.176 9.611 67 HZ2 LYS 6 1HZ LYS 6 25.060 -2.576 9.529 68 HZ3 LYS 6 2HZ LYS 6 26.619 -2.898 10.120 69 H LEU 7 H LEU 7 23.773 0.533 4.027 70 HA LEU 7 HA LEU 7 23.143 3.429 3.734 71 HB2 LEU 7 2HB LEU 7 22.854 1.209 1.665 72 HB3 LEU 7 1HB LEU 7 22.667 2.943 1.399 73 HG LEU 7 HG LEU 7 25.243 1.522 2.180 74 HD11 LEU 7 1HD1 LEU 7 25.996 2.153 -0.081 75 HD12 LEU 7 2HD1 LEU 7 24.417 2.867 -0.411 76 HD13 LEU 7 3HD1 LEU 7 24.562 1.127 -0.155 77 HD21 LEU 7 3HD2 LEU 7 25.426 3.703 3.142 78 HD22 LEU 7 1HD2 LEU 7 24.595 4.472 1.792 79 HD23 LEU 7 2HD2 LEU 7 26.238 3.865 1.596 80 H SER 8 H SER 8 20.990 3.981 3.418 81 HA SER 8 HA SER 8 18.867 2.014 3.593 82 HB2 SER 8 2HB SER 8 19.326 2.045 5.952 83 HB3 SER 8 1HB SER 8 19.526 3.795 5.956 84 HG SER 8 HG SER 8 17.385 4.048 5.742 85 H LYS 9 H LYS 9 16.957 2.849 2.950 86 HA LYS 9 HA LYS 9 16.614 5.754 2.603 87 HB2 LYS 9 2HB LYS 9 16.708 3.805 0.263 88 HB3 LYS 9 1HB LYS 9 16.054 5.439 0.156 89 HG2 LYS 9 2HG LYS 9 18.270 6.344 0.876 90 HG3 LYS 9 1HG LYS 9 18.914 4.709 0.885 91 HD2 LYS 9 2HD LYS 9 18.445 4.458 -1.490 92 HD3 LYS 9 1HD LYS 9 17.757 6.080 -1.545 93 HE2 LYS 9 2HE LYS 9 20.076 6.130 -2.352 94 HE3 LYS 9 1HE LYS 9 19.962 7.001 -0.824 95 HZ1 LYS 9 3HZ LYS 9 21.519 5.646 -0.047 96 HZ2 LYS 9 1HZ LYS 9 21.481 4.695 -1.450 97 HZ3 LYS 9 2HZ LYS 9 20.421 4.356 -0.173 98 H SER 10 H SER 10 14.472 6.225 1.708 99 HA SER 10 HA SER 10 12.401 4.237 2.556 100 HB2 SER 10 2HB SER 10 12.324 7.260 2.834 101 HB3 SER 10 1HB SER 10 11.052 6.137 3.310 102 HG SER 10 HG SER 10 13.393 5.370 4.373 103 H VAL 11 H VAL 11 10.753 3.890 1.115 104 HA VAL 11 HA VAL 11 10.677 5.522 -1.381 105 HB VAL 11 HB VAL 11 9.977 3.382 -2.534 106 HG11 VAL 11 1HG1 VAL 11 12.310 4.181 -2.639 107 HG12 VAL 11 2HG1 VAL 11 12.256 2.421 -2.593 108 HG13 VAL 11 3HG1 VAL 11 12.679 3.326 -1.142 109 HG21 VAL 11 3HG2 VAL 11 10.422 1.247 -1.363 110 HG22 VAL 11 1HG2 VAL 11 9.193 2.165 -0.506 111 HG23 VAL 11 2HG2 VAL 11 10.844 2.124 0.104 112 HA PRO 12 HA PRO 12 6.369 6.009 -0.195 113 HB2 PRO 12 2HB PRO 12 5.246 6.953 -2.485 114 HB3 PRO 12 1HB PRO 12 6.451 7.914 -1.593 115 HG2 PRO 12 2HG PRO 12 6.888 6.115 -3.976 116 HG3 PRO 12 1HG PRO 12 7.408 7.804 -3.754 117 HD2 PRO 12 2HD PRO 12 9.124 5.735 -3.265 118 HD3 PRO 12 1HD PRO 12 9.153 7.208 -2.262 119 H VAL 13 H VAL 13 4.536 4.759 -0.128 120 HA VAL 13 HA VAL 13 4.401 2.369 -1.897 121 HB VAL 13 HB VAL 13 2.977 2.870 0.753 122 HG11 VAL 13 1HG1 VAL 13 3.386 0.361 -0.934 123 HG12 VAL 13 2HG1 VAL 13 1.855 1.203 -0.691 124 HG13 VAL 13 3HG1 VAL 13 2.635 0.392 0.663 125 HG21 VAL 13 3HG2 VAL 13 4.680 1.317 1.693 126 HG22 VAL 13 1HG2 VAL 13 5.419 2.793 1.075 127 HG23 VAL 13 2HG2 VAL 13 5.511 1.304 0.137 128 H LYS 14 H LYS 14 2.701 2.107 -3.248 129 HA LYS 14 HA LYS 14 0.382 3.992 -3.082 130 HB2 LYS 14 2HB LYS 14 1.884 3.087 -5.563 131 HB3 LYS 14 1HB LYS 14 0.387 4.022 -5.567 132 HG2 LYS 14 2HG LYS 14 1.511 5.831 -4.306 133 HG3 LYS 14 1HG LYS 14 3.011 4.899 -4.306 134 HD2 LYS 14 2HD LYS 14 3.041 4.955 -6.782 135 HD3 LYS 14 1HD LYS 14 1.548 5.894 -6.773 136 HE2 LYS 14 2HE LYS 14 2.682 7.699 -5.524 137 HE3 LYS 14 1HE LYS 14 4.177 6.763 -5.528 138 HZ1 LYS 14 3HZ LYS 14 4.635 7.491 -7.552 139 HZ2 LYS 14 1HZ LYS 14 3.273 8.499 -7.486 140 HZ3 LYS 14 2HZ LYS 14 3.144 6.940 -8.149 141 H LEU 15 H LEU 15 -1.578 3.156 -3.688 142 HA LEU 15 HA LEU 15 -1.773 0.182 -3.885 143 HB2 LEU 15 2HB LEU 15 -3.868 2.148 -2.869 144 HB3 LEU 15 1HB LEU 15 -3.921 0.387 -2.776 145 HG LEU 15 HG LEU 15 -1.943 2.206 -1.341 146 HD11 LEU 15 1HD1 LEU 15 -4.220 2.257 -0.401 147 HD12 LEU 15 2HD1 LEU 15 -3.119 1.427 0.696 148 HD13 LEU 15 3HD1 LEU 15 -4.234 0.494 -0.306 149 HD21 LEU 15 3HD2 LEU 15 -1.381 -0.022 -0.114 150 HD22 LEU 15 1HD2 LEU 15 -0.739 0.186 -1.737 151 HD23 LEU 15 2HD2 LEU 15 -2.161 -0.828 -1.476 152 H GLU 16 H GLU 16 -2.892 -0.690 -5.549 153 HA GLU 16 HA GLU 16 -4.195 1.163 -7.514 154 HB2 GLU 16 2HB GLU 16 -2.028 0.114 -8.285 155 HB3 GLU 16 1HB GLU 16 -2.779 -1.466 -8.110 156 HG2 GLU 16 2HG GLU 16 -2.955 -0.787 -10.445 157 HG3 GLU 16 1HG GLU 16 -4.566 -0.735 -9.746 158 H LEU 17 H LEU 17 -6.348 0.925 -7.259 159 HA LEU 17 HA LEU 17 -7.562 -1.449 -6.197 160 HB2 LEU 17 2HB LEU 17 -8.581 1.114 -7.449 161 HB3 LEU 17 1HB LEU 17 -9.707 -0.201 -7.118 162 HG LEU 17 HG LEU 17 -9.096 -0.181 -4.743 163 HD11 LEU 17 1HD1 LEU 17 -7.615 1.732 -3.908 164 HD12 LEU 17 2HD1 LEU 17 -7.108 1.951 -5.583 165 HD13 LEU 17 3HD1 LEU 17 -6.792 0.423 -4.753 166 HD21 LEU 17 3HD2 LEU 17 -10.893 1.321 -5.517 167 HD22 LEU 17 1HD2 LEU 17 -9.708 2.596 -5.806 168 HD23 LEU 17 2HD2 LEU 17 -10.019 2.037 -4.163 169 H THR 18 H THR 18 -8.239 -3.168 -7.197 170 HA THR 18 HA THR 18 -8.511 -3.235 -10.178 171 HB THR 18 HB THR 18 -7.508 -5.487 -10.162 172 HG1 THR 18 1HG THR 18 -6.276 -5.456 -7.837 173 HG21 THR 18 3HG2 THR 18 -5.182 -4.801 -9.734 174 HG22 THR 18 1HG2 THR 18 -5.758 -3.398 -8.835 175 HG23 THR 18 2HG2 THR 18 -6.067 -3.521 -10.566 176 H GLY 19 H GLY 19 -10.153 -4.445 -10.959 177 HA2 GLY 19 2HA GLY 19 -11.792 -6.257 -10.712 178 HA3 GLY 19 1HA GLY 19 -12.004 -5.794 -9.027 179 H ASP 20 H ASP 20 -14.232 -5.992 -10.481 180 HA ASP 20 HA ASP 20 -15.000 -3.386 -11.601 181 HB2 ASP 20 2HB ASP 20 -17.164 -4.508 -12.018 182 HB3 ASP 20 1HB ASP 20 -15.817 -5.427 -12.681 183 H LYS 21 H LYS 21 -16.114 -1.835 -10.492 184 HA LYS 21 HA LYS 21 -16.376 -1.964 -7.661 185 HB2 LYS 21 2HB LYS 21 -17.591 -0.058 -9.696 186 HB3 LYS 21 1HB LYS 21 -17.620 0.195 -7.949 187 HG2 LYS 21 2HG LYS 21 -15.159 0.182 -7.894 188 HG3 LYS 21 1HG LYS 21 -15.109 -0.088 -9.635 189 HD2 LYS 21 2HD LYS 21 -16.285 2.064 -9.996 190 HD3 LYS 21 1HD LYS 21 -16.316 2.334 -8.252 191 HE2 LYS 21 2HE LYS 21 -13.821 2.049 -9.959 192 HE3 LYS 21 1HE LYS 21 -14.438 3.554 -9.274 193 HZ1 LYS 21 3HZ LYS 21 -14.323 1.935 -7.123 194 HZ2 LYS 21 1HZ LYS 21 -13.123 3.052 -7.557 195 HZ3 LYS 21 2HZ LYS 21 -12.968 1.422 -8.010 196 H ALA 22 H ALA 22 -18.053 -2.602 -6.397 197 HA ALA 22 HA ALA 22 -20.199 -4.131 -7.494 198 HB1 ALA 22 1HB ALA 22 -19.819 -3.007 -4.707 199 HB2 ALA 22 2HB ALA 22 -19.272 -4.584 -5.266 200 HB3 ALA 22 3HB ALA 22 -20.998 -4.237 -5.157 201 H SER 23 H SER 23 -22.361 -3.674 -7.648 202 HA SER 23 HA SER 23 -23.103 -1.034 -8.375 203 HB2 SER 23 2HB SER 23 -24.839 -3.422 -7.714 204 HB3 SER 23 1HB SER 23 -25.400 -1.947 -8.500 205 HG SER 23 HG SER 23 -23.175 -2.917 -9.693 206 H ASN 24 H ASN 24 -22.949 -2.594 -5.287 207 HA ASN 24 HA ASN 24 -24.894 -0.870 -3.966 208 HB2 ASN 24 2HB ASN 24 -24.686 -3.132 -3.156 209 HB3 ASN 24 1HB ASN 24 -22.936 -3.002 -3.060 210 HD21 ASN 24 1HD2 ASN 24 -22.022 -2.078 -1.184 211 HD22 ASN 24 2HD2 ASN 24 -22.945 -1.554 0.130 212 H VAL 25 H VAL 25 -21.521 -0.840 -4.744 213 HA VAL 25 HA VAL 25 -20.959 1.343 -2.793 214 HB VAL 25 HB VAL 25 -19.039 -0.382 -4.394 215 HG11 VAL 25 1HG1 VAL 25 -17.359 0.542 -2.782 216 HG12 VAL 25 2HG1 VAL 25 -18.596 1.622 -2.146 217 HG13 VAL 25 3HG1 VAL 25 -18.045 1.790 -3.813 218 HG21 VAL 25 3HG2 VAL 25 -19.902 -0.514 -1.481 219 HG22 VAL 25 1HG2 VAL 25 -18.610 -1.479 -2.194 220 HG23 VAL 25 2HG2 VAL 25 -20.277 -1.702 -2.719 221 H SER 26 H SER 26 -20.774 3.350 -3.508 222 HA SER 26 HA SER 26 -20.894 3.981 -6.368 223 HB2 SER 26 2HB SER 26 -22.318 5.204 -4.782 224 HB3 SER 26 1HB SER 26 -20.892 5.754 -3.907 225 HG SER 26 HG SER 26 -20.302 6.465 -6.233 226 H SER 27 H SER 27 -18.713 4.414 -3.597 227 HA SER 27 HA SER 27 -16.391 4.665 -5.353 228 HB2 SER 27 2HB SER 27 -17.198 6.986 -5.230 229 HB3 SER 27 1HB SER 27 -17.187 6.904 -3.471 230 HG SER 27 HG SER 27 -15.194 7.512 -5.086 231 H ILE 28 H ILE 28 -14.385 4.665 -4.149 232 HA ILE 28 HA ILE 28 -14.550 3.564 -1.378 233 HB ILE 28 HB ILE 28 -12.786 2.509 -3.627 234 HG12 ILE 28 2HG1 ILE 28 -15.116 1.168 -2.184 235 HG13 ILE 28 1HG1 ILE 28 -15.254 1.890 -3.781 236 HG21 ILE 28 1HG2 ILE 28 -11.672 2.330 -1.415 237 HG22 ILE 28 2HG2 ILE 28 -12.206 0.736 -1.914 238 HG23 ILE 28 3HG2 ILE 28 -13.132 1.634 -0.718 239 HD11 ILE 28 3HD1 ILE 28 -14.902 -0.496 -4.029 240 HD12 ILE 28 1HD1 ILE 28 -13.466 -0.420 -3.011 241 HD13 ILE 28 2HD1 ILE 28 -13.462 0.353 -4.595 242 H SER 29 H SER 29 -12.959 4.193 -0.022 243 HA SER 29 HA SER 29 -10.772 5.962 -1.012 244 HB2 SER 29 2HB SER 29 -12.495 6.388 1.450 245 HB3 SER 29 1HB SER 29 -11.116 7.376 0.968 246 HG SER 29 HG SER 29 -12.644 8.440 -0.044 247 H TYR 30 H TYR 30 -8.885 5.939 0.293 248 HA TYR 30 HA TYR 30 -8.682 3.883 2.410 249 HB2 TYR 30 2HB TYR 30 -6.675 2.913 1.332 250 HB3 TYR 30 1HB TYR 30 -8.118 2.689 0.344 251 HD1 TYR 30 1HD TYR 30 -4.939 4.572 0.672 252 HD2 TYR 30 2HD TYR 30 -8.422 3.920 -1.772 253 HE1 TYR 30 1HE TYR 30 -3.865 5.798 -1.195 254 HE2 TYR 30 2HE TYR 30 -7.336 5.144 -3.636 255 HH TYR 30 HH TYR 30 -4.712 7.110 -3.259 256 H SER 31 H SER 31 -6.812 4.093 3.693 257 HA SER 31 HA SER 31 -5.156 6.515 3.379 258 HB2 SER 31 2HB SER 31 -6.839 6.000 5.854 259 HB3 SER 31 1HB SER 31 -5.673 7.305 5.641 260 HG SER 31 HG SER 31 -8.206 7.310 4.991 261 H PHE 32 H PHE 32 -3.457 6.592 5.059 262 HA PHE 32 HA PHE 32 -2.732 4.007 6.282 263 HB2 PHE 32 2HB PHE 32 -0.437 4.185 5.235 264 HB3 PHE 32 1HB PHE 32 -1.722 3.828 4.081 265 HD1 PHE 32 1HD PHE 32 0.394 6.591 5.462 266 HD2 PHE 32 2HD PHE 32 -2.253 5.388 2.287 267 HE1 PHE 32 1HE PHE 32 0.983 8.629 4.191 268 HE2 PHE 32 2HE PHE 32 -1.651 7.434 1.025 269 HZ PHE 32 HZ PHE 32 -0.034 9.050 1.975 270 H ASP 33 H ASP 33 -1.471 4.229 8.079 271 HA ASP 33 HA ASP 33 -1.359 6.809 9.350 272 HB2 ASP 33 2HB ASP 33 -0.252 5.551 11.190 273 HB3 ASP 33 1HB ASP 33 -1.745 4.779 10.659 274 H ARG 34 H ARG 34 0.954 4.713 7.695 275 HA ARG 34 HA ARG 34 3.068 6.804 7.893 276 HB2 ARG 34 2HB ARG 34 3.378 3.779 7.867 277 HB3 ARG 34 1HB ARG 34 4.707 4.936 7.900 278 HG2 ARG 34 2HG ARG 34 2.580 4.801 10.081 279 HG3 ARG 34 1HG ARG 34 4.084 3.893 10.165 280 HD2 ARG 34 2HD ARG 34 5.353 6.026 9.989 281 HD3 ARG 34 1HD ARG 34 3.839 6.913 10.022 282 HE ARG 34 HE ARG 34 3.930 5.220 12.274 283 HH11 ARG 34 1HH2 ARG 34 5.470 8.035 10.926 284 HH12 ARG 34 2HH2 ARG 34 5.845 8.734 12.467 285 HH21 ARG 34 1HH1 ARG 34 4.420 6.164 14.297 286 HH22 ARG 34 2HH1 ARG 34 5.253 7.680 14.359 287 H GLY 35 H GLY 35 2.161 3.894 6.063 288 HA2 GLY 35 2HA GLY 35 2.235 3.419 3.817 289 HA3 GLY 35 1HA GLY 35 1.956 5.139 3.564 290 H HIS 36 H HIS 36 4.766 4.291 5.382 291 HA HIS 36 HA HIS 36 6.569 4.302 3.048 292 HB2 HIS 36 2HB HIS 36 6.817 6.260 5.367 293 HB3 HIS 36 1HB HIS 36 7.941 6.091 4.015 294 HD2 HIS 36 2HD HIS 36 5.102 8.345 4.881 295 HE1 HIS 36 1HE HIS 36 4.882 7.994 0.681 296 HE2 HIS 36 2HE HIS 36 4.051 9.304 2.690 297 H VAL 37 H VAL 37 8.311 3.021 3.406 298 HA VAL 37 HA VAL 37 8.947 2.106 6.174 299 HB VAL 37 HB VAL 37 9.248 -0.191 5.271 300 HG11 VAL 37 1HG1 VAL 37 7.126 0.456 6.362 301 HG12 VAL 37 2HG1 VAL 37 6.842 -0.714 5.082 302 HG13 VAL 37 3HG1 VAL 37 6.483 0.985 4.808 303 HG21 VAL 37 3HG2 VAL 37 7.991 0.989 2.758 304 HG22 VAL 37 1HG2 VAL 37 8.273 -0.728 3.036 305 HG23 VAL 37 2HG2 VAL 37 9.636 0.373 2.892 306 H THR 38 H THR 38 11.111 1.122 6.316 307 HA THR 38 HA THR 38 13.031 2.568 4.571 308 HB THR 38 HB THR 38 13.467 1.250 7.281 309 HG1 THR 38 1HG THR 38 12.064 3.012 7.430 310 HG21 THR 38 3HG2 THR 38 15.515 2.653 7.283 311 HG22 THR 38 1HG2 THR 38 15.142 3.185 5.647 312 HG23 THR 38 2HG2 THR 38 15.531 1.493 5.959 313 H ILE 39 H ILE 39 14.490 1.470 3.362 314 HA ILE 39 HA ILE 39 14.486 -1.516 3.422 315 HB ILE 39 HB ILE 39 14.957 -1.406 1.006 316 HG12 ILE 39 2HG1 ILE 39 14.502 1.589 1.295 317 HG13 ILE 39 1HG1 ILE 39 16.065 0.860 0.989 318 HG21 ILE 39 1HG2 ILE 39 12.580 -1.486 1.898 319 HG22 ILE 39 2HG2 ILE 39 12.705 -0.794 0.286 320 HG23 ILE 39 3HG2 ILE 39 12.493 0.258 1.688 321 HD11 ILE 39 3HD1 ILE 39 13.644 0.853 -0.816 322 HD12 ILE 39 1HD1 ILE 39 15.077 -0.134 -1.116 323 HD13 ILE 39 2HD1 ILE 39 15.197 1.628 -1.108 324 H VAL 40 H VAL 40 16.470 -2.547 3.107 325 HA VAL 40 HA VAL 40 18.913 -0.838 3.342 326 HB VAL 40 HB VAL 40 18.052 -1.942 5.527 327 HG11 VAL 40 1HG1 VAL 40 19.231 -4.484 4.381 328 HG12 VAL 40 2HG1 VAL 40 17.514 -4.113 4.305 329 HG13 VAL 40 3HG1 VAL 40 18.311 -4.271 5.874 330 HG21 VAL 40 3HG2 VAL 40 20.378 -2.604 6.204 331 HG22 VAL 40 1HG2 VAL 40 20.346 -1.079 5.315 332 HG23 VAL 40 2HG2 VAL 40 20.855 -2.563 4.505 333 H GLY 41 H GLY 41 20.547 -1.408 2.020 334 HA2 GLY 41 2HA GLY 41 21.361 -3.905 1.204 335 HA3 GLY 41 1HA GLY 41 20.156 -3.430 0.014 336 H SER 42 H SER 42 21.893 -3.524 -1.503 337 HA SER 42 HA SER 42 24.073 -1.604 -1.373 338 HB2 SER 42 2HB SER 42 24.333 -3.756 -2.539 339 HB3 SER 42 1HB SER 42 23.057 -3.308 -3.668 340 HG SER 42 HG SER 42 25.304 -1.650 -3.239 341 H GLN 43 H GLN 43 24.347 0.140 -2.912 342 HA GLN 43 HA GLN 43 22.091 1.823 -3.118 343 HB2 GLN 43 2HB GLN 43 24.490 2.568 -3.037 344 HB3 GLN 43 1HB GLN 43 24.698 1.976 -4.681 345 HG2 GLN 43 2HG GLN 43 24.287 4.375 -4.762 346 HG3 GLN 43 1HG GLN 43 22.880 3.558 -5.423 347 HE21 GLN 43 1HE2 GLN 43 24.082 4.931 -2.313 348 HE22 GLN 43 2HE2 GLN 43 22.547 5.412 -1.772 349 H GLU 44 H GLU 44 23.603 -0.423 -5.381 350 HA GLU 44 HA GLU 44 22.277 0.369 -7.735 351 HB2 GLU 44 2HB GLU 44 23.268 -2.376 -6.903 352 HB3 GLU 44 1HB GLU 44 22.822 -1.918 -8.548 353 HG2 GLU 44 2HG GLU 44 24.572 -0.179 -8.545 354 HG3 GLU 44 1HG GLU 44 25.015 -0.617 -6.898 355 H ALA 45 H ALA 45 21.373 -2.021 -5.244 356 HA ALA 45 HA ALA 45 19.013 -2.941 -6.507 357 HB1 ALA 45 1HB ALA 45 20.129 -4.134 -4.662 358 HB2 ALA 45 2HB ALA 45 18.434 -3.819 -4.283 359 HB3 ALA 45 3HB ALA 45 19.703 -2.828 -3.557 360 H MET 46 H MET 46 19.632 -0.297 -4.231 361 HA MET 46 HA MET 46 16.904 0.417 -3.791 362 HB2 MET 46 2HB MET 46 19.486 1.997 -3.506 363 HB3 MET 46 1HB MET 46 17.911 2.597 -2.987 364 HG2 MET 46 2HG MET 46 17.666 0.672 -1.463 365 HG3 MET 46 1HG MET 46 19.229 0.051 -1.989 366 HE1 MET 46 3HE MET 46 20.088 -0.149 0.300 367 HE2 MET 46 1HE MET 46 18.641 0.495 1.085 368 HE3 MET 46 2HE MET 46 20.230 1.124 1.507 369 H ASP 47 H ASP 47 19.331 1.447 -6.172 370 HA ASP 47 HA ASP 47 17.935 3.603 -7.292 371 HB2 ASP 47 2HB ASP 47 19.879 1.662 -8.580 372 HB3 ASP 47 1HB ASP 47 19.395 3.209 -9.274 373 H LYS 48 H LYS 48 17.602 0.111 -7.804 374 HA LYS 48 HA LYS 48 15.994 0.318 -10.190 375 HB2 LYS 48 2HB LYS 48 16.475 -1.936 -8.208 376 HB3 LYS 48 1HB LYS 48 15.558 -2.117 -9.704 377 HG2 LYS 48 2HG LYS 48 17.531 -1.436 -11.013 378 HG3 LYS 48 1HG LYS 48 18.455 -1.226 -9.528 379 HD2 LYS 48 2HD LYS 48 18.133 -3.633 -8.998 380 HD3 LYS 48 1HD LYS 48 17.243 -3.833 -10.509 381 HE2 LYS 48 2HE LYS 48 20.138 -2.951 -10.253 382 HE3 LYS 48 1HE LYS 48 19.581 -4.532 -10.806 383 HZ1 LYS 48 3HZ LYS 48 19.376 -1.920 -12.145 384 HZ2 LYS 48 1HZ LYS 48 18.253 -3.139 -12.504 385 HZ3 LYS 48 2HZ LYS 48 19.909 -3.409 -12.769 386 H ILE 49 H ILE 49 15.384 -0.050 -6.715 387 HA ILE 49 HA ILE 49 12.493 -0.246 -7.046 388 HB ILE 49 HB ILE 49 14.131 0.203 -4.507 389 HG12 ILE 49 2HG1 ILE 49 13.057 -2.435 -5.630 390 HG13 ILE 49 1HG1 ILE 49 14.731 -1.925 -5.792 391 HG21 ILE 49 1HG2 ILE 49 11.294 -0.825 -4.955 392 HG22 ILE 49 2HG2 ILE 49 11.714 0.739 -4.268 393 HG23 ILE 49 3HG2 ILE 49 12.094 -0.732 -3.389 394 HD11 ILE 49 3HD1 ILE 49 14.505 -3.433 -3.872 395 HD12 ILE 49 1HD1 ILE 49 13.274 -2.385 -3.169 396 HD13 ILE 49 2HD1 ILE 49 14.934 -1.814 -3.319 397 H ASP 50 H ASP 50 11.305 1.509 -7.512 398 HA ASP 50 HA ASP 50 12.132 4.226 -6.577 399 HB2 ASP 50 2HB ASP 50 12.047 3.907 -9.048 400 HB3 ASP 50 1HB ASP 50 10.353 3.447 -8.916 401 H SER 51 H SER 51 9.716 1.758 -6.545 402 HA SER 51 HA SER 51 8.257 2.963 -4.395 403 HB2 SER 51 2HB SER 51 6.134 3.357 -5.539 404 HB3 SER 51 1HB SER 51 7.390 4.350 -6.271 405 HG SER 51 HG SER 51 7.030 3.333 -8.068 406 H ILE 52 H ILE 52 6.425 1.651 -3.726 407 HA ILE 52 HA ILE 52 6.635 -1.201 -4.571 408 HB ILE 52 HB ILE 52 5.770 -0.048 -1.898 409 HG12 ILE 52 2HG1 ILE 52 8.319 -1.554 -2.656 410 HG13 ILE 52 1HG1 ILE 52 8.242 0.189 -2.421 411 HG21 ILE 52 1HG2 ILE 52 4.662 -2.202 -2.419 412 HG22 ILE 52 2HG2 ILE 52 5.868 -2.452 -1.174 413 HG23 ILE 52 3HG2 ILE 52 6.214 -2.916 -2.837 414 HD11 ILE 52 3HD1 ILE 52 7.646 -1.919 -0.337 415 HD12 ILE 52 1HD1 ILE 52 7.452 -0.185 -0.092 416 HD13 ILE 52 2HD1 ILE 52 9.051 -0.864 -0.385 417 H THR 53 H THR 53 4.913 -1.893 -5.665 418 HA THR 53 HA THR 53 2.311 -0.464 -5.535 419 HB THR 53 HB THR 53 3.224 -2.644 -7.470 420 HG1 THR 53 1HG THR 53 4.495 -0.789 -7.669 421 HG21 THR 53 3HG2 THR 53 0.948 -0.637 -7.580 422 HG22 THR 53 1HG2 THR 53 0.766 -2.368 -7.296 423 HG23 THR 53 2HG2 THR 53 1.357 -1.786 -8.849 424 H VAL 54 H VAL 54 0.590 -1.421 -4.494 425 HA VAL 54 HA VAL 54 0.700 -4.330 -3.884 426 HB VAL 54 HB VAL 54 -0.163 -2.159 -1.949 427 HG11 VAL 54 1HG1 VAL 54 0.269 -5.156 -1.632 428 HG12 VAL 54 2HG1 VAL 54 -1.274 -4.307 -1.560 429 HG13 VAL 54 3HG1 VAL 54 -0.066 -4.047 -0.304 430 HG21 VAL 54 3HG2 VAL 54 2.440 -3.736 -2.114 431 HG22 VAL 54 1HG2 VAL 54 1.953 -2.760 -0.731 432 HG23 VAL 54 2HG2 VAL 54 2.248 -1.989 -2.281 433 HA PRO 55 HA PRO 55 -3.397 -3.056 -5.641 434 HB2 PRO 55 2HB PRO 55 -3.939 -5.192 -7.221 435 HB3 PRO 55 1HB PRO 55 -2.735 -3.975 -7.707 436 HG2 PRO 55 2HG PRO 55 -2.275 -6.670 -6.442 437 HG3 PRO 55 1HG PRO 55 -1.432 -5.926 -7.819 438 HD2 PRO 55 2HD PRO 55 -0.431 -5.876 -5.232 439 HD3 PRO 55 1HD PRO 55 -0.049 -4.612 -6.427 440 H VAL 56 H VAL 56 -5.454 -3.533 -4.930 441 HA VAL 56 HA VAL 56 -5.859 -5.948 -3.229 442 HB VAL 56 HB VAL 56 -6.700 -3.100 -2.550 443 HG11 VAL 56 1HG1 VAL 56 -7.397 -4.197 -0.364 444 HG12 VAL 56 2HG1 VAL 56 -7.121 -5.764 -1.125 445 HG13 VAL 56 3HG1 VAL 56 -8.381 -4.695 -1.742 446 HG21 VAL 56 3HG2 VAL 56 -4.634 -4.952 -1.299 447 HG22 VAL 56 1HG2 VAL 56 -5.111 -3.378 -0.657 448 HG23 VAL 56 2HG2 VAL 56 -4.292 -3.482 -2.215 449 H ASP 57 H ASP 57 -7.642 -7.017 -3.698 450 HA ASP 57 HA ASP 57 -9.390 -6.233 -5.832 451 HB2 ASP 57 2HB ASP 57 -10.619 -8.297 -5.257 452 HB3 ASP 57 1HB ASP 57 -8.887 -8.591 -5.374 453 H ILE 58 H ILE 58 -11.177 -4.988 -5.708 454 HA ILE 58 HA ILE 58 -12.288 -4.250 -3.068 455 HB ILE 58 HB ILE 58 -13.392 -2.424 -4.363 456 HG12 ILE 58 2HG1 ILE 58 -11.675 -3.380 -6.694 457 HG13 ILE 58 1HG1 ILE 58 -13.405 -3.663 -6.590 458 HG21 ILE 58 1HG2 ILE 58 -11.350 -1.102 -4.724 459 HG22 ILE 58 2HG2 ILE 58 -10.383 -2.577 -4.751 460 HG23 ILE 58 3HG2 ILE 58 -11.188 -2.075 -3.265 461 HD11 ILE 58 3HD1 ILE 58 -12.051 -0.957 -6.670 462 HD12 ILE 58 1HD1 ILE 58 -13.782 -1.211 -6.457 463 HD13 ILE 58 2HD1 ILE 58 -12.996 -1.694 -7.959 464 H SER 59 H SER 59 -12.905 -6.253 -5.741 465 HA SER 59 HA SER 59 -15.688 -6.096 -6.004 466 HB2 SER 59 2HB SER 59 -13.910 -8.526 -6.323 467 HB3 SER 59 1HB SER 59 -15.537 -8.345 -6.976 468 HG SER 59 HG SER 59 -13.172 -7.422 -7.923 469 H GLN 60 H GLN 60 -13.716 -7.961 -3.710 470 HA GLN 60 HA GLN 60 -16.038 -9.251 -2.495 471 HB2 GLN 60 2HB GLN 60 -13.588 -10.185 -2.805 472 HB3 GLN 60 1HB GLN 60 -13.207 -9.248 -1.367 473 HG2 GLN 60 2HG GLN 60 -13.763 -11.464 -0.589 474 HG3 GLN 60 1HG GLN 60 -15.157 -10.462 -0.205 475 HE21 GLN 60 1HE2 GLN 60 -13.954 -12.897 -2.536 476 HE22 GLN 60 2HE2 GLN 60 -15.494 -13.382 -3.063 477 H VAL 61 H VAL 61 -14.613 -6.212 -2.277 478 HA VAL 61 HA VAL 61 -15.112 -5.816 0.609 479 HB VAL 61 HB VAL 61 -14.051 -3.872 -1.477 480 HG11 VAL 61 1HG1 VAL 61 -14.086 -3.785 1.564 481 HG12 VAL 61 2HG1 VAL 61 -14.974 -2.718 0.477 482 HG13 VAL 61 3HG1 VAL 61 -13.220 -2.637 0.541 483 HG21 VAL 61 3HG2 VAL 61 -12.560 -5.831 -1.196 484 HG22 VAL 61 1HG2 VAL 61 -12.566 -5.586 0.550 485 HG23 VAL 61 2HG2 VAL 61 -11.830 -4.383 -0.509 486 H THR 62 H THR 62 -17.136 -5.373 1.176 487 HA THR 62 HA THR 62 -18.773 -3.465 -0.431 488 HB THR 62 HB THR 62 -20.743 -4.852 -0.002 489 HG1 THR 62 1HG THR 62 -20.500 -6.063 1.700 490 HG21 THR 62 3HG2 THR 62 -20.193 -6.744 -1.470 491 HG22 THR 62 1HG2 THR 62 -18.473 -6.503 -1.158 492 HG23 THR 62 2HG2 THR 62 -19.385 -5.288 -2.052 493 H GLU 63 H GLU 63 -17.187 -3.931 2.355 494 HA GLU 63 HA GLU 63 -18.866 -2.042 3.836 495 HB2 GLU 63 2HB GLU 63 -18.894 -3.489 5.867 496 HB3 GLU 63 1HB GLU 63 -19.818 -4.176 4.533 497 HG2 GLU 63 2HG GLU 63 -17.910 -5.635 3.947 498 HG3 GLU 63 1HG GLU 63 -16.977 -4.965 5.282 499 H ASP 64 H ASP 64 -17.801 -1.223 5.767 500 HA ASP 64 HA ASP 64 -15.109 -0.496 5.284 501 HB2 ASP 64 2HB ASP 64 -16.719 -0.376 7.858 502 HB3 ASP 64 1HB ASP 64 -15.195 0.465 7.575 503 H THR 65 H THR 65 -13.201 -1.299 6.026 504 HA THR 65 HA THR 65 -12.967 -3.218 8.158 505 HB THR 65 HB THR 65 -13.830 -4.775 6.498 506 HG1 THR 65 1HG THR 65 -12.322 -5.900 7.445 507 HG21 THR 65 3HG2 THR 65 -13.322 -3.431 4.476 508 HG22 THR 65 1HG2 THR 65 -12.735 -5.085 4.322 509 HG23 THR 65 2HG2 THR 65 -11.607 -3.781 4.681 510 H SER 66 H SER 66 -10.683 -4.111 8.225 511 HA SER 66 HA SER 66 -8.662 -2.446 6.877 512 HB2 SER 66 2HB SER 66 -8.882 -2.592 9.902 513 HB3 SER 66 1HB SER 66 -7.600 -1.801 8.989 514 HG SER 66 HG SER 66 -9.973 -0.841 9.705 515 H LYS 67 H LYS 67 -6.753 -3.483 6.621 516 HA LYS 67 HA LYS 67 -6.192 -5.980 8.093 517 HB2 LYS 67 2HB LYS 67 -5.766 -7.190 5.918 518 HB3 LYS 67 1HB LYS 67 -7.464 -6.818 6.215 519 HG2 LYS 67 2HG LYS 67 -7.294 -4.824 4.765 520 HG3 LYS 67 1HG LYS 67 -5.597 -5.194 4.455 521 HD2 LYS 67 2HD LYS 67 -6.239 -7.344 3.441 522 HD3 LYS 67 1HD LYS 67 -7.938 -7.013 3.784 523 HE2 LYS 67 2HE LYS 67 -7.851 -5.024 2.330 524 HE3 LYS 67 1HE LYS 67 -6.151 -5.336 1.990 525 HZ1 LYS 67 3HZ LYS 67 -7.790 -7.634 1.551 526 HZ2 LYS 67 1HZ LYS 67 -6.675 -6.887 0.514 527 HZ3 LYS 67 2HZ LYS 67 -8.274 -6.315 0.596 528 H THR 68 H THR 68 -4.083 -6.532 8.206 529 HA THR 68 HA THR 68 -2.165 -4.403 7.623 530 HB THR 68 HB THR 68 -1.642 -7.157 8.818 531 HG1 THR 68 1HG THR 68 -1.748 -5.942 10.786 532 HG21 THR 68 3HG2 THR 68 0.347 -6.006 9.779 533 HG22 THR 68 1HG2 THR 68 -0.073 -4.548 8.886 534 HG23 THR 68 2HG2 THR 68 0.395 -6.011 8.019 535 H LEU 69 H LEU 69 -0.663 -4.402 6.032 536 HA LEU 69 HA LEU 69 -0.607 -6.681 4.098 537 HB2 LEU 69 2HB LEU 69 -0.090 -3.729 3.580 538 HB3 LEU 69 1HB LEU 69 -0.147 -5.014 2.371 539 HG LEU 69 HG LEU 69 -2.467 -4.089 4.112 540 HD11 LEU 69 1HD1 LEU 69 -3.416 -3.226 2.026 541 HD12 LEU 69 2HD1 LEU 69 -2.025 -3.813 1.120 542 HD13 LEU 69 3HD1 LEU 69 -1.826 -2.511 2.291 543 HD21 LEU 69 3HD2 LEU 69 -2.209 -6.367 2.113 544 HD22 LEU 69 1HD2 LEU 69 -3.771 -5.604 2.394 545 HD23 LEU 69 2HD2 LEU 69 -2.936 -6.387 3.720 546 H GLU 70 H GLU 70 1.248 -7.708 3.908 547 HA GLU 70 HA GLU 70 3.687 -6.631 5.151 548 HB2 GLU 70 2HB GLU 70 4.567 -8.922 4.794 549 HB3 GLU 70 1HB GLU 70 3.069 -8.920 5.721 550 HG2 GLU 70 2HG GLU 70 1.813 -9.438 3.605 551 HG3 GLU 70 1HG GLU 70 3.350 -9.566 2.760 552 H LEU 71 H LEU 71 5.364 -5.865 4.012 553 HA LEU 71 HA LEU 71 5.254 -5.946 1.025 554 HB2 LEU 71 2HB LEU 71 6.853 -4.031 2.768 555 HB3 LEU 71 1HB LEU 71 6.489 -3.879 1.048 556 HG LEU 71 HG LEU 71 4.490 -3.719 3.343 557 HD11 LEU 71 1HD1 LEU 71 4.258 -1.366 2.625 558 HD12 LEU 71 2HD1 LEU 71 5.482 -1.623 1.381 559 HD13 LEU 71 3HD1 LEU 71 5.920 -1.726 3.083 560 HD21 LEU 71 3HD2 LEU 71 3.304 -4.697 1.478 561 HD22 LEU 71 1HD2 LEU 71 4.076 -3.607 0.328 562 HD23 LEU 71 2HD2 LEU 71 2.891 -2.994 1.481 563 H LYS 72 H LYS 72 6.779 -7.019 -0.057 564 HA LYS 72 HA LYS 72 9.361 -7.722 1.273 565 HB2 LYS 72 2HB LYS 72 7.572 -9.538 -0.387 566 HB3 LYS 72 1HB LYS 72 9.205 -9.942 0.144 567 HG2 LYS 72 2HG LYS 72 8.507 -9.691 2.502 568 HG3 LYS 72 1HG LYS 72 6.870 -9.292 1.979 569 HD2 LYS 72 2HD LYS 72 6.650 -11.503 0.919 570 HD3 LYS 72 1HD LYS 72 8.298 -11.909 1.395 571 HE2 LYS 72 2HE LYS 72 6.667 -12.881 2.970 572 HE3 LYS 72 1HE LYS 72 7.675 -11.678 3.774 573 HZ1 LYS 72 3HZ LYS 72 5.169 -11.578 4.143 574 HZ2 LYS 72 1HZ LYS 72 5.080 -10.948 2.572 575 HZ3 LYS 72 2HZ LYS 72 5.967 -10.127 3.766 576 H ALA 73 H ALA 73 11.138 -7.589 -0.014 577 HA ALA 73 HA ALA 73 10.840 -7.018 -2.910 578 HB1 ALA 73 1HB ALA 73 10.952 -4.822 -1.875 579 HB2 ALA 73 2HB ALA 73 12.532 -5.155 -2.585 580 HB3 ALA 73 3HB ALA 73 12.289 -5.327 -0.848 581 H GLU 74 H GLU 74 12.516 -7.799 -4.124 582 HA GLU 74 HA GLU 74 14.260 -9.741 -2.816 583 HB2 GLU 74 2HB GLU 74 13.857 -9.024 -5.732 584 HB3 GLU 74 1HB GLU 74 14.849 -10.363 -5.153 585 HG2 GLU 74 2HG GLU 74 11.899 -10.055 -4.507 586 HG3 GLU 74 1HG GLU 74 12.513 -11.035 -5.830 587 H GLY 75 H GLY 75 16.282 -9.614 -2.456 588 HA2 GLY 75 2HA GLY 75 18.545 -9.012 -2.785 589 HA3 GLY 75 1HA GLY 75 18.048 -7.663 -3.796 590 H VAL 76 H VAL 76 16.016 -7.154 -1.417 591 HA VAL 76 HA VAL 76 17.928 -5.861 0.479 592 HB VAL 76 HB VAL 76 16.639 -3.821 0.485 593 HG11 VAL 76 1HG1 VAL 76 18.312 -4.101 -1.349 594 HG12 VAL 76 2HG1 VAL 76 17.002 -3.013 -1.794 595 HG13 VAL 76 3HG1 VAL 76 17.026 -4.665 -2.410 596 HG21 VAL 76 3HG2 VAL 76 14.699 -5.295 -1.359 597 HG22 VAL 76 1HG2 VAL 76 14.670 -3.541 -1.147 598 HG23 VAL 76 2HG2 VAL 76 14.350 -4.599 0.224 599 H THR 77 H THR 77 16.821 -5.276 2.558 600 HA THR 77 HA THR 77 14.703 -7.272 3.276 601 HB THR 77 HB THR 77 16.683 -5.982 5.219 602 HG1 THR 77 1HG THR 77 18.039 -7.218 4.165 603 HG21 THR 77 3HG2 THR 77 14.955 -8.472 5.407 604 HG22 THR 77 1HG2 THR 77 14.610 -6.931 6.194 605 HG23 THR 77 2HG2 THR 77 16.035 -7.862 6.661 606 H VAL 78 H VAL 78 12.789 -6.253 3.387 607 HA VAL 78 HA VAL 78 12.624 -3.384 4.039 608 HB VAL 78 HB VAL 78 10.332 -5.328 3.454 609 HG11 VAL 78 1HG1 VAL 78 10.611 -2.321 3.111 610 HG12 VAL 78 2HG1 VAL 78 9.724 -3.128 4.405 611 HG13 VAL 78 3HG1 VAL 78 9.178 -3.276 2.736 612 HG21 VAL 78 3HG2 VAL 78 10.501 -4.530 1.075 613 HG22 VAL 78 1HG2 VAL 78 11.872 -5.516 1.577 614 HG23 VAL 78 2HG2 VAL 78 12.038 -3.771 1.474 615 H GLN 79 H GLN 79 12.006 -2.652 6.061 616 HA GLN 79 HA GLN 79 10.481 -4.371 7.818 617 HB2 GLN 79 2HB GLN 79 12.275 -4.054 9.722 618 HB3 GLN 79 1HB GLN 79 12.482 -5.343 8.542 619 HG2 GLN 79 2HG GLN 79 14.584 -4.120 8.888 620 HG3 GLN 79 1HG GLN 79 14.022 -3.942 7.233 621 HE21 GLN 79 1HE2 GLN 79 14.580 -1.864 6.602 622 HE22 GLN 79 2HE2 GLN 79 14.301 -0.460 7.516 623 HA PRO 80 HA PRO 80 9.692 -4.204 10.149 624 HB2 PRO 80 2HB PRO 80 7.221 -3.407 11.039 625 HB3 PRO 80 1HB PRO 80 8.721 -2.909 11.858 626 HG2 PRO 80 2HG PRO 80 7.099 -1.386 9.814 627 HG3 PRO 80 1HG PRO 80 7.743 -0.811 11.371 628 HD2 PRO 80 2HD PRO 80 9.048 -0.288 9.028 629 HD3 PRO 80 1HD PRO 80 9.953 -0.607 10.525 630 H SER 81 H SER 81 8.514 -2.491 7.518 631 HA SER 81 HA SER 81 7.339 -3.021 5.645 632 HB2 SER 81 2HB SER 81 7.728 -5.165 4.767 633 HB3 SER 81 1HB SER 81 9.044 -4.966 5.904 634 HG SER 81 HG SER 81 7.032 -6.765 5.884 635 H THR 82 H THR 82 5.909 -2.879 8.275 636 HA THR 82 HA THR 82 3.366 -4.156 7.404 637 HB THR 82 HB THR 82 2.915 -4.535 9.865 638 HG1 THR 82 1HG THR 82 4.480 -3.059 10.634 639 HG21 THR 82 3HG2 THR 82 4.395 -6.520 10.069 640 HG22 THR 82 1HG2 THR 82 5.345 -5.937 8.709 641 HG23 THR 82 2HG2 THR 82 3.668 -6.406 8.468 642 H VAL 83 H VAL 83 1.646 -2.853 7.586 643 HA VAL 83 HA VAL 83 1.648 -0.413 9.206 644 HB VAL 83 HB VAL 83 1.006 1.024 7.221 645 HG11 VAL 83 1HG1 VAL 83 3.356 1.001 8.216 646 HG12 VAL 83 2HG1 VAL 83 3.274 1.513 6.536 647 HG13 VAL 83 3HG1 VAL 83 3.820 -0.111 6.930 648 HG21 VAL 83 3HG2 VAL 83 2.081 -1.348 5.645 649 HG22 VAL 83 1HG2 VAL 83 1.657 0.221 4.962 650 HG23 VAL 83 2HG2 VAL 83 0.407 -0.803 5.663 651 H LYS 84 H LYS 84 -0.490 0.499 9.387 652 HA LYS 84 HA LYS 84 -2.612 -1.518 8.966 653 HB2 LYS 84 2HB LYS 84 -2.541 1.066 10.567 654 HB3 LYS 84 1HB LYS 84 -3.898 -0.062 10.509 655 HG2 LYS 84 2HG LYS 84 -2.466 -1.845 11.437 656 HG3 LYS 84 1HG LYS 84 -1.102 -0.727 11.494 657 HD2 LYS 84 2HD LYS 84 -2.360 0.730 13.047 658 HD3 LYS 84 1HD LYS 84 -3.723 -0.386 12.992 659 HE2 LYS 84 2HE LYS 84 -2.296 -2.175 13.926 660 HE3 LYS 84 1HE LYS 84 -0.935 -1.054 13.988 661 HZ1 LYS 84 3HZ LYS 84 -3.072 0.202 15.231 662 HZ2 LYS 84 1HZ LYS 84 -1.660 -0.398 15.957 663 HZ3 LYS 84 2HZ LYS 84 -3.038 -1.384 15.838 664 H VAL 85 H VAL 85 -4.225 -1.204 7.531 665 HA VAL 85 HA VAL 85 -4.489 1.436 6.155 666 HB VAL 85 HB VAL 85 -4.704 -1.313 4.870 667 HG11 VAL 85 1HG1 VAL 85 -6.143 0.360 3.785 668 HG12 VAL 85 2HG1 VAL 85 -4.759 0.016 2.756 669 HG13 VAL 85 3HG1 VAL 85 -4.797 1.496 3.710 670 HG21 VAL 85 3HG2 VAL 85 -2.374 -0.783 5.463 671 HG22 VAL 85 1HG2 VAL 85 -2.523 0.801 4.701 672 HG23 VAL 85 2HG2 VAL 85 -2.593 -0.662 3.720 673 H ASN 86 H ASN 86 -6.479 2.220 6.143 674 HA ASN 86 HA ASN 86 -8.766 0.476 6.966 675 HB2 ASN 86 2HB ASN 86 -8.415 3.482 7.226 676 HB3 ASN 86 1HB ASN 86 -9.816 2.549 7.755 677 HD21 ASN 86 1HD2 ASN 86 -7.556 4.130 9.255 678 HD22 ASN 86 2HD2 ASN 86 -7.065 3.033 10.454 679 H LEU 87 H LEU 87 -10.191 0.060 5.424 680 HA LEU 87 HA LEU 87 -10.317 1.754 2.974 681 HB2 LEU 87 2HB LEU 87 -11.292 -1.105 3.365 682 HB3 LEU 87 1HB LEU 87 -11.134 -0.228 1.842 683 HG LEU 87 HG LEU 87 -8.838 -1.038 3.674 684 HD11 LEU 87 1HD1 LEU 87 -8.256 -2.597 1.851 685 HD12 LEU 87 2HD1 LEU 87 -9.679 -2.077 0.947 686 HD13 LEU 87 3HD1 LEU 87 -9.871 -2.935 2.477 687 HD21 LEU 87 3HD2 LEU 87 -8.890 0.463 1.019 688 HD22 LEU 87 1HD2 LEU 87 -7.435 -0.323 1.630 689 HD23 LEU 87 2HD2 LEU 87 -8.160 0.990 2.535 690 H LYS 88 H LYS 88 -11.918 3.228 3.202 691 HA LYS 88 HA LYS 88 -14.375 2.556 4.670 692 HB2 LYS 88 2HB LYS 88 -13.462 5.130 3.332 693 HB3 LYS 88 1HB LYS 88 -14.904 4.936 4.326 694 HG2 LYS 88 2HG LYS 88 -13.467 4.262 6.250 695 HG3 LYS 88 1HG LYS 88 -12.045 4.480 5.238 696 HD2 LYS 88 2HD LYS 88 -12.128 6.544 6.411 697 HD3 LYS 88 1HD LYS 88 -12.935 6.951 4.902 698 HE2 LYS 88 2HE LYS 88 -14.189 7.825 6.834 699 HE3 LYS 88 1HE LYS 88 -15.141 6.603 6.007 700 HZ1 LYS 88 3HZ LYS 88 -14.931 5.144 7.706 701 HZ2 LYS 88 1HZ LYS 88 -14.769 6.573 8.606 702 HZ3 LYS 88 2HZ LYS 88 -13.387 5.695 8.152 703 H VAL 89 H VAL 89 -16.166 1.925 3.648 704 HA VAL 89 HA VAL 89 -16.316 2.012 0.681 705 HB VAL 89 HB VAL 89 -17.940 0.384 2.683 706 HG11 VAL 89 1HG1 VAL 89 -18.557 -0.931 0.656 707 HG12 VAL 89 2HG1 VAL 89 -17.665 0.214 -0.343 708 HG13 VAL 89 3HG1 VAL 89 -19.102 0.738 0.530 709 HG21 VAL 89 3HG2 VAL 89 -16.521 -1.512 1.909 710 HG22 VAL 89 1HG2 VAL 89 -15.567 -0.275 2.725 711 HG23 VAL 89 2HG2 VAL 89 -15.547 -0.385 0.965 712 H THR 90 H THR 90 -17.817 3.269 -0.295 713 HA THR 90 HA THR 90 -19.674 4.865 1.395 714 HB THR 90 HB THR 90 -18.829 5.242 -1.505 715 HG1 THR 90 1HG THR 90 -17.497 5.647 0.716 716 HG21 THR 90 3HG2 THR 90 -19.753 7.530 -1.154 717 HG22 THR 90 1HG2 THR 90 -20.318 7.040 0.441 718 HG23 THR 90 2HG2 THR 90 -20.997 6.292 -1.005 719 H GLN 91 H GLN 91 -21.709 4.093 1.513 720 HA GLN 91 HA GLN 91 -22.700 2.096 -0.345 721 HB2 GLN 91 2HB GLN 91 -24.115 3.583 1.898 722 HB3 GLN 91 1HB GLN 91 -24.713 2.146 1.070 723 HG2 GLN 91 2HG GLN 91 -22.141 2.289 2.686 724 HG3 GLN 91 1HG GLN 91 -23.654 1.600 3.258 725 HE21 GLN 91 1HE2 GLN 91 -20.729 0.662 2.059 726 HE22 GLN 91 2HE2 GLN 91 -21.178 -0.773 1.274 727 H LYS 92 H LYS 92 -23.947 2.436 -2.112 728 HA LYS 92 HA LYS 92 -24.299 5.043 -3.163 729 HB2 LYS 92 2HB LYS 92 -24.203 2.940 -4.525 730 HB3 LYS 92 1HB LYS 92 -25.812 2.518 -3.943 731 HG2 LYS 92 2HG LYS 92 -26.728 4.591 -4.941 732 HG3 LYS 92 1HG LYS 92 -25.114 5.049 -5.486 733 HD2 LYS 92 2HD LYS 92 -25.014 3.003 -6.883 734 HD3 LYS 92 1HD LYS 92 -26.634 2.563 -6.343 735 HE2 LYS 92 2HE LYS 92 -27.534 4.640 -7.328 736 HE3 LYS 92 1HE LYS 92 -25.915 5.090 -7.864 737 HZ1 LYS 92 3HZ LYS 92 -27.213 2.546 -8.649 738 HZ2 LYS 92 1HZ LYS 92 -25.835 3.268 -9.326 739 HZ3 LYS 92 2HZ LYS 92 -27.364 3.972 -9.559 740 H LEU 93 H LEU 93 -26.006 6.456 -3.094 741 HA LEU 93 HA LEU 93 -27.892 6.230 -0.951 742 HB2 LEU 93 2HB LEU 93 -27.478 8.170 -3.244 743 HB3 LEU 93 1HB LEU 93 -28.892 8.325 -2.210 744 HG LEU 93 HG LEU 93 -27.001 9.788 -1.487 745 HD11 LEU 93 1HD1 LEU 93 -27.232 7.808 0.779 746 HD12 LEU 93 2HD1 LEU 93 -28.715 8.545 0.185 747 HD13 LEU 93 3HD1 LEU 93 -27.409 9.558 0.776 748 HD21 LEU 93 3HD2 LEU 93 -25.531 7.237 -0.713 749 HD22 LEU 93 1HD2 LEU 93 -24.939 8.896 -0.625 750 HD23 LEU 93 2HD2 LEU 93 -25.181 8.133 -2.194 751 H GLU 94 H GLU 94 -29.869 5.382 -0.930 752 HA GLU 94 HA GLU 94 -30.940 4.038 -3.305 753 HB2 GLU 94 2HB GLU 94 -31.897 4.186 -0.423 754 HB3 GLU 94 1HB GLU 94 -32.600 3.158 -1.674 755 HG2 GLU 94 2HG GLU 94 -30.420 2.016 -1.955 756 HG3 GLU 94 1HG GLU 94 -29.724 3.038 -0.703 757 H HIS 95 H HIS 95 -33.601 4.194 -3.028 758 HA HIS 95 HA HIS 95 -34.289 6.688 -4.177 759 HB2 HIS 95 2HB HIS 95 -36.639 5.852 -3.910 760 HB3 HIS 95 1HB HIS 95 -35.564 4.665 -4.651 761 HD2 HIS 95 2HD HIS 95 -35.306 2.282 -3.228 762 HE1 HIS 95 1HE HIS 95 -37.362 3.497 0.254 763 HE2 HIS 95 2HE HIS 95 -36.277 1.527 -0.925 764 H HIS 96 H HIS 96 -35.283 8.499 -3.331 765 HA HIS 96 HA HIS 96 -34.760 9.230 -0.654 766 HB2 HIS 96 2HB HIS 96 -36.743 10.423 -2.622 767 HB3 HIS 96 1HB HIS 96 -36.160 11.210 -1.155 768 HD2 HIS 96 2HD HIS 96 -35.144 10.910 -4.826 769 HE1 HIS 96 1HE HIS 96 -31.693 12.218 -2.777 770 HE2 HIS 96 2HE HIS 96 -32.731 11.874 -5.069 771 H HIS 97 H HIS 97 -37.784 8.250 -2.260 772 HA HIS 97 HA HIS 97 -38.817 6.971 0.086 773 HB2 HIS 97 2HB HIS 97 -40.744 8.500 0.453 774 HB3 HIS 97 1HB HIS 97 -39.204 9.284 0.804 775 HD2 HIS 97 2HD HIS 97 -39.118 11.769 -0.369 776 HE1 HIS 97 1HE HIS 97 -41.579 10.968 -3.706 777 HE2 HIS 97 2HE HIS 97 -40.206 12.753 -2.531 778 H HIS 98 H HIS 98 -40.864 5.951 -0.297 779 HA HIS 98 HA HIS 98 -41.208 5.040 -2.997 780 HB2 HIS 98 2HB HIS 98 -43.000 4.691 -0.567 781 HB3 HIS 98 1HB HIS 98 -43.110 3.772 -2.069 782 HD2 HIS 98 2HD HIS 98 -41.027 1.848 -2.445 783 HE1 HIS 98 1HE HIS 98 -39.334 2.318 1.395 784 HE2 HIS 98 2HE HIS 98 -39.318 0.900 -0.713 785 H HIS 99 H HIS 99 -42.861 5.494 -4.456 786 HA HIS 99 HA HIS 99 -45.044 7.287 -3.810 787 HB2 HIS 99 2HB HIS 99 -43.140 8.884 -4.086 788 HB3 HIS 99 1HB HIS 99 -42.883 8.270 -5.718 789 HD2 HIS 99 2HD HIS 99 -44.560 9.402 -7.642 790 HE1 HIS 99 1HE HIS 99 -47.165 11.412 -4.995 791 HE2 HIS 99 2HE HIS 99 -46.579 11.046 -7.440 792 H HIS 100 H HIS 100 -43.827 4.751 -5.392 793 HA HIS 100 HA HIS 100 -44.461 3.458 -7.177 794 HB2 HIS 100 2HB HIS 100 -47.056 5.011 -6.899 795 HB3 HIS 100 1HB HIS 100 -46.852 3.463 -7.719 796 HD2 HIS 100 2HD HIS 100 -47.740 4.709 -4.244 797 HE1 HIS 100 1HE HIS 100 -46.302 0.778 -3.690 798 HE2 HIS 100 2HE HIS 100 -47.516 2.712 -2.578 Start of MODEL 5 1 H1 LYS 1 1HT LYS 1 37.361 0.434 4.442 2 H2 LYS 1 2HT LYS 1 36.994 1.031 2.893 3 H3 LYS 1 3HT LYS 1 38.356 0.045 3.125 4 HA LYS 1 HA LYS 1 35.733 -0.715 2.498 5 HB2 LYS 1 2HB LYS 1 37.887 -1.630 1.601 6 HB3 LYS 1 1HB LYS 1 38.192 -2.384 3.164 7 HG2 LYS 1 2HG LYS 1 36.128 -3.722 2.942 8 HG3 LYS 1 1HG LYS 1 35.777 -2.936 1.401 9 HD2 LYS 1 2HD LYS 1 37.889 -3.845 0.468 10 HD3 LYS 1 1HD LYS 1 38.213 -4.647 2.005 11 HE2 LYS 1 2HE LYS 1 35.818 -5.151 0.208 12 HE3 LYS 1 1HE LYS 1 37.200 -6.227 0.413 13 HZ1 LYS 1 2HZ LYS 1 36.307 -5.664 2.956 14 HZ2 LYS 1 3HZ LYS 1 36.111 -7.122 2.105 15 HZ3 LYS 1 1HZ LYS 1 34.898 -5.937 2.047 16 H ILE 2 H ILE 2 37.803 -1.449 5.308 17 HA ILE 2 HA ILE 2 35.876 -3.060 6.666 18 HB ILE 2 HB ILE 2 37.387 -2.743 8.635 19 HG12 ILE 2 2HG1 ILE 2 39.010 -0.958 6.757 20 HG13 ILE 2 1HG1 ILE 2 38.025 -0.340 8.075 21 HG21 ILE 2 1HG2 ILE 2 39.343 -3.854 7.619 22 HG22 ILE 2 2HG2 ILE 2 38.830 -3.318 6.021 23 HG23 ILE 2 3HG2 ILE 2 37.853 -4.479 6.918 24 HD11 ILE 2 3HD1 ILE 2 40.394 -2.212 8.357 25 HD12 ILE 2 1HD1 ILE 2 39.354 -1.693 9.684 26 HD13 ILE 2 2HD1 ILE 2 40.333 -0.512 8.817 27 H SER 3 H SER 3 36.369 0.368 6.411 28 HA SER 3 HA SER 3 35.079 1.246 8.763 29 HB2 SER 3 2HB SER 3 35.223 2.563 6.038 30 HB3 SER 3 1HB SER 3 34.767 3.370 7.537 31 HG SER 3 HG SER 3 36.852 2.702 8.348 32 H LEU 4 H LEU 4 32.928 1.764 9.201 33 HA LEU 4 HA LEU 4 30.952 0.162 7.954 34 HB2 LEU 4 2HB LEU 4 30.808 0.905 10.315 35 HB3 LEU 4 1HB LEU 4 30.604 2.566 9.775 36 HG LEU 4 HG LEU 4 28.471 1.944 8.653 37 HD11 LEU 4 1HD1 LEU 4 28.627 -0.323 8.015 38 HD12 LEU 4 2HD1 LEU 4 27.510 -0.399 9.369 39 HD13 LEU 4 3HD1 LEU 4 29.204 -0.845 9.599 40 HD21 LEU 4 3HD2 LEU 4 27.160 1.551 10.710 41 HD22 LEU 4 1HD2 LEU 4 28.438 2.733 10.989 42 HD23 LEU 4 2HD2 LEU 4 28.631 1.074 11.557 43 H ARG 5 H ARG 5 29.234 0.738 6.607 44 HA ARG 5 HA ARG 5 28.924 3.405 5.540 45 HB2 ARG 5 2HB ARG 5 29.490 2.743 3.188 46 HB3 ARG 5 1HB ARG 5 30.892 2.752 4.258 47 HG2 ARG 5 2HG ARG 5 30.701 0.301 4.543 48 HG3 ARG 5 1HG ARG 5 29.301 0.279 3.476 49 HD2 ARG 5 2HD ARG 5 30.686 1.185 1.644 50 HD3 ARG 5 1HD ARG 5 32.087 1.185 2.715 51 HE ARG 5 HE ARG 5 30.875 -1.409 2.575 52 HH11 ARG 5 1HH2 ARG 5 32.912 0.815 0.847 53 HH12 ARG 5 2HH2 ARG 5 33.755 -0.424 -0.020 54 HH21 ARG 5 1HH1 ARG 5 31.985 -3.025 1.436 55 HH22 ARG 5 2HH1 ARG 5 33.231 -2.593 0.313 56 H LYS 6 H LYS 6 27.201 1.679 6.880 57 HA LYS 6 HA LYS 6 25.545 0.079 5.274 58 HB2 LYS 6 2HB LYS 6 23.813 0.498 7.030 59 HB3 LYS 6 1HB LYS 6 25.378 0.072 7.720 60 HG2 LYS 6 2HG LYS 6 25.869 2.475 8.091 61 HG3 LYS 6 1HG LYS 6 24.294 2.902 7.424 62 HD2 LYS 6 2HD LYS 6 23.187 1.589 9.210 63 HD3 LYS 6 1HD LYS 6 24.769 1.210 9.896 64 HE2 LYS 6 2HE LYS 6 23.603 3.993 9.557 65 HE3 LYS 6 1HE LYS 6 23.761 3.120 11.081 66 HZ1 LYS 6 3HZ LYS 6 26.251 3.062 9.871 67 HZ2 LYS 6 1HZ LYS 6 25.796 3.942 11.248 68 HZ3 LYS 6 2HZ LYS 6 25.693 4.658 9.710 69 H LEU 7 H LEU 7 23.459 0.562 4.331 70 HA LEU 7 HA LEU 7 22.973 3.406 3.648 71 HB2 LEU 7 2HB LEU 7 24.143 2.146 1.780 72 HB3 LEU 7 1HB LEU 7 22.758 1.063 1.721 73 HG LEU 7 HG LEU 7 21.278 3.047 1.254 74 HD11 LEU 7 1HD1 LEU 7 23.882 4.546 1.531 75 HD12 LEU 7 2HD1 LEU 7 22.253 5.008 2.012 76 HD13 LEU 7 3HD1 LEU 7 22.726 5.119 0.328 77 HD21 LEU 7 3HD2 LEU 7 21.986 3.320 -1.082 78 HD22 LEU 7 1HD2 LEU 7 22.179 1.641 -0.578 79 HD23 LEU 7 2HD2 LEU 7 23.587 2.698 -0.685 80 H SER 8 H SER 8 20.842 3.971 3.469 81 HA SER 8 HA SER 8 18.701 2.028 3.538 82 HB2 SER 8 2HB SER 8 19.157 3.749 5.998 83 HB3 SER 8 1HB SER 8 17.798 2.662 5.717 84 HG SER 8 HG SER 8 19.056 1.244 6.622 85 H LYS 9 H LYS 9 16.826 2.929 2.862 86 HA LYS 9 HA LYS 9 16.486 5.846 2.758 87 HB2 LYS 9 2HB LYS 9 16.674 4.081 0.287 88 HB3 LYS 9 1HB LYS 9 15.989 5.707 0.271 89 HG2 LYS 9 2HG LYS 9 18.165 6.601 1.111 90 HG3 LYS 9 1HG LYS 9 18.845 4.979 1.031 91 HD2 LYS 9 2HD LYS 9 18.437 4.878 -1.374 92 HD3 LYS 9 1HD LYS 9 17.720 6.490 -1.334 93 HE2 LYS 9 2HE LYS 9 19.873 7.416 -0.522 94 HE3 LYS 9 1HE LYS 9 20.578 5.804 -0.590 95 HZ1 LYS 9 3HZ LYS 9 19.904 7.628 -2.756 96 HZ2 LYS 9 1HZ LYS 9 19.636 5.978 -3.047 97 HZ3 LYS 9 2HZ LYS 9 21.188 6.524 -2.622 98 H SER 10 H SER 10 14.365 6.393 1.884 99 HA SER 10 HA SER 10 12.276 4.353 2.548 100 HB2 SER 10 2HB SER 10 10.885 6.218 3.301 101 HB3 SER 10 1HB SER 10 12.419 6.237 4.172 102 HG SER 10 HG SER 10 11.491 7.908 2.108 103 H VAL 11 H VAL 11 10.688 4.029 1.058 104 HA VAL 11 HA VAL 11 10.640 5.734 -1.386 105 HB VAL 11 HB VAL 11 10.078 3.613 -2.649 106 HG11 VAL 11 1HG1 VAL 11 12.403 2.791 -2.728 107 HG12 VAL 11 2HG1 VAL 11 12.761 3.647 -1.226 108 HG13 VAL 11 3HG1 VAL 11 12.357 4.553 -2.683 109 HG21 VAL 11 3HG2 VAL 11 10.629 1.456 -1.578 110 HG22 VAL 11 1HG2 VAL 11 9.341 2.263 -0.690 111 HG23 VAL 11 2HG2 VAL 11 10.988 2.283 -0.062 112 HA PRO 12 HA PRO 12 6.273 5.933 -0.335 113 HB2 PRO 12 2HB PRO 12 5.189 6.933 -2.632 114 HB3 PRO 12 1HB PRO 12 6.290 7.913 -1.632 115 HG2 PRO 12 2HG PRO 12 6.936 6.281 -4.086 116 HG3 PRO 12 1HG PRO 12 7.352 7.977 -3.743 117 HD2 PRO 12 2HD PRO 12 9.148 5.969 -3.297 118 HD3 PRO 12 1HD PRO 12 9.064 7.385 -2.219 119 H VAL 13 H VAL 13 4.512 4.599 -0.424 120 HA VAL 13 HA VAL 13 4.597 2.262 -2.246 121 HB VAL 13 HB VAL 13 4.334 1.958 0.241 122 HG11 VAL 13 1HG1 VAL 13 1.499 3.027 -0.107 123 HG12 VAL 13 2HG1 VAL 13 2.808 4.028 0.500 124 HG13 VAL 13 3HG1 VAL 13 2.317 2.594 1.396 125 HG21 VAL 13 3HG2 VAL 13 3.553 0.239 -1.358 126 HG22 VAL 13 1HG2 VAL 13 1.979 1.029 -1.435 127 HG23 VAL 13 2HG2 VAL 13 2.525 0.300 0.072 128 H LYS 14 H LYS 14 3.112 1.996 -3.842 129 HA LYS 14 HA LYS 14 0.970 4.065 -4.184 130 HB2 LYS 14 2HB LYS 14 2.798 2.616 -6.091 131 HB3 LYS 14 1HB LYS 14 1.154 2.886 -6.657 132 HG2 LYS 14 2HG LYS 14 2.595 4.713 -7.386 133 HG3 LYS 14 1HG LYS 14 1.419 5.323 -6.227 134 HD2 LYS 14 2HD LYS 14 3.100 5.268 -4.440 135 HD3 LYS 14 1HD LYS 14 4.274 4.549 -5.534 136 HE2 LYS 14 2HE LYS 14 3.015 7.292 -5.837 137 HE3 LYS 14 1HE LYS 14 4.665 6.968 -5.309 138 HZ1 LYS 14 3HZ LYS 14 4.781 7.450 -7.595 139 HZ2 LYS 14 1HZ LYS 14 3.471 6.441 -7.969 140 HZ3 LYS 14 2HZ LYS 14 4.951 5.763 -7.482 141 H LEU 15 H LEU 15 -1.105 3.393 -4.184 142 HA LEU 15 HA LEU 15 -1.689 0.494 -3.910 143 HB2 LEU 15 2HB LEU 15 -2.370 2.196 -2.093 144 HB3 LEU 15 1HB LEU 15 -3.492 2.864 -3.267 145 HG LEU 15 HG LEU 15 -4.283 0.275 -3.482 146 HD11 LEU 15 1HD1 LEU 15 -2.533 -0.574 -1.920 147 HD12 LEU 15 2HD1 LEU 15 -4.158 -0.909 -1.339 148 HD13 LEU 15 3HD1 LEU 15 -3.225 0.409 -0.631 149 HD21 LEU 15 3HD2 LEU 15 -5.068 2.046 -1.141 150 HD22 LEU 15 1HD2 LEU 15 -6.015 0.693 -1.757 151 HD23 LEU 15 2HD2 LEU 15 -5.761 2.119 -2.761 152 H GLU 16 H GLU 16 -2.787 -0.496 -5.512 153 HA GLU 16 HA GLU 16 -4.156 1.153 -7.597 154 HB2 GLU 16 2HB GLU 16 -1.990 0.169 -8.381 155 HB3 GLU 16 1HB GLU 16 -2.617 -1.437 -8.024 156 HG2 GLU 16 2HG GLU 16 -4.460 -1.087 -9.635 157 HG3 GLU 16 1HG GLU 16 -3.876 0.541 -9.961 158 H LEU 17 H LEU 17 -6.252 0.847 -7.313 159 HA LEU 17 HA LEU 17 -7.410 -1.430 -6.025 160 HB2 LEU 17 2HB LEU 17 -9.542 -0.415 -6.682 161 HB3 LEU 17 1HB LEU 17 -8.458 0.762 -5.959 162 HG LEU 17 HG LEU 17 -7.812 0.981 -8.708 163 HD11 LEU 17 1HD1 LEU 17 -10.835 0.741 -8.522 164 HD12 LEU 17 2HD1 LEU 17 -9.787 -0.481 -9.232 165 HD13 LEU 17 3HD1 LEU 17 -9.880 1.124 -9.955 166 HD21 LEU 17 3HD2 LEU 17 -9.871 2.612 -7.174 167 HD22 LEU 17 1HD2 LEU 17 -9.031 3.126 -8.640 168 HD23 LEU 17 2HD2 LEU 17 -8.126 2.873 -7.149 169 H THR 18 H THR 18 -8.041 -3.324 -6.884 170 HA THR 18 HA THR 18 -8.176 -3.657 -9.849 171 HB THR 18 HB THR 18 -7.250 -5.907 -9.546 172 HG1 THR 18 1HG THR 18 -7.570 -5.197 -6.890 173 HG21 THR 18 3HG2 THR 18 -5.701 -4.016 -9.949 174 HG22 THR 18 1HG2 THR 18 -4.953 -5.261 -8.946 175 HG23 THR 18 2HG2 THR 18 -5.555 -3.779 -8.208 176 H GLY 19 H GLY 19 -9.941 -4.637 -10.601 177 HA2 GLY 19 2HA GLY 19 -11.666 -6.365 -10.405 178 HA3 GLY 19 1HA GLY 19 -11.866 -5.943 -8.711 179 H ASP 20 H ASP 20 -14.032 -6.027 -10.374 180 HA ASP 20 HA ASP 20 -14.706 -3.387 -11.400 181 HB2 ASP 20 2HB ASP 20 -16.928 -4.399 -11.788 182 HB3 ASP 20 1HB ASP 20 -15.638 -5.399 -12.446 183 H LYS 21 H LYS 21 -15.843 -1.798 -10.339 184 HA LYS 21 HA LYS 21 -16.023 -1.832 -7.495 185 HB2 LYS 21 2HB LYS 21 -17.324 0.007 -9.533 186 HB3 LYS 21 1HB LYS 21 -17.207 0.326 -7.799 187 HG2 LYS 21 2HG LYS 21 -14.742 0.256 -7.944 188 HG3 LYS 21 1HG LYS 21 -14.849 -0.066 -9.677 189 HD2 LYS 21 2HD LYS 21 -15.993 2.095 -10.017 190 HD3 LYS 21 1HD LYS 21 -15.905 2.421 -8.286 191 HE2 LYS 21 2HE LYS 21 -14.081 3.576 -9.460 192 HE3 LYS 21 1HE LYS 21 -13.425 2.318 -8.411 193 HZ1 LYS 21 3HZ LYS 21 -12.967 0.950 -10.194 194 HZ2 LYS 21 1HZ LYS 21 -12.593 2.482 -10.820 195 HZ3 LYS 21 2HZ LYS 21 -14.064 1.736 -11.229 196 H ALA 22 H ALA 22 -17.722 -2.271 -6.158 197 HA ALA 22 HA ALA 22 -19.820 -3.959 -7.031 198 HB1 ALA 22 1HB ALA 22 -19.247 -2.436 -4.489 199 HB2 ALA 22 2HB ALA 22 -19.162 -4.172 -4.751 200 HB3 ALA 22 3HB ALA 22 -20.730 -3.371 -4.647 201 H SER 23 H SER 23 -21.950 -3.580 -7.483 202 HA SER 23 HA SER 23 -22.680 -1.053 -8.579 203 HB2 SER 23 2HB SER 23 -23.578 -3.180 -9.430 204 HB3 SER 23 1HB SER 23 -24.424 -3.436 -7.908 205 HG SER 23 HG SER 23 -25.886 -2.051 -8.516 206 H ASN 24 H ASN 24 -22.960 -2.382 -5.385 207 HA ASN 24 HA ASN 24 -25.053 -0.468 -4.562 208 HB2 ASN 24 2HB ASN 24 -24.924 -1.688 -2.402 209 HB3 ASN 24 1HB ASN 24 -25.249 -2.762 -3.760 210 HD21 ASN 24 1HD2 ASN 24 -22.877 -1.924 -1.299 211 HD22 ASN 24 2HD2 ASN 24 -21.804 -3.191 -1.650 212 H VAL 25 H VAL 25 -21.868 -0.212 -5.101 213 HA VAL 25 HA VAL 25 -21.349 1.618 -2.781 214 HB VAL 25 HB VAL 25 -19.381 0.021 -4.456 215 HG11 VAL 25 1HG1 VAL 25 -18.396 2.157 -3.714 216 HG12 VAL 25 2HG1 VAL 25 -17.717 0.827 -2.799 217 HG13 VAL 25 3HG1 VAL 25 -18.952 1.852 -2.069 218 HG21 VAL 25 3HG2 VAL 25 -20.249 -0.266 -1.556 219 HG22 VAL 25 1HG2 VAL 25 -19.011 -1.234 -2.356 220 HG23 VAL 25 2HG2 VAL 25 -20.694 -1.359 -2.864 221 H SER 26 H SER 26 -21.186 3.692 -3.297 222 HA SER 26 HA SER 26 -21.306 4.642 -6.026 223 HB2 SER 26 2HB SER 26 -22.425 6.004 -4.421 224 HB3 SER 26 1HB SER 26 -21.059 5.964 -3.317 225 HG SER 26 HG SER 26 -20.244 7.603 -4.342 226 H SER 27 H SER 27 -18.867 4.660 -3.433 227 HA SER 27 HA SER 27 -16.676 4.582 -5.340 228 HB2 SER 27 2HB SER 27 -17.204 6.993 -5.342 229 HB3 SER 27 1HB SER 27 -17.061 7.031 -3.588 230 HG SER 27 HG SER 27 -15.149 7.332 -5.347 231 H ILE 28 H ILE 28 -14.578 4.550 -4.206 232 HA ILE 28 HA ILE 28 -14.709 3.600 -1.377 233 HB ILE 28 HB ILE 28 -13.104 2.295 -3.614 234 HG12 ILE 28 2HG1 ILE 28 -15.469 1.185 -2.039 235 HG13 ILE 28 1HG1 ILE 28 -15.617 1.849 -3.664 236 HG21 ILE 28 1HG2 ILE 28 -11.937 2.160 -1.447 237 HG22 ILE 28 2HG2 ILE 28 -12.598 0.583 -1.834 238 HG23 ILE 28 3HG2 ILE 28 -13.414 1.611 -0.660 239 HD11 ILE 28 3HD1 ILE 28 -15.440 -0.560 -3.820 240 HD12 ILE 28 1HD1 ILE 28 -13.960 -0.554 -2.860 241 HD13 ILE 28 2HD1 ILE 28 -13.971 0.162 -4.473 242 H SER 29 H SER 29 -12.982 4.116 -0.131 243 HA SER 29 HA SER 29 -10.711 5.642 -1.301 244 HB2 SER 29 2HB SER 29 -10.882 7.301 0.475 245 HB3 SER 29 1HB SER 29 -12.407 7.245 -0.409 246 HG SER 29 HG SER 29 -11.760 6.127 2.109 247 H TYR 30 H TYR 30 -8.904 5.796 0.207 248 HA TYR 30 HA TYR 30 -8.794 3.756 2.347 249 HB2 TYR 30 2HB TYR 30 -6.713 2.821 1.409 250 HB3 TYR 30 1HB TYR 30 -8.071 2.594 0.310 251 HD1 TYR 30 2HD TYR 30 -4.940 4.487 0.895 252 HD2 TYR 30 1HD TYR 30 -8.230 3.862 -1.808 253 HE1 TYR 30 2HE TYR 30 -3.729 5.726 -0.871 254 HE2 TYR 30 1HE TYR 30 -7.011 5.106 -3.569 255 HH TYR 30 HH TYR 30 -5.263 6.618 -3.877 256 H SER 31 H SER 31 -6.926 3.960 3.691 257 HA SER 31 HA SER 31 -5.360 6.457 3.524 258 HB2 SER 31 2HB SER 31 -5.982 7.065 5.860 259 HB3 SER 31 1HB SER 31 -7.357 7.142 4.762 260 HG SER 31 HG SER 31 -7.917 5.025 5.487 261 H PHE 32 H PHE 32 -3.660 6.519 5.135 262 HA PHE 32 HA PHE 32 -2.886 3.954 6.381 263 HB2 PHE 32 2HB PHE 32 -0.600 4.172 5.311 264 HB3 PHE 32 1HB PHE 32 -1.889 3.757 4.184 265 HD1 PHE 32 2HD PHE 32 0.151 6.617 5.484 266 HD2 PHE 32 1HD PHE 32 -2.456 5.251 2.343 267 HE1 PHE 32 2HE PHE 32 0.662 8.647 4.171 268 HE2 PHE 32 1HE PHE 32 -1.937 7.285 1.038 269 HZ PHE 32 HZ PHE 32 -0.380 8.984 1.949 270 H ASP 33 H ASP 33 -1.572 4.210 8.145 271 HA ASP 33 HA ASP 33 -1.515 6.789 9.415 272 HB2 ASP 33 2HB ASP 33 -1.773 4.676 10.674 273 HB3 ASP 33 1HB ASP 33 -0.148 4.194 10.196 274 H ARG 34 H ARG 34 0.843 4.786 7.707 275 HA ARG 34 HA ARG 34 2.870 6.982 7.849 276 HB2 ARG 34 2HB ARG 34 3.321 3.977 7.858 277 HB3 ARG 34 1HB ARG 34 4.591 5.205 7.827 278 HG2 ARG 34 2HG ARG 34 3.845 6.068 10.007 279 HG3 ARG 34 1HG ARG 34 2.530 4.891 10.041 280 HD2 ARG 34 2HD ARG 34 4.402 4.070 11.391 281 HD3 ARG 34 1HD ARG 34 4.211 3.048 9.968 282 HE ARG 34 HE ARG 34 6.057 5.134 9.410 283 HH11 ARG 34 1HH2 ARG 34 5.727 2.208 11.253 284 HH12 ARG 34 2HH2 ARG 34 7.419 1.839 11.216 285 HH21 ARG 34 1HH1 ARG 34 8.266 4.645 9.364 286 HH22 ARG 34 2HH1 ARG 34 8.853 3.217 10.150 287 H GLY 35 H GLY 35 1.996 4.023 6.069 288 HA2 GLY 35 2HA GLY 35 1.998 3.539 3.822 289 HA3 GLY 35 1HA GLY 35 1.753 5.259 3.554 290 H HIS 36 H HIS 36 4.574 4.183 5.296 291 HA HIS 36 HA HIS 36 6.314 4.152 2.946 292 HB2 HIS 36 2HB HIS 36 7.770 5.952 3.790 293 HB3 HIS 36 1HB HIS 36 6.155 6.571 3.456 294 HD2 HIS 36 2HD HIS 36 5.198 8.057 5.580 295 HE1 HIS 36 1HE HIS 36 7.452 6.249 8.656 296 HE2 HIS 36 2HE HIS 36 5.727 8.038 8.138 297 H VAL 37 H VAL 37 8.096 2.921 3.320 298 HA VAL 37 HA VAL 37 8.719 2.034 6.104 299 HB VAL 37 HB VAL 37 9.067 -0.256 5.216 300 HG11 VAL 37 1HG1 VAL 37 6.298 0.880 4.676 301 HG12 VAL 37 2HG1 VAL 37 6.907 0.362 6.249 302 HG13 VAL 37 3HG1 VAL 37 6.672 -0.817 4.965 303 HG21 VAL 37 3HG2 VAL 37 7.838 0.879 2.671 304 HG22 VAL 37 1HG2 VAL 37 8.179 -0.824 2.964 305 HG23 VAL 37 2HG2 VAL 37 9.502 0.324 2.839 306 H THR 38 H THR 38 10.902 1.128 6.288 307 HA THR 38 HA THR 38 12.817 2.600 4.560 308 HB THR 38 HB THR 38 13.244 1.262 7.265 309 HG1 THR 38 1HG THR 38 11.787 3.062 7.263 310 HG21 THR 38 3HG2 THR 38 15.288 2.681 7.297 311 HG22 THR 38 1HG2 THR 38 14.931 3.211 5.654 312 HG23 THR 38 2HG2 THR 38 15.324 1.522 5.973 313 H ILE 39 H ILE 39 14.208 1.520 3.283 314 HA ILE 39 HA ILE 39 14.280 -1.470 3.354 315 HB ILE 39 HB ILE 39 14.892 -1.226 0.894 316 HG12 ILE 39 2HG1 ILE 39 13.915 1.638 1.275 317 HG13 ILE 39 1HG1 ILE 39 15.614 1.219 1.103 318 HG21 ILE 39 1HG2 ILE 39 12.584 -1.769 1.627 319 HG22 ILE 39 2HG2 ILE 39 12.572 -0.803 0.163 320 HG23 ILE 39 3HG2 ILE 39 12.205 -0.054 1.718 321 HD11 ILE 39 3HD1 ILE 39 13.423 0.759 -0.938 322 HD12 ILE 39 1HD1 ILE 39 15.086 0.191 -1.112 323 HD13 ILE 39 2HD1 ILE 39 14.745 1.922 -1.046 324 H VAL 40 H VAL 40 16.262 -2.473 3.234 325 HA VAL 40 HA VAL 40 18.710 -0.756 3.375 326 HB VAL 40 HB VAL 40 18.118 -3.247 5.017 327 HG11 VAL 40 1HG1 VAL 40 20.518 -3.014 4.533 328 HG12 VAL 40 2HG1 VAL 40 20.222 -2.588 6.213 329 HG13 VAL 40 3HG1 VAL 40 20.473 -1.318 5.015 330 HG21 VAL 40 3HG2 VAL 40 18.239 -0.312 5.812 331 HG22 VAL 40 1HG2 VAL 40 18.052 -1.663 6.932 332 HG23 VAL 40 2HG2 VAL 40 16.783 -1.308 5.761 333 H GLY 41 H GLY 41 20.313 -1.349 2.071 334 HA2 GLY 41 2HA GLY 41 21.111 -3.895 1.307 335 HA3 GLY 41 1HA GLY 41 19.945 -3.390 0.094 336 H SER 42 H SER 42 21.776 -3.558 -1.377 337 HA SER 42 HA SER 42 24.002 -1.723 -1.190 338 HB2 SER 42 2HB SER 42 22.987 -3.344 -3.542 339 HB3 SER 42 1HB SER 42 24.549 -2.535 -3.436 340 HG SER 42 HG SER 42 23.630 -4.477 -1.582 341 H GLN 43 H GLN 43 24.426 -0.035 -2.802 342 HA GLN 43 HA GLN 43 22.303 1.816 -3.025 343 HB2 GLN 43 2HB GLN 43 24.755 2.383 -2.925 344 HB3 GLN 43 1HB GLN 43 24.921 1.775 -4.567 345 HG2 GLN 43 2HG GLN 43 24.682 4.194 -4.672 346 HG3 GLN 43 1HG GLN 43 23.207 3.483 -5.311 347 HE21 GLN 43 1HE2 GLN 43 21.289 4.240 -4.388 348 HE22 GLN 43 2HE2 GLN 43 21.192 5.072 -2.913 349 H GLU 44 H GLU 44 23.746 -0.435 -5.344 350 HA GLU 44 HA GLU 44 22.328 0.469 -7.626 351 HB2 GLU 44 2HB GLU 44 22.982 -1.713 -8.613 352 HB3 GLU 44 1HB GLU 44 24.335 -0.905 -7.820 353 HG2 GLU 44 2HG GLU 44 23.936 -2.319 -5.790 354 HG3 GLU 44 1HG GLU 44 22.673 -3.177 -6.663 355 H ALA 45 H ALA 45 21.535 -1.889 -5.108 356 HA ALA 45 HA ALA 45 19.258 -3.013 -6.375 357 HB1 ALA 45 1HB ALA 45 19.887 -2.741 -3.419 358 HB2 ALA 45 2HB ALA 45 20.444 -4.047 -4.467 359 HB3 ALA 45 3HB ALA 45 18.725 -3.853 -4.142 360 H MET 46 H MET 46 19.675 -0.287 -4.143 361 HA MET 46 HA MET 46 16.887 0.288 -3.828 362 HB2 MET 46 2HB MET 46 19.366 1.983 -3.369 363 HB3 MET 46 1HB MET 46 17.736 2.489 -2.922 364 HG2 MET 46 2HG MET 46 17.516 0.499 -1.470 365 HG3 MET 46 1HG MET 46 19.152 0.006 -1.907 366 HE1 MET 46 3HE MET 46 18.388 0.304 1.125 367 HE2 MET 46 1HE MET 46 19.901 1.056 1.642 368 HE3 MET 46 2HE MET 46 19.915 -0.182 0.396 369 H ASP 47 H ASP 47 19.374 1.391 -6.096 370 HA ASP 47 HA ASP 47 18.007 3.558 -7.227 371 HB2 ASP 47 2HB ASP 47 19.991 1.624 -8.470 372 HB3 ASP 47 1HB ASP 47 19.521 3.168 -9.182 373 H LYS 48 H LYS 48 17.716 0.079 -7.806 374 HA LYS 48 HA LYS 48 16.137 0.324 -10.210 375 HB2 LYS 48 2HB LYS 48 16.626 -1.976 -8.286 376 HB3 LYS 48 1HB LYS 48 15.723 -2.125 -9.796 377 HG2 LYS 48 2HG LYS 48 17.702 -1.376 -11.066 378 HG3 LYS 48 1HG LYS 48 18.612 -1.214 -9.566 379 HD2 LYS 48 2HD LYS 48 18.329 -3.630 -9.126 380 HD3 LYS 48 1HD LYS 48 17.415 -3.795 -10.625 381 HE2 LYS 48 2HE LYS 48 19.387 -3.035 -11.914 382 HE3 LYS 48 1HE LYS 48 20.302 -2.878 -10.413 383 HZ1 LYS 48 3HZ LYS 48 20.898 -4.972 -10.991 384 HZ2 LYS 48 1HZ LYS 48 19.465 -5.282 -11.843 385 HZ3 LYS 48 2HZ LYS 48 19.475 -5.357 -10.147 386 H ILE 49 H ILE 49 15.504 -0.061 -6.746 387 HA ILE 49 HA ILE 49 12.598 -0.257 -7.122 388 HB ILE 49 HB ILE 49 14.231 -0.015 -4.558 389 HG12 ILE 49 2HG1 ILE 49 13.097 -2.538 -5.861 390 HG13 ILE 49 1HG1 ILE 49 14.784 -2.054 -5.996 391 HG21 ILE 49 1HG2 ILE 49 11.852 0.574 -4.251 392 HG22 ILE 49 2HG2 ILE 49 12.168 -0.990 -3.517 393 HG23 ILE 49 3HG2 ILE 49 11.364 -0.901 -5.084 394 HD11 ILE 49 3HD1 ILE 49 13.324 -2.670 -3.410 395 HD12 ILE 49 1HD1 ILE 49 14.994 -2.111 -3.529 396 HD13 ILE 49 2HD1 ILE 49 14.541 -3.679 -4.193 397 H ASP 50 H ASP 50 11.440 1.525 -7.466 398 HA ASP 50 HA ASP 50 12.276 4.163 -6.321 399 HB2 ASP 50 2HB ASP 50 10.623 3.546 -8.794 400 HB3 ASP 50 1HB ASP 50 11.040 5.156 -8.206 401 H SER 51 H SER 51 9.912 1.689 -6.372 402 HA SER 51 HA SER 51 8.344 2.887 -4.303 403 HB2 SER 51 2HB SER 51 6.227 3.116 -5.580 404 HB3 SER 51 1HB SER 51 7.451 4.251 -6.136 405 HG SER 51 HG SER 51 6.475 1.907 -7.344 406 H ILE 52 H ILE 52 6.355 1.535 -3.881 407 HA ILE 52 HA ILE 52 6.743 -1.324 -4.663 408 HB ILE 52 HB ILE 52 5.873 -0.207 -1.982 409 HG12 ILE 52 2HG1 ILE 52 8.410 -1.727 -2.738 410 HG13 ILE 52 1HG1 ILE 52 8.343 0.021 -2.528 411 HG21 ILE 52 1HG2 ILE 52 5.995 -2.630 -1.278 412 HG22 ILE 52 2HG2 ILE 52 6.255 -3.068 -2.962 413 HG23 ILE 52 3HG2 ILE 52 4.733 -2.332 -2.464 414 HD11 ILE 52 3HD1 ILE 52 9.149 -1.006 -0.479 415 HD12 ILE 52 1HD1 ILE 52 7.732 -2.053 -0.408 416 HD13 ILE 52 2HD1 ILE 52 7.555 -0.310 -0.195 417 H THR 53 H THR 53 5.025 -2.112 -5.710 418 HA THR 53 HA THR 53 2.446 -0.688 -5.736 419 HB THR 53 HB THR 53 3.301 -3.187 -7.265 420 HG1 THR 53 1HG THR 53 4.446 -1.034 -7.540 421 HG21 THR 53 3HG2 THR 53 1.453 -2.536 -8.774 422 HG22 THR 53 1HG2 THR 53 1.065 -1.179 -7.719 423 HG23 THR 53 2HG2 THR 53 0.851 -2.834 -7.146 424 H VAL 54 H VAL 54 0.670 -1.412 -4.608 425 HA VAL 54 HA VAL 54 0.719 -4.128 -3.386 426 HB VAL 54 HB VAL 54 -0.207 -1.557 -2.055 427 HG11 VAL 54 1HG1 VAL 54 -1.459 -3.539 -1.292 428 HG12 VAL 54 2HG1 VAL 54 -0.341 -3.015 -0.036 429 HG13 VAL 54 3HG1 VAL 54 0.052 -4.415 -1.035 430 HG21 VAL 54 3HG2 VAL 54 2.248 -1.627 -2.274 431 HG22 VAL 54 1HG2 VAL 54 2.275 -3.254 -1.593 432 HG23 VAL 54 2HG2 VAL 54 1.772 -1.890 -0.601 433 HA PRO 55 HA PRO 55 -3.284 -3.327 -5.596 434 HB2 PRO 55 2HB PRO 55 -3.623 -5.702 -6.859 435 HB3 PRO 55 1HB PRO 55 -2.429 -4.521 -7.444 436 HG2 PRO 55 2HG PRO 55 -1.979 -6.978 -5.761 437 HG3 PRO 55 1HG PRO 55 -1.047 -6.393 -7.158 438 HD2 PRO 55 2HD PRO 55 -0.310 -5.931 -4.506 439 HD3 PRO 55 1HD PRO 55 0.192 -4.879 -5.852 440 H VAL 56 H VAL 56 -5.309 -3.695 -4.818 441 HA VAL 56 HA VAL 56 -5.777 -5.930 -2.896 442 HB VAL 56 HB VAL 56 -6.676 -3.044 -2.543 443 HG11 VAL 56 1HG1 VAL 56 -6.998 -5.519 -0.796 444 HG12 VAL 56 2HG1 VAL 56 -8.297 -4.624 -1.589 445 HG13 VAL 56 3HG1 VAL 56 -7.388 -3.879 -0.278 446 HG21 VAL 56 3HG2 VAL 56 -5.094 -3.055 -0.622 447 HG22 VAL 56 1HG2 VAL 56 -4.258 -3.302 -2.154 448 HG23 VAL 56 2HG2 VAL 56 -4.559 -4.669 -1.081 449 H ASP 57 H ASP 57 -7.562 -7.031 -3.299 450 HA ASP 57 HA ASP 57 -9.264 -6.401 -5.551 451 HB2 ASP 57 2HB ASP 57 -9.494 -8.536 -3.405 452 HB3 ASP 57 1HB ASP 57 -10.470 -8.465 -4.872 453 H ILE 58 H ILE 58 -11.041 -5.133 -5.494 454 HA ILE 58 HA ILE 58 -12.246 -4.369 -2.901 455 HB ILE 58 HB ILE 58 -13.256 -2.500 -4.214 456 HG12 ILE 58 2HG1 ILE 58 -11.481 -3.476 -6.506 457 HG13 ILE 58 1HG1 ILE 58 -13.217 -3.748 -6.455 458 HG21 ILE 58 1HG2 ILE 58 -11.147 -1.251 -4.524 459 HG22 ILE 58 2HG2 ILE 58 -10.240 -2.762 -4.484 460 HG23 ILE 58 3HG2 ILE 58 -11.095 -2.209 -3.045 461 HD11 ILE 58 3HD1 ILE 58 -13.631 -1.339 -6.401 462 HD12 ILE 58 1HD1 ILE 58 -12.658 -1.765 -7.807 463 HD13 ILE 58 2HD1 ILE 58 -11.899 -1.019 -6.403 464 H SER 59 H SER 59 -12.757 -6.380 -5.574 465 HA SER 59 HA SER 59 -15.528 -6.202 -5.978 466 HB2 SER 59 2HB SER 59 -13.754 -8.645 -6.209 467 HB3 SER 59 1HB SER 59 -15.341 -8.444 -6.949 468 HG SER 59 HG SER 59 -14.323 -6.462 -7.890 469 H GLN 60 H GLN 60 -13.661 -8.062 -3.605 470 HA GLN 60 HA GLN 60 -16.043 -9.350 -2.480 471 HB2 GLN 60 2HB GLN 60 -13.123 -9.378 -1.644 472 HB3 GLN 60 1HB GLN 60 -14.394 -10.363 -0.916 473 HG2 GLN 60 2HG GLN 60 -14.825 -11.430 -3.102 474 HG3 GLN 60 1HG GLN 60 -13.556 -10.451 -3.834 475 HE21 GLN 60 1HE2 GLN 60 -12.843 -12.908 -4.251 476 HE22 GLN 60 2HE2 GLN 60 -11.790 -13.553 -3.087 477 H VAL 61 H VAL 61 -14.692 -6.318 -2.243 478 HA VAL 61 HA VAL 61 -15.218 -5.933 0.646 479 HB VAL 61 HB VAL 61 -14.076 -4.003 -1.403 480 HG11 VAL 61 1HG1 VAL 61 -13.289 -2.782 0.640 481 HG12 VAL 61 2HG1 VAL 61 -14.211 -3.911 1.631 482 HG13 VAL 61 3HG1 VAL 61 -15.046 -2.833 0.516 483 HG21 VAL 61 3HG2 VAL 61 -12.675 -5.736 0.664 484 HG22 VAL 61 1HG2 VAL 61 -11.893 -4.546 -0.375 485 HG23 VAL 61 2HG2 VAL 61 -12.620 -5.985 -1.081 486 H THR 62 H THR 62 -17.177 -5.287 1.238 487 HA THR 62 HA THR 62 -18.764 -3.440 -0.480 488 HB THR 62 HB THR 62 -19.774 -5.579 -0.912 489 HG1 THR 62 1HG THR 62 -21.126 -3.795 -0.068 490 HG21 THR 62 3HG2 THR 62 -19.563 -6.059 2.085 491 HG22 THR 62 1HG2 THR 62 -18.669 -6.910 0.820 492 HG23 THR 62 2HG2 THR 62 -20.416 -7.110 0.957 493 H GLU 63 H GLU 63 -17.185 -3.762 2.308 494 HA GLU 63 HA GLU 63 -18.807 -1.754 3.679 495 HB2 GLU 63 2HB GLU 63 -18.914 -3.094 5.783 496 HB3 GLU 63 1HB GLU 63 -19.862 -3.804 4.477 497 HG2 GLU 63 2HG GLU 63 -18.013 -5.372 3.980 498 HG3 GLU 63 1HG GLU 63 -17.063 -4.677 5.290 499 H ASP 64 H ASP 64 -17.711 -1.158 5.800 500 HA ASP 64 HA ASP 64 -15.031 -0.398 5.248 501 HB2 ASP 64 2HB ASP 64 -15.030 0.470 7.565 502 HB3 ASP 64 1HB ASP 64 -16.487 0.942 6.695 503 H THR 65 H THR 65 -13.176 -1.482 5.547 504 HA THR 65 HA THR 65 -12.921 -3.535 7.654 505 HB THR 65 HB THR 65 -11.963 -5.183 6.117 506 HG1 THR 65 1HG THR 65 -11.240 -3.648 4.568 507 HG21 THR 65 3HG2 THR 65 -13.996 -5.918 5.031 508 HG22 THR 65 1HG2 THR 65 -14.640 -4.282 5.017 509 HG23 THR 65 2HG2 THR 65 -14.471 -5.146 6.543 510 H SER 66 H SER 66 -10.659 -4.240 7.878 511 HA SER 66 HA SER 66 -8.590 -2.465 6.803 512 HB2 SER 66 2HB SER 66 -7.773 -1.831 9.026 513 HB3 SER 66 1HB SER 66 -9.430 -1.272 8.808 514 HG SER 66 HG SER 66 -10.070 -3.236 9.905 515 H LYS 67 H LYS 67 -6.803 -3.628 6.414 516 HA LYS 67 HA LYS 67 -6.220 -6.062 8.032 517 HB2 LYS 67 2HB LYS 67 -6.313 -5.972 5.004 518 HB3 LYS 67 1HB LYS 67 -5.743 -7.338 5.965 519 HG2 LYS 67 2HG LYS 67 -8.026 -7.414 7.073 520 HG3 LYS 67 1HG LYS 67 -8.569 -6.195 5.923 521 HD2 LYS 67 2HD LYS 67 -7.461 -8.935 5.186 522 HD3 LYS 67 1HD LYS 67 -9.168 -8.510 5.210 523 HE2 LYS 67 2HE LYS 67 -8.569 -6.644 3.511 524 HE3 LYS 67 1HE LYS 67 -7.029 -7.485 3.314 525 HZ1 LYS 67 3HZ LYS 67 -9.744 -8.436 2.692 526 HZ2 LYS 67 1HZ LYS 67 -8.489 -9.542 2.977 527 HZ3 LYS 67 2HZ LYS 67 -8.359 -8.421 1.707 528 H THR 68 H THR 68 -4.101 -6.593 8.210 529 HA THR 68 HA THR 68 -2.178 -4.468 7.619 530 HB THR 68 HB THR 68 -1.690 -7.193 8.892 531 HG1 THR 68 1HG THR 68 -1.772 -5.856 10.827 532 HG21 THR 68 3HG2 THR 68 -0.100 -4.598 8.909 533 HG22 THR 68 1HG2 THR 68 0.369 -6.096 8.103 534 HG23 THR 68 2HG2 THR 68 0.290 -6.030 9.861 535 H LEU 69 H LEU 69 -0.704 -4.493 5.997 536 HA LEU 69 HA LEU 69 -0.569 -6.865 4.176 537 HB2 LEU 69 2HB LEU 69 -0.215 -3.925 3.467 538 HB3 LEU 69 1HB LEU 69 -0.234 -5.285 2.346 539 HG LEU 69 HG LEU 69 -2.567 -4.378 4.079 540 HD11 LEU 69 1HD1 LEU 69 -2.162 -4.199 1.078 541 HD12 LEU 69 2HD1 LEU 69 -2.035 -2.842 2.199 542 HD13 LEU 69 3HD1 LEU 69 -3.583 -3.658 1.968 543 HD21 LEU 69 3HD2 LEU 69 -2.895 -6.718 3.790 544 HD22 LEU 69 1HD2 LEU 69 -2.260 -6.708 2.143 545 HD23 LEU 69 2HD2 LEU 69 -3.846 -6.014 2.496 546 H GLU 70 H GLU 70 1.348 -7.778 4.017 547 HA GLU 70 HA GLU 70 3.740 -6.462 5.149 548 HB2 GLU 70 2HB GLU 70 4.755 -8.767 4.852 549 HB3 GLU 70 1HB GLU 70 3.380 -8.710 5.954 550 HG2 GLU 70 2HG GLU 70 1.886 -9.534 4.184 551 HG3 GLU 70 1HG GLU 70 3.217 -9.541 3.037 552 H LEU 71 H LEU 71 5.412 -5.800 3.941 553 HA LEU 71 HA LEU 71 5.245 -6.037 0.969 554 HB2 LEU 71 2HB LEU 71 6.861 -4.044 2.609 555 HB3 LEU 71 1HB LEU 71 6.506 -3.982 0.883 556 HG LEU 71 HG LEU 71 4.490 -3.708 3.149 557 HD11 LEU 71 1HD1 LEU 71 4.271 -1.387 2.332 558 HD12 LEU 71 2HD1 LEU 71 5.521 -1.694 1.127 559 HD13 LEU 71 3HD1 LEU 71 5.920 -1.735 2.840 560 HD21 LEU 71 3HD2 LEU 71 2.917 -3.049 1.222 561 HD22 LEU 71 1HD2 LEU 71 3.306 -4.758 1.344 562 HD23 LEU 71 2HD2 LEU 71 4.105 -3.760 0.129 563 H LYS 72 H LYS 72 6.816 -7.021 -0.137 564 HA LYS 72 HA LYS 72 9.385 -7.732 1.198 565 HB2 LYS 72 2HB LYS 72 7.736 -9.613 -0.530 566 HB3 LYS 72 1HB LYS 72 9.279 -9.970 0.235 567 HG2 LYS 72 2HG LYS 72 7.930 -10.875 1.923 568 HG3 LYS 72 1HG LYS 72 7.881 -9.210 2.478 569 HD2 LYS 72 2HD LYS 72 5.580 -9.780 2.450 570 HD3 LYS 72 1HD LYS 72 5.759 -9.002 0.883 571 HE2 LYS 72 2HE LYS 72 6.076 -11.285 -0.147 572 HE3 LYS 72 1HE LYS 72 5.771 -11.996 1.432 573 HZ1 LYS 72 3HZ LYS 72 3.792 -11.869 -0.029 574 HZ2 LYS 72 1HZ LYS 72 3.888 -10.177 0.043 575 HZ3 LYS 72 2HZ LYS 72 3.594 -11.068 1.458 576 H ALA 73 H ALA 73 11.171 -7.706 -0.130 577 HA ALA 73 HA ALA 73 10.854 -7.208 -3.028 578 HB1 ALA 73 1HB ALA 73 10.914 -4.971 -2.070 579 HB2 ALA 73 2HB ALA 73 12.480 -5.290 -2.816 580 HB3 ALA 73 3HB ALA 73 12.295 -5.399 -1.066 581 H GLU 74 H GLU 74 12.468 -8.139 -4.199 582 HA GLU 74 HA GLU 74 14.336 -9.891 -2.797 583 HB2 GLU 74 2HB GLU 74 13.751 -9.479 -5.744 584 HB3 GLU 74 1HB GLU 74 14.825 -10.721 -5.094 585 HG2 GLU 74 2HG GLU 74 12.954 -11.666 -3.786 586 HG3 GLU 74 1HG GLU 74 11.875 -10.428 -4.421 587 H GLY 75 H GLY 75 16.305 -9.364 -2.265 588 HA2 GLY 75 2HA GLY 75 18.552 -8.775 -2.915 589 HA3 GLY 75 1HA GLY 75 17.922 -7.518 -3.963 590 H VAL 76 H VAL 76 16.013 -7.038 -1.462 591 HA VAL 76 HA VAL 76 17.943 -5.544 0.247 592 HB VAL 76 HB VAL 76 16.506 -3.584 0.259 593 HG11 VAL 76 1HG1 VAL 76 16.813 -2.825 -2.048 594 HG12 VAL 76 2HG1 VAL 76 16.980 -4.493 -2.597 595 HG13 VAL 76 3HG1 VAL 76 18.205 -3.782 -1.549 596 HG21 VAL 76 3HG2 VAL 76 14.533 -3.466 -1.360 597 HG22 VAL 76 1HG2 VAL 76 14.287 -4.546 0.010 598 HG23 VAL 76 2HG2 VAL 76 14.690 -5.210 -1.575 599 H THR 77 H THR 77 17.021 -4.963 2.325 600 HA THR 77 HA THR 77 15.015 -6.962 3.283 601 HB THR 77 HB THR 77 17.183 -5.532 4.877 602 HG1 THR 77 1HG THR 77 18.005 -7.035 3.358 603 HG21 THR 77 3HG2 THR 77 15.329 -7.846 5.548 604 HG22 THR 77 1HG2 THR 77 15.245 -6.223 6.234 605 HG23 THR 77 2HG2 THR 77 16.630 -7.254 6.578 606 H VAL 78 H VAL 78 13.108 -6.091 3.741 607 HA VAL 78 HA VAL 78 12.865 -3.199 4.422 608 HB VAL 78 HB VAL 78 11.713 -3.861 2.365 609 HG11 VAL 78 1HG1 VAL 78 11.402 -6.264 2.915 610 HG12 VAL 78 2HG1 VAL 78 9.928 -5.499 2.331 611 HG13 VAL 78 3HG1 VAL 78 10.128 -5.817 4.048 612 HG21 VAL 78 3HG2 VAL 78 10.668 -2.155 3.899 613 HG22 VAL 78 1HG2 VAL 78 9.676 -3.440 4.591 614 HG23 VAL 78 2HG2 VAL 78 9.492 -3.003 2.896 615 H GLN 79 H GLN 79 12.012 -2.637 6.345 616 HA GLN 79 HA GLN 79 10.436 -4.497 7.891 617 HB2 GLN 79 2HB GLN 79 12.007 -4.425 9.874 618 HB3 GLN 79 1HB GLN 79 12.566 -5.385 8.507 619 HG2 GLN 79 2HG GLN 79 13.969 -3.515 7.737 620 HG3 GLN 79 1HG GLN 79 13.393 -2.516 9.070 621 HE21 GLN 79 1HE2 GLN 79 16.056 -4.214 8.216 622 HE22 GLN 79 2HE2 GLN 79 16.569 -4.766 9.737 623 HA PRO 80 HA PRO 80 9.511 -4.478 10.154 624 HB2 PRO 80 2HB PRO 80 6.983 -3.761 10.953 625 HB3 PRO 80 1HB PRO 80 8.425 -3.285 11.878 626 HG2 PRO 80 2HG PRO 80 6.909 -1.675 9.825 627 HG3 PRO 80 1HG PRO 80 7.427 -1.191 11.457 628 HD2 PRO 80 2HD PRO 80 8.893 -0.498 9.267 629 HD3 PRO 80 1HD PRO 80 9.693 -0.919 10.798 630 H SER 81 H SER 81 8.406 -2.575 7.588 631 HA SER 81 HA SER 81 7.436 -3.052 5.585 632 HB2 SER 81 2HB SER 81 7.845 -5.151 4.672 633 HB3 SER 81 1HB SER 81 8.895 -5.257 6.078 634 HG SER 81 HG SER 81 6.261 -6.263 5.766 635 H THR 82 H THR 82 5.980 -3.617 8.489 636 HA THR 82 HA THR 82 3.372 -4.500 7.395 637 HB THR 82 HB THR 82 2.739 -4.627 9.807 638 HG1 THR 82 1HG THR 82 4.917 -3.124 10.028 639 HG21 THR 82 3HG2 THR 82 4.220 -6.513 10.407 640 HG22 THR 82 1HG2 THR 82 5.325 -6.049 9.120 641 HG23 THR 82 2HG2 THR 82 3.708 -6.610 8.722 642 H VAL 83 H VAL 83 1.668 -3.155 7.348 643 HA VAL 83 HA VAL 83 1.708 -0.506 8.619 644 HB VAL 83 HB VAL 83 1.106 0.613 6.444 645 HG11 VAL 83 1HG1 VAL 83 3.853 -0.704 6.300 646 HG12 VAL 83 2HG1 VAL 83 3.471 0.636 7.382 647 HG13 VAL 83 3HG1 VAL 83 3.379 0.858 5.638 648 HG21 VAL 83 3HG2 VAL 83 2.004 -2.040 5.247 649 HG22 VAL 83 1HG2 VAL 83 1.681 -0.575 4.324 650 HG23 VAL 83 2HG2 VAL 83 0.374 -1.375 5.185 651 H LYS 84 H LYS 84 -0.386 0.264 8.988 652 HA LYS 84 HA LYS 84 -2.550 -1.712 8.607 653 HB2 LYS 84 2HB LYS 84 -2.365 0.841 10.248 654 HB3 LYS 84 1HB LYS 84 -3.753 -0.251 10.218 655 HG2 LYS 84 2HG LYS 84 -2.338 -2.089 11.062 656 HG3 LYS 84 1HG LYS 84 -0.943 -1.010 11.091 657 HD2 LYS 84 2HD LYS 84 -2.098 0.452 12.715 658 HD3 LYS 84 1HD LYS 84 -3.500 -0.619 12.686 659 HE2 LYS 84 2HE LYS 84 -2.101 -2.472 13.536 660 HE3 LYS 84 1HE LYS 84 -0.701 -1.397 13.570 661 HZ1 LYS 84 3HZ LYS 84 -3.182 -1.199 15.179 662 HZ2 LYS 84 1HZ LYS 84 -2.067 0.073 15.054 663 HZ3 LYS 84 2HZ LYS 84 -1.592 -1.409 15.737 664 H VAL 85 H VAL 85 -4.151 -1.371 7.187 665 HA VAL 85 HA VAL 85 -4.463 1.307 5.894 666 HB VAL 85 HB VAL 85 -4.726 -1.417 4.572 667 HG11 VAL 85 1HG1 VAL 85 -4.885 1.409 3.467 668 HG12 VAL 85 2HG1 VAL 85 -6.211 0.252 3.560 669 HG13 VAL 85 3HG1 VAL 85 -4.856 -0.051 2.479 670 HG21 VAL 85 3HG2 VAL 85 -2.661 -0.754 3.356 671 HG22 VAL 85 1HG2 VAL 85 -2.378 -0.897 5.089 672 HG23 VAL 85 2HG2 VAL 85 -2.554 0.697 4.353 673 H ASN 86 H ASN 86 -6.440 2.097 6.051 674 HA ASN 86 HA ASN 86 -8.710 0.330 6.866 675 HB2 ASN 86 2HB ASN 86 -8.334 3.327 7.232 676 HB3 ASN 86 1HB ASN 86 -9.712 2.374 7.783 677 HD21 ASN 86 1HD2 ASN 86 -7.060 3.799 9.027 678 HD22 ASN 86 2HD2 ASN 86 -6.665 2.695 10.255 679 H LEU 87 H LEU 87 -10.175 -0.016 5.341 680 HA LEU 87 HA LEU 87 -10.359 1.753 2.959 681 HB2 LEU 87 2HB LEU 87 -11.411 -1.080 3.344 682 HB3 LEU 87 1HB LEU 87 -11.309 -0.180 1.831 683 HG LEU 87 HG LEU 87 -8.941 -1.083 3.520 684 HD11 LEU 87 1HD1 LEU 87 -10.094 -2.941 2.372 685 HD12 LEU 87 2HD1 LEU 87 -8.510 -2.644 1.657 686 HD13 LEU 87 3HD1 LEU 87 -9.966 -2.075 0.841 687 HD21 LEU 87 3HD2 LEU 87 -8.257 0.921 2.376 688 HD22 LEU 87 1HD2 LEU 87 -9.098 0.456 0.898 689 HD23 LEU 87 2HD2 LEU 87 -7.640 -0.400 1.403 690 H LYS 88 H LYS 88 -12.027 3.113 2.942 691 HA LYS 88 HA LYS 88 -14.438 2.566 4.585 692 HB2 LYS 88 2HB LYS 88 -13.427 5.138 3.326 693 HB3 LYS 88 1HB LYS 88 -14.879 4.995 4.310 694 HG2 LYS 88 2HG LYS 88 -12.152 4.172 5.390 695 HG3 LYS 88 1HG LYS 88 -12.710 5.836 5.490 696 HD2 LYS 88 2HD LYS 88 -14.710 5.085 6.761 697 HD3 LYS 88 1HD LYS 88 -14.129 3.426 6.698 698 HE2 LYS 88 2HE LYS 88 -12.630 5.733 7.964 699 HE3 LYS 88 1HE LYS 88 -13.537 4.498 8.841 700 HZ1 LYS 88 3HZ LYS 88 -11.088 4.167 7.218 701 HZ2 LYS 88 1HZ LYS 88 -12.086 2.849 7.598 702 HZ3 LYS 88 2HZ LYS 88 -11.349 3.741 8.843 703 H VAL 89 H VAL 89 -16.206 1.998 3.611 704 HA VAL 89 HA VAL 89 -16.451 2.191 0.654 705 HB VAL 89 HB VAL 89 -18.009 0.481 2.636 706 HG11 VAL 89 1HG1 VAL 89 -19.226 0.931 0.520 707 HG12 VAL 89 2HG1 VAL 89 -18.706 -0.747 0.596 708 HG13 VAL 89 3HG1 VAL 89 -17.818 0.406 -0.397 709 HG21 VAL 89 3HG2 VAL 89 -15.659 -0.202 0.825 710 HG22 VAL 89 1HG2 VAL 89 -16.604 -1.379 1.737 711 HG23 VAL 89 2HG2 VAL 89 -15.641 -0.174 2.589 712 H THR 90 H THR 90 -17.991 3.442 -0.228 713 HA THR 90 HA THR 90 -19.743 5.045 1.545 714 HB THR 90 HB THR 90 -20.066 6.436 -0.449 715 HG1 THR 90 1HG THR 90 -19.825 4.499 -1.845 716 HG21 THR 90 3HG2 THR 90 -17.154 5.696 -0.030 717 HG22 THR 90 1HG2 THR 90 -18.073 6.839 0.952 718 HG23 THR 90 2HG2 THR 90 -17.743 7.198 -0.742 719 H GLN 91 H GLN 91 -21.805 4.466 1.777 720 HA GLN 91 HA GLN 91 -23.018 2.430 0.023 721 HB2 GLN 91 2HB GLN 91 -24.083 3.710 2.576 722 HB3 GLN 91 1HB GLN 91 -24.737 2.291 1.757 723 HG2 GLN 91 2HG GLN 91 -21.958 2.476 2.972 724 HG3 GLN 91 1HG GLN 91 -23.338 1.685 3.723 725 HE21 GLN 91 1HE2 GLN 91 -20.599 0.922 2.091 726 HE22 GLN 91 2HE2 GLN 91 -21.110 -0.485 1.298 727 H LYS 92 H LYS 92 -24.439 2.945 -1.522 728 HA LYS 92 HA LYS 92 -26.087 5.382 -1.316 729 HB2 LYS 92 2HB LYS 92 -24.008 5.974 -2.589 730 HB3 LYS 92 1HB LYS 92 -24.422 4.744 -3.782 731 HG2 LYS 92 2HG LYS 92 -26.542 5.914 -4.274 732 HG3 LYS 92 1HG LYS 92 -26.172 7.123 -3.043 733 HD2 LYS 92 2HD LYS 92 -24.142 7.775 -4.303 734 HD3 LYS 92 1HD LYS 92 -24.530 6.576 -5.537 735 HE2 LYS 92 2HE LYS 92 -25.286 8.817 -6.230 736 HE3 LYS 92 1HE LYS 92 -26.666 7.741 -5.994 737 HZ1 LYS 92 3HZ LYS 92 -27.348 8.865 -4.177 738 HZ2 LYS 92 1HZ LYS 92 -26.509 10.147 -4.906 739 HZ3 LYS 92 2HZ LYS 92 -25.771 9.246 -3.669 740 H LEU 93 H LEU 93 -28.081 5.094 -2.119 741 HA LEU 93 HA LEU 93 -28.786 3.221 -4.140 742 HB2 LEU 93 2HB LEU 93 -30.006 1.576 -2.872 743 HB3 LEU 93 1HB LEU 93 -28.386 1.659 -2.197 744 HG LEU 93 HG LEU 93 -30.902 2.931 -1.029 745 HD11 LEU 93 1HD1 LEU 93 -29.127 0.690 -0.022 746 HD12 LEU 93 2HD1 LEU 93 -30.739 0.497 -0.712 747 HD13 LEU 93 3HD1 LEU 93 -30.529 1.352 0.816 748 HD21 LEU 93 3HD2 LEU 93 -29.160 4.453 -0.472 749 HD22 LEU 93 1HD2 LEU 93 -27.978 3.167 -0.221 750 HD23 LEU 93 2HD2 LEU 93 -29.285 3.419 0.941 751 H GLU 94 H GLU 94 -31.226 3.047 -4.294 752 HA GLU 94 HA GLU 94 -32.912 4.908 -2.979 753 HB2 GLU 94 2HB GLU 94 -33.288 6.464 -4.905 754 HB3 GLU 94 1HB GLU 94 -31.679 6.616 -4.209 755 HG2 GLU 94 2HG GLU 94 -30.760 5.173 -5.995 756 HG3 GLU 94 1HG GLU 94 -32.367 5.032 -6.706 757 H HIS 95 H HIS 95 -35.070 4.921 -3.892 758 HA HIS 95 HA HIS 95 -36.909 3.768 -4.649 759 HB2 HIS 95 2HB HIS 95 -35.063 3.210 -6.992 760 HB3 HIS 95 1HB HIS 95 -36.822 3.092 -7.009 761 HD2 HIS 95 2HD HIS 95 -38.179 5.636 -6.865 762 HE1 HIS 95 1HE HIS 95 -34.707 7.943 -7.540 763 HE2 HIS 95 2HE HIS 95 -37.243 8.013 -7.403 764 H HIS 96 H HIS 96 -37.503 1.514 -5.822 765 HA HIS 96 HA HIS 96 -37.734 -0.735 -5.421 766 HB2 HIS 96 2HB HIS 96 -35.678 -0.716 -6.825 767 HB3 HIS 96 1HB HIS 96 -34.697 -0.625 -5.364 768 HD2 HIS 96 2HD HIS 96 -36.739 -3.278 -7.390 769 HE1 HIS 96 1HE HIS 96 -35.076 -5.233 -4.039 770 HE2 HIS 96 2HE HIS 96 -36.327 -5.576 -6.222 771 H HIS 97 H HIS 97 -38.701 -0.418 -3.335 772 HA HIS 97 HA HIS 97 -37.362 -1.827 -1.226 773 HB2 HIS 97 2HB HIS 97 -36.282 0.422 -1.016 774 HB3 HIS 97 1HB HIS 97 -37.871 1.140 -0.773 775 HD2 HIS 97 2HD HIS 97 -35.269 -1.023 1.208 776 HE1 HIS 97 1HE HIS 97 -38.491 -0.183 3.804 777 HE2 HIS 97 2HE HIS 97 -36.157 -1.175 3.658 778 H HIS 98 H HIS 98 -39.300 -3.033 -1.575 779 HA HIS 98 HA HIS 98 -41.917 -1.942 -1.194 780 HB2 HIS 98 2HB HIS 98 -40.920 -4.799 -0.924 781 HB3 HIS 98 1HB HIS 98 -42.611 -4.312 -1.034 782 HD2 HIS 98 2HD HIS 98 -43.347 -3.208 -3.621 783 HE1 HIS 98 1HE HIS 98 -39.912 -4.679 -5.586 784 HE2 HIS 98 2HE HIS 98 -42.201 -3.637 -5.929 785 H HIS 99 H HIS 99 -43.221 -1.951 0.623 786 HA HIS 99 HA HIS 99 -41.985 -1.585 3.143 787 HB2 HIS 99 2HB HIS 99 -44.323 -1.544 4.008 788 HB3 HIS 99 1HB HIS 99 -44.118 -0.528 2.582 789 HD2 HIS 99 2HD HIS 99 -45.714 -1.246 0.405 790 HE1 HIS 99 1HE HIS 99 -47.186 -4.873 1.989 791 HE2 HIS 99 2HE HIS 99 -47.374 -3.233 0.059 792 H HIS 100 H HIS 100 -41.694 -2.939 4.868 793 HA HIS 100 HA HIS 100 -41.338 -4.913 5.985 794 HB2 HIS 100 2HB HIS 100 -44.008 -5.639 4.740 795 HB3 HIS 100 1HB HIS 100 -43.272 -6.418 6.138 796 HD2 HIS 100 2HD HIS 100 -43.121 -4.699 8.487 797 HE1 HIS 100 1HE HIS 100 -45.924 -1.909 7.008 798 HE2 HIS 100 2HE HIS 100 -44.645 -2.659 9.070 Start of MODEL 6 1 H1 LYS 1 1HT LYS 1 36.792 3.990 8.519 2 H2 LYS 1 2HT LYS 1 35.265 3.466 7.985 3 H3 LYS 1 3HT LYS 1 36.348 4.188 6.893 4 HA LYS 1 HA LYS 1 37.916 2.298 7.357 5 HB2 LYS 1 2HB LYS 1 35.355 1.207 8.583 6 HB3 LYS 1 1HB LYS 1 36.800 0.248 8.255 7 HG2 LYS 1 2HG LYS 1 38.113 1.683 9.774 8 HG3 LYS 1 1HG LYS 1 36.678 2.659 10.099 9 HD2 LYS 1 2HD LYS 1 35.533 0.649 11.009 10 HD3 LYS 1 1HD LYS 1 36.991 -0.300 10.719 11 HE2 LYS 1 2HE LYS 1 36.786 2.116 12.545 12 HE3 LYS 1 1HE LYS 1 36.889 0.436 13.069 13 HZ1 LYS 1 2HZ LYS 1 39.077 0.668 13.012 14 HZ2 LYS 1 3HZ LYS 1 38.971 2.197 12.279 15 HZ3 LYS 1 1HZ LYS 1 38.981 0.798 11.320 16 H ILE 2 H ILE 2 37.650 0.280 5.990 17 HA ILE 2 HA ILE 2 36.417 0.954 3.493 18 HB ILE 2 HB ILE 2 37.175 -1.340 2.813 19 HG12 ILE 2 2HG1 ILE 2 38.200 -1.537 5.686 20 HG13 ILE 2 1HG1 ILE 2 36.793 -2.408 5.091 21 HG21 ILE 2 1HG2 ILE 2 38.709 0.617 2.715 22 HG22 ILE 2 2HG2 ILE 2 39.585 -0.869 3.057 23 HG23 ILE 2 3HG2 ILE 2 39.243 0.271 4.358 24 HD11 ILE 2 3HD1 ILE 2 38.226 -3.494 3.359 25 HD12 ILE 2 1HD1 ILE 2 38.719 -3.881 5.007 26 HD13 ILE 2 2HD1 ILE 2 39.631 -2.701 4.072 27 H SER 3 H SER 3 35.272 -0.541 6.338 28 HA SER 3 HA SER 3 33.386 -2.373 5.409 29 HB2 SER 3 2HB SER 3 33.969 -2.091 7.788 30 HB3 SER 3 1HB SER 3 33.167 -0.522 7.798 31 HG SER 3 HG SER 3 31.303 -1.503 7.893 32 H LEU 4 H LEU 4 33.312 1.101 5.503 33 HA LEU 4 HA LEU 4 31.885 2.671 4.691 34 HB2 LEU 4 2HB LEU 4 32.189 1.334 2.586 35 HB3 LEU 4 1HB LEU 4 30.768 0.394 3.018 36 HG LEU 4 HG LEU 4 29.394 2.498 2.973 37 HD11 LEU 4 1HD1 LEU 4 30.823 4.333 3.349 38 HD12 LEU 4 2HD1 LEU 4 30.558 4.445 1.618 39 HD13 LEU 4 3HD1 LEU 4 32.058 3.747 2.231 40 HD21 LEU 4 3HD2 LEU 4 29.513 1.022 0.999 41 HD22 LEU 4 1HD2 LEU 4 30.937 1.891 0.426 42 HD23 LEU 4 2HD2 LEU 4 29.379 2.709 0.503 43 H ARG 5 H ARG 5 29.860 3.558 5.121 44 HA ARG 5 HA ARG 5 28.367 2.308 7.227 45 HB2 ARG 5 2HB ARG 5 27.750 4.763 5.544 46 HB3 ARG 5 1HB ARG 5 26.890 4.296 7.014 47 HG2 ARG 5 2HG ARG 5 28.994 4.456 8.301 48 HG3 ARG 5 1HG ARG 5 29.857 4.928 6.837 49 HD2 ARG 5 2HD ARG 5 27.529 6.471 8.034 50 HD3 ARG 5 1HD ARG 5 29.227 6.886 8.255 51 HE ARG 5 HE ARG 5 28.733 6.682 5.493 52 HH11 ARG 5 1HH2 ARG 5 27.873 8.654 8.228 53 HH12 ARG 5 2HH2 ARG 5 27.623 10.083 7.282 54 HH21 ARG 5 1HH1 ARG 5 28.401 8.557 4.269 55 HH22 ARG 5 2HH1 ARG 5 27.921 10.027 5.048 56 H LYS 6 H LYS 6 26.249 1.519 7.175 57 HA LYS 6 HA LYS 6 25.521 0.055 4.822 58 HB2 LYS 6 2HB LYS 6 23.938 0.651 7.348 59 HB3 LYS 6 1HB LYS 6 23.507 -0.556 6.132 60 HG2 LYS 6 2HG LYS 6 25.646 -1.736 6.542 61 HG3 LYS 6 1HG LYS 6 26.071 -0.537 7.766 62 HD2 LYS 6 2HD LYS 6 24.076 -1.177 9.083 63 HD3 LYS 6 1HD LYS 6 23.655 -2.376 7.859 64 HE2 LYS 6 2HE LYS 6 24.838 -3.449 9.733 65 HE3 LYS 6 1HE LYS 6 25.815 -3.534 8.267 66 HZ1 LYS 6 3HZ LYS 6 26.167 -1.219 10.024 67 HZ2 LYS 6 1HZ LYS 6 27.302 -2.024 9.055 68 HZ3 LYS 6 2HZ LYS 6 26.814 -2.706 10.532 69 H LEU 7 H LEU 7 23.897 0.466 3.336 70 HA LEU 7 HA LEU 7 23.084 3.246 3.020 71 HB2 LEU 7 2HB LEU 7 22.848 0.737 1.329 72 HB3 LEU 7 1HB LEU 7 21.983 2.204 0.887 73 HG LEU 7 HG LEU 7 24.181 1.970 -0.299 74 HD11 LEU 7 1HD1 LEU 7 24.717 4.222 -0.250 75 HD12 LEU 7 2HD1 LEU 7 24.545 4.376 1.494 76 HD13 LEU 7 3HD1 LEU 7 23.113 4.286 0.469 77 HD21 LEU 7 3HD2 LEU 7 26.279 2.081 0.850 78 HD22 LEU 7 1HD2 LEU 7 25.342 0.834 1.673 79 HD23 LEU 7 2HD2 LEU 7 25.509 2.438 2.394 80 H SER 8 H SER 8 20.952 3.899 2.898 81 HA SER 8 HA SER 8 18.760 2.127 3.558 82 HB2 SER 8 2HB SER 8 18.150 3.244 5.662 83 HB3 SER 8 1HB SER 8 19.749 2.519 5.808 84 HG SER 8 HG SER 8 20.664 4.509 5.607 85 H LYS 9 H LYS 9 16.929 2.972 2.719 86 HA LYS 9 HA LYS 9 16.616 5.861 2.310 87 HB2 LYS 9 2HB LYS 9 16.756 3.835 0.043 88 HB3 LYS 9 1HB LYS 9 15.953 5.395 -0.139 89 HG2 LYS 9 2HG LYS 9 18.079 6.541 0.463 90 HG3 LYS 9 1HG LYS 9 18.875 4.974 0.592 91 HD2 LYS 9 2HD LYS 9 18.402 4.499 -1.758 92 HD3 LYS 9 1HD LYS 9 17.562 6.043 -1.920 93 HE2 LYS 9 2HE LYS 9 20.491 5.677 -1.219 94 HE3 LYS 9 1HE LYS 9 19.860 6.224 -2.773 95 HZ1 LYS 9 3HZ LYS 9 19.916 8.269 -1.966 96 HZ2 LYS 9 1HZ LYS 9 20.338 7.718 -0.419 97 HZ3 LYS 9 2HZ LYS 9 18.702 7.838 -0.860 98 H SER 10 H SER 10 14.485 6.336 1.428 99 HA SER 10 HA SER 10 12.388 4.420 2.390 100 HB2 SER 10 2HB SER 10 12.563 6.337 3.911 101 HB3 SER 10 1HB SER 10 12.412 7.445 2.550 102 HG SER 10 HG SER 10 10.510 5.604 3.559 103 H VAL 11 H VAL 11 10.740 4.004 1.005 104 HA VAL 11 HA VAL 11 10.616 5.494 -1.571 105 HB VAL 11 HB VAL 11 9.811 3.251 -2.534 106 HG11 VAL 11 1HG1 VAL 11 12.665 3.433 -1.509 107 HG12 VAL 11 2HG1 VAL 11 12.060 4.150 -3.002 108 HG13 VAL 11 3HG1 VAL 11 12.115 2.398 -2.827 109 HG21 VAL 11 3HG2 VAL 11 10.517 1.224 -1.326 110 HG22 VAL 11 1HG2 VAL 11 9.373 2.128 -0.346 111 HG23 VAL 11 2HG2 VAL 11 11.092 2.197 0.023 112 HA PRO 12 HA PRO 12 6.372 6.220 -0.003 113 HB2 PRO 12 2HB PRO 12 5.709 6.874 -2.884 114 HB3 PRO 12 1HB PRO 12 5.385 7.830 -1.420 115 HG2 PRO 12 2HG PRO 12 7.330 8.547 -3.094 116 HG3 PRO 12 1HG PRO 12 7.567 8.665 -1.335 117 HD2 PRO 12 2HD PRO 12 8.626 6.534 -3.230 118 HD3 PRO 12 1HD PRO 12 9.433 7.350 -1.867 119 H VAL 13 H VAL 13 4.456 5.026 0.030 120 HA VAL 13 HA VAL 13 4.415 2.520 -1.558 121 HB VAL 13 HB VAL 13 2.682 3.308 0.828 122 HG11 VAL 13 1HG1 VAL 13 2.278 0.856 0.946 123 HG12 VAL 13 2HG1 VAL 13 3.253 0.631 -0.506 124 HG13 VAL 13 3HG1 VAL 13 1.731 1.514 -0.593 125 HG21 VAL 13 3HG2 VAL 13 5.229 1.649 0.708 126 HG22 VAL 13 1HG2 VAL 13 4.213 1.855 2.135 127 HG23 VAL 13 2HG2 VAL 13 5.070 3.236 1.457 128 H LYS 14 H LYS 14 2.921 2.191 -3.132 129 HA LYS 14 HA LYS 14 0.653 4.125 -3.437 130 HB2 LYS 14 2HB LYS 14 2.398 2.903 -5.608 131 HB3 LYS 14 1HB LYS 14 0.970 3.901 -5.887 132 HG2 LYS 14 2HG LYS 14 2.039 5.776 -4.674 133 HG3 LYS 14 1HG LYS 14 3.472 4.782 -4.404 134 HD2 LYS 14 2HD LYS 14 3.810 4.592 -6.844 135 HD3 LYS 14 1HD LYS 14 2.375 5.580 -7.121 136 HE2 LYS 14 2HE LYS 14 4.420 6.952 -7.273 137 HE3 LYS 14 1HE LYS 14 3.433 7.459 -5.903 138 HZ1 LYS 14 3HZ LYS 14 4.823 6.230 -4.425 139 HZ2 LYS 14 1HZ LYS 14 5.822 7.214 -5.379 140 HZ3 LYS 14 2HZ LYS 14 5.701 5.552 -5.712 141 H LEU 15 H LEU 15 -1.269 3.187 -3.499 142 HA LEU 15 HA LEU 15 -1.503 0.235 -3.749 143 HB2 LEU 15 2HB LEU 15 -3.263 2.425 -2.595 144 HB3 LEU 15 1HB LEU 15 -3.988 0.887 -3.057 145 HG LEU 15 HG LEU 15 -2.423 -0.303 -1.548 146 HD11 LEU 15 1HD1 LEU 15 -1.099 1.082 0.104 147 HD12 LEU 15 2HD1 LEU 15 -1.454 2.501 -0.887 148 HD13 LEU 15 3HD1 LEU 15 -0.507 1.170 -1.550 149 HD21 LEU 15 3HD2 LEU 15 -3.939 1.972 -0.216 150 HD22 LEU 15 1HD2 LEU 15 -3.417 0.487 0.583 151 HD23 LEU 15 2HD2 LEU 15 -4.624 0.418 -0.701 152 H GLU 16 H GLU 16 -2.483 -0.704 -5.459 153 HA GLU 16 HA GLU 16 -3.643 1.029 -7.610 154 HB2 GLU 16 2HB GLU 16 -1.469 -0.087 -8.181 155 HB3 GLU 16 1HB GLU 16 -2.225 -1.651 -7.891 156 HG2 GLU 16 2HG GLU 16 -3.874 -1.202 -9.673 157 HG3 GLU 16 1HG GLU 16 -3.161 0.387 -9.943 158 H LEU 17 H LEU 17 -5.807 0.850 -7.354 159 HA LEU 17 HA LEU 17 -7.136 -1.419 -6.244 160 HB2 LEU 17 2HB LEU 17 -8.304 0.757 -8.029 161 HB3 LEU 17 1HB LEU 17 -9.185 -0.259 -6.886 162 HG LEU 17 HG LEU 17 -7.046 1.783 -6.157 163 HD11 LEU 17 1HD1 LEU 17 -8.926 3.058 -5.189 164 HD12 LEU 17 2HD1 LEU 17 -10.057 1.835 -5.768 165 HD13 LEU 17 3HD1 LEU 17 -9.151 2.816 -6.921 166 HD21 LEU 17 3HD2 LEU 17 -8.033 1.334 -3.782 167 HD22 LEU 17 1HD2 LEU 17 -6.939 0.128 -4.448 168 HD23 LEU 17 2HD2 LEU 17 -8.680 -0.155 -4.474 169 H THR 18 H THR 18 -7.588 -3.313 -7.186 170 HA THR 18 HA THR 18 -7.590 -3.523 -10.175 171 HB THR 18 HB THR 18 -6.902 -5.706 -8.179 172 HG1 THR 18 1HG THR 18 -5.042 -4.780 -8.102 173 HG21 THR 18 3HG2 THR 18 -6.003 -6.844 -10.183 174 HG22 THR 18 1HG2 THR 18 -6.552 -5.502 -11.185 175 HG23 THR 18 2HG2 THR 18 -7.726 -6.524 -10.356 176 H GLY 19 H GLY 19 -9.405 -4.173 -11.045 177 HA2 GLY 19 2HA GLY 19 -11.281 -5.755 -11.140 178 HA3 GLY 19 1HA GLY 19 -11.528 -5.514 -9.415 179 H ASP 20 H ASP 20 -13.712 -5.063 -10.084 180 HA ASP 20 HA ASP 20 -14.125 -2.226 -10.958 181 HB2 ASP 20 2HB ASP 20 -14.992 -3.915 -12.585 182 HB3 ASP 20 1HB ASP 20 -16.037 -4.559 -11.323 183 H LYS 21 H LYS 21 -15.616 -1.025 -9.830 184 HA LYS 21 HA LYS 21 -15.894 -1.614 -7.043 185 HB2 LYS 21 2HB LYS 21 -17.291 0.499 -8.713 186 HB3 LYS 21 1HB LYS 21 -17.224 0.460 -6.949 187 HG2 LYS 21 2HG LYS 21 -14.673 0.505 -7.156 188 HG3 LYS 21 1HG LYS 21 -14.891 0.835 -8.871 189 HD2 LYS 21 2HD LYS 21 -15.950 2.549 -6.587 190 HD3 LYS 21 1HD LYS 21 -14.538 2.914 -7.573 191 HE2 LYS 21 2HE LYS 21 -16.105 2.844 -9.610 192 HE3 LYS 21 1HE LYS 21 -17.438 2.867 -8.454 193 HZ1 LYS 21 3HZ LYS 21 -15.680 4.830 -7.637 194 HZ2 LYS 21 1HZ LYS 21 -17.198 5.046 -8.360 195 HZ3 LYS 21 2HZ LYS 21 -15.800 5.001 -9.323 196 H ALA 22 H ALA 22 -17.613 -2.375 -5.896 197 HA ALA 22 HA ALA 22 -19.532 -4.035 -7.181 198 HB1 ALA 22 1HB ALA 22 -19.532 -2.935 -4.360 199 HB2 ALA 22 2HB ALA 22 -18.764 -4.432 -4.879 200 HB3 ALA 22 3HB ALA 22 -20.520 -4.278 -4.937 201 H SER 23 H SER 23 -21.803 -3.802 -7.335 202 HA SER 23 HA SER 23 -22.695 -1.274 -8.254 203 HB2 SER 23 2HB SER 23 -23.672 -3.392 -9.029 204 HB3 SER 23 1HB SER 23 -24.333 -3.681 -7.421 205 HG SER 23 HG SER 23 -25.043 -1.777 -9.360 206 H ASN 24 H ASN 24 -22.616 -2.670 -5.064 207 HA ASN 24 HA ASN 24 -24.643 -0.915 -3.924 208 HB2 ASN 24 2HB ASN 24 -24.454 -3.083 -2.936 209 HB3 ASN 24 1HB ASN 24 -22.704 -2.986 -2.875 210 HD21 ASN 24 1HD2 ASN 24 -21.787 -2.271 -0.956 211 HD22 ASN 24 2HD2 ASN 24 -22.656 -1.570 0.314 212 H VAL 25 H VAL 25 -21.239 -0.866 -4.547 213 HA VAL 25 HA VAL 25 -20.819 1.445 -2.727 214 HB VAL 25 HB VAL 25 -18.783 -0.286 -4.156 215 HG11 VAL 25 1HG1 VAL 25 -18.510 1.900 -2.052 216 HG12 VAL 25 2HG1 VAL 25 -17.877 1.940 -3.698 217 HG13 VAL 25 3HG1 VAL 25 -17.209 0.816 -2.526 218 HG21 VAL 25 3HG2 VAL 25 -19.689 -0.260 -1.252 219 HG22 VAL 25 1HG2 VAL 25 -18.387 -1.249 -1.911 220 HG23 VAL 25 2HG2 VAL 25 -20.048 -1.529 -2.422 221 H SER 26 H SER 26 -20.700 3.407 -3.538 222 HA SER 26 HA SER 26 -20.762 3.885 -6.431 223 HB2 SER 26 2HB SER 26 -21.209 5.563 -3.963 224 HB3 SER 26 1HB SER 26 -21.041 6.317 -5.551 225 HG SER 26 HG SER 26 -23.197 5.873 -5.195 226 H SER 27 H SER 27 -18.646 4.315 -3.657 227 HA SER 27 HA SER 27 -16.341 4.806 -5.381 228 HB2 SER 27 2HB SER 27 -15.721 6.904 -4.300 229 HB3 SER 27 1HB SER 27 -17.320 7.077 -5.021 230 HG SER 27 HG SER 27 -18.192 6.638 -2.942 231 H ILE 28 H ILE 28 -14.342 4.717 -4.196 232 HA ILE 28 HA ILE 28 -14.487 3.372 -1.533 233 HB ILE 28 HB ILE 28 -12.641 2.706 -3.860 234 HG12 ILE 28 2HG1 ILE 28 -14.831 0.993 -2.610 235 HG13 ILE 28 1HG1 ILE 28 -15.094 1.945 -4.067 236 HG21 ILE 28 1HG2 ILE 28 -11.965 0.780 -2.352 237 HG22 ILE 28 2HG2 ILE 28 -12.910 1.515 -1.062 238 HG23 ILE 28 3HG2 ILE 28 -11.503 2.351 -1.712 239 HD11 ILE 28 3HD1 ILE 28 -14.531 -0.358 -4.647 240 HD12 ILE 28 1HD1 ILE 28 -13.032 -0.236 -3.725 241 HD13 ILE 28 2HD1 ILE 28 -13.251 0.736 -5.177 242 H SER 29 H SER 29 -13.153 4.175 -0.041 243 HA SER 29 HA SER 29 -10.960 6.056 -0.817 244 HB2 SER 29 2HB SER 29 -12.861 6.263 1.537 245 HB3 SER 29 1HB SER 29 -11.484 7.322 1.233 246 HG SER 29 HG SER 29 -12.995 8.406 0.202 247 H TYR 30 H TYR 30 -9.114 5.956 0.500 248 HA TYR 30 HA TYR 30 -8.964 3.792 2.522 249 HB2 TYR 30 2HB TYR 30 -6.842 3.020 1.513 250 HB3 TYR 30 1HB TYR 30 -8.200 2.804 0.411 251 HD1 TYR 30 2HD TYR 30 -5.181 4.842 1.129 252 HD2 TYR 30 1HD TYR 30 -8.414 4.168 -1.631 253 HE1 TYR 30 2HE TYR 30 -4.056 6.275 -0.549 254 HE2 TYR 30 1HE TYR 30 -7.282 5.608 -3.299 255 HH TYR 30 HH TYR 30 -4.871 7.712 -2.574 256 H SER 31 H SER 31 -7.320 4.051 4.025 257 HA SER 31 HA SER 31 -5.655 6.476 3.994 258 HB2 SER 31 2HB SER 31 -6.502 7.271 6.131 259 HB3 SER 31 1HB SER 31 -7.852 7.145 5.007 260 HG SER 31 HG SER 31 -8.473 6.168 6.894 261 H PHE 32 H PHE 32 -3.949 6.387 5.476 262 HA PHE 32 HA PHE 32 -3.565 3.949 7.092 263 HB2 PHE 32 2HB PHE 32 -1.257 3.684 6.007 264 HB3 PHE 32 1HB PHE 32 -2.625 3.218 4.998 265 HD1 PHE 32 2HD PHE 32 -0.250 6.028 5.714 266 HD2 PHE 32 1HD PHE 32 -3.060 4.373 2.904 267 HE1 PHE 32 2HE PHE 32 0.435 7.705 4.032 268 HE2 PHE 32 1HE PHE 32 -2.368 6.058 1.231 269 HZ PHE 32 HZ PHE 32 -0.621 7.724 1.792 270 H ASP 33 H ASP 33 -2.079 4.200 8.743 271 HA ASP 33 HA ASP 33 -1.696 6.870 9.708 272 HB2 ASP 33 2HB ASP 33 -0.461 4.270 10.666 273 HB3 ASP 33 1HB ASP 33 -0.491 5.791 11.555 274 H ARG 34 H ARG 34 0.401 4.512 8.074 275 HA ARG 34 HA ARG 34 2.419 6.631 7.580 276 HB2 ARG 34 2HB ARG 34 3.008 3.824 8.594 277 HB3 ARG 34 1HB ARG 34 4.224 4.969 8.027 278 HG2 ARG 34 2HG ARG 34 3.539 6.560 9.800 279 HG3 ARG 34 1HG ARG 34 2.358 5.388 10.383 280 HD2 ARG 34 2HD ARG 34 5.347 4.871 10.236 281 HD3 ARG 34 1HD ARG 34 4.483 5.343 11.696 282 HE ARG 34 HE ARG 34 3.210 3.072 10.639 283 HH11 ARG 34 1HH2 ARG 34 6.241 4.018 12.053 284 HH12 ARG 34 2HH2 ARG 34 6.562 2.455 12.729 285 HH21 ARG 34 1HH1 ARG 34 3.642 1.031 11.528 286 HH22 ARG 34 2HH1 ARG 34 5.096 0.771 12.433 287 H GLY 35 H GLY 35 2.972 6.671 5.481 288 HA2 GLY 35 2HA GLY 35 2.303 4.341 3.719 289 HA3 GLY 35 1HA GLY 35 2.160 6.026 3.236 290 H HIS 36 H HIS 36 4.864 4.984 5.194 291 HA HIS 36 HA HIS 36 6.676 4.775 2.876 292 HB2 HIS 36 2HB HIS 36 8.222 6.436 3.913 293 HB3 HIS 36 1HB HIS 36 6.697 7.168 3.416 294 HD2 HIS 36 2HD HIS 36 8.803 6.804 6.607 295 HE1 HIS 36 1HE HIS 36 4.972 8.056 7.864 296 HE2 HIS 36 2HE HIS 36 7.373 7.693 8.604 297 H VAL 37 H VAL 37 8.349 3.409 3.264 298 HA VAL 37 HA VAL 37 8.849 2.389 6.026 299 HB VAL 37 HB VAL 37 9.115 0.113 5.021 300 HG11 VAL 37 1HG1 VAL 37 6.708 -0.330 4.756 301 HG12 VAL 37 2HG1 VAL 37 6.400 1.390 4.529 302 HG13 VAL 37 3HG1 VAL 37 6.979 0.794 6.083 303 HG21 VAL 37 3HG2 VAL 37 7.960 1.453 2.536 304 HG22 VAL 37 1HG2 VAL 37 8.190 -0.282 2.736 305 HG23 VAL 37 2HG2 VAL 37 9.585 0.788 2.685 306 H THR 38 H THR 38 10.998 1.377 6.230 307 HA THR 38 HA THR 38 13.018 2.747 4.526 308 HB THR 38 HB THR 38 13.313 1.469 7.278 309 HG1 THR 38 1HG THR 38 12.108 3.220 7.611 310 HG21 THR 38 3HG2 THR 38 15.135 3.285 5.658 311 HG22 THR 38 1HG2 THR 38 15.438 1.590 6.043 312 HG23 THR 38 2HG2 THR 38 15.418 2.795 7.326 313 H ILE 39 H ILE 39 14.385 1.573 3.310 314 HA ILE 39 HA ILE 39 14.364 -1.408 3.487 315 HB ILE 39 HB ILE 39 14.806 -1.377 1.055 316 HG12 ILE 39 2HG1 ILE 39 14.371 1.627 1.253 317 HG13 ILE 39 1HG1 ILE 39 15.933 0.882 0.972 318 HG21 ILE 39 1HG2 ILE 39 12.551 -0.740 0.353 319 HG22 ILE 39 2HG2 ILE 39 12.370 0.321 1.750 320 HG23 ILE 39 3HG2 ILE 39 12.445 -1.422 1.972 321 HD11 ILE 39 3HD1 ILE 39 14.967 -0.177 -1.096 322 HD12 ILE 39 1HD1 ILE 39 15.057 1.586 -1.145 323 HD13 ILE 39 2HD1 ILE 39 13.514 0.795 -0.837 324 H VAL 40 H VAL 40 16.333 -2.479 3.329 325 HA VAL 40 HA VAL 40 18.825 -0.827 3.295 326 HB VAL 40 HB VAL 40 18.209 -3.098 5.226 327 HG11 VAL 40 1HG1 VAL 40 20.627 -1.273 4.923 328 HG12 VAL 40 2HG1 VAL 40 20.596 -3.016 4.663 329 HG13 VAL 40 3HG1 VAL 40 20.370 -2.368 6.282 330 HG21 VAL 40 3HG2 VAL 40 18.433 -0.095 5.668 331 HG22 VAL 40 1HG2 VAL 40 18.266 -1.297 6.949 332 HG23 VAL 40 2HG2 VAL 40 16.959 -1.055 5.792 333 H GLY 41 H GLY 41 20.388 -1.625 2.033 334 HA2 GLY 41 2HA GLY 41 21.140 -4.230 1.545 335 HA3 GLY 41 1HA GLY 41 19.877 -3.927 0.356 336 H SER 42 H SER 42 21.517 -4.226 -1.263 337 HA SER 42 HA SER 42 23.813 -2.543 -1.501 338 HB2 SER 42 2HB SER 42 23.650 -4.687 -2.684 339 HB3 SER 42 1HB SER 42 22.282 -4.084 -3.615 340 HG SER 42 HG SER 42 24.999 -3.410 -3.742 341 H GLN 43 H GLN 43 24.135 -0.738 -2.846 342 HA GLN 43 HA GLN 43 22.009 1.128 -2.935 343 HB2 GLN 43 2HB GLN 43 24.454 1.702 -2.772 344 HB3 GLN 43 1HB GLN 43 24.643 1.217 -4.453 345 HG2 GLN 43 2HG GLN 43 24.390 3.638 -4.354 346 HG3 GLN 43 1HG GLN 43 22.952 2.960 -5.103 347 HE21 GLN 43 1HE2 GLN 43 21.308 4.372 -4.420 348 HE22 GLN 43 2HE2 GLN 43 21.002 4.757 -2.796 349 H GLU 44 H GLU 44 23.441 -0.989 -5.386 350 HA GLU 44 HA GLU 44 22.140 0.065 -7.650 351 HB2 GLU 44 2HB GLU 44 23.039 -2.782 -7.086 352 HB3 GLU 44 1HB GLU 44 22.608 -2.156 -8.678 353 HG2 GLU 44 2HG GLU 44 24.411 -0.477 -8.515 354 HG3 GLU 44 1HG GLU 44 24.842 -1.087 -6.920 355 H ALA 45 H ALA 45 21.122 -2.376 -5.296 356 HA ALA 45 HA ALA 45 18.772 -3.214 -6.646 357 HB1 ALA 45 1HB ALA 45 19.855 -4.467 -4.797 358 HB2 ALA 45 2HB ALA 45 18.142 -4.182 -4.496 359 HB3 ALA 45 3HB ALA 45 19.358 -3.206 -3.668 360 H MET 46 H MET 46 19.409 -0.642 -4.283 361 HA MET 46 HA MET 46 16.689 0.121 -3.875 362 HB2 MET 46 2HB MET 46 19.291 1.651 -3.518 363 HB3 MET 46 1HB MET 46 17.718 2.262 -3.000 364 HG2 MET 46 2HG MET 46 17.434 0.301 -1.532 365 HG3 MET 46 1HG MET 46 19.004 -0.315 -2.045 366 HE1 MET 46 3HE MET 46 18.440 0.010 0.992 367 HE2 MET 46 1HE MET 46 19.995 0.705 1.469 368 HE3 MET 46 2HE MET 46 19.929 -0.535 0.220 369 H ASP 47 H ASP 47 19.203 1.216 -6.147 370 HA ASP 47 HA ASP 47 17.776 3.390 -7.248 371 HB2 ASP 47 2HB ASP 47 19.907 1.609 -8.476 372 HB3 ASP 47 1HB ASP 47 19.381 3.153 -9.143 373 H LYS 48 H LYS 48 17.532 -0.062 -7.735 374 HA LYS 48 HA LYS 48 16.171 0.057 -10.289 375 HB2 LYS 48 2HB LYS 48 17.526 -1.895 -9.479 376 HB3 LYS 48 1HB LYS 48 16.292 -2.220 -8.267 377 HG2 LYS 48 2HG LYS 48 14.605 -2.453 -10.111 378 HG3 LYS 48 1HG LYS 48 15.898 -2.238 -11.286 379 HD2 LYS 48 2HD LYS 48 15.774 -4.466 -9.210 380 HD3 LYS 48 1HD LYS 48 15.333 -4.641 -10.904 381 HE2 LYS 48 2HE LYS 48 17.751 -3.815 -11.431 382 HE3 LYS 48 1HE LYS 48 18.094 -4.191 -9.740 383 HZ1 LYS 48 3HZ LYS 48 17.978 -6.375 -10.120 384 HZ2 LYS 48 1HZ LYS 48 18.202 -5.962 -11.750 385 HZ3 LYS 48 2HZ LYS 48 16.636 -6.244 -11.154 386 H ILE 49 H ILE 49 15.265 -0.159 -6.883 387 HA ILE 49 HA ILE 49 12.401 -0.433 -7.437 388 HB ILE 49 HB ILE 49 13.840 0.098 -4.799 389 HG12 ILE 49 2HG1 ILE 49 12.836 -2.569 -5.915 390 HG13 ILE 49 1HG1 ILE 49 14.520 -2.065 -5.990 391 HG21 ILE 49 1HG2 ILE 49 11.442 0.658 -4.713 392 HG22 ILE 49 2HG2 ILE 49 11.724 -0.821 -3.813 393 HG23 ILE 49 3HG2 ILE 49 11.031 -0.897 -5.432 394 HD11 ILE 49 3HD1 ILE 49 14.168 -3.512 -4.050 395 HD12 ILE 49 1HD1 ILE 49 12.905 -2.439 -3.448 396 HD13 ILE 49 2HD1 ILE 49 14.578 -1.881 -3.519 397 H ASP 50 H ASP 50 11.220 1.284 -8.033 398 HA ASP 50 HA ASP 50 12.056 4.052 -7.337 399 HB2 ASP 50 2HB ASP 50 11.642 3.496 -9.726 400 HB3 ASP 50 1HB ASP 50 9.990 3.043 -9.325 401 H SER 51 H SER 51 9.631 1.641 -6.828 402 HA SER 51 HA SER 51 8.480 2.990 -4.581 403 HB2 SER 51 2HB SER 51 6.238 3.382 -5.481 404 HB3 SER 51 1HB SER 51 7.412 4.305 -6.413 405 HG SER 51 HG SER 51 5.873 3.092 -7.684 406 H ILE 52 H ILE 52 6.655 1.767 -3.682 407 HA ILE 52 HA ILE 52 6.841 -1.146 -4.305 408 HB ILE 52 HB ILE 52 5.836 0.226 -1.775 409 HG12 ILE 52 2HG1 ILE 52 8.211 0.718 -2.017 410 HG13 ILE 52 1HG1 ILE 52 8.004 -0.499 -0.766 411 HG21 ILE 52 1HG2 ILE 52 6.482 -2.677 -2.426 412 HG22 ILE 52 2HG2 ILE 52 4.894 -2.005 -2.044 413 HG23 ILE 52 3HG2 ILE 52 6.144 -2.074 -0.805 414 HD11 ILE 52 3HD1 ILE 52 9.829 -1.303 -2.015 415 HD12 ILE 52 1HD1 ILE 52 9.117 -0.834 -3.553 416 HD13 ILE 52 2HD1 ILE 52 8.490 -2.233 -2.679 417 H THR 53 H THR 53 5.182 -1.934 -5.403 418 HA THR 53 HA THR 53 2.585 -0.558 -5.519 419 HB THR 53 HB THR 53 3.568 -1.435 -7.601 420 HG1 THR 53 1HG THR 53 1.166 -1.816 -6.727 421 HG21 THR 53 3HG2 THR 53 3.965 -3.784 -7.986 422 HG22 THR 53 1HG2 THR 53 3.206 -4.227 -6.460 423 HG23 THR 53 2HG2 THR 53 4.766 -3.408 -6.462 424 H VAL 54 H VAL 54 0.782 -1.266 -4.438 425 HA VAL 54 HA VAL 54 0.837 -3.909 -3.066 426 HB VAL 54 HB VAL 54 -0.201 -1.298 -1.888 427 HG11 VAL 54 1HG1 VAL 54 0.158 -4.079 -0.709 428 HG12 VAL 54 2HG1 VAL 54 -1.380 -3.297 -1.079 429 HG13 VAL 54 3HG1 VAL 54 -0.349 -2.650 0.193 430 HG21 VAL 54 3HG2 VAL 54 1.750 -1.471 -0.357 431 HG22 VAL 54 1HG2 VAL 54 2.252 -1.253 -2.032 432 HG23 VAL 54 2HG2 VAL 54 2.340 -2.847 -1.288 433 HA PRO 55 HA PRO 55 -3.107 -3.227 -5.428 434 HB2 PRO 55 2HB PRO 55 -3.332 -5.590 -6.725 435 HB3 PRO 55 1HB PRO 55 -2.159 -4.364 -7.263 436 HG2 PRO 55 2HG PRO 55 -1.677 -6.834 -5.613 437 HG3 PRO 55 1HG PRO 55 -0.721 -6.183 -6.961 438 HD2 PRO 55 2HD PRO 55 -0.097 -5.750 -4.258 439 HD3 PRO 55 1HD PRO 55 0.437 -4.675 -5.572 440 H VAL 56 H VAL 56 -5.182 -3.798 -4.854 441 HA VAL 56 HA VAL 56 -5.610 -6.052 -2.972 442 HB VAL 56 HB VAL 56 -5.223 -4.003 -1.621 443 HG11 VAL 56 1HG1 VAL 56 -6.052 -2.366 -3.330 444 HG12 VAL 56 2HG1 VAL 56 -6.731 -2.103 -1.724 445 HG13 VAL 56 3HG1 VAL 56 -7.704 -2.872 -2.973 446 HG21 VAL 56 3HG2 VAL 56 -8.155 -4.841 -1.573 447 HG22 VAL 56 1HG2 VAL 56 -7.210 -4.206 -0.226 448 HG23 VAL 56 2HG2 VAL 56 -6.839 -5.794 -0.890 449 H ASP 57 H ASP 57 -7.472 -7.103 -3.264 450 HA ASP 57 HA ASP 57 -9.128 -6.505 -5.572 451 HB2 ASP 57 2HB ASP 57 -8.598 -8.832 -4.895 452 HB3 ASP 57 1HB ASP 57 -9.481 -8.595 -3.390 453 H ILE 58 H ILE 58 -10.923 -5.253 -5.562 454 HA ILE 58 HA ILE 58 -12.183 -4.493 -2.972 455 HB ILE 58 HB ILE 58 -13.043 -2.531 -4.311 456 HG12 ILE 58 2HG1 ILE 58 -10.962 -3.386 -6.382 457 HG13 ILE 58 1HG1 ILE 58 -12.683 -3.702 -6.581 458 HG21 ILE 58 1HG2 ILE 58 -11.076 -2.312 -2.846 459 HG22 ILE 58 2HG2 ILE 58 -10.866 -1.321 -4.288 460 HG23 ILE 58 3HG2 ILE 58 -10.023 -2.863 -4.149 461 HD11 ILE 58 3HD1 ILE 58 -13.192 -1.331 -6.501 462 HD12 ILE 58 1HD1 ILE 58 -11.961 -1.618 -7.730 463 HD13 ILE 58 2HD1 ILE 58 -11.502 -0.935 -6.172 464 H SER 59 H SER 59 -12.609 -6.512 -5.569 465 HA SER 59 HA SER 59 -15.444 -6.099 -6.038 466 HB2 SER 59 2HB SER 59 -15.240 -8.082 -7.464 467 HB3 SER 59 1HB SER 59 -13.932 -6.950 -7.791 468 HG SER 59 HG SER 59 -12.531 -8.293 -6.912 469 H GLN 60 H GLN 60 -13.600 -7.760 -3.653 470 HA GLN 60 HA GLN 60 -15.815 -9.621 -2.965 471 HB2 GLN 60 2HB GLN 60 -12.837 -9.548 -2.432 472 HB3 GLN 60 1HB GLN 60 -13.879 -10.458 -1.341 473 HG2 GLN 60 2HG GLN 60 -12.952 -11.892 -3.147 474 HG3 GLN 60 1HG GLN 60 -14.711 -11.819 -3.200 475 HE21 GLN 60 1HE2 GLN 60 -15.708 -10.637 -4.985 476 HE22 GLN 60 2HE2 GLN 60 -14.812 -10.199 -6.357 477 H VAL 61 H VAL 61 -14.533 -6.569 -2.076 478 HA VAL 61 HA VAL 61 -15.482 -6.776 0.720 479 HB VAL 61 HB VAL 61 -14.152 -4.896 1.191 480 HG11 VAL 61 1HG1 VAL 61 -12.604 -6.391 -0.931 481 HG12 VAL 61 2HG1 VAL 61 -12.819 -6.918 0.739 482 HG13 VAL 61 3HG1 VAL 61 -11.919 -5.443 0.385 483 HG21 VAL 61 3HG2 VAL 61 -14.698 -3.259 -0.437 484 HG22 VAL 61 1HG2 VAL 61 -14.227 -4.306 -1.768 485 HG23 VAL 61 2HG2 VAL 61 -12.990 -3.577 -0.751 486 H THR 62 H THR 62 -17.311 -5.843 1.348 487 HA THR 62 HA THR 62 -18.610 -3.743 -0.311 488 HB THR 62 HB THR 62 -20.762 -4.873 -0.068 489 HG1 THR 62 1HG THR 62 -19.464 -6.167 1.821 490 HG21 THR 62 3HG2 THR 62 -19.308 -5.458 -2.028 491 HG22 THR 62 1HG2 THR 62 -20.383 -6.777 -1.555 492 HG23 THR 62 2HG2 THR 62 -18.680 -6.825 -1.104 493 H GLU 63 H GLU 63 -17.163 -4.302 2.459 494 HA GLU 63 HA GLU 63 -18.923 -2.506 4.003 495 HB2 GLU 63 2HB GLU 63 -17.982 -5.184 5.067 496 HB3 GLU 63 1HB GLU 63 -18.783 -3.941 6.021 497 HG2 GLU 63 2HG GLU 63 -19.995 -5.441 3.669 498 HG3 GLU 63 1HG GLU 63 -20.380 -5.678 5.361 499 H ASP 64 H ASP 64 -17.860 -1.252 5.506 500 HA ASP 64 HA ASP 64 -15.156 -0.652 5.111 501 HB2 ASP 64 2HB ASP 64 -16.766 0.886 6.201 502 HB3 ASP 64 1HB ASP 64 -16.804 -0.161 7.612 503 H THR 65 H THR 65 -13.283 -1.376 5.970 504 HA THR 65 HA THR 65 -13.083 -2.896 8.402 505 HB THR 65 HB THR 65 -14.010 -4.691 7.036 506 HG1 THR 65 1HG THR 65 -11.777 -5.881 6.873 507 HG21 THR 65 3HG2 THR 65 -11.716 -4.165 5.113 508 HG22 THR 65 1HG2 THR 65 -13.401 -3.740 4.811 509 HG23 THR 65 2HG2 THR 65 -12.931 -5.432 4.968 510 H SER 66 H SER 66 -10.790 -4.094 8.300 511 HA SER 66 HA SER 66 -8.771 -2.522 6.848 512 HB2 SER 66 2HB SER 66 -9.146 -1.205 8.893 513 HB3 SER 66 1HB SER 66 -8.860 -2.637 9.879 514 HG SER 66 HG SER 66 -6.767 -2.608 9.334 515 H LYS 67 H LYS 67 -6.836 -3.573 6.631 516 HA LYS 67 HA LYS 67 -6.387 -6.155 7.996 517 HB2 LYS 67 2HB LYS 67 -5.996 -7.275 5.759 518 HB3 LYS 67 1HB LYS 67 -7.681 -6.861 6.078 519 HG2 LYS 67 2HG LYS 67 -7.451 -4.808 4.729 520 HG3 LYS 67 1HG LYS 67 -5.762 -5.203 4.407 521 HD2 LYS 67 2HD LYS 67 -6.442 -7.270 3.264 522 HD3 LYS 67 1HD LYS 67 -8.133 -6.943 3.640 523 HE2 LYS 67 2HE LYS 67 -7.612 -6.269 1.338 524 HE3 LYS 67 1HE LYS 67 -8.030 -4.864 2.313 525 HZ1 LYS 67 3HZ LYS 67 -5.623 -5.415 0.935 526 HZ2 LYS 67 1HZ LYS 67 -5.302 -5.227 2.589 527 HZ3 LYS 67 2HZ LYS 67 -6.095 -3.992 1.735 528 H THR 68 H THR 68 -4.287 -6.755 8.136 529 HA THR 68 HA THR 68 -2.293 -4.689 7.588 530 HB THR 68 HB THR 68 -1.888 -7.463 8.779 531 HG1 THR 68 1HG THR 68 -2.407 -4.947 9.974 532 HG21 THR 68 3HG2 THR 68 -0.221 -4.920 8.867 533 HG22 THR 68 1HG2 THR 68 0.203 -6.404 8.014 534 HG23 THR 68 2HG2 THR 68 0.128 -6.390 9.774 535 H LEU 69 H LEU 69 -0.799 -4.704 6.001 536 HA LEU 69 HA LEU 69 -0.682 -7.009 4.102 537 HB2 LEU 69 2HB LEU 69 -0.355 -4.043 3.545 538 HB3 LEU 69 1HB LEU 69 -0.245 -5.334 2.349 539 HG LEU 69 HG LEU 69 -2.715 -4.666 3.993 540 HD11 LEU 69 1HD1 LEU 69 -2.185 -2.948 2.297 541 HD12 LEU 69 2HD1 LEU 69 -3.641 -3.842 1.865 542 HD13 LEU 69 3HD1 LEU 69 -2.119 -4.201 1.057 543 HD21 LEU 69 3HD2 LEU 69 -2.133 -6.849 1.956 544 HD22 LEU 69 1HD2 LEU 69 -3.772 -6.218 2.117 545 HD23 LEU 69 2HD2 LEU 69 -2.986 -6.961 3.496 546 H GLU 70 H GLU 70 1.237 -7.916 3.819 547 HA GLU 70 HA GLU 70 3.629 -6.720 5.085 548 HB2 GLU 70 2HB GLU 70 3.136 -9.465 3.878 549 HB3 GLU 70 1HB GLU 70 4.613 -8.958 4.700 550 HG2 GLU 70 2HG GLU 70 3.328 -8.528 6.765 551 HG3 GLU 70 1HG GLU 70 1.846 -9.022 5.951 552 H LEU 71 H LEU 71 5.285 -5.930 3.945 553 HA LEU 71 HA LEU 71 5.170 -5.962 0.958 554 HB2 LEU 71 2HB LEU 71 6.675 -4.045 2.779 555 HB3 LEU 71 1HB LEU 71 6.388 -3.871 1.048 556 HG LEU 71 HG LEU 71 4.263 -3.831 3.230 557 HD11 LEU 71 1HD1 LEU 71 5.678 -1.804 3.146 558 HD12 LEU 71 2HD1 LEU 71 4.027 -1.461 2.645 559 HD13 LEU 71 3HD1 LEU 71 5.299 -1.613 1.437 560 HD21 LEU 71 3HD2 LEU 71 2.794 -3.018 1.255 561 HD22 LEU 71 1HD2 LEU 71 3.178 -4.734 1.303 562 HD23 LEU 71 2HD2 LEU 71 4.054 -3.670 0.203 563 H LYS 72 H LYS 72 6.776 -6.856 -0.175 564 HA LYS 72 HA LYS 72 9.371 -7.487 1.131 565 HB2 LYS 72 2HB LYS 72 7.844 -9.487 1.261 566 HB3 LYS 72 1HB LYS 72 7.773 -9.501 -0.498 567 HG2 LYS 72 2HG LYS 72 10.221 -9.809 -0.611 568 HG3 LYS 72 1HG LYS 72 10.315 -9.746 1.149 569 HD2 LYS 72 2HD LYS 72 8.862 -11.754 1.289 570 HD3 LYS 72 1HD LYS 72 8.804 -11.821 -0.473 571 HE2 LYS 72 2HE LYS 72 11.301 -12.067 1.238 572 HE3 LYS 72 1HE LYS 72 10.505 -13.381 0.371 573 HZ1 LYS 72 3HZ LYS 72 11.820 -12.852 -1.321 574 HZ2 LYS 72 1HZ LYS 72 12.309 -11.394 -0.605 575 HZ3 LYS 72 2HZ LYS 72 10.879 -11.452 -1.519 576 H ALA 73 H ALA 73 11.106 -7.556 -0.252 577 HA ALA 73 HA ALA 73 10.739 -7.091 -3.141 578 HB1 ALA 73 1HB ALA 73 12.217 -5.101 -3.054 579 HB2 ALA 73 2HB ALA 73 12.210 -5.188 -1.292 580 HB3 ALA 73 3HB ALA 73 10.718 -4.836 -2.162 581 H GLU 74 H GLU 74 12.418 -7.912 -4.328 582 HA GLU 74 HA GLU 74 14.358 -9.572 -2.904 583 HB2 GLU 74 2HB GLU 74 13.712 -9.230 -5.855 584 HB3 GLU 74 1HB GLU 74 14.893 -10.378 -5.221 585 HG2 GLU 74 2HG GLU 74 12.823 -11.597 -5.516 586 HG3 GLU 74 1HG GLU 74 13.031 -11.367 -3.783 587 H GLY 75 H GLY 75 16.231 -8.879 -2.299 588 HA2 GLY 75 2HA GLY 75 18.482 -8.232 -3.047 589 HA3 GLY 75 1HA GLY 75 17.768 -6.922 -3.974 590 H VAL 76 H VAL 76 15.871 -6.666 -1.479 591 HA VAL 76 HA VAL 76 17.764 -5.286 0.369 592 HB VAL 76 HB VAL 76 16.280 -3.352 0.509 593 HG11 VAL 76 1HG1 VAL 76 16.980 -4.012 -2.364 594 HG12 VAL 76 2HG1 VAL 76 18.077 -3.317 -1.174 595 HG13 VAL 76 3HG1 VAL 76 16.680 -2.396 -1.726 596 HG21 VAL 76 3HG2 VAL 76 14.402 -3.101 -1.181 597 HG22 VAL 76 1HG2 VAL 76 14.101 -4.349 0.026 598 HG23 VAL 76 2HG2 VAL 76 14.619 -4.801 -1.597 599 H THR 77 H THR 77 16.826 -4.875 2.474 600 HA THR 77 HA THR 77 14.827 -6.951 3.265 601 HB THR 77 HB THR 77 16.852 -5.464 4.995 602 HG1 THR 77 1HG THR 77 16.924 -8.149 4.118 603 HG21 THR 77 3HG2 THR 77 14.891 -6.283 6.246 604 HG22 THR 77 1HG2 THR 77 16.310 -7.256 6.629 605 HG23 THR 77 2HG2 THR 77 15.087 -7.882 5.527 606 H VAL 78 H VAL 78 12.836 -6.063 3.393 607 HA VAL 78 HA VAL 78 12.478 -3.203 4.005 608 HB VAL 78 HB VAL 78 10.299 -5.294 3.506 609 HG11 VAL 78 1HG1 VAL 78 10.401 -2.290 3.045 610 HG12 VAL 78 2HG1 VAL 78 9.597 -3.090 4.395 611 HG13 VAL 78 3HG1 VAL 78 9.016 -3.340 2.750 612 HG21 VAL 78 3HG2 VAL 78 11.844 -5.442 1.615 613 HG22 VAL 78 1HG2 VAL 78 11.869 -3.691 1.452 614 HG23 VAL 78 2HG2 VAL 78 10.392 -4.585 1.105 615 H GLN 79 H GLN 79 11.855 -2.464 6.020 616 HA GLN 79 HA GLN 79 10.473 -4.228 7.867 617 HB2 GLN 79 2HB GLN 79 12.174 -3.905 9.698 618 HB3 GLN 79 1HB GLN 79 12.696 -4.943 8.371 619 HG2 GLN 79 2HG GLN 79 13.917 -3.064 7.351 620 HG3 GLN 79 1HG GLN 79 13.383 -2.002 8.652 621 HE21 GLN 79 1HE2 GLN 79 15.108 -5.147 8.217 622 HE22 GLN 79 2HE2 GLN 79 16.169 -4.910 9.521 623 HA PRO 80 HA PRO 80 9.538 -4.038 10.103 624 HB2 PRO 80 2HB PRO 80 7.020 -3.301 10.888 625 HB3 PRO 80 1HB PRO 80 8.471 -2.727 11.744 626 HG2 PRO 80 2HG PRO 80 6.887 -1.321 9.599 627 HG3 PRO 80 1HG PRO 80 7.425 -0.694 11.174 628 HD2 PRO 80 2HD PRO 80 8.835 -0.156 8.904 629 HD3 PRO 80 1HD PRO 80 9.673 -0.438 10.448 630 H SER 81 H SER 81 8.426 -2.400 7.391 631 HA SER 81 HA SER 81 7.321 -2.994 5.485 632 HB2 SER 81 2HB SER 81 7.882 -5.102 4.645 633 HB3 SER 81 1HB SER 81 9.055 -4.941 5.933 634 HG SER 81 HG SER 81 7.882 -6.293 7.189 635 H THR 82 H THR 82 5.848 -2.956 8.150 636 HA THR 82 HA THR 82 3.332 -4.235 7.196 637 HB THR 82 HB THR 82 2.822 -4.652 9.623 638 HG1 THR 82 1HG THR 82 4.338 -3.112 10.411 639 HG21 THR 82 3HG2 THR 82 5.329 -5.978 8.538 640 HG22 THR 82 1HG2 THR 82 3.671 -6.502 8.267 641 HG23 THR 82 2HG2 THR 82 4.373 -6.589 9.882 642 H VAL 83 H VAL 83 1.591 -2.976 7.374 643 HA VAL 83 HA VAL 83 1.566 -0.509 8.957 644 HB VAL 83 HB VAL 83 0.889 0.876 6.962 645 HG11 VAL 83 1HG1 VAL 83 3.132 1.336 6.190 646 HG12 VAL 83 2HG1 VAL 83 3.685 -0.285 6.602 647 HG13 VAL 83 3HG1 VAL 83 3.266 0.858 7.880 648 HG21 VAL 83 3HG2 VAL 83 1.870 -1.552 5.403 649 HG22 VAL 83 1HG2 VAL 83 1.487 0.018 4.693 650 HG23 VAL 83 2HG2 VAL 83 0.216 -0.940 5.447 651 H LYS 84 H LYS 84 -0.576 0.339 9.179 652 HA LYS 84 HA LYS 84 -2.702 -1.688 8.683 653 HB2 LYS 84 2HB LYS 84 -2.565 0.676 10.591 654 HB3 LYS 84 1HB LYS 84 -3.941 -0.413 10.411 655 HG2 LYS 84 2HG LYS 84 -2.588 -2.321 11.136 656 HG3 LYS 84 1HG LYS 84 -1.145 -1.308 11.192 657 HD2 LYS 84 2HD LYS 84 -2.008 -1.593 13.458 658 HD3 LYS 84 1HD LYS 84 -2.209 0.087 12.966 659 HE2 LYS 84 2HE LYS 84 -4.575 -0.180 12.680 660 HE3 LYS 84 1HE LYS 84 -4.458 -1.942 12.650 661 HZ1 LYS 84 3HZ LYS 84 -4.013 -2.012 14.925 662 HZ2 LYS 84 1HZ LYS 84 -5.259 -0.872 14.774 663 HZ3 LYS 84 2HZ LYS 84 -3.660 -0.352 15.012 664 H VAL 85 H VAL 85 -4.310 -1.228 7.300 665 HA VAL 85 HA VAL 85 -4.662 1.562 6.321 666 HB VAL 85 HB VAL 85 -3.397 0.182 4.687 667 HG11 VAL 85 1HG1 VAL 85 -4.411 -1.702 3.557 668 HG12 VAL 85 2HG1 VAL 85 -5.921 -1.496 4.437 669 HG13 VAL 85 3HG1 VAL 85 -4.465 -2.014 5.289 670 HG21 VAL 85 3HG2 VAL 85 -4.810 0.711 2.740 671 HG22 VAL 85 1HG2 VAL 85 -4.858 2.019 3.921 672 HG23 VAL 85 2HG2 VAL 85 -6.211 0.896 3.791 673 H ASN 86 H ASN 86 -6.651 2.279 6.340 674 HA ASN 86 HA ASN 86 -8.887 0.419 7.023 675 HB2 ASN 86 2HB ASN 86 -8.663 3.435 7.365 676 HB3 ASN 86 1HB ASN 86 -10.016 2.427 7.878 677 HD21 ASN 86 1HD2 ASN 86 -7.513 3.999 9.222 678 HD22 ASN 86 2HD2 ASN 86 -7.095 2.922 10.466 679 H LEU 87 H LEU 87 -10.347 0.032 5.479 680 HA LEU 87 HA LEU 87 -10.492 1.782 3.065 681 HB2 LEU 87 2HB LEU 87 -11.389 -1.107 3.374 682 HB3 LEU 87 1HB LEU 87 -11.270 -0.185 1.875 683 HG LEU 87 HG LEU 87 -8.938 -0.969 3.666 684 HD11 LEU 87 1HD1 LEU 87 -9.775 -1.980 0.927 685 HD12 LEU 87 2HD1 LEU 87 -9.928 -2.875 2.441 686 HD13 LEU 87 3HD1 LEU 87 -8.330 -2.476 1.809 687 HD21 LEU 87 3HD2 LEU 87 -8.327 1.095 2.569 688 HD22 LEU 87 1HD2 LEU 87 -9.051 0.580 1.042 689 HD23 LEU 87 2HD2 LEU 87 -7.573 -0.183 1.633 690 H LYS 88 H LYS 88 -12.109 3.202 3.313 691 HA LYS 88 HA LYS 88 -14.579 2.449 4.752 692 HB2 LYS 88 2HB LYS 88 -13.640 5.079 3.553 693 HB3 LYS 88 1HB LYS 88 -15.133 4.857 4.467 694 HG2 LYS 88 2HG LYS 88 -13.829 4.122 6.432 695 HG3 LYS 88 1HG LYS 88 -12.332 4.347 5.524 696 HD2 LYS 88 2HD LYS 88 -12.848 6.751 5.258 697 HD3 LYS 88 1HD LYS 88 -14.348 6.531 6.159 698 HE2 LYS 88 2HE LYS 88 -13.055 5.798 8.136 699 HE3 LYS 88 1HE LYS 88 -11.554 6.024 7.236 700 HZ1 LYS 88 3HZ LYS 88 -13.523 8.202 7.609 701 HZ2 LYS 88 1HZ LYS 88 -11.908 8.326 7.110 702 HZ3 LYS 88 2HZ LYS 88 -12.268 7.913 8.717 703 H VAL 89 H VAL 89 -16.376 1.856 3.714 704 HA VAL 89 HA VAL 89 -16.486 1.883 0.777 705 HB VAL 89 HB VAL 89 -18.438 0.412 1.128 706 HG11 VAL 89 1HG1 VAL 89 -16.166 -0.565 1.099 707 HG12 VAL 89 2HG1 VAL 89 -17.246 -1.480 2.150 708 HG13 VAL 89 3HG1 VAL 89 -16.070 -0.367 2.849 709 HG21 VAL 89 3HG2 VAL 89 -19.365 1.376 3.195 710 HG22 VAL 89 1HG2 VAL 89 -17.928 0.891 4.080 711 HG23 VAL 89 2HG2 VAL 89 -19.028 -0.309 3.435 712 H THR 90 H THR 90 -17.877 3.156 -0.395 713 HA THR 90 HA THR 90 -19.566 5.130 1.092 714 HB THR 90 HB THR 90 -18.706 5.189 -1.833 715 HG1 THR 90 1HG THR 90 -16.958 6.223 -1.221 716 HG21 THR 90 3HG2 THR 90 -19.778 7.332 0.029 717 HG22 THR 90 1HG2 THR 90 -20.684 6.559 -1.271 718 HG23 THR 90 2HG2 THR 90 -19.294 7.575 -1.647 719 H GLN 91 H GLN 91 -21.606 4.315 1.309 720 HA GLN 91 HA GLN 91 -22.720 2.374 -0.516 721 HB2 GLN 91 2HB GLN 91 -24.078 3.974 1.685 722 HB3 GLN 91 1HB GLN 91 -24.718 2.532 0.900 723 HG2 GLN 91 2HG GLN 91 -22.150 2.639 2.519 724 HG3 GLN 91 1HG GLN 91 -23.690 2.025 3.109 725 HE21 GLN 91 1HE2 GLN 91 -20.840 0.843 2.166 726 HE22 GLN 91 2HE2 GLN 91 -21.321 -0.565 1.350 727 H LYS 92 H LYS 92 -23.905 2.734 -2.323 728 HA LYS 92 HA LYS 92 -24.204 5.330 -3.409 729 HB2 LYS 92 2HB LYS 92 -24.196 3.213 -4.744 730 HB3 LYS 92 1HB LYS 92 -25.803 2.841 -4.124 731 HG2 LYS 92 2HG LYS 92 -26.704 4.898 -5.141 732 HG3 LYS 92 1HG LYS 92 -25.094 5.344 -5.703 733 HD2 LYS 92 2HD LYS 92 -25.019 3.293 -7.091 734 HD3 LYS 92 1HD LYS 92 -26.636 2.865 -6.533 735 HE2 LYS 92 2HE LYS 92 -26.732 3.964 -8.740 736 HE3 LYS 92 1HE LYS 92 -27.532 4.949 -7.516 737 HZ1 LYS 92 3HZ LYS 92 -24.734 5.507 -7.721 738 HZ2 LYS 92 1HZ LYS 92 -26.053 6.570 -7.782 739 HZ3 LYS 92 2HZ LYS 92 -25.543 5.770 -9.191 740 H LEU 93 H LEU 93 -25.346 6.844 -2.326 741 HA LEU 93 HA LEU 93 -27.755 6.277 -0.826 742 HB2 LEU 93 2HB LEU 93 -26.647 8.969 -1.720 743 HB3 LEU 93 1HB LEU 93 -27.791 8.680 -0.410 744 HG LEU 93 HG LEU 93 -24.907 7.710 -0.491 745 HD11 LEU 93 1HD1 LEU 93 -24.550 9.367 1.308 746 HD12 LEU 93 2HD1 LEU 93 -26.232 9.882 1.169 747 HD13 LEU 93 3HD1 LEU 93 -25.113 10.150 -0.168 748 HD21 LEU 93 3HD2 LEU 93 -25.428 7.247 2.021 749 HD22 LEU 93 1HD2 LEU 93 -26.072 6.110 0.844 750 HD23 LEU 93 2HD2 LEU 93 -27.129 7.331 1.555 751 H GLU 94 H GLU 94 -29.869 6.617 -1.431 752 HA GLU 94 HA GLU 94 -31.672 6.712 -2.864 753 HB2 GLU 94 2HB GLU 94 -30.031 8.983 -4.024 754 HB3 GLU 94 1HB GLU 94 -31.745 8.710 -4.335 755 HG2 GLU 94 2HG GLU 94 -32.229 8.955 -1.926 756 HG3 GLU 94 1HG GLU 94 -30.517 9.218 -1.605 757 H HIS 95 H HIS 95 -31.377 4.688 -3.866 758 HA HIS 95 HA HIS 95 -29.655 4.262 -6.110 759 HB2 HIS 95 2HB HIS 95 -32.131 2.724 -5.248 760 HB3 HIS 95 1HB HIS 95 -30.890 2.152 -6.365 761 HD2 HIS 95 2HD HIS 95 -31.566 2.169 -2.595 762 HE1 HIS 95 1HE HIS 95 -27.455 1.319 -3.036 763 HE2 HIS 95 2HE HIS 95 -29.389 1.377 -1.391 764 H HIS 96 H HIS 96 -29.920 5.339 -7.984 765 HA HIS 96 HA HIS 96 -32.382 6.491 -8.860 766 HB2 HIS 96 2HB HIS 96 -29.855 5.884 -10.436 767 HB3 HIS 96 1HB HIS 96 -31.154 6.964 -10.941 768 HD2 HIS 96 2HD HIS 96 -27.937 7.107 -8.843 769 HE1 HIS 96 1HE HIS 96 -30.088 10.632 -7.961 770 HE2 HIS 96 2HE HIS 96 -27.854 9.452 -7.695 771 H HIS 97 H HIS 97 -33.992 4.959 -9.022 772 HA HIS 97 HA HIS 97 -34.121 3.438 -11.445 773 HB2 HIS 97 2HB HIS 97 -32.685 1.919 -10.078 774 HB3 HIS 97 1HB HIS 97 -33.947 1.851 -8.850 775 HD2 HIS 97 2HD HIS 97 -35.924 -0.044 -9.370 776 HE1 HIS 97 1HE HIS 97 -34.855 -0.888 -13.367 777 HE2 HIS 97 2HE HIS 97 -36.396 -1.541 -11.458 778 H HIS 98 H HIS 98 -36.170 3.861 -11.988 779 HA HIS 98 HA HIS 98 -38.400 3.044 -10.400 780 HB2 HIS 98 2HB HIS 98 -39.390 5.305 -10.055 781 HB3 HIS 98 1HB HIS 98 -37.901 5.085 -9.139 782 HD2 HIS 98 2HD HIS 98 -39.331 7.492 -11.767 783 HE1 HIS 98 1HE HIS 98 -35.173 8.211 -11.634 784 HE2 HIS 98 2HE HIS 98 -37.394 9.076 -12.512 785 H HIS 99 H HIS 99 -36.961 4.517 -13.164 786 HA HIS 99 HA HIS 99 -39.013 3.530 -14.919 787 HB2 HIS 99 2HB HIS 99 -40.112 5.603 -14.079 788 HB3 HIS 99 1HB HIS 99 -38.741 6.549 -14.652 789 HD2 HIS 99 2HD HIS 99 -41.993 4.977 -16.049 790 HE1 HIS 99 1HE HIS 99 -39.797 6.394 -19.363 791 HE2 HIS 99 2HE HIS 99 -42.036 5.459 -18.614 792 H HIS 100 H HIS 100 -38.183 3.209 -16.930 793 HA HIS 100 HA HIS 100 -35.401 3.517 -17.386 794 HB2 HIS 100 2HB HIS 100 -36.832 1.766 -18.452 795 HB3 HIS 100 1HB HIS 100 -37.600 3.015 -19.430 796 HD2 HIS 100 2HD HIS 100 -34.220 1.040 -19.276 797 HE1 HIS 100 1HE HIS 100 -34.054 3.607 -22.624 798 HE2 HIS 100 2HE HIS 100 -32.876 1.711 -21.413 Start of MODEL 7 1 H1 LYS 1 1HT LYS 1 38.836 10.191 0.715 2 H2 LYS 1 2HT LYS 1 38.818 9.345 2.188 3 H3 LYS 1 3HT LYS 1 37.553 10.412 1.803 4 HA LYS 1 HA LYS 1 36.692 9.014 0.156 5 HB2 LYS 1 2HB LYS 1 38.939 8.447 -0.809 6 HB3 LYS 1 1HB LYS 1 39.194 7.310 0.514 7 HG2 LYS 1 2HG LYS 1 37.191 6.032 -0.186 8 HG3 LYS 1 1HG LYS 1 36.911 7.185 -1.491 9 HD2 LYS 1 2HD LYS 1 39.109 6.587 -2.471 10 HD3 LYS 1 1HD LYS 1 39.359 5.419 -1.172 11 HE2 LYS 1 2HE LYS 1 37.091 5.359 -3.189 12 HE3 LYS 1 1HE LYS 1 38.498 4.296 -3.190 13 HZ1 LYS 1 2HZ LYS 1 36.798 3.109 -2.121 14 HZ2 LYS 1 3HZ LYS 1 36.327 4.444 -1.182 15 HZ3 LYS 1 1HZ LYS 1 37.800 3.665 -0.866 16 H ILE 2 H ILE 2 35.293 8.923 1.986 17 HA ILE 2 HA ILE 2 35.368 6.339 3.424 18 HB ILE 2 HB ILE 2 34.963 7.344 5.560 19 HG12 ILE 2 2HG1 ILE 2 33.450 9.186 5.011 20 HG13 ILE 2 1HG1 ILE 2 34.820 9.849 5.879 21 HG21 ILE 2 1HG2 ILE 2 37.123 9.015 4.220 22 HG22 ILE 2 2HG2 ILE 2 37.340 7.361 4.798 23 HG23 ILE 2 3HG2 ILE 2 36.989 8.656 5.940 24 HD11 ILE 2 3HD1 ILE 2 34.167 10.084 2.940 25 HD12 ILE 2 1HD1 ILE 2 35.813 10.355 3.512 26 HD13 ILE 2 2HD1 ILE 2 34.493 11.358 4.108 27 H SER 3 H SER 3 33.226 6.049 4.609 28 HA SER 3 HA SER 3 30.909 7.443 3.706 29 HB2 SER 3 2HB SER 3 29.917 5.693 2.319 30 HB3 SER 3 1HB SER 3 31.443 6.223 1.614 31 HG SER 3 HG SER 3 32.431 4.417 2.510 32 H LEU 4 H LEU 4 28.921 6.411 4.480 33 HA LEU 4 HA LEU 4 29.234 5.413 7.142 34 HB2 LEU 4 2HB LEU 4 26.742 5.443 5.400 35 HB3 LEU 4 1HB LEU 4 26.790 5.324 7.159 36 HG LEU 4 HG LEU 4 27.763 7.693 5.518 37 HD11 LEU 4 1HD1 LEU 4 25.309 7.449 5.520 38 HD12 LEU 4 2HD1 LEU 4 25.807 8.862 6.450 39 HD13 LEU 4 3HD1 LEU 4 25.313 7.390 7.285 40 HD21 LEU 4 3HD2 LEU 4 27.799 7.127 8.510 41 HD22 LEU 4 1HD2 LEU 4 27.733 8.789 7.910 42 HD23 LEU 4 2HD2 LEU 4 29.089 7.760 7.487 43 H ARG 5 H ARG 5 28.734 3.399 7.974 44 HA ARG 5 HA ARG 5 29.570 1.165 6.456 45 HB2 ARG 5 2HB ARG 5 28.016 1.294 9.058 46 HB3 ARG 5 1HB ARG 5 28.826 -0.141 8.429 47 HG2 ARG 5 2HG ARG 5 30.998 0.997 8.540 48 HG3 ARG 5 1HG ARG 5 30.219 2.484 9.084 49 HD2 ARG 5 2HD ARG 5 31.148 1.290 11.010 50 HD3 ARG 5 1HD ARG 5 29.387 1.292 11.098 51 HE ARG 5 HE ARG 5 29.411 -1.019 10.837 52 HH11 ARG 5 1HH2 ARG 5 32.455 0.321 9.854 53 HH12 ARG 5 2HH2 ARG 5 33.222 -1.217 9.646 54 HH21 ARG 5 1HH1 ARG 5 30.414 -3.039 10.555 55 HH22 ARG 5 2HH1 ARG 5 32.067 -3.119 10.044 56 H LYS 6 H LYS 6 26.454 1.091 8.123 57 HA LYS 6 HA LYS 6 25.233 -0.362 5.911 58 HB2 LYS 6 2HB LYS 6 24.136 0.560 8.575 59 HB3 LYS 6 1HB LYS 6 23.300 -0.514 7.449 60 HG2 LYS 6 2HG LYS 6 25.236 -2.116 7.623 61 HG3 LYS 6 1HG LYS 6 25.933 -1.082 8.868 62 HD2 LYS 6 2HD LYS 6 23.191 -2.400 9.031 63 HD3 LYS 6 1HD LYS 6 24.647 -3.015 9.811 64 HE2 LYS 6 2HE LYS 6 23.149 -0.439 10.448 65 HE3 LYS 6 1HE LYS 6 23.478 -1.796 11.517 66 HZ1 LYS 6 3HZ LYS 6 25.258 0.347 10.644 67 HZ2 LYS 6 1HZ LYS 6 25.942 -1.185 10.887 68 HZ3 LYS 6 2HZ LYS 6 25.125 -0.412 12.160 69 H LEU 7 H LEU 7 23.620 0.379 4.613 70 HA LEU 7 HA LEU 7 22.997 3.295 4.664 71 HB2 LEU 7 2HB LEU 7 22.961 1.392 2.288 72 HB3 LEU 7 1HB LEU 7 22.814 3.152 2.252 73 HG LEU 7 HG LEU 7 25.274 1.588 3.132 74 HD11 LEU 7 1HD1 LEU 7 26.291 2.471 1.082 75 HD12 LEU 7 2HD1 LEU 7 24.780 3.275 0.664 76 HD13 LEU 7 3HD1 LEU 7 24.860 1.512 0.704 77 HD21 LEU 7 3HD2 LEU 7 25.326 3.621 4.393 78 HD22 LEU 7 1HD2 LEU 7 24.698 4.578 3.053 79 HD23 LEU 7 2HD2 LEU 7 26.348 3.949 3.001 80 H SER 8 H SER 8 20.923 3.891 4.069 81 HA SER 8 HA SER 8 18.787 1.894 3.931 82 HB2 SER 8 2HB SER 8 18.978 2.063 6.324 83 HB3 SER 8 1HB SER 8 19.147 3.815 6.244 84 HG SER 8 HG SER 8 16.896 2.629 5.102 85 H LYS 9 H LYS 9 16.789 2.797 3.390 86 HA LYS 9 HA LYS 9 16.574 5.614 2.717 87 HB2 LYS 9 2HB LYS 9 17.794 4.150 0.777 88 HB3 LYS 9 1HB LYS 9 16.135 3.741 0.371 89 HG2 LYS 9 2HG LYS 9 16.445 5.678 -0.956 90 HG3 LYS 9 1HG LYS 9 15.750 6.393 0.498 91 HD2 LYS 9 2HD LYS 9 18.086 6.849 1.326 92 HD3 LYS 9 1HD LYS 9 18.709 6.220 -0.195 93 HE2 LYS 9 2HE LYS 9 17.472 7.963 -1.426 94 HE3 LYS 9 1HE LYS 9 16.849 8.594 0.102 95 HZ1 LYS 9 3HZ LYS 9 18.747 9.866 -0.470 96 HZ2 LYS 9 1HZ LYS 9 19.674 8.479 -0.777 97 HZ3 LYS 9 2HZ LYS 9 19.202 8.850 0.813 98 H SER 10 H SER 10 14.461 6.115 1.805 99 HA SER 10 HA SER 10 12.317 4.202 2.595 100 HB2 SER 10 2HB SER 10 11.024 6.104 3.429 101 HB3 SER 10 1HB SER 10 12.554 5.994 4.294 102 HG SER 10 HG SER 10 13.264 7.752 3.281 103 H VAL 11 H VAL 11 10.710 4.001 1.156 104 HA VAL 11 HA VAL 11 10.593 5.871 -1.133 105 HB VAL 11 HB VAL 11 10.099 3.895 -2.611 106 HG11 VAL 11 1HG1 VAL 11 12.790 3.862 -1.202 107 HG12 VAL 11 2HG1 VAL 11 12.343 4.923 -2.539 108 HG13 VAL 11 3HG1 VAL 11 12.453 3.183 -2.794 109 HG21 VAL 11 3HG2 VAL 11 10.769 1.649 -1.774 110 HG22 VAL 11 1HG2 VAL 11 9.412 2.298 -0.852 111 HG23 VAL 11 2HG2 VAL 11 11.039 2.330 -0.171 112 HA PRO 12 HA PRO 12 6.247 5.837 -0.098 113 HB2 PRO 12 2HB PRO 12 5.146 6.965 -2.333 114 HB3 PRO 12 1HB PRO 12 6.183 7.906 -1.237 115 HG2 PRO 12 2HG PRO 12 6.923 6.558 -3.831 116 HG3 PRO 12 1HG PRO 12 7.304 8.207 -3.282 117 HD2 PRO 12 2HD PRO 12 9.110 6.152 -3.041 118 HD3 PRO 12 1HD PRO 12 9.027 7.483 -1.861 119 H VAL 13 H VAL 13 4.504 4.508 -0.316 120 HA VAL 13 HA VAL 13 4.683 2.254 -2.228 121 HB VAL 13 HB VAL 13 3.142 1.119 -0.762 122 HG11 VAL 13 1HG1 VAL 13 5.514 1.240 -0.033 123 HG12 VAL 13 2HG1 VAL 13 4.412 1.100 1.334 124 HG13 VAL 13 3HG1 VAL 13 5.128 2.659 0.939 125 HG21 VAL 13 3HG2 VAL 13 1.511 2.791 -0.162 126 HG22 VAL 13 1HG2 VAL 13 2.734 3.849 0.529 127 HG23 VAL 13 2HG2 VAL 13 2.285 2.360 1.360 128 H LYS 14 H LYS 14 3.025 1.787 -3.648 129 HA LYS 14 HA LYS 14 0.865 3.834 -4.005 130 HB2 LYS 14 2HB LYS 14 2.416 2.271 -6.097 131 HB3 LYS 14 1HB LYS 14 1.041 3.329 -6.434 132 HG2 LYS 14 2HG LYS 14 2.278 5.241 -5.461 133 HG3 LYS 14 1HG LYS 14 3.656 4.183 -5.146 134 HD2 LYS 14 2HD LYS 14 3.868 3.723 -7.559 135 HD3 LYS 14 1HD LYS 14 2.484 4.768 -7.885 136 HE2 LYS 14 2HE LYS 14 3.702 6.689 -6.925 137 HE3 LYS 14 1HE LYS 14 5.090 5.648 -6.601 138 HZ1 LYS 14 3HZ LYS 14 4.655 5.137 -9.176 139 HZ2 LYS 14 1HZ LYS 14 5.723 6.333 -8.623 140 HZ3 LYS 14 2HZ LYS 14 4.151 6.758 -9.104 141 H LEU 15 H LEU 15 -1.159 3.067 -4.276 142 HA LEU 15 HA LEU 15 -1.583 0.123 -4.179 143 HB2 LEU 15 2HB LEU 15 -3.427 2.339 -3.211 144 HB3 LEU 15 1HB LEU 15 -3.667 0.601 -3.036 145 HG LEU 15 HG LEU 15 -1.148 0.890 -1.865 146 HD11 LEU 15 1HD1 LEU 15 -2.700 3.371 -1.070 147 HD12 LEU 15 2HD1 LEU 15 -1.268 3.358 -2.100 148 HD13 LEU 15 3HD1 LEU 15 -1.148 2.837 -0.420 149 HD21 LEU 15 3HD2 LEU 15 -3.833 1.157 -0.471 150 HD22 LEU 15 1HD2 LEU 15 -2.312 0.740 0.322 151 HD23 LEU 15 2HD2 LEU 15 -3.013 -0.353 -0.873 152 H GLU 16 H GLU 16 -2.802 -0.781 -5.698 153 HA GLU 16 HA GLU 16 -4.172 0.951 -7.720 154 HB2 GLU 16 2HB GLU 16 -2.709 -1.677 -8.131 155 HB3 GLU 16 1HB GLU 16 -3.588 -0.779 -9.371 156 HG2 GLU 16 2HG GLU 16 -2.075 1.160 -9.027 157 HG3 GLU 16 1HG GLU 16 -1.189 0.240 -7.813 158 H LEU 17 H LEU 17 -6.278 0.692 -7.591 159 HA LEU 17 HA LEU 17 -7.550 -1.461 -6.175 160 HB2 LEU 17 2HB LEU 17 -8.791 0.563 -8.086 161 HB3 LEU 17 1HB LEU 17 -9.610 -0.339 -6.809 162 HG LEU 17 HG LEU 17 -7.442 1.757 -6.401 163 HD11 LEU 17 1HD1 LEU 17 -10.420 1.836 -5.831 164 HD12 LEU 17 2HD1 LEU 17 -9.593 2.702 -7.127 165 HD13 LEU 17 3HD1 LEU 17 -9.265 3.109 -5.443 166 HD21 LEU 17 3HD2 LEU 17 -7.208 0.248 -4.566 167 HD22 LEU 17 1HD2 LEU 17 -8.946 -0.015 -4.433 168 HD23 LEU 17 2HD2 LEU 17 -8.237 1.522 -3.933 169 H THR 18 H THR 18 -8.083 -3.384 -6.950 170 HA THR 18 HA THR 18 -8.223 -3.849 -9.898 171 HB THR 18 HB THR 18 -7.433 -6.119 -9.432 172 HG1 THR 18 1HG THR 18 -7.889 -6.714 -7.466 173 HG21 THR 18 3HG2 THR 18 -5.128 -5.564 -8.764 174 HG22 THR 18 1HG2 THR 18 -5.675 -4.011 -8.136 175 HG23 THR 18 2HG2 THR 18 -5.762 -4.341 -9.866 176 H GLY 19 H GLY 19 -10.083 -4.553 -10.605 177 HA2 GLY 19 2HA GLY 19 -11.931 -6.138 -10.481 178 HA3 GLY 19 1HA GLY 19 -12.080 -5.807 -8.759 179 H ASP 20 H ASP 20 -14.207 -5.636 -10.493 180 HA ASP 20 HA ASP 20 -14.675 -2.824 -11.177 181 HB2 ASP 20 2HB ASP 20 -15.576 -4.670 -12.589 182 HB3 ASP 20 1HB ASP 20 -16.597 -5.176 -11.248 183 H LYS 21 H LYS 21 -16.095 -1.492 -10.134 184 HA LYS 21 HA LYS 21 -16.351 -1.747 -7.319 185 HB2 LYS 21 2HB LYS 21 -17.710 0.295 -7.479 186 HB3 LYS 21 1HB LYS 21 -16.231 0.433 -8.435 187 HG2 LYS 21 2HG LYS 21 -17.617 -0.299 -10.474 188 HG3 LYS 21 1HG LYS 21 -19.053 -0.097 -9.467 189 HD2 LYS 21 2HD LYS 21 -17.018 2.069 -10.107 190 HD3 LYS 21 1HD LYS 21 -18.617 1.918 -10.828 191 HE2 LYS 21 2HE LYS 21 -19.561 2.084 -8.431 192 HE3 LYS 21 1HE LYS 21 -17.944 2.611 -7.949 193 HZ1 LYS 21 3HZ LYS 21 -18.060 4.457 -9.363 194 HZ2 LYS 21 1HZ LYS 21 -19.552 4.412 -8.558 195 HZ3 LYS 21 2HZ LYS 21 -19.441 3.875 -10.166 196 H ALA 22 H ALA 22 -18.010 -2.448 -6.069 197 HA ALA 22 HA ALA 22 -19.945 -4.227 -7.159 198 HB1 ALA 22 1HB ALA 22 -19.040 -4.400 -4.858 199 HB2 ALA 22 2HB ALA 22 -20.802 -4.365 -4.881 200 HB3 ALA 22 3HB ALA 22 -19.898 -2.924 -4.430 201 H SER 23 H SER 23 -22.268 -4.026 -6.965 202 HA SER 23 HA SER 23 -23.260 -1.596 -8.120 203 HB2 SER 23 2HB SER 23 -24.208 -3.800 -8.671 204 HB3 SER 23 1HB SER 23 -24.777 -3.975 -7.012 205 HG SER 23 HG SER 23 -25.828 -2.563 -9.084 206 H ASN 24 H ASN 24 -23.209 -2.924 -4.863 207 HA ASN 24 HA ASN 24 -25.138 -1.003 -3.805 208 HB2 ASN 24 2HB ASN 24 -24.648 -2.067 -1.643 209 HB3 ASN 24 1HB ASN 24 -25.011 -3.273 -2.872 210 HD21 ASN 24 1HD2 ASN 24 -22.725 -2.378 -0.502 211 HD22 ASN 24 2HD2 ASN 24 -21.463 -3.394 -1.000 212 H VAL 25 H VAL 25 -21.840 -0.968 -4.554 213 HA VAL 25 HA VAL 25 -21.216 1.181 -2.569 214 HB VAL 25 HB VAL 25 -19.361 -0.540 -4.258 215 HG11 VAL 25 1HG1 VAL 25 -18.359 1.665 -3.813 216 HG12 VAL 25 2HG1 VAL 25 -17.588 0.447 -2.816 217 HG13 VAL 25 3HG1 VAL 25 -18.782 1.529 -2.105 218 HG21 VAL 25 3HG2 VAL 25 -18.787 -1.599 -2.105 219 HG22 VAL 25 1HG2 VAL 25 -20.509 -1.777 -2.425 220 HG23 VAL 25 2HG2 VAL 25 -19.955 -0.571 -1.277 221 H SER 26 H SER 26 -20.998 3.187 -3.284 222 HA SER 26 HA SER 26 -21.278 3.830 -6.132 223 HB2 SER 26 2HB SER 26 -21.277 5.453 -3.582 224 HB3 SER 26 1HB SER 26 -21.311 6.208 -5.178 225 HG SER 26 HG SER 26 -23.176 4.897 -5.596 226 H SER 27 H SER 27 -18.937 4.236 -3.486 227 HA SER 27 HA SER 27 -16.709 4.329 -5.356 228 HB2 SER 27 2HB SER 27 -17.466 6.675 -5.394 229 HB3 SER 27 1HB SER 27 -17.359 6.744 -3.638 230 HG SER 27 HG SER 27 -15.433 7.080 -5.460 231 H ILE 28 H ILE 28 -14.662 4.348 -4.267 232 HA ILE 28 HA ILE 28 -14.716 3.532 -1.397 233 HB ILE 28 HB ILE 28 -13.120 2.163 -3.605 234 HG12 ILE 28 2HG1 ILE 28 -15.457 1.108 -1.954 235 HG13 ILE 28 1HG1 ILE 28 -15.608 1.664 -3.619 236 HG21 ILE 28 1HG2 ILE 28 -12.545 0.548 -1.757 237 HG22 ILE 28 2HG2 ILE 28 -13.383 1.594 -0.618 238 HG23 ILE 28 3HG2 ILE 28 -11.931 2.164 -1.432 239 HD11 ILE 28 3HD1 ILE 28 -13.944 -0.668 -2.649 240 HD12 ILE 28 1HD1 ILE 28 -13.922 -0.050 -4.301 241 HD13 ILE 28 2HD1 ILE 28 -15.401 -0.741 -3.637 242 H SER 29 H SER 29 -13.018 4.181 -0.216 243 HA SER 29 HA SER 29 -10.825 5.751 -1.480 244 HB2 SER 29 2HB SER 29 -12.342 6.486 1.046 245 HB3 SER 29 1HB SER 29 -10.985 7.368 0.346 246 HG SER 29 HG SER 29 -12.236 7.926 -1.368 247 H TYR 30 H TYR 30 -8.913 5.857 -0.193 248 HA TYR 30 HA TYR 30 -8.628 3.885 1.992 249 HB2 TYR 30 2HB TYR 30 -6.611 2.959 0.906 250 HB3 TYR 30 1HB TYR 30 -8.049 2.687 -0.074 251 HD1 TYR 30 1HD TYR 30 -4.938 4.692 0.233 252 HD2 TYR 30 2HD TYR 30 -8.373 3.847 -2.219 253 HE1 TYR 30 1HE TYR 30 -3.898 5.913 -1.657 254 HE2 TYR 30 2HE TYR 30 -7.323 5.066 -4.102 255 HH TYR 30 HH TYR 30 -4.481 5.605 -4.583 256 H SER 31 H SER 31 -6.859 4.265 3.314 257 HA SER 31 HA SER 31 -5.145 6.611 2.887 258 HB2 SER 31 2HB SER 31 -7.145 7.581 3.939 259 HB3 SER 31 1HB SER 31 -7.053 6.393 5.236 260 HG SER 31 HG SER 31 -5.264 8.490 4.600 261 H PHE 32 H PHE 32 -3.498 6.772 4.559 262 HA PHE 32 HA PHE 32 -2.993 4.338 6.158 263 HB2 PHE 32 2HB PHE 32 -0.614 4.322 5.233 264 HB3 PHE 32 1HB PHE 32 -1.857 3.795 4.098 265 HD1 PHE 32 2HD PHE 32 0.222 6.746 5.110 266 HD2 PHE 32 1HD PHE 32 -2.251 5.024 2.037 267 HE1 PHE 32 2HE PHE 32 0.902 8.544 3.550 268 HE2 PHE 32 1HE PHE 32 -1.572 6.832 0.489 269 HZ PHE 32 HZ PHE 32 0.004 8.590 1.242 270 H ASP 33 H ASP 33 -1.669 4.667 7.902 271 HA ASP 33 HA ASP 33 -1.577 7.339 8.963 272 HB2 ASP 33 2HB ASP 33 -0.346 4.748 9.952 273 HB3 ASP 33 1HB ASP 33 -0.438 6.243 10.880 274 H ARG 34 H ARG 34 0.742 5.160 7.421 275 HA ARG 34 HA ARG 34 2.759 7.361 7.321 276 HB2 ARG 34 2HB ARG 34 3.308 4.453 8.002 277 HB3 ARG 34 1HB ARG 34 4.535 5.697 7.748 278 HG2 ARG 34 2HG ARG 34 3.616 6.994 9.644 279 HG3 ARG 34 1HG ARG 34 2.390 5.752 9.898 280 HD2 ARG 34 2HD ARG 34 4.250 5.426 11.456 281 HD3 ARG 34 1HD ARG 34 4.171 4.084 10.314 282 HE ARG 34 HE ARG 34 5.908 6.101 9.315 283 HH11 ARG 34 1HH2 ARG 34 5.668 3.670 11.776 284 HH12 ARG 34 2HH2 ARG 34 7.376 3.408 11.874 285 HH21 ARG 34 1HH1 ARG 34 8.146 5.753 9.438 286 HH22 ARG 34 2HH1 ARG 34 8.780 4.586 10.551 287 H GLY 35 H GLY 35 1.979 4.089 6.126 288 HA2 GLY 35 2HA GLY 35 2.136 3.183 4.015 289 HA3 GLY 35 1HA GLY 35 1.810 4.811 3.433 290 H HIS 36 H HIS 36 4.627 4.110 5.410 291 HA HIS 36 HA HIS 36 6.430 4.080 3.055 292 HB2 HIS 36 2HB HIS 36 6.731 5.965 5.430 293 HB3 HIS 36 1HB HIS 36 7.846 5.805 4.068 294 HD2 HIS 36 2HD HIS 36 5.452 8.364 4.924 295 HE1 HIS 36 1HE HIS 36 4.578 7.696 0.849 296 HE2 HIS 36 2HE HIS 36 4.260 9.297 2.796 297 H VAL 37 H VAL 37 8.138 2.776 3.359 298 HA VAL 37 HA VAL 37 8.731 1.680 6.071 299 HB VAL 37 HB VAL 37 9.100 -0.528 4.970 300 HG11 VAL 37 1HG1 VAL 37 6.941 -0.021 6.057 301 HG12 VAL 37 2HG1 VAL 37 6.705 -1.066 4.659 302 HG13 VAL 37 3HG1 VAL 37 6.330 0.651 4.544 303 HG21 VAL 37 3HG2 VAL 37 7.863 0.840 2.542 304 HG22 VAL 37 1HG2 VAL 37 8.207 -0.883 2.674 305 HG23 VAL 37 2HG2 VAL 37 9.529 0.278 2.657 306 H THR 38 H THR 38 10.884 0.790 6.227 307 HA THR 38 HA THR 38 12.834 2.331 4.609 308 HB THR 38 HB THR 38 13.251 0.900 7.271 309 HG1 THR 38 1HG THR 38 11.705 2.747 7.127 310 HG21 THR 38 3HG2 THR 38 15.318 1.317 5.991 311 HG22 THR 38 1HG2 THR 38 15.235 2.387 7.389 312 HG23 THR 38 2HG2 THR 38 14.855 3.007 5.785 313 H ILE 39 H ILE 39 14.375 1.306 3.472 314 HA ILE 39 HA ILE 39 14.438 -1.675 3.422 315 HB ILE 39 HB ILE 39 14.994 -1.457 1.016 316 HG12 ILE 39 2HG1 ILE 39 14.390 1.504 1.414 317 HG13 ILE 39 1HG1 ILE 39 15.994 0.852 1.126 318 HG21 ILE 39 1HG2 ILE 39 12.735 -0.895 0.257 319 HG22 ILE 39 2HG2 ILE 39 12.435 0.036 1.725 320 HG23 ILE 39 3HG2 ILE 39 12.613 -1.711 1.813 321 HD11 ILE 39 3HD1 ILE 39 13.634 0.847 -0.761 322 HD12 ILE 39 1HD1 ILE 39 15.089 -0.112 -1.048 323 HD13 ILE 39 2HD1 ILE 39 15.191 1.649 -0.974 324 H VAL 40 H VAL 40 16.408 -2.639 3.207 325 HA VAL 40 HA VAL 40 18.845 -0.933 3.468 326 HB VAL 40 HB VAL 40 18.249 -3.474 5.033 327 HG11 VAL 40 1HG1 VAL 40 20.650 -3.224 4.578 328 HG12 VAL 40 2HG1 VAL 40 20.344 -2.827 6.264 329 HG13 VAL 40 3HG1 VAL 40 20.598 -1.538 5.091 330 HG21 VAL 40 3HG2 VAL 40 16.891 -1.581 5.826 331 HG22 VAL 40 1HG2 VAL 40 18.328 -0.559 5.907 332 HG23 VAL 40 2HG2 VAL 40 18.162 -1.941 6.992 333 H GLY 41 H GLY 41 20.475 -1.511 2.208 334 HA2 GLY 41 2HA GLY 41 21.399 -3.946 1.414 335 HA3 GLY 41 1HA GLY 41 20.143 -3.611 0.230 336 H SER 42 H SER 42 21.797 -3.576 -1.371 337 HA SER 42 HA SER 42 23.901 -1.586 -1.330 338 HB2 SER 42 2HB SER 42 22.834 -3.310 -3.581 339 HB3 SER 42 1HB SER 42 24.302 -2.338 -3.646 340 HG SER 42 HG SER 42 25.048 -3.569 -1.835 341 H GLN 43 H GLN 43 24.016 0.268 -2.615 342 HA GLN 43 HA GLN 43 21.654 1.802 -2.855 343 HB2 GLN 43 2HB GLN 43 24.373 2.192 -4.149 344 HB3 GLN 43 1HB GLN 43 23.117 3.427 -4.056 345 HG2 GLN 43 2HG GLN 43 24.386 2.076 -1.638 346 HG3 GLN 43 1HG GLN 43 24.853 3.657 -2.255 347 HE21 GLN 43 1HE2 GLN 43 22.852 2.172 0.017 348 HE22 GLN 43 2HE2 GLN 43 21.739 3.435 0.240 349 H GLU 44 H GLU 44 23.340 -0.294 -5.097 350 HA GLU 44 HA GLU 44 22.197 0.596 -7.507 351 HB2 GLU 44 2HB GLU 44 23.072 -2.192 -6.683 352 HB3 GLU 44 1HB GLU 44 22.742 -1.692 -8.343 353 HG2 GLU 44 2HG GLU 44 24.523 0.010 -8.191 354 HG3 GLU 44 1HG GLU 44 24.850 -0.472 -6.528 355 H ALA 45 H ALA 45 21.126 -1.947 -5.254 356 HA ALA 45 HA ALA 45 18.811 -2.706 -6.695 357 HB1 ALA 45 1HB ALA 45 18.100 -3.765 -4.602 358 HB2 ALA 45 2HB ALA 45 19.329 -2.866 -3.710 359 HB3 ALA 45 3HB ALA 45 19.807 -4.075 -4.900 360 H MET 46 H MET 46 19.377 -0.255 -4.218 361 HA MET 46 HA MET 46 16.653 0.473 -3.801 362 HB2 MET 46 2HB MET 46 19.232 2.026 -3.379 363 HB3 MET 46 1HB MET 46 17.648 2.577 -2.831 364 HG2 MET 46 2HG MET 46 17.415 0.534 -1.460 365 HG3 MET 46 1HG MET 46 19.002 -0.005 -1.995 366 HE1 MET 46 3HE MET 46 19.892 -0.312 0.270 367 HE2 MET 46 1HE MET 46 18.364 0.157 1.024 368 HE3 MET 46 2HE MET 46 19.879 0.860 1.584 369 H ASP 47 H ASP 47 19.162 1.640 -6.034 370 HA ASP 47 HA ASP 47 17.773 3.868 -7.047 371 HB2 ASP 47 2HB ASP 47 19.816 2.071 -8.390 372 HB3 ASP 47 1HB ASP 47 19.325 3.656 -8.981 373 H LYS 48 H LYS 48 17.533 0.426 -7.776 374 HA LYS 48 HA LYS 48 16.038 0.749 -10.231 375 HB2 LYS 48 2HB LYS 48 16.496 -1.611 -8.374 376 HB3 LYS 48 1HB LYS 48 15.639 -1.722 -9.914 377 HG2 LYS 48 2HG LYS 48 17.637 -0.904 -11.100 378 HG3 LYS 48 1HG LYS 48 18.500 -0.767 -9.573 379 HD2 LYS 48 2HD LYS 48 18.240 -3.203 -9.211 380 HD3 LYS 48 1HD LYS 48 17.393 -3.332 -10.752 381 HE2 LYS 48 2HE LYS 48 19.397 -2.497 -11.929 382 HE3 LYS 48 1HE LYS 48 20.246 -2.361 -10.388 383 HZ1 LYS 48 3HZ LYS 48 20.911 -4.422 -10.991 384 HZ2 LYS 48 1HZ LYS 48 19.523 -4.740 -11.911 385 HZ3 LYS 48 2HZ LYS 48 19.461 -4.858 -10.219 386 H ILE 49 H ILE 49 15.298 0.251 -6.815 387 HA ILE 49 HA ILE 49 12.410 0.032 -7.334 388 HB ILE 49 HB ILE 49 13.913 0.118 -4.678 389 HG12 ILE 49 2HG1 ILE 49 12.862 -2.317 -6.204 390 HG13 ILE 49 1HG1 ILE 49 14.551 -1.824 -6.207 391 HG21 ILE 49 1HG2 ILE 49 11.505 0.685 -4.480 392 HG22 ILE 49 2HG2 ILE 49 11.800 -0.911 -3.807 393 HG23 ILE 49 3HG2 ILE 49 11.080 -0.751 -5.407 394 HD11 ILE 49 3HD1 ILE 49 12.945 -2.611 -3.757 395 HD12 ILE 49 1HD1 ILE 49 14.617 -2.049 -3.738 396 HD13 ILE 49 2HD1 ILE 49 14.206 -3.569 -4.533 397 H ASP 50 H ASP 50 11.255 1.823 -7.603 398 HA ASP 50 HA ASP 50 12.080 4.392 -6.329 399 HB2 ASP 50 2HB ASP 50 10.280 3.879 -8.716 400 HB3 ASP 50 1HB ASP 50 10.738 5.459 -8.083 401 H SER 51 H SER 51 9.654 1.925 -6.457 402 HA SER 51 HA SER 51 8.271 2.973 -4.176 403 HB2 SER 51 2HB SER 51 6.118 3.444 -5.244 404 HB3 SER 51 1HB SER 51 7.358 4.494 -5.920 405 HG SER 51 HG SER 51 7.161 2.104 -7.217 406 H ILE 52 H ILE 52 6.531 1.558 -3.506 407 HA ILE 52 HA ILE 52 6.764 -1.207 -4.606 408 HB ILE 52 HB ILE 52 5.885 -0.313 -1.840 409 HG12 ILE 52 2HG1 ILE 52 8.488 -1.619 -2.752 410 HG13 ILE 52 1HG1 ILE 52 8.329 0.088 -2.350 411 HG21 ILE 52 1HG2 ILE 52 4.858 -2.458 -2.557 412 HG22 ILE 52 2HG2 ILE 52 6.073 -2.754 -1.326 413 HG23 ILE 52 3HG2 ILE 52 6.445 -3.070 -3.016 414 HD11 ILE 52 3HD1 ILE 52 9.214 -1.113 -0.441 415 HD12 ILE 52 1HD1 ILE 52 7.852 -2.227 -0.472 416 HD13 ILE 52 2HD1 ILE 52 7.591 -0.530 -0.072 417 H THR 53 H THR 53 5.019 -2.007 -5.542 418 HA THR 53 HA THR 53 2.495 -0.507 -5.552 419 HB THR 53 HB THR 53 3.184 -3.061 -7.065 420 HG1 THR 53 1HG THR 53 3.889 -0.424 -7.418 421 HG21 THR 53 3HG2 THR 53 1.372 -2.287 -8.566 422 HG22 THR 53 1HG2 THR 53 1.101 -0.892 -7.527 423 HG23 THR 53 2HG2 THR 53 0.765 -2.515 -6.927 424 H VAL 54 H VAL 54 0.694 -1.144 -4.377 425 HA VAL 54 HA VAL 54 0.710 -3.865 -3.177 426 HB VAL 54 HB VAL 54 -0.253 -1.340 -1.811 427 HG11 VAL 54 1HG1 VAL 54 -0.319 -2.821 0.176 428 HG12 VAL 54 2HG1 VAL 54 0.197 -4.181 -0.817 429 HG13 VAL 54 3HG1 VAL 54 -1.370 -3.428 -1.102 430 HG21 VAL 54 3HG2 VAL 54 2.200 -1.288 -2.083 431 HG22 VAL 54 1HG2 VAL 54 2.310 -2.924 -1.446 432 HG23 VAL 54 2HG2 VAL 54 1.782 -1.601 -0.408 433 HA PRO 55 HA PRO 55 -3.288 -3.110 -5.400 434 HB2 PRO 55 2HB PRO 55 -3.528 -5.495 -6.697 435 HB3 PRO 55 1HB PRO 55 -2.421 -4.232 -7.281 436 HG2 PRO 55 2HG PRO 55 -1.787 -6.721 -5.725 437 HG3 PRO 55 1HG PRO 55 -0.878 -5.966 -7.049 438 HD2 PRO 55 2HD PRO 55 -0.283 -5.649 -4.318 439 HD3 PRO 55 1HD PRO 55 0.271 -4.541 -5.592 440 H VAL 56 H VAL 56 -5.347 -3.727 -4.829 441 HA VAL 56 HA VAL 56 -5.756 -6.017 -3.002 442 HB VAL 56 HB VAL 56 -5.310 -4.023 -1.577 443 HG11 VAL 56 1HG1 VAL 56 -7.855 -2.826 -2.753 444 HG12 VAL 56 2HG1 VAL 56 -6.237 -2.339 -3.258 445 HG13 VAL 56 3HG1 VAL 56 -6.752 -2.082 -1.593 446 HG21 VAL 56 3HG2 VAL 56 -6.889 -5.834 -0.843 447 HG22 VAL 56 1HG2 VAL 56 -8.233 -4.895 -1.497 448 HG23 VAL 56 2HG2 VAL 56 -7.290 -4.267 -0.150 449 H ASP 57 H ASP 57 -7.625 -7.014 -3.317 450 HA ASP 57 HA ASP 57 -9.293 -6.294 -5.565 451 HB2 ASP 57 2HB ASP 57 -9.667 -8.445 -3.457 452 HB3 ASP 57 1HB ASP 57 -10.560 -8.315 -4.974 453 H ILE 58 H ILE 58 -11.117 -5.101 -5.518 454 HA ILE 58 HA ILE 58 -12.230 -4.256 -2.903 455 HB ILE 58 HB ILE 58 -13.235 -2.405 -4.223 456 HG12 ILE 58 2HG1 ILE 58 -11.506 -3.401 -6.536 457 HG13 ILE 58 1HG1 ILE 58 -13.237 -3.692 -6.451 458 HG21 ILE 58 1HG2 ILE 58 -11.114 -1.182 -4.589 459 HG22 ILE 58 2HG2 ILE 58 -10.230 -2.706 -4.527 460 HG23 ILE 58 3HG2 ILE 58 -11.061 -2.113 -3.090 461 HD11 ILE 58 3HD1 ILE 58 -12.733 -1.718 -7.827 462 HD12 ILE 58 1HD1 ILE 58 -11.949 -0.953 -6.448 463 HD13 ILE 58 2HD1 ILE 58 -13.679 -1.288 -6.405 464 H SER 59 H SER 59 -12.806 -6.314 -5.533 465 HA SER 59 HA SER 59 -15.586 -6.093 -5.888 466 HB2 SER 59 2HB SER 59 -15.448 -8.394 -6.780 467 HB3 SER 59 1HB SER 59 -14.143 -7.386 -7.396 468 HG SER 59 HG SER 59 -13.667 -8.728 -5.013 469 H GLN 60 H GLN 60 -13.693 -7.960 -3.539 470 HA GLN 60 HA GLN 60 -16.066 -9.179 -2.331 471 HB2 GLN 60 2HB GLN 60 -13.127 -9.243 -1.564 472 HB3 GLN 60 1HB GLN 60 -14.398 -10.203 -0.801 473 HG2 GLN 60 2HG GLN 60 -14.896 -11.270 -2.978 474 HG3 GLN 60 1HG GLN 60 -13.614 -10.323 -3.732 475 HE21 GLN 60 1HE2 GLN 60 -11.991 -11.842 -4.153 476 HE22 GLN 60 2HE2 GLN 60 -11.348 -12.901 -2.993 477 H VAL 61 H VAL 61 -14.568 -6.187 -2.154 478 HA VAL 61 HA VAL 61 -15.038 -5.780 0.739 479 HB VAL 61 HB VAL 61 -13.945 -3.852 -1.341 480 HG11 VAL 61 1HG1 VAL 61 -14.836 -2.694 0.618 481 HG12 VAL 61 2HG1 VAL 61 -13.083 -2.649 0.678 482 HG13 VAL 61 3HG1 VAL 61 -13.969 -3.783 1.698 483 HG21 VAL 61 3HG2 VAL 61 -11.732 -4.418 -0.401 484 HG22 VAL 61 1HG2 VAL 61 -12.498 -5.854 -1.080 485 HG23 VAL 61 2HG2 VAL 61 -12.482 -5.605 0.665 486 H THR 62 H THR 62 -17.013 -5.194 1.341 487 HA THR 62 HA THR 62 -18.588 -3.281 -0.314 488 HB THR 62 HB THR 62 -20.611 -4.563 0.178 489 HG1 THR 62 1HG THR 62 -20.567 -5.959 1.717 490 HG21 THR 62 3HG2 THR 62 -20.163 -6.529 -1.220 491 HG22 THR 62 1HG2 THR 62 -18.431 -6.349 -0.944 492 HG23 THR 62 2HG2 THR 62 -19.309 -5.128 -1.866 493 H GLU 63 H GLU 63 -17.019 -3.800 2.520 494 HA GLU 63 HA GLU 63 -18.676 -1.815 3.950 495 HB2 GLU 63 2HB GLU 63 -17.914 -4.510 5.144 496 HB3 GLU 63 1HB GLU 63 -18.643 -3.170 6.029 497 HG2 GLU 63 2HG GLU 63 -20.615 -3.276 4.470 498 HG3 GLU 63 1HG GLU 63 -19.902 -4.702 3.726 499 H ASP 64 H ASP 64 -17.560 -0.806 5.686 500 HA ASP 64 HA ASP 64 -14.830 -0.257 5.150 501 HB2 ASP 64 2HB ASP 64 -16.372 1.339 6.265 502 HB3 ASP 64 1HB ASP 64 -16.404 0.301 7.688 503 H THR 65 H THR 65 -13.003 -1.044 5.987 504 HA THR 65 HA THR 65 -12.820 -2.634 8.377 505 HB THR 65 HB THR 65 -13.812 -4.360 6.966 506 HG1 THR 65 1HG THR 65 -11.477 -5.494 6.718 507 HG21 THR 65 3HG2 THR 65 -11.526 -3.835 5.033 508 HG22 THR 65 1HG2 THR 65 -13.205 -3.372 4.763 509 HG23 THR 65 2HG2 THR 65 -12.766 -5.075 4.868 510 H SER 66 H SER 66 -10.570 -3.788 8.360 511 HA SER 66 HA SER 66 -8.520 -2.253 6.885 512 HB2 SER 66 2HB SER 66 -8.827 -1.000 8.974 513 HB3 SER 66 1HB SER 66 -8.618 -2.479 9.909 514 HG SER 66 HG SER 66 -6.751 -1.058 8.344 515 H LYS 67 H LYS 67 -6.726 -3.420 6.469 516 HA LYS 67 HA LYS 67 -6.379 -6.096 7.735 517 HB2 LYS 67 2HB LYS 67 -6.343 -5.574 4.736 518 HB3 LYS 67 1HB LYS 67 -6.048 -7.118 5.538 519 HG2 LYS 67 2HG LYS 67 -8.377 -6.977 6.528 520 HG3 LYS 67 1HG LYS 67 -8.634 -5.524 5.564 521 HD2 LYS 67 2HD LYS 67 -9.558 -7.133 4.118 522 HD3 LYS 67 1HD LYS 67 -7.903 -7.097 3.516 523 HE2 LYS 67 2HE LYS 67 -8.635 -9.410 3.803 524 HE3 LYS 67 1HE LYS 67 -7.391 -9.061 5.001 525 HZ1 LYS 67 3HZ LYS 67 -10.215 -8.616 5.666 526 HZ2 LYS 67 1HZ LYS 67 -8.917 -8.977 6.694 527 HZ3 LYS 67 2HZ LYS 67 -9.589 -10.195 5.717 528 H THR 68 H THR 68 -4.295 -6.763 7.915 529 HA THR 68 HA THR 68 -2.222 -4.734 7.519 530 HB THR 68 HB THR 68 -1.947 -7.569 8.605 531 HG1 THR 68 1HG THR 68 -2.772 -5.143 9.737 532 HG21 THR 68 3HG2 THR 68 0.058 -6.612 9.707 533 HG22 THR 68 1HG2 THR 68 -0.234 -5.072 8.900 534 HG23 THR 68 2HG2 THR 68 0.185 -6.500 7.953 535 H LEU 69 H LEU 69 -0.784 -4.728 5.897 536 HA LEU 69 HA LEU 69 -0.675 -7.020 3.984 537 HB2 LEU 69 2HB LEU 69 -0.284 -4.061 3.396 538 HB3 LEU 69 1HB LEU 69 -0.323 -5.379 2.220 539 HG LEU 69 HG LEU 69 -2.645 -4.533 3.999 540 HD11 LEU 69 1HD1 LEU 69 -2.195 -4.162 1.032 541 HD12 LEU 69 2HD1 LEU 69 -2.131 -2.886 2.247 542 HD13 LEU 69 3HD1 LEU 69 -3.652 -3.712 1.905 543 HD21 LEU 69 3HD2 LEU 69 -3.935 -6.063 2.303 544 HD22 LEU 69 1HD2 LEU 69 -3.008 -6.850 3.573 545 HD23 LEU 69 2HD2 LEU 69 -2.355 -6.758 1.938 546 H GLU 70 H GLU 70 1.225 -7.894 3.693 547 HA GLU 70 HA GLU 70 3.641 -6.706 4.916 548 HB2 GLU 70 2HB GLU 70 4.584 -9.002 4.584 549 HB3 GLU 70 1HB GLU 70 3.144 -8.991 5.599 550 HG2 GLU 70 2HG GLU 70 1.765 -9.667 3.653 551 HG3 GLU 70 1HG GLU 70 3.204 -9.698 2.643 552 H LEU 71 H LEU 71 5.327 -6.083 3.720 553 HA LEU 71 HA LEU 71 5.156 -6.256 0.742 554 HB2 LEU 71 2HB LEU 71 6.647 -4.195 2.415 555 HB3 LEU 71 1HB LEU 71 6.322 -4.144 0.681 556 HG LEU 71 HG LEU 71 4.243 -3.992 2.900 557 HD11 LEU 71 1HD1 LEU 71 5.601 -1.955 2.659 558 HD12 LEU 71 2HD1 LEU 71 3.944 -1.676 2.131 559 HD13 LEU 71 3HD1 LEU 71 5.224 -1.899 0.937 560 HD21 LEU 71 3HD2 LEU 71 2.714 -3.372 0.914 561 HD22 LEU 71 1HD2 LEU 71 3.140 -5.066 1.072 562 HD23 LEU 71 2HD2 LEU 71 3.959 -4.067 -0.125 563 H LYS 72 H LYS 72 6.795 -7.102 -0.336 564 HA LYS 72 HA LYS 72 9.339 -7.782 1.072 565 HB2 LYS 72 2HB LYS 72 7.693 -9.569 -0.752 566 HB3 LYS 72 1HB LYS 72 9.303 -9.952 -0.135 567 HG2 LYS 72 2HG LYS 72 8.440 -9.799 2.187 568 HG3 LYS 72 1HG LYS 72 6.828 -9.454 1.555 569 HD2 LYS 72 2HD LYS 72 6.789 -11.632 0.408 570 HD3 LYS 72 1HD LYS 72 8.414 -11.984 0.998 571 HE2 LYS 72 2HE LYS 72 6.720 -13.077 2.415 572 HE3 LYS 72 1HE LYS 72 7.593 -11.848 3.331 573 HZ1 LYS 72 3HZ LYS 72 5.379 -10.689 2.015 574 HZ2 LYS 72 1HZ LYS 72 5.710 -10.763 3.678 575 HZ3 LYS 72 2HZ LYS 72 4.859 -12.026 2.926 576 H ALA 73 H ALA 73 11.136 -7.513 -0.129 577 HA ALA 73 HA ALA 73 10.913 -6.815 -3.003 578 HB1 ALA 73 1HB ALA 73 12.600 -5.005 -2.560 579 HB2 ALA 73 2HB ALA 73 12.373 -5.290 -0.835 580 HB3 ALA 73 3HB ALA 73 11.036 -4.695 -1.806 581 H GLU 74 H GLU 74 12.601 -7.491 -4.196 582 HA GLU 74 HA GLU 74 14.312 -9.559 -3.063 583 HB2 GLU 74 2HB GLU 74 14.906 -9.976 -5.433 584 HB3 GLU 74 1HB GLU 74 13.164 -9.990 -5.165 585 HG2 GLU 74 2HG GLU 74 13.053 -7.624 -5.978 586 HG3 GLU 74 1HG GLU 74 14.777 -7.687 -6.325 587 H GLY 75 H GLY 75 16.404 -9.470 -2.738 588 HA2 GLY 75 2HA GLY 75 18.645 -8.771 -3.021 589 HA3 GLY 75 1HA GLY 75 18.096 -7.348 -3.893 590 H VAL 76 H VAL 76 16.126 -6.722 -1.717 591 HA VAL 76 HA VAL 76 18.018 -5.641 0.334 592 HB VAL 76 HB VAL 76 16.633 -3.654 0.456 593 HG11 VAL 76 1HG1 VAL 76 16.969 -2.737 -1.799 594 HG12 VAL 76 2HG1 VAL 76 17.126 -4.363 -2.455 595 HG13 VAL 76 3HG1 VAL 76 18.340 -3.744 -1.346 596 HG21 VAL 76 3HG2 VAL 76 14.797 -5.116 -1.494 597 HG22 VAL 76 1HG2 VAL 76 14.681 -3.378 -1.193 598 HG23 VAL 76 2HG2 VAL 76 14.398 -4.518 0.117 599 H THR 77 H THR 77 16.983 -5.217 2.411 600 HA THR 77 HA THR 77 14.961 -7.302 3.102 601 HB THR 77 HB THR 77 16.980 -5.930 4.925 602 HG1 THR 77 1HG THR 77 17.887 -7.288 3.286 603 HG21 THR 77 3HG2 THR 77 15.165 -8.349 5.294 604 HG22 THR 77 1HG2 THR 77 15.002 -6.793 6.110 605 HG23 THR 77 2HG2 THR 77 16.392 -7.822 6.443 606 H VAL 78 H VAL 78 13.013 -6.461 3.365 607 HA VAL 78 HA VAL 78 12.671 -3.614 4.063 608 HB VAL 78 HB VAL 78 10.463 -5.636 3.444 609 HG11 VAL 78 1HG1 VAL 78 9.826 -3.439 4.413 610 HG12 VAL 78 2HG1 VAL 78 9.242 -3.615 2.760 611 HG13 VAL 78 3HG1 VAL 78 10.658 -2.619 3.092 612 HG21 VAL 78 3HG2 VAL 78 12.009 -5.794 1.578 613 HG22 VAL 78 1HG2 VAL 78 12.166 -4.043 1.490 614 HG23 VAL 78 2HG2 VAL 78 10.641 -4.810 1.067 615 H GLN 79 H GLN 79 12.056 -2.990 6.053 616 HA GLN 79 HA GLN 79 10.594 -4.779 7.756 617 HB2 GLN 79 2HB GLN 79 12.251 -4.622 9.656 618 HB3 GLN 79 1HB GLN 79 12.741 -5.648 8.306 619 HG2 GLN 79 2HG GLN 79 14.080 -3.787 7.378 620 HG3 GLN 79 1HG GLN 79 13.604 -2.774 8.740 621 HE21 GLN 79 1HE2 GLN 79 16.215 -2.963 8.678 622 HE22 GLN 79 2HE2 GLN 79 16.843 -4.130 9.738 623 HA PRO 80 HA PRO 80 9.694 -4.704 9.941 624 HB2 PRO 80 2HB PRO 80 7.176 -3.954 10.738 625 HB3 PRO 80 1HB PRO 80 8.628 -3.569 11.686 626 HG2 PRO 80 2HG PRO 80 7.134 -1.815 9.745 627 HG3 PRO 80 1HG PRO 80 7.756 -1.414 11.361 628 HD2 PRO 80 2HD PRO 80 9.129 -0.718 9.088 629 HD3 PRO 80 1HD PRO 80 9.979 -1.161 10.587 630 H SER 81 H SER 81 8.635 -2.779 7.362 631 HA SER 81 HA SER 81 7.584 -3.234 5.378 632 HB2 SER 81 2HB SER 81 8.049 -5.320 4.435 633 HB3 SER 81 1HB SER 81 9.173 -5.365 5.779 634 HG SER 81 HG SER 81 8.119 -7.151 6.206 635 H THR 82 H THR 82 6.057 -3.104 7.975 636 HA THR 82 HA THR 82 3.502 -4.305 7.017 637 HB THR 82 HB THR 82 2.956 -4.677 9.449 638 HG1 THR 82 1HG THR 82 4.711 -3.138 10.055 639 HG21 THR 82 3HG2 THR 82 5.434 -6.097 8.439 640 HG22 THR 82 1HG2 THR 82 3.776 -6.540 8.066 641 HG23 THR 82 2HG2 THR 82 4.381 -6.680 9.717 642 H VAL 83 H VAL 83 1.821 -2.979 7.115 643 HA VAL 83 HA VAL 83 1.849 -0.488 8.669 644 HB VAL 83 HB VAL 83 1.300 0.871 6.623 645 HG11 VAL 83 1HG1 VAL 83 4.037 -0.454 6.364 646 HG12 VAL 83 2HG1 VAL 83 3.656 0.754 7.588 647 HG13 VAL 83 3HG1 VAL 83 3.585 1.178 5.881 648 HG21 VAL 83 3HG2 VAL 83 2.234 -1.616 5.133 649 HG22 VAL 83 1HG2 VAL 83 1.860 -0.060 4.397 650 HG23 VAL 83 2HG2 VAL 83 0.581 -1.002 5.155 651 H LYS 84 H LYS 84 -0.236 0.364 8.953 652 HA LYS 84 HA LYS 84 -2.439 -1.540 8.437 653 HB2 LYS 84 2HB LYS 84 -2.222 0.933 10.198 654 HB3 LYS 84 1HB LYS 84 -3.637 -0.122 10.090 655 HG2 LYS 84 2HG LYS 84 -2.258 -2.038 10.854 656 HG3 LYS 84 1HG LYS 84 -0.860 -0.967 10.988 657 HD2 LYS 84 2HD LYS 84 -2.035 0.395 12.668 658 HD3 LYS 84 1HD LYS 84 -3.462 -0.635 12.523 659 HE2 LYS 84 2HE LYS 84 -2.096 -1.279 14.480 660 HE3 LYS 84 1HE LYS 84 -2.147 -2.578 13.287 661 HZ1 LYS 84 3HZ LYS 84 0.106 -1.865 14.291 662 HZ2 LYS 84 1HZ LYS 84 0.009 -0.576 13.193 663 HZ3 LYS 84 2HZ LYS 84 0.004 -2.179 12.625 664 H VAL 85 H VAL 85 -4.001 -1.078 7.021 665 HA VAL 85 HA VAL 85 -4.224 1.666 5.873 666 HB VAL 85 HB VAL 85 -3.058 0.047 4.335 667 HG11 VAL 85 1HG1 VAL 85 -5.735 -1.392 4.107 668 HG12 VAL 85 2HG1 VAL 85 -4.444 -1.971 5.153 669 HG13 VAL 85 3HG1 VAL 85 -4.180 -1.867 3.419 670 HG21 VAL 85 3HG2 VAL 85 -4.461 0.579 2.366 671 HG22 VAL 85 1HG2 VAL 85 -4.339 1.963 3.450 672 HG23 VAL 85 2HG2 VAL 85 -5.802 0.984 3.431 673 H ASN 86 H ASN 86 -6.217 2.449 5.850 674 HA ASN 86 HA ASN 86 -8.498 0.703 6.676 675 HB2 ASN 86 2HB ASN 86 -8.164 3.722 6.835 676 HB3 ASN 86 1HB ASN 86 -9.551 2.796 7.414 677 HD21 ASN 86 1HD2 ASN 86 -7.236 4.430 8.779 678 HD22 ASN 86 2HD2 ASN 86 -6.739 3.392 10.025 679 H LEU 87 H LEU 87 -10.000 0.299 5.201 680 HA LEU 87 HA LEU 87 -10.144 1.901 2.687 681 HB2 LEU 87 2HB LEU 87 -11.135 -0.941 3.163 682 HB3 LEU 87 1HB LEU 87 -10.937 -0.115 1.616 683 HG LEU 87 HG LEU 87 -8.691 -0.899 3.516 684 HD11 LEU 87 1HD1 LEU 87 -9.496 -2.013 0.812 685 HD12 LEU 87 2HD1 LEU 87 -9.708 -2.819 2.367 686 HD13 LEU 87 3HD1 LEU 87 -8.086 -2.508 1.747 687 HD21 LEU 87 3HD2 LEU 87 -8.668 0.536 0.834 688 HD22 LEU 87 1HD2 LEU 87 -7.235 -0.250 1.498 689 HD23 LEU 87 2HD2 LEU 87 -7.977 1.089 2.357 690 H LYS 88 H LYS 88 -11.705 3.394 2.984 691 HA LYS 88 HA LYS 88 -14.141 2.773 4.501 692 HB2 LYS 88 2HB LYS 88 -13.175 5.278 3.071 693 HB3 LYS 88 1HB LYS 88 -14.647 5.169 4.043 694 HG2 LYS 88 2HG LYS 88 -13.290 4.535 6.016 695 HG3 LYS 88 1HG LYS 88 -11.822 4.666 5.043 696 HD2 LYS 88 2HD LYS 88 -12.299 7.051 4.631 697 HD3 LYS 88 1HD LYS 88 -13.774 6.927 5.593 698 HE2 LYS 88 2HE LYS 88 -12.429 6.294 7.569 699 HE3 LYS 88 1HE LYS 88 -10.955 6.436 6.607 700 HZ1 LYS 88 3HZ LYS 88 -11.968 8.784 6.108 701 HZ2 LYS 88 1HZ LYS 88 -11.051 8.505 7.507 702 HZ3 LYS 88 2HZ LYS 88 -12.748 8.526 7.594 703 H VAL 89 H VAL 89 -15.961 2.159 3.535 704 HA VAL 89 HA VAL 89 -16.148 2.188 0.567 705 HB VAL 89 HB VAL 89 -17.789 0.545 2.550 706 HG11 VAL 89 1HG1 VAL 89 -18.273 -0.818 0.548 707 HG12 VAL 89 2HG1 VAL 89 -17.274 0.252 -0.431 708 HG13 VAL 89 3HG1 VAL 89 -18.762 0.855 0.286 709 HG21 VAL 89 3HG2 VAL 89 -15.410 -0.049 2.780 710 HG22 VAL 89 1HG2 VAL 89 -15.271 -0.229 1.031 711 HG23 VAL 89 2HG2 VAL 89 -16.288 -1.328 1.959 712 H THR 90 H THR 90 -17.695 3.384 -0.377 713 HA THR 90 HA THR 90 -19.568 4.935 1.331 714 HB THR 90 HB THR 90 -18.861 5.339 -1.606 715 HG1 THR 90 1HG THR 90 -17.037 5.852 -0.650 716 HG21 THR 90 3HG2 THR 90 -20.229 7.114 0.447 717 HG22 THR 90 1HG2 THR 90 -21.001 6.352 -0.946 718 HG23 THR 90 2HG2 THR 90 -19.787 7.605 -1.185 719 H GLN 91 H GLN 91 -21.587 4.211 1.449 720 HA GLN 91 HA GLN 91 -22.592 2.182 -0.400 721 HB2 GLN 91 2HB GLN 91 -24.281 3.349 1.838 722 HB3 GLN 91 1HB GLN 91 -24.181 1.683 1.261 723 HG2 GLN 91 2HG GLN 91 -22.172 3.170 3.002 724 HG3 GLN 91 1HG GLN 91 -23.103 1.735 3.428 725 HE21 GLN 91 1HE2 GLN 91 -22.502 -0.312 2.129 726 HE22 GLN 91 2HE2 GLN 91 -20.909 -0.468 1.578 727 H LYS 92 H LYS 92 -24.048 2.538 -1.960 728 HA LYS 92 HA LYS 92 -24.567 5.178 -2.861 729 HB2 LYS 92 2HB LYS 92 -24.417 3.144 -4.340 730 HB3 LYS 92 1HB LYS 92 -25.961 2.597 -3.692 731 HG2 LYS 92 2HG LYS 92 -27.059 4.652 -4.505 732 HG3 LYS 92 1HG LYS 92 -25.514 5.256 -5.106 733 HD2 LYS 92 2HD LYS 92 -25.367 3.320 -6.643 734 HD3 LYS 92 1HD LYS 92 -26.921 2.737 -6.046 735 HE2 LYS 92 2HE LYS 92 -27.215 3.997 -8.147 736 HE3 LYS 92 1HE LYS 92 -27.999 4.835 -6.808 737 HZ1 LYS 92 3HZ LYS 92 -25.238 5.556 -7.144 738 HZ2 LYS 92 1HZ LYS 92 -26.604 6.549 -6.982 739 HZ3 LYS 92 2HZ LYS 92 -26.186 5.926 -8.504 740 H LEU 93 H LEU 93 -26.337 6.453 -2.589 741 HA LEU 93 HA LEU 93 -28.850 5.477 -1.646 742 HB2 LEU 93 2HB LEU 93 -27.272 5.534 0.443 743 HB3 LEU 93 1HB LEU 93 -27.394 7.280 0.320 744 HG LEU 93 HG LEU 93 -30.036 6.807 0.249 745 HD11 LEU 93 1HD1 LEU 93 -28.995 4.334 1.689 746 HD12 LEU 93 2HD1 LEU 93 -29.803 4.328 0.127 747 HD13 LEU 93 3HD1 LEU 93 -30.682 4.827 1.567 748 HD21 LEU 93 3HD2 LEU 93 -28.949 8.064 2.046 749 HD22 LEU 93 1HD2 LEU 93 -28.391 6.568 2.794 750 HD23 LEU 93 2HD2 LEU 93 -30.117 6.938 2.737 751 H GLU 94 H GLU 94 -28.846 6.687 -3.784 752 HA GLU 94 HA GLU 94 -29.779 9.454 -3.269 753 HB2 GLU 94 2HB GLU 94 -27.906 8.715 -5.556 754 HB3 GLU 94 1HB GLU 94 -28.580 10.306 -5.205 755 HG2 GLU 94 2HG GLU 94 -26.411 10.457 -4.241 756 HG3 GLU 94 1HG GLU 94 -27.409 10.052 -2.849 757 H HIS 95 H HIS 95 -31.259 10.231 -4.769 758 HA HIS 95 HA HIS 95 -33.102 8.312 -5.758 759 HB2 HIS 95 2HB HIS 95 -32.851 11.270 -6.408 760 HB3 HIS 95 1HB HIS 95 -34.269 10.262 -6.702 761 HD2 HIS 95 2HD HIS 95 -35.676 9.473 -4.313 762 HE1 HIS 95 1HE HIS 95 -33.601 12.126 -1.768 763 HE2 HIS 95 2HE HIS 95 -35.594 10.560 -1.941 764 H HIS 96 H HIS 96 -33.776 8.093 -7.997 765 HA HIS 96 HA HIS 96 -32.112 8.907 -10.181 766 HB2 HIS 96 2HB HIS 96 -31.291 6.605 -10.764 767 HB3 HIS 96 1HB HIS 96 -30.573 7.239 -9.283 768 HD2 HIS 96 2HD HIS 96 -32.457 4.118 -10.396 769 HE1 HIS 96 1HE HIS 96 -32.852 4.261 -6.195 770 HE2 HIS 96 2HE HIS 96 -33.171 2.808 -8.254 771 H HIS 97 H HIS 97 -34.288 9.535 -10.750 772 HA HIS 97 HA HIS 97 -36.359 7.596 -11.177 773 HB2 HIS 97 2HB HIS 97 -36.816 10.019 -10.843 774 HB3 HIS 97 1HB HIS 97 -36.030 10.371 -12.380 775 HD2 HIS 97 2HD HIS 97 -37.721 10.142 -14.577 776 HE1 HIS 97 1HE HIS 97 -40.849 8.032 -12.683 777 HE2 HIS 97 2HE HIS 97 -40.121 9.148 -14.845 778 H HIS 98 H HIS 98 -37.201 6.960 -13.256 779 HA HIS 98 HA HIS 98 -35.634 7.271 -15.668 780 HB2 HIS 98 2HB HIS 98 -35.107 4.852 -15.912 781 HB3 HIS 98 1HB HIS 98 -34.270 5.574 -14.537 782 HD2 HIS 98 2HD HIS 98 -34.515 3.937 -12.343 783 HE1 HIS 98 1HE HIS 98 -38.326 2.330 -13.186 784 HE2 HIS 98 2HE HIS 98 -36.393 2.313 -11.539 785 H HIS 99 H HIS 99 -36.630 6.200 -17.494 786 HA HIS 99 HA HIS 99 -39.479 6.393 -17.459 787 HB2 HIS 99 2HB HIS 99 -37.623 5.170 -19.533 788 HB3 HIS 99 1HB HIS 99 -39.320 5.582 -19.791 789 HD2 HIS 99 2HD HIS 99 -35.883 7.290 -19.967 790 HE1 HIS 99 1HE HIS 99 -38.756 10.384 -20.007 791 HE2 HIS 99 2HE HIS 99 -36.300 9.839 -20.350 792 H HIS 100 H HIS 100 -41.031 4.783 -17.591 793 HA HIS 100 HA HIS 100 -40.431 1.983 -17.694 794 HB2 HIS 100 2HB HIS 100 -39.680 2.494 -15.366 795 HB3 HIS 100 1HB HIS 100 -41.292 3.099 -14.995 796 HD2 HIS 100 2HD HIS 100 -39.421 -0.281 -15.199 797 HE1 HIS 100 1HE HIS 100 -43.523 -1.190 -14.783 798 HE2 HIS 100 2HE HIS 100 -41.177 -2.164 -14.767 Start of MODEL 8 1 H1 LYS 1 1HT LYS 1 32.827 -1.122 2.673 2 H2 LYS 1 2HT LYS 1 33.929 -1.350 1.399 3 H3 LYS 1 3HT LYS 1 34.169 -2.139 2.884 4 HA LYS 1 HA LYS 1 32.865 -3.135 0.670 5 HB2 LYS 1 2HB LYS 1 32.875 -4.024 3.580 6 HB3 LYS 1 1HB LYS 1 32.404 -5.046 2.221 7 HG2 LYS 1 2HG LYS 1 34.653 -4.778 1.231 8 HG3 LYS 1 1HG LYS 1 35.129 -3.753 2.587 9 HD2 LYS 1 2HD LYS 1 34.695 -5.640 4.148 10 HD3 LYS 1 1HD LYS 1 34.268 -6.661 2.773 11 HE2 LYS 1 2HE LYS 1 36.961 -5.341 3.228 12 HE3 LYS 1 1HE LYS 1 36.602 -7.053 3.449 13 HZ1 LYS 1 2HZ LYS 1 35.731 -6.738 0.985 14 HZ2 LYS 1 3HZ LYS 1 37.349 -7.124 1.333 15 HZ3 LYS 1 1HZ LYS 1 36.915 -5.521 0.990 16 H ILE 2 H ILE 2 30.672 -4.433 1.116 17 HA ILE 2 HA ILE 2 28.585 -2.513 1.084 18 HB ILE 2 HB ILE 2 28.344 -5.515 1.522 19 HG12 ILE 2 2HG1 ILE 2 29.741 -5.123 -0.446 20 HG13 ILE 2 1HG1 ILE 2 28.152 -5.660 -0.968 21 HG21 ILE 2 1HG2 ILE 2 26.146 -5.204 0.376 22 HG22 ILE 2 2HG2 ILE 2 26.422 -3.462 0.367 23 HG23 ILE 2 3HG2 ILE 2 26.236 -4.318 1.898 24 HD11 ILE 2 3HD1 ILE 2 28.628 -3.884 -2.432 25 HD12 ILE 2 1HD1 ILE 2 29.385 -2.914 -1.177 26 HD13 ILE 2 2HD1 ILE 2 27.631 -3.087 -1.220 27 H SER 3 H SER 3 29.671 -4.812 3.571 28 HA SER 3 HA SER 3 27.657 -4.331 5.462 29 HB2 SER 3 2HB SER 3 30.558 -5.043 5.951 30 HB3 SER 3 1HB SER 3 29.243 -5.235 7.109 31 HG SER 3 HG SER 3 28.303 -6.730 5.748 32 H LEU 4 H LEU 4 30.741 -2.694 4.927 33 HA LEU 4 HA LEU 4 30.515 -0.891 7.153 34 HB2 LEU 4 2HB LEU 4 32.139 -0.556 4.601 35 HB3 LEU 4 1HB LEU 4 32.410 0.265 6.138 36 HG LEU 4 HG LEU 4 32.654 -2.730 5.659 37 HD11 LEU 4 1HD1 LEU 4 34.457 -1.414 4.607 38 HD12 LEU 4 2HD1 LEU 4 35.074 -2.338 5.974 39 HD13 LEU 4 3HD1 LEU 4 34.774 -0.609 6.144 40 HD21 LEU 4 3HD2 LEU 4 33.802 -2.591 8.005 41 HD22 LEU 4 1HD2 LEU 4 32.045 -2.517 7.959 42 HD23 LEU 4 2HD2 LEU 4 32.982 -1.037 8.169 43 H ARG 5 H ARG 5 29.885 1.263 7.174 44 HA ARG 5 HA ARG 5 28.512 3.036 6.679 45 HB2 ARG 5 2HB ARG 5 29.483 2.464 3.863 46 HB3 ARG 5 1HB ARG 5 28.723 3.960 4.402 47 HG2 ARG 5 2HG ARG 5 30.554 4.332 6.008 48 HG3 ARG 5 1HG ARG 5 31.316 2.823 5.502 49 HD2 ARG 5 2HD ARG 5 32.401 4.680 4.351 50 HD3 ARG 5 1HD ARG 5 31.486 3.741 3.173 51 HE ARG 5 HE ARG 5 29.863 5.834 4.200 52 HH11 ARG 5 1HH2 ARG 5 32.611 5.269 2.149 53 HH12 ARG 5 2HH2 ARG 5 32.332 6.670 1.171 54 HH21 ARG 5 1HH1 ARG 5 29.508 7.664 2.915 55 HH22 ARG 5 2HH1 ARG 5 30.579 8.022 1.603 56 H LYS 6 H LYS 6 26.684 1.661 7.283 57 HA LYS 6 HA LYS 6 25.136 0.219 5.383 58 HB2 LYS 6 2HB LYS 6 24.315 1.532 7.995 59 HB3 LYS 6 1HB LYS 6 23.331 0.375 7.095 60 HG2 LYS 6 2HG LYS 6 25.116 -1.320 7.322 61 HG3 LYS 6 1HG LYS 6 26.097 -0.168 8.230 62 HD2 LYS 6 2HD LYS 6 24.332 -0.036 9.965 63 HD3 LYS 6 1HD LYS 6 23.363 -1.200 9.059 64 HE2 LYS 6 2HE LYS 6 25.157 -2.883 9.291 65 HE3 LYS 6 1HE LYS 6 26.134 -1.721 10.189 66 HZ1 LYS 6 3HZ LYS 6 23.405 -2.451 11.056 67 HZ2 LYS 6 1HZ LYS 6 24.647 -1.731 11.962 68 HZ3 LYS 6 2HZ LYS 6 24.760 -3.367 11.517 69 H LEU 7 H LEU 7 23.572 0.854 4.003 70 HA LEU 7 HA LEU 7 22.906 3.756 3.794 71 HB2 LEU 7 2HB LEU 7 22.814 1.639 1.606 72 HB3 LEU 7 1HB LEU 7 22.609 3.381 1.414 73 HG LEU 7 HG LEU 7 25.153 1.969 2.307 74 HD11 LEU 7 1HD1 LEU 7 24.480 3.414 -0.278 75 HD12 LEU 7 2HD1 LEU 7 24.623 1.665 -0.088 76 HD13 LEU 7 3HD1 LEU 7 26.039 2.694 0.124 77 HD21 LEU 7 3HD2 LEU 7 25.217 4.110 3.369 78 HD22 LEU 7 1HD2 LEU 7 24.479 4.924 1.989 79 HD23 LEU 7 2HD2 LEU 7 26.144 4.343 1.896 80 H SER 8 H SER 8 20.805 4.325 3.462 81 HA SER 8 HA SER 8 18.695 2.278 3.422 82 HB2 SER 8 2HB SER 8 17.546 3.215 5.355 83 HB3 SER 8 1HB SER 8 19.166 2.712 5.836 84 HG SER 8 HG SER 8 19.717 4.747 6.111 85 H LYS 9 H LYS 9 16.719 3.067 2.725 86 HA LYS 9 HA LYS 9 16.441 5.873 1.922 87 HB2 LYS 9 2HB LYS 9 16.368 3.546 -0.027 88 HB3 LYS 9 1HB LYS 9 15.684 5.123 -0.407 89 HG2 LYS 9 2HG LYS 9 18.602 4.735 0.339 90 HG3 LYS 9 1HG LYS 9 18.022 4.691 -1.311 91 HD2 LYS 9 2HD LYS 9 17.168 7.010 -1.073 92 HD3 LYS 9 1HD LYS 9 17.798 7.076 0.569 93 HE2 LYS 9 2HE LYS 9 20.080 6.681 -0.271 94 HE3 LYS 9 1HE LYS 9 19.462 6.625 -1.920 95 HZ1 LYS 9 3HZ LYS 9 19.907 8.896 -0.188 96 HZ2 LYS 9 1HZ LYS 9 18.442 8.937 -1.042 97 HZ3 LYS 9 2HZ LYS 9 19.913 8.803 -1.883 98 H SER 10 H SER 10 14.340 6.313 1.072 99 HA SER 10 HA SER 10 12.218 4.705 2.424 100 HB2 SER 10 2HB SER 10 10.969 6.778 2.600 101 HB3 SER 10 1HB SER 10 12.573 7.017 3.294 102 HG SER 10 HG SER 10 11.398 8.162 1.093 103 H VAL 11 H VAL 11 10.586 3.966 1.250 104 HA VAL 11 HA VAL 11 10.178 4.832 -1.565 105 HB VAL 11 HB VAL 11 9.647 2.277 -1.942 106 HG11 VAL 11 1HG1 VAL 11 11.512 3.460 -3.039 107 HG12 VAL 11 2HG1 VAL 11 12.001 1.846 -2.554 108 HG13 VAL 11 3HG1 VAL 11 12.510 3.237 -1.603 109 HG21 VAL 11 3HG2 VAL 11 9.873 1.650 0.492 110 HG22 VAL 11 1HG2 VAL 11 11.581 2.071 0.412 111 HG23 VAL 11 2HG2 VAL 11 10.954 0.739 -0.551 112 HA PRO 12 HA PRO 12 6.162 5.103 0.719 113 HB2 PRO 12 2HB PRO 12 5.395 6.398 -1.911 114 HB3 PRO 12 1HB PRO 12 5.023 6.934 -0.252 115 HG2 PRO 12 2HG PRO 12 6.908 8.188 -1.624 116 HG3 PRO 12 1HG PRO 12 7.199 7.776 0.084 117 HD2 PRO 12 2HD PRO 12 8.223 6.329 -2.386 118 HD3 PRO 12 1HD PRO 12 9.092 6.769 -0.891 119 H VAL 13 H VAL 13 4.296 3.887 0.530 120 HA VAL 13 HA VAL 13 4.353 1.692 -1.408 121 HB VAL 13 HB VAL 13 2.317 2.199 0.811 122 HG11 VAL 13 1HG1 VAL 13 3.236 -0.347 -0.579 123 HG12 VAL 13 2HG1 VAL 13 1.730 0.498 -0.923 124 HG13 VAL 13 3HG1 VAL 13 1.984 -0.235 0.659 125 HG21 VAL 13 3HG2 VAL 13 3.724 0.695 2.206 126 HG22 VAL 13 1HG2 VAL 13 4.589 2.172 1.788 127 HG23 VAL 13 2HG2 VAL 13 4.949 0.674 0.937 128 H LYS 14 H LYS 14 3.024 1.552 -3.153 129 HA LYS 14 HA LYS 14 0.973 3.680 -3.591 130 HB2 LYS 14 2HB LYS 14 2.978 3.654 -5.120 131 HB3 LYS 14 1HB LYS 14 2.487 2.058 -5.674 132 HG2 LYS 14 2HG LYS 14 0.328 2.986 -6.449 133 HG3 LYS 14 1HG LYS 14 0.802 4.582 -5.864 134 HD2 LYS 14 2HD LYS 14 2.759 4.547 -7.416 135 HD3 LYS 14 1HD LYS 14 2.215 2.984 -8.029 136 HE2 LYS 14 2HE LYS 14 0.674 5.594 -8.172 137 HE3 LYS 14 1HE LYS 14 1.462 4.779 -9.521 138 HZ1 LYS 14 3HZ LYS 14 -0.729 4.097 -9.682 139 HZ2 LYS 14 1HZ LYS 14 -0.929 3.954 -8.003 140 HZ3 LYS 14 2HZ LYS 14 -0.005 2.806 -8.847 141 H LEU 15 H LEU 15 -1.046 2.962 -3.578 142 HA LEU 15 HA LEU 15 -1.653 0.070 -3.776 143 HB2 LEU 15 2HB LEU 15 -3.115 2.494 -2.693 144 HB3 LEU 15 1HB LEU 15 -4.031 1.046 -3.107 145 HG LEU 15 HG LEU 15 -2.599 -0.278 -1.553 146 HD11 LEU 15 1HD1 LEU 15 -1.151 0.990 0.069 147 HD12 LEU 15 2HD1 LEU 15 -1.378 2.435 -0.919 148 HD13 LEU 15 3HD1 LEU 15 -0.550 1.030 -1.582 149 HD21 LEU 15 3HD2 LEU 15 -4.726 0.681 -0.769 150 HD22 LEU 15 1HD2 LEU 15 -3.902 2.181 -0.326 151 HD23 LEU 15 2HD2 LEU 15 -3.531 0.685 0.526 152 H GLU 16 H GLU 16 -2.624 -0.778 -5.488 153 HA GLU 16 HA GLU 16 -3.794 0.994 -7.600 154 HB2 GLU 16 2HB GLU 16 -1.636 -0.096 -8.249 155 HB3 GLU 16 1HB GLU 16 -2.370 -1.671 -7.966 156 HG2 GLU 16 2HG GLU 16 -4.070 -1.205 -9.701 157 HG3 GLU 16 1HG GLU 16 -3.380 0.396 -9.955 158 H LEU 17 H LEU 17 -5.940 0.810 -7.311 159 HA LEU 17 HA LEU 17 -7.260 -1.454 -6.197 160 HB2 LEU 17 2HB LEU 17 -9.321 -0.279 -6.834 161 HB3 LEU 17 1HB LEU 17 -8.182 0.790 -6.029 162 HG LEU 17 HG LEU 17 -7.467 1.122 -8.750 163 HD11 LEU 17 1HD1 LEU 17 -9.531 -0.195 -9.364 164 HD12 LEU 17 2HD1 LEU 17 -9.468 1.432 -10.042 165 HD13 LEU 17 3HD1 LEU 17 -10.501 1.092 -8.653 166 HD21 LEU 17 3HD2 LEU 17 -9.473 2.799 -7.196 167 HD22 LEU 17 1HD2 LEU 17 -8.536 3.330 -8.593 168 HD23 LEU 17 2HD2 LEU 17 -7.719 2.941 -7.080 169 H THR 18 H THR 18 -7.952 -3.269 -7.140 170 HA THR 18 HA THR 18 -8.208 -3.448 -10.105 171 HB THR 18 HB THR 18 -7.233 -5.714 -9.987 172 HG1 THR 18 1HG THR 18 -7.154 -6.585 -8.101 173 HG21 THR 18 3HG2 THR 18 -4.896 -5.045 -9.583 174 HG22 THR 18 1HG2 THR 18 -5.453 -3.585 -8.766 175 HG23 THR 18 2HG2 THR 18 -5.760 -3.804 -10.489 176 H GLY 19 H GLY 19 -9.878 -4.635 -10.832 177 HA2 GLY 19 2HA GLY 19 -11.538 -6.409 -10.557 178 HA3 GLY 19 1HA GLY 19 -11.730 -5.937 -8.869 179 H ASP 20 H ASP 20 -13.965 -6.110 -10.362 180 HA ASP 20 HA ASP 20 -14.704 -3.488 -11.465 181 HB2 ASP 20 2HB ASP 20 -16.296 -6.036 -11.032 182 HB3 ASP 20 1HB ASP 20 -16.889 -4.601 -11.864 183 H LYS 21 H LYS 21 -15.846 -1.946 -10.368 184 HA LYS 21 HA LYS 21 -16.080 -2.033 -7.536 185 HB2 LYS 21 2HB LYS 21 -17.356 -0.182 -9.582 186 HB3 LYS 21 1HB LYS 21 -17.350 0.103 -7.843 187 HG2 LYS 21 2HG LYS 21 -14.883 0.130 -7.846 188 HG3 LYS 21 1HG LYS 21 -14.873 -0.169 -9.583 189 HD2 LYS 21 2HD LYS 21 -16.108 1.959 -9.939 190 HD3 LYS 21 1HD LYS 21 -16.069 2.260 -8.201 191 HE2 LYS 21 2HE LYS 21 -13.646 1.984 -10.011 192 HE3 LYS 21 1HE LYS 21 -14.253 3.488 -9.316 193 HZ1 LYS 21 3HZ LYS 21 -12.685 1.404 -8.100 194 HZ2 LYS 21 1HZ LYS 21 -14.013 1.883 -7.158 195 HZ3 LYS 21 2HZ LYS 21 -12.863 3.034 -7.650 196 H ALA 22 H ALA 22 -17.792 -2.560 -6.223 197 HA ALA 22 HA ALA 22 -19.806 -4.292 -7.190 198 HB1 ALA 22 1HB ALA 22 -19.026 -4.344 -4.856 199 HB2 ALA 22 2HB ALA 22 -20.776 -4.153 -4.935 200 HB3 ALA 22 3HB ALA 22 -19.754 -2.769 -4.566 201 H SER 23 H SER 23 -22.195 -3.888 -6.615 202 HA SER 23 HA SER 23 -23.067 -1.587 -8.204 203 HB2 SER 23 2HB SER 23 -24.088 -3.803 -8.542 204 HB3 SER 23 1HB SER 23 -24.690 -3.780 -6.886 205 HG SER 23 HG SER 23 -25.318 -1.998 -9.010 206 H ASN 24 H ASN 24 -22.859 -2.462 -4.834 207 HA ASN 24 HA ASN 24 -24.783 -0.425 -3.966 208 HB2 ASN 24 2HB ASN 24 -24.378 -1.261 -1.734 209 HB3 ASN 24 1HB ASN 24 -24.560 -2.644 -2.811 210 HD21 ASN 24 1HD2 ASN 24 -22.247 -0.829 -0.836 211 HD22 ASN 24 2HD2 ASN 24 -20.996 -1.973 -0.925 212 H VAL 25 H VAL 25 -21.434 -0.540 -4.700 213 HA VAL 25 HA VAL 25 -20.780 1.717 -2.897 214 HB VAL 25 HB VAL 25 -19.344 -0.339 -2.941 215 HG11 VAL 25 1HG1 VAL 25 -17.954 -0.890 -4.814 216 HG12 VAL 25 2HG1 VAL 25 -18.290 0.634 -5.632 217 HG13 VAL 25 3HG1 VAL 25 -19.537 -0.596 -5.522 218 HG21 VAL 25 3HG2 VAL 25 -18.463 1.855 -2.179 219 HG22 VAL 25 1HG2 VAL 25 -17.967 2.225 -3.830 220 HG23 VAL 25 2HG2 VAL 25 -17.217 0.892 -2.961 221 H SER 26 H SER 26 -20.662 3.723 -3.613 222 HA SER 26 HA SER 26 -20.811 4.323 -6.494 223 HB2 SER 26 2HB SER 26 -22.316 5.480 -4.935 224 HB3 SER 26 1HB SER 26 -20.929 6.143 -4.072 225 HG SER 26 HG SER 26 -20.629 7.525 -5.650 226 H SER 27 H SER 27 -18.614 4.569 -3.767 227 HA SER 27 HA SER 27 -16.342 5.072 -5.511 228 HB2 SER 27 2HB SER 27 -17.185 7.360 -5.205 229 HB3 SER 27 1HB SER 27 -17.182 7.141 -3.458 230 HG SER 27 HG SER 27 -14.806 6.457 -4.579 231 H ILE 28 H ILE 28 -14.323 4.930 -4.381 232 HA ILE 28 HA ILE 28 -14.414 3.639 -1.692 233 HB ILE 28 HB ILE 28 -12.690 2.850 -4.072 234 HG12 ILE 28 2HG1 ILE 28 -14.863 1.240 -2.660 235 HG13 ILE 28 1HG1 ILE 28 -15.165 2.151 -4.137 236 HG21 ILE 28 1HG2 ILE 28 -11.998 0.944 -2.528 237 HG22 ILE 28 2HG2 ILE 28 -12.837 1.769 -1.219 238 HG23 ILE 28 3HG2 ILE 28 -11.440 2.521 -1.982 239 HD11 ILE 28 3HD1 ILE 28 -14.693 -0.205 -4.648 240 HD12 ILE 28 1HD1 ILE 28 -13.140 -0.076 -3.826 241 HD13 ILE 28 2HD1 ILE 28 -13.431 0.841 -5.302 242 H SER 29 H SER 29 -12.954 4.374 -0.271 243 HA SER 29 HA SER 29 -10.717 6.138 -1.159 244 HB2 SER 29 2HB SER 29 -12.524 7.549 -0.252 245 HB3 SER 29 1HB SER 29 -12.551 6.582 1.218 246 HG SER 29 HG SER 29 -11.146 8.654 0.919 247 H TYR 30 H TYR 30 -8.903 6.096 0.213 248 HA TYR 30 HA TYR 30 -8.801 4.113 2.391 249 HB2 TYR 30 2HB TYR 30 -6.830 3.000 1.406 250 HB3 TYR 30 1HB TYR 30 -8.252 2.810 0.381 251 HD1 TYR 30 2HD TYR 30 -5.002 4.576 0.753 252 HD2 TYR 30 1HD TYR 30 -8.401 3.929 -1.807 253 HE1 TYR 30 2HE TYR 30 -3.800 5.657 -1.125 254 HE2 TYR 30 1HE TYR 30 -7.191 5.015 -3.678 255 HH TYR 30 HH TYR 30 -5.180 6.848 -3.749 256 H SER 31 H SER 31 -6.960 4.306 3.712 257 HA SER 31 HA SER 31 -5.179 6.631 3.351 258 HB2 SER 31 2HB SER 31 -6.926 6.246 5.803 259 HB3 SER 31 1HB SER 31 -5.695 7.488 5.592 260 HG SER 31 HG SER 31 -6.935 8.486 4.133 261 H PHE 32 H PHE 32 -3.406 6.617 4.849 262 HA PHE 32 HA PHE 32 -2.834 4.060 6.237 263 HB2 PHE 32 2HB PHE 32 -0.530 4.108 5.165 264 HB3 PHE 32 1HB PHE 32 -1.843 3.724 4.054 265 HD1 PHE 32 1HD PHE 32 0.360 6.510 5.247 266 HD2 PHE 32 2HD PHE 32 -2.329 5.178 2.161 267 HE1 PHE 32 1HE PHE 32 0.991 8.452 3.851 268 HE2 PHE 32 2HE PHE 32 -1.688 7.126 0.774 269 HZ PHE 32 HZ PHE 32 -0.031 8.762 1.616 270 H ASP 33 H ASP 33 -1.538 4.279 8.010 271 HA ASP 33 HA ASP 33 -1.318 6.884 9.199 272 HB2 ASP 33 2HB ASP 33 -0.189 4.193 10.037 273 HB3 ASP 33 1HB ASP 33 -0.167 5.645 11.038 274 H ARG 34 H ARG 34 0.930 4.707 7.522 275 HA ARG 34 HA ARG 34 3.069 6.807 7.648 276 HB2 ARG 34 2HB ARG 34 3.366 3.783 7.759 277 HB3 ARG 34 1HB ARG 34 4.701 4.935 7.670 278 HG2 ARG 34 2HG ARG 34 4.015 5.924 9.816 279 HG3 ARG 34 1HG ARG 34 2.651 4.809 9.907 280 HD2 ARG 34 2HD ARG 34 4.220 2.894 9.918 281 HD3 ARG 34 1HD ARG 34 5.582 4.012 9.842 282 HE ARG 34 HE ARG 34 4.012 4.734 12.052 283 HH11 ARG 34 1HH2 ARG 34 5.967 2.074 10.956 284 HH12 ARG 34 2HH2 ARG 34 6.410 1.575 12.553 285 HH21 ARG 34 1HH1 ARG 34 4.596 4.072 14.131 286 HH22 ARG 34 2HH1 ARG 34 5.636 2.703 14.346 287 H GLY 35 H GLY 35 2.104 3.823 5.968 288 HA2 GLY 35 2HA GLY 35 2.116 3.235 3.748 289 HA3 GLY 35 1HA GLY 35 1.861 4.941 3.413 290 H HIS 36 H HIS 36 4.701 4.008 5.181 291 HA HIS 36 HA HIS 36 6.436 3.883 2.822 292 HB2 HIS 36 2HB HIS 36 7.882 5.718 3.629 293 HB3 HIS 36 1HB HIS 36 6.266 6.309 3.250 294 HD2 HIS 36 2HD HIS 36 8.276 5.311 6.540 295 HE1 HIS 36 1HE HIS 36 5.214 8.027 7.573 296 HE2 HIS 36 2HE HIS 36 7.195 6.710 8.460 297 H VAL 37 H VAL 37 8.224 2.683 3.203 298 HA VAL 37 HA VAL 37 8.877 1.843 5.991 299 HB VAL 37 HB VAL 37 7.682 0.001 4.963 300 HG11 VAL 37 1HG1 VAL 37 8.400 -1.003 2.827 301 HG12 VAL 37 2HG1 VAL 37 9.628 0.250 2.652 302 HG13 VAL 37 3HG1 VAL 37 7.919 0.679 2.607 303 HG21 VAL 37 3HG2 VAL 37 10.637 -0.696 4.714 304 HG22 VAL 37 1HG2 VAL 37 9.312 -1.768 5.147 305 HG23 VAL 37 2HG2 VAL 37 9.818 -0.509 6.267 306 H THR 38 H THR 38 11.032 0.992 6.167 307 HA THR 38 HA THR 38 12.965 2.566 4.544 308 HB THR 38 HB THR 38 13.353 1.149 7.213 309 HG1 THR 38 1HG THR 38 12.036 2.795 7.656 310 HG21 THR 38 3HG2 THR 38 15.368 2.598 7.342 311 HG22 THR 38 1HG2 THR 38 15.037 3.190 5.716 312 HG23 THR 38 2HG2 THR 38 15.457 1.496 5.970 313 H ILE 39 H ILE 39 14.363 1.543 3.232 314 HA ILE 39 HA ILE 39 14.516 -1.436 3.230 315 HB ILE 39 HB ILE 39 15.171 -1.045 0.752 316 HG12 ILE 39 2HG1 ILE 39 13.869 1.663 1.258 317 HG13 ILE 39 1HG1 ILE 39 15.600 1.442 1.060 318 HG21 ILE 39 1HG2 ILE 39 12.810 -0.855 0.032 319 HG22 ILE 39 2HG2 ILE 39 12.368 -0.293 1.642 320 HG23 ILE 39 3HG2 ILE 39 12.983 -1.924 1.412 321 HD11 ILE 39 3HD1 ILE 39 13.464 0.812 -0.982 322 HD12 ILE 39 1HD1 ILE 39 15.171 0.447 -1.194 323 HD13 ILE 39 2HD1 ILE 39 14.636 2.122 -1.064 324 H VAL 40 H VAL 40 16.454 -2.340 3.431 325 HA VAL 40 HA VAL 40 18.918 -0.629 3.326 326 HB VAL 40 HB VAL 40 18.329 -2.920 5.238 327 HG11 VAL 40 1HG1 VAL 40 20.726 -2.761 4.717 328 HG12 VAL 40 2HG1 VAL 40 20.445 -2.141 6.338 329 HG13 VAL 40 3HG1 VAL 40 20.695 -1.021 4.999 330 HG21 VAL 40 3HG2 VAL 40 17.010 -0.901 5.767 331 HG22 VAL 40 1HG2 VAL 40 18.473 0.081 5.703 332 HG23 VAL 40 2HG2 VAL 40 18.280 -1.137 6.964 333 H GLY 41 H GLY 41 20.512 -1.390 2.060 334 HA2 GLY 41 2HA GLY 41 21.358 -3.953 1.565 335 HA3 GLY 41 1HA GLY 41 20.064 -3.717 0.394 336 H SER 42 H SER 42 21.572 -3.884 -1.317 337 HA SER 42 HA SER 42 23.848 -2.157 -1.603 338 HB2 SER 42 2HB SER 42 22.280 -3.696 -3.695 339 HB3 SER 42 1HB SER 42 23.866 -2.963 -3.935 340 HG SER 42 HG SER 42 24.760 -4.482 -2.730 341 H GLN 43 H GLN 43 24.057 -0.255 -2.804 342 HA GLN 43 HA GLN 43 21.851 1.506 -2.827 343 HB2 GLN 43 2HB GLN 43 24.243 2.202 -2.669 344 HB3 GLN 43 1HB GLN 43 24.465 1.743 -4.353 345 HG2 GLN 43 2HG GLN 43 24.101 4.152 -4.235 346 HG3 GLN 43 1HG GLN 43 22.698 3.421 -4.993 347 HE21 GLN 43 1HE2 GLN 43 21.006 4.792 -4.306 348 HE22 GLN 43 2HE2 GLN 43 20.675 5.150 -2.681 349 H GLU 44 H GLU 44 23.258 -0.562 -5.317 350 HA GLU 44 HA GLU 44 21.960 0.521 -7.568 351 HB2 GLU 44 2HB GLU 44 22.805 -2.343 -7.014 352 HB3 GLU 44 1HB GLU 44 22.372 -1.708 -8.603 353 HG2 GLU 44 2HG GLU 44 24.208 -0.068 -8.457 354 HG3 GLU 44 1HG GLU 44 24.641 -0.682 -6.865 355 H ALA 45 H ALA 45 20.916 -1.970 -5.264 356 HA ALA 45 HA ALA 45 18.532 -2.707 -6.606 357 HB1 ALA 45 1HB ALA 45 17.873 -3.708 -4.480 358 HB2 ALA 45 2HB ALA 45 19.118 -2.790 -3.629 359 HB3 ALA 45 3HB ALA 45 19.578 -4.035 -4.790 360 H MET 46 H MET 46 19.254 -0.179 -4.239 361 HA MET 46 HA MET 46 16.575 0.629 -3.729 362 HB2 MET 46 2HB MET 46 19.167 2.206 -3.566 363 HB3 MET 46 1HB MET 46 17.622 2.733 -2.897 364 HG2 MET 46 2HG MET 46 17.566 0.721 -1.457 365 HG3 MET 46 1HG MET 46 19.116 0.213 -2.111 366 HE1 MET 46 3HE MET 46 20.282 1.215 1.357 367 HE2 MET 46 1HE MET 46 20.260 0.012 0.062 368 HE3 MET 46 2HE MET 46 18.778 0.404 0.928 369 H ASP 47 H ASP 47 18.975 1.631 -6.148 370 HA ASP 47 HA ASP 47 17.540 3.812 -7.215 371 HB2 ASP 47 2HB ASP 47 19.530 1.985 -8.593 372 HB3 ASP 47 1HB ASP 47 19.046 3.590 -9.141 373 H LYS 48 H LYS 48 17.273 0.326 -7.803 374 HA LYS 48 HA LYS 48 15.718 0.565 -10.219 375 HB2 LYS 48 2HB LYS 48 16.190 -1.713 -8.263 376 HB3 LYS 48 1HB LYS 48 15.293 -1.880 -9.773 377 HG2 LYS 48 2HG LYS 48 17.261 -1.246 -11.079 378 HG3 LYS 48 1HG LYS 48 18.170 -0.898 -9.610 379 HD2 LYS 48 2HD LYS 48 18.826 -3.093 -10.461 380 HD3 LYS 48 1HD LYS 48 17.970 -3.288 -8.934 381 HE2 LYS 48 2HE LYS 48 16.370 -3.468 -11.502 382 HE3 LYS 48 1HE LYS 48 17.344 -4.849 -11.003 383 HZ1 LYS 48 3HZ LYS 48 16.091 -4.057 -8.717 384 HZ2 LYS 48 1HZ LYS 48 15.663 -5.378 -9.692 385 HZ3 LYS 48 2HZ LYS 48 14.896 -3.876 -9.910 386 H ILE 49 H ILE 49 15.034 0.106 -6.766 387 HA ILE 49 HA ILE 49 12.144 -0.078 -7.189 388 HB ILE 49 HB ILE 49 13.699 0.153 -4.572 389 HG12 ILE 49 2HG1 ILE 49 12.724 -2.391 -5.969 390 HG13 ILE 49 1HG1 ILE 49 14.390 -1.839 -6.027 391 HG21 ILE 49 1HG2 ILE 49 11.218 0.612 -4.458 392 HG22 ILE 49 2HG2 ILE 49 11.672 -0.845 -3.586 393 HG23 ILE 49 3HG2 ILE 49 10.926 -0.967 -5.178 394 HD11 ILE 49 3HD1 ILE 49 14.127 -3.519 -4.270 395 HD12 ILE 49 1HD1 ILE 49 12.865 -2.553 -3.505 396 HD13 ILE 49 2HD1 ILE 49 14.523 -1.953 -3.559 397 H ASP 50 H ASP 50 10.957 1.703 -7.511 398 HA ASP 50 HA ASP 50 11.779 4.332 -6.342 399 HB2 ASP 50 2HB ASP 50 10.120 3.734 -8.812 400 HB3 ASP 50 1HB ASP 50 10.538 5.340 -8.213 401 H SER 51 H SER 51 9.371 1.871 -6.408 402 HA SER 51 HA SER 51 7.833 3.044 -4.314 403 HB2 SER 51 2HB SER 51 5.715 3.406 -5.588 404 HB3 SER 51 1HB SER 51 6.979 4.516 -6.097 405 HG SER 51 HG SER 51 7.152 3.487 -7.965 406 H ILE 52 H ILE 52 6.785 1.389 -3.280 407 HA ILE 52 HA ILE 52 6.841 -1.295 -4.457 408 HB ILE 52 HB ILE 52 5.698 -0.380 -1.782 409 HG12 ILE 52 2HG1 ILE 52 8.047 0.291 -1.902 410 HG13 ILE 52 1HG1 ILE 52 7.883 -1.080 -0.816 411 HG21 ILE 52 1HG2 ILE 52 6.106 -2.756 -1.138 412 HG22 ILE 52 2HG2 ILE 52 6.600 -3.100 -2.795 413 HG23 ILE 52 3HG2 ILE 52 4.942 -2.614 -2.452 414 HD11 ILE 52 3HD1 ILE 52 8.533 -2.531 -2.906 415 HD12 ILE 52 1HD1 ILE 52 9.791 -1.604 -2.092 416 HD13 ILE 52 2HD1 ILE 52 9.083 -1.001 -3.583 417 H THR 53 H THR 53 5.168 -2.142 -5.596 418 HA THR 53 HA THR 53 2.550 -0.776 -5.622 419 HB THR 53 HB THR 53 3.534 -3.136 -7.294 420 HG1 THR 53 1HG THR 53 3.328 -0.503 -8.220 421 HG21 THR 53 3HG2 THR 53 1.708 -2.469 -8.808 422 HG22 THR 53 1HG2 THR 53 1.266 -1.156 -7.718 423 HG23 THR 53 2HG2 THR 53 1.059 -2.832 -7.211 424 H VAL 54 H VAL 54 0.872 -1.548 -4.431 425 HA VAL 54 HA VAL 54 0.845 -4.382 -3.518 426 HB VAL 54 HB VAL 54 0.134 -1.924 -1.866 427 HG11 VAL 54 1HG1 VAL 54 0.028 -3.587 0.001 428 HG12 VAL 54 2HG1 VAL 54 0.286 -4.884 -1.165 429 HG13 VAL 54 3HG1 VAL 54 -1.181 -3.909 -1.240 430 HG21 VAL 54 3HG2 VAL 54 2.153 -2.514 -0.540 431 HG22 VAL 54 1HG2 VAL 54 2.568 -2.081 -2.196 432 HG23 VAL 54 2HG2 VAL 54 2.544 -3.776 -1.706 433 HA PRO 55 HA PRO 55 -3.251 -3.089 -5.325 434 HB2 PRO 55 2HB PRO 55 -3.806 -5.207 -6.897 435 HB3 PRO 55 1HB PRO 55 -2.547 -4.042 -7.372 436 HG2 PRO 55 2HG PRO 55 -2.213 -6.727 -6.046 437 HG3 PRO 55 1HG PRO 55 -1.324 -6.052 -7.430 438 HD2 PRO 55 2HD PRO 55 -0.367 -5.964 -4.813 439 HD3 PRO 55 1HD PRO 55 0.100 -4.775 -6.049 440 H VAL 56 H VAL 56 -5.288 -3.551 -4.589 441 HA VAL 56 HA VAL 56 -5.705 -5.942 -2.856 442 HB VAL 56 HB VAL 56 -6.611 -3.089 -2.304 443 HG11 VAL 56 1HG1 VAL 56 -7.293 -4.110 -0.082 444 HG12 VAL 56 2HG1 VAL 56 -6.984 -5.700 -0.769 445 HG13 VAL 56 3HG1 VAL 56 -8.256 -4.680 -1.443 446 HG21 VAL 56 3HG2 VAL 56 -5.033 -3.225 -0.403 447 HG22 VAL 56 1HG2 VAL 56 -4.189 -3.404 -1.939 448 HG23 VAL 56 2HG2 VAL 56 -4.515 -4.821 -0.939 449 H ASP 57 H ASP 57 -7.455 -7.063 -3.375 450 HA ASP 57 HA ASP 57 -9.168 -6.347 -5.555 451 HB2 ASP 57 2HB ASP 57 -8.647 -8.690 -4.963 452 HB3 ASP 57 1HB ASP 57 -9.506 -8.502 -3.439 453 H ILE 58 H ILE 58 -10.926 -5.059 -5.501 454 HA ILE 58 HA ILE 58 -12.104 -4.243 -2.911 455 HB ILE 58 HB ILE 58 -13.170 -2.437 -4.318 456 HG12 ILE 58 2HG1 ILE 58 -11.305 -3.452 -6.516 457 HG13 ILE 58 1HG1 ILE 58 -13.034 -3.767 -6.505 458 HG21 ILE 58 1HG2 ILE 58 -11.049 -2.046 -3.105 459 HG22 ILE 58 2HG2 ILE 58 -11.084 -1.146 -4.618 460 HG23 ILE 58 3HG2 ILE 58 -10.145 -2.631 -4.500 461 HD11 ILE 58 3HD1 ILE 58 -13.465 -1.321 -6.488 462 HD12 ILE 58 1HD1 ILE 58 -12.566 -1.834 -7.916 463 HD13 ILE 58 2HD1 ILE 58 -11.727 -1.031 -6.588 464 H SER 59 H SER 59 -12.673 -6.303 -5.553 465 HA SER 59 HA SER 59 -15.449 -6.111 -5.891 466 HB2 SER 59 2HB SER 59 -13.703 -8.571 -6.143 467 HB3 SER 59 1HB SER 59 -15.304 -8.363 -6.848 468 HG SER 59 HG SER 59 -14.414 -6.522 -7.961 469 H GLN 60 H GLN 60 -13.557 -7.959 -3.525 470 HA GLN 60 HA GLN 60 -15.931 -9.214 -2.353 471 HB2 GLN 60 2HB GLN 60 -13.002 -9.238 -1.547 472 HB3 GLN 60 1HB GLN 60 -14.268 -10.205 -0.787 473 HG2 GLN 60 2HG GLN 60 -14.722 -11.321 -2.936 474 HG3 GLN 60 1HG GLN 60 -13.476 -10.350 -3.715 475 HE21 GLN 60 1HE2 GLN 60 -12.759 -12.807 -4.096 476 HE22 GLN 60 2HE2 GLN 60 -11.676 -13.421 -2.941 477 H VAL 61 H VAL 61 -14.518 -6.187 -2.163 478 HA VAL 61 HA VAL 61 -14.998 -5.764 0.725 479 HB VAL 61 HB VAL 61 -13.947 -3.861 -1.398 480 HG11 VAL 61 1HG1 VAL 61 -13.114 -2.585 0.602 481 HG12 VAL 61 2HG1 VAL 61 -14.004 -3.700 1.639 482 HG13 VAL 61 3HG1 VAL 61 -14.873 -2.653 0.522 483 HG21 VAL 61 3HG2 VAL 61 -12.458 -5.820 -1.064 484 HG22 VAL 61 1HG2 VAL 61 -12.475 -5.528 0.677 485 HG23 VAL 61 2HG2 VAL 61 -11.729 -4.356 -0.409 486 H THR 62 H THR 62 -17.061 -5.396 1.258 487 HA THR 62 HA THR 62 -18.708 -3.500 -0.365 488 HB THR 62 HB THR 62 -20.666 -4.867 0.147 489 HG1 THR 62 1HG THR 62 -18.876 -6.756 1.250 490 HG21 THR 62 3HG2 THR 62 -20.119 -6.839 -1.222 491 HG22 THR 62 1HG2 THR 62 -18.398 -6.539 -0.981 492 HG23 THR 62 2HG2 THR 62 -19.372 -5.391 -1.900 493 H GLU 63 H GLU 63 -17.110 -3.893 2.453 494 HA GLU 63 HA GLU 63 -18.760 -1.918 3.860 495 HB2 GLU 63 2HB GLU 63 -18.830 -3.295 5.932 496 HB3 GLU 63 1HB GLU 63 -19.743 -4.027 4.615 497 HG2 GLU 63 2HG GLU 63 -17.811 -5.503 4.105 498 HG3 GLU 63 1HG GLU 63 -16.919 -4.795 5.449 499 H ASP 64 H ASP 64 -17.662 -1.081 5.793 500 HA ASP 64 HA ASP 64 -14.950 -0.447 5.259 501 HB2 ASP 64 2HB ASP 64 -16.488 1.020 6.534 502 HB3 ASP 64 1HB ASP 64 -16.506 -0.150 7.851 503 H THR 65 H THR 65 -13.083 -1.311 5.983 504 HA THR 65 HA THR 65 -12.863 -3.083 8.239 505 HB THR 65 HB THR 65 -13.839 -4.731 6.747 506 HG1 THR 65 1HG THR 65 -11.658 -5.913 6.336 507 HG21 THR 65 3HG2 THR 65 -12.846 -5.244 4.557 508 HG22 THR 65 1HG2 THR 65 -11.674 -3.945 4.767 509 HG23 THR 65 2HG2 THR 65 -13.389 -3.568 4.608 510 H SER 66 H SER 66 -10.608 -4.236 8.096 511 HA SER 66 HA SER 66 -8.561 -2.638 6.711 512 HB2 SER 66 2HB SER 66 -7.375 -2.106 8.778 513 HB3 SER 66 1HB SER 66 -9.005 -1.441 8.858 514 HG SER 66 HG SER 66 -8.312 -3.998 9.870 515 H LYS 67 H LYS 67 -6.668 -3.744 6.418 516 HA LYS 67 HA LYS 67 -6.302 -6.398 7.701 517 HB2 LYS 67 2HB LYS 67 -7.580 -6.670 5.543 518 HB3 LYS 67 1HB LYS 67 -6.186 -6.036 4.681 519 HG2 LYS 67 2HG LYS 67 -4.794 -7.882 5.678 520 HG3 LYS 67 1HG LYS 67 -6.251 -8.543 6.411 521 HD2 LYS 67 2HD LYS 67 -5.853 -8.140 3.418 522 HD3 LYS 67 1HD LYS 67 -5.632 -9.672 4.255 523 HE2 LYS 67 2HE LYS 67 -8.094 -9.396 5.060 524 HE3 LYS 67 1HE LYS 67 -8.225 -8.162 3.806 525 HZ1 LYS 67 3HZ LYS 67 -8.452 -9.738 2.309 526 HZ2 LYS 67 1HZ LYS 67 -8.366 -10.924 3.518 527 HZ3 LYS 67 2HZ LYS 67 -6.949 -10.412 2.732 528 H THR 68 H THR 68 -4.221 -7.032 7.898 529 HA THR 68 HA THR 68 -2.158 -4.989 7.540 530 HB THR 68 HB THR 68 -1.902 -7.834 8.601 531 HG1 THR 68 1HG THR 68 -2.213 -5.383 9.989 532 HG21 THR 68 3HG2 THR 68 0.259 -6.851 7.946 533 HG22 THR 68 1HG2 THR 68 0.131 -6.911 9.703 534 HG23 THR 68 2HG2 THR 68 -0.115 -5.387 8.855 535 H LEU 69 H LEU 69 -0.720 -4.930 5.897 536 HA LEU 69 HA LEU 69 -0.624 -7.182 3.928 537 HB2 LEU 69 2HB LEU 69 -0.151 -4.215 3.437 538 HB3 LEU 69 1HB LEU 69 -0.222 -5.490 2.220 539 HG LEU 69 HG LEU 69 -2.523 -4.597 4.003 540 HD11 LEU 69 1HD1 LEU 69 -3.496 -3.705 1.933 541 HD12 LEU 69 2HD1 LEU 69 -2.090 -4.245 1.021 542 HD13 LEU 69 3HD1 LEU 69 -1.920 -2.971 2.229 543 HD21 LEU 69 3HD2 LEU 69 -2.305 -6.807 1.919 544 HD22 LEU 69 1HD2 LEU 69 -3.864 -6.073 2.311 545 HD23 LEU 69 2HD2 LEU 69 -2.950 -6.903 3.560 546 H GLU 70 H GLU 70 1.248 -8.218 3.922 547 HA GLU 70 HA GLU 70 3.643 -7.085 5.169 548 HB2 GLU 70 2HB GLU 70 3.126 -9.763 3.821 549 HB3 GLU 70 1HB GLU 70 4.609 -9.326 4.668 550 HG2 GLU 70 2HG GLU 70 3.335 -8.982 6.751 551 HG3 GLU 70 1HG GLU 70 1.841 -9.394 5.916 552 H LEU 71 H LEU 71 5.342 -6.234 4.106 553 HA LEU 71 HA LEU 71 5.262 -6.054 1.135 554 HB2 LEU 71 2HB LEU 71 6.921 -4.424 3.104 555 HB3 LEU 71 1HB LEU 71 6.665 -4.089 1.392 556 HG LEU 71 HG LEU 71 4.540 -4.024 3.571 557 HD11 LEU 71 1HD1 LEU 71 4.523 -1.587 3.120 558 HD12 LEU 71 2HD1 LEU 71 5.828 -1.797 1.955 559 HD13 LEU 71 3HD1 LEU 71 6.112 -2.130 3.662 560 HD21 LEU 71 3HD2 LEU 71 3.394 -4.683 1.566 561 HD22 LEU 71 1HD2 LEU 71 4.354 -3.596 0.560 562 HD23 LEU 71 2HD2 LEU 71 3.147 -2.949 1.674 563 H LYS 72 H LYS 72 6.778 -6.972 -0.081 564 HA LYS 72 HA LYS 72 9.314 -7.975 1.117 565 HB2 LYS 72 2HB LYS 72 9.040 -10.075 -0.186 566 HB3 LYS 72 1HB LYS 72 7.786 -9.879 1.036 567 HG2 LYS 72 2HG LYS 72 6.247 -8.991 -0.711 568 HG3 LYS 72 1HG LYS 72 7.493 -9.261 -1.928 569 HD2 LYS 72 2HD LYS 72 7.494 -11.674 -1.408 570 HD3 LYS 72 1HD LYS 72 6.246 -11.413 -0.189 571 HE2 LYS 72 2HE LYS 72 4.709 -10.575 -1.926 572 HE3 LYS 72 1HE LYS 72 5.956 -10.808 -3.152 573 HZ1 LYS 72 3HZ LYS 72 4.121 -12.638 -2.534 574 HZ2 LYS 72 1HZ LYS 72 5.376 -13.119 -1.500 575 HZ3 LYS 72 2HZ LYS 72 5.649 -13.016 -3.172 576 H ALA 73 H ALA 73 11.108 -7.803 -0.190 577 HA ALA 73 HA ALA 73 10.861 -7.160 -3.046 578 HB1 ALA 73 1HB ALA 73 10.703 -4.963 -1.924 579 HB2 ALA 73 2HB ALA 73 12.226 -5.118 -2.799 580 HB3 ALA 73 3HB ALA 73 12.195 -5.301 -1.045 581 H GLU 74 H GLU 74 12.503 -8.154 -4.127 582 HA GLU 74 HA GLU 74 14.571 -9.556 -2.591 583 HB2 GLU 74 2HB GLU 74 13.870 -9.523 -5.547 584 HB3 GLU 74 1HB GLU 74 15.135 -10.531 -4.839 585 HG2 GLU 74 2HG GLU 74 13.475 -11.614 -3.376 586 HG3 GLU 74 1HG GLU 74 12.204 -10.593 -4.038 587 H GLY 75 H GLY 75 16.350 -8.571 -2.051 588 HA2 GLY 75 2HA GLY 75 18.537 -7.860 -3.077 589 HA3 GLY 75 1HA GLY 75 17.641 -6.578 -3.880 590 H VAL 76 H VAL 76 15.943 -6.405 -1.310 591 HA VAL 76 HA VAL 76 17.896 -5.037 0.478 592 HB VAL 76 HB VAL 76 16.335 -3.155 0.707 593 HG11 VAL 76 1HG1 VAL 76 18.141 -3.008 -0.960 594 HG12 VAL 76 2HG1 VAL 76 16.714 -2.130 -1.506 595 HG13 VAL 76 3HG1 VAL 76 17.080 -3.719 -2.175 596 HG21 VAL 76 3HG2 VAL 76 14.449 -2.928 -0.967 597 HG22 VAL 76 1HG2 VAL 76 14.197 -4.252 0.167 598 HG23 VAL 76 2HG2 VAL 76 14.752 -4.592 -1.472 599 H THR 77 H THR 77 17.062 -4.646 2.612 600 HA THR 77 HA THR 77 15.201 -6.773 3.525 601 HB THR 77 HB THR 77 17.145 -5.068 5.137 602 HG1 THR 77 1HG THR 77 18.577 -6.391 4.415 603 HG21 THR 77 3HG2 THR 77 15.602 -7.599 5.807 604 HG22 THR 77 1HG2 THR 77 15.282 -5.995 6.470 605 HG23 THR 77 2HG2 THR 77 16.789 -6.823 6.855 606 H VAL 78 H VAL 78 13.177 -6.102 3.844 607 HA VAL 78 HA VAL 78 12.539 -3.266 4.362 608 HB VAL 78 HB VAL 78 10.112 -4.340 4.108 609 HG11 VAL 78 1HG1 VAL 78 10.206 -4.108 1.654 610 HG12 VAL 78 2HG1 VAL 78 11.966 -4.096 1.735 611 HG13 VAL 78 3HG1 VAL 78 11.039 -2.790 2.481 612 HG21 VAL 78 3HG2 VAL 78 11.784 -6.440 2.681 613 HG22 VAL 78 1HG2 VAL 78 10.037 -6.345 2.746 614 HG23 VAL 78 2HG2 VAL 78 10.939 -6.695 4.210 615 H GLN 79 H GLN 79 11.897 -2.608 6.309 616 HA GLN 79 HA GLN 79 10.724 -4.449 8.242 617 HB2 GLN 79 2HB GLN 79 12.403 -3.946 10.020 618 HB3 GLN 79 1HB GLN 79 13.054 -4.887 8.680 619 HG2 GLN 79 2HG GLN 79 13.982 -2.803 7.685 620 HG3 GLN 79 1HG GLN 79 13.372 -1.891 9.062 621 HE21 GLN 79 1HE2 GLN 79 15.974 -3.907 7.955 622 HE22 GLN 79 2HE2 GLN 79 16.831 -3.947 9.418 623 HA PRO 80 HA PRO 80 9.587 -4.293 10.366 624 HB2 PRO 80 2HB PRO 80 6.994 -3.689 11.002 625 HB3 PRO 80 1HB PRO 80 8.357 -2.994 11.912 626 HG2 PRO 80 2HG PRO 80 6.826 -1.759 9.622 627 HG3 PRO 80 1HG PRO 80 7.188 -1.055 11.217 628 HD2 PRO 80 2HD PRO 80 8.739 -0.455 9.071 629 HD3 PRO 80 1HD PRO 80 9.477 -0.690 10.674 630 H SER 81 H SER 81 8.612 -2.798 7.544 631 HA SER 81 HA SER 81 7.655 -3.481 5.586 632 HB2 SER 81 2HB SER 81 8.144 -5.682 4.894 633 HB3 SER 81 1HB SER 81 9.326 -5.408 6.167 634 HG SER 81 HG SER 81 7.827 -7.395 6.108 635 H THR 82 H THR 82 6.016 -3.306 8.177 636 HA THR 82 HA THR 82 3.518 -4.483 7.069 637 HB THR 82 HB THR 82 2.832 -4.946 9.440 638 HG1 THR 82 1HG THR 82 4.348 -3.480 10.371 639 HG21 THR 82 3HG2 THR 82 3.716 -6.795 8.103 640 HG22 THR 82 1HG2 THR 82 4.289 -6.940 9.766 641 HG23 THR 82 2HG2 THR 82 5.370 -6.333 8.511 642 H VAL 83 H VAL 83 1.809 -3.154 7.193 643 HA VAL 83 HA VAL 83 1.840 -0.686 8.802 644 HB VAL 83 HB VAL 83 1.186 0.690 6.783 645 HG11 VAL 83 1HG1 VAL 83 3.961 -0.547 6.532 646 HG12 VAL 83 2HG1 VAL 83 3.531 0.702 7.700 647 HG13 VAL 83 3HG1 VAL 83 3.457 1.049 5.975 648 HG21 VAL 83 3HG2 VAL 83 0.510 -1.166 5.299 649 HG22 VAL 83 1HG2 VAL 83 2.172 -1.754 5.263 650 HG23 VAL 83 2HG2 VAL 83 1.771 -0.198 4.538 651 H LYS 84 H LYS 84 -0.292 0.230 9.000 652 HA LYS 84 HA LYS 84 -2.456 -1.768 8.590 653 HB2 LYS 84 2HB LYS 84 -2.281 0.695 10.368 654 HB3 LYS 84 1HB LYS 84 -3.661 -0.406 10.279 655 HG2 LYS 84 2HG LYS 84 -2.222 -2.275 11.017 656 HG3 LYS 84 1HG LYS 84 -0.845 -1.175 11.117 657 HD2 LYS 84 2HD LYS 84 -2.037 0.170 12.816 658 HD3 LYS 84 1HD LYS 84 -3.415 -0.927 12.716 659 HE2 LYS 84 2HE LYS 84 -1.978 -2.798 13.460 660 HE3 LYS 84 1HE LYS 84 -0.607 -1.692 13.574 661 HZ1 LYS 84 3HZ LYS 84 -2.879 -0.683 14.955 662 HZ2 LYS 84 1HZ LYS 84 -1.308 -0.963 15.529 663 HZ3 LYS 84 2HZ LYS 84 -2.449 -2.222 15.531 664 H VAL 85 H VAL 85 -4.109 -1.336 7.236 665 HA VAL 85 HA VAL 85 -4.435 1.416 6.147 666 HB VAL 85 HB VAL 85 -3.170 0.000 4.548 667 HG11 VAL 85 1HG1 VAL 85 -4.156 -2.191 5.202 668 HG12 VAL 85 2HG1 VAL 85 -4.221 -1.915 3.463 669 HG13 VAL 85 3HG1 VAL 85 -5.673 -1.723 4.437 670 HG21 VAL 85 3HG2 VAL 85 -4.621 1.792 3.711 671 HG22 VAL 85 1HG2 VAL 85 -6.006 0.700 3.687 672 HG23 VAL 85 2HG2 VAL 85 -4.654 0.425 2.605 673 H ASN 86 H ASN 86 -6.434 2.105 5.924 674 HA ASN 86 HA ASN 86 -8.708 0.303 6.655 675 HB2 ASN 86 2HB ASN 86 -9.814 2.342 7.506 676 HB3 ASN 86 1HB ASN 86 -8.293 2.036 8.339 677 HD21 ASN 86 1HD2 ASN 86 -6.764 3.714 8.332 678 HD22 ASN 86 2HD2 ASN 86 -6.890 5.116 7.381 679 H LEU 87 H LEU 87 -10.181 -0.021 5.127 680 HA LEU 87 HA LEU 87 -10.292 1.724 2.709 681 HB2 LEU 87 2HB LEU 87 -11.310 -1.127 3.057 682 HB3 LEU 87 1HB LEU 87 -11.157 -0.227 1.548 683 HG LEU 87 HG LEU 87 -8.852 -1.092 3.337 684 HD11 LEU 87 1HD1 LEU 87 -9.951 -2.961 2.136 685 HD12 LEU 87 2HD1 LEU 87 -8.322 -2.660 1.544 686 HD13 LEU 87 3HD1 LEU 87 -9.708 -2.106 0.609 687 HD21 LEU 87 3HD2 LEU 87 -8.128 0.913 2.226 688 HD22 LEU 87 1HD2 LEU 87 -8.930 0.468 0.719 689 HD23 LEU 87 2HD2 LEU 87 -7.482 -0.393 1.247 690 H LYS 88 H LYS 88 -11.893 3.203 2.977 691 HA LYS 88 HA LYS 88 -14.356 2.509 4.445 692 HB2 LYS 88 2HB LYS 88 -13.361 5.108 3.221 693 HB3 LYS 88 1HB LYS 88 -14.834 4.929 4.177 694 HG2 LYS 88 2HG LYS 88 -13.494 4.157 6.107 695 HG3 LYS 88 1HG LYS 88 -12.019 4.329 5.153 696 HD2 LYS 88 2HD LYS 88 -12.488 6.757 4.894 697 HD3 LYS 88 1HD LYS 88 -13.933 6.572 5.886 698 HE2 LYS 88 2HE LYS 88 -11.084 6.008 6.774 699 HE3 LYS 88 1HE LYS 88 -12.063 7.395 7.256 700 HZ1 LYS 88 3HZ LYS 88 -12.093 4.712 8.248 701 HZ2 LYS 88 1HZ LYS 88 -13.641 5.241 7.800 702 HZ3 LYS 88 2HZ LYS 88 -12.737 6.127 8.934 703 H VAL 89 H VAL 89 -16.161 1.922 3.402 704 HA VAL 89 HA VAL 89 -16.324 2.130 0.441 705 HB VAL 89 HB VAL 89 -18.075 0.504 2.345 706 HG11 VAL 89 1HG1 VAL 89 -17.512 0.198 -0.632 707 HG12 VAL 89 2HG1 VAL 89 -18.965 0.932 0.038 708 HG13 VAL 89 3HG1 VAL 89 -18.629 -0.773 0.327 709 HG21 VAL 89 3HG2 VAL 89 -16.643 -1.435 1.705 710 HG22 VAL 89 1HG2 VAL 89 -15.744 -0.225 2.618 711 HG23 VAL 89 2HG2 VAL 89 -15.553 -0.330 0.867 712 H THR 90 H THR 90 -17.796 3.484 -0.482 713 HA THR 90 HA THR 90 -19.557 5.095 1.290 714 HB THR 90 HB THR 90 -18.769 5.538 -1.620 715 HG1 THR 90 1HG THR 90 -17.007 6.311 -0.838 716 HG21 THR 90 3HG2 THR 90 -20.055 7.361 0.443 717 HG22 THR 90 1HG2 THR 90 -20.845 6.705 -0.990 718 HG23 THR 90 2HG2 THR 90 -19.526 7.856 -1.164 719 H GLN 91 H GLN 91 -21.640 4.618 1.398 720 HA GLN 91 HA GLN 91 -22.961 2.978 -0.691 721 HB2 GLN 91 2HB GLN 91 -23.739 3.677 2.166 722 HB3 GLN 91 1HB GLN 91 -24.727 2.708 1.074 723 HG2 GLN 91 2HG GLN 91 -23.464 1.198 2.495 724 HG3 GLN 91 1HG GLN 91 -22.808 1.093 0.867 725 HE21 GLN 91 1HE2 GLN 91 -20.660 0.576 1.347 726 HE22 GLN 91 2HE2 GLN 91 -19.637 1.572 2.256 727 H LYS 92 H LYS 92 -24.376 3.898 -2.038 728 HA LYS 92 HA LYS 92 -25.715 6.470 -1.328 729 HB2 LYS 92 2HB LYS 92 -24.563 5.688 -4.022 730 HB3 LYS 92 1HB LYS 92 -25.576 7.100 -3.751 731 HG2 LYS 92 2HG LYS 92 -22.950 6.682 -2.260 732 HG3 LYS 92 1HG LYS 92 -23.032 7.524 -3.803 733 HD2 LYS 92 2HD LYS 92 -24.617 9.170 -2.812 734 HD3 LYS 92 1HD LYS 92 -24.476 8.366 -1.256 735 HE2 LYS 92 2HE LYS 92 -22.061 8.816 -1.215 736 HE3 LYS 92 1HE LYS 92 -22.183 9.622 -2.780 737 HZ1 LYS 92 3HZ LYS 92 -22.562 10.742 -0.285 738 HZ2 LYS 92 1HZ LYS 92 -24.108 10.648 -0.977 739 HZ3 LYS 92 2HZ LYS 92 -22.862 11.465 -1.793 740 H LEU 93 H LEU 93 -27.642 5.620 -0.781 741 HA LEU 93 HA LEU 93 -28.956 3.520 -2.260 742 HB2 LEU 93 2HB LEU 93 -29.751 5.403 -0.016 743 HB3 LEU 93 1HB LEU 93 -30.964 4.381 -0.785 744 HG LEU 93 HG LEU 93 -29.678 2.365 -0.196 745 HD11 LEU 93 1HD1 LEU 93 -27.715 2.628 1.416 746 HD12 LEU 93 2HD1 LEU 93 -27.705 4.344 1.001 747 HD13 LEU 93 3HD1 LEU 93 -27.398 3.129 -0.242 748 HD21 LEU 93 3HD2 LEU 93 -31.342 3.233 1.409 749 HD22 LEU 93 1HD2 LEU 93 -30.100 4.232 2.166 750 HD23 LEU 93 2HD2 LEU 93 -29.996 2.475 2.260 751 H GLU 94 H GLU 94 -29.152 4.142 -4.368 752 HA GLU 94 HA GLU 94 -29.997 6.672 -5.306 753 HB2 GLU 94 2HB GLU 94 -30.457 5.459 -7.447 754 HB3 GLU 94 1HB GLU 94 -28.864 5.097 -6.782 755 HG2 GLU 94 2HG GLU 94 -29.775 3.005 -5.781 756 HG3 GLU 94 1HG GLU 94 -31.342 3.354 -6.505 757 H HIS 95 H HIS 95 -31.732 3.839 -4.219 758 HA HIS 95 HA HIS 95 -33.950 3.378 -3.904 759 HB2 HIS 95 2HB HIS 95 -33.655 5.291 -2.331 760 HB3 HIS 95 1HB HIS 95 -34.159 6.395 -3.606 761 HD2 HIS 95 2HD HIS 95 -35.751 3.780 -1.155 762 HE1 HIS 95 1HE HIS 95 -38.885 5.546 -3.363 763 HE2 HIS 95 2HE HIS 95 -38.338 4.010 -1.415 764 H HIS 96 H HIS 96 -34.122 2.688 -6.129 765 HA HIS 96 HA HIS 96 -34.931 4.349 -8.261 766 HB2 HIS 96 2HB HIS 96 -35.638 2.219 -9.335 767 HB3 HIS 96 1HB HIS 96 -34.032 2.101 -8.620 768 HD2 HIS 96 2HD HIS 96 -37.456 0.358 -8.342 769 HE1 HIS 96 1HE HIS 96 -35.143 -1.007 -5.085 770 HE2 HIS 96 2HE HIS 96 -37.287 -1.374 -6.396 771 H HIS 97 H HIS 97 -36.827 5.325 -8.661 772 HA HIS 97 HA HIS 97 -39.383 4.179 -8.079 773 HB2 HIS 97 2HB HIS 97 -38.757 4.913 -5.782 774 HB3 HIS 97 1HB HIS 97 -38.530 6.555 -6.376 775 HD2 HIS 97 2HD HIS 97 -40.881 8.055 -6.476 776 HE1 HIS 97 1HE HIS 97 -43.597 4.880 -5.867 777 HE2 HIS 97 2HE HIS 97 -43.381 7.399 -6.098 778 H HIS 98 H HIS 98 -40.544 4.859 -9.776 779 HA HIS 98 HA HIS 98 -39.770 7.037 -11.451 780 HB2 HIS 98 2HB HIS 98 -41.931 6.554 -12.605 781 HB3 HIS 98 1HB HIS 98 -40.971 5.100 -12.339 782 HD2 HIS 98 2HD HIS 98 -41.975 3.388 -10.223 783 HE1 HIS 98 1HE HIS 98 -45.730 5.306 -9.987 784 HE2 HIS 98 2HE HIS 98 -44.401 3.266 -9.262 785 H HIS 99 H HIS 99 -40.059 9.160 -10.995 786 HA HIS 99 HA HIS 99 -41.727 10.085 -8.859 787 HB2 HIS 99 2HB HIS 99 -39.659 11.259 -9.602 788 HB3 HIS 99 1HB HIS 99 -40.453 11.676 -11.120 789 HD2 HIS 99 2HD HIS 99 -40.567 12.733 -7.332 790 HE1 HIS 99 1HE HIS 99 -43.126 15.313 -9.480 791 HE2 HIS 99 2HE HIS 99 -42.051 14.879 -7.222 792 H HIS 100 H HIS 100 -43.825 10.677 -8.891 793 HA HIS 100 HA HIS 100 -45.518 10.128 -11.091 794 HB2 HIS 100 2HB HIS 100 -46.050 11.871 -8.662 795 HB3 HIS 100 1HB HIS 100 -47.274 11.185 -9.733 796 HD2 HIS 100 2HD HIS 100 -45.249 10.160 -6.622 797 HE1 HIS 100 1HE HIS 100 -46.991 6.624 -8.131 798 HE2 HIS 100 2HE HIS 100 -45.745 7.638 -6.164 Start of MODEL 9 1 H1 LYS 1 1HT LYS 1 42.252 -0.858 8.349 2 H2 LYS 1 2HT LYS 1 41.163 0.437 8.496 3 H3 LYS 1 3HT LYS 1 42.795 0.734 8.126 4 HA LYS 1 HA LYS 1 41.786 0.961 6.075 5 HB2 LYS 1 2HB LYS 1 42.591 -1.957 6.368 6 HB3 LYS 1 1HB LYS 1 42.399 -1.119 4.826 7 HG2 LYS 1 2HG LYS 1 44.156 0.492 5.478 8 HG3 LYS 1 1HG LYS 1 44.355 -0.347 7.018 9 HD2 LYS 1 2HD LYS 1 45.017 -2.402 5.828 10 HD3 LYS 1 1HD LYS 1 44.799 -1.586 4.280 11 HE2 LYS 1 2HE LYS 1 47.177 -1.592 4.924 12 HE3 LYS 1 1HE LYS 1 46.548 0.056 4.904 13 HZ1 LYS 1 2HZ LYS 1 47.860 -1.063 6.969 14 HZ2 LYS 1 3HZ LYS 1 46.243 -1.307 7.429 15 HZ3 LYS 1 1HZ LYS 1 46.803 0.261 7.102 16 H ILE 2 H ILE 2 40.541 -1.915 7.757 17 HA ILE 2 HA ILE 2 38.311 -2.350 6.052 18 HB ILE 2 HB ILE 2 37.429 -3.713 7.960 19 HG12 ILE 2 2HG1 ILE 2 39.935 -2.761 9.426 20 HG13 ILE 2 1HG1 ILE 2 38.312 -2.196 9.794 21 HG21 ILE 2 1HG2 ILE 2 40.393 -4.118 7.405 22 HG22 ILE 2 2HG2 ILE 2 39.084 -4.649 6.350 23 HG23 ILE 2 3HG2 ILE 2 39.264 -5.357 7.951 24 HD11 ILE 2 3HD1 ILE 2 37.631 -4.557 10.264 25 HD12 ILE 2 1HD1 ILE 2 38.885 -3.963 11.352 26 HD13 ILE 2 2HD1 ILE 2 39.308 -5.048 10.030 27 H SER 3 H SER 3 36.023 -2.177 6.861 28 HA SER 3 HA SER 3 35.379 0.034 8.640 29 HB2 SER 3 2HB SER 3 34.741 0.224 5.679 30 HB3 SER 3 1HB SER 3 34.212 1.351 6.928 31 HG SER 3 HG SER 3 36.486 1.337 5.571 32 H LEU 4 H LEU 4 33.031 0.252 8.896 33 HA LEU 4 HA LEU 4 31.373 -1.944 7.849 34 HB2 LEU 4 2HB LEU 4 32.611 -2.545 10.115 35 HB3 LEU 4 1HB LEU 4 31.409 -1.494 10.854 36 HG LEU 4 HG LEU 4 30.868 -3.982 9.180 37 HD11 LEU 4 1HD1 LEU 4 29.958 -4.880 11.282 38 HD12 LEU 4 2HD1 LEU 4 30.360 -3.377 12.110 39 HD13 LEU 4 3HD1 LEU 4 31.646 -4.414 11.488 40 HD21 LEU 4 3HD2 LEU 4 28.433 -3.532 9.957 41 HD22 LEU 4 1HD2 LEU 4 29.064 -2.526 8.662 42 HD23 LEU 4 2HD2 LEU 4 28.970 -1.886 10.303 43 H ARG 5 H ARG 5 29.605 -0.983 7.163 44 HA ARG 5 HA ARG 5 27.982 0.752 8.750 45 HB2 ARG 5 2HB ARG 5 28.172 2.767 7.307 46 HB3 ARG 5 1HB ARG 5 29.684 2.407 8.139 47 HG2 ARG 5 2HG ARG 5 30.528 1.271 6.091 48 HG3 ARG 5 1HG ARG 5 29.032 1.681 5.254 49 HD2 ARG 5 2HD ARG 5 29.486 4.082 5.618 50 HD3 ARG 5 1HD ARG 5 30.995 3.659 6.425 51 HE ARG 5 HE ARG 5 31.954 3.262 4.350 52 HH11 ARG 5 1HH2 ARG 5 28.492 3.315 4.065 53 HH12 ARG 5 2HH2 ARG 5 28.500 3.236 2.336 54 HH21 ARG 5 1HH1 ARG 5 31.956 3.149 2.084 55 HH22 ARG 5 2HH1 ARG 5 30.456 3.141 1.217 56 H LYS 6 H LYS 6 25.997 1.304 7.671 57 HA LYS 6 HA LYS 6 25.434 -0.101 5.116 58 HB2 LYS 6 2HB LYS 6 23.309 -0.932 6.124 59 HB3 LYS 6 1HB LYS 6 24.736 -1.614 6.902 60 HG2 LYS 6 2HG LYS 6 24.540 0.088 8.717 61 HG3 LYS 6 1HG LYS 6 23.071 0.704 7.958 62 HD2 LYS 6 2HD LYS 6 22.007 -1.513 8.219 63 HD3 LYS 6 1HD LYS 6 23.472 -2.123 8.989 64 HE2 LYS 6 2HE LYS 6 21.752 0.155 10.021 65 HE3 LYS 6 1HE LYS 6 21.800 -1.480 10.681 66 HZ1 LYS 6 3HZ LYS 6 24.316 -1.028 10.855 67 HZ2 LYS 6 1HZ LYS 6 23.279 -0.356 12.017 68 HZ3 LYS 6 2HZ LYS 6 23.872 0.610 10.753 69 H LEU 7 H LEU 7 23.904 0.885 3.852 70 HA LEU 7 HA LEU 7 23.141 3.650 4.590 71 HB2 LEU 7 2HB LEU 7 22.993 2.236 1.900 72 HB3 LEU 7 1HB LEU 7 22.769 3.962 2.200 73 HG LEU 7 HG LEU 7 25.344 2.407 2.670 74 HD11 LEU 7 1HD1 LEU 7 26.187 3.732 0.738 75 HD12 LEU 7 2HD1 LEU 7 24.572 4.404 0.513 76 HD13 LEU 7 3HD1 LEU 7 24.848 2.678 0.291 77 HD21 LEU 7 3HD2 LEU 7 24.601 5.326 3.125 78 HD22 LEU 7 1HD2 LEU 7 26.278 4.845 2.843 79 HD23 LEU 7 2HD2 LEU 7 25.408 4.212 4.231 80 H SER 8 H SER 8 20.993 4.265 3.470 81 HA SER 8 HA SER 8 18.912 2.237 3.509 82 HB2 SER 8 2HB SER 8 19.166 2.615 5.910 83 HB3 SER 8 1HB SER 8 19.012 4.354 5.673 84 HG SER 8 HG SER 8 16.962 3.364 4.468 85 H LYS 9 H LYS 9 16.916 2.996 2.782 86 HA LYS 9 HA LYS 9 16.675 5.767 1.833 87 HB2 LYS 9 2HB LYS 9 16.546 3.321 0.039 88 HB3 LYS 9 1HB LYS 9 15.901 4.889 -0.441 89 HG2 LYS 9 2HG LYS 9 18.810 4.504 0.359 90 HG3 LYS 9 1HG LYS 9 18.247 4.330 -1.290 91 HD2 LYS 9 2HD LYS 9 17.402 6.673 -1.233 92 HD3 LYS 9 1HD LYS 9 18.043 6.858 0.393 93 HE2 LYS 9 2HE LYS 9 19.735 6.139 -2.016 94 HE3 LYS 9 1HE LYS 9 19.588 7.760 -1.338 95 HZ1 LYS 9 3HZ LYS 9 21.324 7.114 -0.105 96 HZ2 LYS 9 1HZ LYS 9 21.021 5.459 -0.324 97 HZ3 LYS 9 2HZ LYS 9 20.151 6.334 0.845 98 H SER 10 H SER 10 14.564 6.169 0.933 99 HA SER 10 HA SER 10 12.426 4.658 2.363 100 HB2 SER 10 2HB SER 10 11.196 6.759 2.444 101 HB3 SER 10 1HB SER 10 12.790 6.983 3.166 102 HG SER 10 HG SER 10 13.478 7.869 1.184 103 H VAL 11 H VAL 11 10.812 3.861 1.193 104 HA VAL 11 HA VAL 11 10.476 4.601 -1.677 105 HB VAL 11 HB VAL 11 9.796 2.066 -1.895 106 HG11 VAL 11 1HG1 VAL 11 12.715 2.830 -1.531 107 HG12 VAL 11 2HG1 VAL 11 11.773 3.049 -3.005 108 HG13 VAL 11 3HG1 VAL 11 12.116 1.427 -2.416 109 HG21 VAL 11 3HG2 VAL 11 11.654 1.899 0.520 110 HG22 VAL 11 1HG2 VAL 11 10.951 0.547 -0.363 111 HG23 VAL 11 2HG2 VAL 11 9.921 1.609 0.585 112 HA PRO 12 HA PRO 12 6.458 5.249 0.545 113 HB2 PRO 12 2HB PRO 12 5.863 6.634 -2.080 114 HB3 PRO 12 1HB PRO 12 5.514 7.187 -0.422 115 HG2 PRO 12 2HG PRO 12 7.533 8.275 -1.745 116 HG3 PRO 12 1HG PRO 12 7.751 7.821 -0.038 117 HD2 PRO 12 2HD PRO 12 8.677 6.304 -2.502 118 HD3 PRO 12 1HD PRO 12 9.564 6.653 -0.998 119 H VAL 13 H VAL 13 4.540 4.151 0.343 120 HA VAL 13 HA VAL 13 4.407 2.047 -1.718 121 HB VAL 13 HB VAL 13 2.668 2.420 0.761 122 HG11 VAL 13 1HG1 VAL 13 2.245 -0.003 0.456 123 HG12 VAL 13 2HG1 VAL 13 3.261 0.000 -0.988 124 HG13 VAL 13 3HG1 VAL 13 1.746 0.902 -0.974 125 HG21 VAL 13 3HG2 VAL 13 5.050 2.232 1.405 126 HG22 VAL 13 1HG2 VAL 13 5.213 0.792 0.401 127 HG23 VAL 13 2HG2 VAL 13 4.177 0.765 1.827 128 H LYS 14 H LYS 14 2.890 2.016 -3.291 129 HA LYS 14 HA LYS 14 0.809 4.172 -3.359 130 HB2 LYS 14 2HB LYS 14 2.242 2.734 -5.625 131 HB3 LYS 14 1HB LYS 14 0.954 3.923 -5.828 132 HG2 LYS 14 2HG LYS 14 2.340 5.623 -4.685 133 HG3 LYS 14 1HG LYS 14 3.630 4.437 -4.481 134 HD2 LYS 14 2HD LYS 14 3.809 4.208 -6.937 135 HD3 LYS 14 1HD LYS 14 2.520 5.394 -7.143 136 HE2 LYS 14 2HE LYS 14 3.903 7.095 -5.991 137 HE3 LYS 14 1HE LYS 14 5.194 5.907 -5.796 138 HZ1 LYS 14 3HZ LYS 14 4.089 6.884 -8.374 139 HZ2 LYS 14 1HZ LYS 14 5.286 5.695 -8.216 140 HZ3 LYS 14 2HZ LYS 14 5.602 7.288 -7.715 141 H LEU 15 H LEU 15 -1.264 3.482 -3.371 142 HA LEU 15 HA LEU 15 -1.836 0.584 -3.502 143 HB2 LEU 15 2HB LEU 15 -2.655 2.093 -1.593 144 HB3 LEU 15 1HB LEU 15 -3.714 2.865 -2.767 145 HG LEU 15 HG LEU 15 -4.500 0.330 -3.266 146 HD11 LEU 15 1HD1 LEU 15 -3.509 0.134 -0.396 147 HD12 LEU 15 2HD1 LEU 15 -2.822 -0.731 -1.770 148 HD13 LEU 15 3HD1 LEU 15 -4.466 -1.082 -1.242 149 HD21 LEU 15 3HD2 LEU 15 -5.997 2.086 -2.391 150 HD22 LEU 15 1HD2 LEU 15 -5.359 1.836 -0.766 151 HD23 LEU 15 2HD2 LEU 15 -6.287 0.562 -1.557 152 H GLU 16 H GLU 16 -2.845 -0.321 -5.231 153 HA GLU 16 HA GLU 16 -4.115 1.463 -7.275 154 HB2 GLU 16 2HB GLU 16 -2.530 -1.089 -7.727 155 HB3 GLU 16 1HB GLU 16 -3.321 -0.130 -8.977 156 HG2 GLU 16 2HG GLU 16 -1.121 0.904 -7.145 157 HG3 GLU 16 1HG GLU 16 -0.870 0.356 -8.801 158 H LEU 17 H LEU 17 -6.234 1.196 -7.022 159 HA LEU 17 HA LEU 17 -7.486 -1.128 -5.981 160 HB2 LEU 17 2HB LEU 17 -9.575 -0.063 -6.698 161 HB3 LEU 17 1HB LEU 17 -8.518 1.074 -5.873 162 HG LEU 17 HG LEU 17 -7.731 1.419 -8.561 163 HD11 LEU 17 1HD1 LEU 17 -10.761 1.187 -8.572 164 HD12 LEU 17 2HD1 LEU 17 -9.681 -0.026 -9.250 165 HD13 LEU 17 3HD1 LEU 17 -9.712 1.601 -9.930 166 HD21 LEU 17 3HD2 LEU 17 -8.950 3.560 -8.475 167 HD22 LEU 17 1HD2 LEU 17 -8.160 3.240 -6.929 168 HD23 LEU 17 2HD2 LEU 17 -9.896 2.980 -7.102 169 H THR 18 H THR 18 -8.071 -2.973 -6.947 170 HA THR 18 HA THR 18 -8.084 -3.185 -9.923 171 HB THR 18 HB THR 18 -7.076 -5.293 -7.977 172 HG1 THR 18 1HG THR 18 -5.313 -4.195 -8.030 173 HG21 THR 18 3HG2 THR 18 -6.983 -5.091 -11.006 174 HG22 THR 18 1HG2 THR 18 -7.958 -6.228 -10.074 175 HG23 THR 18 2HG2 THR 18 -6.202 -6.349 -10.050 176 H GLY 19 H GLY 19 -9.786 -4.200 -10.749 177 HA2 GLY 19 2HA GLY 19 -11.483 -5.957 -10.684 178 HA3 GLY 19 1HA GLY 19 -11.732 -5.625 -8.974 179 H ASP 20 H ASP 20 -13.871 -5.679 -10.654 180 HA ASP 20 HA ASP 20 -14.589 -2.961 -11.501 181 HB2 ASP 20 2HB ASP 20 -16.167 -5.554 -11.450 182 HB3 ASP 20 1HB ASP 20 -16.721 -4.041 -12.166 183 H LYS 21 H LYS 21 -15.805 -1.560 -10.319 184 HA LYS 21 HA LYS 21 -16.212 -1.936 -7.546 185 HB2 LYS 21 2HB LYS 21 -17.464 0.181 -7.659 186 HB3 LYS 21 1HB LYS 21 -15.947 0.285 -8.554 187 HG2 LYS 21 2HG LYS 21 -17.274 -0.276 -10.669 188 HG3 LYS 21 1HG LYS 21 -18.741 -0.078 -9.720 189 HD2 LYS 21 2HD LYS 21 -16.611 2.045 -10.195 190 HD3 LYS 21 1HD LYS 21 -18.201 1.985 -10.954 191 HE2 LYS 21 2HE LYS 21 -17.549 2.535 -8.036 192 HE3 LYS 21 1HE LYS 21 -18.441 3.554 -9.160 193 HZ1 LYS 21 3HZ LYS 21 -19.324 1.178 -7.703 194 HZ2 LYS 21 1HZ LYS 21 -19.976 1.439 -9.248 195 HZ3 LYS 21 2HZ LYS 21 -20.157 2.621 -8.040 196 H ALA 22 H ALA 22 -17.943 -2.630 -6.372 197 HA ALA 22 HA ALA 22 -19.896 -4.284 -7.611 198 HB1 ALA 22 1HB ALA 22 -19.910 -3.135 -4.804 199 HB2 ALA 22 2HB ALA 22 -19.142 -4.640 -5.293 200 HB3 ALA 22 3HB ALA 22 -20.895 -4.477 -5.377 201 H SER 23 H SER 23 -22.289 -4.014 -7.124 202 HA SER 23 HA SER 23 -23.184 -1.532 -8.364 203 HB2 SER 23 2HB SER 23 -24.162 -3.706 -8.991 204 HB3 SER 23 1HB SER 23 -24.786 -3.896 -7.354 205 HG SER 23 HG SER 23 -26.063 -2.092 -7.663 206 H ASN 24 H ASN 24 -23.010 -2.829 -5.136 207 HA ASN 24 HA ASN 24 -24.993 -0.999 -4.018 208 HB2 ASN 24 2HB ASN 24 -24.386 -2.075 -1.879 209 HB3 ASN 24 1HB ASN 24 -24.777 -3.263 -3.119 210 HD21 ASN 24 1HD2 ASN 24 -22.175 -1.983 -1.121 211 HD22 ASN 24 2HD2 ASN 24 -21.013 -3.133 -1.581 212 H VAL 25 H VAL 25 -21.682 -0.797 -4.789 213 HA VAL 25 HA VAL 25 -21.179 1.328 -2.747 214 HB VAL 25 HB VAL 25 -19.669 -0.700 -2.820 215 HG11 VAL 25 1HG1 VAL 25 -19.681 -0.833 -5.394 216 HG12 VAL 25 2HG1 VAL 25 -18.116 -1.049 -4.624 217 HG13 VAL 25 3HG1 VAL 25 -18.522 0.489 -5.384 218 HG21 VAL 25 3HG2 VAL 25 -18.926 1.466 -1.863 219 HG22 VAL 25 1HG2 VAL 25 -18.337 1.960 -3.450 220 HG23 VAL 25 2HG2 VAL 25 -17.596 0.597 -2.616 221 H SER 26 H SER 26 -21.001 3.381 -3.393 222 HA SER 26 HA SER 26 -21.192 4.075 -6.236 223 HB2 SER 26 2HB SER 26 -22.574 5.255 -4.560 224 HB3 SER 26 1HB SER 26 -21.113 5.840 -3.768 225 HG SER 26 HG SER 26 -22.242 6.532 -6.232 226 H SER 27 H SER 27 -18.916 4.349 -3.539 227 HA SER 27 HA SER 27 -16.649 4.606 -5.339 228 HB2 SER 27 2HB SER 27 -15.884 6.764 -4.482 229 HB3 SER 27 1HB SER 27 -17.484 6.950 -5.201 230 HG SER 27 HG SER 27 -17.305 7.946 -3.132 231 H ILE 28 H ILE 28 -14.609 4.549 -4.183 232 HA ILE 28 HA ILE 28 -14.738 3.586 -1.364 233 HB ILE 28 HB ILE 28 -13.123 2.329 -3.621 234 HG12 ILE 28 2HG1 ILE 28 -15.380 1.164 -1.936 235 HG13 ILE 28 1HG1 ILE 28 -15.606 1.787 -3.568 236 HG21 ILE 28 1HG2 ILE 28 -12.499 0.647 -1.819 237 HG22 ILE 28 2HG2 ILE 28 -13.266 1.701 -0.637 238 HG23 ILE 28 3HG2 ILE 28 -11.846 2.251 -1.520 239 HD11 ILE 28 3HD1 ILE 28 -15.350 -0.617 -3.694 240 HD12 ILE 28 1HD1 ILE 28 -13.863 -0.550 -2.753 241 HD13 ILE 28 2HD1 ILE 28 -13.909 0.128 -4.381 242 H SER 29 H SER 29 -13.147 4.294 -0.075 243 HA SER 29 HA SER 29 -10.930 5.949 -1.197 244 HB2 SER 29 2HB SER 29 -12.552 6.453 1.321 245 HB3 SER 29 1HB SER 29 -11.158 7.392 0.791 246 HG SER 29 HG SER 29 -13.742 7.217 -0.291 247 H TYR 30 H TYR 30 -8.989 5.897 0.054 248 HA TYR 30 HA TYR 30 -8.772 3.818 2.156 249 HB2 TYR 30 2HB TYR 30 -6.761 2.892 1.037 250 HB3 TYR 30 1HB TYR 30 -8.215 2.676 0.061 251 HD1 TYR 30 2HD TYR 30 -5.058 4.604 0.403 252 HD2 TYR 30 1HD TYR 30 -8.536 3.928 -2.037 253 HE1 TYR 30 2HE TYR 30 -4.009 5.867 -1.451 254 HE2 TYR 30 1HE TYR 30 -7.480 5.195 -3.886 255 HH TYR 30 HH TYR 30 -5.151 5.782 -4.614 256 H SER 31 H SER 31 -6.985 4.051 3.510 257 HA SER 31 HA SER 31 -5.223 6.391 3.228 258 HB2 SER 31 2HB SER 31 -5.867 7.351 5.368 259 HB3 SER 31 1HB SER 31 -7.304 7.228 4.355 260 HG SER 31 HG SER 31 -8.065 5.671 5.603 261 H PHE 32 H PHE 32 -3.563 6.429 4.884 262 HA PHE 32 HA PHE 32 -3.084 3.924 6.378 263 HB2 PHE 32 2HB PHE 32 -0.762 3.817 5.381 264 HB3 PHE 32 1HB PHE 32 -2.050 3.452 4.235 265 HD1 PHE 32 2HD PHE 32 0.218 6.196 5.416 266 HD2 PHE 32 1HD PHE 32 -2.377 4.835 2.261 267 HE1 PHE 32 2HE PHE 32 0.989 8.050 3.975 268 HE2 PHE 32 1HE PHE 32 -1.600 6.699 0.831 269 HZ PHE 32 HZ PHE 32 0.082 8.304 1.684 270 H ASP 33 H ASP 33 -1.695 4.182 8.113 271 HA ASP 33 HA ASP 33 -1.478 6.815 9.225 272 HB2 ASP 33 2HB ASP 33 -1.761 4.787 10.609 273 HB3 ASP 33 1HB ASP 33 -0.174 4.218 10.100 274 H ARG 34 H ARG 34 0.762 4.647 7.538 275 HA ARG 34 HA ARG 34 2.588 6.830 6.955 276 HB2 ARG 34 2HB ARG 34 4.570 5.417 7.943 277 HB3 ARG 34 1HB ARG 34 3.600 6.375 9.061 278 HG2 ARG 34 2HG ARG 34 2.297 4.417 9.722 279 HG3 ARG 34 1HG ARG 34 3.093 3.422 8.508 280 HD2 ARG 34 2HD ARG 34 4.085 3.021 10.713 281 HD3 ARG 34 1HD ARG 34 5.263 3.784 9.646 282 HE ARG 34 HE ARG 34 3.859 5.775 11.112 283 HH11 ARG 34 1HH2 ARG 34 6.210 3.249 11.493 284 HH12 ARG 34 2HH2 ARG 34 7.021 4.021 12.814 285 HH21 ARG 34 1HH1 ARG 34 4.924 6.783 12.839 286 HH22 ARG 34 2HH1 ARG 34 6.294 6.019 13.575 287 H GLY 35 H GLY 35 2.041 6.314 4.839 288 HA2 GLY 35 2HA GLY 35 2.361 3.682 3.717 289 HA3 GLY 35 1HA GLY 35 2.062 5.177 2.839 290 H HIS 36 H HIS 36 4.796 4.555 5.035 291 HA HIS 36 HA HIS 36 6.672 4.314 2.774 292 HB2 HIS 36 2HB HIS 36 8.123 6.092 3.778 293 HB3 HIS 36 1HB HIS 36 6.583 6.730 3.198 294 HD2 HIS 36 2HD HIS 36 4.963 7.873 5.184 295 HE1 HIS 36 1HE HIS 36 7.318 6.750 8.504 296 HE2 HIS 36 2HE HIS 36 5.293 8.093 7.766 297 H VAL 37 H VAL 37 8.356 3.021 3.258 298 HA VAL 37 HA VAL 37 8.841 2.163 6.072 299 HB VAL 37 HB VAL 37 9.234 -0.136 5.190 300 HG11 VAL 37 1HG1 VAL 37 7.036 0.470 6.142 301 HG12 VAL 37 2HG1 VAL 37 6.853 -0.703 4.838 302 HG13 VAL 37 3HG1 VAL 37 6.488 0.998 4.550 303 HG21 VAL 37 3HG2 VAL 37 8.128 1.032 2.601 304 HG22 VAL 37 1HG2 VAL 37 8.405 -0.685 2.897 305 HG23 VAL 37 2HG2 VAL 37 9.767 0.430 2.843 306 H THR 38 H THR 38 11.019 1.237 6.358 307 HA THR 38 HA THR 38 13.030 2.692 4.718 308 HB THR 38 HB THR 38 13.326 1.385 7.462 309 HG1 THR 38 1HG THR 38 12.045 2.992 7.951 310 HG21 THR 38 3HG2 THR 38 15.311 2.817 7.629 311 HG22 THR 38 1HG2 THR 38 14.969 3.504 6.042 312 HG23 THR 38 2HG2 THR 38 15.438 1.810 6.187 313 H ILE 39 H ILE 39 14.474 1.563 3.517 314 HA ILE 39 HA ILE 39 14.589 -1.411 3.733 315 HB ILE 39 HB ILE 39 14.991 -1.413 1.296 316 HG12 ILE 39 2HG1 ILE 39 14.387 1.568 1.436 317 HG13 ILE 39 1HG1 ILE 39 15.983 0.901 1.136 318 HG21 ILE 39 1HG2 ILE 39 12.475 0.144 2.022 319 HG22 ILE 39 2HG2 ILE 39 12.666 -1.588 2.248 320 HG23 ILE 39 3HG2 ILE 39 12.686 -0.914 0.627 321 HD11 ILE 39 3HD1 ILE 39 15.035 -0.267 -0.885 322 HD12 ILE 39 1HD1 ILE 39 15.019 1.494 -0.984 323 HD13 ILE 39 2HD1 ILE 39 13.536 0.623 -0.614 324 H VAL 40 H VAL 40 16.549 -2.392 3.548 325 HA VAL 40 HA VAL 40 19.002 -0.682 3.512 326 HB VAL 40 HB VAL 40 18.453 -3.052 5.335 327 HG11 VAL 40 1HG1 VAL 40 20.813 -1.143 5.145 328 HG12 VAL 40 2HG1 VAL 40 20.839 -2.862 4.753 329 HG13 VAL 40 3HG1 VAL 40 20.590 -2.344 6.414 330 HG21 VAL 40 3HG2 VAL 40 18.604 -0.071 5.924 331 HG22 VAL 40 1HG2 VAL 40 18.460 -1.340 7.141 332 HG23 VAL 40 2HG2 VAL 40 17.151 -1.065 5.994 333 H GLY 41 H GLY 41 20.593 -1.391 2.219 334 HA2 GLY 41 2HA GLY 41 21.450 -3.913 1.605 335 HA3 GLY 41 1HA GLY 41 20.137 -3.655 0.460 336 H SER 42 H SER 42 21.688 -3.771 -1.246 337 HA SER 42 HA SER 42 23.860 -1.875 -1.479 338 HB2 SER 42 2HB SER 42 22.550 -3.653 -3.555 339 HB3 SER 42 1HB SER 42 24.063 -2.774 -3.767 340 HG SER 42 HG SER 42 24.855 -4.570 -2.977 341 H GLN 43 H GLN 43 23.963 -0.062 -2.833 342 HA GLN 43 HA GLN 43 21.617 1.523 -3.045 343 HB2 GLN 43 2HB GLN 43 24.299 1.828 -4.433 344 HB3 GLN 43 1HB GLN 43 23.062 3.082 -4.336 345 HG2 GLN 43 2HG GLN 43 24.381 1.788 -1.920 346 HG3 GLN 43 1HG GLN 43 24.867 3.338 -2.603 347 HE21 GLN 43 1HE2 GLN 43 22.827 1.926 -0.278 348 HE22 GLN 43 2HE2 GLN 43 21.788 3.248 -0.036 349 H GLU 44 H GLU 44 23.216 -0.670 -5.256 350 HA GLU 44 HA GLU 44 22.042 0.151 -7.673 351 HB2 GLU 44 2HB GLU 44 22.834 -2.646 -6.801 352 HB3 GLU 44 1HB GLU 44 22.549 -2.133 -8.465 353 HG2 GLU 44 2HG GLU 44 24.385 -0.484 -8.269 354 HG3 GLU 44 1HG GLU 44 24.674 -1.005 -6.611 355 H ALA 45 H ALA 45 20.918 -2.206 -5.256 356 HA ALA 45 HA ALA 45 18.551 -2.965 -6.655 357 HB1 ALA 45 1HB ALA 45 17.871 -3.974 -4.535 358 HB2 ALA 45 2HB ALA 45 19.132 -3.084 -3.679 359 HB3 ALA 45 3HB ALA 45 19.570 -4.324 -4.854 360 H MET 46 H MET 46 19.249 -0.500 -4.204 361 HA MET 46 HA MET 46 16.555 0.313 -3.755 362 HB2 MET 46 2HB MET 46 19.187 1.792 -3.394 363 HB3 MET 46 1HB MET 46 17.632 2.404 -2.832 364 HG2 MET 46 2HG MET 46 17.353 0.382 -1.428 365 HG3 MET 46 1HG MET 46 18.922 -0.206 -1.973 366 HE1 MET 46 3HE MET 46 19.805 -0.507 0.295 367 HE2 MET 46 1HE MET 46 18.338 0.063 1.102 368 HE3 MET 46 2HE MET 46 19.912 0.702 1.570 369 H ASP 47 H ASP 47 19.066 1.414 -6.017 370 HA ASP 47 HA ASP 47 17.672 3.628 -7.067 371 HB2 ASP 47 2HB ASP 47 20.098 3.253 -7.342 372 HB3 ASP 47 1HB ASP 47 19.765 1.871 -8.381 373 H LYS 48 H LYS 48 17.518 0.176 -7.796 374 HA LYS 48 HA LYS 48 16.100 0.448 -10.279 375 HB2 LYS 48 2HB LYS 48 17.496 -1.555 -9.426 376 HB3 LYS 48 1HB LYS 48 16.102 -1.980 -8.442 377 HG2 LYS 48 2HG LYS 48 15.633 -3.255 -10.377 378 HG3 LYS 48 1HG LYS 48 14.771 -1.771 -10.767 379 HD2 LYS 48 2HD LYS 48 15.987 -2.119 -12.769 380 HD3 LYS 48 1HD LYS 48 17.096 -1.060 -11.904 381 HE2 LYS 48 2HE LYS 48 18.294 -3.127 -11.059 382 HE3 LYS 48 1HE LYS 48 17.261 -4.089 -12.112 383 HZ1 LYS 48 3HZ LYS 48 19.302 -2.088 -12.850 384 HZ2 LYS 48 1HZ LYS 48 18.063 -2.505 -13.931 385 HZ3 LYS 48 2HZ LYS 48 19.144 -3.695 -13.380 386 H ILE 49 H ILE 49 15.232 -0.006 -6.900 387 HA ILE 49 HA ILE 49 12.352 -0.199 -7.456 388 HB ILE 49 HB ILE 49 13.850 -0.110 -4.802 389 HG12 ILE 49 2HG1 ILE 49 12.746 -2.539 -6.299 390 HG13 ILE 49 1HG1 ILE 49 14.444 -2.075 -6.328 391 HG21 ILE 49 1HG2 ILE 49 11.735 -1.108 -3.908 392 HG22 ILE 49 2HG2 ILE 49 11.006 -0.948 -5.503 393 HG23 ILE 49 3HG2 ILE 49 11.454 0.489 -4.591 394 HD11 ILE 49 3HD1 ILE 49 14.107 -3.797 -4.633 395 HD12 ILE 49 1HD1 ILE 49 12.850 -2.832 -3.860 396 HD13 ILE 49 2HD1 ILE 49 14.524 -2.275 -3.846 397 H ASP 50 H ASP 50 11.206 1.596 -7.767 398 HA ASP 50 HA ASP 50 12.084 4.210 -6.667 399 HB2 ASP 50 2HB ASP 50 11.646 4.025 -9.104 400 HB3 ASP 50 1HB ASP 50 9.982 3.558 -8.761 401 H SER 51 H SER 51 9.633 1.776 -6.430 402 HA SER 51 HA SER 51 8.521 2.851 -4.018 403 HB2 SER 51 2HB SER 51 6.756 2.976 -6.491 404 HB3 SER 51 1HB SER 51 6.232 3.273 -4.836 405 HG SER 51 HG SER 51 7.076 5.048 -6.456 406 H ILE 52 H ILE 52 6.294 1.583 -3.650 407 HA ILE 52 HA ILE 52 6.641 -1.258 -4.506 408 HB ILE 52 HB ILE 52 5.800 -0.216 -1.779 409 HG12 ILE 52 2HG1 ILE 52 8.312 -1.739 -2.622 410 HG13 ILE 52 1HG1 ILE 52 8.269 -0.003 -2.331 411 HG21 ILE 52 1HG2 ILE 52 4.636 -2.312 -2.323 412 HG22 ILE 52 2HG2 ILE 52 5.900 -2.670 -1.165 413 HG23 ILE 52 3HG2 ILE 52 6.140 -3.046 -2.869 414 HD11 ILE 52 3HD1 ILE 52 9.084 -1.103 -0.338 415 HD12 ILE 52 1HD1 ILE 52 7.689 -2.176 -0.312 416 HD13 ILE 52 2HD1 ILE 52 7.480 -0.454 -0.004 417 H THR 53 H THR 53 4.902 -1.962 -5.588 418 HA THR 53 HA THR 53 2.336 -0.487 -5.446 419 HB THR 53 HB THR 53 3.202 -2.707 -7.349 420 HG1 THR 53 1HG THR 53 4.488 -0.907 -7.639 421 HG21 THR 53 3HG2 THR 53 0.746 -2.409 -7.164 422 HG22 THR 53 1HG2 THR 53 1.335 -1.857 -8.729 423 HG23 THR 53 2HG2 THR 53 0.937 -0.684 -7.475 424 H VAL 54 H VAL 54 0.636 -1.316 -4.327 425 HA VAL 54 HA VAL 54 0.639 -4.191 -3.534 426 HB VAL 54 HB VAL 54 -0.223 -1.793 -1.873 427 HG11 VAL 54 1HG1 VAL 54 -0.353 -3.483 -0.041 428 HG12 VAL 54 2HG1 VAL 54 0.004 -4.753 -1.211 429 HG13 VAL 54 3HG1 VAL 54 -1.494 -3.834 -1.339 430 HG21 VAL 54 3HG2 VAL 54 2.236 -1.895 -2.149 431 HG22 VAL 54 1HG2 VAL 54 2.227 -3.577 -1.619 432 HG23 VAL 54 2HG2 VAL 54 1.764 -2.291 -0.503 433 HA PRO 55 HA PRO 55 -3.439 -3.051 -5.472 434 HB2 PRO 55 2HB PRO 55 -3.786 -5.114 -7.171 435 HB3 PRO 55 1HB PRO 55 -2.580 -3.853 -7.530 436 HG2 PRO 55 2HG PRO 55 -2.143 -6.582 -6.329 437 HG3 PRO 55 1HG PRO 55 -1.229 -5.776 -7.625 438 HD2 PRO 55 2HD PRO 55 -0.428 -5.783 -4.948 439 HD3 PRO 55 1HD PRO 55 0.051 -4.518 -6.101 440 H VAL 56 H VAL 56 -5.471 -3.668 -4.806 441 HA VAL 56 HA VAL 56 -5.824 -6.259 -3.377 442 HB VAL 56 HB VAL 56 -5.288 -4.524 -1.711 443 HG11 VAL 56 1HG1 VAL 56 -7.819 -3.109 -2.634 444 HG12 VAL 56 2HG1 VAL 56 -6.183 -2.573 -3.017 445 HG13 VAL 56 3HG1 VAL 56 -6.731 -2.602 -1.341 446 HG21 VAL 56 3HG2 VAL 56 -7.203 -4.900 -0.235 447 HG22 VAL 56 1HG2 VAL 56 -6.876 -6.370 -1.151 448 HG23 VAL 56 2HG2 VAL 56 -8.223 -5.327 -1.606 449 H ASP 57 H ASP 57 -7.694 -7.242 -3.768 450 HA ASP 57 HA ASP 57 -9.439 -6.349 -5.843 451 HB2 ASP 57 2HB ASP 57 -9.816 -8.538 -3.769 452 HB3 ASP 57 1HB ASP 57 -10.803 -8.332 -5.215 453 H ILE 58 H ILE 58 -11.202 -5.046 -5.721 454 HA ILE 58 HA ILE 58 -12.204 -4.184 -3.059 455 HB ILE 58 HB ILE 58 -13.215 -2.293 -4.349 456 HG12 ILE 58 2HG1 ILE 58 -11.624 -3.384 -6.721 457 HG13 ILE 58 1HG1 ILE 58 -13.362 -3.576 -6.562 458 HG21 ILE 58 1HG2 ILE 58 -10.233 -2.686 -4.797 459 HG22 ILE 58 2HG2 ILE 58 -10.973 -2.079 -3.316 460 HG23 ILE 58 3HG2 ILE 58 -11.077 -1.139 -4.802 461 HD11 ILE 58 3HD1 ILE 58 -12.836 -1.646 -7.980 462 HD12 ILE 58 1HD1 ILE 58 -11.903 -0.922 -6.670 463 HD13 ILE 58 2HD1 ILE 58 -13.646 -1.133 -6.500 464 H SER 59 H SER 59 -12.973 -6.223 -5.642 465 HA SER 59 HA SER 59 -15.764 -5.914 -5.845 466 HB2 SER 59 2HB SER 59 -14.430 -7.215 -7.445 467 HB3 SER 59 1HB SER 59 -14.096 -8.416 -6.199 468 HG SER 59 HG SER 59 -15.906 -9.274 -6.821 469 H GLN 60 H GLN 60 -13.806 -7.905 -3.642 470 HA GLN 60 HA GLN 60 -16.136 -9.085 -2.348 471 HB2 GLN 60 2HB GLN 60 -13.794 -10.157 -2.755 472 HB3 GLN 60 1HB GLN 60 -13.250 -9.203 -1.382 473 HG2 GLN 60 2HG GLN 60 -13.857 -11.369 -0.504 474 HG3 GLN 60 1HG GLN 60 -15.155 -10.279 -0.032 475 HE21 GLN 60 1HE2 GLN 60 -14.326 -12.444 -2.808 476 HE22 GLN 60 2HE2 GLN 60 -15.910 -13.018 -3.017 477 H VAL 61 H VAL 61 -14.571 -6.115 -2.158 478 HA VAL 61 HA VAL 61 -14.957 -5.709 0.744 479 HB VAL 61 HB VAL 61 -13.933 -3.788 -1.385 480 HG11 VAL 61 1HG1 VAL 61 -12.986 -2.581 0.592 481 HG12 VAL 61 2HG1 VAL 61 -13.823 -3.713 1.653 482 HG13 VAL 61 3HG1 VAL 61 -14.746 -2.625 0.622 483 HG21 VAL 61 3HG2 VAL 61 -12.426 -5.571 0.564 484 HG22 VAL 61 1HG2 VAL 61 -11.688 -4.372 -0.499 485 HG23 VAL 61 2HG2 VAL 61 -12.489 -5.783 -1.185 486 H THR 62 H THR 62 -17.018 -5.333 1.322 487 HA THR 62 HA THR 62 -18.616 -3.296 -0.165 488 HB THR 62 HB THR 62 -20.614 -4.651 0.187 489 HG1 THR 62 1HG THR 62 -20.419 -6.699 1.096 490 HG21 THR 62 3HG2 THR 62 -18.366 -6.281 -1.041 491 HG22 THR 62 1HG2 THR 62 -19.296 -5.035 -1.873 492 HG23 THR 62 2HG2 THR 62 -20.088 -6.515 -1.335 493 H GLU 63 H GLU 63 -17.078 -4.011 2.637 494 HA GLU 63 HA GLU 63 -18.816 -2.210 4.227 495 HB2 GLU 63 2HB GLU 63 -17.743 -4.873 5.253 496 HB3 GLU 63 1HB GLU 63 -18.634 -3.682 6.198 497 HG2 GLU 63 2HG GLU 63 -19.726 -5.191 3.796 498 HG3 GLU 63 1HG GLU 63 -20.093 -5.543 5.478 499 H ASP 64 H ASP 64 -17.714 -1.104 5.877 500 HA ASP 64 HA ASP 64 -15.033 -0.395 5.288 501 HB2 ASP 64 2HB ASP 64 -16.649 1.111 6.413 502 HB3 ASP 64 1HB ASP 64 -16.614 0.080 7.839 503 H THR 65 H THR 65 -13.125 -1.156 6.041 504 HA THR 65 HA THR 65 -12.818 -2.624 8.493 505 HB THR 65 HB THR 65 -13.833 -4.434 7.211 506 HG1 THR 65 1HG THR 65 -11.238 -5.252 6.979 507 HG21 THR 65 3HG2 THR 65 -13.302 -3.557 4.937 508 HG22 THR 65 1HG2 THR 65 -12.847 -5.250 5.123 509 HG23 THR 65 2HG2 THR 65 -11.612 -3.995 5.183 510 H SER 66 H SER 66 -10.563 -3.845 8.343 511 HA SER 66 HA SER 66 -8.577 -2.204 6.863 512 HB2 SER 66 2HB SER 66 -7.226 -1.923 8.872 513 HB3 SER 66 1HB SER 66 -8.830 -1.250 9.154 514 HG SER 66 HG SER 66 -9.218 -3.572 9.937 515 H LYS 67 H LYS 67 -6.667 -3.250 6.392 516 HA LYS 67 HA LYS 67 -6.372 -6.117 7.168 517 HB2 LYS 67 2HB LYS 67 -6.202 -4.938 4.370 518 HB3 LYS 67 1HB LYS 67 -5.678 -6.570 4.790 519 HG2 LYS 67 2HG LYS 67 -7.960 -7.127 5.533 520 HG3 LYS 67 1HG LYS 67 -8.499 -5.494 5.128 521 HD2 LYS 67 2HD LYS 67 -7.936 -5.851 2.767 522 HD3 LYS 67 1HD LYS 67 -7.284 -7.449 3.133 523 HE2 LYS 67 2HE LYS 67 -9.561 -7.615 2.226 524 HE3 LYS 67 1HE LYS 67 -9.503 -8.188 3.892 525 HZ1 LYS 67 3HZ LYS 67 -10.622 -6.361 4.659 526 HZ2 LYS 67 1HZ LYS 67 -11.336 -6.518 3.128 527 HZ3 LYS 67 2HZ LYS 67 -10.115 -5.361 3.381 528 H THR 68 H THR 68 -4.306 -6.771 7.470 529 HA THR 68 HA THR 68 -2.154 -4.727 7.356 530 HB THR 68 HB THR 68 -2.199 -7.472 8.679 531 HG1 THR 68 1HG THR 68 -3.306 -6.475 10.130 532 HG21 THR 68 3HG2 THR 68 -0.273 -5.126 8.890 533 HG22 THR 68 1HG2 THR 68 0.078 -6.698 8.168 534 HG23 THR 68 2HG2 THR 68 -0.220 -6.571 9.899 535 H LEU 69 H LEU 69 -0.738 -4.845 5.710 536 HA LEU 69 HA LEU 69 -0.491 -7.359 4.107 537 HB2 LEU 69 2HB LEU 69 -0.220 -4.485 3.149 538 HB3 LEU 69 1HB LEU 69 -0.177 -5.941 2.150 539 HG LEU 69 HG LEU 69 -2.575 -4.952 3.749 540 HD11 LEU 69 1HD1 LEU 69 -3.562 -4.473 1.542 541 HD12 LEU 69 2HD1 LEU 69 -2.080 -5.018 0.756 542 HD13 LEU 69 3HD1 LEU 69 -2.063 -3.570 1.765 543 HD21 LEU 69 3HD2 LEU 69 -3.798 -6.744 2.309 544 HD22 LEU 69 1HD2 LEU 69 -2.817 -7.334 3.643 545 HD23 LEU 69 2HD2 LEU 69 -2.193 -7.416 2.000 546 H GLU 70 H GLU 70 1.517 -8.120 3.755 547 HA GLU 70 HA GLU 70 3.821 -6.706 4.977 548 HB2 GLU 70 2HB GLU 70 3.499 -9.578 4.031 549 HB3 GLU 70 1HB GLU 70 4.945 -8.905 4.784 550 HG2 GLU 70 2HG GLU 70 3.711 -10.031 6.535 551 HG3 GLU 70 1HG GLU 70 3.516 -8.303 6.805 552 H LEU 71 H LEU 71 5.530 -6.026 3.790 553 HA LEU 71 HA LEU 71 5.367 -6.202 0.815 554 HB2 LEU 71 2HB LEU 71 7.027 -4.267 2.475 555 HB3 LEU 71 1HB LEU 71 6.598 -4.133 0.772 556 HG LEU 71 HG LEU 71 4.694 -3.933 3.142 557 HD11 LEU 71 1HD1 LEU 71 4.464 -1.589 2.450 558 HD12 LEU 71 2HD1 LEU 71 5.608 -1.848 1.135 559 HD13 LEU 71 3HD1 LEU 71 6.151 -1.960 2.810 560 HD21 LEU 71 3HD2 LEU 71 4.162 -3.827 0.144 561 HD22 LEU 71 1HD2 LEU 71 3.025 -3.218 1.349 562 HD23 LEU 71 2HD2 LEU 71 3.442 -4.923 1.326 563 H LYS 72 H LYS 72 6.920 -7.246 -0.303 564 HA LYS 72 HA LYS 72 9.483 -8.010 1.041 565 HB2 LYS 72 2HB LYS 72 7.712 -9.734 -0.737 566 HB3 LYS 72 1HB LYS 72 9.311 -10.191 -0.145 567 HG2 LYS 72 2HG LYS 72 8.518 -10.010 2.183 568 HG3 LYS 72 1HG LYS 72 6.918 -9.535 1.609 569 HD2 LYS 72 2HD LYS 72 6.696 -11.707 0.437 570 HD3 LYS 72 1HD LYS 72 8.288 -12.183 1.028 571 HE2 LYS 72 2HE LYS 72 7.488 -11.986 3.358 572 HE3 LYS 72 1HE LYS 72 5.896 -11.504 2.771 573 HZ1 LYS 72 3HZ LYS 72 5.796 -13.804 3.216 574 HZ2 LYS 72 1HZ LYS 72 7.251 -14.114 2.403 575 HZ3 LYS 72 2HZ LYS 72 5.870 -13.660 1.524 576 H ALA 73 H ALA 73 11.300 -7.830 -0.215 577 HA ALA 73 HA ALA 73 11.104 -7.346 -3.119 578 HB1 ALA 73 1HB ALA 73 12.504 -5.315 -2.928 579 HB2 ALA 73 2HB ALA 73 12.422 -5.421 -1.169 580 HB3 ALA 73 3HB ALA 73 10.960 -5.101 -2.102 581 H GLU 74 H GLU 74 12.761 -8.389 -4.133 582 HA GLU 74 HA GLU 74 14.749 -9.789 -2.504 583 HB2 GLU 74 2HB GLU 74 14.174 -9.780 -5.487 584 HB3 GLU 74 1HB GLU 74 15.368 -10.815 -4.704 585 HG2 GLU 74 2HG GLU 74 13.603 -11.813 -3.300 586 HG3 GLU 74 1HG GLU 74 12.401 -10.767 -4.049 587 H GLY 75 H GLY 75 16.548 -8.854 -1.921 588 HA2 GLY 75 2HA GLY 75 18.780 -8.183 -2.836 589 HA3 GLY 75 1HA GLY 75 17.949 -6.926 -3.740 590 H VAL 76 H VAL 76 16.132 -6.634 -1.246 591 HA VAL 76 HA VAL 76 18.022 -5.175 0.544 592 HB VAL 76 HB VAL 76 16.426 -3.312 0.658 593 HG11 VAL 76 1HG1 VAL 76 18.238 -3.221 -1.009 594 HG12 VAL 76 2HG1 VAL 76 16.798 -2.403 -1.608 595 HG13 VAL 76 3HG1 VAL 76 17.200 -4.019 -2.188 596 HG21 VAL 76 3HG2 VAL 76 14.312 -4.467 0.167 597 HG22 VAL 76 1HG2 VAL 76 14.879 -4.894 -1.446 598 HG23 VAL 76 2HG2 VAL 76 14.549 -3.208 -1.039 599 H THR 77 H THR 77 17.161 -4.784 2.675 600 HA THR 77 HA THR 77 15.287 -6.921 3.579 601 HB THR 77 HB THR 77 17.268 -5.242 5.171 602 HG1 THR 77 1HG THR 77 17.514 -7.478 3.649 603 HG21 THR 77 3HG2 THR 77 15.602 -7.681 5.904 604 HG22 THR 77 1HG2 THR 77 15.409 -6.055 6.562 605 HG23 THR 77 2HG2 THR 77 16.862 -6.981 6.918 606 H VAL 78 H VAL 78 13.256 -6.148 3.663 607 HA VAL 78 HA VAL 78 12.717 -3.315 4.279 608 HB VAL 78 HB VAL 78 10.669 -5.514 3.709 609 HG11 VAL 78 1HG1 VAL 78 9.336 -3.626 2.870 610 HG12 VAL 78 2HG1 VAL 78 10.654 -2.516 3.218 611 HG13 VAL 78 3HG1 VAL 78 9.832 -3.340 4.534 612 HG21 VAL 78 3HG2 VAL 78 10.814 -4.833 1.301 613 HG22 VAL 78 1HG2 VAL 78 12.280 -5.628 1.871 614 HG23 VAL 78 2HG2 VAL 78 12.244 -3.879 1.684 615 H GLN 79 H GLN 79 12.109 -2.650 6.301 616 HA GLN 79 HA GLN 79 10.707 -4.450 8.105 617 HB2 GLN 79 2HB GLN 79 12.371 -4.149 9.961 618 HB3 GLN 79 1HB GLN 79 12.957 -5.131 8.618 619 HG2 GLN 79 2HG GLN 79 14.134 -3.165 7.687 620 HG3 GLN 79 1HG GLN 79 13.566 -2.186 9.037 621 HE21 GLN 79 1HE2 GLN 79 16.013 -4.435 8.035 622 HE22 GLN 79 2HE2 GLN 79 16.785 -4.580 9.540 623 HA PRO 80 HA PRO 80 9.638 -4.264 10.290 624 HB2 PRO 80 2HB PRO 80 7.094 -3.491 10.960 625 HB3 PRO 80 1HB PRO 80 8.511 -2.922 11.880 626 HG2 PRO 80 2HG PRO 80 7.077 -1.527 9.622 627 HG3 PRO 80 1HG PRO 80 7.478 -0.890 11.235 628 HD2 PRO 80 2HD PRO 80 9.083 -0.336 9.126 629 HD3 PRO 80 1HD PRO 80 9.799 -0.698 10.714 630 H SER 81 H SER 81 8.654 -2.564 7.557 631 HA SER 81 HA SER 81 7.647 -3.131 5.598 632 HB2 SER 81 2HB SER 81 9.308 -5.126 6.125 633 HB3 SER 81 1HB SER 81 7.832 -6.064 6.266 634 HG SER 81 HG SER 81 7.274 -5.123 4.173 635 H THR 82 H THR 82 5.974 -2.959 8.123 636 HA THR 82 HA THR 82 3.521 -4.288 7.056 637 HB THR 82 HB THR 82 2.781 -4.445 9.466 638 HG1 THR 82 1HG THR 82 4.750 -2.878 9.875 639 HG21 THR 82 3HG2 THR 82 5.330 -5.924 8.714 640 HG22 THR 82 1HG2 THR 82 3.672 -6.455 8.421 641 HG23 THR 82 2HG2 THR 82 4.288 -6.355 10.071 642 H VAL 83 H VAL 83 1.747 -3.005 6.967 643 HA VAL 83 HA VAL 83 1.697 -0.367 8.278 644 HB VAL 83 HB VAL 83 1.060 0.746 6.102 645 HG11 VAL 83 1HG1 VAL 83 3.376 0.925 7.054 646 HG12 VAL 83 2HG1 VAL 83 3.341 1.050 5.297 647 HG13 VAL 83 3HG1 VAL 83 3.860 -0.449 6.060 648 HG21 VAL 83 3HG2 VAL 83 0.447 -1.280 4.827 649 HG22 VAL 83 1HG2 VAL 83 2.118 -1.839 4.892 650 HG23 VAL 83 2HG2 VAL 83 1.707 -0.384 3.986 651 H LYS 84 H LYS 84 -0.395 0.327 8.687 652 HA LYS 84 HA LYS 84 -2.526 -1.664 8.238 653 HB2 LYS 84 2HB LYS 84 -2.078 -0.740 10.515 654 HB3 LYS 84 1HB LYS 84 -2.508 0.864 9.937 655 HG2 LYS 84 2HG LYS 84 -4.765 0.012 9.311 656 HG3 LYS 84 1HG LYS 84 -4.329 -1.571 9.943 657 HD2 LYS 84 2HD LYS 84 -4.325 0.977 11.619 658 HD3 LYS 84 1HD LYS 84 -5.695 -0.122 11.532 659 HE2 LYS 84 2HE LYS 84 -4.085 -1.979 12.316 660 HE3 LYS 84 1HE LYS 84 -2.956 -0.684 12.713 661 HZ1 LYS 84 3HZ LYS 84 -4.164 -1.032 14.648 662 HZ2 LYS 84 1HZ LYS 84 -5.640 -1.182 13.826 663 HZ3 LYS 84 2HZ LYS 84 -4.893 0.338 13.957 664 H VAL 85 H VAL 85 -4.102 -1.312 6.795 665 HA VAL 85 HA VAL 85 -4.410 1.383 5.532 666 HB VAL 85 HB VAL 85 -4.728 -1.340 4.213 667 HG11 VAL 85 1HG1 VAL 85 -4.818 0.018 2.121 668 HG12 VAL 85 2HG1 VAL 85 -4.784 1.485 3.098 669 HG13 VAL 85 3HG1 VAL 85 -6.155 0.386 3.207 670 HG21 VAL 85 3HG2 VAL 85 -2.364 -0.885 4.731 671 HG22 VAL 85 1HG2 VAL 85 -2.495 0.710 3.989 672 HG23 VAL 85 2HG2 VAL 85 -2.643 -0.741 2.997 673 H ASN 86 H ASN 86 -6.346 2.218 5.931 674 HA ASN 86 HA ASN 86 -8.625 0.478 6.718 675 HB2 ASN 86 2HB ASN 86 -8.201 3.477 6.934 676 HB3 ASN 86 1HB ASN 86 -9.633 2.611 7.488 677 HD21 ASN 86 1HD2 ASN 86 -7.510 4.135 9.071 678 HD22 ASN 86 2HD2 ASN 86 -6.961 3.017 10.224 679 H LEU 87 H LEU 87 -10.126 0.041 5.214 680 HA LEU 87 HA LEU 87 -10.349 1.730 2.763 681 HB2 LEU 87 2HB LEU 87 -11.287 -1.129 3.206 682 HB3 LEU 87 1HB LEU 87 -11.243 -0.253 1.675 683 HG LEU 87 HG LEU 87 -8.809 -1.007 3.341 684 HD11 LEU 87 1HD1 LEU 87 -8.354 -2.617 1.520 685 HD12 LEU 87 2HD1 LEU 87 -9.851 -2.138 0.721 686 HD13 LEU 87 3HD1 LEU 87 -9.908 -2.954 2.284 687 HD21 LEU 87 3HD2 LEU 87 -8.244 0.985 2.102 688 HD22 LEU 87 1HD2 LEU 87 -9.092 0.420 0.663 689 HD23 LEU 87 2HD2 LEU 87 -7.585 -0.346 1.169 690 H LYS 88 H LYS 88 -11.906 3.226 3.135 691 HA LYS 88 HA LYS 88 -14.328 2.560 4.656 692 HB2 LYS 88 2HB LYS 88 -13.419 5.108 3.266 693 HB3 LYS 88 1HB LYS 88 -14.870 4.956 4.262 694 HG2 LYS 88 2HG LYS 88 -13.481 4.318 6.203 695 HG3 LYS 88 1HG LYS 88 -12.028 4.463 5.212 696 HD2 LYS 88 2HD LYS 88 -12.552 6.863 4.823 697 HD3 LYS 88 1HD LYS 88 -13.973 6.706 5.856 698 HE2 LYS 88 2HE LYS 88 -11.098 6.244 6.713 699 HE3 LYS 88 1HE LYS 88 -12.089 7.643 7.131 700 HZ1 LYS 88 3HZ LYS 88 -12.370 6.293 8.950 701 HZ2 LYS 88 1HZ LYS 88 -12.328 4.858 8.045 702 HZ3 LYS 88 2HZ LYS 88 -13.710 5.847 8.007 703 H VAL 89 H VAL 89 -16.196 1.982 3.722 704 HA VAL 89 HA VAL 89 -16.434 1.997 0.756 705 HB VAL 89 HB VAL 89 -18.037 0.427 2.820 706 HG11 VAL 89 1HG1 VAL 89 -18.683 -0.938 0.861 707 HG12 VAL 89 2HG1 VAL 89 -17.745 0.121 -0.191 708 HG13 VAL 89 3HG1 VAL 89 -19.174 0.740 0.635 709 HG21 VAL 89 3HG2 VAL 89 -15.672 -0.246 2.898 710 HG22 VAL 89 1HG2 VAL 89 -15.636 -0.396 1.141 711 HG23 VAL 89 2HG2 VAL 89 -16.618 -1.502 2.105 712 H THR 90 H THR 90 -17.921 3.278 -0.191 713 HA THR 90 HA THR 90 -19.734 4.916 1.500 714 HB THR 90 HB THR 90 -18.958 5.240 -1.427 715 HG1 THR 90 1HG THR 90 -17.238 6.149 -0.701 716 HG21 THR 90 3HG2 THR 90 -20.337 7.098 0.545 717 HG22 THR 90 1HG2 THR 90 -21.079 6.351 -0.872 718 HG23 THR 90 2HG2 THR 90 -19.810 7.555 -1.075 719 H GLN 91 H GLN 91 -21.799 4.255 1.636 720 HA GLN 91 HA GLN 91 -22.893 2.247 -0.168 721 HB2 GLN 91 2HB GLN 91 -24.233 3.766 2.105 722 HB3 GLN 91 1HB GLN 91 -24.822 2.293 1.331 723 HG2 GLN 91 2HG GLN 91 -22.219 2.533 2.881 724 HG3 GLN 91 1HG GLN 91 -23.705 1.822 3.499 725 HE21 GLN 91 1HE2 GLN 91 -20.781 0.949 2.208 726 HE22 GLN 91 2HE2 GLN 91 -21.216 -0.536 1.513 727 H LYS 92 H LYS 92 -24.217 2.618 -1.866 728 HA LYS 92 HA LYS 92 -24.529 5.125 -3.042 729 HB2 LYS 92 2HB LYS 92 -26.272 4.040 -4.451 730 HB3 LYS 92 1HB LYS 92 -24.821 3.050 -4.299 731 HG2 LYS 92 2HG LYS 92 -25.915 1.727 -2.507 732 HG3 LYS 92 1HG LYS 92 -27.381 2.690 -2.692 733 HD2 LYS 92 2HD LYS 92 -27.594 1.957 -5.032 734 HD3 LYS 92 1HD LYS 92 -26.122 0.999 -4.875 735 HE2 LYS 92 2HE LYS 92 -28.129 -0.414 -4.585 736 HE3 LYS 92 1HE LYS 92 -27.187 -0.349 -3.095 737 HZ1 LYS 92 3HZ LYS 92 -28.693 1.093 -2.111 738 HZ2 LYS 92 1HZ LYS 92 -29.698 0.014 -2.949 739 HZ3 LYS 92 2HZ LYS 92 -29.386 1.556 -3.590 740 H LEU 93 H LEU 93 -26.141 6.685 -3.047 741 HA LEU 93 HA LEU 93 -27.739 6.928 -0.660 742 HB2 LEU 93 2HB LEU 93 -27.440 8.566 -3.189 743 HB3 LEU 93 1HB LEU 93 -28.663 8.987 -2.000 744 HG LEU 93 HG LEU 93 -26.541 10.288 -1.734 745 HD11 LEU 93 1HD1 LEU 93 -28.102 9.601 0.266 746 HD12 LEU 93 2HD1 LEU 93 -26.521 10.294 0.600 747 HD13 LEU 93 3HD1 LEU 93 -26.759 8.558 0.745 748 HD21 LEU 93 3HD2 LEU 93 -25.251 7.677 -0.865 749 HD22 LEU 93 1HD2 LEU 93 -24.488 9.259 -1.019 750 HD23 LEU 93 2HD2 LEU 93 -25.017 8.392 -2.461 751 H GLU 94 H GLU 94 -29.965 6.871 -0.458 752 HA GLU 94 HA GLU 94 -31.337 4.915 -2.050 753 HB2 GLU 94 2HB GLU 94 -32.348 6.844 0.068 754 HB3 GLU 94 1HB GLU 94 -33.274 5.498 -0.597 755 HG2 GLU 94 2HG GLU 94 -31.585 3.907 0.227 756 HG3 GLU 94 1HG GLU 94 -30.620 5.238 0.861 757 H HIS 95 H HIS 95 -30.504 7.948 -2.857 758 HA HIS 95 HA HIS 95 -32.853 9.211 -3.742 759 HB2 HIS 95 2HB HIS 95 -31.374 10.511 -5.218 760 HB3 HIS 95 1HB HIS 95 -30.667 10.347 -3.613 761 HD2 HIS 95 2HD HIS 95 -28.638 10.733 -6.220 762 HE1 HIS 95 1HE HIS 95 -27.795 6.632 -5.678 763 HE2 HIS 95 2HE HIS 95 -26.989 8.782 -6.761 764 H HIS 96 H HIS 96 -34.017 9.132 -5.649 765 HA HIS 96 HA HIS 96 -34.085 6.661 -7.070 766 HB2 HIS 96 2HB HIS 96 -35.335 9.338 -7.785 767 HB3 HIS 96 1HB HIS 96 -35.777 7.772 -8.471 768 HD2 HIS 96 2HD HIS 96 -36.819 9.970 -5.547 769 HE1 HIS 96 1HE HIS 96 -38.067 6.068 -4.525 770 HE2 HIS 96 2HE HIS 96 -38.262 8.526 -3.919 771 H HIS 97 H HIS 97 -32.949 6.021 -8.806 772 HA HIS 97 HA HIS 97 -32.075 7.786 -10.894 773 HB2 HIS 97 2HB HIS 97 -30.372 8.309 -9.144 774 HB3 HIS 97 1HB HIS 97 -29.921 6.608 -9.094 775 HD2 HIS 97 2HD HIS 97 -29.691 9.637 -11.640 776 HE1 HIS 97 1HE HIS 97 -27.088 6.579 -12.943 777 HE2 HIS 97 2HE HIS 97 -27.854 8.962 -13.369 778 H HIS 98 H HIS 98 -31.297 6.651 -12.695 779 HA HIS 98 HA HIS 98 -30.671 3.858 -12.665 780 HB2 HIS 98 2HB HIS 98 -33.128 3.712 -12.289 781 HB3 HIS 98 1HB HIS 98 -33.399 4.635 -13.765 782 HD2 HIS 98 2HD HIS 98 -33.607 3.028 -16.007 783 HE1 HIS 98 1HE HIS 98 -31.754 -0.428 -14.443 784 HE2 HIS 98 2HE HIS 98 -32.953 0.540 -16.461 785 H HIS 99 H HIS 99 -28.913 4.670 -13.847 786 HA HIS 99 HA HIS 99 -27.723 5.279 -15.716 787 HB2 HIS 99 2HB HIS 99 -30.155 4.138 -17.131 788 HB3 HIS 99 1HB HIS 99 -28.561 4.384 -17.846 789 HD2 HIS 99 2HD HIS 99 -26.625 2.447 -17.124 790 HE1 HIS 99 1HE HIS 99 -29.179 0.108 -14.712 791 HE2 HIS 99 2HE HIS 99 -26.888 0.212 -15.800 792 H HIS 100 H HIS 100 -28.184 6.366 -18.090 793 HA HIS 100 HA HIS 100 -28.857 9.056 -17.536 794 HB2 HIS 100 2HB HIS 100 -28.698 9.358 -20.006 795 HB3 HIS 100 1HB HIS 100 -27.332 8.458 -19.351 796 HD2 HIS 100 2HD HIS 100 -30.502 7.783 -21.590 797 HE1 HIS 100 1HE HIS 100 -28.070 4.332 -21.652 798 HE2 HIS 100 2HE HIS 100 -30.130 5.427 -22.656 Start of MODEL 10 1 H1 LYS 1 1HT LYS 1 39.853 4.940 8.133 2 H2 LYS 1 2HT LYS 1 38.799 4.366 6.929 3 H3 LYS 1 3HT LYS 1 38.227 4.633 8.507 4 HA LYS 1 HA LYS 1 38.867 7.045 8.189 5 HB2 LYS 1 2HB LYS 1 38.925 6.031 5.321 6 HB3 LYS 1 1HB LYS 1 38.913 7.734 5.779 7 HG2 LYS 1 2HG LYS 1 41.033 7.424 7.009 8 HG3 LYS 1 1HG LYS 1 41.048 5.718 6.558 9 HD2 LYS 1 2HD LYS 1 41.130 6.348 4.166 10 HD3 LYS 1 1HD LYS 1 41.117 8.054 4.615 11 HE2 LYS 1 2HE LYS 1 43.240 7.752 5.838 12 HE3 LYS 1 1HE LYS 1 43.253 6.045 5.398 13 HZ1 LYS 1 2HZ LYS 1 44.146 8.247 3.901 14 HZ2 LYS 1 3HZ LYS 1 42.865 7.511 3.064 15 HZ3 LYS 1 1HZ LYS 1 44.224 6.596 3.505 16 H ILE 2 H ILE 2 37.083 5.627 5.458 17 HA ILE 2 HA ILE 2 34.698 7.079 6.019 18 HB ILE 2 HB ILE 2 33.699 5.570 4.266 19 HG12 ILE 2 2HG1 ILE 2 36.480 4.310 4.196 20 HG13 ILE 2 1HG1 ILE 2 35.068 3.526 4.894 21 HG21 ILE 2 1HG2 ILE 2 35.117 6.389 2.426 22 HG22 ILE 2 2HG2 ILE 2 36.432 6.702 3.559 23 HG23 ILE 2 3HG2 ILE 2 34.938 7.637 3.652 24 HD11 ILE 2 3HD1 ILE 2 33.917 3.695 2.685 25 HD12 ILE 2 1HD1 ILE 2 35.383 2.719 2.619 26 HD13 ILE 2 2HD1 ILE 2 35.395 4.367 1.999 27 H SER 3 H SER 3 35.958 4.046 7.111 28 HA SER 3 HA SER 3 35.212 2.475 8.586 29 HB2 SER 3 2HB SER 3 33.894 3.200 10.411 30 HB3 SER 3 1HB SER 3 34.638 4.691 9.845 31 HG SER 3 HG SER 3 32.012 3.874 9.815 32 H LEU 4 H LEU 4 33.673 0.794 8.753 33 HA LEU 4 HA LEU 4 32.049 0.450 6.408 34 HB2 LEU 4 2HB LEU 4 33.177 -1.428 7.526 35 HB3 LEU 4 1HB LEU 4 32.176 -1.197 8.955 36 HG LEU 4 HG LEU 4 30.605 -1.508 6.394 37 HD11 LEU 4 1HD1 LEU 4 32.384 -3.130 5.932 38 HD12 LEU 4 2HD1 LEU 4 30.870 -3.958 6.295 39 HD13 LEU 4 3HD1 LEU 4 32.141 -3.871 7.515 40 HD21 LEU 4 3HD2 LEU 4 30.391 -2.938 9.076 41 HD22 LEU 4 1HD2 LEU 4 29.175 -2.909 7.796 42 HD23 LEU 4 2HD2 LEU 4 29.559 -1.438 8.682 43 H ARG 5 H ARG 5 29.833 0.405 6.224 44 HA ARG 5 HA ARG 5 28.015 0.790 8.397 45 HB2 ARG 5 2HB ARG 5 27.297 3.102 7.768 46 HB3 ARG 5 1HB ARG 5 28.935 3.051 8.415 47 HG2 ARG 5 2HG ARG 5 29.835 3.049 6.088 48 HG3 ARG 5 1HG ARG 5 28.189 3.162 5.466 49 HD2 ARG 5 2HD ARG 5 27.881 5.292 6.692 50 HD3 ARG 5 1HD ARG 5 29.540 5.173 7.277 51 HE ARG 5 HE ARG 5 30.281 5.901 5.201 52 HH11 ARG 5 1HH2 ARG 5 26.999 4.786 4.969 53 HH12 ARG 5 2HH2 ARG 5 26.802 5.295 3.326 54 HH21 ARG 5 1HH1 ARG 5 30.014 6.568 3.045 55 HH22 ARG 5 2HH1 ARG 5 28.505 6.301 2.239 56 H LYS 6 H LYS 6 25.897 0.518 7.759 57 HA LYS 6 HA LYS 6 25.478 -0.419 4.991 58 HB2 LYS 6 2HB LYS 6 23.344 -1.305 5.896 59 HB3 LYS 6 1HB LYS 6 24.744 -1.902 6.787 60 HG2 LYS 6 2HG LYS 6 24.357 -0.168 8.530 61 HG3 LYS 6 1HG LYS 6 22.927 0.380 7.656 62 HD2 LYS 6 2HD LYS 6 21.911 -1.856 7.905 63 HD3 LYS 6 1HD LYS 6 23.339 -2.410 8.778 64 HE2 LYS 6 2HE LYS 6 22.931 -0.724 10.530 65 HE3 LYS 6 1HE LYS 6 21.511 -0.149 9.656 66 HZ1 LYS 6 3HZ LYS 6 20.337 -1.699 10.675 67 HZ2 LYS 6 1HZ LYS 6 21.721 -2.311 11.442 68 HZ3 LYS 6 2HZ LYS 6 21.262 -2.906 9.917 69 H LEU 7 H LEU 7 23.823 0.392 3.681 70 HA LEU 7 HA LEU 7 23.145 3.213 4.133 71 HB2 LEU 7 2HB LEU 7 22.568 1.439 1.727 72 HB3 LEU 7 1HB LEU 7 22.493 3.204 1.791 73 HG LEU 7 HG LEU 7 25.000 1.513 2.137 74 HD11 LEU 7 1HD1 LEU 7 25.658 2.472 -0.039 75 HD12 LEU 7 2HD1 LEU 7 24.119 3.326 -0.134 76 HD13 LEU 7 3HD1 LEU 7 24.155 1.561 -0.180 77 HD21 LEU 7 3HD2 LEU 7 24.536 4.518 2.280 78 HD22 LEU 7 1HD2 LEU 7 26.121 3.850 1.883 79 HD23 LEU 7 2HD2 LEU 7 25.383 3.486 3.433 80 H SER 8 H SER 8 20.918 3.883 3.604 81 HA SER 8 HA SER 8 18.770 1.970 3.861 82 HB2 SER 8 2HB SER 8 19.203 2.014 6.206 83 HB3 SER 8 1HB SER 8 19.529 3.743 6.193 84 HG SER 8 HG SER 8 17.070 3.170 5.212 85 H LYS 9 H LYS 9 16.887 2.815 3.157 86 HA LYS 9 HA LYS 9 16.520 5.703 2.809 87 HB2 LYS 9 2HB LYS 9 16.718 3.748 0.482 88 HB3 LYS 9 1HB LYS 9 15.975 5.342 0.342 89 HG2 LYS 9 2HG LYS 9 18.127 6.376 1.086 90 HG3 LYS 9 1HG LYS 9 18.857 4.776 1.127 91 HD2 LYS 9 2HD LYS 9 18.433 4.469 -1.252 92 HD3 LYS 9 1HD LYS 9 17.664 6.056 -1.337 93 HE2 LYS 9 2HE LYS 9 20.549 5.509 -0.578 94 HE3 LYS 9 1HE LYS 9 19.997 6.195 -2.102 95 HZ1 LYS 9 3HZ LYS 9 18.839 7.738 -0.150 96 HZ2 LYS 9 1HZ LYS 9 20.152 8.169 -1.134 97 HZ3 LYS 9 2HZ LYS 9 20.428 7.480 0.394 98 H SER 10 H SER 10 14.396 6.143 1.864 99 HA SER 10 HA SER 10 12.324 4.129 2.651 100 HB2 SER 10 2HB SER 10 12.398 5.906 4.332 101 HB3 SER 10 1HB SER 10 12.279 7.130 3.068 102 HG SER 10 HG SER 10 10.257 6.159 2.496 103 H VAL 11 H VAL 11 10.694 3.821 1.212 104 HA VAL 11 HA VAL 11 10.619 5.508 -1.245 105 HB VAL 11 HB VAL 11 9.919 3.398 -2.448 106 HG11 VAL 11 1HG1 VAL 11 12.620 3.287 -1.060 107 HG12 VAL 11 2HG1 VAL 11 12.256 4.194 -2.529 108 HG13 VAL 11 3HG1 VAL 11 12.187 2.433 -2.544 109 HG21 VAL 11 3HG2 VAL 11 10.774 2.079 0.163 110 HG22 VAL 11 1HG2 VAL 11 10.351 1.234 -1.325 111 HG23 VAL 11 2HG2 VAL 11 9.124 2.138 -0.452 112 HA PRO 12 HA PRO 12 6.315 5.989 -0.058 113 HB2 PRO 12 2HB PRO 12 5.182 6.895 -2.371 114 HB3 PRO 12 1HB PRO 12 6.366 7.881 -1.475 115 HG2 PRO 12 2HG PRO 12 6.847 6.078 -3.844 116 HG3 PRO 12 1HG PRO 12 7.342 7.773 -3.621 117 HD2 PRO 12 2HD PRO 12 9.087 5.737 -3.115 118 HD3 PRO 12 1HD PRO 12 9.081 7.201 -2.104 119 H VAL 13 H VAL 13 4.467 4.748 0.003 120 HA VAL 13 HA VAL 13 4.356 2.326 -1.732 121 HB VAL 13 HB VAL 13 2.940 2.881 0.909 122 HG11 VAL 13 1HG1 VAL 13 2.544 0.405 0.846 123 HG12 VAL 13 2HG1 VAL 13 3.263 0.352 -0.762 124 HG13 VAL 13 3HG1 VAL 13 1.758 1.230 -0.494 125 HG21 VAL 13 3HG2 VAL 13 5.387 2.750 1.198 126 HG22 VAL 13 1HG2 VAL 13 5.425 1.239 0.290 127 HG23 VAL 13 2HG2 VAL 13 4.614 1.310 1.856 128 H LYS 14 H LYS 14 2.676 2.063 -3.114 129 HA LYS 14 HA LYS 14 0.369 3.969 -3.002 130 HB2 LYS 14 2HB LYS 14 1.820 2.930 -5.452 131 HB3 LYS 14 1HB LYS 14 0.378 3.948 -5.472 132 HG2 LYS 14 2HG LYS 14 1.673 5.686 -4.163 133 HG3 LYS 14 1HG LYS 14 3.116 4.693 -4.376 134 HD2 LYS 14 2HD LYS 14 1.442 5.865 -6.629 135 HD3 LYS 14 1HD LYS 14 2.978 6.508 -6.058 136 HE2 LYS 14 2HE LYS 14 3.993 4.197 -6.609 137 HE3 LYS 14 1HE LYS 14 2.501 3.879 -7.498 138 HZ1 LYS 14 3HZ LYS 14 3.594 6.443 -8.101 139 HZ2 LYS 14 1HZ LYS 14 3.132 5.190 -9.144 140 HZ3 LYS 14 2HZ LYS 14 4.682 5.187 -8.450 141 H LEU 15 H LEU 15 -1.613 3.133 -3.539 142 HA LEU 15 HA LEU 15 -1.835 0.158 -3.707 143 HB2 LEU 15 2HB LEU 15 -3.900 2.149 -2.680 144 HB3 LEU 15 1HB LEU 15 -3.975 0.388 -2.583 145 HG LEU 15 HG LEU 15 -1.946 2.173 -1.185 146 HD11 LEU 15 1HD1 LEU 15 -3.097 1.431 0.876 147 HD12 LEU 15 2HD1 LEU 15 -4.253 0.521 -0.100 148 HD13 LEU 15 3HD1 LEU 15 -4.200 2.283 -0.202 149 HD21 LEU 15 3HD2 LEU 15 -2.215 -0.854 -1.338 150 HD22 LEU 15 1HD2 LEU 15 -1.432 -0.079 0.044 151 HD23 LEU 15 2HD2 LEU 15 -0.775 0.141 -1.570 152 H GLU 16 H GLU 16 -2.816 -0.698 -5.429 153 HA GLU 16 HA GLU 16 -4.161 1.117 -7.398 154 HB2 GLU 16 2HB GLU 16 -2.639 -1.475 -7.835 155 HB3 GLU 16 1HB GLU 16 -3.492 -0.575 -9.090 156 HG2 GLU 16 2HG GLU 16 -2.056 1.391 -8.656 157 HG3 GLU 16 1HG GLU 16 -1.196 0.487 -7.413 158 H LEU 17 H LEU 17 -6.304 0.878 -7.260 159 HA LEU 17 HA LEU 17 -7.590 -1.400 -6.089 160 HB2 LEU 17 2HB LEU 17 -8.830 0.750 -7.860 161 HB3 LEU 17 1HB LEU 17 -9.657 -0.264 -6.673 162 HG LEU 17 HG LEU 17 -7.528 1.819 -6.047 163 HD11 LEU 17 1HD1 LEU 17 -10.520 1.820 -5.543 164 HD12 LEU 17 2HD1 LEU 17 -9.677 2.804 -6.739 165 HD13 LEU 17 3HD1 LEU 17 -9.388 3.069 -5.021 166 HD21 LEU 17 3HD2 LEU 17 -8.396 1.376 -3.631 167 HD22 LEU 17 1HD2 LEU 17 -7.331 0.166 -4.331 168 HD23 LEU 17 2HD2 LEU 17 -9.073 -0.120 -4.280 169 H THR 18 H THR 18 -8.018 -3.296 -7.019 170 HA THR 18 HA THR 18 -8.159 -3.512 -10.002 171 HB THR 18 HB THR 18 -7.299 -5.811 -9.722 172 HG1 THR 18 1HG THR 18 -8.046 -5.610 -7.328 173 HG21 THR 18 3HG2 THR 18 -4.987 -5.211 -9.215 174 HG22 THR 18 1HG2 THR 18 -5.520 -3.759 -8.367 175 HG23 THR 18 2HG2 THR 18 -5.733 -3.894 -10.115 176 H GLY 19 H GLY 19 -9.916 -4.450 -10.827 177 HA2 GLY 19 2HA GLY 19 -11.666 -6.169 -10.704 178 HA3 GLY 19 1HA GLY 19 -11.911 -5.752 -9.011 179 H ASP 20 H ASP 20 -14.000 -5.775 -10.767 180 HA ASP 20 HA ASP 20 -14.572 -3.052 -11.688 181 HB2 ASP 20 2HB ASP 20 -16.291 -5.552 -11.622 182 HB3 ASP 20 1HB ASP 20 -16.712 -4.034 -12.417 183 H LYS 21 H LYS 21 -15.898 -1.604 -10.655 184 HA LYS 21 HA LYS 21 -16.326 -1.848 -7.854 185 HB2 LYS 21 2HB LYS 21 -17.481 0.075 -9.903 186 HB3 LYS 21 1HB LYS 21 -17.640 0.270 -8.161 187 HG2 LYS 21 2HG LYS 21 -15.177 0.336 -7.941 188 HG3 LYS 21 1HG LYS 21 -15.018 0.155 -9.689 189 HD2 LYS 21 2HD LYS 21 -16.251 2.272 -10.024 190 HD3 LYS 21 1HD LYS 21 -16.415 2.455 -8.278 191 HE2 LYS 21 2HE LYS 21 -13.956 2.528 -8.052 192 HE3 LYS 21 1HE LYS 21 -13.790 2.351 -9.799 193 HZ1 LYS 21 3HZ LYS 21 -13.675 4.622 -9.479 194 HZ2 LYS 21 1HZ LYS 21 -14.858 4.628 -8.265 195 HZ3 LYS 21 2HZ LYS 21 -15.308 4.397 -9.886 196 H ALA 22 H ALA 22 -18.025 -2.650 -6.734 197 HA ALA 22 HA ALA 22 -20.048 -4.185 -8.046 198 HB1 ALA 22 1HB ALA 22 -19.918 -3.284 -5.151 199 HB2 ALA 22 2HB ALA 22 -19.210 -4.759 -5.797 200 HB3 ALA 22 3HB ALA 22 -20.959 -4.547 -5.795 201 H SER 23 H SER 23 -22.417 -3.860 -7.217 202 HA SER 23 HA SER 23 -23.282 -1.269 -8.289 203 HB2 SER 23 2HB SER 23 -25.528 -2.238 -8.216 204 HB3 SER 23 1HB SER 23 -24.403 -3.346 -8.996 205 HG SER 23 HG SER 23 -25.131 -4.694 -7.560 206 H ASN 24 H ASN 24 -22.819 -2.718 -5.170 207 HA ASN 24 HA ASN 24 -24.661 -0.930 -3.771 208 HB2 ASN 24 2HB ASN 24 -24.439 -3.210 -2.976 209 HB3 ASN 24 1HB ASN 24 -22.688 -3.062 -2.898 210 HD21 ASN 24 1HD2 ASN 24 -21.764 -1.884 -1.122 211 HD22 ASN 24 2HD2 ASN 24 -22.685 -1.429 0.220 212 H VAL 25 H VAL 25 -21.306 -1.010 -4.720 213 HA VAL 25 HA VAL 25 -20.549 1.075 -2.764 214 HB VAL 25 HB VAL 25 -19.082 -0.913 -3.132 215 HG11 VAL 25 1HG1 VAL 25 -17.890 -1.289 -5.171 216 HG12 VAL 25 2HG1 VAL 25 -18.338 0.282 -5.828 217 HG13 VAL 25 3HG1 VAL 25 -19.546 -0.983 -5.681 218 HG21 VAL 25 3HG2 VAL 25 -16.982 0.347 -3.242 219 HG22 VAL 25 1HG2 VAL 25 -18.165 1.256 -2.304 220 HG23 VAL 25 2HG2 VAL 25 -17.809 1.725 -3.963 221 H SER 26 H SER 26 -20.515 3.166 -3.297 222 HA SER 26 HA SER 26 -20.911 4.020 -6.094 223 HB2 SER 26 2HB SER 26 -22.341 5.007 -4.350 224 HB3 SER 26 1HB SER 26 -20.914 5.583 -3.492 225 HG SER 26 HG SER 26 -22.191 6.607 -5.666 226 H SER 27 H SER 27 -18.600 4.223 -3.427 227 HA SER 27 HA SER 27 -16.396 4.796 -5.224 228 HB2 SER 27 2HB SER 27 -17.319 7.060 -4.914 229 HB3 SER 27 1HB SER 27 -17.226 6.864 -3.166 230 HG SER 27 HG SER 27 -15.045 6.865 -3.279 231 H ILE 28 H ILE 28 -14.337 4.717 -4.129 232 HA ILE 28 HA ILE 28 -14.375 3.476 -1.411 233 HB ILE 28 HB ILE 28 -12.653 2.640 -3.782 234 HG12 ILE 28 2HG1 ILE 28 -14.866 1.103 -2.353 235 HG13 ILE 28 1HG1 ILE 28 -15.102 1.938 -3.886 236 HG21 ILE 28 1HG2 ILE 28 -12.846 1.586 -0.920 237 HG22 ILE 28 2HG2 ILE 28 -11.444 2.371 -1.642 238 HG23 ILE 28 3HG2 ILE 28 -11.944 0.787 -2.208 239 HD11 ILE 28 3HD1 ILE 28 -13.145 -0.316 -3.376 240 HD12 ILE 28 1HD1 ILE 28 -13.310 0.549 -4.904 241 HD13 ILE 28 2HD1 ILE 28 -14.646 -0.431 -4.293 242 H SER 29 H SER 29 -12.897 4.251 -0.034 243 HA SER 29 HA SER 29 -10.716 6.051 -1.012 244 HB2 SER 29 2HB SER 29 -12.489 6.461 1.413 245 HB3 SER 29 1HB SER 29 -11.107 7.461 0.970 246 HG SER 29 HG SER 29 -13.208 8.234 0.248 247 H TYR 30 H TYR 30 -8.837 6.063 0.298 248 HA TYR 30 HA TYR 30 -8.618 4.042 2.445 249 HB2 TYR 30 2HB TYR 30 -6.601 3.079 1.398 250 HB3 TYR 30 1HB TYR 30 -8.025 2.838 0.388 251 HD1 TYR 30 2HD TYR 30 -8.338 4.126 -1.712 252 HD2 TYR 30 1HD TYR 30 -4.829 4.666 0.722 253 HE1 TYR 30 2HE TYR 30 -7.229 5.343 -3.568 254 HE2 TYR 30 1HE TYR 30 -3.735 5.885 -1.138 255 HH TYR 30 HH TYR 30 -4.535 7.232 -3.173 256 H SER 31 H SER 31 -6.779 4.306 3.753 257 HA SER 31 HA SER 31 -5.097 6.693 3.405 258 HB2 SER 31 2HB SER 31 -5.715 7.665 5.540 259 HB3 SER 31 1HB SER 31 -7.181 7.465 4.582 260 HG SER 31 HG SER 31 -7.560 5.525 5.734 261 H PHE 32 H PHE 32 -3.418 6.809 5.063 262 HA PHE 32 HA PHE 32 -2.818 4.314 6.519 263 HB2 PHE 32 2HB PHE 32 -0.477 4.364 5.480 264 HB3 PHE 32 1HB PHE 32 -1.772 3.844 4.402 265 HD1 PHE 32 1HD PHE 32 0.290 6.814 5.390 266 HD2 PHE 32 2HD PHE 32 -2.272 5.099 2.384 267 HE1 PHE 32 1HE PHE 32 0.856 8.660 3.844 268 HE2 PHE 32 2HE PHE 32 -1.695 6.955 0.848 269 HZ PHE 32 HZ PHE 32 -0.131 8.732 1.575 270 H ASP 33 H ASP 33 -1.412 4.599 8.225 271 HA ASP 33 HA ASP 33 -1.302 7.227 9.380 272 HB2 ASP 33 2HB ASP 33 0.020 4.618 10.197 273 HB3 ASP 33 1HB ASP 33 -0.019 6.078 11.186 274 H ARG 34 H ARG 34 0.998 5.171 7.647 275 HA ARG 34 HA ARG 34 2.959 7.415 7.548 276 HB2 ARG 34 2HB ARG 34 3.533 4.473 8.048 277 HB3 ARG 34 1HB ARG 34 4.764 5.694 7.730 278 HG2 ARG 34 2HG ARG 34 4.047 6.946 9.731 279 HG3 ARG 34 1HG ARG 34 2.815 5.729 10.055 280 HD2 ARG 34 2HD ARG 34 4.558 4.007 10.293 281 HD3 ARG 34 1HD ARG 34 5.805 5.206 9.955 282 HE ARG 34 HE ARG 34 4.449 4.798 12.459 283 HH11 ARG 34 1HH2 ARG 34 5.907 7.189 10.403 284 HH12 ARG 34 2HH2 ARG 34 6.281 8.272 11.703 285 HH21 ARG 34 1HH1 ARG 34 4.942 6.221 14.155 286 HH22 ARG 34 2HH1 ARG 34 5.736 7.725 13.819 287 H GLY 35 H GLY 35 2.136 4.212 6.212 288 HA2 GLY 35 2HA GLY 35 2.115 3.412 4.057 289 HA3 GLY 35 1HA GLY 35 1.845 5.077 3.556 290 H HIS 36 H HIS 36 4.697 4.316 5.401 291 HA HIS 36 HA HIS 36 6.419 4.028 3.039 292 HB2 HIS 36 2HB HIS 36 7.874 5.886 3.700 293 HB3 HIS 36 1HB HIS 36 6.249 6.491 3.388 294 HD2 HIS 36 2HD HIS 36 5.341 8.079 5.468 295 HE1 HIS 36 1HE HIS 36 7.792 6.524 8.532 296 HE2 HIS 36 2HE HIS 36 6.005 8.243 7.988 297 H VAL 37 H VAL 37 8.232 2.858 3.498 298 HA VAL 37 HA VAL 37 8.875 2.193 6.337 299 HB VAL 37 HB VAL 37 9.211 -0.168 5.648 300 HG11 VAL 37 1HG1 VAL 37 7.065 0.563 6.651 301 HG12 VAL 37 2HG1 VAL 37 6.819 -0.739 5.500 302 HG13 VAL 37 3HG1 VAL 37 6.437 0.916 5.043 303 HG21 VAL 37 3HG2 VAL 37 7.975 0.766 3.021 304 HG22 VAL 37 1HG2 VAL 37 8.266 -0.918 3.457 305 HG23 VAL 37 2HG2 VAL 37 9.623 0.180 3.234 306 H THR 38 H THR 38 11.053 1.161 6.523 307 HA THR 38 HA THR 38 12.965 2.558 4.744 308 HB THR 38 HB THR 38 13.414 1.225 7.443 309 HG1 THR 38 1HG THR 38 12.479 2.946 8.150 310 HG21 THR 38 3HG2 THR 38 15.489 2.603 7.422 311 HG22 THR 38 1HG2 THR 38 15.110 3.123 5.781 312 HG23 THR 38 2HG2 THR 38 15.474 1.428 6.110 313 H ILE 39 H ILE 39 14.419 1.453 3.524 314 HA ILE 39 HA ILE 39 14.407 -1.532 3.593 315 HB ILE 39 HB ILE 39 14.781 -1.451 1.162 316 HG12 ILE 39 2HG1 ILE 39 14.375 1.556 1.405 317 HG13 ILE 39 1HG1 ILE 39 15.925 0.800 1.082 318 HG21 ILE 39 1HG2 ILE 39 12.376 0.254 1.924 319 HG22 ILE 39 2HG2 ILE 39 12.446 -1.489 2.134 320 HG23 ILE 39 3HG2 ILE 39 12.520 -0.803 0.517 321 HD11 ILE 39 3HD1 ILE 39 14.871 -0.241 -0.975 322 HD12 ILE 39 1HD1 ILE 39 15.028 1.517 -1.017 323 HD13 ILE 39 2HD1 ILE 39 13.465 0.782 -0.670 324 H VAL 40 H VAL 40 16.384 -2.578 3.284 325 HA VAL 40 HA VAL 40 18.848 -0.888 3.339 326 HB VAL 40 HB VAL 40 18.289 -3.344 5.041 327 HG11 VAL 40 1HG1 VAL 40 20.483 -2.712 6.111 328 HG12 VAL 40 2HG1 VAL 40 20.712 -1.511 4.844 329 HG13 VAL 40 3HG1 VAL 40 20.662 -3.226 4.438 330 HG21 VAL 40 3HG2 VAL 40 18.383 -1.732 6.930 331 HG22 VAL 40 1HG2 VAL 40 17.066 -1.347 5.823 332 HG23 VAL 40 2HG2 VAL 40 18.555 -0.407 5.781 333 H GLY 41 H GLY 41 20.389 -1.521 1.975 334 HA2 GLY 41 2HA GLY 41 21.164 -4.058 1.213 335 HA3 GLY 41 1HA GLY 41 19.900 -3.622 0.067 336 H SER 42 H SER 42 21.644 -3.802 -1.513 337 HA SER 42 HA SER 42 23.834 -1.926 -1.541 338 HB2 SER 42 2HB SER 42 23.966 -4.089 -2.704 339 HB3 SER 42 1HB SER 42 22.646 -3.608 -3.767 340 HG SER 42 HG SER 42 24.324 -2.952 -4.911 341 H GLN 43 H GLN 43 24.099 -0.178 -3.047 342 HA GLN 43 HA GLN 43 21.882 1.562 -3.202 343 HB2 GLN 43 2HB GLN 43 24.258 2.300 -3.123 344 HB3 GLN 43 1HB GLN 43 24.490 1.672 -4.749 345 HG2 GLN 43 2HG GLN 43 24.113 4.087 -4.841 346 HG3 GLN 43 1HG GLN 43 22.751 3.264 -5.585 347 HE21 GLN 43 1HE2 GLN 43 21.021 4.651 -5.093 348 HE22 GLN 43 2HE2 GLN 43 20.615 5.142 -3.521 349 H GLU 44 H GLU 44 23.334 -0.640 -5.580 350 HA GLU 44 HA GLU 44 21.917 0.259 -7.832 351 HB2 GLU 44 2HB GLU 44 23.943 -1.224 -7.836 352 HB3 GLU 44 1HB GLU 44 22.938 -2.549 -7.254 353 HG2 GLU 44 2HG GLU 44 21.525 -2.360 -9.268 354 HG3 GLU 44 1HG GLU 44 22.516 -1.026 -9.837 355 H ALA 45 H ALA 45 21.134 -2.144 -5.327 356 HA ALA 45 HA ALA 45 18.808 -3.186 -6.567 357 HB1 ALA 45 1HB ALA 45 20.054 -4.298 -4.724 358 HB2 ALA 45 2HB ALA 45 18.338 -4.133 -4.368 359 HB3 ALA 45 3HB ALA 45 19.504 -3.043 -3.614 360 H MET 46 H MET 46 19.306 -0.593 -4.168 361 HA MET 46 HA MET 46 16.526 0.002 -3.825 362 HB2 MET 46 2HB MET 46 18.978 1.705 -3.280 363 HB3 MET 46 1HB MET 46 17.345 2.099 -2.754 364 HG2 MET 46 2HG MET 46 17.281 -0.101 -1.508 365 HG3 MET 46 1HG MET 46 18.986 -0.313 -1.902 366 HE1 MET 46 3HE MET 46 20.875 2.213 0.141 367 HE2 MET 46 1HE MET 46 20.398 2.559 -1.521 368 HE3 MET 46 2HE MET 46 20.868 0.927 -1.057 369 H ASP 47 H ASP 47 19.060 1.306 -5.960 370 HA ASP 47 HA ASP 47 17.656 3.499 -6.988 371 HB2 ASP 47 2HB ASP 47 20.077 3.112 -7.306 372 HB3 ASP 47 1HB ASP 47 19.718 1.745 -8.357 373 H LYS 48 H LYS 48 17.508 0.064 -7.803 374 HA LYS 48 HA LYS 48 16.046 0.386 -10.252 375 HB2 LYS 48 2HB LYS 48 17.401 -1.628 -9.670 376 HB3 LYS 48 1HB LYS 48 16.239 -2.012 -8.401 377 HG2 LYS 48 2HG LYS 48 14.459 -2.320 -10.042 378 HG3 LYS 48 1HG LYS 48 15.487 -1.721 -11.337 379 HD2 LYS 48 2HD LYS 48 15.364 -4.167 -11.434 380 HD3 LYS 48 1HD LYS 48 17.006 -3.659 -11.051 381 HE2 LYS 48 2HE LYS 48 16.049 -5.626 -9.663 382 HE3 LYS 48 1HE LYS 48 16.779 -4.314 -8.746 383 HZ1 LYS 48 3HZ LYS 48 13.886 -4.337 -9.351 384 HZ2 LYS 48 1HZ LYS 48 14.706 -3.487 -8.134 385 HZ3 LYS 48 2HZ LYS 48 14.516 -5.171 -8.010 386 H ILE 49 H ILE 49 15.213 0.056 -6.852 387 HA ILE 49 HA ILE 49 12.335 -0.223 -7.377 388 HB ILE 49 HB ILE 49 13.814 0.136 -4.734 389 HG12 ILE 49 2HG1 ILE 49 12.772 -2.437 -6.017 390 HG13 ILE 49 1HG1 ILE 49 14.460 -1.946 -6.061 391 HG21 ILE 49 1HG2 ILE 49 10.980 -0.791 -5.386 392 HG22 ILE 49 2HG2 ILE 49 11.413 0.712 -4.575 393 HG23 ILE 49 3HG2 ILE 49 11.696 -0.826 -3.774 394 HD11 ILE 49 3HD1 ILE 49 14.120 -3.518 -4.229 395 HD12 ILE 49 1HD1 ILE 49 12.839 -2.506 -3.562 396 HD13 ILE 49 2HD1 ILE 49 14.504 -1.926 -3.573 397 H ASP 50 H ASP 50 11.125 1.517 -7.801 398 HA ASP 50 HA ASP 50 11.951 4.239 -6.889 399 HB2 ASP 50 2HB ASP 50 10.089 3.360 -9.123 400 HB3 ASP 50 1HB ASP 50 10.472 5.032 -8.717 401 H SER 51 H SER 51 9.561 1.768 -6.643 402 HA SER 51 HA SER 51 8.222 3.005 -4.443 403 HB2 SER 51 2HB SER 51 6.024 3.366 -5.460 404 HB3 SER 51 1HB SER 51 7.220 4.369 -6.272 405 HG SER 51 HG SER 51 6.079 3.351 -7.861 406 H ILE 52 H ILE 52 6.417 1.688 -3.677 407 HA ILE 52 HA ILE 52 6.690 -1.185 -4.435 408 HB ILE 52 HB ILE 52 5.591 0.016 -1.854 409 HG12 ILE 52 2HG1 ILE 52 7.945 0.624 -2.010 410 HG13 ILE 52 1HG1 ILE 52 7.779 -0.682 -0.843 411 HG21 ILE 52 1HG2 ILE 52 4.790 -2.255 -2.330 412 HG22 ILE 52 2HG2 ILE 52 5.930 -2.284 -0.986 413 HG23 ILE 52 3HG2 ILE 52 6.445 -2.803 -2.593 414 HD11 ILE 52 3HD1 ILE 52 8.375 -2.260 -2.857 415 HD12 ILE 52 1HD1 ILE 52 9.662 -1.314 -2.118 416 HD13 ILE 52 2HD1 ILE 52 8.939 -0.779 -3.632 417 H THR 53 H THR 53 5.052 -1.955 -5.607 418 HA THR 53 HA THR 53 2.411 -0.607 -5.612 419 HB THR 53 HB THR 53 3.471 -2.843 -7.400 420 HG1 THR 53 1HG THR 53 4.364 -0.481 -7.313 421 HG21 THR 53 3HG2 THR 53 1.127 -0.936 -7.676 422 HG22 THR 53 1HG2 THR 53 1.006 -2.662 -7.344 423 HG23 THR 53 2HG2 THR 53 1.634 -2.104 -8.893 424 H VAL 54 H VAL 54 0.718 -1.511 -4.508 425 HA VAL 54 HA VAL 54 0.809 -4.397 -3.800 426 HB VAL 54 HB VAL 54 -0.075 -2.158 -1.954 427 HG11 VAL 54 1HG1 VAL 54 0.312 -5.153 -1.545 428 HG12 VAL 54 2HG1 VAL 54 -1.219 -4.280 -1.518 429 HG13 VAL 54 3HG1 VAL 54 -0.024 -3.999 -0.260 430 HG21 VAL 54 3HG2 VAL 54 2.501 -3.777 -1.987 431 HG22 VAL 54 1HG2 VAL 54 2.004 -2.689 -0.693 432 HG23 VAL 54 2HG2 VAL 54 2.350 -2.045 -2.290 433 HA PRO 55 HA PRO 55 -3.266 -3.188 -5.640 434 HB2 PRO 55 2HB PRO 55 -3.791 -5.397 -7.127 435 HB3 PRO 55 1HB PRO 55 -2.607 -4.184 -7.667 436 HG2 PRO 55 2HG PRO 55 -2.116 -6.830 -6.321 437 HG3 PRO 55 1HG PRO 55 -1.270 -6.105 -7.706 438 HD2 PRO 55 2HD PRO 55 -0.303 -5.983 -5.102 439 HD3 PRO 55 1HD PRO 55 0.093 -4.758 -6.330 440 H VAL 56 H VAL 56 -5.325 -3.636 -4.918 441 HA VAL 56 HA VAL 56 -5.755 -5.998 -3.158 442 HB VAL 56 HB VAL 56 -6.586 -3.132 -2.550 443 HG11 VAL 56 1HG1 VAL 56 -8.269 -4.722 -1.727 444 HG12 VAL 56 2HG1 VAL 56 -7.316 -4.156 -0.357 445 HG13 VAL 56 3HG1 VAL 56 -7.006 -5.751 -1.042 446 HG21 VAL 56 3HG2 VAL 56 -5.003 -3.372 -0.646 447 HG22 VAL 56 1HG2 VAL 56 -4.182 -3.513 -2.200 448 HG23 VAL 56 2HG2 VAL 56 -4.528 -4.959 -1.251 449 H ASP 57 H ASP 57 -7.532 -7.070 -3.643 450 HA ASP 57 HA ASP 57 -9.262 -6.294 -5.804 451 HB2 ASP 57 2HB ASP 57 -9.529 -8.513 -3.750 452 HB3 ASP 57 1HB ASP 57 -10.513 -8.356 -5.204 453 H ILE 58 H ILE 58 -11.057 -5.058 -5.699 454 HA ILE 58 HA ILE 58 -12.165 -4.284 -3.070 455 HB ILE 58 HB ILE 58 -13.292 -2.482 -4.382 456 HG12 ILE 58 2HG1 ILE 58 -11.600 -3.472 -6.720 457 HG13 ILE 58 1HG1 ILE 58 -13.329 -3.757 -6.587 458 HG21 ILE 58 1HG2 ILE 58 -11.084 -2.108 -3.314 459 HG22 ILE 58 2HG2 ILE 58 -11.243 -1.166 -4.793 460 HG23 ILE 58 3HG2 ILE 58 -10.286 -2.646 -4.792 461 HD11 ILE 58 3HD1 ILE 58 -12.931 -1.805 -7.995 462 HD12 ILE 58 1HD1 ILE 58 -11.986 -1.044 -6.718 463 HD13 ILE 58 2HD1 ILE 58 -13.714 -1.303 -6.497 464 H SER 59 H SER 59 -12.807 -6.353 -5.692 465 HA SER 59 HA SER 59 -15.590 -6.221 -5.935 466 HB2 SER 59 2HB SER 59 -15.413 -8.530 -6.799 467 HB3 SER 59 1HB SER 59 -14.155 -7.492 -7.461 468 HG SER 59 HG SER 59 -13.976 -9.484 -5.470 469 H GLN 60 H GLN 60 -13.597 -7.990 -3.579 470 HA GLN 60 HA GLN 60 -15.916 -9.233 -2.298 471 HB2 GLN 60 2HB GLN 60 -12.973 -9.221 -1.537 472 HB3 GLN 60 1HB GLN 60 -14.221 -10.241 -0.817 473 HG2 GLN 60 2HG GLN 60 -13.419 -10.280 -3.749 474 HG3 GLN 60 1HG GLN 60 -12.885 -11.447 -2.543 475 HE21 GLN 60 1HE2 GLN 60 -15.050 -11.184 -5.002 476 HE22 GLN 60 2HE2 GLN 60 -16.285 -12.191 -4.418 477 H VAL 61 H VAL 61 -14.491 -6.205 -2.208 478 HA VAL 61 HA VAL 61 -14.895 -5.746 0.687 479 HB VAL 61 HB VAL 61 -13.915 -3.861 -1.485 480 HG11 VAL 61 1HG1 VAL 61 -14.816 -2.645 0.443 481 HG12 VAL 61 2HG1 VAL 61 -13.062 -2.537 0.462 482 HG13 VAL 61 3HG1 VAL 61 -13.886 -3.654 1.549 483 HG21 VAL 61 3HG2 VAL 61 -11.672 -4.312 -0.563 484 HG22 VAL 61 1HG2 VAL 61 -12.404 -5.803 -1.151 485 HG23 VAL 61 2HG2 VAL 61 -12.364 -5.465 0.580 486 H THR 62 H THR 62 -16.961 -5.407 1.252 487 HA THR 62 HA THR 62 -18.620 -3.482 -0.313 488 HB THR 62 HB THR 62 -20.581 -4.876 0.127 489 HG1 THR 62 1HG THR 62 -18.668 -6.596 1.316 490 HG21 THR 62 3HG2 THR 62 -19.268 -5.270 -1.945 491 HG22 THR 62 1HG2 THR 62 -20.030 -6.751 -1.369 492 HG23 THR 62 2HG2 THR 62 -18.310 -6.478 -1.093 493 H GLU 63 H GLU 63 -17.013 -3.958 2.474 494 HA GLU 63 HA GLU 63 -18.703 -2.072 3.936 495 HB2 GLU 63 2HB GLU 63 -19.482 -4.465 4.491 496 HB3 GLU 63 1HB GLU 63 -17.914 -4.705 5.254 497 HG2 GLU 63 2HG GLU 63 -19.524 -4.076 6.967 498 HG3 GLU 63 1HG GLU 63 -18.409 -2.736 6.752 499 H ASP 64 H ASP 64 -17.622 -1.164 5.775 500 HA ASP 64 HA ASP 64 -14.940 -0.464 5.286 501 HB2 ASP 64 2HB ASP 64 -16.528 -0.296 7.868 502 HB3 ASP 64 1HB ASP 64 -15.017 0.554 7.548 503 H THR 65 H THR 65 -13.029 -1.257 5.991 504 HA THR 65 HA THR 65 -12.744 -3.102 8.184 505 HB THR 65 HB THR 65 -13.617 -4.713 6.580 506 HG1 THR 65 1HG THR 65 -11.015 -5.378 6.207 507 HG21 THR 65 3HG2 THR 65 -11.423 -3.767 4.703 508 HG22 THR 65 1HG2 THR 65 -13.142 -3.415 4.513 509 HG23 THR 65 2HG2 THR 65 -12.563 -5.076 4.397 510 H SER 66 H SER 66 -10.477 -3.900 8.335 511 HA SER 66 HA SER 66 -8.487 -2.244 6.908 512 HB2 SER 66 2HB SER 66 -9.023 -1.011 8.984 513 HB3 SER 66 1HB SER 66 -8.665 -2.452 9.931 514 HG SER 66 HG SER 66 -6.979 -0.664 8.671 515 H LYS 67 H LYS 67 -6.563 -3.264 6.594 516 HA LYS 67 HA LYS 67 -5.974 -5.771 8.021 517 HB2 LYS 67 2HB LYS 67 -7.400 -6.448 6.125 518 HB3 LYS 67 1HB LYS 67 -6.283 -5.663 5.010 519 HG2 LYS 67 2HG LYS 67 -4.504 -7.219 5.587 520 HG3 LYS 67 1HG LYS 67 -5.447 -7.888 6.917 521 HD2 LYS 67 2HD LYS 67 -5.462 -9.385 4.946 522 HD3 LYS 67 1HD LYS 67 -7.085 -8.818 5.333 523 HE2 LYS 67 2HE LYS 67 -7.106 -7.309 3.468 524 HE3 LYS 67 1HE LYS 67 -5.355 -7.421 3.256 525 HZ1 LYS 67 3HZ LYS 67 -6.370 -8.763 1.607 526 HZ2 LYS 67 1HZ LYS 67 -7.372 -9.532 2.739 527 HZ3 LYS 67 2HZ LYS 67 -5.699 -9.822 2.754 528 H THR 68 H THR 68 -3.890 -6.384 7.978 529 HA THR 68 HA THR 68 -1.954 -4.273 7.396 530 HB THR 68 HB THR 68 -1.446 -7.079 8.462 531 HG1 THR 68 1HG THR 68 -1.243 -5.203 10.293 532 HG21 THR 68 3HG2 THR 68 0.593 -5.984 7.613 533 HG22 THR 68 1HG2 THR 68 0.618 -6.004 9.374 534 HG23 THR 68 2HG2 THR 68 0.207 -4.520 8.517 535 H LEU 69 H LEU 69 -0.550 -4.216 5.731 536 HA LEU 69 HA LEU 69 -0.659 -6.379 3.675 537 HB2 LEU 69 2HB LEU 69 0.156 -3.466 3.332 538 HB3 LEU 69 1HB LEU 69 -0.136 -4.654 2.062 539 HG LEU 69 HG LEU 69 -2.210 -3.540 3.990 540 HD11 LEU 69 1HD1 LEU 69 -3.145 -2.431 2.028 541 HD12 LEU 69 2HD1 LEU 69 -1.936 -3.170 0.986 542 HD13 LEU 69 3HD1 LEU 69 -1.451 -1.975 2.188 543 HD21 LEU 69 3HD2 LEU 69 -2.401 -5.697 1.848 544 HD22 LEU 69 1HD2 LEU 69 -3.822 -4.777 2.353 545 HD23 LEU 69 2HD2 LEU 69 -2.954 -5.763 3.522 546 H GLU 70 H GLU 70 1.071 -7.674 3.802 547 HA GLU 70 HA GLU 70 3.564 -6.848 4.982 548 HB2 GLU 70 2HB GLU 70 2.623 -9.173 5.114 549 HB3 GLU 70 1HB GLU 70 2.878 -9.345 3.380 550 HG2 GLU 70 2HG GLU 70 4.749 -10.367 4.536 551 HG3 GLU 70 1HG GLU 70 5.328 -8.902 3.756 552 H LEU 71 H LEU 71 5.187 -5.867 3.950 553 HA LEU 71 HA LEU 71 5.157 -5.644 0.979 554 HB2 LEU 71 2HB LEU 71 6.705 -3.975 2.998 555 HB3 LEU 71 1HB LEU 71 6.461 -3.624 1.286 556 HG LEU 71 HG LEU 71 4.315 -3.686 3.445 557 HD11 LEU 71 1HD1 LEU 71 5.478 -1.386 1.839 558 HD12 LEU 71 2HD1 LEU 71 5.791 -1.717 3.540 559 HD13 LEU 71 3HD1 LEU 71 4.173 -1.262 3.021 560 HD21 LEU 71 3HD2 LEU 71 3.207 -4.387 1.438 561 HD22 LEU 71 1HD2 LEU 71 4.113 -3.244 0.439 562 HD23 LEU 71 2HD2 LEU 71 2.879 -2.669 1.563 563 H LYS 72 H LYS 72 6.653 -6.666 -0.156 564 HA LYS 72 HA LYS 72 9.225 -7.494 1.106 565 HB2 LYS 72 2HB LYS 72 9.029 -9.650 -0.125 566 HB3 LYS 72 1HB LYS 72 7.764 -9.454 1.084 567 HG2 LYS 72 2HG LYS 72 6.202 -8.686 -0.691 568 HG3 LYS 72 1HG LYS 72 7.461 -8.944 -1.898 569 HD2 LYS 72 2HD LYS 72 7.550 -11.339 -1.319 570 HD3 LYS 72 1HD LYS 72 6.306 -11.093 -0.091 571 HE2 LYS 72 2HE LYS 72 5.328 -11.969 -2.192 572 HE3 LYS 72 1HE LYS 72 4.720 -10.354 -1.827 573 HZ1 LYS 72 3HZ LYS 72 7.143 -10.470 -3.426 574 HZ2 LYS 72 1HZ LYS 72 5.793 -9.453 -3.572 575 HZ3 LYS 72 2HZ LYS 72 5.734 -11.036 -4.187 576 H ALA 73 H ALA 73 11.002 -7.320 -0.198 577 HA ALA 73 HA ALA 73 10.678 -6.637 -3.054 578 HB1 ALA 73 1HB ALA 73 12.350 -4.745 -2.670 579 HB2 ALA 73 2HB ALA 73 12.056 -4.944 -0.944 580 HB3 ALA 73 3HB ALA 73 10.739 -4.456 -2.006 581 H GLU 74 H GLU 74 12.359 -7.341 -4.289 582 HA GLU 74 HA GLU 74 14.134 -9.299 -3.075 583 HB2 GLU 74 2HB GLU 74 14.670 -9.873 -5.407 584 HB3 GLU 74 1HB GLU 74 12.931 -9.833 -5.116 585 HG2 GLU 74 2HG GLU 74 12.872 -7.507 -6.065 586 HG3 GLU 74 1HG GLU 74 14.580 -7.661 -6.463 587 H GLY 75 H GLY 75 16.216 -9.198 -2.767 588 HA2 GLY 75 2HA GLY 75 18.460 -8.544 -3.036 589 HA3 GLY 75 1HA GLY 75 17.950 -7.196 -4.045 590 H VAL 76 H VAL 76 15.915 -6.876 -1.551 591 HA VAL 76 HA VAL 76 17.803 -5.489 0.285 592 HB VAL 76 HB VAL 76 16.402 -3.523 0.385 593 HG11 VAL 76 1HG1 VAL 76 16.633 -2.649 -1.892 594 HG12 VAL 76 2HG1 VAL 76 16.780 -4.288 -2.524 595 HG13 VAL 76 3HG1 VAL 76 18.036 -3.631 -1.480 596 HG21 VAL 76 3HG2 VAL 76 14.379 -3.306 -1.175 597 HG22 VAL 76 1HG2 VAL 76 14.159 -4.434 0.158 598 HG23 VAL 76 2HG2 VAL 76 14.505 -5.043 -1.461 599 H THR 77 H THR 77 16.814 -5.059 2.400 600 HA THR 77 HA THR 77 14.799 -7.137 3.156 601 HB THR 77 HB THR 77 16.904 -5.793 4.897 602 HG1 THR 77 1HG THR 77 17.040 -8.481 4.408 603 HG21 THR 77 3HG2 THR 77 16.301 -7.622 6.485 604 HG22 THR 77 1HG2 THR 77 15.008 -8.118 5.396 605 HG23 THR 77 2HG2 THR 77 14.946 -6.541 6.183 606 H VAL 78 H VAL 78 12.842 -6.222 3.389 607 HA VAL 78 HA VAL 78 12.558 -3.377 4.103 608 HB VAL 78 HB VAL 78 10.334 -5.407 3.565 609 HG11 VAL 78 1HG1 VAL 78 9.068 -3.399 2.925 610 HG12 VAL 78 2HG1 VAL 78 10.472 -2.389 3.248 611 HG13 VAL 78 3HG1 VAL 78 9.679 -3.242 4.570 612 HG21 VAL 78 3HG2 VAL 78 10.389 -4.583 1.196 613 HG22 VAL 78 1HG2 VAL 78 11.832 -5.493 1.636 614 HG23 VAL 78 2HG2 VAL 78 11.891 -3.739 1.555 615 H GLN 79 H GLN 79 11.976 -2.693 6.145 616 HA GLN 79 HA GLN 79 10.595 -4.490 7.953 617 HB2 GLN 79 2HB GLN 79 12.338 -4.262 9.767 618 HB3 GLN 79 1HB GLN 79 12.803 -5.287 8.406 619 HG2 GLN 79 2HG GLN 79 14.063 -3.419 7.406 620 HG3 GLN 79 1HG GLN 79 13.587 -2.377 8.746 621 HE21 GLN 79 1HE2 GLN 79 15.831 -4.860 7.754 622 HE22 GLN 79 2HE2 GLN 79 16.658 -4.981 9.231 623 HA PRO 80 HA PRO 80 9.680 -4.356 10.193 624 HB2 PRO 80 2HB PRO 80 7.171 -3.585 10.994 625 HB3 PRO 80 1HB PRO 80 8.636 -3.107 11.890 626 HG2 PRO 80 2HG PRO 80 7.106 -1.534 9.823 627 HG3 PRO 80 1HG PRO 80 7.676 -1.002 11.421 628 HD2 PRO 80 2HD PRO 80 9.086 -0.410 9.160 629 HD3 PRO 80 1HD PRO 80 9.925 -0.783 10.683 630 H SER 81 H SER 81 8.543 -2.557 7.570 631 HA SER 81 HA SER 81 7.469 -3.076 5.630 632 HB2 SER 81 2HB SER 81 8.013 -5.146 4.718 633 HB3 SER 81 1HB SER 81 9.129 -5.129 6.068 634 HG SER 81 HG SER 81 8.157 -6.942 6.524 635 H THR 82 H THR 82 5.969 -2.958 8.234 636 HA THR 82 HA THR 82 3.423 -4.171 7.281 637 HB THR 82 HB THR 82 2.894 -4.585 9.701 638 HG1 THR 82 1HG THR 82 4.484 -3.061 10.462 639 HG21 THR 82 3HG2 THR 82 3.736 -6.429 8.312 640 HG22 THR 82 1HG2 THR 82 4.372 -6.565 9.951 641 HG23 THR 82 2HG2 THR 82 5.393 -5.952 8.654 642 H VAL 83 H VAL 83 1.718 -2.861 7.444 643 HA VAL 83 HA VAL 83 1.739 -0.396 9.035 644 HB VAL 83 HB VAL 83 1.119 1.008 7.043 645 HG11 VAL 83 1HG1 VAL 83 3.494 0.905 7.968 646 HG12 VAL 83 2HG1 VAL 83 3.380 1.400 6.282 647 HG13 VAL 83 3HG1 VAL 83 3.876 -0.241 6.682 648 HG21 VAL 83 3HG2 VAL 83 0.391 -0.784 5.519 649 HG22 VAL 83 1HG2 VAL 83 2.025 -1.445 5.479 650 HG23 VAL 83 2HG2 VAL 83 1.693 0.137 4.772 651 H LYS 84 H LYS 84 -0.397 0.513 9.241 652 HA LYS 84 HA LYS 84 -2.545 -1.483 8.793 653 HB2 LYS 84 2HB LYS 84 -2.399 1.010 10.531 654 HB3 LYS 84 1HB LYS 84 -3.788 -0.077 10.427 655 HG2 LYS 84 2HG LYS 84 -2.399 -1.949 11.233 656 HG3 LYS 84 1HG LYS 84 -1.000 -0.877 11.331 657 HD2 LYS 84 2HD LYS 84 -2.209 0.531 12.980 658 HD3 LYS 84 1HD LYS 84 -3.589 -0.564 12.889 659 HE2 LYS 84 2HE LYS 84 -0.793 -1.309 13.806 660 HE3 LYS 84 1HE LYS 84 -2.202 -1.101 14.847 661 HZ1 LYS 84 3HZ LYS 84 -1.849 -3.425 14.339 662 HZ2 LYS 84 1HZ LYS 84 -1.922 -3.106 12.674 663 HZ3 LYS 84 2HZ LYS 84 -3.304 -2.890 13.641 664 H VAL 85 H VAL 85 -4.120 -1.094 7.358 665 HA VAL 85 HA VAL 85 -4.414 1.629 6.165 666 HB VAL 85 HB VAL 85 -4.589 -1.033 4.707 667 HG11 VAL 85 1HG1 VAL 85 -6.057 0.674 3.727 668 HG12 VAL 85 2HG1 VAL 85 -4.664 0.427 2.681 669 HG13 VAL 85 3HG1 VAL 85 -4.738 1.842 3.730 670 HG21 VAL 85 3HG2 VAL 85 -2.444 1.123 4.693 671 HG22 VAL 85 1HG2 VAL 85 -2.488 -0.264 3.605 672 HG23 VAL 85 2HG2 VAL 85 -2.273 -0.513 5.334 673 H ASN 86 H ASN 86 -6.414 2.392 6.219 674 HA ASN 86 HA ASN 86 -8.674 0.592 6.968 675 HB2 ASN 86 2HB ASN 86 -8.364 3.600 7.260 676 HB3 ASN 86 1HB ASN 86 -9.772 2.656 7.750 677 HD21 ASN 86 1HD2 ASN 86 -7.731 4.243 9.406 678 HD22 ASN 86 2HD2 ASN 86 -7.188 3.128 10.565 679 H LEU 87 H LEU 87 -10.112 0.174 5.428 680 HA LEU 87 HA LEU 87 -10.257 1.878 2.983 681 HB2 LEU 87 2HB LEU 87 -11.174 -1.001 3.352 682 HB3 LEU 87 1HB LEU 87 -11.033 -0.112 1.833 683 HG LEU 87 HG LEU 87 -8.717 -0.864 3.660 684 HD11 LEU 87 1HD1 LEU 87 -9.548 -1.951 0.951 685 HD12 LEU 87 2HD1 LEU 87 -9.711 -2.798 2.491 686 HD13 LEU 87 3HD1 LEU 87 -8.110 -2.428 1.855 687 HD21 LEU 87 3HD2 LEU 87 -8.810 0.596 0.985 688 HD22 LEU 87 1HD2 LEU 87 -7.336 -0.136 1.617 689 HD23 LEU 87 2HD2 LEU 87 -8.106 1.174 2.494 690 H LYS 88 H LYS 88 -11.890 3.307 3.184 691 HA LYS 88 HA LYS 88 -14.347 2.607 4.644 692 HB2 LYS 88 2HB LYS 88 -13.430 5.169 3.285 693 HB3 LYS 88 1HB LYS 88 -14.922 4.989 4.209 694 HG2 LYS 88 2HG LYS 88 -13.628 4.401 6.219 695 HG3 LYS 88 1HG LYS 88 -12.124 4.552 5.309 696 HD2 LYS 88 2HD LYS 88 -12.632 6.936 4.870 697 HD3 LYS 88 1HD LYS 88 -14.127 6.783 5.794 698 HE2 LYS 88 2HE LYS 88 -11.328 6.338 6.885 699 HE3 LYS 88 1HE LYS 88 -12.336 7.754 7.184 700 HZ1 LYS 88 3HZ LYS 88 -12.653 5.008 8.171 701 HZ2 LYS 88 1HZ LYS 88 -14.037 5.964 7.956 702 HZ3 LYS 88 2HZ LYS 88 -12.804 6.479 9.007 703 H VAL 89 H VAL 89 -16.112 1.921 3.628 704 HA VAL 89 HA VAL 89 -16.260 1.952 0.667 705 HB VAL 89 HB VAL 89 -17.896 0.332 2.673 706 HG11 VAL 89 1HG1 VAL 89 -18.406 -1.060 0.688 707 HG12 VAL 89 2HG1 VAL 89 -17.455 0.025 -0.322 708 HG13 VAL 89 3HG1 VAL 89 -18.940 0.600 0.434 709 HG21 VAL 89 3HG2 VAL 89 -15.534 -0.276 2.882 710 HG22 VAL 89 1HG2 VAL 89 -15.366 -0.377 1.130 711 HG23 VAL 89 2HG2 VAL 89 -16.365 -1.547 1.991 712 H THR 90 H THR 90 -17.769 3.174 -0.337 713 HA THR 90 HA THR 90 -19.669 4.756 1.311 714 HB THR 90 HB THR 90 -18.867 5.073 -1.613 715 HG1 THR 90 1HG THR 90 -17.907 6.196 0.792 716 HG21 THR 90 3HG2 THR 90 -21.044 6.100 -1.076 717 HG22 THR 90 1HG2 THR 90 -19.825 7.349 -1.307 718 HG23 THR 90 2HG2 THR 90 -20.332 6.906 0.321 719 H GLN 91 H GLN 91 -21.691 3.955 1.453 720 HA GLN 91 HA GLN 91 -22.660 1.856 -0.272 721 HB2 GLN 91 2HB GLN 91 -24.122 3.551 1.786 722 HB3 GLN 91 1HB GLN 91 -24.729 2.062 1.061 723 HG2 GLN 91 2HG GLN 91 -22.189 2.268 2.720 724 HG3 GLN 91 1HG GLN 91 -23.740 1.698 3.329 725 HE21 GLN 91 1HE2 GLN 91 -20.832 0.562 2.179 726 HE22 GLN 91 2HE2 GLN 91 -21.343 -0.942 1.580 727 H LYS 92 H LYS 92 -23.964 2.010 -2.043 728 HA LYS 92 HA LYS 92 -24.533 4.689 -3.122 729 HB2 LYS 92 2HB LYS 92 -23.531 2.866 -4.542 730 HB3 LYS 92 1HB LYS 92 -25.029 1.953 -4.369 731 HG2 LYS 92 2HG LYS 92 -26.294 3.785 -5.434 732 HG3 LYS 92 1HG LYS 92 -24.820 4.745 -5.559 733 HD2 LYS 92 2HD LYS 92 -23.818 3.010 -7.018 734 HD3 LYS 92 1HD LYS 92 -25.301 2.063 -6.901 735 HE2 LYS 92 2HE LYS 92 -26.571 3.907 -7.936 736 HE3 LYS 92 1HE LYS 92 -25.100 4.871 -8.044 737 HZ1 LYS 92 3HZ LYS 92 -24.139 3.220 -9.488 738 HZ2 LYS 92 1HZ LYS 92 -25.624 3.739 -10.126 739 HZ3 LYS 92 2HZ LYS 92 -25.516 2.235 -9.344 740 H LEU 93 H LEU 93 -26.570 5.526 -3.399 741 HA LEU 93 HA LEU 93 -28.981 3.935 -2.923 742 HB2 LEU 93 2HB LEU 93 -29.824 5.537 -1.196 743 HB3 LEU 93 1HB LEU 93 -28.495 4.529 -0.640 744 HG LEU 93 HG LEU 93 -27.615 7.144 -1.867 745 HD11 LEU 93 1HD1 LEU 93 -28.133 8.475 0.124 746 HD12 LEU 93 2HD1 LEU 93 -29.055 7.126 0.794 747 HD13 LEU 93 3HD1 LEU 93 -29.601 7.927 -0.681 748 HD21 LEU 93 3HD2 LEU 93 -26.018 7.092 -0.037 749 HD22 LEU 93 1HD2 LEU 93 -26.107 5.492 -0.764 750 HD23 LEU 93 2HD2 LEU 93 -26.917 5.803 0.767 751 H GLU 94 H GLU 94 -28.177 5.038 -5.240 752 HA GLU 94 HA GLU 94 -30.277 7.022 -5.773 753 HB2 GLU 94 2HB GLU 94 -28.698 8.527 -6.968 754 HB3 GLU 94 1HB GLU 94 -28.356 8.440 -5.241 755 HG2 GLU 94 2HG GLU 94 -26.570 6.779 -5.683 756 HG3 GLU 94 1HG GLU 94 -26.887 6.897 -7.412 757 H HIS 95 H HIS 95 -30.596 7.371 -8.093 758 HA HIS 95 HA HIS 95 -29.452 5.421 -9.953 759 HB2 HIS 95 2HB HIS 95 -32.422 5.441 -9.308 760 HB3 HIS 95 1HB HIS 95 -31.643 4.488 -10.572 761 HD2 HIS 95 2HD HIS 95 -32.711 3.946 -7.013 762 HE1 HIS 95 1HE HIS 95 -29.393 1.384 -7.522 763 HE2 HIS 95 2HE HIS 95 -31.353 1.953 -6.011 764 H HIS 96 H HIS 96 -29.767 5.985 -12.105 765 HA HIS 96 HA HIS 96 -30.205 8.790 -12.612 766 HB2 HIS 96 2HB HIS 96 -29.796 6.474 -14.536 767 HB3 HIS 96 1HB HIS 96 -29.679 8.189 -14.939 768 HD2 HIS 96 2HD HIS 96 -27.433 5.394 -13.558 769 HE1 HIS 96 1HE HIS 96 -25.405 9.020 -12.810 770 HE2 HIS 96 2HE HIS 96 -25.183 6.490 -12.815 771 H HIS 97 H HIS 97 -32.376 6.534 -11.916 772 HA HIS 97 HA HIS 97 -34.605 6.198 -12.312 773 HB2 HIS 97 2HB HIS 97 -34.496 8.975 -13.540 774 HB3 HIS 97 1HB HIS 97 -35.928 8.147 -12.934 775 HD2 HIS 97 2HD HIS 97 -34.217 7.113 -10.089 776 HE1 HIS 97 1HE HIS 97 -34.243 11.266 -9.339 777 HE2 HIS 97 2HE HIS 97 -33.905 8.979 -8.292 778 H HIS 98 H HIS 98 -34.911 4.598 -13.764 779 HA HIS 98 HA HIS 98 -34.050 4.542 -16.423 780 HB2 HIS 98 2HB HIS 98 -35.683 2.677 -16.697 781 HB3 HIS 98 1HB HIS 98 -34.721 2.515 -15.229 782 HD2 HIS 98 2HD HIS 98 -36.165 3.212 -12.796 783 HE1 HIS 98 1HE HIS 98 -39.967 2.987 -14.615 784 HE2 HIS 98 2HE HIS 98 -38.745 3.150 -12.394 785 H HIS 99 H HIS 99 -37.144 5.604 -15.049 786 HA HIS 99 HA HIS 99 -38.511 6.038 -17.480 787 HB2 HIS 99 2HB HIS 99 -39.589 5.990 -15.229 788 HB3 HIS 99 1HB HIS 99 -38.842 7.541 -14.853 789 HD2 HIS 99 2HD HIS 99 -41.815 6.129 -16.967 790 HE1 HIS 99 1HE HIS 99 -41.779 10.322 -17.460 791 HE2 HIS 99 2HE HIS 99 -43.083 8.195 -17.937 792 H HIS 100 H HIS 100 -37.782 7.313 -19.080 793 HA HIS 100 HA HIS 100 -35.910 9.427 -18.771 794 HB2 HIS 100 2HB HIS 100 -37.839 8.873 -21.049 795 HB3 HIS 100 1HB HIS 100 -36.425 9.923 -21.130 796 HD2 HIS 100 2HD HIS 100 -37.280 6.200 -21.557 797 HE1 HIS 100 1HE HIS 100 -33.076 6.425 -21.236 798 HE2 HIS 100 2HE HIS 100 -35.026 4.903 -21.811
Contact the webmaster for help, if required. Thursday, May 23, 2024 8:41:18 AM GMT (wattos1)