NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
1278 | 1afo | cing | 1-original | 7 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H VAL 62 HT2 VAL 62 -11.141 15.265 7.965 2 2H VAL 62 HT1 VAL 62 -9.564 14.915 7.438 3 3H VAL 62 HT3 VAL 62 -10.746 15.389 6.318 4 HA VAL 62 HA VAL 62 -10.805 13.159 5.961 5 HB VAL 62 HB VAL 62 -9.082 12.506 7.486 6 1HG1 VAL 62 HG13 VAL 62 -10.960 13.660 9.499 7 2HG1 VAL 62 HG12 VAL 62 -9.936 12.320 10.017 8 3HG1 VAL 62 HG11 VAL 62 -9.205 13.798 9.391 9 1HG2 VAL 62 HG23 VAL 62 -10.908 10.807 6.931 10 2HG2 VAL 62 HG22 VAL 62 -9.951 10.456 8.370 11 3HG2 VAL 62 HG21 VAL 62 -11.571 11.134 8.532 12 H GLN 63 HN GLN 63 -13.035 13.681 5.524 13 HA GLN 63 HA GLN 63 -14.912 13.245 7.799 14 1HB GLN 63 HB2 GLN 63 -15.206 15.357 6.556 15 2HB GLN 63 HB1 GLN 63 -15.405 14.449 5.058 16 1HG GLN 63 HG2 GLN 63 -17.556 15.205 6.253 17 2HG GLN 63 HG1 GLN 63 -17.468 13.512 5.771 18 1HE2 GLN 63 HE22 GLN 63 -17.809 12.352 9.071 19 2HE2 GLN 63 HE21 GLN 63 -17.871 12.013 7.409 20 H LEU 64 HN LEU 64 -13.417 11.297 5.842 21 HA LEU 64 HA LEU 64 -13.939 9.311 4.681 22 1HB LEU 64 HB2 LEU 64 -15.230 9.377 7.223 23 2HB LEU 64 HB1 LEU 64 -16.342 8.620 6.081 24 HG LEU 64 HG LEU 64 -14.314 7.228 5.307 25 1HD1 LEU 64 HD13 LEU 64 -13.301 8.287 7.964 26 2HD1 LEU 64 HD12 LEU 64 -12.585 6.934 7.087 27 3HD1 LEU 64 HD11 LEU 64 -12.567 8.551 6.382 28 1HD2 LEU 64 HD22 LEU 64 -16.256 6.461 6.764 29 2HD2 LEU 64 HD21 LEU 64 -14.757 5.557 6.977 30 3HD2 LEU 64 HD23 LEU 64 -15.227 6.778 8.161 31 H ALA 65 HN ALA 65 -16.361 8.080 4.087 32 HA ALA 65 HA ALA 65 -18.253 9.999 2.974 33 1HB ALA 65 HB2 ALA 65 -15.981 9.224 1.395 34 2HB ALA 65 HB1 ALA 65 -17.436 8.535 0.676 35 3HB ALA 65 HB3 ALA 65 -17.323 10.274 0.943 36 H HIS 66 HN HIS 66 -18.224 7.587 4.678 37 HA HIS 66 HA HIS 66 -20.410 6.161 3.335 38 1HB HIS 66 HB2 HIS 66 -17.725 4.902 3.857 39 2HB HIS 66 HB1 HIS 66 -19.191 3.922 3.908 40 HD1 HIS 66 HD1 HIS 66 -16.934 5.752 1.568 41 HD2 HIS 66 HD2 HIS 66 -20.562 3.706 1.381 42 HE1 HIS 66 HE1 HIS 66 -17.413 5.365 -0.889 43 H HIS 67 HN HIS 67 -21.009 4.192 4.960 44 HA HIS 67 HA HIS 67 -20.372 4.270 7.686 45 1HB HIS 67 HB2 HIS 67 -21.671 6.657 6.928 46 2HB HIS 67 HB1 HIS 67 -22.877 5.708 7.797 47 HD1 HIS 67 HD1 HIS 67 -22.415 5.166 10.291 48 HD2 HIS 67 HD2 HIS 67 -19.436 7.470 8.503 49 HE1 HIS 67 HE1 HIS 67 -20.950 6.025 12.170 50 H PHE 68 HN PHE 68 -23.368 4.384 5.719 51 HA PHE 68 HA PHE 68 -24.710 2.379 7.280 52 1HB PHE 68 HB2 PHE 68 -25.173 3.778 4.706 53 2HB PHE 68 HB1 PHE 68 -25.955 2.206 4.875 54 HD1 PHE 68 HD2 PHE 68 -25.506 5.506 6.563 55 HD2 PHE 68 HD1 PHE 68 -27.885 1.945 6.220 56 HE1 PHE 68 HE2 PHE 68 -27.238 6.523 8.018 57 HE2 PHE 68 HE1 PHE 68 -29.617 2.963 7.676 58 HZ PHE 68 HZ PHE 68 -29.293 5.251 8.575 59 H SER 69 HN SER 69 -24.982 0.144 6.849 60 HA SER 69 HA SER 69 -24.199 -1.979 6.227 61 1HB SER 69 HB2 SER 69 -24.296 -2.393 3.927 62 2HB SER 69 HB1 SER 69 -25.266 -0.930 4.073 63 HG SER 69 HG SER 69 -23.624 -0.875 2.406 64 H GLU 70 HN GLU 70 -22.244 -3.109 5.065 65 HA GLU 70 HA GLU 70 -19.777 -1.509 5.625 66 1HB GLU 70 HB2 GLU 70 -20.122 -4.498 6.003 67 2HB GLU 70 HB1 GLU 70 -18.719 -3.529 6.453 68 1HG GLU 70 HG2 GLU 70 -20.561 -2.166 7.821 69 2HG GLU 70 HG1 GLU 70 -21.392 -3.721 7.771 70 HA PRO 71 HA PRO 71 -19.648 -2.557 1.192 71 1HB PRO 71 HB2 PRO 71 -17.528 -0.630 0.975 72 2HB PRO 71 HB1 PRO 71 -19.190 -0.487 0.389 73 1HG PRO 71 HG2 PRO 71 -17.990 0.865 2.643 74 2HG PRO 71 HG1 PRO 71 -19.642 1.024 2.033 75 1HD PRO 71 HD2 PRO 71 -18.782 -0.292 4.441 76 2HD PRO 71 HD1 PRO 71 -20.434 -0.170 3.802 77 H GLU 72 HN GLU 72 -18.614 -4.556 1.177 78 HA GLU 72 HA GLU 72 -16.198 -5.249 2.444 79 1HB GLU 72 HB2 GLU 72 -17.465 -6.275 -0.107 80 2HB GLU 72 HB1 GLU 72 -16.018 -7.001 0.594 81 1HG GLU 72 HG2 GLU 72 -17.517 -8.281 1.740 82 2HG GLU 72 HG1 GLU 72 -17.625 -6.868 2.790 83 H ILE 73 HN ILE 73 -16.729 -3.772 -0.743 84 HA ILE 73 HA ILE 73 -14.018 -3.871 -1.619 85 HB ILE 73 HB ILE 73 -16.091 -3.333 -3.001 86 1HG1 ILE 73 HG12 ILE 73 -14.783 -1.486 -4.284 87 2HG1 ILE 73 HG11 ILE 73 -13.539 -1.746 -3.061 88 1HG2 ILE 73 HG22 ILE 73 -16.956 -1.604 -1.403 89 2HG2 ILE 73 HG21 ILE 73 -15.608 -0.563 -1.860 90 3HG2 ILE 73 HG23 ILE 73 -16.822 -1.010 -3.059 91 1HD1 ILE 73 HD13 ILE 73 -14.279 -4.321 -3.818 92 2HD1 ILE 73 HD12 ILE 73 -14.266 -3.421 -5.336 93 3HD1 ILE 73 HD11 ILE 73 -12.820 -3.471 -4.328 94 H THR 74 HN THR 74 -15.847 -1.341 0.128 95 HA THR 74 HA THR 74 -13.781 0.592 0.223 96 HB THR 74 HB THR 74 -14.929 1.430 2.279 97 HG1 THR 74 HG1 THR 74 -15.624 -0.355 3.288 98 1HG2 THR 74 HG22 THR 74 -16.598 0.624 -0.109 99 2HG2 THR 74 HG21 THR 74 -17.202 1.689 1.160 100 3HG2 THR 74 HG23 THR 74 -15.814 2.175 0.187 101 H LEU 75 HN LEU 75 -14.498 -2.060 2.530 102 HA LEU 75 HA LEU 75 -12.270 -1.432 4.253 103 1HB LEU 75 HB2 LEU 75 -14.350 -3.019 4.642 104 2HB LEU 75 HB1 LEU 75 -13.279 -4.244 3.962 105 HG LEU 75 HG LEU 75 -12.861 -2.573 6.445 106 1HD1 LEU 75 HD13 LEU 75 -13.938 -5.074 6.069 107 2HD1 LEU 75 HD12 LEU 75 -12.246 -5.454 6.394 108 3HD1 LEU 75 HD11 LEU 75 -13.181 -4.523 7.564 109 1HD2 LEU 75 HD22 LEU 75 -10.849 -4.095 4.775 110 2HD2 LEU 75 HD21 LEU 75 -10.741 -2.437 5.366 111 3HD2 LEU 75 HD23 LEU 75 -10.592 -3.786 6.492 112 H ILE 76 HN ILE 76 -12.634 -3.834 1.603 113 HA ILE 76 HA ILE 76 -9.998 -4.880 1.796 114 HB ILE 76 HB ILE 76 -11.735 -4.481 -0.665 115 1HG1 ILE 76 HG12 ILE 76 -11.217 -7.015 0.904 116 2HG1 ILE 76 HG11 ILE 76 -12.559 -5.936 1.287 117 1HG2 ILE 76 HG23 ILE 76 -9.199 -6.076 -0.214 118 2HG2 ILE 76 HG22 ILE 76 -10.276 -6.331 -1.587 119 3HG2 ILE 76 HG21 ILE 76 -9.454 -4.783 -1.387 120 1HD1 ILE 76 HD13 ILE 76 -12.122 -6.957 -1.518 121 2HD1 ILE 76 HD12 ILE 76 -13.037 -7.890 -0.334 122 3HD1 ILE 76 HD11 ILE 76 -13.592 -6.286 -0.812 123 H ILE 77 HN ILE 77 -11.259 -2.140 -0.110 124 HA ILE 77 HA ILE 77 -8.793 -1.321 -1.263 125 HB ILE 77 HB ILE 77 -11.231 0.275 -0.423 126 1HG1 ILE 77 HG12 ILE 77 -10.232 -0.604 -3.151 127 2HG1 ILE 77 HG11 ILE 77 -11.492 -1.434 -2.238 128 1HG2 ILE 77 HG23 ILE 77 -8.638 1.237 -1.054 129 2HG2 ILE 77 HG22 ILE 77 -9.644 1.530 -2.472 130 3HG2 ILE 77 HG21 ILE 77 -10.124 2.175 -0.902 131 1HD1 ILE 77 HD12 ILE 77 -11.639 1.496 -2.991 132 2HD1 ILE 77 HD11 ILE 77 -12.357 0.206 -3.957 133 3HD1 ILE 77 HD13 ILE 77 -12.927 0.499 -2.314 134 H PHE 78 HN PHE 78 -10.361 -0.373 1.789 135 HA PHE 78 HA PHE 78 -8.400 1.458 2.690 136 1HB PHE 78 HB2 PHE 78 -10.417 -0.289 4.063 137 2HB PHE 78 HB1 PHE 78 -9.193 0.523 5.038 138 HD1 PHE 78 HD2 PHE 78 -10.767 1.728 1.878 139 HD2 PHE 78 HD1 PHE 78 -10.429 2.222 6.132 140 HE1 PHE 78 HE2 PHE 78 -12.045 3.849 1.734 141 HE2 PHE 78 HE1 PHE 78 -11.706 4.343 5.988 142 HZ PHE 78 HZ PHE 78 -12.514 5.157 3.789 143 H GLY 79 HN GLY 79 -8.615 -2.077 3.240 144 1HA GLY 79 HA2 GLY 79 -6.278 -2.309 4.833 145 2HA GLY 79 HA1 GLY 79 -6.901 -3.595 3.795 146 H VAL 80 HN VAL 80 -6.629 -2.495 1.270 147 HA VAL 80 HA VAL 80 -3.880 -2.900 0.670 148 HB VAL 80 HB VAL 80 -5.941 -1.331 -0.908 149 1HG1 VAL 80 HG12 VAL 80 -3.174 -1.639 -1.327 150 2HG1 VAL 80 HG11 VAL 80 -3.944 -2.781 -2.429 151 3HG1 VAL 80 HG13 VAL 80 -4.364 -1.069 -2.498 152 1HG2 VAL 80 HG21 VAL 80 -6.124 -3.939 -0.154 153 2HG2 VAL 80 HG23 VAL 80 -6.764 -3.324 -1.678 154 3HG2 VAL 80 HG22 VAL 80 -5.184 -4.106 -1.637 155 H MET 81 HN MET 81 -5.741 0.114 1.021 156 HA MET 81 HA MET 81 -3.617 1.935 0.557 157 1HB MET 81 HB2 MET 81 -6.098 2.125 2.279 158 2HB MET 81 HB1 MET 81 -4.994 3.482 2.050 159 1HG MET 81 HG2 MET 81 -5.303 2.846 -0.515 160 2HG MET 81 HG1 MET 81 -6.820 2.169 0.077 161 1HE MET 81 HE3 MET 81 -6.031 4.155 -1.915 162 2HE MET 81 HE2 MET 81 -7.607 4.941 -1.873 163 3HE MET 81 HE1 MET 81 -6.152 5.884 -1.563 164 H ALA 82 HN ALA 82 -4.749 0.467 3.604 165 HA ALA 82 HA ALA 82 -2.912 1.746 5.326 166 1HB ALA 82 HB1 ALA 82 -4.677 -0.590 5.473 167 2HB ALA 82 HB3 ALA 82 -3.214 -0.776 6.445 168 3HB ALA 82 HB2 ALA 82 -4.281 0.602 6.708 169 H GLY 83 HN GLY 83 -2.514 -1.357 3.529 170 1HA GLY 83 HA2 GLY 83 0.067 -1.964 4.536 171 2HA GLY 83 HA1 GLY 83 -0.522 -2.456 2.946 172 H VAL 84 HN VAL 84 -0.895 -0.041 1.681 173 HA VAL 84 HA VAL 84 1.717 0.663 0.823 174 HB VAL 84 HB VAL 84 -0.898 2.186 0.665 175 1HG1 VAL 84 HG13 VAL 84 1.849 2.808 -0.414 176 2HG1 VAL 84 HG12 VAL 84 0.400 3.378 -1.243 177 3HG1 VAL 84 HG11 VAL 84 0.724 3.883 0.416 178 1HG2 VAL 84 HG21 VAL 84 0.303 -0.015 -0.785 179 2HG2 VAL 84 HG23 VAL 84 -1.306 0.683 -0.967 180 3HG2 VAL 84 HG22 VAL 84 0.055 1.361 -1.859 181 H ILE 85 HN ILE 85 -0.456 2.341 3.120 182 HA ILE 85 HA ILE 85 1.240 4.523 3.717 183 HB ILE 85 HB ILE 85 -0.653 3.062 5.584 184 1HG1 ILE 85 HG12 ILE 85 -1.582 3.919 3.367 185 2HG1 ILE 85 HG11 ILE 85 -2.343 4.582 4.814 186 1HG2 ILE 85 HG23 ILE 85 1.022 5.476 5.833 187 2HG2 ILE 85 HG22 ILE 85 -0.669 5.720 6.268 188 3HG2 ILE 85 HG21 ILE 85 0.283 4.485 7.091 189 1HD1 ILE 85 HD11 ILE 85 0.014 6.021 3.656 190 2HD1 ILE 85 HD13 ILE 85 -1.548 6.184 2.854 191 3HD1 ILE 85 HD12 ILE 85 -1.368 6.668 4.541 192 H GLY 86 HN GLY 86 1.063 1.319 5.327 193 1HA GLY 86 HA2 GLY 86 3.045 1.816 7.286 194 2HA GLY 86 HA1 GLY 86 2.682 0.220 6.626 195 H THR 87 HN THR 87 3.405 0.503 3.977 196 HA THR 87 HA THR 87 6.223 0.170 4.037 197 HB THR 87 HB THR 87 4.489 0.997 1.688 198 HG1 THR 87 HG1 THR 87 3.767 -0.921 2.535 199 1HG2 THR 87 HG23 THR 87 7.151 1.117 1.700 200 2HG2 THR 87 HG22 THR 87 6.991 -0.621 1.447 201 3HG2 THR 87 HG21 THR 87 6.272 0.506 0.298 202 H ILE 88 HN ILE 88 4.270 2.988 3.064 203 HA ILE 88 HA ILE 88 6.403 4.718 2.376 204 HB ILE 88 HB ILE 88 3.701 5.338 3.604 205 1HG1 ILE 88 HG12 ILE 88 4.762 5.345 0.760 206 2HG1 ILE 88 HG11 ILE 88 3.559 4.243 1.429 207 1HG2 ILE 88 HG21 ILE 88 5.985 7.036 3.149 208 2HG2 ILE 88 HG23 ILE 88 4.681 7.499 2.055 209 3HG2 ILE 88 HG22 ILE 88 4.402 7.469 3.796 210 1HD1 ILE 88 HD13 ILE 88 2.348 6.553 2.035 211 2HD1 ILE 88 HD12 ILE 88 3.278 7.107 0.643 212 3HD1 ILE 88 HD11 ILE 88 2.134 5.776 0.467 213 H LEU 89 HN LEU 89 4.805 4.230 5.537 214 HA LEU 89 HA LEU 89 6.326 6.124 6.989 215 1HB LEU 89 HB2 LEU 89 4.837 5.398 8.522 216 2HB LEU 89 HB1 LEU 89 4.491 3.961 7.570 217 HG LEU 89 HG LEU 89 6.605 2.943 8.551 218 1HD1 LEU 89 HD11 LEU 89 7.581 5.134 9.272 219 2HD1 LEU 89 HD13 LEU 89 6.314 5.256 10.493 220 3HD1 LEU 89 HD12 LEU 89 7.501 3.954 10.580 221 1HD2 LEU 89 HD22 LEU 89 3.991 3.323 9.697 222 2HD2 LEU 89 HD21 LEU 89 5.056 1.924 9.832 223 3HD2 LEU 89 HD23 LEU 89 5.184 3.245 10.993 224 H LEU 90 HN LEU 90 6.982 2.658 6.379 225 HA LEU 90 HA LEU 90 9.431 2.507 7.822 226 1HB LEU 90 HB2 LEU 90 8.180 0.570 6.745 227 2HB LEU 90 HB1 LEU 90 8.867 1.085 5.203 228 HG LEU 90 HG LEU 90 11.152 0.982 6.399 229 1HD1 LEU 90 HD13 LEU 90 10.005 0.792 8.677 230 2HD1 LEU 90 HD12 LEU 90 9.630 -0.875 8.240 231 3HD1 LEU 90 HD11 LEU 90 11.310 -0.354 8.372 232 1HD2 LEU 90 HD22 LEU 90 9.430 -1.216 5.404 233 2HD2 LEU 90 HD21 LEU 90 11.045 -0.731 4.888 234 3HD2 LEU 90 HD23 LEU 90 10.842 -1.727 6.329 235 H ILE 91 HN ILE 91 8.834 3.367 4.409 236 HA ILE 91 HA ILE 91 11.531 3.836 3.667 237 HB ILE 91 HB ILE 91 9.032 5.270 2.713 238 1HG1 ILE 91 HG12 ILE 91 10.484 2.945 1.428 239 2HG1 ILE 91 HG11 ILE 91 9.133 2.716 2.539 240 1HG2 ILE 91 HG22 ILE 91 11.489 6.162 2.243 241 2HG2 ILE 91 HG21 ILE 91 11.495 4.857 1.057 242 3HG2 ILE 91 HG23 ILE 91 10.281 6.133 0.958 243 1HD1 ILE 91 HD12 ILE 91 8.298 4.699 0.714 244 2HD1 ILE 91 HD11 ILE 91 9.074 3.448 -0.256 245 3HD1 ILE 91 HD13 ILE 91 7.730 3.032 0.807 246 H SER 92 HN SER 92 9.128 6.111 5.039 247 HA SER 92 HA SER 92 10.801 8.397 5.026 248 1HB SER 92 HB2 SER 92 8.734 7.630 7.111 249 2HB SER 92 HB1 SER 92 9.375 9.248 6.843 250 HG SER 92 HG SER 92 7.293 8.310 5.728 251 H TYR 93 HN TYR 93 10.393 5.897 7.565 252 HA TYR 93 HA TYR 93 12.274 6.990 9.392 253 1HB TYR 93 HB2 TYR 93 10.919 4.442 9.007 254 2HB TYR 93 HB1 TYR 93 12.571 4.212 9.582 255 HD1 TYR 93 HD2 TYR 93 13.031 6.610 11.205 256 HD2 TYR 93 HD1 TYR 93 9.535 4.135 10.888 257 HE1 TYR 93 HE2 TYR 93 12.336 7.300 13.484 258 HE2 TYR 93 HE1 TYR 93 8.840 4.824 13.167 259 HH TYR 93 HH TYR 93 10.950 6.642 15.259 260 H GLY 94 HN GLY 94 12.772 4.637 6.737 261 1HA GLY 94 HA2 GLY 94 15.564 4.290 7.079 262 2HA GLY 94 HA1 GLY 94 14.717 4.106 5.542 263 H ILE 95 HN ILE 95 13.786 6.650 5.075 264 HA ILE 95 HA ILE 95 16.063 7.960 4.002 265 HB ILE 95 HB ILE 95 13.364 8.298 3.700 266 1HG1 ILE 95 HG12 ILE 95 14.002 10.244 2.259 267 2HG1 ILE 95 HG11 ILE 95 15.611 10.197 2.980 268 1HG2 ILE 95 HG23 ILE 95 13.250 9.650 5.807 269 2HG2 ILE 95 HG22 ILE 95 14.356 10.811 5.078 270 3HG2 ILE 95 HG21 ILE 95 12.759 10.553 4.377 271 1HD1 ILE 95 HD12 ILE 95 14.892 7.545 2.139 272 2HD1 ILE 95 HD11 ILE 95 14.648 8.660 0.794 273 3HD1 ILE 95 HD13 ILE 95 16.225 8.553 1.575 274 H ARG 96 HN ARG 96 14.265 8.655 7.006 275 HA ARG 96 HA ARG 96 15.789 10.888 7.851 276 1HB ARG 96 HB2 ARG 96 14.489 8.708 9.517 277 2HB ARG 96 HB1 ARG 96 15.081 10.242 10.157 278 1HG ARG 96 HG2 ARG 96 13.524 11.088 8.063 279 2HG ARG 96 HG1 ARG 96 12.632 9.670 8.616 280 1HD ARG 96 HD2 ARG 96 13.519 11.993 10.353 281 2HD ARG 96 HD1 ARG 96 11.871 11.680 9.811 282 HE ARG 96 HE ARG 96 12.603 9.342 11.114 283 1HH1 ARG 96 HH21 ARG 96 14.285 10.399 13.059 284 2HH1 ARG 96 HH22 ARG 96 13.263 11.173 14.223 285 1HH2 ARG 96 HH11 ARG 96 10.524 11.336 12.103 286 2HH2 ARG 96 HH12 ARG 96 11.133 11.703 13.682 287 H ARG 97 HN ARG 97 16.328 7.408 8.467 288 HA ARG 97 HA ARG 97 18.658 7.720 10.041 289 1HB ARG 97 HB2 ARG 97 17.391 5.554 9.589 290 2HB ARG 97 HB1 ARG 97 18.226 5.491 8.037 291 1HG ARG 97 HG2 ARG 97 20.044 6.013 10.272 292 2HG ARG 97 HG1 ARG 97 19.197 4.473 10.428 293 1HD ARG 97 HD2 ARG 97 20.560 5.321 7.865 294 2HD ARG 97 HD1 ARG 97 21.391 4.406 9.121 295 HE ARG 97 HE ARG 97 19.924 3.129 7.212 296 1HH1 ARG 97 HH21 ARG 97 20.589 2.551 10.365 297 2HH1 ARG 97 HH22 ARG 97 19.177 1.611 10.716 298 1HH2 ARG 97 HH11 ARG 97 17.582 2.411 7.742 299 2HH2 ARG 97 HH12 ARG 97 17.474 1.533 9.230 300 H LEU 98 HN LEU 98 18.335 7.403 6.501 301 HA LEU 98 HA LEU 98 21.091 7.500 5.863 302 1HB LEU 98 HB2 LEU 98 18.602 7.710 4.454 303 2HB LEU 98 HB1 LEU 98 19.674 8.994 3.895 304 HG LEU 98 HG LEU 98 20.732 6.198 4.208 305 1HD1 LEU 98 HD13 LEU 98 18.743 7.155 2.247 306 2HD1 LEU 98 HD12 LEU 98 20.157 6.378 1.535 307 3HD1 LEU 98 HD11 LEU 98 19.167 5.506 2.706 308 1HD2 LEU 98 HD22 LEU 98 21.489 8.753 2.886 309 2HD2 LEU 98 HD21 LEU 98 22.513 7.527 3.634 310 3HD2 LEU 98 HD23 LEU 98 21.882 7.275 2.007 311 H ILE 99 HN ILE 99 18.765 10.197 6.235 312 HA ILE 99 HA ILE 99 20.915 12.165 5.905 313 HB ILE 99 HB ILE 99 19.018 13.773 6.564 314 1HG1 ILE 99 HG12 ILE 99 17.123 11.568 5.926 315 2HG1 ILE 99 HG11 ILE 99 17.810 11.571 7.549 316 1HG2 ILE 99 HG23 ILE 99 19.758 13.030 4.197 317 2HG2 ILE 99 HG22 ILE 99 18.320 12.009 4.217 318 3HG2 ILE 99 HG21 ILE 99 18.161 13.759 4.360 319 1HD1 ILE 99 HD12 ILE 99 17.180 14.197 7.298 320 2HD1 ILE 99 HD11 ILE 99 15.921 13.480 6.291 321 3HD1 ILE 99 HD13 ILE 99 16.079 13.001 7.981 322 H LYS 100 HN LYS 100 18.825 13.198 8.370 323 HA LYS 100 HA LYS 100 19.315 13.739 10.603 324 1HB LYS 100 HB2 LYS 100 19.150 10.961 10.274 325 2HB LYS 100 HB1 LYS 100 20.595 11.210 11.255 326 1HG LYS 100 HG2 LYS 100 19.052 11.244 12.954 327 2HG LYS 100 HG1 LYS 100 18.939 12.941 12.487 328 1HD LYS 100 HD2 LYS 100 17.236 11.490 10.736 329 2HD LYS 100 HD1 LYS 100 16.901 10.920 12.372 330 1HE LYS 100 HE2 LYS 100 17.219 13.851 12.086 331 2HE LYS 100 HE1 LYS 100 15.790 13.163 11.316 332 1HZ LYS 100 HZ1 LYS 100 15.884 11.909 13.719 333 2HZ LYS 100 HZ3 LYS 100 16.388 13.482 14.103 334 3HZ LYS 100 HZ2 LYS 100 14.893 13.234 13.336 335 H LYS 101 HN LYS 101 21.289 13.256 12.338 336 HA LYS 101 HA LYS 101 23.539 13.710 12.848 337 1HB LYS 101 HB2 LYS 101 23.793 11.858 11.019 338 2HB LYS 101 HB1 LYS 101 24.261 13.198 9.972 339 1HG LYS 101 HG2 LYS 101 25.736 13.727 12.220 340 2HG LYS 101 HG1 LYS 101 25.730 11.963 12.211 341 1HD LYS 101 HD2 LYS 101 26.771 11.844 10.108 342 2HD LYS 101 HD1 LYS 101 26.325 13.498 9.690 343 1HE LYS 101 HE2 LYS 101 28.731 13.325 10.255 344 2HE LYS 101 HE1 LYS 101 27.872 14.364 11.392 345 1HZ LYS 101 HZ2 LYS 101 27.582 12.145 12.686 346 2HZ LYS 101 HZ1 LYS 101 28.939 11.657 11.788 347 3HZ LYS 101 HZ3 LYS 101 29.038 13.013 12.803 348 1H VAL 62 HT3 VAL 62 -3.612 -5.433 -9.691 349 2H VAL 62 HT2 VAL 62 -2.779 -4.023 -9.238 350 3H VAL 62 HT1 VAL 62 -2.902 -5.325 -8.154 351 HA VAL 62 HA VAL 62 -4.757 -4.493 -7.319 352 HB VAL 62 HB VAL 62 -3.717 -2.318 -8.017 353 1HG1 VAL 62 HG11 VAL 62 -4.354 -3.160 -10.562 354 2HG1 VAL 62 HG13 VAL 62 -5.614 -1.969 -10.239 355 3HG1 VAL 62 HG12 VAL 62 -3.915 -1.508 -10.128 356 1HG2 VAL 62 HG22 VAL 62 -5.964 -2.549 -6.818 357 2HG2 VAL 62 HG21 VAL 62 -5.709 -1.031 -7.679 358 3HG2 VAL 62 HG23 VAL 62 -6.722 -2.288 -8.389 359 H GLN 63 HN GLN 63 -5.403 -6.642 -8.673 360 HA GLN 63 HA GLN 63 -7.132 -6.313 -10.939 361 1HB GLN 63 HB2 GLN 63 -6.921 -8.498 -8.849 362 2HB GLN 63 HB1 GLN 63 -8.002 -8.599 -10.238 363 1HG GLN 63 HG2 GLN 63 -4.979 -8.422 -10.257 364 2HG GLN 63 HG1 GLN 63 -5.990 -9.727 -10.879 365 1HE2 GLN 63 HE22 GLN 63 -7.011 -7.794 -13.790 366 2HE2 GLN 63 HE21 GLN 63 -7.660 -8.869 -12.647 367 H LEU 64 HN LEU 64 -9.406 -6.144 -11.032 368 HA LEU 64 HA LEU 64 -10.821 -5.742 -8.441 369 1HB LEU 64 HB2 LEU 64 -10.027 -3.609 -9.964 370 2HB LEU 64 HB1 LEU 64 -11.638 -3.919 -10.613 371 HG LEU 64 HG LEU 64 -12.579 -3.847 -8.337 372 1HD1 LEU 64 HD11 LEU 64 -9.701 -3.833 -7.659 373 2HD1 LEU 64 HD13 LEU 64 -10.687 -2.708 -6.724 374 3HD1 LEU 64 HD12 LEU 64 -11.075 -4.428 -6.726 375 1HD2 LEU 64 HD23 LEU 64 -11.866 -1.726 -9.852 376 2HD2 LEU 64 HD22 LEU 64 -12.682 -1.553 -8.298 377 3HD2 LEU 64 HD21 LEU 64 -10.931 -1.369 -8.400 378 H ALA 65 HN ALA 65 -10.680 -7.517 -11.140 379 HA ALA 65 HA ALA 65 -13.483 -7.420 -11.970 380 1HB ALA 65 HB3 ALA 65 -11.055 -8.973 -12.731 381 2HB ALA 65 HB2 ALA 65 -12.618 -9.728 -13.043 382 3HB ALA 65 HB1 ALA 65 -12.237 -8.161 -13.758 383 H HIS 66 HN HIS 66 -11.750 -8.871 -9.423 384 HA HIS 66 HA HIS 66 -12.588 -10.200 -7.659 385 1HB HIS 66 HB2 HIS 66 -14.896 -9.250 -8.798 386 2HB HIS 66 HB1 HIS 66 -15.086 -10.990 -9.013 387 HD1 HIS 66 HD1 HIS 66 -14.596 -8.385 -6.316 388 HD2 HIS 66 HD2 HIS 66 -15.553 -12.429 -6.640 389 HE1 HIS 66 HE1 HIS 66 -15.313 -9.138 -4.007 390 H HIS 67 HN HIS 67 -11.483 -12.092 -7.607 391 HA HIS 67 HA HIS 67 -12.366 -14.520 -8.654 392 1HB HIS 67 HB2 HIS 67 -11.078 -12.846 -10.677 393 2HB HIS 67 HB1 HIS 67 -10.285 -14.411 -10.497 394 HD1 HIS 67 HD1 HIS 67 -12.814 -12.971 -12.452 395 HD2 HIS 67 HD2 HIS 67 -12.611 -16.519 -10.273 396 HE1 HIS 67 HE1 HIS 67 -14.602 -14.494 -13.397 397 H PHE 68 HN PHE 68 -10.953 -13.456 -6.386 398 HA PHE 68 HA PHE 68 -8.623 -15.302 -6.421 399 1HB PHE 68 HB2 PHE 68 -8.538 -12.367 -6.142 400 2HB PHE 68 HB1 PHE 68 -7.663 -13.241 -4.884 401 HD1 PHE 68 HD1 PHE 68 -8.128 -13.184 -8.605 402 HD2 PHE 68 HD2 PHE 68 -5.497 -14.011 -5.312 403 HE1 PHE 68 HE1 PHE 68 -6.276 -13.624 -10.195 404 HE2 PHE 68 HE2 PHE 68 -3.645 -14.449 -6.902 405 HZ PHE 68 HZ PHE 68 -4.034 -14.256 -9.344 406 H SER 69 HN SER 69 -9.341 -12.923 -3.926 407 HA SER 69 HA SER 69 -9.782 -15.126 -2.015 408 1HB SER 69 HB2 SER 69 -9.570 -12.125 -1.669 409 2HB SER 69 HB1 SER 69 -9.845 -13.245 -0.338 410 HG SER 69 HG SER 69 -7.887 -14.321 -1.079 411 H GLU 70 HN GLU 70 -11.838 -15.943 -2.122 412 HA GLU 70 HA GLU 70 -14.142 -14.385 -2.861 413 1HB GLU 70 HB2 GLU 70 -13.576 -17.140 -2.044 414 2HB GLU 70 HB1 GLU 70 -15.127 -16.552 -1.443 415 1HG GLU 70 HG2 GLU 70 -15.831 -17.226 -3.522 416 2HG GLU 70 HG1 GLU 70 -15.266 -15.615 -3.966 417 HA PRO 71 HA PRO 71 -15.132 -14.577 1.892 418 1HB PRO 71 HB2 PRO 71 -12.603 -14.878 3.250 419 2HB PRO 71 HB1 PRO 71 -14.015 -15.942 3.318 420 1HG PRO 71 HG2 PRO 71 -11.515 -16.447 1.994 421 2HG PRO 71 HG1 PRO 71 -12.951 -17.479 2.016 422 1HD PRO 71 HD2 PRO 71 -11.922 -15.915 -0.180 423 2HD PRO 71 HD1 PRO 71 -13.344 -16.978 -0.168 424 H GLU 72 HN GLU 72 -14.924 -12.740 3.354 425 HA GLU 72 HA GLU 72 -13.832 -10.383 2.129 426 1HB GLU 72 HB2 GLU 72 -14.740 -10.848 4.986 427 2HB GLU 72 HB1 GLU 72 -14.440 -9.269 4.259 428 1HG GLU 72 HG2 GLU 72 -16.459 -9.261 3.260 429 2HG GLU 72 HG1 GLU 72 -16.198 -10.872 2.590 430 H ILE 73 HN ILE 73 -12.972 -11.536 5.398 431 HA ILE 73 HA ILE 73 -10.615 -10.216 5.783 432 HB ILE 73 HB ILE 73 -11.769 -11.997 7.266 433 1HG1 ILE 73 HG12 ILE 73 -9.040 -12.609 7.763 434 2HG1 ILE 73 HG11 ILE 73 -9.106 -10.962 7.133 435 1HG2 ILE 73 HG23 ILE 73 -11.437 -13.819 5.529 436 2HG2 ILE 73 HG22 ILE 73 -9.719 -13.778 5.925 437 3HG2 ILE 73 HG21 ILE 73 -10.897 -14.234 7.155 438 1HD1 ILE 73 HD13 ILE 73 -11.170 -10.796 8.813 439 2HD1 ILE 73 HD12 ILE 73 -10.287 -12.081 9.638 440 3HD1 ILE 73 HD11 ILE 73 -9.517 -10.518 9.362 441 H THR 74 HN THR 74 -10.980 -13.174 3.836 442 HA THR 74 HA THR 74 -8.213 -13.525 3.247 443 HB THR 74 HB THR 74 -9.202 -14.635 1.094 444 HG1 THR 74 HG1 THR 74 -11.316 -13.408 2.008 445 1HG2 THR 74 HG23 THR 74 -8.677 -15.527 3.617 446 2HG2 THR 74 HG22 THR 74 -10.380 -15.955 3.458 447 3HG2 THR 74 HG21 THR 74 -9.205 -16.566 2.294 448 H LEU 75 HN LEU 75 -10.758 -11.734 1.471 449 HA LEU 75 HA LEU 75 -8.875 -10.814 -0.544 450 1HB LEU 75 HB2 LEU 75 -11.582 -10.926 -0.477 451 2HB LEU 75 HB1 LEU 75 -11.341 -9.232 -0.051 452 HG LEU 75 HG LEU 75 -10.435 -10.679 -2.544 453 1HD1 LEU 75 HD11 LEU 75 -12.601 -8.965 -1.858 454 2HD1 LEU 75 HD13 LEU 75 -11.528 -8.052 -2.918 455 3HD1 LEU 75 HD12 LEU 75 -12.187 -9.599 -3.450 456 1HD2 LEU 75 HD22 LEU 75 -9.485 -8.033 -1.410 457 2HD2 LEU 75 HD21 LEU 75 -8.498 -9.425 -1.856 458 3HD2 LEU 75 HD23 LEU 75 -9.300 -8.475 -3.107 459 H ILE 76 HN ILE 76 -10.401 -9.224 2.307 460 HA ILE 76 HA ILE 76 -9.148 -6.708 1.929 461 HB ILE 76 HB ILE 76 -9.771 -8.068 4.569 462 1HG1 ILE 76 HG12 ILE 76 -11.500 -6.116 3.037 463 2HG1 ILE 76 HG11 ILE 76 -11.655 -7.862 2.834 464 1HG2 ILE 76 HG21 ILE 76 -8.293 -6.050 4.682 465 2HG2 ILE 76 HG23 ILE 76 -9.553 -5.127 3.862 466 3HG2 ILE 76 HG22 ILE 76 -9.856 -5.806 5.461 467 1HD1 ILE 76 HD11 ILE 76 -11.564 -7.061 5.648 468 2HD1 ILE 76 HD13 ILE 76 -12.925 -6.347 4.782 469 3HD1 ILE 76 HD12 ILE 76 -12.722 -8.099 4.815 470 H ILE 77 HN ILE 77 -7.994 -9.539 3.814 471 HA ILE 77 HA ILE 77 -5.516 -8.375 4.601 472 HB ILE 77 HB ILE 77 -6.490 -10.565 5.441 473 1HG1 ILE 77 HG12 ILE 77 -3.853 -11.494 4.823 474 2HG1 ILE 77 HG11 ILE 77 -3.787 -9.746 5.054 475 1HG2 ILE 77 HG23 ILE 77 -5.256 -11.598 2.874 476 2HG2 ILE 77 HG22 ILE 77 -5.898 -12.594 4.178 477 3HG2 ILE 77 HG21 ILE 77 -6.978 -11.559 3.249 478 1HD1 ILE 77 HD11 ILE 77 -5.467 -10.578 7.093 479 2HD1 ILE 77 HD13 ILE 77 -4.264 -11.865 7.020 480 3HD1 ILE 77 HD12 ILE 77 -3.755 -10.196 7.271 481 H PHE 78 HN PHE 78 -6.370 -10.314 1.751 482 HA PHE 78 HA PHE 78 -3.821 -10.334 0.509 483 1HB PHE 78 HB2 PHE 78 -6.608 -10.765 -0.369 484 2HB PHE 78 HB1 PHE 78 -5.527 -10.191 -1.637 485 HD1 PHE 78 HD2 PHE 78 -5.709 -12.722 1.120 486 HD2 PHE 78 HD1 PHE 78 -4.111 -11.699 -2.734 487 HE1 PHE 78 HE2 PHE 78 -4.719 -14.988 0.929 488 HE2 PHE 78 HE1 PHE 78 -3.120 -13.965 -2.925 489 HZ PHE 78 HZ PHE 78 -3.424 -15.609 -1.093 490 H GLY 79 HN GLY 79 -6.482 -7.972 0.185 491 1HA GLY 79 HA2 GLY 79 -5.238 -6.277 -1.708 492 2HA GLY 79 HA1 GLY 79 -6.412 -5.728 -0.509 493 H VAL 80 HN VAL 80 -5.050 -6.174 1.877 494 HA VAL 80 HA VAL 80 -3.339 -3.915 2.052 495 HB VAL 80 HB VAL 80 -3.423 -6.383 3.812 496 1HG1 VAL 80 HG11 VAL 80 -1.462 -4.506 3.823 497 2HG1 VAL 80 HG13 VAL 80 -2.640 -3.727 4.880 498 3HG1 VAL 80 HG12 VAL 80 -2.020 -5.330 5.280 499 1HG2 VAL 80 HG23 VAL 80 -5.463 -4.656 3.328 500 2HG2 VAL 80 HG22 VAL 80 -5.215 -5.438 4.890 501 3HG2 VAL 80 HG21 VAL 80 -4.635 -3.793 4.625 502 H MET 81 HN MET 81 -2.526 -7.384 1.778 503 HA MET 81 HA MET 81 0.303 -7.083 1.716 504 1HB MET 81 HB2 MET 81 -1.419 -9.108 0.246 505 2HB MET 81 HB1 MET 81 0.313 -9.261 0.545 506 1HG MET 81 HG2 MET 81 -0.280 -8.977 3.041 507 2HG MET 81 HG1 MET 81 -1.942 -9.304 2.551 508 1HE MET 81 HE3 MET 81 -1.679 -11.018 0.175 509 2HE MET 81 HE2 MET 81 -1.569 -12.701 0.682 510 3HE MET 81 HE1 MET 81 -2.754 -11.637 1.436 511 H ALA 82 HN ALA 82 -2.089 -7.106 -0.910 512 HA ALA 82 HA ALA 82 -0.309 -6.728 -3.072 513 1HB ALA 82 HB1 ALA 82 -3.190 -6.522 -2.638 514 2HB ALA 82 HB3 ALA 82 -2.609 -5.323 -3.797 515 3HB ALA 82 HB2 ALA 82 -2.304 -7.036 -4.071 516 H GLY 83 HN GLY 83 -1.959 -4.251 -1.046 517 1HA GLY 83 HA2 GLY 83 -1.004 -1.990 -2.448 518 2HA GLY 83 HA1 GLY 83 -1.383 -2.001 -0.724 519 H VAL 84 HN VAL 84 0.511 -3.764 0.285 520 HA VAL 84 HA VAL 84 2.835 -2.138 0.466 521 HB VAL 84 HB VAL 84 2.627 -5.137 0.885 522 1HG1 VAL 84 HG11 VAL 84 4.950 -4.138 0.677 523 2HG1 VAL 84 HG13 VAL 84 4.576 -3.160 2.096 524 3HG1 VAL 84 HG12 VAL 84 4.615 -4.918 2.223 525 1HG2 VAL 84 HG21 VAL 84 2.089 -2.749 2.660 526 2HG2 VAL 84 HG23 VAL 84 1.021 -4.109 2.311 527 3HG2 VAL 84 HG22 VAL 84 2.445 -4.343 3.325 528 H ILE 85 HN ILE 85 2.245 -5.061 -1.515 529 HA ILE 85 HA ILE 85 4.772 -5.164 -2.790 530 HB ILE 85 HB ILE 85 2.024 -5.936 -3.808 531 1HG1 ILE 85 HG12 ILE 85 4.232 -7.795 -2.959 532 2HG1 ILE 85 HG11 ILE 85 3.209 -7.038 -1.737 533 1HG2 ILE 85 HG22 ILE 85 4.789 -6.370 -4.957 534 2HG2 ILE 85 HG21 ILE 85 3.422 -7.401 -5.379 535 3HG2 ILE 85 HG23 ILE 85 3.377 -5.679 -5.757 536 1HD1 ILE 85 HD12 ILE 85 1.231 -7.862 -3.220 537 2HD1 ILE 85 HD11 ILE 85 2.426 -8.950 -3.927 538 3HD1 ILE 85 HD13 ILE 85 2.067 -9.036 -2.203 539 H GLY 86 HN GLY 86 1.797 -3.448 -3.806 540 1HA GLY 86 HA2 GLY 86 2.794 -2.378 -6.223 541 2HA GLY 86 HA1 GLY 86 1.538 -1.618 -5.246 542 H THR 87 HN THR 87 2.914 -0.981 -2.928 543 HA THR 87 HA THR 87 4.232 1.430 -3.624 544 HB THR 87 HB THR 87 4.711 -0.166 -1.092 545 HG1 THR 87 HG1 THR 87 2.509 0.049 -1.395 546 1HG2 THR 87 HG23 THR 87 6.132 1.870 -1.587 547 2HG2 THR 87 HG22 THR 87 4.650 2.825 -1.553 548 3HG2 THR 87 HG21 THR 87 5.185 1.977 -0.103 549 H ILE 88 HN ILE 88 5.617 -1.738 -2.710 550 HA ILE 88 HA ILE 88 8.350 -1.005 -2.909 551 HB ILE 88 HB ILE 88 6.940 -3.631 -3.446 552 1HG1 ILE 88 HG12 ILE 88 8.772 -2.839 -1.172 553 2HG1 ILE 88 HG11 ILE 88 7.029 -2.578 -1.110 554 1HG2 ILE 88 HG23 ILE 88 9.647 -2.830 -4.090 555 2HG2 ILE 88 HG22 ILE 88 9.657 -4.087 -2.854 556 3HG2 ILE 88 HG21 ILE 88 8.845 -4.371 -4.394 557 1HD1 ILE 88 HD12 ILE 88 6.690 -5.011 -1.557 558 2HD1 ILE 88 HD11 ILE 88 8.437 -5.237 -1.482 559 3HD1 ILE 88 HD13 ILE 88 7.554 -4.710 -0.049 560 H LEU 89 HN LEU 89 6.142 -2.284 -5.406 561 HA LEU 89 HA LEU 89 7.997 -2.326 -7.544 562 1HB LEU 89 HB2 LEU 89 6.155 -3.226 -8.485 563 2HB LEU 89 HB1 LEU 89 5.143 -2.598 -7.191 564 HG LEU 89 HG LEU 89 5.163 -0.370 -8.435 565 1HD1 LEU 89 HD12 LEU 89 6.508 -2.172 -10.445 566 2HD1 LEU 89 HD11 LEU 89 5.575 -0.770 -10.966 567 3HD1 LEU 89 HD13 LEU 89 6.984 -0.555 -9.928 568 1HD2 LEU 89 HD22 LEU 89 3.685 -2.796 -8.908 569 2HD2 LEU 89 HD21 LEU 89 3.118 -1.128 -8.999 570 3HD2 LEU 89 HD23 LEU 89 3.827 -1.898 -10.419 571 H LEU 90 HN LEU 90 5.837 0.299 -6.448 572 HA LEU 90 HA LEU 90 6.541 2.210 -8.426 573 1HB LEU 90 HB2 LEU 90 4.715 2.439 -6.679 574 2HB LEU 90 HB1 LEU 90 5.977 2.842 -5.514 575 HG LEU 90 HG LEU 90 6.672 4.749 -6.888 576 1HD1 LEU 90 HD11 LEU 90 4.691 3.538 -8.785 577 2HD1 LEU 90 HD13 LEU 90 4.914 5.287 -8.796 578 3HD1 LEU 90 HD12 LEU 90 6.282 4.222 -9.117 579 1HD2 LEU 90 HD23 LEU 90 4.233 4.500 -5.493 580 2HD2 LEU 90 HD22 LEU 90 5.093 5.995 -5.867 581 3HD2 LEU 90 HD21 LEU 90 3.848 5.396 -6.963 582 H ILE 91 HN ILE 91 8.053 1.599 -5.237 583 HA ILE 91 HA ILE 91 10.044 3.614 -5.405 584 HB ILE 91 HB ILE 91 10.199 0.868 -4.124 585 1HG1 ILE 91 HG12 ILE 91 9.663 3.545 -2.819 586 2HG1 ILE 91 HG11 ILE 91 8.362 2.507 -3.405 587 1HG2 ILE 91 HG22 ILE 91 12.100 3.112 -4.326 588 2HG2 ILE 91 HG21 ILE 91 11.817 2.552 -2.678 589 3HG2 ILE 91 HG23 ILE 91 12.392 1.425 -3.906 590 1HD1 ILE 91 HD13 ILE 91 9.693 0.667 -2.008 591 2HD1 ILE 91 HD12 ILE 91 10.236 2.088 -1.116 592 3HD1 ILE 91 HD11 ILE 91 8.513 1.727 -1.236 593 H SER 92 HN SER 92 10.178 0.205 -6.506 594 HA SER 92 HA SER 92 12.832 0.306 -7.510 595 1HB SER 92 HB2 SER 92 10.999 -1.212 -9.218 596 2HB SER 92 HB1 SER 92 12.365 -1.781 -8.262 597 HG SER 92 HG SER 92 9.960 -2.294 -7.718 598 H TYR 93 HN TYR 93 9.732 1.039 -9.117 599 HA TYR 93 HA TYR 93 10.796 1.784 -11.639 600 1HB TYR 93 HB2 TYR 93 8.275 1.978 -10.270 601 2HB TYR 93 HB1 TYR 93 8.623 3.520 -11.053 602 HD1 TYR 93 HD2 TYR 93 8.789 -0.167 -11.745 603 HD2 TYR 93 HD1 TYR 93 8.107 3.774 -13.313 604 HE1 TYR 93 HE2 TYR 93 8.195 -1.145 -13.945 605 HE2 TYR 93 HE1 TYR 93 7.512 2.796 -15.513 606 HH TYR 93 HH TYR 93 6.527 0.226 -16.175 607 H GLY 94 HN GLY 94 10.163 3.800 -8.742 608 1HA GLY 94 HA2 GLY 94 11.042 6.267 -9.821 609 2HA GLY 94 HA1 GLY 94 11.108 5.851 -8.108 610 H ILE 95 HN ILE 95 12.890 3.754 -8.075 611 HA ILE 95 HA ILE 95 15.413 5.057 -8.171 612 HB ILE 95 HB ILE 95 14.585 2.159 -8.056 613 1HG1 ILE 95 HG12 ILE 95 16.208 2.677 -5.934 614 2HG1 ILE 95 HG11 ILE 95 15.549 4.286 -6.228 615 1HG2 ILE 95 HG22 ILE 95 17.323 3.285 -8.571 616 2HG2 ILE 95 HG21 ILE 95 17.153 1.842 -7.572 617 3HG2 ILE 95 HG23 ILE 95 16.574 1.835 -9.238 618 1HD1 ILE 95 HD11 ILE 95 13.693 1.929 -6.189 619 2HD1 ILE 95 HD13 ILE 95 14.256 2.609 -4.662 620 3HD1 ILE 95 HD12 ILE 95 13.361 3.616 -5.799 621 H ARG 96 HN ARG 96 13.914 2.814 -10.510 622 HA ARG 96 HA ARG 96 16.036 2.776 -12.395 623 1HB ARG 96 HB2 ARG 96 13.859 1.382 -12.392 624 2HB ARG 96 HB1 ARG 96 13.121 2.766 -13.202 625 1HG ARG 96 HG2 ARG 96 15.695 2.023 -14.377 626 2HG ARG 96 HG1 ARG 96 14.514 0.714 -14.452 627 1HD ARG 96 HD2 ARG 96 14.191 3.537 -15.501 628 2HD ARG 96 HD1 ARG 96 14.227 2.045 -16.441 629 HE ARG 96 HE ARG 96 12.092 1.683 -14.714 630 1HH1 ARG 96 HH21 ARG 96 12.432 2.627 -17.792 631 2HH1 ARG 96 HH22 ARG 96 11.118 3.754 -17.840 632 1HH2 ARG 96 HH11 ARG 96 10.664 3.775 -14.402 633 2HH2 ARG 96 HH12 ARG 96 10.117 4.404 -15.921 634 H ARG 97 HN ARG 97 13.240 5.018 -12.182 635 HA ARG 97 HA ARG 97 13.888 6.563 -14.474 636 1HB ARG 97 HB2 ARG 97 11.793 6.802 -13.082 637 2HB ARG 97 HB1 ARG 97 12.763 7.633 -11.865 638 1HG ARG 97 HG2 ARG 97 13.007 9.523 -13.149 639 2HG ARG 97 HG1 ARG 97 12.990 8.621 -14.665 640 1HD ARG 97 HD2 ARG 97 10.547 8.224 -14.361 641 2HD ARG 97 HD1 ARG 97 10.591 9.225 -12.910 642 HE ARG 97 HE ARG 97 10.155 10.343 -15.359 643 1HH1 ARG 97 HH21 ARG 97 12.841 10.691 -16.188 644 2HH1 ARG 97 HH22 ARG 97 13.393 12.112 -15.366 645 1HH2 ARG 97 HH11 ARG 97 10.860 12.050 -12.998 646 2HH2 ARG 97 HH12 ARG 97 12.272 12.881 -13.560 647 H LEU 98 HN LEU 98 14.920 6.916 -11.084 648 HA LEU 98 HA LEU 98 16.650 9.145 -11.445 649 1HB LEU 98 HB2 LEU 98 16.353 6.952 -9.463 650 2HB LEU 98 HB1 LEU 98 17.947 7.705 -9.533 651 HG LEU 98 HG LEU 98 15.453 9.392 -9.423 652 1HD1 LEU 98 HD13 LEU 98 16.547 7.663 -7.331 653 2HD1 LEU 98 HD12 LEU 98 16.502 9.359 -6.848 654 3HD1 LEU 98 HD11 LEU 98 15.023 8.549 -7.368 655 1HD2 LEU 98 HD21 LEU 98 17.903 10.179 -9.945 656 2HD2 LEU 98 HD23 LEU 98 16.927 11.106 -8.806 657 3HD2 LEU 98 HD22 LEU 98 18.144 9.978 -8.209 658 H ILE 99 HN ILE 99 17.214 5.664 -11.675 659 HA ILE 99 HA ILE 99 18.603 4.544 -13.241 660 HB ILE 99 HB ILE 99 20.149 7.134 -13.498 661 1HG1 ILE 99 HG12 ILE 99 18.544 6.270 -15.777 662 2HG1 ILE 99 HG11 ILE 99 17.542 6.589 -14.360 663 1HG2 ILE 99 HG23 ILE 99 20.438 4.401 -14.514 664 2HG2 ILE 99 HG22 ILE 99 20.427 5.615 -15.793 665 3HG2 ILE 99 HG21 ILE 99 21.611 5.717 -14.489 666 1HD1 ILE 99 HD11 ILE 99 19.588 8.631 -14.670 667 2HD1 ILE 99 HD13 ILE 99 18.601 8.500 -16.126 668 3HD1 ILE 99 HD12 ILE 99 17.837 8.817 -14.568 669 H LYS 100 HN LYS 100 19.426 3.178 -11.766 670 HA LYS 100 HA LYS 100 21.311 4.100 -9.710 671 1HB LYS 100 HB2 LYS 100 19.457 2.159 -9.662 672 2HB LYS 100 HB1 LYS 100 20.832 1.196 -10.209 673 1HG LYS 100 HG2 LYS 100 22.161 2.147 -8.286 674 2HG LYS 100 HG1 LYS 100 20.669 2.879 -7.695 675 1HD LYS 100 HD2 LYS 100 20.059 0.934 -6.746 676 2HD LYS 100 HD1 LYS 100 20.164 0.120 -8.307 677 1HE LYS 100 HE2 LYS 100 22.674 -0.020 -7.940 678 2HE LYS 100 HE1 LYS 100 22.381 0.521 -6.287 679 1HZ LYS 100 HZ1 LYS 100 21.169 -1.879 -7.546 680 2HZ LYS 100 HZ3 LYS 100 22.466 -1.897 -6.454 681 3HZ LYS 100 HZ2 LYS 100 20.935 -1.366 -5.943 682 H LYS 101 HN LYS 101 23.477 4.146 -10.018 683 HA LYS 101 HA LYS 101 25.599 3.668 -10.907 684 1HB LYS 101 HB2 LYS 101 24.207 1.147 -11.871 685 2HB LYS 101 HB1 LYS 101 25.946 1.420 -11.906 686 1HG LYS 101 HG2 LYS 101 24.277 1.501 -9.375 687 2HG LYS 101 HG1 LYS 101 25.178 0.088 -9.919 688 1HD LYS 101 HD2 LYS 101 27.232 1.047 -9.477 689 2HD LYS 101 HD1 LYS 101 26.641 2.688 -9.734 690 1HE LYS 101 HE2 LYS 101 26.981 2.522 -7.387 691 2HE LYS 101 HE1 LYS 101 25.240 2.346 -7.609 692 1HZ LYS 101 HZ3 LYS 101 26.333 -0.186 -7.858 693 2HZ LYS 101 HZ2 LYS 101 27.082 0.513 -6.503 694 3HZ LYS 101 HZ1 LYS 101 25.388 0.407 -6.580 No H/Q in entry = 694 Start of MODEL 2 1 1H VAL 62 HT2 VAL 62 -25.196 -9.251 26.173 2 2H VAL 62 HT1 VAL 62 -25.014 -7.580 25.925 3 3H VAL 62 HT3 VAL 62 -26.103 -8.148 27.094 4 HA VAL 62 HA VAL 62 -27.575 -9.001 25.481 5 HB VAL 62 HB VAL 62 -27.793 -6.603 25.798 6 1HG1 VAL 62 HG11 VAL 62 -25.261 -6.609 24.325 7 2HG1 VAL 62 HG13 VAL 62 -26.401 -5.413 23.710 8 3HG1 VAL 62 HG12 VAL 62 -25.924 -5.385 25.407 9 1HG2 VAL 62 HG23 VAL 62 -27.830 -7.409 22.872 10 2HG2 VAL 62 HG22 VAL 62 -29.162 -7.555 24.018 11 3HG2 VAL 62 HG21 VAL 62 -28.602 -5.959 23.515 12 H GLN 63 HN GLN 63 -24.383 -8.274 24.228 13 HA GLN 63 HA GLN 63 -24.477 -10.340 22.273 14 1HB GLN 63 HB2 GLN 63 -26.087 -8.942 21.097 15 2HB GLN 63 HB1 GLN 63 -25.013 -7.548 21.215 16 1HG GLN 63 HG2 GLN 63 -24.742 -8.449 19.003 17 2HG GLN 63 HG1 GLN 63 -23.297 -8.889 19.914 18 1HE2 GLN 63 HE22 GLN 63 -23.823 -12.260 19.047 19 2HE2 GLN 63 HE21 GLN 63 -22.746 -10.952 19.146 20 H LEU 64 HN LEU 64 -22.418 -10.656 21.400 21 HA LEU 64 HA LEU 64 -20.267 -9.070 22.588 22 1HB LEU 64 HB2 LEU 64 -20.526 -11.688 21.614 23 2HB LEU 64 HB1 LEU 64 -19.422 -10.896 20.489 24 HG LEU 64 HG LEU 64 -18.959 -10.356 23.375 25 1HD1 LEU 64 HD13 LEU 64 -19.087 -13.064 22.266 26 2HD1 LEU 64 HD12 LEU 64 -17.505 -12.682 22.945 27 3HD1 LEU 64 HD11 LEU 64 -18.950 -12.546 23.947 28 1HD2 LEU 64 HD23 LEU 64 -17.496 -10.483 20.815 29 2HD2 LEU 64 HD22 LEU 64 -17.208 -9.465 22.225 30 3HD2 LEU 64 HD21 LEU 64 -16.599 -11.119 22.193 31 H ALA 65 HN ALA 65 -21.256 -9.833 19.234 32 HA ALA 65 HA ALA 65 -21.008 -8.580 17.271 33 1HB ALA 65 HB3 ALA 65 -21.772 -6.763 19.161 34 2HB ALA 65 HB2 ALA 65 -20.217 -6.094 18.665 35 3HB ALA 65 HB1 ALA 65 -21.485 -6.358 17.469 36 H HIS 66 HN HIS 66 -18.903 -10.063 17.603 37 HA HIS 66 HA HIS 66 -16.389 -9.141 18.263 38 1HB HIS 66 HB2 HIS 66 -17.436 -11.193 16.582 39 2HB HIS 66 HB1 HIS 66 -16.140 -10.391 15.696 40 HD1 HIS 66 HD1 HIS 66 -14.212 -9.685 17.943 41 HD2 HIS 66 HD2 HIS 66 -16.136 -13.375 17.702 42 HE1 HIS 66 HE1 HIS 66 -12.810 -11.312 19.283 43 H HIS 67 HN HIS 67 -17.725 -8.798 14.949 44 HA HIS 67 HA HIS 67 -16.612 -6.071 14.806 45 1HB HIS 67 HB2 HIS 67 -15.002 -8.136 13.970 46 2HB HIS 67 HB1 HIS 67 -15.826 -7.694 12.475 47 HD1 HIS 67 HD1 HIS 67 -13.874 -6.451 11.382 48 HD2 HIS 67 HD2 HIS 67 -14.811 -4.986 15.171 49 HE1 HIS 67 HE1 HIS 67 -12.566 -4.300 11.662 50 H PHE 68 HN PHE 68 -19.061 -5.900 14.700 51 HA PHE 68 HA PHE 68 -20.587 -6.914 12.529 52 1HB PHE 68 HB2 PHE 68 -21.055 -5.235 14.709 53 2HB PHE 68 HB1 PHE 68 -21.369 -4.212 13.307 54 HD1 PHE 68 HD2 PHE 68 -22.035 -7.716 14.484 55 HD2 PHE 68 HD1 PHE 68 -23.493 -4.280 12.360 56 HE1 PHE 68 HE2 PHE 68 -24.210 -8.854 14.138 57 HE2 PHE 68 HE1 PHE 68 -25.670 -5.418 12.014 58 HZ PHE 68 HZ PHE 68 -26.028 -7.704 12.903 59 H SER 69 HN SER 69 -19.127 -6.701 10.679 60 HA SER 69 HA SER 69 -18.738 -3.903 9.733 61 1HB SER 69 HB2 SER 69 -17.046 -4.795 8.249 62 2HB SER 69 HB1 SER 69 -16.752 -5.440 9.861 63 HG SER 69 HG SER 69 -17.673 -6.697 7.548 64 H GLU 70 HN GLU 70 -18.410 -4.814 6.965 65 HA GLU 70 HA GLU 70 -20.555 -6.199 5.854 66 1HB GLU 70 HB2 GLU 70 -21.505 -3.876 7.161 67 2HB GLU 70 HB1 GLU 70 -21.580 -3.535 5.432 68 1HG GLU 70 HG2 GLU 70 -22.697 -6.029 6.748 69 2HG GLU 70 HG1 GLU 70 -23.657 -4.628 6.273 70 HA PRO 71 HA PRO 71 -19.024 -2.822 2.697 71 1HB PRO 71 HB2 PRO 71 -16.840 -1.471 4.052 72 2HB PRO 71 HB1 PRO 71 -18.293 -0.764 3.331 73 1HG PRO 71 HG2 PRO 71 -17.720 -1.030 6.115 74 2HG PRO 71 HG1 PRO 71 -19.234 -0.478 5.388 75 1HD PRO 71 HD2 PRO 71 -18.698 -2.992 6.721 76 2HD PRO 71 HD1 PRO 71 -20.242 -2.394 6.082 77 H GLU 72 HN GLU 72 -18.277 -5.024 2.127 78 HA GLU 72 HA GLU 72 -15.724 -6.038 2.969 79 1HB GLU 72 HB2 GLU 72 -17.443 -6.653 0.552 80 2HB GLU 72 HB1 GLU 72 -15.978 -7.547 0.961 81 1HG GLU 72 HG2 GLU 72 -17.044 -8.724 2.564 82 2HG GLU 72 HG1 GLU 72 -17.734 -7.261 3.267 83 H ILE 73 HN ILE 73 -16.535 -5.056 -0.380 84 HA ILE 73 HA ILE 73 -13.895 -4.689 -1.232 85 HB ILE 73 HB ILE 73 -15.484 -4.664 -2.939 86 1HG1 ILE 73 HG12 ILE 73 -13.773 -2.683 -2.942 87 2HG1 ILE 73 HG11 ILE 73 -15.082 -2.690 -4.120 88 1HG2 ILE 73 HG23 ILE 73 -17.063 -3.200 -0.953 89 2HG2 ILE 73 HG22 ILE 73 -17.274 -2.583 -2.591 90 3HG2 ILE 73 HG21 ILE 73 -17.597 -4.281 -2.240 91 1HD1 ILE 73 HD13 ILE 73 -15.873 -1.432 -1.605 92 2HD1 ILE 73 HD12 ILE 73 -14.495 -0.624 -2.347 93 3HD1 ILE 73 HD11 ILE 73 -15.997 -0.814 -3.251 94 H THR 74 HN THR 74 -16.031 -2.406 0.460 95 HA THR 74 HA THR 74 -14.347 -0.113 0.234 96 HB THR 74 HB THR 74 -16.342 -0.950 2.350 97 HG1 THR 74 HG1 THR 74 -16.631 1.258 0.695 98 1HG2 THR 74 HG22 THR 74 -14.830 1.658 2.055 99 2HG2 THR 74 HG21 THR 74 -16.217 1.420 3.118 100 3HG2 THR 74 HG23 THR 74 -14.722 0.530 3.407 101 H LEU 75 HN LEU 75 -14.527 -2.642 2.743 102 HA LEU 75 HA LEU 75 -12.343 -1.581 4.303 103 1HB LEU 75 HB2 LEU 75 -14.196 -3.506 4.787 104 2HB LEU 75 HB1 LEU 75 -12.815 -4.515 4.356 105 HG LEU 75 HG LEU 75 -12.994 -2.454 6.563 106 1HD1 LEU 75 HD11 LEU 75 -13.400 -5.222 6.481 107 2HD1 LEU 75 HD13 LEU 75 -11.772 -5.036 7.135 108 3HD1 LEU 75 HD12 LEU 75 -13.137 -4.247 7.926 109 1HD2 LEU 75 HD23 LEU 75 -10.609 -3.626 5.159 110 2HD2 LEU 75 HD22 LEU 75 -10.856 -1.983 5.751 111 3HD2 LEU 75 HD21 LEU 75 -10.513 -3.287 6.887 112 H ILE 76 HN ILE 76 -12.518 -4.176 1.840 113 HA ILE 76 HA ILE 76 -9.785 -4.915 1.938 114 HB ILE 76 HB ILE 76 -11.517 -4.767 -0.550 115 1HG1 ILE 76 HG12 ILE 76 -11.170 -7.148 1.282 116 2HG1 ILE 76 HG11 ILE 76 -12.491 -5.999 1.492 117 1HG2 ILE 76 HG21 ILE 76 -8.901 -5.263 -0.505 118 2HG2 ILE 76 HG23 ILE 76 -9.454 -6.866 -0.018 119 3HG2 ILE 76 HG22 ILE 76 -9.983 -6.178 -1.554 120 1HD1 ILE 76 HD12 ILE 76 -12.169 -6.874 -1.287 121 2HD1 ILE 76 HD11 ILE 76 -12.541 -8.200 -0.184 122 3HD1 ILE 76 HD13 ILE 76 -13.623 -6.812 -0.292 123 H ILE 77 HN ILE 77 -11.399 -2.414 -0.052 124 HA ILE 77 HA ILE 77 -9.066 -1.462 -1.365 125 HB ILE 77 HB ILE 77 -11.588 -0.020 -0.496 126 1HG1 ILE 77 HG12 ILE 77 -10.622 -1.123 -3.156 127 2HG1 ILE 77 HG11 ILE 77 -11.922 -1.786 -2.165 128 1HG2 ILE 77 HG22 ILE 77 -9.639 1.533 -0.778 129 2HG2 ILE 77 HG21 ILE 77 -9.450 0.933 -2.425 130 3HG2 ILE 77 HG23 ILE 77 -10.916 1.799 -1.965 131 1HD1 ILE 77 HD12 ILE 77 -13.021 0.533 -2.360 132 2HD1 ILE 77 HD11 ILE 77 -11.866 0.838 -3.657 133 3HD1 ILE 77 HD13 ILE 77 -13.031 -0.478 -3.805 134 H PHE 78 HN PHE 78 -10.570 -0.459 1.701 135 HA PHE 78 HA PHE 78 -8.714 1.559 2.411 136 1HB PHE 78 HB2 PHE 78 -10.527 -0.252 3.976 137 2HB PHE 78 HB1 PHE 78 -9.346 0.733 4.837 138 HD1 PHE 78 HD2 PHE 78 -9.189 3.255 3.751 139 HD2 PHE 78 HD1 PHE 78 -12.641 0.699 3.788 140 HE1 PHE 78 HE2 PHE 78 -10.660 5.238 3.519 141 HE2 PHE 78 HE1 PHE 78 -14.111 2.682 3.555 142 HZ PHE 78 HZ PHE 78 -13.121 4.952 3.421 143 H GLY 79 HN GLY 79 -8.665 -1.937 3.156 144 1HA GLY 79 HA2 GLY 79 -6.279 -1.946 4.679 145 2HA GLY 79 HA1 GLY 79 -6.851 -3.319 3.730 146 H VAL 80 HN VAL 80 -6.683 -2.338 1.133 147 HA VAL 80 HA VAL 80 -3.930 -2.661 0.525 148 HB VAL 80 HB VAL 80 -6.044 -1.238 -1.119 149 1HG1 VAL 80 HG12 VAL 80 -3.340 -2.428 -1.769 150 2HG1 VAL 80 HG11 VAL 80 -4.558 -2.120 -3.005 151 3HG1 VAL 80 HG13 VAL 80 -3.899 -0.782 -2.065 152 1HG2 VAL 80 HG22 VAL 80 -6.041 -3.873 -0.215 153 2HG2 VAL 80 HG21 VAL 80 -6.920 -3.271 -1.621 154 3HG2 VAL 80 HG23 VAL 80 -5.324 -3.993 -1.822 155 H MET 81 HN MET 81 -5.887 0.320 0.734 156 HA MET 81 HA MET 81 -3.789 2.163 0.185 157 1HB MET 81 HB2 MET 81 -6.295 2.377 1.871 158 2HB MET 81 HB1 MET 81 -5.201 3.741 1.633 159 1HG MET 81 HG2 MET 81 -5.520 2.850 -0.938 160 2HG MET 81 HG1 MET 81 -7.108 2.512 -0.252 161 1HE MET 81 HE2 MET 81 -8.670 3.849 0.498 162 2HE MET 81 HE1 MET 81 -7.944 4.855 1.749 163 3HE MET 81 HE3 MET 81 -8.814 5.602 0.402 164 H ALA 82 HN ALA 82 -4.946 0.809 3.258 165 HA ALA 82 HA ALA 82 -3.137 2.133 4.977 166 1HB ALA 82 HB1 ALA 82 -4.956 -0.141 5.165 167 2HB ALA 82 HB3 ALA 82 -3.498 -0.384 6.132 168 3HB ALA 82 HB2 ALA 82 -4.504 1.038 6.392 169 H GLY 83 HN GLY 83 -2.739 -1.012 3.272 170 1HA GLY 83 HA2 GLY 83 -0.211 -1.660 4.363 171 2HA GLY 83 HA1 GLY 83 -0.759 -2.160 2.761 172 H VAL 84 HN VAL 84 -0.987 0.266 1.431 173 HA VAL 84 HA VAL 84 1.701 0.829 0.701 174 HB VAL 84 HB VAL 84 -0.745 2.605 0.430 175 1HG1 VAL 84 HG11 VAL 84 2.048 3.016 -0.217 176 2HG1 VAL 84 HG13 VAL 84 1.069 3.012 -1.684 177 3HG1 VAL 84 HG12 VAL 84 0.696 4.136 -0.378 178 1HG2 VAL 84 HG23 VAL 84 -0.810 0.266 -0.593 179 2HG2 VAL 84 HG22 VAL 84 -1.033 1.598 -1.728 180 3HG2 VAL 84 HG21 VAL 84 0.526 0.778 -1.624 181 H ILE 85 HN ILE 85 -0.499 2.648 2.864 182 HA ILE 85 HA ILE 85 1.309 4.715 3.569 183 HB ILE 85 HB ILE 85 -0.932 3.394 5.116 184 1HG1 ILE 85 HG12 ILE 85 -0.695 6.125 3.813 185 2HG1 ILE 85 HG11 ILE 85 -1.467 4.728 3.058 186 1HG2 ILE 85 HG23 ILE 85 0.759 5.806 5.840 187 2HG2 ILE 85 HG22 ILE 85 -0.771 5.403 6.619 188 3HG2 ILE 85 HG21 ILE 85 0.604 4.308 6.759 189 1HD1 ILE 85 HD11 ILE 85 -2.428 5.201 5.780 190 2HD1 ILE 85 HD13 ILE 85 -2.725 6.571 4.711 191 3HD1 ILE 85 HD12 ILE 85 -3.346 4.976 4.290 192 H GLY 86 HN GLY 86 0.774 1.538 5.114 193 1HA GLY 86 HA2 GLY 86 2.647 1.806 7.213 194 2HA GLY 86 HA1 GLY 86 2.187 0.267 6.484 195 H THR 87 HN THR 87 3.126 0.561 3.896 196 HA THR 87 HA THR 87 5.872 -0.083 4.143 197 HB THR 87 HB THR 87 4.411 1.030 1.726 198 HG1 THR 87 HG1 THR 87 3.445 -0.837 2.358 199 1HG2 THR 87 HG21 THR 87 7.017 0.988 1.814 200 2HG2 THR 87 HG23 THR 87 6.828 -0.760 1.675 201 3HG2 THR 87 HG22 THR 87 6.207 0.296 0.408 202 H ILE 88 HN ILE 88 4.342 3.008 3.174 203 HA ILE 88 HA ILE 88 6.744 4.465 2.768 204 HB ILE 88 HB ILE 88 4.061 5.409 3.827 205 1HG1 ILE 88 HG12 ILE 88 5.274 5.610 1.053 206 2HG1 ILE 88 HG11 ILE 88 4.133 4.353 1.535 207 1HG2 ILE 88 HG22 ILE 88 6.426 6.974 2.746 208 2HG2 ILE 88 HG21 ILE 88 4.838 7.655 3.097 209 3HG2 ILE 88 HG23 ILE 88 5.828 7.007 4.405 210 1HD1 ILE 88 HD12 ILE 88 3.566 7.322 1.750 211 2HD1 ILE 88 HD11 ILE 88 3.049 6.316 0.396 212 3HD1 ILE 88 HD13 ILE 88 2.425 6.003 2.016 213 H LEU 89 HN LEU 89 4.804 4.035 5.739 214 HA LEU 89 HA LEU 89 6.462 5.575 7.451 215 1HB LEU 89 HB2 LEU 89 4.883 4.969 8.943 216 2HB LEU 89 HB1 LEU 89 4.190 3.903 7.729 217 HG LEU 89 HG LEU 89 5.826 2.123 8.489 218 1HD1 LEU 89 HD12 LEU 89 6.934 4.306 9.885 219 2HD1 LEU 89 HD11 LEU 89 6.215 3.271 11.119 220 3HD1 LEU 89 HD13 LEU 89 7.416 2.614 10.008 221 1HD2 LEU 89 HD21 LEU 89 3.392 2.435 9.282 222 2HD2 LEU 89 HD23 LEU 89 4.439 1.437 10.291 223 3HD2 LEU 89 HD22 LEU 89 4.088 3.100 10.760 224 H LEU 90 HN LEU 90 6.591 2.115 6.618 225 HA LEU 90 HA LEU 90 8.835 1.412 8.213 226 1HB LEU 90 HB2 LEU 90 7.405 -0.212 6.938 227 2HB LEU 90 HB1 LEU 90 8.174 0.341 5.449 228 HG LEU 90 HG LEU 90 10.399 -0.270 6.455 229 1HD1 LEU 90 HD12 LEU 90 8.569 -1.361 8.606 230 2HD1 LEU 90 HD11 LEU 90 10.229 -1.920 8.393 231 3HD1 LEU 90 HD13 LEU 90 9.911 -0.233 8.799 232 1HD2 LEU 90 HD23 LEU 90 8.992 -1.778 4.939 233 2HD2 LEU 90 HD22 LEU 90 10.191 -2.598 5.938 234 3HD2 LEU 90 HD21 LEU 90 8.491 -2.621 6.404 235 H ILE 91 HN ILE 91 8.711 2.641 4.860 236 HA ILE 91 HA ILE 91 11.500 2.625 4.360 237 HB ILE 91 HB ILE 91 9.393 4.583 3.390 238 1HG1 ILE 91 HG12 ILE 91 10.580 2.199 1.950 239 2HG1 ILE 91 HG11 ILE 91 9.111 2.078 2.921 240 1HG2 ILE 91 HG23 ILE 91 12.268 4.486 3.029 241 2HG2 ILE 91 HG22 ILE 91 11.443 4.260 1.487 242 3HG2 ILE 91 HG21 ILE 91 11.117 5.695 2.459 243 1HD1 ILE 91 HD12 ILE 91 8.170 3.988 1.538 244 2HD1 ILE 91 HD11 ILE 91 9.561 3.798 0.472 245 3HD1 ILE 91 HD13 ILE 91 8.408 2.478 0.659 246 H SER 92 HN SER 92 9.475 5.215 5.794 247 HA SER 92 HA SER 92 11.576 7.090 6.162 248 1HB SER 92 HB2 SER 92 8.910 6.607 7.366 249 2HB SER 92 HB1 SER 92 10.038 7.506 8.379 250 HG SER 92 HG SER 92 8.618 8.578 6.614 251 H TYR 93 HN TYR 93 10.393 4.499 8.323 252 HA TYR 93 HA TYR 93 12.267 4.901 10.421 253 1HB TYR 93 HB2 TYR 93 10.307 2.961 9.737 254 2HB TYR 93 HB1 TYR 93 11.812 2.086 10.024 255 HD1 TYR 93 HD2 TYR 93 13.149 3.776 12.027 256 HD2 TYR 93 HD1 TYR 93 9.019 2.648 11.684 257 HE1 TYR 93 HE2 TYR 93 12.863 4.084 14.471 258 HE2 TYR 93 HE1 TYR 93 8.731 2.957 14.128 259 HH TYR 93 HH TYR 93 10.826 4.626 16.028 260 H GLY 94 HN GLY 94 12.485 2.836 7.508 261 1HA GLY 94 HA2 GLY 94 15.062 1.769 7.991 262 2HA GLY 94 HA1 GLY 94 14.363 2.000 6.386 263 H ILE 95 HN ILE 95 14.118 4.747 6.244 264 HA ILE 95 HA ILE 95 16.745 5.577 5.544 265 HB ILE 95 HB ILE 95 14.181 7.075 6.079 266 1HG1 ILE 95 HG12 ILE 95 15.493 7.578 3.564 267 2HG1 ILE 95 HG11 ILE 95 15.420 5.838 3.841 268 1HG2 ILE 95 HG21 ILE 95 16.886 8.288 5.429 269 2HG2 ILE 95 HG23 ILE 95 15.349 9.148 5.321 270 3HG2 ILE 95 HG22 ILE 95 15.930 8.576 6.883 271 1HD1 ILE 95 HD12 ILE 95 12.918 6.591 4.633 272 2HD1 ILE 95 HD11 ILE 95 13.230 7.765 3.356 273 3HD1 ILE 95 HD13 ILE 95 13.309 6.039 3.005 274 H ARG 96 HN ARG 96 14.838 6.286 8.485 275 HA ARG 96 HA ARG 96 16.789 7.869 9.806 276 1HB ARG 96 HB2 ARG 96 14.669 5.991 10.884 277 2HB ARG 96 HB1 ARG 96 15.671 7.002 11.927 278 1HG ARG 96 HG2 ARG 96 14.631 8.941 11.281 279 2HG ARG 96 HG1 ARG 96 14.358 8.369 9.635 280 1HD ARG 96 HD2 ARG 96 12.683 6.707 10.742 281 2HD ARG 96 HD1 ARG 96 12.743 7.812 12.115 282 HE ARG 96 HE ARG 96 11.076 8.287 10.004 283 1HH1 ARG 96 HH11 ARG 96 12.793 10.164 12.088 284 2HH1 ARG 96 HH12 ARG 96 12.899 11.562 11.072 285 1HH2 ARG 96 HH21 ARG 96 11.716 9.930 8.251 286 2HH2 ARG 96 HH22 ARG 96 12.290 11.430 8.901 287 H ARG 97 HN ARG 97 16.259 4.347 9.875 288 HA ARG 97 HA ARG 97 18.362 3.690 11.650 289 1HB ARG 97 HB2 ARG 97 16.498 2.222 10.317 290 2HB ARG 97 HB1 ARG 97 17.942 1.821 9.387 291 1HG ARG 97 HG2 ARG 97 19.103 1.301 11.561 292 2HG ARG 97 HG1 ARG 97 17.551 1.510 12.373 293 1HD ARG 97 HD2 ARG 97 17.162 -0.204 10.114 294 2HD ARG 97 HD1 ARG 97 18.533 -0.814 11.039 295 HE ARG 97 HE ARG 97 15.961 -1.328 11.816 296 1HH1 ARG 97 HH21 ARG 97 18.858 -0.481 13.276 297 2HH1 ARG 97 HH22 ARG 97 18.178 -0.134 14.830 298 1HH2 ARG 97 HH11 ARG 97 14.894 -0.391 13.745 299 2HH2 ARG 97 HH12 ARG 97 15.933 -0.082 15.097 300 H LEU 98 HN LEU 98 18.423 3.961 8.089 301 HA LEU 98 HA LEU 98 21.143 3.261 7.720 302 1HB LEU 98 HB2 LEU 98 19.301 5.115 6.200 303 2HB LEU 98 HB1 LEU 98 20.962 4.823 5.680 304 HG LEU 98 HG LEU 98 18.952 2.613 6.189 305 1HD1 LEU 98 HD13 LEU 98 19.642 4.178 3.711 306 2HD1 LEU 98 HD12 LEU 98 19.121 2.498 3.585 307 3HD1 LEU 98 HD11 LEU 98 18.054 3.700 4.311 308 1HD2 LEU 98 HD22 LEU 98 21.743 2.604 5.943 309 2HD2 LEU 98 HD21 LEU 98 20.677 1.208 5.794 310 3HD2 LEU 98 HD23 LEU 98 21.158 2.107 4.355 311 H ILE 99 HN ILE 99 19.681 6.455 8.316 312 HA ILE 99 HA ILE 99 22.247 7.806 8.409 313 HB ILE 99 HB ILE 99 20.919 9.724 9.263 314 1HG1 ILE 99 HG12 ILE 99 18.665 7.688 9.227 315 2HG1 ILE 99 HG11 ILE 99 19.325 8.487 10.654 316 1HG2 ILE 99 HG22 ILE 99 19.955 8.158 6.872 317 2HG2 ILE 99 HG21 ILE 99 19.241 9.718 7.281 318 3HG2 ILE 99 HG23 ILE 99 20.961 9.605 6.907 319 1HD1 ILE 99 HD12 ILE 99 18.694 10.698 9.549 320 2HD1 ILE 99 HD11 ILE 99 17.786 9.746 8.374 321 3HD1 ILE 99 HD13 ILE 99 17.343 9.698 10.081 322 H LYS 100 HN LYS 100 19.911 6.740 10.905 323 HA LYS 100 HA LYS 100 22.154 6.937 12.874 324 1HB LYS 100 HB2 LYS 100 19.551 8.243 12.896 325 2HB LYS 100 HB1 LYS 100 19.789 7.248 14.333 326 1HG LYS 100 HG2 LYS 100 20.854 9.138 15.080 327 2HG LYS 100 HG1 LYS 100 22.213 8.417 14.216 328 1HD LYS 100 HD2 LYS 100 20.690 9.827 12.287 329 2HD LYS 100 HD1 LYS 100 20.863 10.900 13.677 330 1HE LYS 100 HE2 LYS 100 23.200 9.395 12.486 331 2HE LYS 100 HE1 LYS 100 22.742 11.013 11.955 332 1HZ LYS 100 HZ2 LYS 100 22.790 11.010 14.744 333 2HZ LYS 100 HZ1 LYS 100 24.230 10.276 14.216 334 3HZ LYS 100 HZ3 LYS 100 23.828 11.835 13.681 335 H LYS 101 HN LYS 101 21.728 5.522 14.835 336 HA LYS 101 HA LYS 101 21.084 3.470 15.805 337 1HB LYS 101 HB2 LYS 101 19.216 3.037 13.470 338 2HB LYS 101 HB1 LYS 101 19.088 2.396 15.106 339 1HG LYS 101 HG2 LYS 101 18.671 5.255 14.207 340 2HG LYS 101 HG1 LYS 101 17.497 4.180 14.966 341 1HD LYS 101 HD2 LYS 101 19.460 4.134 16.839 342 2HD LYS 101 HD1 LYS 101 19.680 5.762 16.199 343 1HE LYS 101 HE2 LYS 101 16.867 5.010 16.664 344 2HE LYS 101 HE1 LYS 101 17.849 5.101 18.126 345 1HZ LYS 101 HZ2 LYS 101 17.916 7.240 16.089 346 2HZ LYS 101 HZ1 LYS 101 16.739 7.226 17.314 347 3HZ LYS 101 HZ3 LYS 101 18.382 7.314 17.721 348 1H VAL 62 HT2 VAL 62 -24.685 -29.506 20.465 349 2H VAL 62 HT1 VAL 62 -25.627 -29.631 19.056 350 3H VAL 62 HT3 VAL 62 -24.389 -30.752 19.349 351 HA VAL 62 HA VAL 62 -22.761 -29.389 18.647 352 HB VAL 62 HB VAL 62 -25.103 -27.911 17.421 353 1HG1 VAL 62 HG12 VAL 62 -22.222 -28.402 16.658 354 2HG1 VAL 62 HG11 VAL 62 -23.428 -27.934 15.459 355 3HG1 VAL 62 HG13 VAL 62 -23.065 -26.862 16.811 356 1HG2 VAL 62 HG23 VAL 62 -24.021 -30.673 16.966 357 2HG2 VAL 62 HG22 VAL 62 -25.692 -30.108 16.927 358 3HG2 VAL 62 HG21 VAL 62 -24.609 -29.753 15.581 359 H GLN 63 HN GLN 63 -21.726 -27.272 18.724 360 HA GLN 63 HA GLN 63 -23.084 -25.321 20.535 361 1HB GLN 63 HB2 GLN 63 -20.841 -24.917 21.581 362 2HB GLN 63 HB1 GLN 63 -21.492 -26.523 21.903 363 1HG GLN 63 HG2 GLN 63 -19.541 -27.340 21.110 364 2HG GLN 63 HG1 GLN 63 -20.095 -26.837 19.512 365 1HE2 GLN 63 HE22 GLN 63 -17.770 -24.196 19.260 366 2HE2 GLN 63 HE21 GLN 63 -19.015 -25.079 18.516 367 H LEU 64 HN LEU 64 -22.914 -25.225 17.690 368 HA LEU 64 HA LEU 64 -22.458 -23.614 16.041 369 1HB LEU 64 HB2 LEU 64 -22.663 -22.144 18.273 370 2HB LEU 64 HB1 LEU 64 -20.947 -21.892 17.951 371 HG LEU 64 HG LEU 64 -22.667 -21.661 15.569 372 1HD1 LEU 64 HD11 LEU 64 -23.835 -20.599 17.755 373 2HD1 LEU 64 HD13 LEU 64 -22.752 -19.271 17.341 374 3HD1 LEU 64 HD12 LEU 64 -23.936 -19.842 16.166 375 1HD2 LEU 64 HD22 LEU 64 -20.403 -20.136 16.865 376 2HD2 LEU 64 HD21 LEU 64 -20.389 -21.035 15.347 377 3HD2 LEU 64 HD23 LEU 64 -21.252 -19.502 15.456 378 H ALA 65 HN ALA 65 -20.595 -22.808 14.781 379 HA ALA 65 HA ALA 65 -17.887 -23.389 15.657 380 1HB ALA 65 HB2 ALA 65 -19.352 -25.549 14.566 381 2HB ALA 65 HB1 ALA 65 -18.246 -25.017 13.301 382 3HB ALA 65 HB3 ALA 65 -17.618 -25.486 14.880 383 H HIS 66 HN HIS 66 -18.288 -21.032 14.897 384 HA HIS 66 HA HIS 66 -17.898 -19.357 13.300 385 1HB HIS 66 HB2 HIS 66 -16.561 -21.393 11.545 386 2HB HIS 66 HB1 HIS 66 -16.082 -19.730 11.887 387 HD1 HIS 66 HD1 HIS 66 -15.907 -23.210 13.275 388 HD2 HIS 66 HD2 HIS 66 -14.599 -19.387 14.297 389 HE1 HIS 66 HE1 HIS 66 -14.260 -23.501 15.177 390 H HIS 67 HN HIS 67 -20.389 -19.977 13.021 391 HA HIS 67 HA HIS 67 -21.141 -21.291 10.558 392 1HB HIS 67 HB2 HIS 67 -22.471 -20.343 12.826 393 2HB HIS 67 HB1 HIS 67 -23.070 -19.330 11.513 394 HD1 HIS 67 HD1 HIS 67 -25.330 -20.408 11.120 395 HD2 HIS 67 HD2 HIS 67 -22.219 -23.183 11.098 396 HE1 HIS 67 HE1 HIS 67 -26.331 -22.601 10.343 397 H PHE 68 HN PHE 68 -19.886 -18.187 11.270 398 HA PHE 68 HA PHE 68 -21.149 -16.726 9.116 399 1HB PHE 68 HB2 PHE 68 -18.494 -16.168 10.471 400 2HB PHE 68 HB1 PHE 68 -19.469 -15.018 9.556 401 HD1 PHE 68 HD2 PHE 68 -22.201 -15.752 10.490 402 HD2 PHE 68 HD1 PHE 68 -18.530 -15.282 12.672 403 HE1 PHE 68 HE2 PHE 68 -23.489 -15.209 12.538 404 HE2 PHE 68 HE1 PHE 68 -19.818 -14.739 14.719 405 HZ PHE 68 HZ PHE 68 -22.298 -14.702 14.654 406 H SER 69 HN SER 69 -19.788 -15.828 7.263 407 HA SER 69 HA SER 69 -17.604 -17.599 6.363 408 1HB SER 69 HB2 SER 69 -19.557 -17.217 4.222 409 2HB SER 69 HB1 SER 69 -18.742 -18.690 4.742 410 HG SER 69 HG SER 69 -21.029 -18.729 5.079 411 H GLU 70 HN GLU 70 -17.884 -16.613 3.598 412 HA GLU 70 HA GLU 70 -17.380 -14.703 2.311 413 1HB GLU 70 HB2 GLU 70 -18.911 -13.696 4.488 414 2HB GLU 70 HB1 GLU 70 -17.527 -12.622 4.281 415 1HG GLU 70 HG2 GLU 70 -18.717 -11.669 2.608 416 2HG GLU 70 HG1 GLU 70 -18.324 -13.114 1.674 417 HA PRO 71 HA PRO 71 -13.157 -14.985 3.979 418 1HB PRO 71 HB2 PRO 71 -12.234 -14.427 1.315 419 2HB PRO 71 HB1 PRO 71 -12.183 -15.969 2.179 420 1HG PRO 71 HG2 PRO 71 -13.900 -15.239 -0.021 421 2HG PRO 71 HG1 PRO 71 -13.837 -16.782 0.841 422 1HD PRO 71 HD2 PRO 71 -15.887 -14.759 0.988 423 2HD PRO 71 HD1 PRO 71 -15.818 -16.308 1.852 424 H GLU 72 HN GLU 72 -14.366 -12.699 4.656 425 HA GLU 72 HA GLU 72 -13.641 -10.350 3.179 426 1HB GLU 72 HB2 GLU 72 -14.617 -10.949 5.933 427 2HB GLU 72 HB1 GLU 72 -13.848 -9.381 5.678 428 1HG GLU 72 HG2 GLU 72 -15.381 -8.989 3.747 429 2HG GLU 72 HG1 GLU 72 -16.199 -10.504 4.127 430 H ILE 73 HN ILE 73 -12.345 -11.141 6.410 431 HA ILE 73 HA ILE 73 -10.058 -9.604 6.320 432 HB ILE 73 HB ILE 73 -10.951 -11.194 8.184 433 1HG1 ILE 73 HG12 ILE 73 -8.149 -11.502 8.511 434 2HG1 ILE 73 HG11 ILE 73 -8.411 -9.999 7.627 435 1HG2 ILE 73 HG21 ILE 73 -8.986 -13.003 6.744 436 2HG2 ILE 73 HG23 ILE 73 -9.655 -13.309 8.347 437 3HG2 ILE 73 HG22 ILE 73 -10.715 -13.293 6.938 438 1HD1 ILE 73 HD12 ILE 73 -10.397 -9.931 9.549 439 2HD1 ILE 73 HD11 ILE 73 -9.039 -10.650 10.415 440 3HD1 ILE 73 HD13 ILE 73 -8.857 -9.074 9.645 441 H THR 74 HN THR 74 -10.519 -12.801 4.853 442 HA THR 74 HA THR 74 -7.836 -13.265 4.039 443 HB THR 74 HB THR 74 -10.399 -14.050 2.617 444 HG1 THR 74 HG1 THR 74 -9.898 -16.046 3.800 445 1HG2 THR 74 HG22 THR 74 -7.867 -14.233 1.631 446 2HG2 THR 74 HG21 THR 74 -7.988 -15.758 2.508 447 3HG2 THR 74 HG23 THR 74 -9.155 -15.374 1.243 448 H LEU 75 HN LEU 75 -10.499 -11.620 2.310 449 HA LEU 75 HA LEU 75 -8.779 -10.936 0.061 450 1HB LEU 75 HB2 LEU 75 -11.481 -11.043 0.355 451 2HB LEU 75 HB1 LEU 75 -11.214 -9.310 0.539 452 HG LEU 75 HG LEU 75 -10.417 -11.062 -1.796 453 1HD1 LEU 75 HD13 LEU 75 -12.740 -9.701 -1.313 454 2HD1 LEU 75 HD12 LEU 75 -11.799 -8.478 -2.167 455 3HD1 LEU 75 HD11 LEU 75 -12.110 -10.040 -2.924 456 1HD2 LEU 75 HD21 LEU 75 -8.597 -9.451 -1.118 457 2HD2 LEU 75 HD23 LEU 75 -9.258 -9.150 -2.724 458 3HD2 LEU 75 HD22 LEU 75 -9.747 -8.136 -1.366 459 H ILE 76 HN ILE 76 -10.107 -9.078 2.833 460 HA ILE 76 HA ILE 76 -8.924 -6.599 2.133 461 HB ILE 76 HB ILE 76 -9.226 -7.634 4.965 462 1HG1 ILE 76 HG12 ILE 76 -11.280 -6.476 3.059 463 2HG1 ILE 76 HG11 ILE 76 -11.318 -8.065 3.825 464 1HG2 ILE 76 HG23 ILE 76 -8.042 -5.419 4.443 465 2HG2 ILE 76 HG22 ILE 76 -9.610 -4.838 3.882 466 3HG2 ILE 76 HG21 ILE 76 -9.404 -5.336 5.561 467 1HD1 ILE 76 HD12 ILE 76 -11.288 -5.485 5.399 468 2HD1 ILE 76 HD11 ILE 76 -12.779 -6.298 4.923 469 3HD1 ILE 76 HD13 ILE 76 -11.637 -7.107 5.997 470 H ILE 77 HN ILE 77 -7.581 -9.235 4.176 471 HA ILE 77 HA ILE 77 -5.083 -7.966 4.682 472 HB ILE 77 HB ILE 77 -4.214 -10.164 5.206 473 1HG1 ILE 77 HG12 ILE 77 -6.635 -11.188 3.705 474 2HG1 ILE 77 HG11 ILE 77 -4.952 -11.369 3.217 475 1HG2 ILE 77 HG21 ILE 77 -6.840 -9.266 6.099 476 2HG2 ILE 77 HG23 ILE 77 -6.653 -11.012 6.260 477 3HG2 ILE 77 HG22 ILE 77 -5.504 -9.926 7.042 478 1HD1 ILE 77 HD12 ILE 77 -6.095 -12.462 5.803 479 2HD1 ILE 77 HD11 ILE 77 -5.897 -13.414 4.330 480 3HD1 ILE 77 HD13 ILE 77 -4.482 -12.754 5.151 481 H PHE 78 HN PHE 78 -6.084 -10.158 2.055 482 HA PHE 78 HA PHE 78 -3.612 -10.207 0.660 483 1HB PHE 78 HB2 PHE 78 -6.408 -10.837 0.034 484 2HB PHE 78 HB1 PHE 78 -5.521 -10.215 -1.357 485 HD1 PHE 78 HD1 PHE 78 -4.516 -12.332 1.574 486 HD2 PHE 78 HD2 PHE 78 -4.798 -11.977 -2.697 487 HE1 PHE 78 HE1 PHE 78 -3.369 -14.516 1.317 488 HE2 PHE 78 HE2 PHE 78 -3.653 -14.162 -2.955 489 HZ PHE 78 HZ PHE 78 -2.938 -15.431 -0.948 490 H GLY 79 HN GLY 79 -6.367 -7.947 0.323 491 1HA GLY 79 HA2 GLY 79 -5.250 -6.339 -1.729 492 2HA GLY 79 HA1 GLY 79 -6.401 -5.751 -0.524 493 H VAL 80 HN VAL 80 -4.964 -6.020 1.828 494 HA VAL 80 HA VAL 80 -3.317 -3.709 1.842 495 HB VAL 80 HB VAL 80 -3.344 -6.078 3.733 496 1HG1 VAL 80 HG13 VAL 80 -1.316 -4.357 3.643 497 2HG1 VAL 80 HG12 VAL 80 -2.451 -3.334 4.525 498 3HG1 VAL 80 HG11 VAL 80 -1.979 -4.900 5.185 499 1HG2 VAL 80 HG21 VAL 80 -5.361 -4.312 3.209 500 2HG2 VAL 80 HG23 VAL 80 -5.114 -5.077 4.779 501 3HG2 VAL 80 HG22 VAL 80 -4.494 -3.452 4.483 502 H MET 81 HN MET 81 -2.410 -7.162 1.747 503 HA MET 81 HA MET 81 0.405 -6.787 1.631 504 1HB MET 81 HB2 MET 81 -1.279 -8.939 0.306 505 2HB MET 81 HB1 MET 81 0.462 -9.027 0.581 506 1HG MET 81 HG2 MET 81 0.081 -8.834 3.018 507 2HG MET 81 HG1 MET 81 -1.659 -8.770 2.735 508 1HE MET 81 HE1 MET 81 0.808 -10.445 4.053 509 2HE MET 81 HE3 MET 81 0.568 -12.190 3.892 510 3HE MET 81 HE2 MET 81 1.557 -11.321 2.720 511 H ALA 82 HN ALA 82 -2.004 -7.022 -0.980 512 HA ALA 82 HA ALA 82 -0.227 -6.733 -3.159 513 1HB ALA 82 HB1 ALA 82 -3.113 -6.565 -2.745 514 2HB ALA 82 HB3 ALA 82 -2.552 -5.428 -3.976 515 3HB ALA 82 HB2 ALA 82 -2.209 -7.149 -4.140 516 H GLY 83 HN GLY 83 -1.940 -4.164 -1.301 517 1HA GLY 83 HA2 GLY 83 -1.011 -1.983 -2.844 518 2HA GLY 83 HA1 GLY 83 -1.414 -1.886 -1.129 519 H VAL 84 HN VAL 84 0.487 -3.540 0.017 520 HA VAL 84 HA VAL 84 2.779 -1.871 0.146 521 HB VAL 84 HB VAL 84 2.416 -4.801 0.823 522 1HG1 VAL 84 HG12 VAL 84 4.831 -3.138 0.717 523 2HG1 VAL 84 HG11 VAL 84 4.554 -3.854 2.305 524 3HG1 VAL 84 HG13 VAL 84 4.680 -4.887 0.882 525 1HG2 VAL 84 HG22 VAL 84 1.735 -2.297 2.086 526 2HG2 VAL 84 HG21 VAL 84 1.397 -3.938 2.638 527 3HG2 VAL 84 HG23 VAL 84 2.916 -3.155 3.076 528 H ILE 85 HN ILE 85 2.301 -4.925 -1.663 529 HA ILE 85 HA ILE 85 4.874 -5.054 -2.840 530 HB ILE 85 HB ILE 85 2.167 -5.970 -3.837 531 1HG1 ILE 85 HG12 ILE 85 4.396 -7.804 -3.097 532 2HG1 ILE 85 HG11 ILE 85 3.627 -6.920 -1.778 533 1HG2 ILE 85 HG23 ILE 85 4.793 -5.896 -5.186 534 2HG2 ILE 85 HG22 ILE 85 4.007 -7.475 -5.197 535 3HG2 ILE 85 HG21 ILE 85 3.179 -6.072 -5.875 536 1HD1 ILE 85 HD13 ILE 85 1.932 -8.315 -3.832 537 2HD1 ILE 85 HD12 ILE 85 2.638 -9.234 -2.502 538 3HD1 ILE 85 HD11 ILE 85 1.536 -7.898 -2.165 539 H GLY 86 HN GLY 86 1.909 -3.472 -4.064 540 1HA GLY 86 HA2 GLY 86 2.978 -2.515 -6.500 541 2HA GLY 86 HA1 GLY 86 1.663 -1.736 -5.619 542 H THR 87 HN THR 87 2.923 -0.949 -3.286 543 HA THR 87 HA THR 87 4.195 1.466 -4.036 544 HB THR 87 HB THR 87 4.468 -0.056 -1.426 545 HG1 THR 87 HG1 THR 87 2.320 0.643 -2.327 546 1HG2 THR 87 HG22 THR 87 5.547 2.474 -2.400 547 2HG2 THR 87 HG21 THR 87 4.565 2.685 -0.950 548 3HG2 THR 87 HG23 THR 87 5.940 1.581 -0.930 549 H ILE 88 HN ILE 88 5.662 -1.605 -2.917 550 HA ILE 88 HA ILE 88 8.363 -0.754 -3.015 551 HB ILE 88 HB ILE 88 7.215 -3.490 -3.655 552 1HG1 ILE 88 HG12 ILE 88 8.339 -2.369 -1.068 553 2HG1 ILE 88 HG11 ILE 88 6.619 -2.556 -1.410 554 1HG2 ILE 88 HG23 ILE 88 9.919 -2.433 -3.696 555 2HG2 ILE 88 HG22 ILE 88 9.759 -3.703 -2.483 556 3HG2 ILE 88 HG21 ILE 88 9.343 -4.033 -4.164 557 1HD1 ILE 88 HD12 ILE 88 8.131 -5.001 -1.950 558 2HD1 ILE 88 HD11 ILE 88 8.264 -4.485 -0.268 559 3HD1 ILE 88 HD13 ILE 88 6.676 -4.774 -0.979 560 H LEU 89 HN LEU 89 6.354 -2.241 -5.569 561 HA LEU 89 HA LEU 89 8.339 -2.250 -7.591 562 1HB LEU 89 HB2 LEU 89 6.671 -2.983 -8.955 563 2HB LEU 89 HB1 LEU 89 5.742 -3.081 -7.466 564 HG LEU 89 HG LEU 89 5.034 -0.652 -7.944 565 1HD1 LEU 89 HD11 LEU 89 6.846 -1.093 -10.114 566 2HD1 LEU 89 HD13 LEU 89 5.228 -0.890 -10.784 567 3HD1 LEU 89 HD12 LEU 89 5.918 0.363 -9.752 568 1HD2 LEU 89 HD22 LEU 89 3.744 -2.873 -8.367 569 2HD2 LEU 89 HD21 LEU 89 3.162 -1.405 -9.151 570 3HD2 LEU 89 HD23 LEU 89 4.110 -2.577 -10.067 571 H LEU 90 HN LEU 90 5.981 0.284 -6.731 572 HA LEU 90 HA LEU 90 6.696 2.161 -8.740 573 1HB LEU 90 HB2 LEU 90 4.757 2.319 -7.086 574 2HB LEU 90 HB1 LEU 90 5.932 2.892 -5.901 575 HG LEU 90 HG LEU 90 4.722 4.726 -7.155 576 1HD1 LEU 90 HD13 LEU 90 7.314 4.587 -6.288 577 2HD1 LEU 90 HD12 LEU 90 7.540 5.060 -7.972 578 3HD1 LEU 90 HD11 LEU 90 6.552 6.055 -6.901 579 1HD2 LEU 90 HD21 LEU 90 5.127 3.189 -9.353 580 2HD2 LEU 90 HD23 LEU 90 4.864 4.931 -9.434 581 3HD2 LEU 90 HD22 LEU 90 6.504 4.284 -9.490 582 H ILE 91 HN ILE 91 8.032 1.738 -5.450 583 HA ILE 91 HA ILE 91 9.908 3.861 -5.544 584 HB ILE 91 HB ILE 91 10.150 1.158 -4.183 585 1HG1 ILE 91 HG12 ILE 91 9.261 3.839 -3.073 586 2HG1 ILE 91 HG11 ILE 91 8.147 2.572 -3.592 587 1HG2 ILE 91 HG22 ILE 91 11.935 3.473 -4.356 588 2HG2 ILE 91 HG21 ILE 91 11.515 3.064 -2.692 589 3HG2 ILE 91 HG23 ILE 91 12.258 1.852 -3.737 590 1HD1 ILE 91 HD12 ILE 91 9.453 1.024 -1.994 591 2HD1 ILE 91 HD11 ILE 91 10.122 2.505 -1.310 592 3HD1 ILE 91 HD13 ILE 91 8.383 2.218 -1.262 593 H SER 92 HN SER 92 10.328 0.440 -6.549 594 HA SER 92 HA SER 92 13.038 0.695 -7.358 595 1HB SER 92 HB2 SER 92 10.893 -0.991 -8.688 596 2HB SER 92 HB1 SER 92 12.633 -1.248 -8.786 597 HG SER 92 HG SER 92 11.280 -2.453 -7.141 598 H TYR 93 HN TYR 93 10.031 1.206 -9.237 599 HA TYR 93 HA TYR 93 11.283 1.959 -11.672 600 1HB TYR 93 HB2 TYR 93 8.813 1.555 -11.327 601 2HB TYR 93 HB1 TYR 93 8.721 3.145 -10.568 602 HD1 TYR 93 HD1 TYR 93 10.260 1.619 -13.639 603 HD2 TYR 93 HD2 TYR 93 8.052 4.892 -11.949 604 HE1 TYR 93 HE1 TYR 93 10.119 2.679 -15.876 605 HE2 TYR 93 HE2 TYR 93 7.909 5.952 -14.187 606 HH TYR 93 HH TYR 93 8.331 4.450 -16.961 607 H GLY 94 HN GLY 94 10.265 4.002 -8.914 608 1HA GLY 94 HA2 GLY 94 11.078 6.491 -9.980 609 2HA GLY 94 HA1 GLY 94 11.002 6.124 -8.258 610 H ILE 95 HN ILE 95 12.958 4.186 -7.979 611 HA ILE 95 HA ILE 95 15.325 5.758 -7.883 612 HB ILE 95 HB ILE 95 16.374 3.952 -6.940 613 1HG1 ILE 95 HG12 ILE 95 14.886 2.012 -8.735 614 2HG1 ILE 95 HG11 ILE 95 16.460 2.698 -9.135 615 1HG2 ILE 95 HG22 ILE 95 13.740 4.121 -6.302 616 2HG2 ILE 95 HG21 ILE 95 13.844 2.431 -6.799 617 3HG2 ILE 95 HG23 ILE 95 14.876 3.035 -5.504 618 1HD1 ILE 95 HD12 ILE 95 16.855 1.820 -6.559 619 2HD1 ILE 95 HD11 ILE 95 15.775 0.587 -7.208 620 3HD1 ILE 95 HD13 ILE 95 17.309 0.925 -8.009 621 H ARG 96 HN ARG 96 14.353 3.301 -10.282 622 HA ARG 96 HA ARG 96 16.666 3.444 -11.913 623 1HB ARG 96 HB2 ARG 96 13.790 3.027 -12.784 624 2HB ARG 96 HB1 ARG 96 15.222 2.610 -13.727 625 1HG ARG 96 HG2 ARG 96 15.907 1.226 -11.621 626 2HG ARG 96 HG1 ARG 96 14.200 1.343 -11.196 627 1HD ARG 96 HD2 ARG 96 15.455 0.019 -13.591 628 2HD ARG 96 HD1 ARG 96 14.294 -0.647 -12.442 629 HE ARG 96 HE ARG 96 12.918 1.439 -13.643 630 1HH1 ARG 96 HH21 ARG 96 13.639 -1.788 -14.161 631 2HH1 ARG 96 HH22 ARG 96 13.151 -1.819 -15.823 632 1HH2 ARG 96 HH11 ARG 96 12.727 1.616 -16.037 633 2HH2 ARG 96 HH12 ARG 96 12.635 0.109 -16.885 634 H ARG 97 HN ARG 97 13.658 5.369 -12.085 635 HA ARG 97 HA ARG 97 14.385 6.944 -14.324 636 1HB ARG 97 HB2 ARG 97 12.137 6.857 -13.007 637 2HB ARG 97 HB1 ARG 97 12.863 8.113 -12.003 638 1HG ARG 97 HG2 ARG 97 13.337 9.413 -14.106 639 2HG ARG 97 HG1 ARG 97 12.405 8.211 -14.995 640 1HD ARG 97 HD2 ARG 97 10.429 9.048 -14.282 641 2HD ARG 97 HD1 ARG 97 11.000 9.208 -12.623 642 HE ARG 97 HE ARG 97 10.628 11.406 -14.216 643 1HH1 ARG 97 HH21 ARG 97 13.077 11.665 -15.481 644 2HH1 ARG 97 HH22 ARG 97 14.175 12.304 -14.304 645 1HH2 ARG 97 HH11 ARG 97 12.192 11.439 -11.595 646 2HH2 ARG 97 HH12 ARG 97 13.675 12.175 -12.104 647 H LEU 98 HN LEU 98 14.970 7.558 -10.851 648 HA LEU 98 HA LEU 98 16.270 10.057 -11.137 649 1HB LEU 98 HB2 LEU 98 15.920 8.091 -9.070 650 2HB LEU 98 HB1 LEU 98 17.603 8.617 -9.082 651 HG LEU 98 HG LEU 98 15.418 10.666 -9.285 652 1HD1 LEU 98 HD13 LEU 98 15.599 8.838 -7.147 653 2HD1 LEU 98 HD12 LEU 98 16.360 10.320 -6.569 654 3HD1 LEU 98 HD11 LEU 98 14.703 10.357 -7.171 655 1HD2 LEU 98 HD21 LEU 98 17.843 11.229 -9.607 656 2HD2 LEU 98 HD23 LEU 98 17.110 12.077 -8.244 657 3HD2 LEU 98 HD22 LEU 98 18.148 10.680 -7.959 658 H ILE 99 HN ILE 99 17.662 6.769 -11.171 659 HA ILE 99 HA ILE 99 20.354 7.699 -11.701 660 HB ILE 99 HB ILE 99 20.776 5.309 -12.294 661 1HG1 ILE 99 HG12 ILE 99 17.808 5.001 -11.745 662 2HG1 ILE 99 HG11 ILE 99 18.541 4.933 -13.348 663 1HG2 ILE 99 HG22 ILE 99 19.370 6.121 -9.774 664 2HG2 ILE 99 HG21 ILE 99 19.766 4.419 -10.015 665 3HG2 ILE 99 HG23 ILE 99 21.048 5.630 -10.008 666 1HD1 ILE 99 HD12 ILE 99 20.106 3.144 -12.040 667 2HD1 ILE 99 HD11 ILE 99 18.593 2.930 -11.160 668 3HD1 ILE 99 HD13 ILE 99 18.638 2.691 -12.906 669 H LYS 100 HN LYS 100 17.534 7.365 -13.605 670 HA LYS 100 HA LYS 100 19.170 7.489 -16.107 671 1HB LYS 100 HB2 LYS 100 16.998 5.809 -15.411 672 2HB LYS 100 HB1 LYS 100 16.375 6.962 -16.593 673 1HG LYS 100 HG2 LYS 100 17.269 5.106 -17.835 674 2HG LYS 100 HG1 LYS 100 18.407 6.441 -18.019 675 1HD LYS 100 HD2 LYS 100 19.979 5.477 -16.586 676 2HD LYS 100 HD1 LYS 100 18.771 4.483 -15.770 677 1HE LYS 100 HE2 LYS 100 19.427 2.790 -17.109 678 2HE LYS 100 HE1 LYS 100 18.638 3.654 -18.429 679 1HZ LYS 100 HZ2 LYS 100 21.411 4.259 -17.596 680 2HZ LYS 100 HZ1 LYS 100 21.062 3.054 -18.741 681 3HZ LYS 100 HZ3 LYS 100 20.636 4.666 -19.052 682 H LYS 101 HN LYS 101 17.116 8.451 -17.783 683 HA LYS 101 HA LYS 101 16.286 11.022 -16.540 684 1HB LYS 101 HB2 LYS 101 17.209 12.344 -18.317 685 2HB LYS 101 HB1 LYS 101 18.504 11.292 -17.751 686 1HG LYS 101 HG2 LYS 101 16.734 10.450 -20.046 687 2HG LYS 101 HG1 LYS 101 18.124 11.499 -20.314 688 1HD LYS 101 HD2 LYS 101 19.614 9.820 -19.972 689 2HD LYS 101 HD1 LYS 101 18.696 9.153 -18.623 690 1HE LYS 101 HE2 LYS 101 17.998 7.511 -19.996 691 2HE LYS 101 HE1 LYS 101 17.098 8.727 -20.902 692 1HZ LYS 101 HZ3 LYS 101 19.977 8.354 -21.392 693 2HZ LYS 101 HZ2 LYS 101 18.853 7.298 -22.107 694 3HZ LYS 101 HZ1 LYS 101 18.785 8.964 -22.431 No H/Q in entry = 694 Start of MODEL 3 1 1H VAL 62 HT2 VAL 62 -21.629 16.908 15.359 2 2H VAL 62 HT1 VAL 62 -22.668 17.769 16.392 3 3H VAL 62 HT3 VAL 62 -21.160 17.238 16.958 4 HA VAL 62 HA VAL 62 -21.807 14.990 16.944 5 HB VAL 62 HB VAL 62 -24.277 16.458 17.880 6 1HG1 VAL 62 HG13 VAL 62 -22.724 14.020 18.781 7 2HG1 VAL 62 HG12 VAL 62 -23.974 14.776 19.769 8 3HG1 VAL 62 HG11 VAL 62 -24.388 14.086 18.200 9 1HG2 VAL 62 HG23 VAL 62 -21.449 16.630 18.845 10 2HG2 VAL 62 HG22 VAL 62 -22.709 17.864 18.846 11 3HG2 VAL 62 HG21 VAL 62 -22.732 16.580 20.054 12 H GLN 63 HN GLN 63 -23.490 13.369 16.410 13 HA GLN 63 HA GLN 63 -25.744 13.939 14.757 14 1HB GLN 63 HB2 GLN 63 -24.845 13.151 12.571 15 2HB GLN 63 HB1 GLN 63 -24.088 14.653 13.099 16 1HG GLN 63 HG2 GLN 63 -22.138 13.552 12.698 17 2HG GLN 63 HG1 GLN 63 -22.448 12.795 14.261 18 1HE2 GLN 63 HE22 GLN 63 -22.257 9.702 12.541 19 2HE2 GLN 63 HE21 GLN 63 -21.548 10.717 13.702 20 H LEU 64 HN LEU 64 -26.811 11.956 14.084 21 HA LEU 64 HA LEU 64 -26.510 9.771 15.839 22 1HB LEU 64 HB2 LEU 64 -27.840 8.475 14.153 23 2HB LEU 64 HB1 LEU 64 -28.551 10.041 14.548 24 HG LEU 64 HG LEU 64 -26.659 10.299 12.366 25 1HD1 LEU 64 HD13 LEU 64 -27.466 7.867 12.106 26 2HD1 LEU 64 HD12 LEU 64 -29.050 8.556 11.753 27 3HD1 LEU 64 HD11 LEU 64 -27.675 8.927 10.713 28 1HD2 LEU 64 HD21 LEU 64 -28.578 11.822 13.093 29 2HD2 LEU 64 HD23 LEU 64 -28.480 11.493 11.362 30 3HD2 LEU 64 HD22 LEU 64 -29.667 10.647 12.354 31 H ALA 65 HN ALA 65 -25.999 7.447 14.964 32 HA ALA 65 HA ALA 65 -23.978 7.244 12.897 33 1HB ALA 65 HB3 ALA 65 -23.077 8.034 15.455 34 2HB ALA 65 HB2 ALA 65 -22.644 6.334 15.290 35 3HB ALA 65 HB1 ALA 65 -22.089 7.505 14.093 36 H HIS 66 HN HIS 66 -24.933 5.389 12.085 37 HA HIS 66 HA HIS 66 -26.067 3.334 13.767 38 1HB HIS 66 HB2 HIS 66 -25.172 3.039 10.889 39 2HB HIS 66 HB1 HIS 66 -26.416 2.111 11.727 40 HD1 HIS 66 HD1 HIS 66 -25.930 5.118 9.705 41 HD2 HIS 66 HD2 HIS 66 -28.742 3.805 12.489 42 HE1 HIS 66 HE1 HIS 66 -27.961 6.605 9.428 43 H HIS 67 HN HIS 67 -24.855 1.092 12.215 44 HA HIS 67 HA HIS 67 -22.760 0.414 14.056 45 1HB HIS 67 HB2 HIS 67 -23.370 -0.806 11.346 46 2HB HIS 67 HB1 HIS 67 -22.428 -1.556 12.635 47 HD1 HIS 67 HD1 HIS 67 -25.353 -2.416 11.369 48 HD2 HIS 67 HD2 HIS 67 -24.558 -0.787 15.122 49 HE1 HIS 67 HE1 HIS 67 -27.299 -3.061 12.856 50 H PHE 68 HN PHE 68 -20.601 -0.514 12.806 51 HA PHE 68 HA PHE 68 -19.516 1.852 11.327 52 1HB PHE 68 HB2 PHE 68 -18.508 0.303 13.608 53 2HB PHE 68 HB1 PHE 68 -17.323 0.486 12.315 54 HD1 PHE 68 HD1 PHE 68 -19.889 2.534 14.141 55 HD2 PHE 68 HD2 PHE 68 -16.008 2.408 12.304 56 HE1 PHE 68 HE1 PHE 68 -19.478 4.875 14.848 57 HE2 PHE 68 HE2 PHE 68 -15.598 4.749 13.011 58 HZ PHE 68 HZ PHE 68 -17.332 5.983 14.283 59 H SER 69 HN SER 69 -20.342 -1.403 11.063 60 HA SER 69 HA SER 69 -18.351 -2.645 9.575 61 1HB SER 69 HB2 SER 69 -20.320 -3.675 8.255 62 2HB SER 69 HB1 SER 69 -20.299 -3.915 10.000 63 HG SER 69 HG SER 69 -22.197 -3.017 9.926 64 H GLU 70 HN GLU 70 -18.012 -2.823 7.229 65 HA GLU 70 HA GLU 70 -18.992 -0.483 5.664 66 1HB GLU 70 HB2 GLU 70 -16.116 -1.343 6.041 67 2HB GLU 70 HB1 GLU 70 -16.631 -0.325 4.697 68 1HG GLU 70 HG2 GLU 70 -17.561 0.511 7.389 69 2HG GLU 70 HG1 GLU 70 -15.833 0.681 7.079 70 HA PRO 71 HA PRO 71 -19.727 -3.338 2.444 71 1HB PRO 71 HB2 PRO 71 -18.660 -1.651 0.366 72 2HB PRO 71 HB1 PRO 71 -20.356 -1.909 0.799 73 1HG PRO 71 HG2 PRO 71 -18.766 0.444 1.274 74 2HG PRO 71 HG1 PRO 71 -20.453 0.168 1.729 75 1HD PRO 71 HD2 PRO 71 -18.145 0.250 3.461 76 2HD PRO 71 HD1 PRO 71 -19.841 -0.014 3.913 77 H GLU 72 HN GLU 72 -18.542 -4.462 0.568 78 HA GLU 72 HA GLU 72 -15.994 -5.407 1.450 79 1HB GLU 72 HB2 GLU 72 -17.236 -5.580 -1.312 80 2HB GLU 72 HB1 GLU 72 -15.894 -6.563 -0.725 81 1HG GLU 72 HG2 GLU 72 -17.335 -8.006 0.220 82 2HG GLU 72 HG1 GLU 72 -18.037 -6.702 1.179 83 H ILE 73 HN ILE 73 -16.506 -3.861 -1.727 84 HA ILE 73 HA ILE 73 -13.932 -3.130 -2.304 85 HB ILE 73 HB ILE 73 -16.114 -2.661 -3.616 86 1HG1 ILE 73 HG12 ILE 73 -14.694 -0.295 -4.216 87 2HG1 ILE 73 HG11 ILE 73 -13.503 -1.456 -3.630 88 1HG2 ILE 73 HG23 ILE 73 -16.905 -1.120 -1.666 89 2HG2 ILE 73 HG22 ILE 73 -15.840 0.081 -2.398 90 3HG2 ILE 73 HG21 ILE 73 -17.185 -0.588 -3.324 91 1HD1 ILE 73 HD11 ILE 73 -15.082 -3.021 -5.251 92 2HD1 ILE 73 HD13 ILE 73 -15.073 -1.485 -6.116 93 3HD1 ILE 73 HD12 ILE 73 -13.552 -2.293 -5.738 94 H THR 74 HN THR 74 -16.076 -1.486 -0.014 95 HA THR 74 HA THR 74 -14.389 0.786 0.449 96 HB THR 74 HB THR 74 -15.647 0.516 2.827 97 HG1 THR 74 HG1 THR 74 -16.795 -1.244 2.653 98 1HG2 THR 74 HG22 THR 74 -15.865 2.215 0.836 99 2HG2 THR 74 HG21 THR 74 -17.306 1.276 0.443 100 3HG2 THR 74 HG23 THR 74 -17.174 2.078 2.009 101 H LEU 75 HN LEU 75 -14.661 -2.351 2.148 102 HA LEU 75 HA LEU 75 -12.450 -1.690 3.933 103 1HB LEU 75 HB2 LEU 75 -14.464 -3.490 4.125 104 2HB LEU 75 HB1 LEU 75 -13.180 -4.539 3.523 105 HG LEU 75 HG LEU 75 -13.203 -2.875 6.045 106 1HD1 LEU 75 HD11 LEU 75 -13.626 -5.623 5.402 107 2HD1 LEU 75 HD13 LEU 75 -12.108 -5.507 6.293 108 3HD1 LEU 75 HD12 LEU 75 -13.596 -4.873 6.998 109 1HD2 LEU 75 HD21 LEU 75 -10.883 -3.933 4.446 110 2HD2 LEU 75 HD23 LEU 75 -11.044 -2.386 5.279 111 3HD2 LEU 75 HD22 LEU 75 -10.775 -3.862 6.204 112 H ILE 76 HN ILE 76 -12.808 -3.878 1.102 113 HA ILE 76 HA ILE 76 -10.143 -4.847 1.139 114 HB ILE 76 HB ILE 76 -11.770 -4.226 -1.348 115 1HG1 ILE 76 HG12 ILE 76 -11.732 -6.839 0.156 116 2HG1 ILE 76 HG11 ILE 76 -12.939 -5.602 0.493 117 1HG2 ILE 76 HG22 ILE 76 -9.275 -5.691 -0.757 118 2HG2 ILE 76 HG21 ILE 76 -10.418 -6.555 -1.785 119 3HG2 ILE 76 HG23 ILE 76 -9.825 -4.965 -2.267 120 1HD1 ILE 76 HD12 ILE 76 -12.413 -6.810 -2.237 121 2HD1 ILE 76 HD11 ILE 76 -13.743 -7.265 -1.173 122 3HD1 ILE 76 HD13 ILE 76 -13.667 -5.635 -1.843 123 H ILE 77 HN ILE 77 -11.491 -1.987 -0.554 124 HA ILE 77 HA ILE 77 -9.016 -1.082 -1.627 125 HB ILE 77 HB ILE 77 -11.394 -0.204 -2.116 126 1HG1 ILE 77 HG12 ILE 77 -9.558 2.105 -1.672 127 2HG1 ILE 77 HG11 ILE 77 -8.959 0.781 -2.670 128 1HG2 ILE 77 HG21 ILE 77 -10.678 1.507 0.283 129 2HG2 ILE 77 HG23 ILE 77 -12.051 1.769 -0.792 130 3HG2 ILE 77 HG22 ILE 77 -11.983 0.324 0.214 131 1HD1 ILE 77 HD13 ILE 77 -11.620 1.254 -3.505 132 2HD1 ILE 77 HD12 ILE 77 -10.858 2.838 -3.361 133 3HD1 ILE 77 HD11 ILE 77 -10.140 1.605 -4.398 134 H PHE 78 HN PHE 78 -10.628 -0.308 1.454 135 HA PHE 78 HA PHE 78 -8.694 1.502 2.456 136 1HB PHE 78 HB2 PHE 78 -10.809 -0.201 3.640 137 2HB PHE 78 HB1 PHE 78 -9.507 0.251 4.736 138 HD1 PHE 78 HD1 PHE 78 -11.646 1.821 2.075 139 HD2 PHE 78 HD2 PHE 78 -9.698 2.264 5.878 140 HE1 PHE 78 HE1 PHE 78 -12.617 4.091 2.308 141 HE2 PHE 78 HE2 PHE 78 -10.667 4.535 6.110 142 HZ PHE 78 HZ PHE 78 -12.126 5.448 4.325 143 H GLY 79 HN GLY 79 -8.835 -2.061 2.879 144 1HA GLY 79 HA2 GLY 79 -6.524 -2.284 4.501 145 2HA GLY 79 HA1 GLY 79 -7.099 -3.554 3.417 146 H VAL 80 HN VAL 80 -6.802 -2.392 0.936 147 HA VAL 80 HA VAL 80 -4.037 -2.732 0.389 148 HB VAL 80 HB VAL 80 -6.069 -1.158 -1.223 149 1HG1 VAL 80 HG13 VAL 80 -3.477 -1.086 -1.701 150 2HG1 VAL 80 HG12 VAL 80 -3.749 -2.708 -2.337 151 3HG1 VAL 80 HG11 VAL 80 -4.607 -1.332 -3.033 152 1HG2 VAL 80 HG21 VAL 80 -6.178 -3.830 -0.456 153 2HG2 VAL 80 HG23 VAL 80 -6.997 -3.130 -1.853 154 3HG2 VAL 80 HG22 VAL 80 -5.421 -3.897 -2.047 155 H MET 81 HN MET 81 -5.946 0.260 0.760 156 HA MET 81 HA MET 81 -3.838 2.114 0.346 157 1HB MET 81 HB2 MET 81 -6.157 2.400 2.281 158 2HB MET 81 HB1 MET 81 -5.227 3.710 1.552 159 1HG MET 81 HG2 MET 81 -6.092 2.103 -0.596 160 2HG MET 81 HG1 MET 81 -7.488 2.273 0.468 161 1HE MET 81 HE2 MET 81 -8.552 4.125 1.188 162 2HE MET 81 HE1 MET 81 -8.673 5.661 0.335 163 3HE MET 81 HE3 MET 81 -9.164 4.161 -0.464 164 H ALA 82 HN ALA 82 -4.978 0.572 3.347 165 HA ALA 82 HA ALA 82 -3.153 1.815 5.115 166 1HB ALA 82 HB1 ALA 82 -4.930 -0.505 5.195 167 2HB ALA 82 HB3 ALA 82 -3.447 -0.776 6.117 168 3HB ALA 82 HB2 ALA 82 -4.477 0.606 6.486 169 H GLY 83 HN GLY 83 -2.765 -1.203 3.203 170 1HA GLY 83 HA2 GLY 83 -0.198 -1.893 4.169 171 2HA GLY 83 HA1 GLY 83 -0.795 -2.291 2.556 172 H VAL 84 HN VAL 84 -1.094 0.220 1.407 173 HA VAL 84 HA VAL 84 1.553 0.863 0.603 174 HB VAL 84 HB VAL 84 -0.745 2.834 0.603 175 1HG1 VAL 84 HG13 VAL 84 1.889 2.929 -0.360 176 2HG1 VAL 84 HG12 VAL 84 0.896 2.615 -1.783 177 3HG1 VAL 84 HG11 VAL 84 0.577 4.029 -0.779 178 1HG2 VAL 84 HG23 VAL 84 -0.288 0.346 -1.026 179 2HG2 VAL 84 HG22 VAL 84 -1.790 0.953 -0.329 180 3HG2 VAL 84 HG21 VAL 84 -1.098 1.733 -1.752 181 H ILE 85 HN ILE 85 -0.559 2.503 2.986 182 HA ILE 85 HA ILE 85 1.260 4.538 3.748 183 HB ILE 85 HB ILE 85 -0.867 3.082 5.340 184 1HG1 ILE 85 HG12 ILE 85 -1.124 5.938 4.627 185 2HG1 ILE 85 HG11 ILE 85 -1.109 4.838 3.248 186 1HG2 ILE 85 HG23 ILE 85 1.241 4.732 6.305 187 2HG2 ILE 85 HG22 ILE 85 -0.237 5.690 6.364 188 3HG2 ILE 85 HG21 ILE 85 -0.158 4.138 7.198 189 1HD1 ILE 85 HD13 ILE 85 -2.785 4.006 5.552 190 2HD1 ILE 85 HD12 ILE 85 -3.353 5.413 4.651 191 3HD1 ILE 85 HD11 ILE 85 -3.103 3.876 3.822 192 H GLY 86 HN GLY 86 0.836 1.250 5.090 193 1HA GLY 86 HA2 GLY 86 2.796 1.407 7.119 194 2HA GLY 86 HA1 GLY 86 2.329 -0.086 6.304 195 H THR 87 HN THR 87 3.158 0.402 3.702 196 HA THR 87 HA THR 87 5.923 -0.202 3.802 197 HB THR 87 HB THR 87 4.425 1.083 1.497 198 HG1 THR 87 HG1 THR 87 3.457 -0.841 2.319 199 1HG2 THR 87 HG22 THR 87 7.105 0.649 1.714 200 2HG2 THR 87 HG21 THR 87 6.577 -0.898 1.056 201 3HG2 THR 87 HG23 THR 87 6.226 0.596 0.187 202 H ILE 88 HN ILE 88 4.299 2.912 3.114 203 HA ILE 88 HA ILE 88 6.649 4.458 2.723 204 HB ILE 88 HB ILE 88 4.066 5.343 4.052 205 1HG1 ILE 88 HG12 ILE 88 4.891 5.272 1.130 206 2HG1 ILE 88 HG11 ILE 88 3.640 4.279 1.878 207 1HG2 ILE 88 HG21 ILE 88 6.494 6.728 3.011 208 2HG2 ILE 88 HG23 ILE 88 4.935 7.482 2.676 209 3HG2 ILE 88 HG22 ILE 88 5.427 7.178 4.342 210 1HD1 ILE 88 HD13 ILE 88 3.237 7.110 2.436 211 2HD1 ILE 88 HD12 ILE 88 3.270 6.786 0.701 212 3HD1 ILE 88 HD11 ILE 88 2.118 5.940 1.736 213 H LEU 89 HN LEU 89 4.841 3.741 5.714 214 HA LEU 89 HA LEU 89 6.492 5.193 7.502 215 1HB LEU 89 HB2 LEU 89 4.914 4.419 8.916 216 2HB LEU 89 HB1 LEU 89 4.337 3.311 7.678 217 HG LEU 89 HG LEU 89 6.140 1.696 8.399 218 1HD1 LEU 89 HD12 LEU 89 6.790 3.999 10.086 219 2HD1 LEU 89 HD11 LEU 89 6.632 2.505 11.008 220 3HD1 LEU 89 HD13 LEU 89 7.779 2.599 9.672 221 1HD2 LEU 89 HD23 LEU 89 3.969 2.613 10.284 222 2HD2 LEU 89 HD22 LEU 89 3.968 1.215 9.209 223 3HD2 LEU 89 HD21 LEU 89 4.974 1.213 10.658 224 H LEU 90 HN LEU 90 6.747 1.818 6.376 225 HA LEU 90 HA LEU 90 9.047 1.084 7.870 226 1HB LEU 90 HB2 LEU 90 8.014 0.226 5.160 227 2HB LEU 90 HB1 LEU 90 9.492 -0.453 5.839 228 HG LEU 90 HG LEU 90 7.121 -0.372 7.636 229 1HD1 LEU 90 HD11 LEU 90 7.270 -1.950 5.094 230 2HD1 LEU 90 HD13 LEU 90 6.584 -2.721 6.524 231 3HD1 LEU 90 HD12 LEU 90 5.865 -1.241 5.891 232 1HD2 LEU 90 HD23 LEU 90 9.400 -2.273 7.042 233 2HD2 LEU 90 HD22 LEU 90 9.130 -1.333 8.509 234 3HD2 LEU 90 HD21 LEU 90 8.079 -2.696 8.128 235 H ILE 91 HN ILE 91 8.821 2.602 4.640 236 HA ILE 91 HA ILE 91 11.601 2.752 4.110 237 HB ILE 91 HB ILE 91 9.445 4.754 3.365 238 1HG1 ILE 91 HG12 ILE 91 10.535 2.448 1.732 239 2HG1 ILE 91 HG11 ILE 91 9.076 2.316 2.714 240 1HG2 ILE 91 HG22 ILE 91 12.319 4.507 2.759 241 2HG2 ILE 91 HG21 ILE 91 11.296 4.691 1.334 242 3HG2 ILE 91 HG23 ILE 91 11.254 5.905 2.613 243 1HD1 ILE 91 HD11 ILE 91 9.336 4.599 0.784 244 2HD1 ILE 91 HD13 ILE 91 8.889 3.005 0.176 245 3HD1 ILE 91 HD12 ILE 91 7.879 3.804 1.381 246 H SER 92 HN SER 92 9.490 5.117 5.798 247 HA SER 92 HA SER 92 11.522 7.035 6.304 248 1HB SER 92 HB2 SER 92 8.881 6.377 7.440 249 2HB SER 92 HB1 SER 92 9.982 7.148 8.580 250 HG SER 92 HG SER 92 8.569 8.383 6.865 251 H TYR 93 HN TYR 93 10.488 4.225 8.263 252 HA TYR 93 HA TYR 93 12.386 4.555 10.353 253 1HB TYR 93 HB2 TYR 93 10.634 2.924 10.615 254 2HB TYR 93 HB1 TYR 93 11.143 2.061 9.163 255 HD1 TYR 93 HD2 TYR 93 12.140 2.955 12.633 256 HD2 TYR 93 HD1 TYR 93 12.917 0.465 9.220 257 HE1 TYR 93 HE2 TYR 93 13.693 1.581 13.990 258 HE2 TYR 93 HE1 TYR 93 14.473 -0.910 10.578 259 HH TYR 93 HH TYR 93 15.478 -1.145 12.541 260 H GLY 94 HN GLY 94 12.636 2.730 7.291 261 1HA GLY 94 HA2 GLY 94 15.262 1.746 7.638 262 2HA GLY 94 HA1 GLY 94 14.513 2.058 6.073 263 H ILE 95 HN ILE 95 14.194 4.812 6.114 264 HA ILE 95 HA ILE 95 16.795 5.708 5.405 265 HB ILE 95 HB ILE 95 15.842 7.722 4.866 266 1HG1 ILE 95 HG12 ILE 95 14.165 7.538 7.390 267 2HG1 ILE 95 HG11 ILE 95 15.598 8.535 7.160 268 1HG2 ILE 95 HG22 ILE 95 14.182 5.646 4.433 269 2HG2 ILE 95 HG21 ILE 95 13.134 6.653 5.431 270 3HG2 ILE 95 HG23 ILE 95 13.805 7.294 3.932 271 1HD1 ILE 95 HD13 ILE 95 13.547 8.930 5.092 272 2HD1 ILE 95 HD12 ILE 95 13.011 9.371 6.714 273 3HD1 ILE 95 HD11 ILE 95 14.449 10.125 6.024 274 H ARG 96 HN ARG 96 14.987 6.246 8.444 275 HA ARG 96 HA ARG 96 16.961 7.807 9.750 276 1HB ARG 96 HB2 ARG 96 14.873 5.883 10.773 277 2HB ARG 96 HB1 ARG 96 15.976 6.703 11.877 278 1HG ARG 96 HG2 ARG 96 14.881 8.667 11.672 279 2HG ARG 96 HG1 ARG 96 14.808 8.529 9.915 280 1HD ARG 96 HD2 ARG 96 12.541 8.509 10.843 281 2HD ARG 96 HD1 ARG 96 12.914 6.935 10.142 282 HE ARG 96 HE ARG 96 13.640 6.667 12.805 283 1HH1 ARG 96 HH21 ARG 96 10.956 6.293 10.877 284 2HH1 ARG 96 HH22 ARG 96 9.792 6.340 12.158 285 1HH2 ARG 96 HH11 ARG 96 12.089 7.312 14.568 286 2HH2 ARG 96 HH12 ARG 96 10.433 6.917 14.248 287 H ARG 97 HN ARG 97 16.555 4.253 9.701 288 HA ARG 97 HA ARG 97 18.773 3.662 11.359 289 1HB ARG 97 HB2 ARG 97 17.162 1.935 10.699 290 2HB ARG 97 HB1 ARG 97 17.677 2.076 9.016 291 1HG ARG 97 HG2 ARG 97 19.761 1.095 9.432 292 2HG ARG 97 HG1 ARG 97 19.699 1.465 11.156 293 1HD ARG 97 HD2 ARG 97 17.458 -0.140 10.731 294 2HD ARG 97 HD1 ARG 97 18.710 -0.881 9.735 295 HE ARG 97 HE ARG 97 18.610 -1.354 12.418 296 1HH1 ARG 97 HH11 ARG 97 21.046 -1.481 10.365 297 2HH1 ARG 97 HH12 ARG 97 22.290 -0.857 11.397 298 1HH2 ARG 97 HH21 ARG 97 20.077 0.309 13.799 299 2HH2 ARG 97 HH22 ARG 97 21.740 0.156 13.342 300 H LEU 98 HN LEU 98 18.634 4.016 7.815 301 HA LEU 98 HA LEU 98 21.351 3.456 7.267 302 1HB LEU 98 HB2 LEU 98 19.176 4.963 5.908 303 2HB LEU 98 HB1 LEU 98 20.822 5.293 5.369 304 HG LEU 98 HG LEU 98 19.869 2.457 5.708 305 1HD1 LEU 98 HD13 LEU 98 18.873 4.401 3.809 306 2HD1 LEU 98 HD12 LEU 98 19.751 3.122 2.971 307 3HD1 LEU 98 HD11 LEU 98 18.395 2.718 4.024 308 1HD2 LEU 98 HD22 LEU 98 22.299 3.660 5.036 309 2HD2 LEU 98 HD21 LEU 98 21.874 1.967 4.782 310 3HD2 LEU 98 HD23 LEU 98 21.636 3.140 3.486 311 H ILE 99 HN ILE 99 19.819 6.600 8.004 312 HA ILE 99 HA ILE 99 22.414 7.956 7.998 313 HB ILE 99 HB ILE 99 21.026 9.897 8.864 314 1HG1 ILE 99 HG12 ILE 99 18.479 8.808 8.134 315 2HG1 ILE 99 HG11 ILE 99 19.208 7.750 9.340 316 1HG2 ILE 99 HG23 ILE 99 20.702 8.456 6.292 317 2HG2 ILE 99 HG22 ILE 99 19.481 9.683 6.637 318 3HG2 ILE 99 HG21 ILE 99 21.188 10.125 6.595 319 1HD1 ILE 99 HD13 ILE 99 18.923 10.756 9.609 320 2HD1 ILE 99 HD12 ILE 99 17.889 9.564 10.397 321 3HD1 ILE 99 HD11 ILE 99 19.598 9.667 10.822 322 H LYS 100 HN LYS 100 21.204 5.803 10.093 323 HA LYS 100 HA LYS 100 22.460 7.191 12.424 324 1HB LYS 100 HB2 LYS 100 19.823 6.806 12.369 325 2HB LYS 100 HB1 LYS 100 20.290 5.186 12.888 326 1HG LYS 100 HG2 LYS 100 20.188 6.179 14.959 327 2HG LYS 100 HG1 LYS 100 21.848 6.612 14.548 328 1HD LYS 100 HD2 LYS 100 20.138 8.563 13.367 329 2HD LYS 100 HD1 LYS 100 19.637 8.359 15.046 330 1HE LYS 100 HE2 LYS 100 22.531 8.387 14.828 331 2HE LYS 100 HE1 LYS 100 21.832 9.846 14.126 332 1HZ LYS 100 HZ1 LYS 100 20.987 8.820 16.767 333 2HZ LYS 100 HZ3 LYS 100 22.306 9.871 16.599 334 3HZ LYS 100 HZ2 LYS 100 20.756 10.372 16.115 335 H LYS 101 HN LYS 101 24.403 6.000 11.727 336 HA LYS 101 HA LYS 101 25.907 4.235 12.147 337 1HB LYS 101 HB2 LYS 101 23.906 3.892 14.077 338 2HB LYS 101 HB1 LYS 101 24.042 2.317 13.294 339 1HG LYS 101 HG2 LYS 101 26.673 2.965 13.557 340 2HG LYS 101 HG1 LYS 101 26.000 3.760 14.981 341 1HD LYS 101 HD2 LYS 101 26.481 1.584 15.750 342 2HD LYS 101 HD1 LYS 101 24.757 1.516 15.383 343 1HE LYS 101 HE2 LYS 101 25.250 0.535 13.181 344 2HE LYS 101 HE1 LYS 101 26.978 0.628 13.518 345 1HZ LYS 101 HZ3 LYS 101 26.589 -0.809 15.465 346 2HZ LYS 101 HZ2 LYS 101 24.964 -0.976 14.998 347 3HZ LYS 101 HZ1 LYS 101 26.203 -1.570 13.999 348 1H VAL 62 HT3 VAL 62 0.127 -23.479 10.557 349 2H VAL 62 HT2 VAL 62 1.074 -22.278 11.298 350 3H VAL 62 HT1 VAL 62 0.785 -23.750 12.097 351 HA VAL 62 HA VAL 62 -0.870 -22.710 13.135 352 HB VAL 62 HB VAL 62 -1.760 -20.520 12.276 353 1HG1 VAL 62 HG11 VAL 62 0.456 -20.957 13.660 354 2HG1 VAL 62 HG13 VAL 62 1.234 -20.363 12.192 355 3HG1 VAL 62 HG12 VAL 62 0.085 -19.342 13.057 356 1HG2 VAL 62 HG23 VAL 62 -0.687 -21.460 9.858 357 2HG2 VAL 62 HG22 VAL 62 -1.356 -19.855 10.155 358 3HG2 VAL 62 HG21 VAL 62 0.375 -20.137 10.338 359 H GLN 63 HN GLN 63 -3.290 -22.300 12.801 360 HA GLN 63 HA GLN 63 -4.266 -23.730 10.362 361 1HB GLN 63 HB2 GLN 63 -4.305 -25.199 12.385 362 2HB GLN 63 HB1 GLN 63 -5.361 -24.028 13.173 363 1HG GLN 63 HG2 GLN 63 -6.494 -26.033 12.012 364 2HG GLN 63 HG1 GLN 63 -7.133 -24.430 11.651 365 1HE2 GLN 63 HE22 GLN 63 -6.311 -24.603 8.227 366 2HE2 GLN 63 HE21 GLN 63 -7.046 -23.722 9.478 367 H LEU 64 HN LEU 64 -4.088 -20.831 11.154 368 HA LEU 64 HA LEU 64 -6.810 -19.969 11.709 369 1HB LEU 64 HB2 LEU 64 -4.318 -18.772 11.818 370 2HB LEU 64 HB1 LEU 64 -5.060 -18.004 10.414 371 HG LEU 64 HG LEU 64 -7.147 -17.740 11.944 372 1HD1 LEU 64 HD11 LEU 64 -6.223 -19.231 13.731 373 2HD1 LEU 64 HD13 LEU 64 -4.967 -18.030 14.033 374 3HD1 LEU 64 HD12 LEU 64 -6.659 -17.629 14.329 375 1HD2 LEU 64 HD21 LEU 64 -5.038 -16.088 11.290 376 2HD2 LEU 64 HD23 LEU 64 -6.498 -15.569 12.132 377 3HD2 LEU 64 HD22 LEU 64 -5.054 -15.990 13.051 378 H ALA 65 HN ALA 65 -5.558 -21.399 9.027 379 HA ALA 65 HA ALA 65 -6.678 -19.658 6.973 380 1HB ALA 65 HB1 ALA 65 -4.955 -21.905 7.039 381 2HB ALA 65 HB3 ALA 65 -6.362 -22.389 6.091 382 3HB ALA 65 HB2 ALA 65 -5.432 -20.964 5.625 383 H HIS 66 HN HIS 66 -8.656 -19.987 5.848 384 HA HIS 66 HA HIS 66 -10.472 -22.048 7.031 385 1HB HIS 66 HB2 HIS 66 -10.789 -19.133 6.824 386 2HB HIS 66 HB1 HIS 66 -12.159 -20.038 6.178 387 HD1 HIS 66 HD1 HIS 66 -13.272 -18.878 8.450 388 HD2 HIS 66 HD2 HIS 66 -10.625 -22.048 9.015 389 HE1 HIS 66 HE1 HIS 66 -13.692 -19.752 10.788 390 H HIS 67 HN HIS 67 -12.571 -22.027 5.418 391 HA HIS 67 HA HIS 67 -11.896 -21.672 2.608 392 1HB HIS 67 HB2 HIS 67 -12.024 -24.075 2.013 393 2HB HIS 67 HB1 HIS 67 -10.647 -23.742 3.064 394 HD1 HIS 67 HD1 HIS 67 -13.734 -25.731 2.850 395 HD2 HIS 67 HD2 HIS 67 -11.143 -24.489 5.870 396 HE1 HIS 67 HE1 HIS 67 -14.251 -27.166 4.871 397 H PHE 68 HN PHE 68 -13.738 -23.310 1.421 398 HA PHE 68 HA PHE 68 -16.049 -23.719 1.162 399 1HB PHE 68 HB2 PHE 68 -15.713 -23.968 3.870 400 2HB PHE 68 HB1 PHE 68 -16.841 -22.616 3.784 401 HD1 PHE 68 HD2 PHE 68 -16.470 -25.526 1.471 402 HD2 PHE 68 HD1 PHE 68 -18.929 -23.542 4.381 403 HE1 PHE 68 HE2 PHE 68 -18.320 -27.101 0.980 404 HE2 PHE 68 HE1 PHE 68 -20.780 -25.119 3.890 405 HZ PHE 68 HZ PHE 68 -20.476 -26.898 2.190 406 H SER 69 HN SER 69 -15.530 -20.811 3.194 407 HA SER 69 HA SER 69 -17.078 -19.278 1.141 408 1HB SER 69 HB2 SER 69 -17.151 -19.225 4.133 409 2HB SER 69 HB1 SER 69 -17.428 -17.719 3.264 410 HG SER 69 HG SER 69 -19.153 -19.625 3.705 411 H GLU 70 HN GLU 70 -15.945 -17.638 0.206 412 HA GLU 70 HA GLU 70 -13.235 -17.179 0.450 413 1HB GLU 70 HB2 GLU 70 -15.494 -15.318 -0.257 414 2HB GLU 70 HB1 GLU 70 -13.827 -14.742 -0.240 415 1HG GLU 70 HG2 GLU 70 -13.169 -16.425 -1.861 416 2HG GLU 70 HG1 GLU 70 -14.770 -17.165 -1.797 417 HA PRO 71 HA PRO 71 -13.148 -15.805 4.737 418 1HB PRO 71 HB2 PRO 71 -10.307 -15.423 4.433 419 2HB PRO 71 HB1 PRO 71 -11.147 -16.704 5.317 420 1HG PRO 71 HG2 PRO 71 -9.743 -16.933 2.812 421 2HG PRO 71 HG1 PRO 71 -10.602 -18.205 3.692 422 1HD PRO 71 HD2 PRO 71 -11.405 -16.900 1.250 423 2HD PRO 71 HD1 PRO 71 -12.267 -18.170 2.141 424 H GLU 72 HN GLU 72 -13.992 -13.723 4.764 425 HA GLU 72 HA GLU 72 -13.269 -11.556 3.131 426 1HB GLU 72 HB2 GLU 72 -14.543 -11.835 5.807 427 2HB GLU 72 HB1 GLU 72 -13.923 -10.238 5.389 428 1HG GLU 72 HG2 GLU 72 -15.159 -10.749 3.086 429 2HG GLU 72 HG1 GLU 72 -16.126 -11.807 4.115 430 H ILE 73 HN ILE 73 -11.953 -12.412 6.345 431 HA ILE 73 HA ILE 73 -10.113 -10.297 6.584 432 HB ILE 73 HB ILE 73 -10.729 -12.096 8.305 433 1HG1 ILE 73 HG12 ILE 73 -8.112 -12.133 8.982 434 2HG1 ILE 73 HG11 ILE 73 -8.093 -10.858 7.762 435 1HG2 ILE 73 HG23 ILE 73 -10.179 -14.020 6.804 436 2HG2 ILE 73 HG22 ILE 73 -8.479 -13.557 6.889 437 3HG2 ILE 73 HG21 ILE 73 -9.323 -14.088 8.344 438 1HD1 ILE 73 HD12 ILE 73 -10.393 -10.417 9.358 439 2HD1 ILE 73 HD11 ILE 73 -9.058 -10.729 10.470 440 3HD1 ILE 73 HD13 ILE 73 -8.933 -9.430 9.283 441 H THR 74 HN THR 74 -9.612 -13.520 5.085 442 HA THR 74 HA THR 74 -6.899 -13.165 4.395 443 HB THR 74 HB THR 74 -7.332 -14.789 2.554 444 HG1 THR 74 HG1 THR 74 -9.936 -14.027 3.173 445 1HG2 THR 74 HG22 THR 74 -8.613 -15.350 5.238 446 2HG2 THR 74 HG21 THR 74 -8.261 -16.594 4.039 447 3HG2 THR 74 HG23 THR 74 -6.944 -15.673 4.766 448 H LEU 75 HN LEU 75 -9.815 -12.263 2.521 449 HA LEU 75 HA LEU 75 -8.293 -11.129 0.356 450 1HB LEU 75 HB2 LEU 75 -10.396 -11.335 -0.478 451 2HB LEU 75 HB1 LEU 75 -11.137 -11.256 1.114 452 HG LEU 75 HG LEU 75 -10.032 -8.771 -0.203 453 1HD1 LEU 75 HD11 LEU 75 -11.945 -10.232 -1.456 454 2HD1 LEU 75 HD13 LEU 75 -12.950 -9.308 -0.339 455 3HD1 LEU 75 HD12 LEU 75 -11.906 -8.467 -1.486 456 1HD2 LEU 75 HD22 LEU 75 -11.413 -9.458 2.248 457 2HD2 LEU 75 HD21 LEU 75 -10.729 -7.906 1.764 458 3HD2 LEU 75 HD23 LEU 75 -12.380 -8.323 1.305 459 H ILE 76 HN ILE 76 -9.801 -9.598 3.241 460 HA ILE 76 HA ILE 76 -9.007 -6.946 2.597 461 HB ILE 76 HB ILE 76 -9.108 -8.180 5.371 462 1HG1 ILE 76 HG12 ILE 76 -11.340 -6.732 3.934 463 2HG1 ILE 76 HG11 ILE 76 -11.168 -8.484 3.854 464 1HG2 ILE 76 HG22 ILE 76 -8.063 -5.887 5.084 465 2HG2 ILE 76 HG21 ILE 76 -9.626 -5.331 4.485 466 3HG2 ILE 76 HG23 ILE 76 -9.476 -5.929 6.138 467 1HD1 ILE 76 HD11 ILE 76 -11.130 -7.109 6.525 468 2HD1 ILE 76 HD13 ILE 76 -12.671 -7.429 5.728 469 3HD1 ILE 76 HD12 ILE 76 -11.594 -8.766 6.134 470 H ILE 77 HN ILE 77 -7.296 -9.475 4.437 471 HA ILE 77 HA ILE 77 -4.900 -8.019 4.925 472 HB ILE 77 HB ILE 77 -5.385 -10.982 4.485 473 1HG1 ILE 77 HG12 ILE 77 -6.462 -10.058 6.478 474 2HG1 ILE 77 HG11 ILE 77 -5.078 -11.038 6.964 475 1HG2 ILE 77 HG21 ILE 77 -2.917 -9.581 4.431 476 2HG2 ILE 77 HG23 ILE 77 -3.007 -10.393 5.995 477 3HG2 ILE 77 HG22 ILE 77 -3.162 -11.326 4.507 478 1HD1 ILE 77 HD12 ILE 77 -3.846 -8.656 6.699 479 2HD1 ILE 77 HD11 ILE 77 -5.462 -8.092 7.122 480 3HD1 ILE 77 HD13 ILE 77 -4.593 -9.174 8.210 481 H PHE 78 HN PHE 78 -5.841 -10.135 2.224 482 HA PHE 78 HA PHE 78 -3.460 -9.957 0.712 483 1HB PHE 78 HB2 PHE 78 -6.342 -10.415 -0.025 484 2HB PHE 78 HB1 PHE 78 -5.116 -10.269 -1.284 485 HD1 PHE 78 HD2 PHE 78 -2.796 -11.590 -0.471 486 HD2 PHE 78 HD1 PHE 78 -6.851 -12.622 0.504 487 HE1 PHE 78 HE2 PHE 78 -2.104 -13.938 -0.077 488 HE2 PHE 78 HE1 PHE 78 -6.157 -14.970 0.898 489 HZ PHE 78 HZ PHE 78 -3.784 -15.628 0.608 490 H GLY 79 HN GLY 79 -6.366 -7.842 0.546 491 1HA GLY 79 HA2 GLY 79 -5.411 -6.173 -1.537 492 2HA GLY 79 HA1 GLY 79 -6.531 -5.642 -0.278 493 H VAL 80 HN VAL 80 -5.003 -5.863 2.003 494 HA VAL 80 HA VAL 80 -3.420 -3.502 1.961 495 HB VAL 80 HB VAL 80 -3.215 -5.854 3.868 496 1HG1 VAL 80 HG13 VAL 80 -1.520 -3.730 3.690 497 2HG1 VAL 80 HG12 VAL 80 -2.753 -3.067 4.763 498 3HG1 VAL 80 HG11 VAL 80 -1.902 -4.548 5.205 499 1HG2 VAL 80 HG21 VAL 80 -5.472 -4.432 3.354 500 2HG2 VAL 80 HG23 VAL 80 -5.082 -5.073 4.950 501 3HG2 VAL 80 HG22 VAL 80 -4.726 -3.390 4.565 502 H MET 81 HN MET 81 -2.447 -6.928 1.840 503 HA MET 81 HA MET 81 0.357 -6.531 1.662 504 1HB MET 81 HB2 MET 81 -1.469 -8.692 0.595 505 2HB MET 81 HB1 MET 81 0.281 -8.758 0.378 506 1HG MET 81 HG2 MET 81 0.131 -8.176 3.034 507 2HG MET 81 HG1 MET 81 -1.330 -9.141 2.830 508 1HE MET 81 HE1 MET 81 2.085 -8.582 1.868 509 2HE MET 81 HE3 MET 81 2.866 -9.735 2.959 510 3HE MET 81 HE2 MET 81 2.725 -10.100 1.242 511 H ALA 82 HN ALA 82 -2.092 -6.760 -0.917 512 HA ALA 82 HA ALA 82 -0.338 -6.469 -3.114 513 1HB ALA 82 HB1 ALA 82 -3.220 -6.271 -2.671 514 2HB ALA 82 HB3 ALA 82 -2.659 -5.120 -3.888 515 3HB ALA 82 HB2 ALA 82 -2.338 -6.840 -4.086 516 H GLY 83 HN GLY 83 -1.999 -3.919 -1.191 517 1HA GLY 83 HA2 GLY 83 -1.041 -1.713 -2.687 518 2HA GLY 83 HA1 GLY 83 -1.428 -1.655 -0.965 519 H VAL 84 HN VAL 84 0.437 -3.397 0.115 520 HA VAL 84 HA VAL 84 2.788 -1.807 0.269 521 HB VAL 84 HB VAL 84 2.462 -4.779 0.795 522 1HG1 VAL 84 HG12 VAL 84 4.754 -2.956 0.954 523 2HG1 VAL 84 HG11 VAL 84 4.421 -3.778 2.479 524 3HG1 VAL 84 HG13 VAL 84 4.715 -4.719 1.016 525 1HG2 VAL 84 HG21 VAL 84 2.084 -2.291 2.465 526 2HG2 VAL 84 HG23 VAL 84 0.969 -3.638 2.235 527 3HG2 VAL 84 HG22 VAL 84 2.422 -3.854 3.210 528 H ILE 85 HN ILE 85 2.162 -4.778 -1.627 529 HA ILE 85 HA ILE 85 4.699 -4.979 -2.866 530 HB ILE 85 HB ILE 85 1.927 -5.739 -3.809 531 1HG1 ILE 85 HG12 ILE 85 4.173 -7.623 -3.169 532 2HG1 ILE 85 HG11 ILE 85 3.300 -6.856 -1.840 533 1HG2 ILE 85 HG23 ILE 85 4.475 -5.672 -5.280 534 2HG2 ILE 85 HG22 ILE 85 3.683 -7.248 -5.297 535 3HG2 ILE 85 HG21 ILE 85 2.827 -5.825 -5.891 536 1HD1 ILE 85 HD13 ILE 85 1.347 -7.733 -3.703 537 2HD1 ILE 85 HD12 ILE 85 2.476 -9.069 -3.481 538 3HD1 ILE 85 HD11 ILE 85 1.654 -8.368 -2.087 539 H GLY 86 HN GLY 86 1.778 -3.226 -3.968 540 1HA GLY 86 HA2 GLY 86 2.840 -2.231 -6.390 541 2HA GLY 86 HA1 GLY 86 1.579 -1.427 -5.455 542 H THR 87 HN THR 87 2.915 -0.780 -3.121 543 HA THR 87 HA THR 87 4.286 1.596 -3.821 544 HB THR 87 HB THR 87 4.609 0.002 -1.261 545 HG1 THR 87 HG1 THR 87 2.439 0.429 -1.692 546 1HG2 THR 87 HG22 THR 87 5.077 2.899 -2.002 547 2HG2 THR 87 HG21 THR 87 4.966 2.339 -0.333 548 3HG2 THR 87 HG23 THR 87 6.256 1.744 -1.380 549 H ILE 88 HN ILE 88 5.619 -1.577 -2.823 550 HA ILE 88 HA ILE 88 8.360 -0.856 -2.971 551 HB ILE 88 HB ILE 88 6.967 -3.490 -3.524 552 1HG1 ILE 88 HG12 ILE 88 8.570 -2.468 -1.156 553 2HG1 ILE 88 HG11 ILE 88 6.811 -2.592 -1.216 554 1HG2 ILE 88 HG23 ILE 88 9.742 -2.677 -3.943 555 2HG2 ILE 88 HG22 ILE 88 9.605 -4.016 -2.803 556 3HG2 ILE 88 HG21 ILE 88 8.927 -4.165 -4.424 557 1HD1 ILE 88 HD12 ILE 88 7.672 -5.116 -2.013 558 2HD1 ILE 88 HD11 ILE 88 8.797 -4.678 -0.727 559 3HD1 ILE 88 HD13 ILE 88 7.061 -4.690 -0.413 560 H LEU 89 HN LEU 89 6.211 -2.190 -5.493 561 HA LEU 89 HA LEU 89 8.120 -2.237 -7.590 562 1HB LEU 89 HB2 LEU 89 6.300 -3.208 -8.515 563 2HB LEU 89 HB1 LEU 89 5.239 -2.501 -7.305 564 HG LEU 89 HG LEU 89 5.257 -0.368 -8.633 565 1HD1 LEU 89 HD13 LEU 89 7.149 -1.997 -10.215 566 2HD1 LEU 89 HD12 LEU 89 5.944 -1.131 -11.169 567 3HD1 LEU 89 HD11 LEU 89 7.012 -0.244 -10.081 568 1HD2 LEU 89 HD23 LEU 89 4.115 -2.964 -9.490 569 2HD2 LEU 89 HD22 LEU 89 3.303 -1.433 -9.160 570 3HD2 LEU 89 HD21 LEU 89 4.093 -1.695 -10.716 571 H LEU 90 HN LEU 90 5.876 0.337 -6.566 572 HA LEU 90 HA LEU 90 6.588 2.272 -8.517 573 1HB LEU 90 HB2 LEU 90 4.688 2.483 -6.887 574 2HB LEU 90 HB1 LEU 90 5.867 2.819 -5.619 575 HG LEU 90 HG LEU 90 4.799 4.857 -6.746 576 1HD1 LEU 90 HD13 LEU 90 7.356 4.409 -5.733 577 2HD1 LEU 90 HD12 LEU 90 7.646 5.253 -7.255 578 3HD1 LEU 90 HD11 LEU 90 6.618 5.984 -6.023 579 1HD2 LEU 90 HD23 LEU 90 5.305 3.598 -9.063 580 2HD2 LEU 90 HD22 LEU 90 5.255 5.357 -8.951 581 3HD2 LEU 90 HD21 LEU 90 6.804 4.516 -8.931 582 H ILE 91 HN ILE 91 8.008 1.680 -5.286 583 HA ILE 91 HA ILE 91 9.935 3.757 -5.363 584 HB ILE 91 HB ILE 91 10.237 0.998 -4.132 585 1HG1 ILE 91 HG12 ILE 91 9.295 3.546 -2.796 586 2HG1 ILE 91 HG11 ILE 91 8.173 2.379 -3.497 587 1HG2 ILE 91 HG21 ILE 91 11.901 3.410 -4.186 588 2HG2 ILE 91 HG23 ILE 91 11.523 2.878 -2.548 589 3HG2 ILE 91 HG22 ILE 91 12.313 1.774 -3.673 590 1HD1 ILE 91 HD12 ILE 91 9.340 0.607 -2.076 591 2HD1 ILE 91 HD11 ILE 91 10.126 1.941 -1.229 592 3HD1 ILE 91 HD13 ILE 91 8.370 1.784 -1.191 593 H SER 92 HN SER 92 10.226 0.367 -6.507 594 HA SER 92 HA SER 92 12.909 0.588 -7.414 595 1HB SER 92 HB2 SER 92 10.753 -1.287 -7.695 596 2HB SER 92 HB1 SER 92 11.459 -1.006 -9.284 597 HG SER 92 HG SER 92 12.540 -2.168 -7.011 598 H TYR 93 HN TYR 93 9.836 1.229 -9.134 599 HA TYR 93 HA TYR 93 10.980 2.056 -11.599 600 1HB TYR 93 HB2 TYR 93 8.396 2.098 -10.367 601 2HB TYR 93 HB1 TYR 93 8.711 3.700 -11.035 602 HD1 TYR 93 HD2 TYR 93 9.900 3.637 -13.448 603 HD2 TYR 93 HD1 TYR 93 7.462 0.513 -11.791 604 HE1 TYR 93 HE2 TYR 93 9.452 2.776 -15.730 605 HE2 TYR 93 HE1 TYR 93 7.014 -0.348 -14.073 606 HH TYR 93 HH TYR 93 7.497 1.366 -16.810 607 H GLY 94 HN GLY 94 10.132 3.996 -8.710 608 1HA GLY 94 HA2 GLY 94 10.973 6.515 -9.697 609 2HA GLY 94 HA1 GLY 94 10.953 6.069 -7.990 610 H ILE 95 HN ILE 95 12.802 4.040 -7.894 611 HA ILE 95 HA ILE 95 15.273 5.430 -7.781 612 HB ILE 95 HB ILE 95 14.535 2.508 -7.782 613 1HG1 ILE 95 HG12 ILE 95 16.222 3.460 -5.642 614 2HG1 ILE 95 HG11 ILE 95 14.859 4.558 -5.850 615 1HG2 ILE 95 HG21 ILE 95 17.342 3.661 -7.814 616 2HG2 ILE 95 HG23 ILE 95 16.953 2.008 -7.338 617 3HG2 ILE 95 HG22 ILE 95 16.648 2.546 -8.990 618 1HD1 ILE 95 HD12 ILE 95 14.352 1.602 -5.869 619 2HD1 ILE 95 HD11 ILE 95 14.616 2.413 -4.325 620 3HD1 ILE 95 HD13 ILE 95 13.285 2.915 -5.369 621 H ARG 96 HN ARG 96 14.045 3.197 -10.293 622 HA ARG 96 HA ARG 96 16.311 3.280 -11.989 623 1HB ARG 96 HB2 ARG 96 13.420 3.169 -12.891 624 2HB ARG 96 HB1 ARG 96 14.827 2.561 -13.763 625 1HG ARG 96 HG2 ARG 96 15.042 1.314 -11.300 626 2HG ARG 96 HG1 ARG 96 13.301 1.314 -11.593 627 1HD ARG 96 HD2 ARG 96 14.850 0.624 -13.981 628 2HD ARG 96 HD1 ARG 96 15.110 -0.503 -12.650 629 HE ARG 96 HE ARG 96 12.356 -0.198 -12.732 630 1HH1 ARG 96 HH11 ARG 96 12.396 0.300 -15.592 631 2HH1 ARG 96 HH12 ARG 96 12.453 -1.285 -16.289 632 1HH2 ARG 96 HH21 ARG 96 13.481 -2.827 -13.359 633 2HH2 ARG 96 HH22 ARG 96 13.064 -3.055 -15.025 634 H ARG 97 HN ARG 97 13.435 5.403 -11.959 635 HA ARG 97 HA ARG 97 14.204 7.059 -14.123 636 1HB ARG 97 HB2 ARG 97 11.985 7.040 -12.786 637 2HB ARG 97 HB1 ARG 97 12.805 8.140 -11.677 638 1HG ARG 97 HG2 ARG 97 13.378 9.561 -13.717 639 2HG ARG 97 HG1 ARG 97 12.242 8.558 -14.619 640 1HD ARG 97 HD2 ARG 97 10.725 9.170 -12.449 641 2HD ARG 97 HD1 ARG 97 11.715 10.626 -12.564 642 HE ARG 97 HE ARG 97 10.847 10.214 -15.162 643 1HH1 ARG 97 HH21 ARG 97 8.366 9.139 -14.826 644 2HH1 ARG 97 HH22 ARG 97 7.333 10.389 -14.218 645 1HH2 ARG 97 HH11 ARG 97 9.946 12.417 -13.182 646 2HH2 ARG 97 HH12 ARG 97 8.225 12.243 -13.287 647 H LEU 98 HN LEU 98 14.905 7.422 -10.644 648 HA LEU 98 HA LEU 98 16.358 9.846 -10.799 649 1HB LEU 98 HB2 LEU 98 16.212 7.559 -8.914 650 2HB LEU 98 HB1 LEU 98 17.677 8.537 -8.817 651 HG LEU 98 HG LEU 98 15.312 10.209 -9.066 652 1HD1 LEU 98 HD11 LEU 98 14.990 7.875 -7.459 653 2HD1 LEU 98 HD13 LEU 98 15.176 9.247 -6.369 654 3HD1 LEU 98 HD12 LEU 98 13.904 9.258 -7.589 655 1HD2 LEU 98 HD22 LEU 98 17.680 9.886 -7.238 656 2HD2 LEU 98 HD21 LEU 98 17.253 11.251 -8.271 657 3HD2 LEU 98 HD23 LEU 98 16.363 10.963 -6.776 658 H ILE 99 HN ILE 99 17.514 6.486 -11.070 659 HA ILE 99 HA ILE 99 20.251 7.284 -11.643 660 HB ILE 99 HB ILE 99 20.550 4.883 -12.193 661 1HG1 ILE 99 HG12 ILE 99 17.558 4.726 -11.709 662 2HG1 ILE 99 HG11 ILE 99 18.322 4.622 -13.295 663 1HG2 ILE 99 HG21 ILE 99 19.928 5.992 -9.729 664 2HG2 ILE 99 HG23 ILE 99 18.848 4.601 -9.822 665 3HG2 ILE 99 HG22 ILE 99 20.590 4.377 -9.983 666 1HD1 ILE 99 HD12 ILE 99 19.734 2.707 -12.245 667 2HD1 ILE 99 HD11 ILE 99 18.484 2.675 -11.001 668 3HD1 ILE 99 HD13 ILE 99 18.061 2.364 -12.684 669 H LYS 100 HN LYS 100 17.406 6.423 -13.555 670 HA LYS 100 HA LYS 100 18.965 6.617 -16.062 671 1HB LYS 100 HB2 LYS 100 16.170 5.756 -15.358 672 2HB LYS 100 HB1 LYS 100 16.547 6.217 -17.019 673 1HG LYS 100 HG2 LYS 100 17.929 4.067 -15.387 674 2HG LYS 100 HG1 LYS 100 16.870 3.816 -16.774 675 1HD LYS 100 HD2 LYS 100 18.817 5.632 -17.667 676 2HD LYS 100 HD1 LYS 100 19.704 4.427 -16.732 677 1HE LYS 100 HE2 LYS 100 19.584 3.594 -18.981 678 2HE LYS 100 HE1 LYS 100 18.442 2.647 -18.027 679 1HZ LYS 100 HZ2 LYS 100 16.973 4.774 -18.845 680 2HZ LYS 100 HZ1 LYS 100 17.947 4.453 -20.199 681 3HZ LYS 100 HZ3 LYS 100 16.958 3.233 -19.561 682 H LYS 101 HN LYS 101 19.290 8.615 -16.884 683 HA LYS 101 HA LYS 101 17.035 10.445 -17.232 684 1HB LYS 101 HB2 LYS 101 19.350 11.199 -15.418 685 2HB LYS 101 HB1 LYS 101 18.155 12.338 -16.038 686 1HG LYS 101 HG2 LYS 101 16.395 10.733 -15.020 687 2HG LYS 101 HG1 LYS 101 17.747 10.059 -14.108 688 1HD LYS 101 HD2 LYS 101 16.889 12.968 -14.118 689 2HD LYS 101 HD1 LYS 101 16.641 11.820 -12.802 690 1HE LYS 101 HE2 LYS 101 18.630 12.567 -12.013 691 2HE LYS 101 HE1 LYS 101 19.346 11.583 -13.289 692 1HZ LYS 101 HZ3 LYS 101 18.483 14.389 -13.698 693 2HZ LYS 101 HZ2 LYS 101 20.063 13.962 -13.241 694 3HZ LYS 101 HZ1 LYS 101 19.434 13.436 -14.729 No H/Q in entry = 694 Start of MODEL 4 1 1H VAL 62 HT2 VAL 62 -27.378 -12.760 2.085 2 2H VAL 62 HT1 VAL 62 -28.557 -12.850 0.864 3 3H VAL 62 HT3 VAL 62 -26.930 -12.598 0.455 4 HA VAL 62 HA VAL 62 -26.951 -10.445 1.543 5 HB VAL 62 HB VAL 62 -29.340 -10.668 -0.300 6 1HG1 VAL 62 HG11 VAL 62 -27.643 -8.531 0.745 7 2HG1 VAL 62 HG13 VAL 62 -27.710 -8.529 -1.018 8 3HG1 VAL 62 HG12 VAL 62 -29.199 -8.423 -0.079 9 1HG2 VAL 62 HG22 VAL 62 -26.379 -10.842 -0.916 10 2HG2 VAL 62 HG21 VAL 62 -27.636 -12.003 -1.344 11 3HG2 VAL 62 HG23 VAL 62 -27.586 -10.426 -2.132 12 H GLN 63 HN GLN 63 -28.293 -8.768 2.563 13 HA GLN 63 HA GLN 63 -30.850 -9.729 3.728 14 1HB GLN 63 HB2 GLN 63 -30.200 -9.228 5.980 15 2HB GLN 63 HB1 GLN 63 -28.914 -10.230 5.309 16 1HG GLN 63 HG2 GLN 63 -27.523 -8.585 6.017 17 2HG GLN 63 HG1 GLN 63 -28.093 -7.700 4.602 18 1HE2 GLN 63 HE22 GLN 63 -29.192 -5.162 6.794 19 2HE2 GLN 63 HE21 GLN 63 -28.216 -5.577 5.471 20 H LEU 64 HN LEU 64 -32.114 -7.920 4.663 21 HA LEU 64 HA LEU 64 -31.243 -5.249 3.639 22 1HB LEU 64 HB2 LEU 64 -33.931 -6.602 3.351 23 2HB LEU 64 HB1 LEU 64 -33.727 -4.859 3.176 24 HG LEU 64 HG LEU 64 -32.042 -6.822 1.618 25 1HD1 LEU 64 HD11 LEU 64 -34.740 -5.634 0.916 26 2HD1 LEU 64 HD13 LEU 64 -33.646 -6.331 -0.278 27 3HD1 LEU 64 HD12 LEU 64 -34.315 -7.343 1.003 28 1HD2 LEU 64 HD23 LEU 64 -32.251 -3.941 1.881 29 2HD2 LEU 64 HD22 LEU 64 -31.044 -4.890 1.013 30 3HD2 LEU 64 HD21 LEU 64 -32.548 -4.433 0.214 31 H ALA 65 HN ALA 65 -30.674 -4.541 5.761 32 HA ALA 65 HA ALA 65 -33.022 -3.982 7.481 33 1HB ALA 65 HB1 ALA 65 -30.720 -5.730 8.172 34 2HB ALA 65 HB3 ALA 65 -31.222 -4.580 9.411 35 3HB ALA 65 HB2 ALA 65 -32.374 -5.758 8.781 36 H HIS 66 HN HIS 66 -31.065 -2.470 5.719 37 HA HIS 66 HA HIS 66 -29.826 -0.475 5.815 38 1HB HIS 66 HB2 HIS 66 -32.130 0.080 6.909 39 2HB HIS 66 HB1 HIS 66 -31.225 0.087 8.422 40 HD1 HIS 66 HD1 HIS 66 -31.720 2.006 5.263 41 HD2 HIS 66 HD2 HIS 66 -29.246 2.171 8.615 42 HE1 HIS 66 HE1 HIS 66 -30.595 4.275 5.212 43 H HIS 67 HN HIS 67 -27.889 -1.827 6.313 44 HA HIS 67 HA HIS 67 -26.611 -0.881 8.773 45 1HB HIS 67 HB2 HIS 67 -27.799 -3.526 8.630 46 2HB HIS 67 HB1 HIS 67 -26.055 -3.636 8.867 47 HD1 HIS 67 HD1 HIS 67 -28.930 -3.573 10.846 48 HD2 HIS 67 HD2 HIS 67 -25.380 -1.392 10.996 49 HE1 HIS 67 HE1 HIS 67 -28.742 -2.671 13.205 50 H PHE 68 HN PHE 68 -26.278 -3.394 6.234 51 HA PHE 68 HA PHE 68 -24.545 -3.730 4.683 52 1HB PHE 68 HB2 PHE 68 -24.432 -0.884 5.326 53 2HB PHE 68 HB1 PHE 68 -22.838 -1.538 4.946 54 HD1 PHE 68 HD1 PHE 68 -22.356 -2.500 2.749 55 HD2 PHE 68 HD2 PHE 68 -26.230 -0.893 3.673 56 HE1 PHE 68 HE1 PHE 68 -22.938 -2.519 0.338 57 HE2 PHE 68 HE2 PHE 68 -26.813 -0.911 1.263 58 HZ PHE 68 HZ PHE 68 -25.167 -1.725 -0.405 59 H SER 69 HN SER 69 -23.074 -1.923 7.409 60 HA SER 69 HA SER 69 -21.484 -2.665 8.986 61 1HB SER 69 HB2 SER 69 -21.460 -5.378 7.683 62 2HB SER 69 HB1 SER 69 -21.192 -4.961 9.374 63 HG SER 69 HG SER 69 -23.282 -5.869 8.949 64 H GLU 70 HN GLU 70 -20.652 -1.296 6.744 65 HA GLU 70 HA GLU 70 -18.754 -0.896 5.421 66 1HB GLU 70 HB2 GLU 70 -17.747 -2.645 7.644 67 2HB GLU 70 HB1 GLU 70 -16.667 -2.224 6.314 68 1HG GLU 70 HG2 GLU 70 -16.825 0.095 6.767 69 2HG GLU 70 HG1 GLU 70 -18.253 -0.116 7.779 70 HA PRO 71 HA PRO 71 -19.590 -4.424 2.702 71 1HB PRO 71 HB2 PRO 71 -18.433 -2.793 0.604 72 2HB PRO 71 HB1 PRO 71 -20.118 -3.292 0.806 73 1HG PRO 71 HG2 PRO 71 -19.045 -0.672 1.214 74 2HG PRO 71 HG1 PRO 71 -20.695 -1.215 1.546 75 1HD PRO 71 HD2 PRO 71 -18.608 -0.577 3.453 76 2HD PRO 71 HD1 PRO 71 -20.291 -1.039 3.778 77 H GLU 72 HN GLU 72 -18.119 -5.862 1.564 78 HA GLU 72 HA GLU 72 -15.531 -6.099 2.707 79 1HB GLU 72 HB2 GLU 72 -16.383 -7.212 0.022 80 2HB GLU 72 HB1 GLU 72 -15.146 -7.856 1.102 81 1HG GLU 72 HG2 GLU 72 -17.355 -7.744 2.747 82 2HG GLU 72 HG1 GLU 72 -18.065 -8.188 1.195 83 H ILE 73 HN ILE 73 -16.093 -5.497 -0.776 84 HA ILE 73 HA ILE 73 -13.617 -4.674 -1.554 85 HB ILE 73 HB ILE 73 -15.797 -4.725 -2.913 86 1HG1 ILE 73 HG12 ILE 73 -14.685 -2.411 -4.048 87 2HG1 ILE 73 HG11 ILE 73 -13.358 -3.199 -3.192 88 1HG2 ILE 73 HG21 ILE 73 -17.011 -3.073 -1.509 89 2HG2 ILE 73 HG23 ILE 73 -15.849 -1.835 -1.986 90 3HG2 ILE 73 HG22 ILE 73 -16.915 -2.557 -3.192 91 1HD1 ILE 73 HD12 ILE 73 -14.777 -5.277 -4.451 92 2HD1 ILE 73 HD11 ILE 73 -14.655 -3.994 -5.656 93 3HD1 ILE 73 HD13 ILE 73 -13.195 -4.646 -4.910 94 H THR 74 HN THR 74 -15.983 -2.530 0.072 95 HA THR 74 HA THR 74 -14.371 -0.188 0.020 96 HB THR 74 HB THR 74 -15.783 -0.189 2.474 97 HG1 THR 74 HG1 THR 74 -16.842 -2.044 1.816 98 1HG2 THR 74 HG22 THR 74 -15.567 1.327 0.148 99 2HG2 THR 74 HG21 THR 74 -17.264 0.848 0.185 100 3HG2 THR 74 HG23 THR 74 -16.563 1.716 1.552 101 H LEU 75 HN LEU 75 -14.597 -2.757 2.501 102 HA LEU 75 HA LEU 75 -12.559 -1.583 4.189 103 1HB LEU 75 HB2 LEU 75 -14.363 -3.507 4.646 104 2HB LEU 75 HB1 LEU 75 -13.006 -4.537 4.194 105 HG LEU 75 HG LEU 75 -13.132 -2.517 6.441 106 1HD1 LEU 75 HD13 LEU 75 -13.443 -5.358 6.234 107 2HD1 LEU 75 HD12 LEU 75 -11.965 -5.026 7.138 108 3HD1 LEU 75 HD11 LEU 75 -13.502 -4.356 7.683 109 1HD2 LEU 75 HD22 LEU 75 -10.743 -3.872 5.166 110 2HD2 LEU 75 HD21 LEU 75 -10.992 -2.146 5.428 111 3HD2 LEU 75 HD23 LEU 75 -10.701 -3.213 6.802 112 H ILE 76 HN ILE 76 -12.469 -4.230 1.773 113 HA ILE 76 HA ILE 76 -9.717 -4.839 2.061 114 HB ILE 76 HB ILE 76 -11.372 -4.879 -0.487 115 1HG1 ILE 76 HG12 ILE 76 -10.842 -7.160 1.421 116 2HG1 ILE 76 HG11 ILE 76 -12.254 -6.117 1.590 117 1HG2 ILE 76 HG22 ILE 76 -8.742 -5.140 -0.465 118 2HG2 ILE 76 HG21 ILE 76 -9.114 -6.747 0.158 119 3HG2 ILE 76 HG23 ILE 76 -9.732 -6.246 -1.416 120 1HD1 ILE 76 HD11 ILE 76 -11.580 -7.481 -1.016 121 2HD1 ILE 76 HD13 ILE 76 -12.569 -8.262 0.217 122 3HD1 ILE 76 HD12 ILE 76 -13.113 -6.759 -0.531 123 H ILE 77 HN ILE 77 -11.318 -2.466 -0.090 124 HA ILE 77 HA ILE 77 -8.949 -1.436 -1.282 125 HB ILE 77 HB ILE 77 -11.568 -0.067 -0.594 126 1HG1 ILE 77 HG12 ILE 77 -10.499 -1.033 -3.261 127 2HG1 ILE 77 HG11 ILE 77 -11.566 -1.998 -2.240 128 1HG2 ILE 77 HG23 ILE 77 -9.079 1.079 -1.397 129 2HG2 ILE 77 HG22 ILE 77 -10.181 1.165 -2.771 130 3HG2 ILE 77 HG21 ILE 77 -10.641 1.881 -1.226 131 1HD1 ILE 77 HD13 ILE 77 -13.074 0.149 -2.252 132 2HD1 ILE 77 HD12 ILE 77 -12.152 0.567 -3.695 133 3HD1 ILE 77 HD11 ILE 77 -13.093 -0.925 -3.650 134 H PHE 78 HN PHE 78 -10.692 -0.429 1.661 135 HA PHE 78 HA PHE 78 -8.978 1.692 2.425 136 1HB PHE 78 HB2 PHE 78 -10.459 -0.242 4.234 137 2HB PHE 78 HB1 PHE 78 -9.855 1.349 4.696 138 HD1 PHE 78 HD2 PHE 78 -10.522 2.566 1.866 139 HD2 PHE 78 HD1 PHE 78 -12.788 0.349 4.764 140 HE1 PHE 78 HE2 PHE 78 -12.611 3.601 1.024 141 HE2 PHE 78 HE1 PHE 78 -14.877 1.384 3.921 142 HZ PHE 78 HZ PHE 78 -14.789 3.009 2.051 143 H GLY 79 HN GLY 79 -8.814 -1.777 3.291 144 1HA GLY 79 HA2 GLY 79 -6.522 -1.615 4.946 145 2HA GLY 79 HA1 GLY 79 -6.979 -3.048 4.021 146 H VAL 80 HN VAL 80 -6.747 -2.154 1.418 147 HA VAL 80 HA VAL 80 -3.974 -2.384 0.935 148 HB VAL 80 HB VAL 80 -6.149 -1.235 -0.826 149 1HG1 VAL 80 HG11 VAL 80 -3.604 -0.736 -1.314 150 2HG1 VAL 80 HG13 VAL 80 -3.583 -2.419 -1.839 151 3HG1 VAL 80 HG12 VAL 80 -4.663 -1.265 -2.621 152 1HG2 VAL 80 HG23 VAL 80 -5.574 -3.883 0.090 153 2HG2 VAL 80 HG22 VAL 80 -6.774 -3.388 -1.103 154 3HG2 VAL 80 HG21 VAL 80 -5.141 -3.807 -1.618 155 H MET 81 HN MET 81 -6.000 0.576 0.919 156 HA MET 81 HA MET 81 -3.891 2.386 0.304 157 1HB MET 81 HB2 MET 81 -6.399 2.729 1.971 158 2HB MET 81 HB1 MET 81 -5.316 4.066 1.581 159 1HG MET 81 HG2 MET 81 -6.140 2.380 -0.714 160 2HG MET 81 HG1 MET 81 -7.420 3.346 0.020 161 1HE MET 81 HE3 MET 81 -8.042 4.784 -1.510 162 2HE MET 81 HE2 MET 81 -7.633 6.030 -0.333 163 3HE MET 81 HE1 MET 81 -7.208 6.256 -2.028 164 H ALA 82 HN ALA 82 -5.109 1.241 3.443 165 HA ALA 82 HA ALA 82 -3.295 2.658 5.092 166 1HB ALA 82 HB2 ALA 82 -5.159 0.432 5.419 167 2HB ALA 82 HB1 ALA 82 -3.717 0.245 6.423 168 3HB ALA 82 HB3 ALA 82 -4.706 1.697 6.559 169 H GLY 83 HN GLY 83 -2.958 -0.602 3.626 170 1HA GLY 83 HA2 GLY 83 -0.470 -1.252 4.791 171 2HA GLY 83 HA1 GLY 83 -1.022 -1.853 3.226 172 H VAL 84 HN VAL 84 -1.122 0.476 1.706 173 HA VAL 84 HA VAL 84 1.594 0.831 0.970 174 HB VAL 84 HB VAL 84 -0.759 2.696 0.535 175 1HG1 VAL 84 HG11 VAL 84 1.663 3.603 0.269 176 2HG1 VAL 84 HG13 VAL 84 1.739 2.553 -1.146 177 3HG1 VAL 84 HG12 VAL 84 0.537 3.839 -1.067 178 1HG2 VAL 84 HG21 VAL 84 0.225 0.205 -0.748 179 2HG2 VAL 84 HG23 VAL 84 -1.409 0.866 -0.679 180 3HG2 VAL 84 HG22 VAL 84 -0.251 1.498 -1.849 181 H ILE 85 HN ILE 85 -0.507 2.962 2.957 182 HA ILE 85 HA ILE 85 1.454 4.945 3.495 183 HB ILE 85 HB ILE 85 -0.889 3.935 5.126 184 1HG1 ILE 85 HG12 ILE 85 -0.720 6.685 4.007 185 2HG1 ILE 85 HG11 ILE 85 -0.878 5.378 2.833 186 1HG2 ILE 85 HG21 ILE 85 0.968 6.272 5.665 187 2HG2 ILE 85 HG23 ILE 85 -0.585 6.034 6.466 188 3HG2 ILE 85 HG22 ILE 85 0.716 4.865 6.698 189 1HD1 ILE 85 HD11 ILE 85 -2.715 4.655 4.756 190 2HD1 ILE 85 HD13 ILE 85 -2.848 6.414 4.755 191 3HD1 ILE 85 HD12 ILE 85 -3.101 5.509 3.262 192 H GLY 86 HN GLY 86 0.658 1.982 5.330 193 1HA GLY 86 HA2 GLY 86 2.561 2.294 7.400 194 2HA GLY 86 HA1 GLY 86 1.945 0.740 6.837 195 H THR 87 HN THR 87 2.902 0.638 4.251 196 HA THR 87 HA THR 87 5.560 -0.257 4.597 197 HB THR 87 HB THR 87 4.134 0.655 2.083 198 HG1 THR 87 HG1 THR 87 3.158 -1.115 2.938 199 1HG2 THR 87 HG21 THR 87 6.888 0.129 2.467 200 2HG2 THR 87 HG23 THR 87 6.217 -1.289 1.660 201 3HG2 THR 87 HG22 THR 87 6.034 0.308 0.935 202 H ILE 88 HN ILE 88 4.395 2.840 3.227 203 HA ILE 88 HA ILE 88 6.940 3.921 2.625 204 HB ILE 88 HB ILE 88 4.346 5.237 3.453 205 1HG1 ILE 88 HG12 ILE 88 5.826 4.888 0.828 206 2HG1 ILE 88 HG11 ILE 88 4.290 4.149 1.284 207 1HG2 ILE 88 HG23 ILE 88 6.991 6.470 2.654 208 2HG2 ILE 88 HG22 ILE 88 5.460 7.333 2.505 209 3HG2 ILE 88 HG21 ILE 88 6.029 6.814 4.091 210 1HD1 ILE 88 HD12 ILE 88 4.134 7.007 1.640 211 2HD1 ILE 88 HD11 ILE 88 4.675 6.640 0.002 212 3HD1 ILE 88 HD13 ILE 88 3.159 5.969 0.600 213 H LEU 89 HN LEU 89 5.044 4.193 5.664 214 HA LEU 89 HA LEU 89 6.932 5.788 7.052 215 1HB LEU 89 HB2 LEU 89 5.232 5.671 8.526 216 2HB LEU 89 HB1 LEU 89 4.544 4.292 7.678 217 HG LEU 89 HG LEU 89 6.171 2.819 8.923 218 1HD1 LEU 89 HD11 LEU 89 7.580 5.012 9.451 219 2HD1 LEU 89 HD13 LEU 89 6.540 5.059 10.875 220 3HD1 LEU 89 HD12 LEU 89 7.565 3.655 10.577 221 1HD2 LEU 89 HD22 LEU 89 3.717 3.617 9.637 222 2HD2 LEU 89 HD21 LEU 89 4.687 2.576 10.679 223 3HD2 LEU 89 HD23 LEU 89 4.612 4.311 10.990 224 H LEU 90 HN LEU 90 6.661 2.223 6.889 225 HA LEU 90 HA LEU 90 8.896 1.626 8.548 226 1HB LEU 90 HB2 LEU 90 7.268 -0.072 7.707 227 2HB LEU 90 HB1 LEU 90 7.972 0.089 6.098 228 HG LEU 90 HG LEU 90 10.033 -0.333 8.105 229 1HD1 LEU 90 HD11 LEU 90 7.894 -2.468 7.816 230 2HD1 LEU 90 HD13 LEU 90 9.441 -2.674 8.637 231 3HD1 LEU 90 HD12 LEU 90 8.244 -1.554 9.284 232 1HD2 LEU 90 HD21 LEU 90 10.109 -0.635 5.570 233 2HD2 LEU 90 HD23 LEU 90 10.789 -1.959 6.514 234 3HD2 LEU 90 HD22 LEU 90 9.181 -2.115 5.809 235 H ILE 91 HN ILE 91 8.727 2.112 5.024 236 HA ILE 91 HA ILE 91 11.472 1.715 4.448 237 HB ILE 91 HB ILE 91 9.387 3.476 3.139 238 1HG1 ILE 91 HG12 ILE 91 10.659 0.897 2.189 239 2HG1 ILE 91 HG11 ILE 91 9.176 0.934 3.143 240 1HG2 ILE 91 HG22 ILE 91 12.259 2.914 2.386 241 2HG2 ILE 91 HG21 ILE 91 11.055 3.371 1.181 242 3HG2 ILE 91 HG23 ILE 91 11.446 4.475 2.499 243 1HD1 ILE 91 HD12 ILE 91 8.385 2.660 1.324 244 2HD1 ILE 91 HD11 ILE 91 9.651 1.916 0.347 245 3HD1 ILE 91 HD13 ILE 91 8.327 0.934 0.971 246 H SER 92 HN SER 92 9.761 4.742 5.302 247 HA SER 92 HA SER 92 12.007 6.448 5.092 248 1HB SER 92 HB2 SER 92 10.481 7.290 7.341 249 2HB SER 92 HB1 SER 92 10.420 7.921 5.698 250 HG SER 92 HG SER 92 8.396 7.152 6.214 251 H TYR 93 HN TYR 93 10.839 4.597 7.942 252 HA TYR 93 HA TYR 93 12.902 5.431 9.710 253 1HB TYR 93 HB2 TYR 93 10.855 4.064 10.320 254 2HB TYR 93 HB1 TYR 93 11.682 2.659 9.647 255 HD1 TYR 93 HD1 TYR 93 11.808 5.255 12.290 256 HD2 TYR 93 HD2 TYR 93 13.518 1.608 10.799 257 HE1 TYR 93 HE1 TYR 93 13.060 4.974 14.412 258 HE2 TYR 93 HE2 TYR 93 14.770 1.327 12.922 259 HH TYR 93 HH TYR 93 14.311 2.231 15.457 260 H GLY 94 HN GLY 94 12.803 2.607 7.506 261 1HA GLY 94 HA2 GLY 94 15.372 1.587 8.123 262 2HA GLY 94 HA1 GLY 94 14.558 1.366 6.573 263 H ILE 95 HN ILE 95 14.402 3.930 5.614 264 HA ILE 95 HA ILE 95 16.984 4.366 4.520 265 HB ILE 95 HB ILE 95 14.458 5.987 4.652 266 1HG1 ILE 95 HG12 ILE 95 14.432 5.632 2.313 267 2HG1 ILE 95 HG11 ILE 95 16.163 5.309 2.255 268 1HG2 ILE 95 HG22 ILE 95 17.199 7.020 3.959 269 2HG2 ILE 95 HG21 ILE 95 15.779 7.646 3.121 270 3HG2 ILE 95 HG23 ILE 95 15.914 7.812 4.872 271 1HD1 ILE 95 HD13 ILE 95 14.304 3.511 3.804 272 2HD1 ILE 95 HD12 ILE 95 14.558 3.285 2.075 273 3HD1 ILE 95 HD11 ILE 95 15.917 3.156 3.190 274 H ARG 96 HN ARG 96 15.346 6.068 7.200 275 HA ARG 96 HA ARG 96 17.404 7.926 7.779 276 1HB ARG 96 HB2 ARG 96 15.431 6.542 9.618 277 2HB ARG 96 HB1 ARG 96 16.458 7.886 10.116 278 1HG ARG 96 HG2 ARG 96 15.449 9.035 7.955 279 2HG ARG 96 HG1 ARG 96 14.146 7.874 8.212 280 1HD ARG 96 HD2 ARG 96 15.127 9.422 10.573 281 2HD ARG 96 HD1 ARG 96 14.117 10.262 9.395 282 HE ARG 96 HE ARG 96 12.725 7.924 9.894 283 1HH1 ARG 96 HH11 ARG 96 13.506 10.883 11.390 284 2HH1 ARG 96 HH12 ARG 96 12.590 10.574 12.827 285 1HH2 ARG 96 HH21 ARG 96 11.780 7.322 11.931 286 2HH2 ARG 96 HH22 ARG 96 11.613 8.558 13.133 287 H ARG 97 HN ARG 97 16.898 4.638 9.061 288 HA ARG 97 HA ARG 97 19.134 4.581 10.794 289 1HB ARG 97 HB2 ARG 97 17.490 2.515 9.410 290 2HB ARG 97 HB1 ARG 97 19.055 2.001 10.037 291 1HG ARG 97 HG2 ARG 97 18.090 3.491 12.130 292 2HG ARG 97 HG1 ARG 97 16.612 2.767 11.497 293 1HD ARG 97 HD2 ARG 97 17.175 0.904 12.638 294 2HD ARG 97 HD1 ARG 97 18.454 0.676 11.446 295 HE ARG 97 HE ARG 97 19.062 1.036 14.076 296 1HH1 ARG 97 HH21 ARG 97 19.075 3.850 14.210 297 2HH1 ARG 97 HH22 ARG 97 20.589 4.343 13.526 298 1HH2 ARG 97 HH11 ARG 97 21.155 1.317 11.929 299 2HH2 ARG 97 HH12 ARG 97 21.765 2.909 12.235 300 H LEU 98 HN LEU 98 18.948 3.629 7.351 301 HA LEU 98 HA LEU 98 21.639 2.796 7.085 302 1HB LEU 98 HB2 LEU 98 20.748 2.321 5.063 303 2HB LEU 98 HB1 LEU 98 19.415 3.437 5.333 304 HG LEU 98 HG LEU 98 20.961 5.315 4.658 305 1HD1 LEU 98 HD12 LEU 98 23.016 3.779 5.116 306 2HD1 LEU 98 HD11 LEU 98 22.720 3.163 3.490 307 3HD1 LEU 98 HD13 LEU 98 23.081 4.872 3.734 308 1HD2 LEU 98 HD22 LEU 98 19.689 3.302 3.032 309 2HD2 LEU 98 HD21 LEU 98 19.866 5.027 2.707 310 3HD2 LEU 98 HD23 LEU 98 21.126 3.900 2.203 311 H ILE 99 HN ILE 99 20.207 6.036 6.643 312 HA ILE 99 HA ILE 99 22.783 7.286 6.133 313 HB ILE 99 HB ILE 99 21.498 9.407 6.414 314 1HG1 ILE 99 HG12 ILE 99 19.144 7.570 6.941 315 2HG1 ILE 99 HG11 ILE 99 19.991 8.449 8.211 316 1HG2 ILE 99 HG23 ILE 99 20.509 7.174 4.659 317 2HG2 ILE 99 HG22 ILE 99 19.695 8.738 4.624 318 3HG2 ILE 99 HG21 ILE 99 21.406 8.624 4.210 319 1HD1 ILE 99 HD13 ILE 99 19.532 10.575 6.896 320 2HD1 ILE 99 HD12 ILE 99 18.467 9.615 5.869 321 3HD1 ILE 99 HD11 ILE 99 18.105 9.800 7.585 322 H LYS 100 HN LYS 100 20.708 6.814 8.950 323 HA LYS 100 HA LYS 100 22.098 8.548 10.745 324 1HB LYS 100 HB2 LYS 100 19.904 7.657 11.316 325 2HB LYS 100 HB1 LYS 100 20.532 6.007 11.285 326 1HG LYS 100 HG2 LYS 100 21.176 6.192 13.429 327 2HG LYS 100 HG1 LYS 100 22.192 7.575 13.016 328 1HD LYS 100 HD2 LYS 100 19.281 8.122 13.167 329 2HD LYS 100 HD1 LYS 100 20.068 7.740 14.700 330 1HE LYS 100 HE2 LYS 100 21.883 9.448 13.901 331 2HE LYS 100 HE1 LYS 100 20.618 10.017 12.813 332 1HZ LYS 100 HZ2 LYS 100 19.828 9.602 15.575 333 2HZ LYS 100 HZ1 LYS 100 20.905 10.888 15.304 334 3HZ LYS 100 HZ3 LYS 100 19.412 10.850 14.500 335 H LYS 101 HN LYS 101 23.980 8.275 11.880 336 HA LYS 101 HA LYS 101 25.946 7.255 12.671 337 1HB LYS 101 HB2 LYS 101 23.953 5.225 12.787 338 2HB LYS 101 HB1 LYS 101 25.409 4.490 12.115 339 1HG LYS 101 HG2 LYS 101 26.347 4.458 14.159 340 2HG LYS 101 HG1 LYS 101 26.193 6.214 14.258 341 1HD LYS 101 HD2 LYS 101 23.817 5.905 15.004 342 2HD LYS 101 HD1 LYS 101 24.104 4.166 15.049 343 1HE LYS 101 HE2 LYS 101 24.498 4.860 17.273 344 2HE LYS 101 HE1 LYS 101 26.113 4.736 16.577 345 1HZ LYS 101 HZ2 LYS 101 24.958 7.298 16.114 346 2HZ LYS 101 HZ1 LYS 101 25.020 6.943 17.775 347 3HZ LYS 101 HZ3 LYS 101 26.438 6.900 16.846 348 1H VAL 62 HT2 VAL 62 -23.654 -24.892 1.063 349 2H VAL 62 HT1 VAL 62 -25.055 -25.157 0.139 350 3H VAL 62 HT3 VAL 62 -24.171 -23.723 -0.058 351 HA VAL 62 HA VAL 62 -25.688 -22.848 1.318 352 HB VAL 62 HB VAL 62 -26.099 -25.683 2.309 353 1HG1 VAL 62 HG12 VAL 62 -27.073 -23.050 3.291 354 2HG1 VAL 62 HG11 VAL 62 -28.276 -24.334 3.167 355 3HG1 VAL 62 HG13 VAL 62 -26.842 -24.563 4.168 356 1HG2 VAL 62 HG22 VAL 62 -27.425 -23.883 0.316 357 2HG2 VAL 62 HG21 VAL 62 -27.116 -25.617 0.224 358 3HG2 VAL 62 HG23 VAL 62 -28.432 -25.007 1.228 359 H GLN 63 HN GLN 63 -24.940 -25.281 3.726 360 HA GLN 63 HA GLN 63 -23.690 -25.144 5.700 361 1HB GLN 63 HB2 GLN 63 -21.660 -25.073 4.548 362 2HB GLN 63 HB1 GLN 63 -22.066 -23.577 3.714 363 1HG GLN 63 HG2 GLN 63 -21.844 -22.357 5.894 364 2HG GLN 63 HG1 GLN 63 -21.299 -23.861 6.639 365 1HE2 GLN 63 HE22 GLN 63 -18.028 -23.620 5.337 366 2HE2 GLN 63 HE21 GLN 63 -19.122 -24.506 6.286 367 H LEU 64 HN LEU 64 -23.040 -23.508 7.439 368 HA LEU 64 HA LEU 64 -23.741 -20.773 7.349 369 1HB LEU 64 HB2 LEU 64 -26.032 -22.329 7.144 370 2HB LEU 64 HB1 LEU 64 -25.965 -21.928 8.861 371 HG LEU 64 HG LEU 64 -25.357 -19.512 7.835 372 1HD1 LEU 64 HD11 LEU 64 -27.156 -20.854 5.793 373 2HD1 LEU 64 HD13 LEU 64 -26.830 -19.122 5.867 374 3HD1 LEU 64 HD12 LEU 64 -25.523 -20.251 5.506 375 1HD2 LEU 64 HD22 LEU 64 -27.993 -20.838 8.425 376 2HD2 LEU 64 HD21 LEU 64 -27.123 -19.631 9.371 377 3HD2 LEU 64 HD23 LEU 64 -27.957 -19.158 7.891 378 H ALA 65 HN ALA 65 -23.515 -23.744 9.212 379 HA ALA 65 HA ALA 65 -22.866 -22.135 11.640 380 1HB ALA 65 HB2 ALA 65 -24.531 -24.299 11.392 381 2HB ALA 65 HB1 ALA 65 -23.027 -25.071 11.894 382 3HB ALA 65 HB3 ALA 65 -23.751 -23.813 12.896 383 H HIS 66 HN HIS 66 -20.983 -22.350 9.472 384 HA HIS 66 HA HIS 66 -18.732 -23.505 10.972 385 1HB HIS 66 HB2 HIS 66 -19.544 -24.525 8.234 386 2HB HIS 66 HB1 HIS 66 -17.979 -24.847 8.984 387 HD1 HIS 66 HD1 HIS 66 -21.625 -25.697 9.249 388 HD2 HIS 66 HD2 HIS 66 -18.058 -26.668 11.178 389 HE1 HIS 66 HE1 HIS 66 -22.136 -27.675 10.745 390 H HIS 67 HN HIS 67 -18.768 -20.947 10.751 391 HA HIS 67 HA HIS 67 -17.487 -20.131 8.189 392 1HB HIS 67 HB2 HIS 67 -17.896 -17.825 8.961 393 2HB HIS 67 HB1 HIS 67 -19.389 -18.763 8.982 394 HD1 HIS 67 HD1 HIS 67 -20.213 -19.625 11.356 395 HD2 HIS 67 HD2 HIS 67 -17.047 -16.916 11.476 396 HE1 HIS 67 HE1 HIS 67 -20.049 -18.821 13.752 397 H PHE 68 HN PHE 68 -15.578 -21.473 9.102 398 HA PHE 68 HA PHE 68 -14.085 -20.467 11.344 399 1HB PHE 68 HB2 PHE 68 -12.995 -21.973 8.949 400 2HB PHE 68 HB1 PHE 68 -12.300 -21.900 10.568 401 HD1 PHE 68 HD2 PHE 68 -13.981 -22.617 12.517 402 HD2 PHE 68 HD1 PHE 68 -14.315 -23.818 8.407 403 HE1 PHE 68 HE2 PHE 68 -15.357 -24.565 13.197 404 HE2 PHE 68 HE1 PHE 68 -15.691 -25.766 9.087 405 HZ PHE 68 HZ PHE 68 -16.212 -26.139 11.483 406 H SER 69 HN SER 69 -13.909 -18.170 11.049 407 HA SER 69 HA SER 69 -12.617 -16.294 10.429 408 1HB SER 69 HB2 SER 69 -11.017 -18.480 9.649 409 2HB SER 69 HB1 SER 69 -11.097 -17.426 8.241 410 HG SER 69 HG SER 69 -9.831 -16.108 9.259 411 H GLU 70 HN GLU 70 -14.012 -14.950 9.373 412 HA GLU 70 HA GLU 70 -15.441 -15.658 6.989 413 1HB GLU 70 HB2 GLU 70 -16.010 -13.239 6.889 414 2HB GLU 70 HB1 GLU 70 -16.251 -13.906 8.504 415 1HG GLU 70 HG2 GLU 70 -13.904 -13.100 9.060 416 2HG GLU 70 HG1 GLU 70 -13.934 -12.219 7.532 417 HA PRO 71 HA PRO 71 -12.408 -15.072 3.876 418 1HB PRO 71 HB2 PRO 71 -14.295 -14.025 1.982 419 2HB PRO 71 HB1 PRO 71 -13.673 -15.678 2.092 420 1HG PRO 71 HG2 PRO 71 -16.318 -14.743 2.770 421 2HG PRO 71 HG1 PRO 71 -15.693 -16.395 2.862 422 1HD PRO 71 HD2 PRO 71 -16.263 -14.598 5.045 423 2HD PRO 71 HD1 PRO 71 -15.634 -16.256 5.133 424 H GLU 72 HN GLU 72 -14.562 -12.502 4.859 425 HA GLU 72 HA GLU 72 -13.684 -10.311 3.374 426 1HB GLU 72 HB2 GLU 72 -14.162 -10.301 6.369 427 2HB GLU 72 HB1 GLU 72 -14.286 -8.920 5.279 428 1HG GLU 72 HG2 GLU 72 -15.991 -10.522 4.011 429 2HG GLU 72 HG1 GLU 72 -16.138 -11.243 5.615 430 H ILE 73 HN ILE 73 -12.380 -10.813 6.662 431 HA ILE 73 HA ILE 73 -10.106 -9.261 6.417 432 HB ILE 73 HB ILE 73 -10.990 -10.600 8.450 433 1HG1 ILE 73 HG12 ILE 73 -8.270 -10.959 8.927 434 2HG1 ILE 73 HG11 ILE 73 -8.330 -9.698 7.695 435 1HG2 ILE 73 HG21 ILE 73 -10.669 -12.812 7.169 436 2HG2 ILE 73 HG23 ILE 73 -8.947 -12.615 7.498 437 3HG2 ILE 73 HG22 ILE 73 -10.089 -12.765 8.834 438 1HD1 ILE 73 HD11 ILE 73 -10.389 -9.265 9.681 439 2HD1 ILE 73 HD13 ILE 73 -8.805 -9.379 10.449 440 3HD1 ILE 73 HD12 ILE 73 -9.085 -8.187 9.181 441 H THR 74 HN THR 74 -10.641 -12.476 5.098 442 HA THR 74 HA THR 74 -7.913 -13.096 4.474 443 HB THR 74 HB THR 74 -10.105 -14.001 2.656 444 HG1 THR 74 HG1 THR 74 -9.994 -14.338 5.424 445 1HG2 THR 74 HG22 THR 74 -7.474 -14.776 3.301 446 2HG2 THR 74 HG21 THR 74 -8.520 -16.024 3.976 447 3HG2 THR 74 HG23 THR 74 -8.610 -15.633 2.259 448 H LEU 75 HN LEU 75 -10.484 -11.550 2.532 449 HA LEU 75 HA LEU 75 -8.697 -11.095 0.283 450 1HB LEU 75 HB2 LEU 75 -11.370 -11.156 0.431 451 2HB LEU 75 HB1 LEU 75 -11.141 -9.418 0.639 452 HG LEU 75 HG LEU 75 -10.210 -11.140 -1.671 453 1HD1 LEU 75 HD11 LEU 75 -12.483 -9.475 -1.181 454 2HD1 LEU 75 HD13 LEU 75 -11.489 -8.694 -2.410 455 3HD1 LEU 75 HD12 LEU 75 -12.066 -10.342 -2.658 456 1HD2 LEU 75 HD23 LEU 75 -9.470 -8.294 -0.926 457 2HD2 LEU 75 HD22 LEU 75 -8.373 -9.658 -1.149 458 3HD2 LEU 75 HD21 LEU 75 -9.224 -8.975 -2.535 459 H ILE 76 HN ILE 76 -10.022 -8.985 2.867 460 HA ILE 76 HA ILE 76 -8.778 -6.602 1.982 461 HB ILE 76 HB ILE 76 -9.262 -7.474 4.849 462 1HG1 ILE 76 HG12 ILE 76 -11.040 -5.782 3.081 463 2HG1 ILE 76 HG11 ILE 76 -11.227 -7.532 3.198 464 1HG2 ILE 76 HG23 ILE 76 -7.773 -5.383 4.165 465 2HG2 ILE 76 HG22 ILE 76 -9.347 -4.642 3.878 466 3HG2 ILE 76 HG21 ILE 76 -8.944 -5.267 5.478 467 1HD1 ILE 76 HD13 ILE 76 -11.236 -5.672 5.583 468 2HD1 ILE 76 HD12 ILE 76 -12.696 -6.255 4.784 469 3HD1 ILE 76 HD11 ILE 76 -11.614 -7.393 5.582 470 H ILE 77 HN ILE 77 -7.485 -9.095 4.239 471 HA ILE 77 HA ILE 77 -4.961 -7.831 4.645 472 HB ILE 77 HB ILE 77 -5.682 -9.788 5.966 473 1HG1 ILE 77 HG12 ILE 77 -3.316 -10.954 4.659 474 2HG1 ILE 77 HG11 ILE 77 -3.135 -9.244 5.056 475 1HG2 ILE 77 HG21 ILE 77 -6.701 -10.910 3.907 476 2HG2 ILE 77 HG23 ILE 77 -5.074 -11.471 3.537 477 3HG2 ILE 77 HG22 ILE 77 -5.860 -11.964 5.039 478 1HD1 ILE 77 HD12 ILE 77 -4.410 -10.602 7.252 479 2HD1 ILE 77 HD11 ILE 77 -2.926 -11.453 6.819 480 3HD1 ILE 77 HD13 ILE 77 -2.871 -9.739 7.234 481 H PHE 78 HN PHE 78 -6.016 -10.209 2.208 482 HA PHE 78 HA PHE 78 -3.565 -10.416 0.794 483 1HB PHE 78 HB2 PHE 78 -6.403 -10.557 -0.271 484 2HB PHE 78 HB1 PHE 78 -4.970 -11.093 -1.147 485 HD1 PHE 78 HD2 PHE 78 -3.663 -12.012 1.660 486 HD2 PHE 78 HD1 PHE 78 -7.309 -12.884 -0.441 487 HE1 PHE 78 HE2 PHE 78 -3.790 -14.209 2.794 488 HE2 PHE 78 HE1 PHE 78 -7.434 -15.084 0.696 489 HZ PHE 78 HZ PHE 78 -5.674 -15.747 2.313 490 H GLY 79 HN GLY 79 -6.284 -8.142 0.272 491 1HA GLY 79 HA2 GLY 79 -5.161 -6.772 -1.940 492 2HA GLY 79 HA1 GLY 79 -6.286 -6.045 -0.789 493 H VAL 80 HN VAL 80 -4.840 -6.116 1.560 494 HA VAL 80 HA VAL 80 -3.165 -3.851 1.332 495 HB VAL 80 HB VAL 80 -3.227 -5.992 3.470 496 1HG1 VAL 80 HG12 VAL 80 -1.401 -3.830 3.063 497 2HG1 VAL 80 HG11 VAL 80 -2.429 -3.422 4.436 498 3HG1 VAL 80 HG13 VAL 80 -1.503 -4.924 4.443 499 1HG2 VAL 80 HG21 VAL 80 -5.113 -4.017 2.707 500 2HG2 VAL 80 HG23 VAL 80 -5.121 -4.980 4.184 501 3HG2 VAL 80 HG22 VAL 80 -4.333 -3.404 4.164 502 H MET 81 HN MET 81 -2.244 -7.304 1.576 503 HA MET 81 HA MET 81 0.567 -6.887 1.447 504 1HB MET 81 HB2 MET 81 -1.053 -9.183 0.294 505 2HB MET 81 HB1 MET 81 0.685 -9.207 0.599 506 1HG MET 81 HG2 MET 81 0.423 -9.318 2.890 507 2HG MET 81 HG1 MET 81 -1.112 -8.450 2.862 508 1HE MET 81 HE2 MET 81 0.102 -10.760 4.265 509 2HE MET 81 HE1 MET 81 -1.308 -11.767 4.589 510 3HE MET 81 HE3 MET 81 -0.011 -12.363 3.542 511 H ALA 82 HN ALA 82 -1.804 -7.414 -1.161 512 HA ALA 82 HA ALA 82 0.002 -7.250 -3.337 513 1HB ALA 82 HB2 ALA 82 -2.888 -7.187 -2.982 514 2HB ALA 82 HB1 ALA 82 -2.373 -6.089 -4.266 515 3HB ALA 82 HB3 ALA 82 -1.939 -7.795 -4.335 516 H GLY 83 HN GLY 83 -1.841 -4.635 -1.710 517 1HA GLY 83 HA2 GLY 83 -0.985 -2.515 -3.372 518 2HA GLY 83 HA1 GLY 83 -1.431 -2.333 -1.675 519 H VAL 84 HN VAL 84 0.526 -3.821 -0.401 520 HA VAL 84 HA VAL 84 2.702 -2.016 -0.292 521 HB VAL 84 HB VAL 84 2.613 -4.950 0.468 522 1HG1 VAL 84 HG13 VAL 84 4.737 -2.922 0.556 523 2HG1 VAL 84 HG12 VAL 84 4.425 -3.678 2.119 524 3HG1 VAL 84 HG11 VAL 84 4.849 -4.674 0.727 525 1HG2 VAL 84 HG22 VAL 84 1.713 -2.411 1.721 526 2HG2 VAL 84 HG21 VAL 84 1.094 -4.049 1.931 527 3HG2 VAL 84 HG23 VAL 84 2.552 -3.540 2.783 528 H ILE 85 HN ILE 85 2.501 -5.183 -1.993 529 HA ILE 85 HA ILE 85 5.135 -5.135 -3.051 530 HB ILE 85 HB ILE 85 2.614 -6.237 -4.331 531 1HG1 ILE 85 HG12 ILE 85 3.000 -7.165 -2.100 532 2HG1 ILE 85 HG11 ILE 85 3.403 -8.378 -3.314 533 1HG2 ILE 85 HG23 ILE 85 5.011 -5.894 -5.563 534 2HG2 ILE 85 HG22 ILE 85 5.274 -7.463 -4.802 535 3HG2 ILE 85 HG21 ILE 85 3.926 -7.238 -5.916 536 1HD1 ILE 85 HD12 ILE 85 5.800 -7.690 -3.143 537 2HD1 ILE 85 HD11 ILE 85 5.357 -6.592 -1.837 538 3HD1 ILE 85 HD13 ILE 85 5.162 -8.332 -1.629 539 H GLY 86 HN GLY 86 2.104 -3.858 -4.468 540 1HA GLY 86 HA2 GLY 86 3.230 -2.829 -6.858 541 2HA GLY 86 HA1 GLY 86 1.786 -2.182 -6.076 542 H THR 87 HN THR 87 2.780 -1.277 -3.684 543 HA THR 87 HA THR 87 3.846 1.261 -4.328 544 HB THR 87 HB THR 87 4.038 -0.262 -1.711 545 HG1 THR 87 HG1 THR 87 1.929 -0.011 -2.202 546 1HG2 THR 87 HG23 THR 87 5.586 1.709 -1.950 547 2HG2 THR 87 HG22 THR 87 4.167 2.722 -2.213 548 3HG2 THR 87 HG21 THR 87 4.386 1.891 -0.672 549 H ILE 88 HN ILE 88 5.526 -1.645 -3.089 550 HA ILE 88 HA ILE 88 8.113 -0.513 -2.924 551 HB ILE 88 HB ILE 88 7.211 -3.331 -3.566 552 1HG1 ILE 88 HG12 ILE 88 8.335 -2.010 -1.074 553 2HG1 ILE 88 HG11 ILE 88 6.658 -2.503 -1.318 554 1HG2 ILE 88 HG23 ILE 88 9.919 -2.108 -3.503 555 2HG2 ILE 88 HG22 ILE 88 9.736 -3.639 -2.647 556 3HG2 ILE 88 HG21 ILE 88 9.349 -3.537 -4.365 557 1HD1 ILE 88 HD13 ILE 88 7.584 -4.861 -1.744 558 2HD1 ILE 88 HD12 ILE 88 9.101 -4.264 -1.070 559 3HD1 ILE 88 HD11 ILE 88 7.641 -4.280 -0.080 560 H LEU 89 HN LEU 89 6.567 -2.182 -5.701 561 HA LEU 89 HA LEU 89 8.773 -1.926 -7.470 562 1HB LEU 89 HB2 LEU 89 7.319 -3.116 -8.718 563 2HB LEU 89 HB1 LEU 89 6.003 -2.702 -7.628 564 HG LEU 89 HG LEU 89 5.729 -0.541 -8.870 565 1HD1 LEU 89 HD11 LEU 89 8.237 -1.098 -9.849 566 2HD1 LEU 89 HD13 LEU 89 7.209 -1.552 -11.208 567 3HD1 LEU 89 HD12 LEU 89 7.128 0.081 -10.549 568 1HD2 LEU 89 HD22 LEU 89 5.131 -3.230 -9.776 569 2HD2 LEU 89 HD21 LEU 89 4.135 -1.779 -9.884 570 3HD2 LEU 89 HD23 LEU 89 5.306 -2.141 -11.152 571 H LEU 90 HN LEU 90 6.020 0.277 -6.910 572 HA LEU 90 HA LEU 90 6.780 2.300 -8.758 573 1HB LEU 90 HB2 LEU 90 5.291 2.422 -6.125 574 2HB LEU 90 HB1 LEU 90 5.531 3.843 -7.141 575 HG LEU 90 HG LEU 90 4.303 1.273 -8.166 576 1HD1 LEU 90 HD12 LEU 90 3.089 3.633 -6.768 577 2HD1 LEU 90 HD11 LEU 90 2.187 2.859 -8.071 578 3HD1 LEU 90 HD13 LEU 90 2.662 1.925 -6.653 579 1HD2 LEU 90 HD23 LEU 90 5.256 3.652 -9.402 580 2HD2 LEU 90 HD22 LEU 90 4.380 2.322 -10.159 581 3HD2 LEU 90 HD21 LEU 90 3.495 3.694 -9.492 582 H ILE 91 HN ILE 91 7.618 1.920 -5.313 583 HA ILE 91 HA ILE 91 9.194 4.254 -5.049 584 HB ILE 91 HB ILE 91 9.395 1.552 -3.700 585 1HG1 ILE 91 HG12 ILE 91 8.399 4.238 -2.700 586 2HG1 ILE 91 HG11 ILE 91 7.348 2.978 -3.347 587 1HG2 ILE 91 HG21 ILE 91 11.587 2.718 -3.650 588 2HG2 ILE 91 HG23 ILE 91 10.798 4.144 -2.976 589 3HG2 ILE 91 HG22 ILE 91 10.850 2.645 -2.049 590 1HD1 ILE 91 HD11 ILE 91 8.786 1.543 -1.537 591 2HD1 ILE 91 HD13 ILE 91 8.746 3.117 -0.743 592 3HD1 ILE 91 HD12 ILE 91 7.240 2.307 -1.170 593 H SER 92 HN SER 92 10.230 0.957 -6.034 594 HA SER 92 HA SER 92 12.981 1.585 -6.319 595 1HB SER 92 HB2 SER 92 11.313 -0.306 -8.007 596 2HB SER 92 HB1 SER 92 13.071 -0.306 -7.907 597 HG SER 92 HG SER 92 12.689 -1.644 -6.316 598 H TYR 93 HN TYR 93 10.335 1.799 -8.730 599 HA TYR 93 HA TYR 93 11.922 2.848 -10.846 600 1HB TYR 93 HB2 TYR 93 9.606 2.124 -11.204 601 2HB TYR 93 HB1 TYR 93 9.022 3.423 -10.162 602 HD1 TYR 93 HD1 TYR 93 11.106 2.858 -13.227 603 HD2 TYR 93 HD2 TYR 93 8.470 5.497 -11.097 604 HE1 TYR 93 HE1 TYR 93 11.098 4.410 -15.161 605 HE2 TYR 93 HE2 TYR 93 8.462 7.050 -13.031 606 HH TYR 93 HH TYR 93 10.271 6.283 -16.010 607 H GLY 94 HN GLY 94 10.097 4.543 -8.288 608 1HA GLY 94 HA2 GLY 94 10.736 7.192 -9.036 609 2HA GLY 94 HA1 GLY 94 10.359 6.684 -7.392 610 H ILE 95 HN ILE 95 12.480 5.010 -6.795 611 HA ILE 95 HA ILE 95 14.502 6.857 -6.072 612 HB ILE 95 HB ILE 95 13.986 4.313 -5.323 613 1HG1 ILE 95 HG12 ILE 95 16.825 5.221 -5.069 614 2HG1 ILE 95 HG11 ILE 95 15.552 6.255 -4.419 615 1HG2 ILE 95 HG22 ILE 95 14.914 3.353 -7.418 616 2HG2 ILE 95 HG21 ILE 95 16.464 4.110 -7.061 617 3HG2 ILE 95 HG23 ILE 95 15.834 2.850 -6.002 618 1HD1 ILE 95 HD12 ILE 95 14.670 4.318 -3.133 619 2HD1 ILE 95 HD11 ILE 95 16.004 3.335 -3.737 620 3HD1 ILE 95 HD13 ILE 95 16.329 4.712 -2.684 621 H ARG 96 HN ARG 96 14.464 4.530 -8.792 622 HA ARG 96 HA ARG 96 17.027 5.178 -9.831 623 1HB ARG 96 HB2 ARG 96 14.484 4.336 -11.251 624 2HB ARG 96 HB1 ARG 96 16.061 4.431 -12.036 625 1HG ARG 96 HG2 ARG 96 16.672 2.967 -9.807 626 2HG ARG 96 HG1 ARG 96 15.025 2.424 -10.132 627 1HD ARG 96 HD2 ARG 96 17.464 2.205 -11.878 628 2HD ARG 96 HD1 ARG 96 16.287 0.961 -11.452 629 HE ARG 96 HE ARG 96 14.806 2.810 -12.890 630 1HH1 ARG 96 HH21 ARG 96 16.678 3.730 -14.685 631 2HH1 ARG 96 HH22 ARG 96 16.953 2.458 -15.828 632 1HH2 ARG 96 HH11 ARG 96 15.602 -0.011 -13.801 633 2HH2 ARG 96 HH12 ARG 96 16.343 0.339 -15.328 634 H ARG 97 HN ARG 97 13.840 6.617 -10.544 635 HA ARG 97 HA ARG 97 14.739 8.538 -12.420 636 1HB ARG 97 HB2 ARG 97 12.329 7.995 -11.862 637 2HB ARG 97 HB1 ARG 97 12.518 8.974 -10.405 638 1HG ARG 97 HG2 ARG 97 13.424 10.248 -12.922 639 2HG ARG 97 HG1 ARG 97 11.686 9.987 -12.788 640 1HD ARG 97 HD2 ARG 97 13.117 11.126 -10.424 641 2HD ARG 97 HD1 ARG 97 12.835 12.185 -11.803 642 HE ARG 97 HE ARG 97 10.886 11.752 -9.934 643 1HH1 ARG 97 HH11 ARG 97 10.875 12.431 -13.123 644 2HH1 ARG 97 HH12 ARG 97 9.364 11.675 -13.507 645 1HH2 ARG 97 HH21 ARG 97 9.099 10.053 -10.453 646 2HH2 ARG 97 HH22 ARG 97 8.358 10.329 -11.995 647 H LEU 98 HN LEU 98 14.434 8.810 -8.873 648 HA LEU 98 HA LEU 98 15.264 11.503 -8.632 649 1HB LEU 98 HB2 LEU 98 14.944 9.215 -6.883 650 2HB LEU 98 HB1 LEU 98 16.390 10.126 -6.444 651 HG LEU 98 HG LEU 98 14.192 11.917 -7.059 652 1HD1 LEU 98 HD11 LEU 98 13.372 9.528 -5.816 653 2HD1 LEU 98 HD13 LEU 98 13.498 10.711 -4.515 654 3HD1 LEU 98 HD12 LEU 98 12.466 11.037 -5.907 655 1HD2 LEU 98 HD22 LEU 98 16.364 11.558 -5.169 656 2HD2 LEU 98 HD21 LEU 98 15.538 13.044 -5.640 657 3HD2 LEU 98 HD23 LEU 98 14.890 12.050 -4.335 658 H ILE 99 HN ILE 99 17.234 8.522 -8.646 659 HA ILE 99 HA ILE 99 19.725 10.045 -8.583 660 HB ILE 99 HB ILE 99 20.771 7.817 -8.852 661 1HG1 ILE 99 HG12 ILE 99 18.038 6.573 -8.826 662 2HG1 ILE 99 HG11 ILE 99 18.712 7.118 -10.361 663 1HG2 ILE 99 HG23 ILE 99 18.688 8.399 -6.813 664 2HG2 ILE 99 HG22 ILE 99 19.255 6.731 -6.887 665 3HG2 ILE 99 HG21 ILE 99 20.401 8.040 -6.600 666 1HD1 ILE 99 HD13 ILE 99 20.838 5.780 -9.178 667 2HD1 ILE 99 HD12 ILE 99 19.444 4.796 -8.732 668 3HD1 ILE 99 HD11 ILE 99 19.784 5.126 -10.431 669 H LYS 100 HN LYS 100 20.573 7.822 -10.718 670 HA LYS 100 HA LYS 100 21.009 7.844 -13.017 671 1HB LYS 100 HB2 LYS 100 18.527 7.568 -13.088 672 2HB LYS 100 HB1 LYS 100 18.366 9.325 -13.147 673 1HG LYS 100 HG2 LYS 100 19.413 9.465 -15.270 674 2HG LYS 100 HG1 LYS 100 20.062 7.829 -15.148 675 1HD LYS 100 HD2 LYS 100 17.342 7.420 -14.875 676 2HD LYS 100 HD1 LYS 100 17.421 8.723 -16.061 677 1HE LYS 100 HE2 LYS 100 19.403 6.605 -16.525 678 2HE LYS 100 HE1 LYS 100 17.735 6.041 -16.635 679 1HZ LYS 100 HZ2 LYS 100 17.641 8.381 -17.959 680 2HZ LYS 100 HZ1 LYS 100 19.192 7.825 -18.368 681 3HZ LYS 100 HZ3 LYS 100 17.835 6.863 -18.695 682 H LYS 101 HN LYS 101 22.247 9.159 -14.323 683 HA LYS 101 HA LYS 101 21.845 11.921 -14.791 684 1HB LYS 101 HB2 LYS 101 23.420 13.009 -13.338 685 2HB LYS 101 HB1 LYS 101 22.371 12.037 -12.310 686 1HG LYS 101 HG2 LYS 101 24.089 10.747 -11.616 687 2HG LYS 101 HG1 LYS 101 24.693 10.530 -13.258 688 1HD LYS 101 HD2 LYS 101 25.963 12.519 -13.183 689 2HD LYS 101 HD1 LYS 101 25.067 13.140 -11.796 690 1HE LYS 101 HE2 LYS 101 26.676 10.597 -11.595 691 2HE LYS 101 HE1 LYS 101 27.429 12.175 -11.361 692 1HZ LYS 101 HZ2 LYS 101 24.950 11.509 -9.924 693 2HZ LYS 101 HZ1 LYS 101 26.438 10.925 -9.347 694 3HZ LYS 101 HZ3 LYS 101 26.184 12.595 -9.493 No H/Q in entry = 694 Start of MODEL 5 1 1H VAL 62 HT3 VAL 62 -33.134 1.192 17.923 2 2H VAL 62 HT2 VAL 62 -33.357 2.391 16.740 3 3H VAL 62 HT1 VAL 62 -33.185 0.763 16.283 4 HA VAL 62 HA VAL 62 -31.135 1.891 15.842 5 HB VAL 62 HB VAL 62 -29.947 3.085 17.562 6 1HG1 VAL 62 HG13 VAL 62 -32.256 3.983 16.477 7 2HG1 VAL 62 HG12 VAL 62 -32.677 4.077 18.187 8 3HG1 VAL 62 HG11 VAL 62 -31.275 4.953 17.575 9 1HG2 VAL 62 HG22 VAL 62 -31.794 1.578 19.302 10 2HG2 VAL 62 HG21 VAL 62 -30.164 2.163 19.633 11 3HG2 VAL 62 HG23 VAL 62 -31.541 3.253 19.794 12 H GLN 63 HN GLN 63 -28.995 1.354 17.639 13 HA GLN 63 HA GLN 63 -29.403 -1.429 18.561 14 1HB GLN 63 HB2 GLN 63 -27.128 -1.896 17.257 15 2HB GLN 63 HB1 GLN 63 -28.689 -2.085 16.459 16 1HG GLN 63 HG2 GLN 63 -27.291 -0.777 14.993 17 2HG GLN 63 HG1 GLN 63 -28.487 0.315 15.690 18 1HE2 GLN 63 HE22 GLN 63 -24.540 0.792 16.605 19 2HE2 GLN 63 HE21 GLN 63 -25.058 -0.548 15.700 20 H LEU 64 HN LEU 64 -27.433 -2.205 19.762 21 HA LEU 64 HA LEU 64 -26.009 0.121 20.996 22 1HB LEU 64 HB2 LEU 64 -27.463 -2.100 22.145 23 2HB LEU 64 HB1 LEU 64 -25.786 -2.122 22.692 24 HG LEU 64 HG LEU 64 -26.141 0.438 23.082 25 1HD1 LEU 64 HD12 LEU 64 -28.962 -0.631 22.874 26 2HD1 LEU 64 HD11 LEU 64 -28.573 0.829 23.784 27 3HD1 LEU 64 HD13 LEU 64 -28.266 0.763 22.048 28 1HD2 LEU 64 HD22 LEU 64 -27.366 -1.753 24.780 29 2HD2 LEU 64 HD21 LEU 64 -25.752 -1.058 24.928 30 3HD2 LEU 64 HD23 LEU 64 -27.169 -0.093 25.345 31 H ALA 65 HN ALA 65 -25.509 -2.261 18.817 32 HA ALA 65 HA ALA 65 -22.986 -3.339 19.805 33 1HB ALA 65 HB2 ALA 65 -24.702 -3.670 17.439 34 2HB ALA 65 HB1 ALA 65 -22.977 -3.756 17.078 35 3HB ALA 65 HB3 ALA 65 -23.686 -4.852 18.264 36 H HIS 66 HN HIS 66 -22.015 -1.174 20.274 37 HA HIS 66 HA HIS 66 -21.488 0.871 18.467 38 1HB HIS 66 HB2 HIS 66 -20.328 -0.077 20.927 39 2HB HIS 66 HB1 HIS 66 -19.041 0.416 19.826 40 HD1 HIS 66 HD1 HIS 66 -19.358 2.894 18.749 41 HD2 HIS 66 HD2 HIS 66 -21.656 2.051 22.123 42 HE1 HIS 66 HE1 HIS 66 -20.155 5.123 19.648 43 H HIS 67 HN HIS 67 -19.934 1.228 16.839 44 HA HIS 67 HA HIS 67 -18.416 0.655 15.143 45 1HB HIS 67 HB2 HIS 67 -17.578 -0.843 17.450 46 2HB HIS 67 HB1 HIS 67 -17.386 -1.845 16.011 47 HD1 HIS 67 HD1 HIS 67 -15.050 -1.593 15.190 48 HD2 HIS 67 HD2 HIS 67 -16.605 2.043 16.510 49 HE1 HIS 67 HE1 HIS 67 -13.272 0.153 14.736 50 H PHE 68 HN PHE 68 -19.123 -0.156 13.240 51 HA PHE 68 HA PHE 68 -20.220 -2.907 13.152 52 1HB PHE 68 HB2 PHE 68 -22.019 -1.719 11.523 53 2HB PHE 68 HB1 PHE 68 -22.324 -1.988 13.239 54 HD1 PHE 68 HD2 PHE 68 -20.831 0.521 10.888 55 HD2 PHE 68 HD1 PHE 68 -22.811 -0.169 14.637 56 HE1 PHE 68 HE2 PHE 68 -21.014 2.969 11.244 57 HE2 PHE 68 HE1 PHE 68 -22.994 2.278 14.992 58 HZ PHE 68 HZ PHE 68 -22.094 3.848 13.296 59 H SER 69 HN SER 69 -20.151 -3.809 10.986 60 HA SER 69 HA SER 69 -18.555 -2.173 9.056 61 1HB SER 69 HB2 SER 69 -18.140 -5.055 8.832 62 2HB SER 69 HB1 SER 69 -16.952 -3.759 8.932 63 HG SER 69 HG SER 69 -17.873 -5.433 10.858 64 H GLU 70 HN GLU 70 -18.618 -3.491 6.820 65 HA GLU 70 HA GLU 70 -20.622 -5.146 5.969 66 1HB GLU 70 HB2 GLU 70 -22.413 -3.931 6.876 67 2HB GLU 70 HB1 GLU 70 -21.714 -2.377 6.444 68 1HG GLU 70 HG2 GLU 70 -22.135 -4.034 4.088 69 2HG GLU 70 HG1 GLU 70 -23.634 -3.803 4.989 70 HA PRO 71 HA PRO 71 -19.544 -2.085 2.348 71 1HB PRO 71 HB2 PRO 71 -17.404 -0.403 3.279 72 2HB PRO 71 HB1 PRO 71 -19.003 0.090 2.706 73 1HG PRO 71 HG2 PRO 71 -18.019 0.121 5.414 74 2HG PRO 71 HG1 PRO 71 -19.617 0.610 4.835 75 1HD PRO 71 HD2 PRO 71 -18.932 -1.741 6.342 76 2HD PRO 71 HD1 PRO 71 -20.530 -1.253 5.753 77 H GLU 72 HN GLU 72 -18.662 -4.392 2.260 78 HA GLU 72 HA GLU 72 -16.059 -5.155 2.986 79 1HB GLU 72 HB2 GLU 72 -18.082 -6.069 1.072 80 2HB GLU 72 HB1 GLU 72 -16.433 -6.408 0.545 81 1HG GLU 72 HG2 GLU 72 -16.780 -6.964 3.381 82 2HG GLU 72 HG1 GLU 72 -17.913 -7.890 2.397 83 H ILE 73 HN ILE 73 -16.901 -4.279 -0.389 84 HA ILE 73 HA ILE 73 -14.368 -3.936 -1.397 85 HB ILE 73 HB ILE 73 -16.618 -3.590 -2.576 86 1HG1 ILE 73 HG12 ILE 73 -15.341 -1.501 -3.847 87 2HG1 ILE 73 HG11 ILE 73 -14.019 -2.309 -3.002 88 1HG2 ILE 73 HG23 ILE 73 -17.401 -1.806 -1.003 89 2HG2 ILE 73 HG22 ILE 73 -16.142 -0.744 -1.635 90 3HG2 ILE 73 HG21 ILE 73 -17.443 -1.298 -2.691 91 1HD1 ILE 73 HD13 ILE 73 -15.577 -4.387 -4.057 92 2HD1 ILE 73 HD12 ILE 73 -15.491 -3.185 -5.345 93 3HD1 ILE 73 HD11 ILE 73 -14.009 -3.842 -4.652 94 H THR 74 HN THR 74 -16.212 -1.443 0.394 95 HA THR 74 HA THR 74 -14.287 0.618 0.277 96 HB THR 74 HB THR 74 -15.664 0.236 2.884 97 HG1 THR 74 HG1 THR 74 -17.175 0.893 0.601 98 1HG2 THR 74 HG23 THR 74 -14.552 2.336 1.410 99 2HG2 THR 74 HG22 THR 74 -16.293 2.593 1.301 100 3HG2 THR 74 HG21 THR 74 -15.514 2.483 2.880 101 H LEU 75 HN LEU 75 -14.611 -2.028 2.642 102 HA LEU 75 HA LEU 75 -12.275 -1.304 4.163 103 1HB LEU 75 HB2 LEU 75 -14.249 -2.944 4.746 104 2HB LEU 75 HB1 LEU 75 -13.234 -4.145 3.948 105 HG LEU 75 HG LEU 75 -12.594 -2.491 6.396 106 1HD1 LEU 75 HD12 LEU 75 -13.596 -5.072 6.008 107 2HD1 LEU 75 HD11 LEU 75 -11.885 -5.316 6.364 108 3HD1 LEU 75 HD13 LEU 75 -12.906 -4.434 7.500 109 1HD2 LEU 75 HD22 LEU 75 -10.723 -4.012 4.562 110 2HD2 LEU 75 HD21 LEU 75 -10.605 -2.324 5.060 111 3HD2 LEU 75 HD23 LEU 75 -10.311 -3.612 6.229 112 H ILE 76 HN ILE 76 -12.778 -3.709 1.553 113 HA ILE 76 HA ILE 76 -10.132 -4.726 1.545 114 HB ILE 76 HB ILE 76 -11.804 -4.282 -0.948 115 1HG1 ILE 76 HG12 ILE 76 -11.950 -6.608 0.992 116 2HG1 ILE 76 HG11 ILE 76 -13.148 -5.323 0.907 117 1HG2 ILE 76 HG23 ILE 76 -9.325 -5.198 -0.865 118 2HG2 ILE 76 HG22 ILE 76 -10.118 -6.685 -0.346 119 3HG2 ILE 76 HG21 ILE 76 -10.525 -5.968 -1.905 120 1HD1 ILE 76 HD12 ILE 76 -12.485 -6.597 -1.679 121 2HD1 ILE 76 HD11 ILE 76 -13.328 -7.625 -0.521 122 3HD1 ILE 76 HD13 ILE 76 -14.050 -6.102 -1.033 123 H ILE 77 HN ILE 77 -11.517 -1.983 -0.292 124 HA ILE 77 HA ILE 77 -9.109 -1.188 -1.586 125 HB ILE 77 HB ILE 77 -11.428 0.506 -0.601 126 1HG1 ILE 77 HG12 ILE 77 -11.968 -1.322 -2.235 127 2HG1 ILE 77 HG11 ILE 77 -12.255 0.294 -2.880 128 1HG2 ILE 77 HG23 ILE 77 -8.887 1.218 -1.793 129 2HG2 ILE 77 HG22 ILE 77 -10.213 1.646 -2.874 130 3HG2 ILE 77 HG21 ILE 77 -10.180 2.274 -1.227 131 1HD1 ILE 77 HD13 ILE 77 -9.515 -0.629 -3.334 132 2HD1 ILE 77 HD12 ILE 77 -10.719 -1.673 -4.090 133 3HD1 ILE 77 HD11 ILE 77 -10.675 0.046 -4.479 134 H PHE 78 HN PHE 78 -10.518 -0.198 1.521 135 HA PHE 78 HA PHE 78 -8.506 1.622 2.320 136 1HB PHE 78 HB2 PHE 78 -10.461 -0.101 3.819 137 2HB PHE 78 HB1 PHE 78 -9.238 0.808 4.704 138 HD1 PHE 78 HD2 PHE 78 -10.456 2.096 1.502 139 HD2 PHE 78 HD1 PHE 78 -10.998 2.206 5.764 140 HE1 PHE 78 HE2 PHE 78 -11.813 4.159 1.277 141 HE2 PHE 78 HE1 PHE 78 -12.354 4.270 5.537 142 HZ PHE 78 HZ PHE 78 -12.761 5.246 3.294 143 H GLY 79 HN GLY 79 -8.721 -1.902 2.952 144 1HA GLY 79 HA2 GLY 79 -6.372 -2.106 4.513 145 2HA GLY 79 HA1 GLY 79 -7.010 -3.413 3.515 146 H VAL 80 HN VAL 80 -6.725 -2.389 0.948 147 HA VAL 80 HA VAL 80 -3.968 -2.834 0.401 148 HB VAL 80 HB VAL 80 -6.054 -1.366 -1.242 149 1HG1 VAL 80 HG11 VAL 80 -3.433 -1.120 -1.695 150 2HG1 VAL 80 HG13 VAL 80 -3.658 -2.708 -2.430 151 3HG1 VAL 80 HG12 VAL 80 -4.575 -1.323 -3.022 152 1HG2 VAL 80 HG23 VAL 80 -6.110 -3.961 -0.481 153 2HG2 VAL 80 HG22 VAL 80 -6.686 -3.423 -2.059 154 3HG2 VAL 80 HG21 VAL 80 -5.067 -4.101 -1.897 155 H MET 81 HN MET 81 -5.810 0.207 0.632 156 HA MET 81 HA MET 81 -3.660 2.000 0.152 157 1HB MET 81 HB2 MET 81 -5.957 2.452 2.080 158 2HB MET 81 HB1 MET 81 -5.030 3.682 1.221 159 1HG MET 81 HG2 MET 81 -6.000 1.881 -0.744 160 2HG MET 81 HG1 MET 81 -7.355 2.241 0.326 161 1HE MET 81 HE3 MET 81 -7.115 2.946 -2.753 162 2HE MET 81 HE2 MET 81 -6.439 4.520 -3.164 163 3HE MET 81 HE1 MET 81 -5.373 3.227 -2.623 164 H ALA 82 HN ALA 82 -4.862 0.611 3.201 165 HA ALA 82 HA ALA 82 -3.044 1.888 4.945 166 1HB ALA 82 HB1 ALA 82 -4.841 -0.429 5.085 167 2HB ALA 82 HB3 ALA 82 -3.399 -0.616 6.088 168 3HB ALA 82 HB2 ALA 82 -4.457 0.775 6.313 169 H GLY 83 HN GLY 83 -2.669 -1.224 3.174 170 1HA GLY 83 HA2 GLY 83 -0.136 -1.902 4.238 171 2HA GLY 83 HA1 GLY 83 -0.695 -2.368 2.629 172 H VAL 84 HN VAL 84 -0.936 0.090 1.359 173 HA VAL 84 HA VAL 84 1.744 0.675 0.611 174 HB VAL 84 HB VAL 84 -0.802 2.295 0.371 175 1HG1 VAL 84 HG13 VAL 84 2.027 2.959 -0.360 176 2HG1 VAL 84 HG12 VAL 84 0.736 3.459 -1.453 177 3HG1 VAL 84 HG11 VAL 84 0.743 4.021 0.220 178 1HG2 VAL 84 HG23 VAL 84 -0.060 0.041 -0.931 179 2HG2 VAL 84 HG22 VAL 84 -1.028 1.307 -1.687 180 3HG2 VAL 84 HG21 VAL 84 0.714 1.245 -1.961 181 H ILE 85 HN ILE 85 -0.431 2.421 2.847 182 HA ILE 85 HA ILE 85 1.360 4.481 3.596 183 HB ILE 85 HB ILE 85 -0.774 3.084 5.237 184 1HG1 ILE 85 HG12 ILE 85 -0.743 5.564 3.493 185 2HG1 ILE 85 HG11 ILE 85 -1.719 4.111 3.270 186 1HG2 ILE 85 HG21 ILE 85 1.221 4.757 6.175 187 2HG2 ILE 85 HG23 ILE 85 -0.109 5.873 5.861 188 3HG2 ILE 85 HG22 ILE 85 -0.343 4.505 6.950 189 1HD1 ILE 85 HD11 ILE 85 -2.341 4.904 5.857 190 2HD1 ILE 85 HD13 ILE 85 -2.211 6.430 4.984 191 3HD1 ILE 85 HD12 ILE 85 -3.334 5.191 4.427 192 H GLY 86 HN GLY 86 0.892 1.246 5.060 193 1HA GLY 86 HA2 GLY 86 2.758 1.516 7.164 194 2HA GLY 86 HA1 GLY 86 2.347 -0.019 6.397 195 H THR 87 HN THR 87 3.300 0.354 3.814 196 HA THR 87 HA THR 87 6.076 -0.174 4.090 197 HB THR 87 HB THR 87 4.460 0.798 1.716 198 HG1 THR 87 HG1 THR 87 4.137 -1.337 2.649 199 1HG2 THR 87 HG22 THR 87 7.363 0.490 2.069 200 2HG2 THR 87 HG21 THR 87 6.714 -0.409 0.697 201 3HG2 THR 87 HG23 THR 87 6.466 1.334 0.806 202 H ILE 88 HN ILE 88 4.391 2.828 3.153 203 HA ILE 88 HA ILE 88 6.685 4.464 2.816 204 HB ILE 88 HB ILE 88 3.953 5.233 3.889 205 1HG1 ILE 88 HG12 ILE 88 5.048 5.388 1.065 206 2HG1 ILE 88 HG11 ILE 88 4.006 4.087 1.642 207 1HG2 ILE 88 HG21 ILE 88 6.280 6.750 3.818 208 2HG2 ILE 88 HG23 ILE 88 5.453 7.200 2.327 209 3HG2 ILE 88 HG22 ILE 88 4.637 7.388 3.878 210 1HD1 ILE 88 HD12 ILE 88 2.377 5.945 2.363 211 2HD1 ILE 88 HD11 ILE 88 3.345 7.020 1.355 212 3HD1 ILE 88 HD13 ILE 88 2.520 5.640 0.632 213 H LEU 89 HN LEU 89 4.728 3.833 5.728 214 HA LEU 89 HA LEU 89 6.166 5.501 7.498 215 1HB LEU 89 HB2 LEU 89 4.729 4.677 9.039 216 2HB LEU 89 HB1 LEU 89 4.011 3.777 7.710 217 HG LEU 89 HG LEU 89 5.718 1.935 8.234 218 1HD1 LEU 89 HD11 LEU 89 6.844 3.829 9.845 219 2HD1 LEU 89 HD13 LEU 89 5.856 2.951 11.012 220 3HD1 LEU 89 HD12 LEU 89 7.074 2.095 10.069 221 1HD2 LEU 89 HD21 LEU 89 3.178 2.428 9.171 222 2HD2 LEU 89 HD23 LEU 89 4.065 0.924 9.421 223 3HD2 LEU 89 HD22 LEU 89 4.076 2.173 10.667 224 H LEU 90 HN LEU 90 6.740 2.066 6.676 225 HA LEU 90 HA LEU 90 8.956 1.648 8.408 226 1HB LEU 90 HB2 LEU 90 7.993 0.417 5.870 227 2HB LEU 90 HB1 LEU 90 9.687 0.151 6.275 228 HG LEU 90 HG LEU 90 8.198 -1.620 7.199 229 1HD1 LEU 90 HD12 LEU 90 10.352 -0.559 8.341 230 2HD1 LEU 90 HD11 LEU 90 9.180 -0.072 9.565 231 3HD1 LEU 90 HD13 LEU 90 9.393 -1.780 9.177 232 1HD2 LEU 90 HD21 LEU 90 6.274 0.008 7.576 233 2HD2 LEU 90 HD23 LEU 90 6.590 -1.108 8.904 234 3HD2 LEU 90 HD22 LEU 90 7.138 0.564 9.009 235 H ILE 91 HN ILE 91 8.890 2.868 5.047 236 HA ILE 91 HA ILE 91 11.687 3.245 4.743 237 HB ILE 91 HB ILE 91 9.461 4.978 3.624 238 1HG1 ILE 91 HG12 ILE 91 10.738 2.417 2.616 239 2HG1 ILE 91 HG11 ILE 91 9.049 2.648 3.072 240 1HG2 ILE 91 HG22 ILE 91 12.318 5.099 3.426 241 2HG2 ILE 91 HG21 ILE 91 11.668 4.625 1.856 242 3HG2 ILE 91 HG23 ILE 91 11.123 6.117 2.622 243 1HD1 ILE 91 HD11 ILE 91 8.838 4.352 1.257 244 2HD1 ILE 91 HD13 ILE 91 10.488 3.981 0.760 245 3HD1 ILE 91 HD12 ILE 91 9.235 2.747 0.644 246 H SER 92 HN SER 92 9.215 5.504 6.007 247 HA SER 92 HA SER 92 10.969 7.673 6.512 248 1HB SER 92 HB2 SER 92 8.286 6.895 7.283 249 2HB SER 92 HB1 SER 92 9.133 7.601 8.656 250 HG SER 92 HG SER 92 8.235 8.756 6.346 251 H TYR 93 HN TYR 93 10.060 4.925 8.616 252 HA TYR 93 HA TYR 93 11.672 5.639 10.842 253 1HB TYR 93 HB2 TYR 93 9.966 3.656 10.484 254 2HB TYR 93 HB1 TYR 93 11.407 2.768 9.995 255 HD1 TYR 93 HD1 TYR 93 12.950 4.896 12.040 256 HD2 TYR 93 HD2 TYR 93 9.942 1.844 12.334 257 HE1 TYR 93 HE1 TYR 93 13.543 4.541 14.421 258 HE2 TYR 93 HE2 TYR 93 10.534 1.491 14.715 259 HH TYR 93 HH TYR 93 13.132 2.168 16.080 260 H GLY 94 HN GLY 94 12.474 3.628 7.989 261 1HA GLY 94 HA2 GLY 94 15.159 3.049 8.692 262 2HA GLY 94 HA1 GLY 94 14.557 3.129 7.035 263 H ILE 95 HN ILE 95 13.818 5.768 6.808 264 HA ILE 95 HA ILE 95 16.277 7.078 6.262 265 HB ILE 95 HB ILE 95 13.433 8.026 6.541 266 1HG1 ILE 95 HG12 ILE 95 14.925 8.768 4.162 267 2HG1 ILE 95 HG11 ILE 95 15.053 7.035 4.465 268 1HG2 ILE 95 HG22 ILE 95 15.885 9.691 6.690 269 2HG2 ILE 95 HG21 ILE 95 14.668 10.229 5.533 270 3HG2 ILE 95 HG23 ILE 95 14.247 10.048 7.237 271 1HD1 ILE 95 HD11 ILE 95 12.542 6.991 4.744 272 2HD1 ILE 95 HD13 ILE 95 12.513 8.665 4.194 273 3HD1 ILE 95 HD12 ILE 95 13.083 7.392 3.115 274 H ARG 96 HN ARG 96 14.080 7.468 9.057 275 HA ARG 96 HA ARG 96 15.573 9.460 10.414 276 1HB ARG 96 HB2 ARG 96 13.349 8.817 11.180 277 2HB ARG 96 HB1 ARG 96 13.917 7.188 11.552 278 1HG ARG 96 HG2 ARG 96 14.822 7.836 13.523 279 2HG ARG 96 HG1 ARG 96 15.534 9.285 12.812 280 1HD ARG 96 HD2 ARG 96 13.816 9.840 14.518 281 2HD ARG 96 HD1 ARG 96 13.371 10.432 12.918 282 HE ARG 96 HE ARG 96 12.178 7.935 13.054 283 1HH1 ARG 96 HH11 ARG 96 10.932 10.813 13.251 284 2HH1 ARG 96 HH12 ARG 96 9.895 10.581 14.620 285 1HH2 ARG 96 HH21 ARG 96 11.390 7.603 15.580 286 2HH2 ARG 96 HH22 ARG 96 10.154 8.763 15.938 287 H ARG 97 HN ARG 97 15.818 5.904 10.644 288 HA ARG 97 HA ARG 97 17.901 5.845 12.565 289 1HB ARG 97 HB2 ARG 97 16.502 3.914 11.261 290 2HB ARG 97 HB1 ARG 97 18.043 3.809 10.408 291 1HG ARG 97 HG2 ARG 97 19.237 3.488 12.498 292 2HG ARG 97 HG1 ARG 97 17.762 3.760 13.425 293 1HD ARG 97 HD2 ARG 97 18.185 1.495 11.452 294 2HD ARG 97 HD1 ARG 97 18.268 1.342 13.207 295 HE ARG 97 HE ARG 97 15.768 2.453 12.753 296 1HH1 ARG 97 HH11 ARG 97 17.314 -0.537 12.734 297 2HH1 ARG 97 HH12 ARG 97 16.000 -1.404 12.013 298 1HH2 ARG 97 HH21 ARG 97 14.137 1.442 11.339 299 2HH2 ARG 97 HH22 ARG 97 14.202 -0.284 11.224 300 H LEU 98 HN LEU 98 18.109 5.934 9.008 301 HA LEU 98 HA LEU 98 20.925 5.848 8.785 302 1HB LEU 98 HB2 LEU 98 18.762 7.078 7.086 303 2HB LEU 98 HB1 LEU 98 20.462 7.259 6.649 304 HG LEU 98 HG LEU 98 19.426 4.529 7.332 305 1HD1 LEU 98 HD13 LEU 98 17.989 5.895 5.541 306 2HD1 LEU 98 HD12 LEU 98 19.328 5.440 4.486 307 3HD1 LEU 98 HD11 LEU 98 18.381 4.192 5.299 308 1HD2 LEU 98 HD22 LEU 98 21.840 4.928 6.953 309 2HD2 LEU 98 HD21 LEU 98 21.164 3.885 5.702 310 3HD2 LEU 98 HD23 LEU 98 21.478 5.585 5.358 311 H ILE 99 HN ILE 99 18.799 8.712 9.110 312 HA ILE 99 HA ILE 99 21.062 10.538 9.161 313 HB ILE 99 HB ILE 99 19.396 12.252 9.692 314 1HG1 ILE 99 HG12 ILE 99 17.082 10.449 9.617 315 2HG1 ILE 99 HG11 ILE 99 18.101 10.201 11.033 316 1HG2 ILE 99 HG22 ILE 99 19.611 11.192 7.356 317 2HG2 ILE 99 HG21 ILE 99 18.116 10.336 7.738 318 3HG2 ILE 99 HG23 ILE 99 18.135 12.099 7.686 319 1HD1 ILE 99 HD11 ILE 99 18.009 12.937 10.907 320 2HD1 ILE 99 HD13 ILE 99 16.400 12.503 10.329 321 3HD1 ILE 99 HD12 ILE 99 16.948 11.951 11.911 322 H LYS 100 HN LYS 100 19.239 8.774 11.588 323 HA LYS 100 HA LYS 100 21.125 9.831 13.630 324 1HB LYS 100 HB2 LYS 100 18.142 10.088 13.636 325 2HB LYS 100 HB1 LYS 100 18.962 9.798 15.172 326 1HG LYS 100 HG2 LYS 100 20.395 11.802 13.670 327 2HG LYS 100 HG1 LYS 100 18.699 12.264 13.815 328 1HD LYS 100 HD2 LYS 100 18.808 11.909 16.255 329 2HD LYS 100 HD1 LYS 100 20.506 11.453 16.113 330 1HE LYS 100 HE2 LYS 100 20.306 13.898 14.755 331 2HE LYS 100 HE1 LYS 100 19.325 14.106 16.205 332 1HZ LYS 100 HZ3 LYS 100 21.278 13.092 17.429 333 2HZ LYS 100 HZ2 LYS 100 22.180 13.363 16.014 334 3HZ LYS 100 HZ1 LYS 100 21.483 14.671 16.844 335 H LYS 101 HN LYS 101 21.550 8.344 15.308 336 HA LYS 101 HA LYS 101 21.617 6.247 16.370 337 1HB LYS 101 HB2 LYS 101 18.887 6.519 15.424 338 2HB LYS 101 HB1 LYS 101 19.417 4.839 15.329 339 1HG LYS 101 HG2 LYS 101 18.719 4.885 17.530 340 2HG LYS 101 HG1 LYS 101 20.393 5.395 17.750 341 1HD LYS 101 HD2 LYS 101 19.734 7.733 17.772 342 2HD LYS 101 HD1 LYS 101 18.067 7.304 17.386 343 1HE LYS 101 HE2 LYS 101 18.079 7.652 19.738 344 2HE LYS 101 HE1 LYS 101 18.099 5.900 19.535 345 1HZ LYS 101 HZ3 LYS 101 20.677 6.323 19.550 346 2HZ LYS 101 HZ2 LYS 101 20.223 7.697 20.441 347 3HZ LYS 101 HZ1 LYS 101 19.806 6.144 20.994 348 1H VAL 62 HT1 VAL 62 -19.119 -13.157 -10.900 349 2H VAL 62 HT3 VAL 62 -18.472 -11.879 -9.993 350 3H VAL 62 HT2 VAL 62 -17.586 -12.534 -11.286 351 HA VAL 62 HA VAL 62 -16.539 -13.689 -9.691 352 HB VAL 62 HB VAL 62 -17.844 -14.255 -7.514 353 1HG1 VAL 62 HG12 VAL 62 -16.886 -11.577 -8.462 354 2HG1 VAL 62 HG11 VAL 62 -17.637 -11.695 -6.870 355 3HG1 VAL 62 HG13 VAL 62 -16.195 -12.642 -7.236 356 1HG2 VAL 62 HG22 VAL 62 -19.915 -13.111 -9.058 357 2HG2 VAL 62 HG21 VAL 62 -19.983 -13.556 -7.352 358 3HG2 VAL 62 HG23 VAL 62 -19.525 -11.918 -7.819 359 H GLN 63 HN GLN 63 -16.715 -15.979 -8.773 360 HA GLN 63 HA GLN 63 -18.980 -17.576 -9.743 361 1HB GLN 63 HB2 GLN 63 -17.602 -19.014 -11.191 362 2HB GLN 63 HB1 GLN 63 -17.577 -17.349 -11.771 363 1HG GLN 63 HG2 GLN 63 -15.476 -17.606 -9.871 364 2HG GLN 63 HG1 GLN 63 -15.363 -18.986 -10.965 365 1HE2 GLN 63 HE22 GLN 63 -14.608 -15.224 -12.368 366 2HE2 GLN 63 HE21 GLN 63 -15.227 -15.447 -10.803 367 H LEU 64 HN LEU 64 -18.836 -19.812 -8.959 368 HA LEU 64 HA LEU 64 -17.216 -19.966 -6.480 369 1HB LEU 64 HB2 LEU 64 -19.769 -21.066 -7.405 370 2HB LEU 64 HB1 LEU 64 -18.746 -22.277 -6.627 371 HG LEU 64 HG LEU 64 -20.168 -21.146 -4.963 372 1HD1 LEU 64 HD11 LEU 64 -17.411 -21.523 -4.830 373 2HD1 LEU 64 HD13 LEU 64 -17.641 -19.886 -4.213 374 3HD1 LEU 64 HD12 LEU 64 -18.483 -21.240 -3.460 375 1HD2 LEU 64 HD21 LEU 64 -19.138 -18.770 -6.398 376 2HD2 LEU 64 HD23 LEU 64 -20.665 -18.995 -5.546 377 3HD2 LEU 64 HD22 LEU 64 -19.198 -18.615 -4.642 378 H ALA 65 HN ALA 65 -16.592 -20.633 -9.573 379 HA ALA 65 HA ALA 65 -15.356 -23.291 -9.031 380 1HB ALA 65 HB2 ALA 65 -16.412 -21.937 -11.445 381 2HB ALA 65 HB1 ALA 65 -14.929 -22.862 -11.685 382 3HB ALA 65 HB3 ALA 65 -16.368 -23.654 -11.046 383 H HIS 66 HN HIS 66 -14.505 -20.196 -8.645 384 HA HIS 66 HA HIS 66 -11.729 -20.631 -9.674 385 1HB HIS 66 HB2 HIS 66 -13.497 -18.436 -10.018 386 2HB HIS 66 HB1 HIS 66 -12.215 -17.894 -8.934 387 HD1 HIS 66 HD1 HIS 66 -10.087 -19.952 -10.288 388 HD2 HIS 66 HD2 HIS 66 -12.331 -17.021 -12.226 389 HE1 HIS 66 HE1 HIS 66 -8.852 -19.404 -12.430 390 H HIS 67 HN HIS 67 -10.049 -19.484 -8.260 391 HA HIS 67 HA HIS 67 -10.602 -20.192 -5.442 392 1HB HIS 67 HB2 HIS 67 -8.151 -19.829 -5.151 393 2HB HIS 67 HB1 HIS 67 -8.513 -21.006 -6.414 394 HD1 HIS 67 HD1 HIS 67 -7.741 -20.471 -8.765 395 HD2 HIS 67 HD2 HIS 67 -7.404 -17.197 -6.205 396 HE1 HIS 67 HE1 HIS 67 -6.492 -18.682 -10.050 397 H PHE 68 HN PHE 68 -11.248 -17.553 -7.176 398 HA PHE 68 HA PHE 68 -10.029 -15.498 -5.487 399 1HB PHE 68 HB2 PHE 68 -12.049 -15.478 -7.726 400 2HB PHE 68 HB1 PHE 68 -11.736 -14.027 -6.772 401 HD1 PHE 68 HD2 PHE 68 -9.497 -12.973 -6.770 402 HD2 PHE 68 HD1 PHE 68 -10.397 -16.354 -9.263 403 HE1 PHE 68 HE2 PHE 68 -7.458 -12.529 -8.111 404 HE2 PHE 68 HE1 PHE 68 -8.358 -15.909 -10.603 405 HZ PHE 68 HZ PHE 68 -6.888 -13.996 -10.027 406 H SER 69 HN SER 69 -12.461 -17.668 -4.938 407 HA SER 69 HA SER 69 -14.269 -15.801 -3.534 408 1HB SER 69 HB2 SER 69 -14.677 -18.675 -3.096 409 2HB SER 69 HB1 SER 69 -15.807 -17.458 -3.684 410 HG SER 69 HG SER 69 -15.233 -17.884 -5.690 411 H GLU 70 HN GLU 70 -11.543 -15.970 -2.567 412 HA GLU 70 HA GLU 70 -11.323 -17.706 -0.298 413 1HB GLU 70 HB2 GLU 70 -9.790 -15.580 -1.502 414 2HB GLU 70 HB1 GLU 70 -9.862 -15.342 0.244 415 1HG GLU 70 HG2 GLU 70 -8.099 -16.807 0.209 416 2HG GLU 70 HG1 GLU 70 -9.399 -17.999 0.187 417 HA PRO 71 HA PRO 71 -13.685 -15.906 2.894 418 1HB PRO 71 HB2 PRO 71 -11.519 -15.458 4.751 419 2HB PRO 71 HB1 PRO 71 -12.712 -16.763 4.755 420 1HG PRO 71 HG2 PRO 71 -9.930 -16.955 4.070 421 2HG PRO 71 HG1 PRO 71 -11.143 -18.238 4.010 422 1HD PRO 71 HD2 PRO 71 -9.909 -16.859 1.791 423 2HD PRO 71 HD1 PRO 71 -11.101 -18.173 1.736 424 H GLU 72 HN GLU 72 -14.096 -13.867 4.040 425 HA GLU 72 HA GLU 72 -13.387 -11.538 2.592 426 1HB GLU 72 HB2 GLU 72 -14.593 -12.049 5.289 427 2HB GLU 72 HB1 GLU 72 -14.104 -10.406 4.871 428 1HG GLU 72 HG2 GLU 72 -16.087 -10.213 3.809 429 2HG GLU 72 HG1 GLU 72 -15.434 -11.313 2.593 430 H ILE 73 HN ILE 73 -12.440 -12.046 6.004 431 HA ILE 73 HA ILE 73 -10.437 -10.191 6.216 432 HB ILE 73 HB ILE 73 -11.246 -11.894 7.961 433 1HG1 ILE 73 HG12 ILE 73 -8.573 -11.996 8.679 434 2HG1 ILE 73 HG11 ILE 73 -8.645 -10.621 7.576 435 1HG2 ILE 73 HG22 ILE 73 -10.607 -13.872 6.506 436 2HG2 ILE 73 HG21 ILE 73 -8.922 -13.492 6.855 437 3HG2 ILE 73 HG23 ILE 73 -10.012 -13.951 8.164 438 1HD1 ILE 73 HD12 ILE 73 -10.882 -10.171 9.046 439 2HD1 ILE 73 HD11 ILE 73 -9.866 -10.956 10.256 440 3HD1 ILE 73 HD13 ILE 73 -9.305 -9.490 9.449 441 H THR 74 HN THR 74 -10.077 -13.431 4.762 442 HA THR 74 HA THR 74 -7.286 -13.299 4.274 443 HB THR 74 HB THR 74 -9.532 -14.686 2.799 444 HG1 THR 74 HG1 THR 74 -7.390 -15.603 4.414 445 1HG2 THR 74 HG22 THR 74 -6.753 -14.246 1.975 446 2HG2 THR 74 HG21 THR 74 -7.193 -15.952 2.051 447 3HG2 THR 74 HG23 THR 74 -8.120 -14.846 1.038 448 H LEU 75 HN LEU 75 -10.012 -12.252 2.210 449 HA LEU 75 HA LEU 75 -8.284 -11.245 0.134 450 1HB LEU 75 HB2 LEU 75 -10.275 -11.282 -0.919 451 2HB LEU 75 HB1 LEU 75 -11.150 -11.379 0.601 452 HG LEU 75 HG LEU 75 -10.029 -8.750 -0.381 453 1HD1 LEU 75 HD12 LEU 75 -11.720 -10.103 -1.961 454 2HD1 LEU 75 HD11 LEU 75 -12.900 -9.455 -0.820 455 3HD1 LEU 75 HD13 LEU 75 -11.862 -8.357 -1.733 456 1HD2 LEU 75 HD21 LEU 75 -11.538 -9.690 1.887 457 2HD2 LEU 75 HD23 LEU 75 -10.945 -8.061 1.565 458 3HD2 LEU 75 HD22 LEU 75 -12.525 -8.559 0.963 459 H ILE 76 HN ILE 76 -9.929 -9.595 2.870 460 HA ILE 76 HA ILE 76 -9.004 -6.986 2.239 461 HB ILE 76 HB ILE 76 -9.363 -8.205 4.999 462 1HG1 ILE 76 HG12 ILE 76 -11.324 -6.596 3.338 463 2HG1 ILE 76 HG11 ILE 76 -11.344 -8.358 3.433 464 1HG2 ILE 76 HG23 ILE 76 -8.910 -5.434 3.963 465 2HG2 ILE 76 HG22 ILE 76 -9.990 -5.643 5.341 466 3HG2 ILE 76 HG21 ILE 76 -8.316 -6.188 5.442 467 1HD1 ILE 76 HD13 ILE 76 -11.207 -7.070 6.063 468 2HD1 ILE 76 HD12 ILE 76 -12.667 -6.656 5.164 469 3HD1 ILE 76 HD11 ILE 76 -12.282 -8.346 5.492 470 H ILE 77 HN ILE 77 -7.486 -9.540 4.222 471 HA ILE 77 HA ILE 77 -5.093 -8.131 4.842 472 HB ILE 77 HB ILE 77 -5.581 -11.092 4.381 473 1HG1 ILE 77 HG12 ILE 77 -5.211 -9.524 6.952 474 2HG1 ILE 77 HG11 ILE 77 -6.788 -9.935 6.276 475 1HG2 ILE 77 HG22 ILE 77 -3.112 -9.697 4.548 476 2HG2 ILE 77 HG21 ILE 77 -3.345 -10.509 6.097 477 3HG2 ILE 77 HG23 ILE 77 -3.368 -11.441 4.600 478 1HD1 ILE 77 HD13 ILE 77 -5.848 -12.376 6.230 479 2HD1 ILE 77 HD12 ILE 77 -4.685 -11.764 7.406 480 3HD1 ILE 77 HD11 ILE 77 -6.411 -11.707 7.762 481 H PHE 78 HN PHE 78 -5.905 -10.257 2.110 482 HA PHE 78 HA PHE 78 -3.431 -10.112 0.741 483 1HB PHE 78 HB2 PHE 78 -6.185 -10.877 0.062 484 2HB PHE 78 HB1 PHE 78 -5.292 -10.207 -1.301 485 HD1 PHE 78 HD2 PHE 78 -3.178 -11.243 -2.062 486 HD2 PHE 78 HD1 PHE 78 -5.542 -12.979 1.078 487 HE1 PHE 78 HE2 PHE 78 -1.927 -13.372 -2.296 488 HE2 PHE 78 HE1 PHE 78 -4.290 -15.107 0.843 489 HZ PHE 78 HZ PHE 78 -2.483 -15.304 -0.844 490 H GLY 79 HN GLY 79 -6.305 -7.987 0.418 491 1HA GLY 79 HA2 GLY 79 -5.255 -6.312 -1.611 492 2HA GLY 79 HA1 GLY 79 -6.430 -5.785 -0.403 493 H VAL 80 HN VAL 80 -4.988 -6.000 1.951 494 HA VAL 80 HA VAL 80 -3.420 -3.628 1.967 495 HB VAL 80 HB VAL 80 -3.349 -5.997 3.864 496 1HG1 VAL 80 HG12 VAL 80 -1.676 -3.686 3.698 497 2HG1 VAL 80 HG11 VAL 80 -2.726 -3.495 5.102 498 3HG1 VAL 80 HG13 VAL 80 -1.701 -4.922 4.956 499 1HG2 VAL 80 HG21 VAL 80 -5.488 -4.445 3.343 500 2HG2 VAL 80 HG23 VAL 80 -5.133 -5.035 4.967 501 3HG2 VAL 80 HG22 VAL 80 -4.672 -3.397 4.503 502 H MET 81 HN MET 81 -2.421 -7.051 1.863 503 HA MET 81 HA MET 81 0.386 -6.627 1.745 504 1HB MET 81 HB2 MET 81 -1.357 -8.803 0.550 505 2HB MET 81 HB1 MET 81 0.407 -8.853 0.523 506 1HG MET 81 HG2 MET 81 -0.245 -8.230 3.176 507 2HG MET 81 HG1 MET 81 -1.410 -9.468 2.706 508 1HE MET 81 HE1 MET 81 -1.147 -11.458 1.947 509 2HE MET 81 HE3 MET 81 0.269 -12.518 1.926 510 3HE MET 81 HE2 MET 81 -0.505 -12.107 3.454 511 H ALA 82 HN ALA 82 -2.037 -6.869 -0.840 512 HA ALA 82 HA ALA 82 -0.305 -6.534 -3.045 513 1HB ALA 82 HB2 ALA 82 -3.182 -6.404 -2.575 514 2HB ALA 82 HB1 ALA 82 -2.663 -5.217 -3.776 515 3HB ALA 82 HB3 ALA 82 -2.304 -6.925 -4.010 516 H GLY 83 HN GLY 83 -1.990 -4.029 -1.084 517 1HA GLY 83 HA2 GLY 83 -1.100 -1.792 -2.575 518 2HA GLY 83 HA1 GLY 83 -1.451 -1.757 -0.844 519 H VAL 84 HN VAL 84 0.467 -3.474 0.180 520 HA VAL 84 HA VAL 84 2.795 -1.844 0.289 521 HB VAL 84 HB VAL 84 2.505 -4.823 0.799 522 1HG1 VAL 84 HG11 VAL 84 4.833 -3.125 0.708 523 2HG1 VAL 84 HG13 VAL 84 4.565 -3.671 2.364 524 3HG1 VAL 84 HG12 VAL 84 4.739 -4.850 1.064 525 1HG2 VAL 84 HG22 VAL 84 1.634 -2.474 2.216 526 2HG2 VAL 84 HG21 VAL 84 1.419 -4.166 2.661 527 3HG2 VAL 84 HG23 VAL 84 2.869 -3.298 3.167 528 H ILE 85 HN ILE 85 2.149 -4.802 -1.605 529 HA ILE 85 HA ILE 85 4.637 -4.963 -2.940 530 HB ILE 85 HB ILE 85 1.842 -5.783 -3.751 531 1HG1 ILE 85 HG12 ILE 85 3.938 -7.801 -3.431 532 2HG1 ILE 85 HG11 ILE 85 3.707 -6.837 -1.971 533 1HG2 ILE 85 HG22 ILE 85 4.463 -6.290 -5.197 534 2HG2 ILE 85 HG21 ILE 85 2.934 -7.085 -5.572 535 3HG2 ILE 85 HG23 ILE 85 3.105 -5.345 -5.807 536 1HD1 ILE 85 HD13 ILE 85 1.224 -7.724 -3.328 537 2HD1 ILE 85 HD12 ILE 85 2.185 -9.000 -2.582 538 3HD1 ILE 85 HD11 ILE 85 1.604 -7.650 -1.607 539 H GLY 86 HN GLY 86 1.657 -3.228 -3.914 540 1HA GLY 86 HA2 GLY 86 2.603 -2.231 -6.384 541 2HA GLY 86 HA1 GLY 86 1.397 -1.416 -5.385 542 H THR 87 HN THR 87 2.863 -0.803 -3.119 543 HA THR 87 HA THR 87 4.234 1.562 -3.867 544 HB THR 87 HB THR 87 4.742 -0.048 -1.349 545 HG1 THR 87 HG1 THR 87 2.538 0.235 -1.596 546 1HG2 THR 87 HG23 THR 87 5.104 2.824 -2.177 547 2HG2 THR 87 HG22 THR 87 4.901 2.396 -0.478 548 3HG2 THR 87 HG21 THR 87 6.260 1.746 -1.395 549 H ILE 88 HN ILE 88 5.543 -1.656 -2.999 550 HA ILE 88 HA ILE 88 8.291 -1.014 -3.263 551 HB ILE 88 HB ILE 88 6.804 -3.595 -3.811 552 1HG1 ILE 88 HG12 ILE 88 8.447 -2.565 -1.476 553 2HG1 ILE 88 HG11 ILE 88 6.704 -2.837 -1.493 554 1HG2 ILE 88 HG21 ILE 88 8.944 -3.557 -5.044 555 2HG2 ILE 88 HG23 ILE 88 9.789 -3.109 -3.562 556 3HG2 ILE 88 HG22 ILE 88 9.014 -4.688 -3.693 557 1HD1 ILE 88 HD11 ILE 88 8.616 -5.076 -2.133 558 2HD1 ILE 88 HD13 ILE 88 8.218 -4.680 -0.461 559 3HD1 ILE 88 HD12 ILE 88 6.945 -5.179 -1.576 560 H LEU 89 HN LEU 89 6.023 -2.219 -5.763 561 HA LEU 89 HA LEU 89 7.909 -2.283 -7.892 562 1HB LEU 89 HB2 LEU 89 5.178 -1.346 -8.631 563 2HB LEU 89 HB1 LEU 89 6.152 -2.637 -9.322 564 HG LEU 89 HG LEU 89 4.477 -2.719 -6.815 565 1HD1 LEU 89 HD11 LEU 89 4.159 -3.553 -9.539 566 2HD1 LEU 89 HD13 LEU 89 4.229 -4.989 -8.516 567 3HD1 LEU 89 HD12 LEU 89 3.028 -3.738 -8.198 568 1HD2 LEU 89 HD22 LEU 89 6.944 -4.173 -7.504 569 2HD2 LEU 89 HD21 LEU 89 6.119 -4.056 -5.952 570 3HD2 LEU 89 HD23 LEU 89 5.586 -5.238 -7.144 571 H LEU 90 HN LEU 90 5.787 0.357 -6.768 572 HA LEU 90 HA LEU 90 6.590 2.298 -8.689 573 1HB LEU 90 HB2 LEU 90 4.724 2.669 -7.111 574 2HB LEU 90 HB1 LEU 90 5.869 2.734 -5.769 575 HG LEU 90 HG LEU 90 6.921 4.713 -6.676 576 1HD1 LEU 90 HD11 LEU 90 5.193 4.084 -9.067 577 2HD1 LEU 90 HD13 LEU 90 5.802 5.717 -8.795 578 3HD1 LEU 90 HD12 LEU 90 6.931 4.380 -9.012 579 1HD2 LEU 90 HD21 LEU 90 3.893 4.881 -6.794 580 2HD2 LEU 90 HD23 LEU 90 4.904 5.139 -5.373 581 3HD2 LEU 90 HD22 LEU 90 4.965 6.279 -6.716 582 H ILE 91 HN ILE 91 7.991 1.540 -5.488 583 HA ILE 91 HA ILE 91 10.075 3.466 -5.539 584 HB ILE 91 HB ILE 91 9.988 0.691 -4.316 585 1HG1 ILE 91 HG12 ILE 91 9.659 3.456 -3.104 586 2HG1 ILE 91 HG11 ILE 91 8.330 2.359 -3.481 587 1HG2 ILE 91 HG22 ILE 91 11.983 2.948 -3.966 588 2HG2 ILE 91 HG21 ILE 91 11.876 1.549 -2.898 589 3HG2 ILE 91 HG23 ILE 91 12.313 1.333 -4.592 590 1HD1 ILE 91 HD13 ILE 91 9.618 0.645 -2.013 591 2HD1 ILE 91 HD12 ILE 91 10.492 2.050 -1.403 592 3HD1 ILE 91 HD11 ILE 91 8.743 1.942 -1.198 593 H SER 92 HN SER 92 10.065 0.090 -6.738 594 HA SER 92 HA SER 92 12.746 0.070 -7.666 595 1HB SER 92 HB2 SER 92 12.079 -1.762 -9.100 596 2HB SER 92 HB1 SER 92 11.180 -1.914 -7.593 597 HG SER 92 HG SER 92 9.539 -1.963 -8.927 598 H TYR 93 HN TYR 93 9.741 1.033 -9.351 599 HA TYR 93 HA TYR 93 10.946 1.784 -11.810 600 1HB TYR 93 HB2 TYR 93 8.383 2.087 -10.544 601 2HB TYR 93 HB1 TYR 93 8.856 3.631 -11.254 602 HD1 TYR 93 HD2 TYR 93 8.631 -0.023 -12.020 603 HD2 TYR 93 HD1 TYR 93 8.662 3.981 -13.573 604 HE1 TYR 93 HE2 TYR 93 8.084 -0.894 -14.277 605 HE2 TYR 93 HE1 TYR 93 8.114 3.111 -15.831 606 HH TYR 93 HH TYR 93 7.004 1.057 -16.788 607 H GLY 94 HN GLY 94 10.312 3.748 -8.881 608 1HA GLY 94 HA2 GLY 94 11.388 6.186 -9.845 609 2HA GLY 94 HA1 GLY 94 11.347 5.719 -8.143 610 H ILE 95 HN ILE 95 12.994 3.511 -8.096 611 HA ILE 95 HA ILE 95 15.593 4.658 -8.029 612 HB ILE 95 HB ILE 95 14.589 1.814 -8.044 613 1HG1 ILE 95 HG12 ILE 95 16.369 2.551 -5.910 614 2HG1 ILE 95 HG11 ILE 95 15.152 3.812 -6.096 615 1HG2 ILE 95 HG21 ILE 95 17.489 2.709 -8.069 616 2HG2 ILE 95 HG23 ILE 95 16.946 1.083 -7.656 617 3HG2 ILE 95 HG22 ILE 95 16.693 1.711 -9.285 618 1HD1 ILE 95 HD12 ILE 95 13.614 1.566 -6.337 619 2HD1 ILE 95 HD11 ILE 95 14.845 1.013 -5.202 620 3HD1 ILE 95 HD13 ILE 95 13.867 2.429 -4.820 621 H ARG 96 HN ARG 96 14.095 2.572 -10.518 622 HA ARG 96 HA ARG 96 16.313 2.451 -12.276 623 1HB ARG 96 HB2 ARG 96 13.332 2.343 -12.732 624 2HB ARG 96 HB1 ARG 96 14.461 2.260 -14.084 625 1HG ARG 96 HG2 ARG 96 15.557 0.471 -12.298 626 2HG ARG 96 HG1 ARG 96 13.826 0.233 -12.053 627 1HD ARG 96 HD2 ARG 96 15.328 0.072 -14.680 628 2HD ARG 96 HD1 ARG 96 14.547 -1.256 -13.824 629 HE ARG 96 HE ARG 96 12.494 0.558 -14.249 630 1HH1 ARG 96 HH11 ARG 96 13.005 -2.185 -15.627 631 2HH1 ARG 96 HH12 ARG 96 12.836 -1.724 -17.287 632 1HH2 ARG 96 HH21 ARG 96 13.075 1.674 -16.644 633 2HH2 ARG 96 HH22 ARG 96 12.876 0.460 -17.864 634 H ARG 97 HN ARG 97 13.651 4.845 -12.170 635 HA ARG 97 HA ARG 97 14.542 6.394 -14.361 636 1HB ARG 97 HB2 ARG 97 12.348 6.673 -13.160 637 2HB ARG 97 HB1 ARG 97 13.227 7.473 -11.856 638 1HG ARG 97 HG2 ARG 97 13.691 9.346 -13.129 639 2HG ARG 97 HG1 ARG 97 13.667 8.449 -14.647 640 1HD ARG 97 HD2 ARG 97 11.160 8.149 -14.279 641 2HD ARG 97 HD1 ARG 97 11.301 9.346 -12.990 642 HE ARG 97 HE ARG 97 12.493 10.580 -15.165 643 1HH1 ARG 97 HH21 ARG 97 9.518 10.466 -13.784 644 2HH1 ARG 97 HH22 ARG 97 8.605 10.807 -15.216 645 1HH2 ARG 97 HH11 ARG 97 11.306 10.402 -17.353 646 2HH2 ARG 97 HH12 ARG 97 9.618 10.770 -17.238 647 H LEU 98 HN LEU 98 15.332 6.718 -10.904 648 HA LEU 98 HA LEU 98 17.016 8.981 -11.099 649 1HB LEU 98 HB2 LEU 98 16.562 6.813 -9.165 650 2HB LEU 98 HB1 LEU 98 18.191 7.488 -9.109 651 HG LEU 98 HG LEU 98 16.220 9.598 -9.383 652 1HD1 LEU 98 HD11 LEU 98 15.784 7.489 -7.300 653 2HD1 LEU 98 HD13 LEU 98 15.519 9.176 -6.860 654 3HD1 LEU 98 HD12 LEU 98 14.597 8.455 -8.179 655 1HD2 LEU 98 HD22 LEU 98 18.253 8.856 -7.254 656 2HD2 LEU 98 HD21 LEU 98 18.514 9.947 -8.614 657 3HD2 LEU 98 HD23 LEU 98 17.396 10.396 -7.326 658 H ILE 99 HN ILE 99 17.889 5.523 -11.332 659 HA ILE 99 HA ILE 99 20.677 6.169 -11.919 660 HB ILE 99 HB ILE 99 20.816 3.680 -12.376 661 1HG1 ILE 99 HG12 ILE 99 18.368 2.933 -11.135 662 2HG1 ILE 99 HG11 ILE 99 17.966 4.041 -12.445 663 1HG2 ILE 99 HG23 ILE 99 20.414 5.102 -9.940 664 2HG2 ILE 99 HG22 ILE 99 19.578 3.556 -9.793 665 3HG2 ILE 99 HG21 ILE 99 21.298 3.595 -10.181 666 1HD1 ILE 99 HD11 ILE 99 19.794 1.646 -12.759 667 2HD1 ILE 99 HD13 ILE 99 18.079 1.641 -13.170 668 3HD1 ILE 99 HD12 ILE 99 19.193 2.694 -14.044 669 H LYS 100 HN LYS 100 17.807 5.994 -13.776 670 HA LYS 100 HA LYS 100 19.360 6.408 -16.233 671 1HB LYS 100 HB2 LYS 100 18.411 3.796 -15.561 672 2HB LYS 100 HB1 LYS 100 17.453 4.394 -16.915 673 1HG LYS 100 HG2 LYS 100 20.164 5.127 -17.396 674 2HG LYS 100 HG1 LYS 100 20.145 3.421 -16.947 675 1HD LYS 100 HD2 LYS 100 18.361 4.665 -19.059 676 2HD LYS 100 HD1 LYS 100 19.838 3.763 -19.399 677 1HE LYS 100 HE2 LYS 100 18.923 1.734 -18.690 678 2HE LYS 100 HE1 LYS 100 17.699 2.521 -17.693 679 1HZ LYS 100 HZ2 LYS 100 17.349 3.349 -20.343 680 2HZ LYS 100 HZ1 LYS 100 17.476 1.655 -20.341 681 3HZ LYS 100 HZ3 LYS 100 16.300 2.416 -19.384 682 H LYS 101 HN LYS 101 18.117 7.450 -17.834 683 HA LYS 101 HA LYS 101 16.245 8.548 -18.758 684 1HB LYS 101 HB2 LYS 101 15.140 6.329 -17.431 685 2HB LYS 101 HB1 LYS 101 14.211 7.718 -16.864 686 1HG LYS 101 HG2 LYS 101 13.423 8.233 -18.983 687 2HG LYS 101 HG1 LYS 101 14.813 7.503 -19.790 688 1HD LYS 101 HD2 LYS 101 14.000 5.290 -19.398 689 2HD LYS 101 HD1 LYS 101 12.776 5.866 -18.266 690 1HE LYS 101 HE2 LYS 101 11.416 5.729 -20.099 691 2HE LYS 101 HE1 LYS 101 12.103 7.312 -20.460 692 1HZ LYS 101 HZ3 LYS 101 13.957 5.842 -21.550 693 2HZ LYS 101 HZ2 LYS 101 12.698 4.707 -21.658 694 3HZ LYS 101 HZ1 LYS 101 12.540 6.229 -22.397 No H/Q in entry = 694 Start of MODEL 6 1 1H VAL 62 HT1 VAL 62 -31.661 -1.953 -9.030 2 2H VAL 62 HT3 VAL 62 -30.777 -0.598 -9.542 3 3H VAL 62 HT2 VAL 62 -32.163 -0.392 -8.583 4 HA VAL 62 HA VAL 62 -33.610 -0.811 -10.287 5 HB VAL 62 HB VAL 62 -31.110 0.348 -11.550 6 1HG1 VAL 62 HG12 VAL 62 -32.771 -0.587 -13.199 7 2HG1 VAL 62 HG11 VAL 62 -33.974 0.516 -12.529 8 3HG1 VAL 62 HG13 VAL 62 -32.537 1.157 -13.329 9 1HG2 VAL 62 HG22 VAL 62 -33.597 1.594 -10.337 10 2HG2 VAL 62 HG21 VAL 62 -31.966 1.655 -9.667 11 3HG2 VAL 62 HG23 VAL 62 -32.333 2.494 -11.175 12 H GLN 63 HN GLN 63 -30.532 -2.413 -10.672 13 HA GLN 63 HA GLN 63 -31.838 -4.565 -12.175 14 1HB GLN 63 HB2 GLN 63 -29.903 -4.395 -13.931 15 2HB GLN 63 HB1 GLN 63 -31.317 -3.357 -14.116 16 1HG GLN 63 HG2 GLN 63 -30.117 -1.474 -13.740 17 2HG GLN 63 HG1 GLN 63 -29.265 -2.194 -12.374 18 1HE2 GLN 63 HE22 GLN 63 -26.447 -3.175 -14.299 19 2HE2 GLN 63 HE21 GLN 63 -27.235 -3.299 -12.800 20 H LEU 64 HN LEU 64 -31.177 -6.061 -10.644 21 HA LEU 64 HA LEU 64 -29.710 -7.427 -9.416 22 1HB LEU 64 HB2 LEU 64 -28.224 -6.727 -11.918 23 2HB LEU 64 HB1 LEU 64 -27.346 -7.543 -10.625 24 HG LEU 64 HG LEU 64 -29.299 -9.218 -10.586 25 1HD1 LEU 64 HD12 LEU 64 -30.120 -7.403 -12.714 26 2HD1 LEU 64 HD11 LEU 64 -30.030 -9.072 -13.280 27 3HD1 LEU 64 HD13 LEU 64 -31.050 -8.663 -11.899 28 1HD2 LEU 64 HD22 LEU 64 -27.083 -8.920 -12.507 29 2HD2 LEU 64 HD21 LEU 64 -27.523 -10.304 -11.505 30 3HD2 LEU 64 HD23 LEU 64 -28.348 -10.029 -13.040 31 H ALA 65 HN ALA 65 -27.091 -5.393 -10.598 32 HA ALA 65 HA ALA 65 -27.020 -3.764 -8.176 33 1HB ALA 65 HB3 ALA 65 -24.941 -5.918 -8.655 34 2HB ALA 65 HB2 ALA 65 -24.750 -4.601 -7.498 35 3HB ALA 65 HB1 ALA 65 -26.032 -5.791 -7.275 36 H HIS 66 HN HIS 66 -26.141 -1.812 -8.785 37 HA HIS 66 HA HIS 66 -25.228 -1.290 -11.411 38 1HB HIS 66 HB2 HIS 66 -24.736 0.182 -8.809 39 2HB HIS 66 HB1 HIS 66 -24.235 0.810 -10.378 40 HD1 HIS 66 HD1 HIS 66 -26.596 0.178 -12.141 41 HD2 HIS 66 HD2 HIS 66 -27.052 1.585 -8.243 42 HE1 HIS 66 HE1 HIS 66 -28.905 1.211 -12.019 43 H HIS 67 HN HIS 67 -23.053 -0.885 -8.619 44 HA HIS 67 HA HIS 67 -21.100 -2.773 -9.681 45 1HB HIS 67 HB2 HIS 67 -20.678 -0.906 -11.202 46 2HB HIS 67 HB1 HIS 67 -20.554 0.207 -9.839 47 HD1 HIS 67 HD1 HIS 67 -18.066 0.767 -10.346 48 HD2 HIS 67 HD2 HIS 67 -18.759 -3.276 -9.606 49 HE1 HIS 67 HE1 HIS 67 -15.794 -0.301 -10.013 50 H PHE 68 HN PHE 68 -20.854 0.279 -7.826 51 HA PHE 68 HA PHE 68 -19.428 -1.163 -5.694 52 1HB PHE 68 HB2 PHE 68 -19.743 1.612 -6.548 53 2HB PHE 68 HB1 PHE 68 -19.915 1.434 -4.802 54 HD1 PHE 68 HD2 PHE 68 -17.834 -0.408 -7.320 55 HD2 PHE 68 HD1 PHE 68 -17.897 2.031 -3.785 56 HE1 PHE 68 HE2 PHE 68 -15.376 -0.663 -7.101 57 HE2 PHE 68 HE1 PHE 68 -15.440 1.778 -3.566 58 HZ PHE 68 HZ PHE 68 -14.180 0.431 -5.224 59 H SER 69 HN SER 69 -20.604 -2.185 -4.116 60 HA SER 69 HA SER 69 -22.663 -0.825 -2.637 61 1HB SER 69 HB2 SER 69 -24.603 -2.122 -3.323 62 2HB SER 69 HB1 SER 69 -23.917 -1.340 -4.745 63 HG SER 69 HG SER 69 -24.146 -3.404 -5.364 64 H GLU 70 HN GLU 70 -20.263 -2.350 -2.104 65 HA GLU 70 HA GLU 70 -21.454 -4.358 -0.279 66 1HB GLU 70 HB2 GLU 70 -19.284 -4.934 -2.310 67 2HB GLU 70 HB1 GLU 70 -19.603 -5.972 -0.921 68 1HG GLU 70 HG2 GLU 70 -22.125 -5.640 -1.943 69 2HG GLU 70 HG1 GLU 70 -21.146 -5.642 -3.410 70 HA PRO 71 HA PRO 71 -18.615 -2.358 2.448 71 1HB PRO 71 HB2 PRO 71 -18.586 -4.593 4.238 72 2HB PRO 71 HB1 PRO 71 -19.531 -3.106 4.386 73 1HG PRO 71 HG2 PRO 71 -20.486 -5.752 3.719 74 2HG PRO 71 HG1 PRO 71 -21.431 -4.269 3.909 75 1HD PRO 71 HD2 PRO 71 -20.780 -5.645 1.461 76 2HD PRO 71 HD1 PRO 71 -21.723 -4.153 1.656 77 H GLU 72 HN GLU 72 -18.161 -5.739 1.483 78 HA GLU 72 HA GLU 72 -15.589 -6.280 2.356 79 1HB GLU 72 HB2 GLU 72 -15.321 -7.504 0.092 80 2HB GLU 72 HB1 GLU 72 -16.657 -7.998 1.132 81 1HG GLU 72 HG2 GLU 72 -18.030 -7.600 -0.611 82 2HG GLU 72 HG1 GLU 72 -17.694 -5.884 -0.385 83 H ILE 73 HN ILE 73 -16.304 -4.719 -0.804 84 HA ILE 73 HA ILE 73 -13.635 -4.076 -1.433 85 HB ILE 73 HB ILE 73 -15.807 -3.859 -2.856 86 1HG1 ILE 73 HG12 ILE 73 -14.508 -1.608 -3.813 87 2HG1 ILE 73 HG11 ILE 73 -13.254 -2.444 -2.897 88 1HG2 ILE 73 HG23 ILE 73 -16.616 -2.064 -1.082 89 2HG2 ILE 73 HG22 ILE 73 -15.660 -0.968 -2.079 90 3HG2 ILE 73 HG21 ILE 73 -16.999 -1.866 -2.791 91 1HD1 ILE 73 HD13 ILE 73 -14.253 -4.569 -4.147 92 2HD1 ILE 73 HD12 ILE 73 -14.748 -3.350 -5.321 93 3HD1 ILE 73 HD11 ILE 73 -13.042 -3.545 -4.919 94 H THR 74 HN THR 74 -15.942 -2.398 0.650 95 HA THR 74 HA THR 74 -14.476 0.047 0.914 96 HB THR 74 HB THR 74 -16.085 -1.124 3.172 97 HG1 THR 74 HG1 THR 74 -17.824 0.023 1.801 98 1HG2 THR 74 HG21 THR 74 -15.016 1.110 3.392 99 2HG2 THR 74 HG23 THR 74 -15.907 1.653 1.970 100 3HG2 THR 74 HG22 THR 74 -16.777 1.206 3.437 101 H LEU 75 HN LEU 75 -14.460 -2.924 2.905 102 HA LEU 75 HA LEU 75 -12.343 -1.915 4.634 103 1HB LEU 75 HB2 LEU 75 -14.164 -3.898 4.940 104 2HB LEU 75 HB1 LEU 75 -12.771 -4.847 4.420 105 HG LEU 75 HG LEU 75 -12.980 -3.008 6.811 106 1HD1 LEU 75 HD11 LEU 75 -13.573 -5.598 6.688 107 2HD1 LEU 75 HD13 LEU 75 -11.822 -5.768 6.812 108 3HD1 LEU 75 HD12 LEU 75 -12.720 -4.929 8.078 109 1HD2 LEU 75 HD23 LEU 75 -10.523 -4.163 5.461 110 2HD2 LEU 75 HD22 LEU 75 -10.858 -2.467 5.809 111 3HD2 LEU 75 HD21 LEU 75 -10.522 -3.588 7.129 112 H ILE 76 HN ILE 76 -12.467 -4.299 1.967 113 HA ILE 76 HA ILE 76 -9.714 -4.973 2.015 114 HB ILE 76 HB ILE 76 -11.448 -4.703 -0.461 115 1HG1 ILE 76 HG12 ILE 76 -11.055 -7.190 1.215 116 2HG1 ILE 76 HG11 ILE 76 -12.402 -6.086 1.492 117 1HG2 ILE 76 HG23 ILE 76 -8.851 -5.114 -0.515 118 2HG2 ILE 76 HG22 ILE 76 -9.292 -6.745 -0.005 119 3HG2 ILE 76 HG21 ILE 76 -9.909 -6.098 -1.525 120 1HD1 ILE 76 HD13 ILE 76 -11.811 -7.220 -1.242 121 2HD1 ILE 76 HD12 ILE 76 -12.847 -8.060 -0.088 122 3HD1 ILE 76 HD11 ILE 76 -13.297 -6.460 -0.676 123 H ILE 77 HN ILE 77 -11.398 -2.371 0.226 124 HA ILE 77 HA ILE 77 -9.087 -1.269 -1.009 125 HB ILE 77 HB ILE 77 -11.660 0.016 -0.052 126 1HG1 ILE 77 HG12 ILE 77 -11.657 -1.664 -1.962 127 2HG1 ILE 77 HG11 ILE 77 -12.281 -0.067 -2.376 128 1HG2 ILE 77 HG22 ILE 77 -9.267 1.195 -1.464 129 2HG2 ILE 77 HG21 ILE 77 -10.880 1.877 -1.672 130 3HG2 ILE 77 HG23 ILE 77 -10.142 1.831 -0.071 131 1HD1 ILE 77 HD12 ILE 77 -9.355 -0.506 -2.727 132 2HD1 ILE 77 HD11 ILE 77 -10.428 -1.305 -3.876 133 3HD1 ILE 77 HD13 ILE 77 -10.473 0.449 -3.701 134 H PHE 78 HN PHE 78 -10.610 -0.531 2.135 135 HA PHE 78 HA PHE 78 -8.763 1.455 2.978 136 1HB PHE 78 HB2 PHE 78 -10.706 -0.338 4.319 137 2HB PHE 78 HB1 PHE 78 -9.383 0.232 5.335 138 HD1 PHE 78 HD1 PHE 78 -10.896 2.010 2.439 139 HD2 PHE 78 HD2 PHE 78 -10.492 1.829 6.711 140 HE1 PHE 78 HE1 PHE 78 -11.989 4.227 2.635 141 HE2 PHE 78 HE2 PHE 78 -11.586 4.046 6.908 142 HZ PHE 78 HZ PHE 78 -12.333 5.245 4.870 143 H GLY 79 HN GLY 79 -8.680 -2.086 3.483 144 1HA GLY 79 HA2 GLY 79 -6.276 -2.177 4.979 145 2HA GLY 79 HA1 GLY 79 -6.852 -3.490 3.951 146 H VAL 80 HN VAL 80 -6.728 -2.350 1.425 147 HA VAL 80 HA VAL 80 -3.983 -2.610 0.754 148 HB VAL 80 HB VAL 80 -6.149 -1.122 -0.763 149 1HG1 VAL 80 HG11 VAL 80 -3.469 -2.269 -1.598 150 2HG1 VAL 80 HG13 VAL 80 -4.704 -1.730 -2.734 151 3HG1 VAL 80 HG12 VAL 80 -3.952 -0.573 -1.634 152 1HG2 VAL 80 HG23 VAL 80 -6.123 -3.784 -0.035 153 2HG2 VAL 80 HG22 VAL 80 -6.951 -3.139 -1.452 154 3HG2 VAL 80 HG21 VAL 80 -5.334 -3.825 -1.613 155 H MET 81 HN MET 81 -5.964 0.330 1.175 156 HA MET 81 HA MET 81 -3.901 2.221 0.688 157 1HB MET 81 HB2 MET 81 -6.331 2.346 2.495 158 2HB MET 81 HB1 MET 81 -5.287 3.731 2.176 159 1HG MET 81 HG2 MET 81 -5.929 2.506 -0.328 160 2HG MET 81 HG1 MET 81 -7.429 2.745 0.570 161 1HE MET 81 HE1 MET 81 -8.614 4.457 0.769 162 2HE MET 81 HE3 MET 81 -7.748 5.485 1.920 163 3HE MET 81 HE2 MET 81 -8.320 6.154 0.394 164 H ALA 82 HN ALA 82 -4.958 0.694 3.729 165 HA ALA 82 HA ALA 82 -3.118 1.981 5.446 166 1HB ALA 82 HB1 ALA 82 -4.881 -0.344 5.592 167 2HB ALA 82 HB3 ALA 82 -3.392 -0.581 6.514 168 3HB ALA 82 HB2 ALA 82 -4.428 0.804 6.849 169 H GLY 83 HN GLY 83 -2.703 -1.102 3.623 170 1HA GLY 83 HA2 GLY 83 -0.118 -1.707 4.610 171 2HA GLY 83 HA1 GLY 83 -0.715 -2.191 3.021 172 H VAL 84 HN VAL 84 -1.076 0.232 1.761 173 HA VAL 84 HA VAL 84 1.540 0.899 0.897 174 HB VAL 84 HB VAL 84 -1.021 2.515 0.758 175 1HG1 VAL 84 HG13 VAL 84 1.182 3.809 0.518 176 2HG1 VAL 84 HG12 VAL 84 1.454 2.863 -0.944 177 3HG1 VAL 84 HG11 VAL 84 0.054 3.929 -0.832 178 1HG2 VAL 84 HG22 VAL 84 0.234 0.344 -0.849 179 2HG2 VAL 84 HG21 VAL 84 -1.472 0.719 -0.605 180 3HG2 VAL 84 HG23 VAL 84 -0.519 1.658 -1.752 181 H ILE 85 HN ILE 85 -0.589 2.628 3.203 182 HA ILE 85 HA ILE 85 1.162 4.777 3.764 183 HB ILE 85 HB ILE 85 -0.856 3.365 5.526 184 1HG1 ILE 85 HG12 ILE 85 -1.080 6.112 4.313 185 2HG1 ILE 85 HG11 ILE 85 -1.456 4.687 3.345 186 1HG2 ILE 85 HG22 ILE 85 0.833 5.823 5.990 187 2HG2 ILE 85 HG21 ILE 85 -0.723 5.612 6.795 188 3HG2 ILE 85 HG23 ILE 85 0.576 4.451 7.068 189 1HD1 ILE 85 HD12 ILE 85 -2.870 4.040 5.515 190 2HD1 ILE 85 HD11 ILE 85 -2.883 5.792 5.725 191 3HD1 ILE 85 HD13 ILE 85 -3.541 5.074 4.254 192 H GLY 86 HN GLY 86 0.924 1.596 5.412 193 1HA GLY 86 HA2 GLY 86 2.953 2.058 7.335 194 2HA GLY 86 HA1 GLY 86 2.530 0.466 6.702 195 H THR 87 HN THR 87 3.199 0.697 4.047 196 HA THR 87 HA THR 87 5.997 0.257 4.030 197 HB THR 87 HB THR 87 4.342 1.181 1.667 198 HG1 THR 87 HG1 THR 87 3.307 -0.547 2.631 199 1HG2 THR 87 HG23 THR 87 7.017 -0.049 2.071 200 2HG2 THR 87 HG22 THR 87 6.059 -0.678 0.730 201 3HG2 THR 87 HG21 THR 87 6.458 1.039 0.798 202 H ILE 88 HN ILE 88 4.143 3.157 3.075 203 HA ILE 88 HA ILE 88 6.336 4.754 2.272 204 HB ILE 88 HB ILE 88 3.702 5.510 3.564 205 1HG1 ILE 88 HG12 ILE 88 4.632 5.861 0.704 206 2HG1 ILE 88 HG11 ILE 88 3.810 4.399 1.254 207 1HG2 ILE 88 HG22 ILE 88 6.067 7.133 2.850 208 2HG2 ILE 88 HG21 ILE 88 4.540 7.730 2.200 209 3HG2 ILE 88 HG23 ILE 88 4.731 7.507 3.940 210 1HD1 ILE 88 HD13 ILE 88 2.110 6.222 2.253 211 2HD1 ILE 88 HD12 ILE 88 2.739 7.158 0.896 212 3HD1 ILE 88 HD11 ILE 88 1.959 5.603 0.608 213 H LEU 89 HN LEU 89 4.858 4.430 5.521 214 HA LEU 89 HA LEU 89 6.581 6.262 6.828 215 1HB LEU 89 HB2 LEU 89 5.525 5.595 8.730 216 2HB LEU 89 HB1 LEU 89 4.479 4.705 7.633 217 HG LEU 89 HG LEU 89 6.144 2.758 7.890 218 1HD1 LEU 89 HD12 LEU 89 7.459 4.771 9.447 219 2HD1 LEU 89 HD11 LEU 89 6.975 3.462 10.525 220 3HD1 LEU 89 HD13 LEU 89 7.992 3.120 9.125 221 1HD2 LEU 89 HD21 LEU 89 3.901 2.863 8.964 222 2HD2 LEU 89 HD23 LEU 89 5.082 2.021 9.966 223 3HD2 LEU 89 HD22 LEU 89 4.628 3.682 10.346 224 H LEU 90 HN LEU 90 6.966 2.758 6.283 225 HA LEU 90 HA LEU 90 9.468 2.454 7.601 226 1HB LEU 90 HB2 LEU 90 8.137 0.543 6.768 227 2HB LEU 90 HB1 LEU 90 8.469 1.036 5.106 228 HG LEU 90 HG LEU 90 10.779 0.624 6.971 229 1HD1 LEU 90 HD12 LEU 90 8.871 -1.380 6.624 230 2HD1 LEU 90 HD11 LEU 90 10.103 -1.758 5.422 231 3HD1 LEU 90 HD13 LEU 90 10.544 -1.618 7.123 232 1HD2 LEU 90 HD21 LEU 90 10.224 0.460 4.010 233 2HD2 LEU 90 HD23 LEU 90 11.434 1.425 4.856 234 3HD2 LEU 90 HD22 LEU 90 11.649 -0.318 4.698 235 H ILE 91 HN ILE 91 8.760 3.293 4.202 236 HA ILE 91 HA ILE 91 11.437 3.490 3.300 237 HB ILE 91 HB ILE 91 9.032 5.141 2.466 238 1HG1 ILE 91 HG12 ILE 91 10.201 2.572 1.346 239 2HG1 ILE 91 HG11 ILE 91 8.696 2.700 2.258 240 1HG2 ILE 91 HG21 ILE 91 11.834 5.091 1.611 241 2HG2 ILE 91 HG23 ILE 91 10.707 4.808 0.284 242 3HG2 ILE 91 HG22 ILE 91 10.574 6.273 1.257 243 1HD1 ILE 91 HD11 ILE 91 7.804 4.241 0.521 244 2HD1 ILE 91 HD13 ILE 91 9.287 4.018 -0.408 245 3HD1 ILE 91 HD12 ILE 91 8.202 2.654 -0.140 246 H SER 92 HN SER 92 9.362 6.036 4.745 247 HA SER 92 HA SER 92 11.283 8.119 4.588 248 1HB SER 92 HB2 SER 92 9.254 7.632 6.794 249 2HB SER 92 HB1 SER 92 10.057 9.162 6.452 250 HG SER 92 HG SER 92 8.742 9.471 4.835 251 H TYR 93 HN TYR 93 10.693 5.723 7.174 252 HA TYR 93 HA TYR 93 12.777 6.556 8.915 253 1HB TYR 93 HB2 TYR 93 10.900 4.634 9.066 254 2HB TYR 93 HB1 TYR 93 12.280 3.632 8.615 255 HD1 TYR 93 HD1 TYR 93 14.539 4.256 9.929 256 HD2 TYR 93 HD2 TYR 93 10.553 5.024 11.334 257 HE1 TYR 93 HE1 TYR 93 15.380 4.363 12.259 258 HE2 TYR 93 HE2 TYR 93 11.395 5.131 13.665 259 HH TYR 93 HH TYR 93 13.168 4.670 15.000 260 H GLY 94 HN GLY 94 12.839 4.155 6.257 261 1HA GLY 94 HA2 GLY 94 15.561 3.411 6.494 262 2HA GLY 94 HA1 GLY 94 14.641 3.355 4.990 263 H ILE 95 HN ILE 95 14.074 6.012 4.549 264 HA ILE 95 HA ILE 95 16.471 6.992 3.381 265 HB ILE 95 HB ILE 95 13.834 8.281 4.078 266 1HG1 ILE 95 HG12 ILE 95 14.729 8.549 1.359 267 2HG1 ILE 95 HG11 ILE 95 14.935 6.873 1.864 268 1HG2 ILE 95 HG23 ILE 95 16.395 9.637 3.543 269 2HG2 ILE 95 HG22 ILE 95 15.088 10.125 2.462 270 3HG2 ILE 95 HG21 ILE 95 14.895 10.287 4.208 271 1HD1 ILE 95 HD12 ILE 95 12.482 7.398 2.913 272 2HD1 ILE 95 HD11 ILE 95 12.450 8.443 1.493 273 3HD1 ILE 95 HD13 ILE 95 12.725 6.711 1.308 274 H ARG 96 HN ARG 96 14.902 7.917 6.458 275 HA ARG 96 HA ARG 96 16.774 9.895 7.242 276 1HB ARG 96 HB2 ARG 96 14.554 9.186 8.388 277 2HB ARG 96 HB1 ARG 96 15.537 7.979 9.219 278 1HG ARG 96 HG2 ARG 96 16.422 9.527 10.599 279 2HG ARG 96 HG1 ARG 96 16.800 10.605 9.254 280 1HD ARG 96 HD2 ARG 96 15.162 11.590 10.878 281 2HD ARG 96 HD1 ARG 96 14.528 11.465 9.237 282 HE ARG 96 HE ARG 96 13.728 9.098 10.434 283 1HH1 ARG 96 HH21 ARG 96 13.528 10.233 13.057 284 2HH1 ARG 96 HH22 ARG 96 12.004 11.054 13.064 285 1HH2 ARG 96 HH11 ARG 96 11.725 11.120 9.608 286 2HH2 ARG 96 HH12 ARG 96 10.983 11.556 11.111 287 H ARG 97 HN ARG 97 16.806 6.376 7.891 288 HA ARG 97 HA ARG 97 19.213 6.360 9.384 289 1HB ARG 97 HB2 ARG 97 17.492 4.418 8.764 290 2HB ARG 97 HB1 ARG 97 18.684 4.097 7.503 291 1HG ARG 97 HG2 ARG 97 19.849 4.594 10.163 292 2HG ARG 97 HG1 ARG 97 18.844 3.148 10.076 293 1HD ARG 97 HD2 ARG 97 21.091 3.798 8.146 294 2HD ARG 97 HD1 ARG 97 21.229 2.688 9.509 295 HE ARG 97 HE ARG 97 19.046 1.733 8.088 296 1HH1 ARG 97 HH21 ARG 97 22.357 1.400 8.155 297 2HH1 ARG 97 HH22 ARG 97 22.513 0.725 6.567 298 1HH2 ARG 97 HH11 ARG 97 19.215 1.344 5.693 299 2HH2 ARG 97 HH12 ARG 97 20.734 0.692 5.174 300 H LEU 98 HN LEU 98 18.735 5.988 5.870 301 HA LEU 98 HA LEU 98 21.445 5.620 5.153 302 1HB LEU 98 HB2 LEU 98 19.004 6.623 3.766 303 2HB LEU 98 HB1 LEU 98 20.559 6.956 3.003 304 HG LEU 98 HG LEU 98 20.005 4.188 4.016 305 1HD1 LEU 98 HD13 LEU 98 18.193 5.384 2.331 306 2HD1 LEU 98 HD12 LEU 98 19.328 4.667 1.187 307 3HD1 LEU 98 HD11 LEU 98 18.520 3.651 2.381 308 1HD2 LEU 98 HD23 LEU 98 21.726 5.537 1.954 309 2HD2 LEU 98 HD22 LEU 98 22.187 4.379 3.203 310 3HD2 LEU 98 HD21 LEU 98 21.329 3.829 1.764 311 H ILE 99 HN ILE 99 19.603 8.669 5.444 312 HA ILE 99 HA ILE 99 21.989 10.267 4.892 313 HB ILE 99 HB ILE 99 20.417 12.165 5.645 314 1HG1 ILE 99 HG12 ILE 99 18.063 10.525 5.168 315 2HG1 ILE 99 HG11 ILE 99 18.949 9.969 6.587 316 1HG2 ILE 99 HG22 ILE 99 20.684 10.756 3.249 317 2HG2 ILE 99 HG21 ILE 99 18.940 10.871 3.487 318 3HG2 ILE 99 HG23 ILE 99 19.924 12.335 3.447 319 1HD1 ILE 99 HD11 ILE 99 19.033 12.430 7.307 320 2HD1 ILE 99 HD13 ILE 99 17.817 12.720 6.063 321 3HD1 ILE 99 HD12 ILE 99 17.463 11.633 7.408 322 H LYS 100 HN LYS 100 20.533 8.850 7.683 323 HA LYS 100 HA LYS 100 22.591 10.179 9.364 324 1HB LYS 100 HB2 LYS 100 19.965 11.028 9.429 325 2HB LYS 100 HB1 LYS 100 20.012 9.844 10.736 326 1HG LYS 100 HG2 LYS 100 20.783 11.643 11.932 327 2HG LYS 100 HG1 LYS 100 22.325 11.145 11.237 328 1HD LYS 100 HD2 LYS 100 21.476 12.680 9.217 329 2HD LYS 100 HD1 LYS 100 20.587 13.464 10.524 330 1HE LYS 100 HE2 LYS 100 22.692 14.596 10.380 331 2HE LYS 100 HE1 LYS 100 22.789 13.556 11.801 332 1HZ LYS 100 HZ2 LYS 100 23.704 12.629 9.151 333 2HZ LYS 100 HZ1 LYS 100 24.727 13.522 10.173 334 3HZ LYS 100 HZ3 LYS 100 24.114 12.026 10.686 335 H LYS 101 HN LYS 101 23.687 8.575 10.379 336 HA LYS 101 HA LYS 101 24.041 6.604 11.630 337 1HB LYS 101 HB2 LYS 101 21.622 7.247 12.472 338 2HB LYS 101 HB1 LYS 101 21.130 5.899 11.445 339 1HG LYS 101 HG2 LYS 101 22.637 4.391 12.631 340 2HG LYS 101 HG1 LYS 101 23.254 5.728 13.602 341 1HD LYS 101 HD2 LYS 101 20.415 5.765 13.820 342 2HD LYS 101 HD1 LYS 101 20.942 4.102 14.084 343 1HE LYS 101 HE2 LYS 101 22.592 4.905 15.753 344 2HE LYS 101 HE1 LYS 101 22.011 6.553 15.515 345 1HZ LYS 101 HZ3 LYS 101 19.965 4.582 16.083 346 2HZ LYS 101 HZ2 LYS 101 21.048 4.883 17.358 347 3HZ LYS 101 HZ1 LYS 101 20.152 6.157 16.681 348 1H VAL 62 HT1 VAL 62 -23.910 -18.792 -0.185 349 2H VAL 62 HT3 VAL 62 -25.435 -19.310 0.349 350 3H VAL 62 HT2 VAL 62 -24.027 -19.936 1.066 351 HA VAL 62 HA VAL 62 -23.495 -21.240 -0.752 352 HB VAL 62 HB VAL 62 -25.609 -21.916 0.494 353 1HG1 VAL 62 HG11 VAL 62 -26.870 -19.943 -0.680 354 2HG1 VAL 62 HG13 VAL 62 -27.068 -21.090 -2.005 355 3HG1 VAL 62 HG12 VAL 62 -27.723 -21.464 -0.411 356 1HG2 VAL 62 HG22 VAL 62 -24.592 -22.793 -2.084 357 2HG2 VAL 62 HG21 VAL 62 -25.180 -23.762 -0.734 358 3HG2 VAL 62 HG23 VAL 62 -26.314 -23.142 -1.932 359 H GLN 63 HN GLN 63 -25.762 -18.666 -1.585 360 HA GLN 63 HA GLN 63 -24.990 -19.027 -4.453 361 1HB GLN 63 HB2 GLN 63 -27.399 -19.364 -4.053 362 2HB GLN 63 HB1 GLN 63 -27.497 -17.782 -3.285 363 1HG GLN 63 HG2 GLN 63 -28.190 -17.963 -5.778 364 2HG GLN 63 HG1 GLN 63 -27.126 -16.638 -5.315 365 1HE2 GLN 63 HE22 GLN 63 -24.380 -17.829 -7.216 366 2HE2 GLN 63 HE21 GLN 63 -24.921 -16.686 -6.084 367 H LEU 64 HN LEU 64 -23.713 -17.463 -2.178 368 HA LEU 64 HA LEU 64 -24.050 -14.730 -2.237 369 1HB LEU 64 HB2 LEU 64 -21.642 -16.478 -2.052 370 2HB LEU 64 HB1 LEU 64 -21.367 -14.759 -2.339 371 HG LEU 64 HG LEU 64 -23.189 -15.760 -0.142 372 1HD1 LEU 64 HD11 LEU 64 -20.635 -16.458 -0.091 373 2HD1 LEU 64 HD13 LEU 64 -20.408 -14.776 0.391 374 3HD1 LEU 64 HD12 LEU 64 -21.422 -15.843 1.363 375 1HD2 LEU 64 HD22 LEU 64 -22.499 -13.197 -1.240 376 2HD2 LEU 64 HD21 LEU 64 -23.598 -13.557 0.092 377 3HD2 LEU 64 HD23 LEU 64 -21.885 -13.288 0.411 378 H ALA 65 HN ALA 65 -23.481 -13.020 -3.657 379 HA ALA 65 HA ALA 65 -22.734 -13.910 -6.409 380 1HB ALA 65 HB2 ALA 65 -24.843 -12.148 -5.412 381 2HB ALA 65 HB1 ALA 65 -23.860 -11.379 -6.657 382 3HB ALA 65 HB3 ALA 65 -24.674 -12.906 -6.995 383 H HIS 66 HN HIS 66 -20.737 -13.213 -7.041 384 HA HIS 66 HA HIS 66 -19.825 -10.516 -6.624 385 1HB HIS 66 HB2 HIS 66 -17.788 -11.310 -5.208 386 2HB HIS 66 HB1 HIS 66 -19.319 -11.021 -4.383 387 HD1 HIS 66 HD1 HIS 66 -18.838 -14.077 -6.502 388 HD2 HIS 66 HD2 HIS 66 -18.834 -13.071 -2.457 389 HE1 HIS 66 HE1 HIS 66 -18.873 -16.261 -5.220 390 H HIS 67 HN HIS 67 -17.665 -10.198 -7.592 391 HA HIS 67 HA HIS 67 -17.279 -11.746 -9.954 392 1HB HIS 67 HB2 HIS 67 -15.660 -9.689 -8.487 393 2HB HIS 67 HB1 HIS 67 -14.904 -10.595 -9.799 394 HD1 HIS 67 HD1 HIS 67 -16.653 -10.705 -12.042 395 HD2 HIS 67 HD2 HIS 67 -16.904 -7.438 -9.466 396 HE1 HIS 67 HE1 HIS 67 -17.808 -8.861 -13.336 397 H PHE 68 HN PHE 68 -15.083 -11.559 -7.121 398 HA PHE 68 HA PHE 68 -13.802 -14.069 -7.919 399 1HB PHE 68 HB2 PHE 68 -13.422 -12.693 -5.263 400 2HB PHE 68 HB1 PHE 68 -12.262 -13.653 -6.182 401 HD1 PHE 68 HD2 PHE 68 -11.764 -12.727 -8.634 402 HD2 PHE 68 HD1 PHE 68 -13.242 -10.370 -5.361 403 HE1 PHE 68 HE2 PHE 68 -10.930 -10.669 -9.739 404 HE2 PHE 68 HE1 PHE 68 -12.408 -8.313 -6.465 405 HZ PHE 68 HZ PHE 68 -11.252 -8.461 -8.655 406 H SER 69 HN SER 69 -13.390 -15.333 -5.469 407 HA SER 69 HA SER 69 -16.091 -15.883 -4.368 408 1HB SER 69 HB2 SER 69 -14.851 -18.409 -4.702 409 2HB SER 69 HB1 SER 69 -16.308 -17.817 -5.494 410 HG SER 69 HG SER 69 -13.615 -17.494 -6.346 411 H GLU 70 HN GLU 70 -13.203 -14.896 -3.598 412 HA GLU 70 HA GLU 70 -12.533 -16.842 -1.486 413 1HB GLU 70 HB2 GLU 70 -11.313 -14.179 -2.274 414 2HB GLU 70 HB1 GLU 70 -10.706 -15.193 -0.964 415 1HG GLU 70 HG2 GLU 70 -10.333 -17.040 -2.546 416 2HG GLU 70 HG1 GLU 70 -10.964 -16.048 -3.862 417 HA PRO 71 HA PRO 71 -14.810 -15.084 1.788 418 1HB PRO 71 HB2 PRO 71 -12.546 -15.037 3.600 419 2HB PRO 71 HB1 PRO 71 -13.923 -16.148 3.585 420 1HG PRO 71 HG2 PRO 71 -11.233 -16.730 2.798 421 2HG PRO 71 HG1 PRO 71 -12.638 -17.793 2.667 422 1HD PRO 71 HD2 PRO 71 -11.222 -16.452 0.532 423 2HD PRO 71 HD1 PRO 71 -12.607 -17.557 0.404 424 H GLU 72 HN GLU 72 -15.111 -13.061 2.860 425 HA GLU 72 HA GLU 72 -14.068 -10.757 1.644 426 1HB GLU 72 HB2 GLU 72 -15.324 -11.242 4.340 427 2HB GLU 72 HB1 GLU 72 -14.767 -9.633 3.881 428 1HG GLU 72 HG2 GLU 72 -16.185 -9.698 1.872 429 2HG GLU 72 HG1 GLU 72 -16.730 -11.321 2.301 430 H ILE 73 HN ILE 73 -13.248 -11.663 5.015 431 HA ILE 73 HA ILE 73 -11.076 -10.007 5.382 432 HB ILE 73 HB ILE 73 -12.098 -11.723 7.008 433 1HG1 ILE 73 HG12 ILE 73 -9.771 -12.021 8.111 434 2HG1 ILE 73 HG11 ILE 73 -9.169 -11.093 6.738 435 1HG2 ILE 73 HG22 ILE 73 -9.981 -13.444 5.676 436 2HG2 ILE 73 HG21 ILE 73 -10.860 -13.864 7.147 437 3HG2 ILE 73 HG23 ILE 73 -11.721 -13.720 5.615 438 1HD1 ILE 73 HD13 ILE 73 -11.454 -9.715 7.647 439 2HD1 ILE 73 HD12 ILE 73 -10.547 -10.147 9.097 440 3HD1 ILE 73 HD11 ILE 73 -9.772 -9.212 7.819 441 H THR 74 HN THR 74 -11.022 -13.187 3.754 442 HA THR 74 HA THR 74 -8.238 -13.347 3.295 443 HB THR 74 HB THR 74 -10.602 -14.303 1.667 444 HG1 THR 74 HG1 THR 74 -9.807 -15.171 3.811 445 1HG2 THR 74 HG22 THR 74 -7.704 -14.290 1.013 446 2HG2 THR 74 HG21 THR 74 -8.562 -15.805 0.739 447 3HG2 THR 74 HG23 THR 74 -9.101 -14.330 -0.062 448 H LEU 75 HN LEU 75 -10.765 -11.794 1.309 449 HA LEU 75 HA LEU 75 -8.937 -10.804 -0.687 450 1HB LEU 75 HB2 LEU 75 -11.638 -10.925 -0.568 451 2HB LEU 75 HB1 LEU 75 -11.399 -9.236 -0.118 452 HG LEU 75 HG LEU 75 -10.482 -10.628 -2.642 453 1HD1 LEU 75 HD11 LEU 75 -12.751 -9.095 -1.956 454 2HD1 LEU 75 HD13 LEU 75 -11.723 -8.032 -2.919 455 3HD1 LEU 75 HD12 LEU 75 -12.246 -9.584 -3.573 456 1HD2 LEU 75 HD23 LEU 75 -9.576 -8.043 -1.379 457 2HD2 LEU 75 HD22 LEU 75 -8.595 -9.320 -2.101 458 3HD2 LEU 75 HD21 LEU 75 -9.547 -8.249 -3.131 459 H ILE 76 HN ILE 76 -10.377 -9.268 2.214 460 HA ILE 76 HA ILE 76 -9.171 -6.728 1.872 461 HB ILE 76 HB ILE 76 -9.644 -8.196 4.486 462 1HG1 ILE 76 HG12 ILE 76 -11.503 -6.239 3.124 463 2HG1 ILE 76 HG11 ILE 76 -11.617 -7.979 2.848 464 1HG2 ILE 76 HG23 ILE 76 -8.238 -6.178 4.693 465 2HG2 ILE 76 HG22 ILE 76 -9.460 -5.237 3.839 466 3HG2 ILE 76 HG21 ILE 76 -9.822 -5.919 5.423 467 1HD1 ILE 76 HD11 ILE 76 -11.423 -7.204 5.687 468 2HD1 ILE 76 HD13 ILE 76 -12.892 -6.657 4.880 469 3HD1 ILE 76 HD12 ILE 76 -12.491 -8.373 4.910 470 H ILE 77 HN ILE 77 -7.943 -9.621 3.575 471 HA ILE 77 HA ILE 77 -5.436 -8.533 4.355 472 HB ILE 77 HB ILE 77 -6.170 -11.368 3.557 473 1HG1 ILE 77 HG12 ILE 77 -7.382 -10.325 5.512 474 2HG1 ILE 77 HG11 ILE 77 -6.419 -11.740 5.936 475 1HG2 ILE 77 HG21 ILE 77 -3.613 -10.151 4.166 476 2HG2 ILE 77 HG23 ILE 77 -4.030 -11.352 5.389 477 3HG2 ILE 77 HG22 ILE 77 -3.967 -11.812 3.686 478 1HD1 ILE 77 HD11 ILE 77 -4.682 -9.514 6.126 479 2HD1 ILE 77 HD13 ILE 77 -6.183 -9.042 6.922 480 3HD1 ILE 77 HD12 ILE 77 -5.321 -10.488 7.448 481 H PHE 78 HN PHE 78 -6.385 -10.278 1.398 482 HA PHE 78 HA PHE 78 -3.877 -10.224 0.086 483 1HB PHE 78 HB2 PHE 78 -6.723 -10.304 -0.893 484 2HB PHE 78 HB1 PHE 78 -5.396 -10.154 -2.043 485 HD1 PHE 78 HD2 PHE 78 -5.048 -11.928 1.171 486 HD2 PHE 78 HD1 PHE 78 -5.716 -12.347 -3.052 487 HE1 PHE 78 HE2 PHE 78 -4.618 -14.364 1.344 488 HE2 PHE 78 HE1 PHE 78 -5.286 -14.783 -2.879 489 HZ PHE 78 HZ PHE 78 -4.737 -15.792 -0.681 490 H GLY 79 HN GLY 79 -6.549 -7.846 -0.035 491 1HA GLY 79 HA2 GLY 79 -5.343 -6.059 -1.867 492 2HA GLY 79 HA1 GLY 79 -6.493 -5.569 -0.624 493 H VAL 80 HN VAL 80 -5.086 -6.090 1.719 494 HA VAL 80 HA VAL 80 -3.382 -3.829 1.925 495 HB VAL 80 HB VAL 80 -3.310 -6.324 3.643 496 1HG1 VAL 80 HG13 VAL 80 -1.983 -3.718 3.727 497 2HG1 VAL 80 HG12 VAL 80 -2.889 -4.060 5.201 498 3HG1 VAL 80 HG11 VAL 80 -1.640 -5.179 4.653 499 1HG2 VAL 80 HG23 VAL 80 -5.435 -4.486 3.168 500 2HG2 VAL 80 HG22 VAL 80 -5.360 -5.754 4.391 501 3HG2 VAL 80 HG21 VAL 80 -4.789 -4.129 4.770 502 H MET 81 HN MET 81 -2.563 -7.279 1.560 503 HA MET 81 HA MET 81 0.260 -6.981 1.473 504 1HB MET 81 HB2 MET 81 -1.605 -8.987 0.187 505 2HB MET 81 HB1 MET 81 0.151 -9.111 0.064 506 1HG MET 81 HG2 MET 81 -0.110 -8.716 2.735 507 2HG MET 81 HG1 MET 81 -1.618 -9.569 2.399 508 1HE MET 81 HE3 MET 81 0.943 -9.848 3.982 509 2HE MET 81 HE2 MET 81 1.198 -11.589 4.077 510 3HE MET 81 HE1 MET 81 2.328 -10.589 3.168 511 H ALA 82 HN ALA 82 -2.143 -6.945 -1.149 512 HA ALA 82 HA ALA 82 -0.354 -6.572 -3.300 513 1HB ALA 82 HB3 ALA 82 -3.237 -6.278 -2.869 514 2HB ALA 82 HB2 ALA 82 -2.603 -5.132 -4.053 515 3HB ALA 82 HB1 ALA 82 -2.362 -6.861 -4.282 516 H GLY 83 HN GLY 83 -1.965 -4.065 -1.268 517 1HA GLY 83 HA2 GLY 83 -0.931 -1.830 -2.663 518 2HA GLY 83 HA1 GLY 83 -1.331 -1.830 -0.944 519 H VAL 84 HN VAL 84 0.474 -3.649 0.088 520 HA VAL 84 HA VAL 84 2.859 -2.122 0.313 521 HB VAL 84 HB VAL 84 2.583 -5.115 0.718 522 1HG1 VAL 84 HG12 VAL 84 4.702 -3.145 1.173 523 2HG1 VAL 84 HG11 VAL 84 4.282 -4.042 2.632 524 3HG1 VAL 84 HG13 VAL 84 4.789 -4.906 1.180 525 1HG2 VAL 84 HG21 VAL 84 1.383 -2.857 2.099 526 2HG2 VAL 84 HG23 VAL 84 1.122 -4.582 2.355 527 3HG2 VAL 84 HG22 VAL 84 2.448 -3.759 3.176 528 H ILE 85 HN ILE 85 2.197 -5.023 -1.676 529 HA ILE 85 HA ILE 85 4.753 -5.256 -2.866 530 HB ILE 85 HB ILE 85 2.042 -5.853 -4.091 531 1HG1 ILE 85 HG12 ILE 85 2.488 -6.983 -1.915 532 2HG1 ILE 85 HG11 ILE 85 2.431 -8.126 -3.258 533 1HG2 ILE 85 HG23 ILE 85 4.866 -6.659 -4.824 534 2HG2 ILE 85 HG22 ILE 85 3.447 -7.540 -5.392 535 3HG2 ILE 85 HG21 ILE 85 3.674 -5.850 -5.842 536 1HD1 ILE 85 HD13 ILE 85 5.040 -7.622 -3.344 537 2HD1 ILE 85 HD12 ILE 85 4.780 -7.207 -1.649 538 3HD1 ILE 85 HD11 ILE 85 4.385 -8.824 -2.232 539 H GLY 86 HN GLY 86 1.908 -3.399 -4.004 540 1HA GLY 86 HA2 GLY 86 3.063 -2.397 -6.383 541 2HA GLY 86 HA1 GLY 86 1.807 -1.565 -5.466 542 H THR 87 HN THR 87 3.104 -1.004 -3.089 543 HA THR 87 HA THR 87 4.589 1.328 -3.714 544 HB THR 87 HB THR 87 4.787 -0.310 -1.168 545 HG1 THR 87 HG1 THR 87 2.634 0.247 -1.768 546 1HG2 THR 87 HG22 THR 87 5.415 2.553 -1.900 547 2HG2 THR 87 HG21 THR 87 5.163 2.045 -0.231 548 3HG2 THR 87 HG23 THR 87 6.486 1.356 -1.171 549 H ILE 88 HN ILE 88 5.744 -1.914 -2.746 550 HA ILE 88 HA ILE 88 8.517 -1.342 -2.781 551 HB ILE 88 HB ILE 88 7.030 -3.888 -3.484 552 1HG1 ILE 88 HG12 ILE 88 8.536 -3.059 -0.983 553 2HG1 ILE 88 HG11 ILE 88 6.782 -2.980 -1.160 554 1HG2 ILE 88 HG22 ILE 88 9.813 -3.206 -3.815 555 2HG2 ILE 88 HG21 ILE 88 9.651 -4.434 -2.558 556 3HG2 ILE 88 HG23 ILE 88 9.001 -4.730 -4.170 557 1HD1 ILE 88 HD12 ILE 88 8.323 -5.538 -1.624 558 2HD1 ILE 88 HD11 ILE 88 7.720 -5.085 -0.029 559 3HD1 ILE 88 HD13 ILE 88 6.590 -5.344 -1.358 560 H LEU 89 HN LEU 89 6.402 -2.476 -5.433 561 HA LEU 89 HA LEU 89 8.403 -2.601 -7.434 562 1HB LEU 89 HB2 LEU 89 6.572 -3.405 -8.487 563 2HB LEU 89 HB1 LEU 89 5.503 -2.668 -7.301 564 HG LEU 89 HG LEU 89 5.669 -0.512 -8.536 565 1HD1 LEU 89 HD11 LEU 89 7.695 -2.068 -9.989 566 2HD1 LEU 89 HD13 LEU 89 6.564 -1.226 -11.050 567 3HD1 LEU 89 HD12 LEU 89 7.500 -0.319 -9.862 568 1HD2 LEU 89 HD21 LEU 89 4.300 -2.883 -9.299 569 2HD2 LEU 89 HD23 LEU 89 3.827 -1.216 -9.627 570 3HD2 LEU 89 HD22 LEU 89 4.825 -2.095 -10.787 571 H LEU 90 HN LEU 90 6.308 0.124 -6.457 572 HA LEU 90 HA LEU 90 7.272 2.023 -8.336 573 1HB LEU 90 HB2 LEU 90 5.994 2.192 -5.638 574 2HB LEU 90 HB1 LEU 90 6.781 3.641 -6.259 575 HG LEU 90 HG LEU 90 5.477 3.255 -8.424 576 1HD1 LEU 90 HD12 LEU 90 4.911 0.835 -7.492 577 2HD1 LEU 90 HD11 LEU 90 3.551 1.683 -6.754 578 3HD1 LEU 90 HD13 LEU 90 3.756 1.703 -8.505 579 1HD2 LEU 90 HD23 LEU 90 4.924 4.828 -6.384 580 2HD2 LEU 90 HD22 LEU 90 3.715 4.578 -7.643 581 3HD2 LEU 90 HD21 LEU 90 3.597 3.696 -6.120 582 H ILE 91 HN ILE 91 8.485 1.281 -5.048 583 HA ILE 91 HA ILE 91 10.587 3.187 -5.021 584 HB ILE 91 HB ILE 91 10.522 0.414 -3.787 585 1HG1 ILE 91 HG12 ILE 91 9.899 3.119 -2.565 586 2HG1 ILE 91 HG11 ILE 91 8.668 1.993 -3.138 587 1HG2 ILE 91 HG23 ILE 91 12.527 2.555 -3.820 588 2HG2 ILE 91 HG22 ILE 91 12.061 2.068 -2.190 589 3HG2 ILE 91 HG21 ILE 91 12.691 0.871 -3.323 590 1HD1 ILE 91 HD12 ILE 91 10.391 0.465 -1.514 591 2HD1 ILE 91 HD11 ILE 91 10.125 1.972 -0.637 592 3HD1 ILE 91 HD13 ILE 91 8.750 0.983 -1.129 593 H SER 92 HN SER 92 10.615 -0.205 -6.177 594 HA SER 92 HA SER 92 13.338 -0.244 -6.975 595 1HB SER 92 HB2 SER 92 10.949 -1.619 -8.246 596 2HB SER 92 HB1 SER 92 12.632 -2.011 -8.589 597 HG SER 92 HG SER 92 12.850 -2.431 -6.312 598 H TYR 93 HN TYR 93 10.417 0.695 -8.814 599 HA TYR 93 HA TYR 93 11.743 1.411 -11.220 600 1HB TYR 93 HB2 TYR 93 9.118 1.737 -10.084 601 2HB TYR 93 HB1 TYR 93 9.625 3.257 -10.823 602 HD1 TYR 93 HD1 TYR 93 10.307 -0.332 -11.679 603 HD2 TYR 93 HD2 TYR 93 8.691 3.438 -12.955 604 HE1 TYR 93 HE1 TYR 93 9.880 -1.277 -13.931 605 HE2 TYR 93 HE2 TYR 93 8.263 2.492 -15.209 606 HH TYR 93 HH TYR 93 9.531 0.281 -16.543 607 H GLY 94 HN GLY 94 10.962 3.427 -8.360 608 1HA GLY 94 HA2 GLY 94 12.090 5.846 -9.318 609 2HA GLY 94 HA1 GLY 94 11.966 5.412 -7.611 610 H ILE 95 HN ILE 95 13.577 3.199 -7.448 611 HA ILE 95 HA ILE 95 16.196 4.310 -7.304 612 HB ILE 95 HB ILE 95 15.085 1.524 -7.162 613 1HG1 ILE 95 HG12 ILE 95 15.217 3.084 -5.190 614 2HG1 ILE 95 HG11 ILE 95 16.125 1.589 -4.963 615 1HG2 ILE 95 HG23 ILE 95 17.852 2.221 -7.969 616 2HG2 ILE 95 HG22 ILE 95 17.716 1.058 -6.652 617 3HG2 ILE 95 HG21 ILE 95 16.954 0.722 -8.206 618 1HD1 ILE 95 HD11 ILE 95 17.899 3.385 -6.225 619 2HD1 ILE 95 HD13 ILE 95 17.093 4.309 -4.957 620 3HD1 ILE 95 HD12 ILE 95 17.958 2.826 -4.554 621 H ARG 96 HN ARG 96 14.717 2.197 -9.764 622 HA ARG 96 HA ARG 96 16.954 1.981 -11.489 623 1HB ARG 96 HB2 ARG 96 14.889 0.660 -11.794 624 2HB ARG 96 HB1 ARG 96 14.015 2.127 -12.238 625 1HG ARG 96 HG2 ARG 96 14.679 1.855 -14.367 626 2HG ARG 96 HG1 ARG 96 16.356 2.030 -13.848 627 1HD ARG 96 HD2 ARG 96 16.238 -0.096 -14.927 628 2HD ARG 96 HD1 ARG 96 16.267 -0.441 -13.197 629 HE ARG 96 HE ARG 96 13.567 -0.292 -13.789 630 1HH1 ARG 96 HH11 ARG 96 15.636 -2.713 -13.370 631 2HH1 ARG 96 HH12 ARG 96 15.013 -3.783 -14.580 632 1HH2 ARG 96 HH21 ARG 96 13.026 -1.367 -16.075 633 2HH2 ARG 96 HH22 ARG 96 13.536 -3.022 -16.112 634 H ARG 97 HN ARG 97 14.352 4.435 -11.447 635 HA ARG 97 HA ARG 97 15.294 5.934 -13.654 636 1HB ARG 97 HB2 ARG 97 13.105 6.350 -12.585 637 2HB ARG 97 HB1 ARG 97 13.927 6.965 -11.150 638 1HG ARG 97 HG2 ARG 97 14.122 8.997 -12.093 639 2HG ARG 97 HG1 ARG 97 14.972 8.299 -13.471 640 1HD ARG 97 HD2 ARG 97 12.965 7.938 -14.674 641 2HD ARG 97 HD1 ARG 97 11.968 8.139 -13.233 642 HE ARG 97 HE ARG 97 13.221 10.590 -13.502 643 1HH1 ARG 97 HH11 ARG 97 12.823 9.198 -16.395 644 2HH1 ARG 97 HH12 ARG 97 11.513 10.183 -16.954 645 1HH2 ARG 97 HH21 ARG 97 10.891 11.587 -13.846 646 2HH2 ARG 97 HH22 ARG 97 10.420 11.535 -15.512 647 H LEU 98 HN LEU 98 16.081 6.263 -10.193 648 HA LEU 98 HA LEU 98 17.838 8.470 -10.402 649 1HB LEU 98 HB2 LEU 98 17.309 6.333 -8.458 650 2HB LEU 98 HB1 LEU 98 18.971 6.921 -8.419 651 HG LEU 98 HG LEU 98 16.482 8.645 -8.245 652 1HD1 LEU 98 HD11 LEU 98 18.079 7.234 -6.270 653 2HD1 LEU 98 HD13 LEU 98 18.118 8.975 -5.989 654 3HD1 LEU 98 HD12 LEU 98 16.573 8.127 -6.052 655 1HD2 LEU 98 HD22 LEU 98 19.210 9.234 -8.973 656 2HD2 LEU 98 HD21 LEU 98 17.837 10.337 -8.859 657 3HD2 LEU 98 HD23 LEU 98 18.830 10.015 -7.437 658 H ILE 99 HN ILE 99 18.583 4.981 -10.623 659 HA ILE 99 HA ILE 99 21.386 5.517 -11.244 660 HB ILE 99 HB ILE 99 21.497 3.059 -11.631 661 1HG1 ILE 99 HG12 ILE 99 19.123 2.054 -10.722 662 2HG1 ILE 99 HG11 ILE 99 18.566 3.445 -11.647 663 1HG2 ILE 99 HG22 ILE 99 20.709 4.428 -9.200 664 2HG2 ILE 99 HG21 ILE 99 20.128 2.763 -9.193 665 3HG2 ILE 99 HG23 ILE 99 21.846 3.096 -9.405 666 1HD1 ILE 99 HD12 ILE 99 20.168 2.585 -13.501 667 2HD1 ILE 99 HD11 ILE 99 20.149 1.067 -12.603 668 3HD1 ILE 99 HD13 ILE 99 18.648 1.725 -13.255 669 H LYS 100 HN LYS 100 18.439 4.975 -13.070 670 HA LYS 100 HA LYS 100 20.031 5.397 -15.559 671 1HB LYS 100 HB2 LYS 100 19.208 2.948 -15.075 672 2HB LYS 100 HB1 LYS 100 17.640 3.578 -15.581 673 1HG LYS 100 HG2 LYS 100 18.353 3.097 -17.683 674 2HG LYS 100 HG1 LYS 100 19.297 4.579 -17.528 675 1HD LYS 100 HD2 LYS 100 21.106 3.271 -17.901 676 2HD LYS 100 HD1 LYS 100 20.883 2.715 -16.242 677 1HE LYS 100 HE2 LYS 100 19.468 0.871 -17.025 678 2HE LYS 100 HE1 LYS 100 19.619 1.441 -18.687 679 1HZ LYS 100 HZ1 LYS 100 22.107 1.008 -17.251 680 2HZ LYS 100 HZ3 LYS 100 21.219 -0.388 -17.621 681 3HZ LYS 100 HZ2 LYS 100 21.707 0.660 -18.865 682 H LYS 101 HN LYS 101 19.191 7.014 -16.798 683 HA LYS 101 HA LYS 101 17.692 8.656 -17.558 684 1HB LYS 101 HB2 LYS 101 16.346 6.511 -18.009 685 2HB LYS 101 HB1 LYS 101 15.477 6.881 -16.518 686 1HG LYS 101 HG2 LYS 101 14.154 8.250 -17.719 687 2HG LYS 101 HG1 LYS 101 15.552 9.301 -17.944 688 1HD LYS 101 HD2 LYS 101 16.086 8.356 -20.031 689 2HD LYS 101 HD1 LYS 101 15.139 6.901 -19.717 690 1HE LYS 101 HE2 LYS 101 13.485 9.289 -19.571 691 2HE LYS 101 HE1 LYS 101 14.288 9.158 -21.136 692 1HZ LYS 101 HZ3 LYS 101 13.514 6.653 -20.802 693 2HZ LYS 101 HZ2 LYS 101 12.286 7.431 -19.923 694 3HZ LYS 101 HZ1 LYS 101 12.542 7.819 -21.557 No H/Q in entry = 694 Start of MODEL 7 1 1H VAL 62 HT3 VAL 62 -9.390 5.098 15.927 2 2H VAL 62 HT2 VAL 62 -9.748 6.583 15.182 3 3H VAL 62 HT1 VAL 62 -9.206 6.545 16.792 4 HA VAL 62 HA VAL 62 -11.201 5.558 17.555 5 HB VAL 62 HB VAL 62 -11.175 8.048 17.000 6 1HG1 VAL 62 HG13 VAL 62 -11.641 7.046 14.412 7 2HG1 VAL 62 HG12 VAL 62 -13.160 7.794 14.904 8 3HG1 VAL 62 HG11 VAL 62 -11.669 8.737 14.912 9 1HG2 VAL 62 HG22 VAL 62 -12.996 6.878 18.277 10 2HG2 VAL 62 HG21 VAL 62 -13.566 8.283 17.376 11 3HG2 VAL 62 HG23 VAL 62 -13.861 6.659 16.755 12 H GLN 63 HN GLN 63 -10.611 5.171 14.185 13 HA GLN 63 HA GLN 63 -13.162 3.642 13.888 14 1HB GLN 63 HB2 GLN 63 -12.641 5.532 12.258 15 2HB GLN 63 HB1 GLN 63 -11.305 4.542 11.671 16 1HG GLN 63 HG2 GLN 63 -13.445 4.294 10.347 17 2HG GLN 63 HG1 GLN 63 -12.810 2.779 10.994 18 1HE2 GLN 63 HE22 GLN 63 -15.774 2.132 12.764 19 2HE2 GLN 63 HE21 GLN 63 -14.381 1.528 12.004 20 H LEU 64 HN LEU 64 -10.479 2.831 15.111 21 HA LEU 64 HA LEU 64 -9.688 0.665 13.237 22 1HB LEU 64 HB2 LEU 64 -8.366 0.949 15.891 23 2HB LEU 64 HB1 LEU 64 -7.658 0.609 14.313 24 HG LEU 64 HG LEU 64 -8.661 3.298 15.292 25 1HD1 LEU 64 HD12 LEU 64 -6.244 2.056 15.760 26 2HD1 LEU 64 HD11 LEU 64 -5.905 3.000 14.310 27 3HD1 LEU 64 HD13 LEU 64 -6.501 3.800 15.765 28 1HD2 LEU 64 HD23 LEU 64 -8.540 2.286 12.656 29 2HD2 LEU 64 HD22 LEU 64 -8.753 3.967 13.141 30 3HD2 LEU 64 HD21 LEU 64 -7.136 3.337 12.833 31 H ALA 65 HN ALA 65 -11.942 1.098 15.619 32 HA ALA 65 HA ALA 65 -11.659 -1.176 17.294 33 1HB ALA 65 HB3 ALA 65 -13.784 0.708 16.586 34 2HB ALA 65 HB2 ALA 65 -14.399 -0.910 16.928 35 3HB ALA 65 HB1 ALA 65 -13.436 -0.058 18.135 36 H HIS 66 HN HIS 66 -12.472 -0.943 13.944 37 HA HIS 66 HA HIS 66 -12.819 -2.660 12.372 38 1HB HIS 66 HB2 HIS 66 -11.382 -3.887 14.397 39 2HB HIS 66 HB1 HIS 66 -12.822 -4.896 14.271 40 HD1 HIS 66 HD1 HIS 66 -12.396 -6.782 12.710 41 HD2 HIS 66 HD2 HIS 66 -10.525 -3.286 11.418 42 HE1 HIS 66 HE1 HIS 66 -11.265 -7.343 10.515 43 H HIS 67 HN HIS 67 -14.284 -3.907 15.399 44 HA HIS 67 HA HIS 67 -16.502 -4.526 15.853 45 1HB HIS 67 HB2 HIS 67 -16.571 -1.999 14.528 46 2HB HIS 67 HB1 HIS 67 -17.903 -2.969 13.899 47 HD1 HIS 67 HD1 HIS 67 -19.813 -3.567 15.508 48 HD2 HIS 67 HD2 HIS 67 -16.708 -1.491 17.360 49 HE1 HIS 67 HE1 HIS 67 -20.656 -2.915 17.806 50 H PHE 68 HN PHE 68 -18.694 -5.013 14.362 51 HA PHE 68 HA PHE 68 -17.700 -6.792 12.168 52 1HB PHE 68 HB2 PHE 68 -20.093 -7.255 13.973 53 2HB PHE 68 HB1 PHE 68 -19.472 -8.363 12.749 54 HD1 PHE 68 HD1 PHE 68 -16.606 -8.318 13.095 55 HD2 PHE 68 HD2 PHE 68 -19.689 -8.177 16.082 56 HE1 PHE 68 HE1 PHE 68 -15.039 -9.281 14.758 57 HE2 PHE 68 HE2 PHE 68 -18.122 -9.140 17.745 58 HZ PHE 68 HZ PHE 68 -15.796 -9.692 17.083 59 H SER 69 HN SER 69 -19.913 -7.470 10.870 60 HA SER 69 HA SER 69 -21.441 -6.678 9.277 61 1HB SER 69 HB2 SER 69 -22.039 -4.982 11.699 62 2HB SER 69 HB1 SER 69 -22.941 -4.782 10.200 63 HG SER 69 HG SER 69 -23.829 -6.705 10.466 64 H GLU 70 HN GLU 70 -19.434 -5.907 8.098 65 HA GLU 70 HA GLU 70 -19.657 -2.974 7.660 66 1HB GLU 70 HB2 GLU 70 -17.082 -2.996 7.421 67 2HB GLU 70 HB1 GLU 70 -17.746 -3.015 9.055 68 1HG GLU 70 HG2 GLU 70 -17.502 -5.708 7.985 69 2HG GLU 70 HG1 GLU 70 -15.950 -4.870 7.971 70 HA PRO 71 HA PRO 71 -19.688 -4.090 3.432 71 1HB PRO 71 HB2 PRO 71 -18.150 -1.801 2.610 72 2HB PRO 71 HB1 PRO 71 -19.904 -2.016 2.531 73 1HG PRO 71 HG2 PRO 71 -18.417 -0.326 4.335 74 2HG PRO 71 HG1 PRO 71 -20.170 -0.539 4.245 75 1HD PRO 71 HD2 PRO 71 -18.382 -1.516 6.281 76 2HD PRO 71 HD1 PRO 71 -20.138 -1.745 6.175 77 H GLU 72 HN GLU 72 -18.356 -5.646 2.590 78 HA GLU 72 HA GLU 72 -15.655 -6.040 3.357 79 1HB GLU 72 HB2 GLU 72 -16.769 -6.925 0.694 80 2HB GLU 72 HB1 GLU 72 -15.578 -7.742 1.708 81 1HG GLU 72 HG2 GLU 72 -17.289 -8.940 2.560 82 2HG GLU 72 HG1 GLU 72 -17.803 -7.458 3.369 83 H ILE 73 HN ILE 73 -16.851 -4.821 0.199 84 HA ILE 73 HA ILE 73 -14.432 -4.135 -0.959 85 HB ILE 73 HB ILE 73 -16.748 -3.902 -1.958 86 1HG1 ILE 73 HG12 ILE 73 -15.938 -1.480 -2.934 87 2HG1 ILE 73 HG11 ILE 73 -14.437 -2.100 -2.244 88 1HG2 ILE 73 HG23 ILE 73 -17.643 -2.549 -0.030 89 2HG2 ILE 73 HG22 ILE 73 -16.653 -1.200 -0.585 90 3HG2 ILE 73 HG21 ILE 73 -17.945 -1.825 -1.610 91 1HD1 ILE 73 HD12 ILE 73 -15.564 -4.306 -3.530 92 2HD1 ILE 73 HD11 ILE 73 -15.854 -2.964 -4.638 93 3HD1 ILE 73 HD13 ILE 73 -14.211 -3.338 -4.115 94 H THR 74 HN THR 74 -16.343 -2.103 1.284 95 HA THR 74 HA THR 74 -14.617 0.145 1.260 96 HB THR 74 HB THR 74 -15.599 0.685 3.480 97 HG1 THR 74 HG1 THR 74 -15.744 -1.330 4.382 98 1HG2 THR 74 HG21 THR 74 -17.388 -0.301 1.259 99 2HG2 THR 74 HG23 THR 74 -18.040 0.496 2.691 100 3HG2 THR 74 HG22 THR 74 -16.921 1.358 1.635 101 H LEU 75 HN LEU 75 -14.571 -2.715 3.411 102 HA LEU 75 HA LEU 75 -12.239 -1.775 4.853 103 1HB LEU 75 HB2 LEU 75 -14.056 -3.664 5.418 104 2HB LEU 75 HB1 LEU 75 -12.822 -4.697 4.696 105 HG LEU 75 HG LEU 75 -12.536 -2.859 7.081 106 1HD1 LEU 75 HD11 LEU 75 -12.981 -5.672 6.686 107 2HD1 LEU 75 HD13 LEU 75 -11.402 -5.439 7.434 108 3HD1 LEU 75 HD12 LEU 75 -12.846 -4.783 8.204 109 1HD2 LEU 75 HD21 LEU 75 -10.467 -4.049 5.248 110 2HD2 LEU 75 HD23 LEU 75 -10.508 -2.447 5.986 111 3HD2 LEU 75 HD22 LEU 75 -10.105 -3.857 6.963 112 H ILE 76 HN ILE 76 -12.643 -4.211 2.233 113 HA ILE 76 HA ILE 76 -9.907 -4.931 2.084 114 HB ILE 76 HB ILE 76 -11.910 -4.750 -0.189 115 1HG1 ILE 76 HG12 ILE 76 -11.130 -7.171 1.449 116 2HG1 ILE 76 HG11 ILE 76 -12.496 -6.145 1.886 117 1HG2 ILE 76 HG21 ILE 76 -9.541 -4.948 -0.918 118 2HG2 ILE 76 HG23 ILE 76 -9.364 -6.377 0.101 119 3HG2 ILE 76 HG22 ILE 76 -10.464 -6.407 -1.279 120 1HD1 ILE 76 HD11 ILE 76 -12.404 -6.992 -0.950 121 2HD1 ILE 76 HD13 ILE 76 -12.701 -8.280 0.218 122 3HD1 ILE 76 HD12 ILE 76 -13.778 -6.886 0.151 123 H ILE 77 HN ILE 77 -11.648 -2.336 0.299 124 HA ILE 77 HA ILE 77 -9.364 -1.378 -1.109 125 HB ILE 77 HB ILE 77 -10.577 0.735 -1.347 126 1HG1 ILE 77 HG12 ILE 77 -12.413 -0.411 0.774 127 2HG1 ILE 77 HG11 ILE 77 -11.349 0.980 0.971 128 1HG2 ILE 77 HG22 ILE 77 -12.210 -1.800 -1.501 129 2HG2 ILE 77 HG21 ILE 77 -12.839 -0.254 -2.071 130 3HG2 ILE 77 HG23 ILE 77 -11.395 -0.946 -2.810 131 1HD1 ILE 77 HD13 ILE 77 -12.671 1.803 -1.205 132 2HD1 ILE 77 HD12 ILE 77 -13.916 0.753 -0.529 133 3HD1 ILE 77 HD11 ILE 77 -13.284 2.098 0.422 134 H PHE 78 HN PHE 78 -10.690 -0.464 2.062 135 HA PHE 78 HA PHE 78 -8.766 1.504 2.739 136 1HB PHE 78 HB2 PHE 78 -10.746 -0.105 4.179 137 2HB PHE 78 HB1 PHE 78 -9.310 0.224 5.146 138 HD1 PHE 78 HD2 PHE 78 -11.282 2.139 2.583 139 HD2 PHE 78 HD1 PHE 78 -9.552 2.082 6.514 140 HE1 PHE 78 HE2 PHE 78 -12.060 4.463 2.958 141 HE2 PHE 78 HE1 PHE 78 -10.328 4.407 6.889 142 HZ PHE 78 HZ PHE 78 -11.582 5.598 5.112 143 H GLY 79 HN GLY 79 -8.709 -2.023 3.345 144 1HA GLY 79 HA2 GLY 79 -6.241 -2.100 4.728 145 2HA GLY 79 HA1 GLY 79 -6.870 -3.433 3.760 146 H VAL 80 HN VAL 80 -6.839 -2.355 1.192 147 HA VAL 80 HA VAL 80 -4.116 -2.649 0.433 148 HB VAL 80 HB VAL 80 -6.364 -1.226 -1.024 149 1HG1 VAL 80 HG11 VAL 80 -3.934 -0.748 -1.742 150 2HG1 VAL 80 HG13 VAL 80 -3.875 -2.441 -2.232 151 3HG1 VAL 80 HG12 VAL 80 -5.031 -1.345 -2.987 152 1HG2 VAL 80 HG21 VAL 80 -6.220 -3.867 -0.307 153 2HG2 VAL 80 HG23 VAL 80 -7.057 -3.280 -1.745 154 3HG2 VAL 80 HG22 VAL 80 -5.409 -3.896 -1.874 155 H MET 81 HN MET 81 -6.068 0.309 0.860 156 HA MET 81 HA MET 81 -4.017 2.185 0.272 157 1HB MET 81 HB2 MET 81 -6.424 2.317 2.105 158 2HB MET 81 HB1 MET 81 -5.354 3.697 1.853 159 1HG MET 81 HG2 MET 81 -6.327 2.304 -0.590 160 2HG MET 81 HG1 MET 81 -7.516 3.246 0.310 161 1HE MET 81 HE2 MET 81 -7.485 4.065 -2.183 162 2HE MET 81 HE1 MET 81 -7.963 5.442 -1.191 163 3HE MET 81 HE3 MET 81 -6.803 5.658 -2.508 164 H ALA 82 HN ALA 82 -4.982 0.701 3.355 165 HA ALA 82 HA ALA 82 -3.093 1.986 5.016 166 1HB ALA 82 HB3 ALA 82 -4.868 -0.319 5.221 167 2HB ALA 82 HB2 ALA 82 -3.348 -0.589 6.078 168 3HB ALA 82 HB1 ALA 82 -4.345 0.809 6.470 169 H GLY 83 HN GLY 83 -2.746 -1.091 3.173 170 1HA GLY 83 HA2 GLY 83 -0.148 -1.723 4.096 171 2HA GLY 83 HA1 GLY 83 -0.779 -2.184 2.513 172 H VAL 84 HN VAL 84 -1.128 0.275 1.276 173 HA VAL 84 HA VAL 84 1.505 0.926 0.418 174 HB VAL 84 HB VAL 84 -0.989 2.656 0.344 175 1HG1 VAL 84 HG11 VAL 84 1.775 3.038 -0.588 176 2HG1 VAL 84 HG13 VAL 84 0.565 3.272 -1.850 177 3HG1 VAL 84 HG12 VAL 84 0.488 4.225 -0.368 178 1HG2 VAL 84 HG22 VAL 84 -1.163 0.398 -0.752 179 2HG2 VAL 84 HG21 VAL 84 -1.312 1.742 -1.885 180 3HG2 VAL 84 HG23 VAL 84 0.200 0.842 -1.777 181 H ILE 85 HN ILE 85 -0.625 2.615 2.738 182 HA ILE 85 HA ILE 85 1.151 4.708 3.435 183 HB ILE 85 HB ILE 85 -0.890 3.279 5.165 184 1HG1 ILE 85 HG12 ILE 85 -1.271 5.956 3.863 185 2HG1 ILE 85 HG11 ILE 85 -1.481 4.500 2.889 186 1HG2 ILE 85 HG23 ILE 85 0.998 4.843 6.180 187 2HG2 ILE 85 HG22 ILE 85 -0.035 6.125 5.548 188 3HG2 ILE 85 HG21 ILE 85 -0.672 4.980 6.729 189 1HD1 ILE 85 HD12 ILE 85 -2.851 3.902 5.226 190 2HD1 ILE 85 HD11 ILE 85 -3.213 5.608 4.971 191 3HD1 ILE 85 HD13 ILE 85 -3.586 4.431 3.712 192 H GLY 86 HN GLY 86 0.774 1.472 4.910 193 1HA GLY 86 HA2 GLY 86 2.696 1.763 6.958 194 2HA GLY 86 HA1 GLY 86 2.274 0.224 6.206 195 H THR 87 HN THR 87 3.152 0.595 3.599 196 HA THR 87 HA THR 87 5.933 0.076 3.803 197 HB THR 87 HB THR 87 4.400 1.146 1.413 198 HG1 THR 87 HG1 THR 87 3.600 -0.817 2.270 199 1HG2 THR 87 HG22 THR 87 7.140 -0.055 1.768 200 2HG2 THR 87 HG21 THR 87 6.289 -0.188 0.231 201 3HG2 THR 87 HG23 THR 87 6.683 1.402 0.886 202 H ILE 88 HN ILE 88 4.231 3.092 2.898 203 HA ILE 88 HA ILE 88 6.543 4.694 2.500 204 HB ILE 88 HB ILE 88 3.789 5.415 3.547 205 1HG1 ILE 88 HG12 ILE 88 5.129 5.733 0.840 206 2HG1 ILE 88 HG11 ILE 88 3.872 4.560 1.235 207 1HG2 ILE 88 HG21 ILE 88 6.057 7.221 2.650 208 2HG2 ILE 88 HG23 ILE 88 4.415 7.754 3.009 209 3HG2 ILE 88 HG22 ILE 88 5.428 7.090 4.291 210 1HD1 ILE 88 HD13 ILE 88 3.405 7.497 1.699 211 2HD1 ILE 88 HD12 ILE 88 3.172 6.800 0.095 212 3HD1 ILE 88 HD11 ILE 88 2.220 6.213 1.458 213 H LEU 89 HN LEU 89 4.644 4.085 5.454 214 HA LEU 89 HA LEU 89 6.188 5.676 7.219 215 1HB LEU 89 HB2 LEU 89 4.577 4.937 8.617 216 2HB LEU 89 HB1 LEU 89 4.068 3.759 7.414 217 HG LEU 89 HG LEU 89 5.862 2.212 8.278 218 1HD1 LEU 89 HD12 LEU 89 6.369 4.603 9.932 219 2HD1 LEU 89 HD11 LEU 89 6.332 3.087 10.832 220 3HD1 LEU 89 HD13 LEU 89 7.459 3.289 9.489 221 1HD2 LEU 89 HD22 LEU 89 3.541 3.177 9.911 222 2HD2 LEU 89 HD21 LEU 89 3.774 1.623 9.109 223 3HD2 LEU 89 HD23 LEU 89 4.624 1.976 10.612 224 H LEU 90 HN LEU 90 6.547 2.259 6.290 225 HA LEU 90 HA LEU 90 8.814 1.653 7.893 226 1HB LEU 90 HB2 LEU 90 7.336 0.270 6.011 227 2HB LEU 90 HB1 LEU 90 8.889 0.467 5.199 228 HG LEU 90 HG LEU 90 8.539 -0.613 8.009 229 1HD1 LEU 90 HD11 LEU 90 7.927 -1.908 5.649 230 2HD1 LEU 90 HD13 LEU 90 9.605 -2.379 5.917 231 3HD1 LEU 90 HD12 LEU 90 8.389 -2.707 7.152 232 1HD2 LEU 90 HD21 LEU 90 10.775 0.485 6.667 233 2HD2 LEU 90 HD23 LEU 90 10.778 -0.407 8.188 234 3HD2 LEU 90 HD22 LEU 90 11.013 -1.262 6.664 235 H ILE 91 HN ILE 91 8.664 2.971 4.572 236 HA ILE 91 HA ILE 91 11.459 3.148 4.129 237 HB ILE 91 HB ILE 91 9.259 5.013 3.182 238 1HG1 ILE 91 HG12 ILE 91 10.573 2.611 1.867 239 2HG1 ILE 91 HG11 ILE 91 8.946 2.637 2.547 240 1HG2 ILE 91 HG23 ILE 91 12.137 4.633 2.320 241 2HG2 ILE 91 HG22 ILE 91 10.932 5.435 1.312 242 3HG2 ILE 91 HG21 ILE 91 11.370 6.119 2.878 243 1HD1 ILE 91 HD11 ILE 91 8.792 4.796 0.925 244 2HD1 ILE 91 HD13 ILE 91 9.962 3.829 0.024 245 3HD1 ILE 91 HD12 ILE 91 8.370 3.166 0.395 246 H SER 92 HN SER 92 9.234 5.540 5.599 247 HA SER 92 HA SER 92 11.187 7.541 6.083 248 1HB SER 92 HB2 SER 92 8.613 6.775 7.437 249 2HB SER 92 HB1 SER 92 9.643 8.004 8.162 250 HG SER 92 HG SER 92 9.046 8.127 5.422 251 H TYR 93 HN TYR 93 10.148 4.799 8.141 252 HA TYR 93 HA TYR 93 11.935 5.284 10.298 253 1HB TYR 93 HB2 TYR 93 10.035 3.483 9.989 254 2HB TYR 93 HB1 TYR 93 11.352 2.481 9.378 255 HD1 TYR 93 HD2 TYR 93 10.802 4.903 12.204 256 HD2 TYR 93 HD1 TYR 93 12.381 1.112 10.946 257 HE1 TYR 93 HE2 TYR 93 11.527 4.433 14.528 258 HE2 TYR 93 HE1 TYR 93 13.104 0.641 13.271 259 HH TYR 93 HH TYR 93 13.725 2.235 15.358 260 H GLY 94 HN GLY 94 12.390 3.312 7.347 261 1HA GLY 94 HA2 GLY 94 15.041 2.459 7.872 262 2HA GLY 94 HA1 GLY 94 14.356 2.655 6.258 263 H ILE 95 HN ILE 95 13.863 5.351 6.162 264 HA ILE 95 HA ILE 95 16.400 6.443 5.501 265 HB ILE 95 HB ILE 95 13.650 7.571 5.883 266 1HG1 ILE 95 HG12 ILE 95 14.408 6.622 3.718 267 2HG1 ILE 95 HG11 ILE 95 14.064 8.345 3.580 268 1HG2 ILE 95 HG21 ILE 95 16.166 9.118 6.206 269 2HG2 ILE 95 HG23 ILE 95 14.960 9.814 5.122 270 3HG2 ILE 95 HG22 ILE 95 14.543 9.469 6.801 271 1HD1 ILE 95 HD13 ILE 95 16.646 8.536 4.226 272 2HD1 ILE 95 HD12 ILE 95 16.689 6.926 3.507 273 3HD1 ILE 95 HD11 ILE 95 16.129 8.301 2.556 274 H ARG 96 HN ARG 96 14.414 6.939 8.436 275 HA ARG 96 HA ARG 96 16.175 8.722 9.761 276 1HB ARG 96 HB2 ARG 96 14.146 6.718 10.719 277 2HB ARG 96 HB1 ARG 96 15.181 7.540 11.886 278 1HG ARG 96 HG2 ARG 96 14.009 9.454 11.694 279 2HG ARG 96 HG1 ARG 96 14.119 9.412 9.935 280 1HD ARG 96 HD2 ARG 96 11.761 9.305 10.772 281 2HD ARG 96 HD1 ARG 96 12.216 7.905 9.800 282 HE ARG 96 HE ARG 96 12.782 7.128 12.403 283 1HH1 ARG 96 HH21 ARG 96 10.377 6.525 10.370 284 2HH1 ARG 96 HH22 ARG 96 9.072 6.554 11.509 285 1HH2 ARG 96 HH11 ARG 96 10.964 7.978 14.041 286 2HH2 ARG 96 HH12 ARG 96 9.405 7.376 13.588 287 H ARG 97 HN ARG 97 16.074 5.151 9.861 288 HA ARG 97 HA ARG 97 18.229 4.784 11.658 289 1HB ARG 97 HB2 ARG 97 16.825 2.909 10.997 290 2HB ARG 97 HB1 ARG 97 17.349 3.064 9.321 291 1HG ARG 97 HG2 ARG 97 19.623 2.861 11.126 292 2HG ARG 97 HG1 ARG 97 18.544 1.475 11.292 293 1HD ARG 97 HD2 ARG 97 18.612 1.725 8.582 294 2HD ARG 97 HD1 ARG 97 20.231 2.291 8.999 295 HE ARG 97 HE ARG 97 19.961 -0.038 10.467 296 1HH1 ARG 97 HH11 ARG 97 21.237 0.793 7.586 297 2HH1 ARG 97 HH12 ARG 97 20.958 -0.712 6.776 298 1HH2 ARG 97 HH21 ARG 97 18.871 -1.961 9.246 299 2HH2 ARG 97 HH22 ARG 97 19.619 -2.271 7.715 300 H LEU 98 HN LEU 98 18.287 5.019 8.094 301 HA LEU 98 HA LEU 98 21.074 4.654 7.753 302 1HB LEU 98 HB2 LEU 98 18.869 5.845 6.192 303 2HB LEU 98 HB1 LEU 98 20.465 6.489 5.808 304 HG LEU 98 HG LEU 98 20.054 3.518 6.044 305 1HD1 LEU 98 HD13 LEU 98 19.074 5.342 3.917 306 2HD1 LEU 98 HD12 LEU 98 19.952 3.916 3.364 307 3HD1 LEU 98 HD11 LEU 98 18.512 3.732 4.365 308 1HD2 LEU 98 HD22 LEU 98 22.280 5.043 5.710 309 2HD2 LEU 98 HD21 LEU 98 22.126 3.402 5.079 310 3HD2 LEU 98 HD23 LEU 98 21.823 4.784 4.025 311 H ILE 99 HN ILE 99 19.233 7.659 8.294 312 HA ILE 99 HA ILE 99 21.605 9.327 8.370 313 HB ILE 99 HB ILE 99 20.043 11.040 9.274 314 1HG1 ILE 99 HG12 ILE 99 18.022 8.776 9.170 315 2HG1 ILE 99 HG11 ILE 99 18.711 9.434 10.654 316 1HG2 ILE 99 HG22 ILE 99 19.683 9.514 6.797 317 2HG2 ILE 99 HG21 ILE 99 18.224 10.370 7.292 318 3HG2 ILE 99 HG23 ILE 99 19.726 11.261 7.042 319 1HD1 ILE 99 HD13 ILE 99 17.847 11.702 9.316 320 2HD1 ILE 99 HD12 ILE 99 16.590 10.520 8.947 321 3HD1 ILE 99 HD11 ILE 99 16.982 10.894 10.625 322 H LYS 100 HN LYS 100 20.129 7.187 10.605 323 HA LYS 100 HA LYS 100 21.746 8.401 12.812 324 1HB LYS 100 HB2 LYS 100 18.932 7.677 12.702 325 2HB LYS 100 HB1 LYS 100 19.763 6.796 13.986 326 1HG LYS 100 HG2 LYS 100 20.820 9.301 14.295 327 2HG LYS 100 HG1 LYS 100 19.184 9.682 13.756 328 1HD LYS 100 HD2 LYS 100 18.711 9.443 15.985 329 2HD LYS 100 HD1 LYS 100 18.623 7.737 15.547 330 1HE LYS 100 HE2 LYS 100 20.097 7.649 17.343 331 2HE LYS 100 HE1 LYS 100 21.223 7.800 15.994 332 1HZ LYS 100 HZ3 LYS 100 20.978 10.299 16.388 333 2HZ LYS 100 HZ2 LYS 100 20.340 9.870 17.904 334 3HZ LYS 100 HZ1 LYS 100 21.921 9.412 17.485 335 H LYS 101 HN LYS 101 21.478 6.274 14.623 336 HA LYS 101 HA LYS 101 22.676 4.309 15.136 337 1HB LYS 101 HB2 LYS 101 20.897 3.738 12.824 338 2HB LYS 101 HB1 LYS 101 22.150 2.541 13.157 339 1HG LYS 101 HG2 LYS 101 21.139 1.843 15.061 340 2HG LYS 101 HG1 LYS 101 20.769 3.490 15.570 341 1HD LYS 101 HD2 LYS 101 19.261 2.227 13.291 342 2HD LYS 101 HD1 LYS 101 18.789 1.910 14.961 343 1HE LYS 101 HE2 LYS 101 18.711 4.410 15.321 344 2HE LYS 101 HE1 LYS 101 18.944 4.604 13.584 345 1HZ LYS 101 HZ3 LYS 101 16.942 2.796 13.730 346 2HZ LYS 101 HZ2 LYS 101 16.597 3.814 15.046 347 3HZ LYS 101 HZ1 LYS 101 16.735 4.460 13.481 348 1H VAL 62 HT2 VAL 62 -2.157 -25.356 21.288 349 2H VAL 62 HT1 VAL 62 -1.468 -26.878 20.980 350 3H VAL 62 HT3 VAL 62 -1.330 -26.182 22.520 351 HA VAL 62 HA VAL 62 0.471 -25.033 21.969 352 HB VAL 62 HB VAL 62 1.723 -25.865 20.064 353 1HG1 VAL 62 HG11 VAL 62 0.085 -27.748 21.694 354 2HG1 VAL 62 HG13 VAL 62 0.977 -28.432 20.335 355 3HG1 VAL 62 HG12 VAL 62 1.838 -27.567 21.608 356 1HG2 VAL 62 HG23 VAL 62 -1.015 -26.721 19.115 357 2HG2 VAL 62 HG22 VAL 62 0.182 -25.744 18.264 358 3HG2 VAL 62 HG21 VAL 62 0.451 -27.474 18.487 359 H GLN 63 HN GLN 63 -1.933 -24.981 19.364 360 HA GLN 63 HA GLN 63 -1.100 -22.159 18.811 361 1HB GLN 63 HB2 GLN 63 -0.643 -23.668 16.900 362 2HB GLN 63 HB1 GLN 63 -2.339 -24.153 16.884 363 1HG GLN 63 HG2 GLN 63 -1.907 -22.400 15.201 364 2HG GLN 63 HG1 GLN 63 -3.005 -21.815 16.452 365 1HE2 GLN 63 HE22 GLN 63 -0.874 -19.047 16.914 366 2HE2 GLN 63 HE21 GLN 63 -2.446 -19.610 16.610 367 H LEU 64 HN LEU 64 -2.917 -20.733 18.171 368 HA LEU 64 HA LEU 64 -5.651 -21.665 18.631 369 1HB LEU 64 HB2 LEU 64 -5.911 -19.811 20.456 370 2HB LEU 64 HB1 LEU 64 -5.275 -21.391 20.924 371 HG LEU 64 HG LEU 64 -3.091 -19.772 20.016 372 1HD1 LEU 64 HD12 LEU 64 -5.107 -18.148 21.031 373 2HD1 LEU 64 HD11 LEU 64 -4.052 -18.415 22.418 374 3HD1 LEU 64 HD13 LEU 64 -3.396 -17.730 20.933 375 1HD2 LEU 64 HD22 LEU 64 -3.703 -21.618 22.024 376 2HD2 LEU 64 HD21 LEU 64 -2.145 -20.828 21.779 377 3HD2 LEU 64 HD23 LEU 64 -3.318 -20.138 22.901 378 H ALA 65 HN ALA 65 -4.173 -20.293 16.495 379 HA ALA 65 HA ALA 65 -5.579 -17.661 16.572 380 1HB ALA 65 HB1 ALA 65 -3.053 -18.543 15.162 381 2HB ALA 65 HB3 ALA 65 -3.922 -17.084 14.688 382 3HB ALA 65 HB2 ALA 65 -3.258 -17.225 16.315 383 H HIS 66 HN HIS 66 -5.209 -20.671 14.841 384 HA HIS 66 HA HIS 66 -6.419 -21.549 13.032 385 1HB HIS 66 HB2 HIS 66 -8.270 -19.244 13.717 386 2HB HIS 66 HB1 HIS 66 -8.672 -20.579 12.637 387 HD1 HIS 66 HD1 HIS 66 -8.967 -22.946 13.712 388 HD2 HIS 66 HD2 HIS 66 -8.318 -19.890 16.472 389 HE1 HIS 66 HE1 HIS 66 -9.543 -23.900 15.987 390 H HIS 67 HN HIS 67 -6.021 -21.341 10.869 391 HA HIS 67 HA HIS 67 -5.745 -18.579 9.762 392 1HB HIS 67 HB2 HIS 67 -3.810 -20.874 9.639 393 2HB HIS 67 HB1 HIS 67 -3.885 -19.731 8.297 394 HD1 HIS 67 HD1 HIS 67 -3.842 -19.407 12.110 395 HD2 HIS 67 HD2 HIS 67 -2.105 -17.679 8.737 396 HE1 HIS 67 HE1 HIS 67 -2.286 -17.595 12.954 397 H PHE 68 HN PHE 68 -7.333 -18.414 8.255 398 HA PHE 68 HA PHE 68 -7.665 -20.671 6.334 399 1HB PHE 68 HB2 PHE 68 -10.182 -20.087 6.412 400 2HB PHE 68 HB1 PHE 68 -9.527 -21.013 7.762 401 HD1 PHE 68 HD1 PHE 68 -10.195 -17.494 6.669 402 HD2 PHE 68 HD2 PHE 68 -9.768 -20.224 9.958 403 HE1 PHE 68 HE1 PHE 68 -10.899 -15.710 8.240 404 HE2 PHE 68 HE2 PHE 68 -10.473 -18.439 11.529 405 HZ PHE 68 HZ PHE 68 -11.038 -16.182 10.671 406 H SER 69 HN SER 69 -8.417 -19.981 4.234 407 HA SER 69 HA SER 69 -8.311 -17.019 3.820 408 1HB SER 69 HB2 SER 69 -6.755 -19.176 2.586 409 2HB SER 69 HB1 SER 69 -7.542 -18.137 1.404 410 HG SER 69 HG SER 69 -6.334 -16.876 3.563 411 H GLU 70 HN GLU 70 -10.179 -16.261 2.966 412 HA GLU 70 HA GLU 70 -11.565 -17.136 0.747 413 1HB GLU 70 HB2 GLU 70 -11.925 -18.973 2.960 414 2HB GLU 70 HB1 GLU 70 -13.468 -18.267 2.478 415 1HG GLU 70 HG2 GLU 70 -11.483 -19.652 0.651 416 2HG GLU 70 HG1 GLU 70 -13.052 -20.280 1.157 417 HA PRO 71 HA PRO 71 -14.694 -14.845 3.678 418 1HB PRO 71 HB2 PRO 71 -13.211 -14.033 6.012 419 2HB PRO 71 HB1 PRO 71 -14.641 -15.069 5.927 420 1HG PRO 71 HG2 PRO 71 -11.950 -15.874 6.502 421 2HG PRO 71 HG1 PRO 71 -13.369 -16.914 6.334 422 1HD PRO 71 HD2 PRO 71 -11.151 -16.604 4.506 423 2HD PRO 71 HD1 PRO 71 -12.533 -17.709 4.370 424 H GLU 72 HN GLU 72 -14.802 -12.471 4.280 425 HA GLU 72 HA GLU 72 -13.423 -10.850 2.454 426 1HB GLU 72 HB2 GLU 72 -14.117 -8.938 3.935 427 2HB GLU 72 HB1 GLU 72 -15.433 -10.046 3.546 428 1HG GLU 72 HG2 GLU 72 -15.050 -11.217 5.707 429 2HG GLU 72 HG1 GLU 72 -13.802 -10.035 6.102 430 H ILE 73 HN ILE 73 -12.629 -11.468 5.890 431 HA ILE 73 HA ILE 73 -10.489 -9.736 6.223 432 HB ILE 73 HB ILE 73 -11.416 -11.381 7.917 433 1HG1 ILE 73 HG12 ILE 73 -8.918 -11.906 8.707 434 2HG1 ILE 73 HG11 ILE 73 -8.543 -10.770 7.408 435 1HG2 ILE 73 HG22 ILE 73 -11.193 -13.363 6.371 436 2HG2 ILE 73 HG21 ILE 73 -9.445 -13.261 6.582 437 3HG2 ILE 73 HG23 ILE 73 -10.481 -13.617 7.964 438 1HD1 ILE 73 HD11 ILE 73 -10.709 -9.631 8.795 439 2HD1 ILE 73 HD13 ILE 73 -9.615 -10.226 10.045 440 3HD1 ILE 73 HD12 ILE 73 -9.029 -9.092 8.828 441 H THR 74 HN THR 74 -10.386 -12.975 4.706 442 HA THR 74 HA THR 74 -7.590 -12.933 4.161 443 HB THR 74 HB THR 74 -9.522 -14.800 3.865 444 HG1 THR 74 HG1 THR 74 -7.021 -14.566 2.570 445 1HG2 THR 74 HG23 THR 74 -8.943 -13.770 1.073 446 2HG2 THR 74 HG22 THR 74 -9.711 -15.316 1.428 447 3HG2 THR 74 HG21 THR 74 -10.515 -13.811 1.868 448 H LEU 75 HN LEU 75 -10.370 -11.901 2.157 449 HA LEU 75 HA LEU 75 -8.754 -11.024 -0.059 450 1HB LEU 75 HB2 LEU 75 -11.370 -11.329 0.146 451 2HB LEU 75 HB1 LEU 75 -11.325 -9.634 0.637 452 HG LEU 75 HG LEU 75 -10.393 -10.841 -1.973 453 1HD1 LEU 75 HD13 LEU 75 -12.764 -9.574 -1.115 454 2HD1 LEU 75 HD12 LEU 75 -11.910 -8.384 -2.100 455 3HD1 LEU 75 HD11 LEU 75 -12.305 -9.967 -2.772 456 1HD2 LEU 75 HD22 LEU 75 -9.746 -8.156 -0.736 457 2HD2 LEU 75 HD21 LEU 75 -8.623 -9.343 -1.402 458 3HD2 LEU 75 HD23 LEU 75 -9.681 -8.428 -2.477 459 H ILE 76 HN ILE 76 -10.084 -9.227 2.739 460 HA ILE 76 HA ILE 76 -9.025 -6.689 2.042 461 HB ILE 76 HB ILE 76 -9.367 -7.897 4.808 462 1HG1 ILE 76 HG12 ILE 76 -11.256 -6.053 3.334 463 2HG1 ILE 76 HG11 ILE 76 -11.384 -7.807 3.204 464 1HG2 ILE 76 HG22 ILE 76 -7.931 -5.822 4.637 465 2HG2 ILE 76 HG21 ILE 76 -9.331 -4.986 3.964 466 3HG2 ILE 76 HG23 ILE 76 -9.388 -5.618 5.610 467 1HD1 ILE 76 HD11 ILE 76 -11.226 -6.525 5.916 468 2HD1 ILE 76 HD13 ILE 76 -12.763 -6.557 5.051 469 3HD1 ILE 76 HD12 ILE 76 -11.947 -8.067 5.457 470 H ILE 77 HN ILE 77 -7.595 -9.331 3.986 471 HA ILE 77 HA ILE 77 -5.097 -8.070 4.498 472 HB ILE 77 HB ILE 77 -5.844 -10.985 4.135 473 1HG1 ILE 77 HG12 ILE 77 -4.971 -9.528 6.636 474 2HG1 ILE 77 HG11 ILE 77 -6.658 -9.553 6.122 475 1HG2 ILE 77 HG23 ILE 77 -3.204 -9.693 4.347 476 2HG2 ILE 77 HG22 ILE 77 -3.481 -10.964 5.537 477 3HG2 ILE 77 HG21 ILE 77 -3.618 -11.322 3.816 478 1HD1 ILE 77 HD13 ILE 77 -6.600 -12.035 6.111 479 2HD1 ILE 77 HD12 ILE 77 -4.933 -11.984 6.683 480 3HD1 ILE 77 HD11 ILE 77 -6.235 -11.379 7.707 481 H PHE 78 HN PHE 78 -6.132 -10.155 1.797 482 HA PHE 78 HA PHE 78 -3.698 -10.149 0.346 483 1HB PHE 78 HB2 PHE 78 -6.585 -10.454 -0.435 484 2HB PHE 78 HB1 PHE 78 -5.355 -10.322 -1.691 485 HD1 PHE 78 HD1 PHE 78 -4.705 -11.808 1.626 486 HD2 PHE 78 HD2 PHE 78 -5.564 -12.597 -2.508 487 HE1 PHE 78 HE1 PHE 78 -4.102 -14.191 1.956 488 HE2 PHE 78 HE2 PHE 78 -4.963 -14.981 -2.178 489 HZ PHE 78 HZ PHE 78 -4.231 -15.777 0.054 490 H GLY 79 HN GLY 79 -6.468 -7.892 0.144 491 1HA GLY 79 HA2 GLY 79 -5.409 -6.223 -1.892 492 2HA GLY 79 HA1 GLY 79 -6.527 -5.671 -0.642 493 H VAL 80 HN VAL 80 -5.031 -5.999 1.661 494 HA VAL 80 HA VAL 80 -3.380 -3.690 1.702 495 HB VAL 80 HB VAL 80 -3.313 -6.109 3.530 496 1HG1 VAL 80 HG11 VAL 80 -1.293 -4.694 3.714 497 2HG1 VAL 80 HG13 VAL 80 -2.312 -3.274 3.942 498 3HG1 VAL 80 HG12 VAL 80 -2.300 -4.555 5.155 499 1HG2 VAL 80 HG22 VAL 80 -5.420 -4.416 3.078 500 2HG2 VAL 80 HG21 VAL 80 -5.122 -5.231 4.613 501 3HG2 VAL 80 HG23 VAL 80 -4.578 -3.571 4.378 502 H MET 81 HN MET 81 -2.496 -7.136 1.480 503 HA MET 81 HA MET 81 0.317 -6.795 1.328 504 1HB MET 81 HB2 MET 81 -1.437 -8.884 -0.001 505 2HB MET 81 HB1 MET 81 0.317 -8.995 0.161 506 1HG MET 81 HG2 MET 81 -0.922 -8.365 2.710 507 2HG MET 81 HG1 MET 81 -1.594 -9.848 2.033 508 1HE MET 81 HE2 MET 81 -0.925 -11.623 3.197 509 2HE MET 81 HE1 MET 81 -0.202 -12.107 1.664 510 3HE MET 81 HE3 MET 81 0.676 -12.357 3.180 511 H ALA 82 HN ALA 82 -2.121 -6.894 -1.274 512 HA ALA 82 HA ALA 82 -0.346 -6.584 -3.451 513 1HB ALA 82 HB3 ALA 82 -3.223 -6.328 -3.016 514 2HB ALA 82 HB2 ALA 82 -2.627 -5.166 -4.206 515 3HB ALA 82 HB1 ALA 82 -2.347 -6.890 -4.439 516 H GLY 83 HN GLY 83 -1.961 -4.030 -1.489 517 1HA GLY 83 HA2 GLY 83 -0.938 -1.819 -2.937 518 2HA GLY 83 HA1 GLY 83 -1.342 -1.783 -1.217 519 H VAL 84 HN VAL 84 0.458 -3.590 -0.161 520 HA VAL 84 HA VAL 84 2.837 -2.066 0.083 521 HB VAL 84 HB VAL 84 2.486 -5.049 0.503 522 1HG1 VAL 84 HG11 VAL 84 4.646 -3.076 1.135 523 2HG1 VAL 84 HG13 VAL 84 4.323 -4.360 2.300 524 3HG1 VAL 84 HG12 VAL 84 4.781 -4.765 0.646 525 1HG2 VAL 84 HG23 VAL 84 1.354 -2.784 1.846 526 2HG2 VAL 84 HG22 VAL 84 1.203 -4.490 2.269 527 3HG2 VAL 84 HG21 VAL 84 2.533 -3.534 2.922 528 H ILE 85 HN ILE 85 2.208 -4.970 -1.923 529 HA ILE 85 HA ILE 85 4.792 -5.186 -3.057 530 HB ILE 85 HB ILE 85 2.111 -5.781 -4.346 531 1HG1 ILE 85 HG12 ILE 85 4.020 -7.685 -2.967 532 2HG1 ILE 85 HG11 ILE 85 2.684 -6.904 -2.119 533 1HG2 ILE 85 HG23 ILE 85 4.534 -5.664 -5.606 534 2HG2 ILE 85 HG22 ILE 85 4.518 -7.341 -5.060 535 3HG2 ILE 85 HG21 ILE 85 3.221 -6.737 -6.091 536 1HD1 ILE 85 HD11 ILE 85 1.268 -7.815 -4.156 537 2HD1 ILE 85 HD13 ILE 85 2.599 -8.963 -4.297 538 3HD1 ILE 85 HD12 ILE 85 1.665 -8.878 -2.805 539 H GLY 86 HN GLY 86 1.964 -3.326 -4.242 540 1HA GLY 86 HA2 GLY 86 3.179 -2.279 -6.576 541 2HA GLY 86 HA1 GLY 86 1.890 -1.473 -5.679 542 H THR 87 HN THR 87 3.104 -0.952 -3.263 543 HA THR 87 HA THR 87 4.589 1.406 -3.772 544 HB THR 87 HB THR 87 4.726 -0.283 -1.258 545 HG1 THR 87 HG1 THR 87 2.579 0.158 -1.859 546 1HG2 THR 87 HG22 THR 87 5.415 2.542 -1.991 547 2HG2 THR 87 HG21 THR 87 4.849 2.196 -0.358 548 3HG2 THR 87 HG23 THR 87 6.301 1.407 -0.974 549 H ILE 88 HN ILE 88 5.741 -1.847 -2.836 550 HA ILE 88 HA ILE 88 8.504 -1.237 -2.738 551 HB ILE 88 HB ILE 88 7.048 -3.777 -3.506 552 1HG1 ILE 88 HG12 ILE 88 8.576 -2.909 -1.029 553 2HG1 ILE 88 HG11 ILE 88 6.821 -3.020 -1.167 554 1HG2 ILE 88 HG23 ILE 88 9.965 -3.110 -3.465 555 2HG2 ILE 88 HG22 ILE 88 9.467 -4.693 -2.868 556 3HG2 ILE 88 HG21 ILE 88 9.083 -4.213 -4.522 557 1HD1 ILE 88 HD13 ILE 88 8.379 -5.447 -1.905 558 2HD1 ILE 88 HD12 ILE 88 8.310 -5.035 -0.192 559 3HD1 ILE 88 HD11 ILE 88 6.820 -5.315 -1.092 560 H LEU 89 HN LEU 89 6.515 -2.320 -5.510 561 HA LEU 89 HA LEU 89 8.606 -2.355 -7.426 562 1HB LEU 89 HB2 LEU 89 6.823 -3.136 -8.584 563 2HB LEU 89 HB1 LEU 89 5.698 -2.441 -7.424 564 HG LEU 89 HG LEU 89 5.979 -0.227 -8.580 565 1HD1 LEU 89 HD13 LEU 89 8.207 -1.326 -9.674 566 2HD1 LEU 89 HD12 LEU 89 7.058 -1.591 -10.986 567 3HD1 LEU 89 HD11 LEU 89 7.354 0.042 -10.390 568 1HD2 LEU 89 HD21 LEU 89 4.919 -2.654 -10.032 569 2HD2 LEU 89 HD23 LEU 89 4.015 -1.404 -9.175 570 3HD2 LEU 89 HD22 LEU 89 4.766 -1.040 -10.729 571 H LEU 90 HN LEU 90 6.433 0.292 -6.423 572 HA LEU 90 HA LEU 90 7.471 2.309 -8.141 573 1HB LEU 90 HB2 LEU 90 5.463 2.351 -6.417 574 2HB LEU 90 HB1 LEU 90 6.693 2.976 -5.317 575 HG LEU 90 HG LEU 90 7.264 4.698 -7.076 576 1HD1 LEU 90 HD11 LEU 90 5.432 3.075 -8.577 577 2HD1 LEU 90 HD13 LEU 90 4.771 4.705 -8.447 578 3HD1 LEU 90 HD12 LEU 90 6.378 4.457 -9.130 579 1HD2 LEU 90 HD21 LEU 90 5.149 4.619 -5.208 580 2HD2 LEU 90 HD23 LEU 90 5.896 6.057 -5.903 581 3HD2 LEU 90 HD22 LEU 90 4.471 5.349 -6.663 582 H ILE 91 HN ILE 91 8.479 1.365 -4.844 583 HA ILE 91 HA ILE 91 10.564 3.260 -4.529 584 HB ILE 91 HB ILE 91 10.294 0.427 -3.487 585 1HG1 ILE 91 HG12 ILE 91 10.018 3.048 -2.004 586 2HG1 ILE 91 HG11 ILE 91 8.649 2.284 -2.813 587 1HG2 ILE 91 HG23 ILE 91 12.323 2.585 -2.851 588 2HG2 ILE 91 HG22 ILE 91 12.026 1.199 -1.803 589 3HG2 ILE 91 HG21 ILE 91 12.643 0.952 -3.437 590 1HD1 ILE 91 HD13 ILE 91 9.854 0.211 -1.373 591 2HD1 ILE 91 HD12 ILE 91 9.905 1.594 -0.280 592 3HD1 ILE 91 HD11 ILE 91 8.364 1.052 -0.945 593 H SER 92 HN SER 92 10.709 -0.045 -5.914 594 HA SER 92 HA SER 92 13.486 -0.017 -6.496 595 1HB SER 92 HB2 SER 92 11.206 -1.312 -8.023 596 2HB SER 92 HB1 SER 92 12.910 -1.653 -8.304 597 HG SER 92 HG SER 92 12.995 -2.208 -6.023 598 H TYR 93 HN TYR 93 10.703 1.045 -8.464 599 HA TYR 93 HA TYR 93 12.177 1.951 -10.715 600 1HB TYR 93 HB2 TYR 93 9.620 1.785 -10.409 601 2HB TYR 93 HB1 TYR 93 9.733 3.367 -9.638 602 HD1 TYR 93 HD1 TYR 93 11.396 1.789 -12.615 603 HD2 TYR 93 HD2 TYR 93 9.084 5.068 -11.084 604 HE1 TYR 93 HE1 TYR 93 11.459 2.874 -14.844 605 HE2 TYR 93 HE2 TYR 93 9.146 6.153 -13.313 606 HH TYR 93 HH TYR 93 9.870 6.022 -15.398 607 H GLY 94 HN GLY 94 11.199 3.726 -7.755 608 1HA GLY 94 HA2 GLY 94 12.370 6.217 -8.431 609 2HA GLY 94 HA1 GLY 94 12.132 5.643 -6.778 610 H ILE 95 HN ILE 95 13.769 3.435 -6.677 611 HA ILE 95 HA ILE 95 16.339 4.556 -6.233 612 HB ILE 95 HB ILE 95 15.350 1.724 -6.554 613 1HG1 ILE 95 HG12 ILE 95 16.639 1.976 -4.146 614 2HG1 ILE 95 HG11 ILE 95 16.029 3.614 -4.387 615 1HG2 ILE 95 HG21 ILE 95 18.189 2.708 -6.483 616 2HG2 ILE 95 HG23 ILE 95 17.777 1.198 -5.671 617 3HG2 ILE 95 HG22 ILE 95 17.498 1.372 -7.403 618 1HD1 ILE 95 HD13 ILE 95 14.159 1.359 -4.951 619 2HD1 ILE 95 HD12 ILE 95 14.526 1.708 -3.261 620 3HD1 ILE 95 HD11 ILE 95 13.824 2.959 -4.288 621 H ARG 96 HN ARG 96 15.139 2.645 -9.003 622 HA ARG 96 HA ARG 96 17.541 2.595 -10.496 623 1HB ARG 96 HB2 ARG 96 14.658 2.721 -11.429 624 2HB ARG 96 HB1 ARG 96 16.024 2.392 -12.497 625 1HG ARG 96 HG2 ARG 96 16.495 0.607 -10.480 626 2HG ARG 96 HG1 ARG 96 14.731 0.640 -10.500 627 1HD ARG 96 HD2 ARG 96 15.839 0.567 -13.196 628 2HD ARG 96 HD1 ARG 96 16.367 -0.814 -12.234 629 HE ARG 96 HE ARG 96 13.644 -0.676 -11.748 630 1HH1 ARG 96 HH11 ARG 96 15.342 -2.641 -13.539 631 2HH1 ARG 96 HH12 ARG 96 14.338 -2.670 -14.949 632 1HH2 ARG 96 HH21 ARG 96 12.472 0.095 -14.003 633 2HH2 ARG 96 HH22 ARG 96 12.715 -1.121 -15.212 634 H ARG 97 HN ARG 97 14.906 5.003 -10.538 635 HA ARG 97 HA ARG 97 16.020 6.719 -12.499 636 1HB ARG 97 HB2 ARG 97 13.929 6.915 -10.468 637 2HB ARG 97 HB1 ARG 97 14.787 8.440 -10.683 638 1HG ARG 97 HG2 ARG 97 14.271 7.184 -13.246 639 2HG ARG 97 HG1 ARG 97 12.773 7.406 -12.343 640 1HD ARG 97 HD2 ARG 97 13.821 9.801 -11.860 641 2HD ARG 97 HD1 ARG 97 14.701 9.460 -13.351 642 HE ARG 97 HE ARG 97 12.074 8.873 -13.995 643 1HH1 ARG 97 HH21 ARG 97 13.924 11.355 -14.679 644 2HH1 ARG 97 HH22 ARG 97 12.775 12.626 -14.423 645 1HH2 ARG 97 HH11 ARG 97 10.499 10.596 -12.773 646 2HH2 ARG 97 HH12 ARG 97 10.837 12.196 -13.343 647 H LEU 98 HN LEU 98 16.453 6.774 -8.956 648 HA LEU 98 HA LEU 98 18.136 9.045 -8.832 649 1HB LEU 98 HB2 LEU 98 17.847 6.577 -7.135 650 2HB LEU 98 HB1 LEU 98 19.133 7.733 -6.790 651 HG LEU 98 HG LEU 98 16.407 8.849 -7.236 652 1HD1 LEU 98 HD13 LEU 98 17.128 6.961 -5.048 653 2HD1 LEU 98 HD12 LEU 98 16.250 8.418 -4.583 654 3HD1 LEU 98 HD11 LEU 98 15.553 7.307 -5.762 655 1HD2 LEU 98 HD23 LEU 98 18.870 9.799 -6.383 656 2HD2 LEU 98 HD22 LEU 98 17.327 10.626 -6.167 657 3HD2 LEU 98 HD21 LEU 98 17.973 9.615 -4.875 658 H ILE 99 HN ILE 99 18.991 5.609 -9.270 659 HA ILE 99 HA ILE 99 21.824 6.154 -9.555 660 HB ILE 99 HB ILE 99 21.925 3.802 -10.353 661 1HG1 ILE 99 HG12 ILE 99 18.907 3.894 -10.051 662 2HG1 ILE 99 HG11 ILE 99 19.746 3.919 -11.602 663 1HG2 ILE 99 HG22 ILE 99 20.822 4.745 -7.837 664 2HG2 ILE 99 HG21 ILE 99 20.236 3.125 -8.215 665 3HG2 ILE 99 HG23 ILE 99 21.969 3.437 -8.126 666 1HD1 ILE 99 HD12 ILE 99 20.933 1.765 -10.710 667 2HD1 ILE 99 HD11 ILE 99 19.577 1.690 -9.587 668 3HD1 ILE 99 HD13 ILE 99 19.286 1.636 -11.326 669 H LYS 100 HN LYS 100 19.102 5.813 -11.789 670 HA LYS 100 HA LYS 100 20.857 5.954 -14.132 671 1HB LYS 100 HB2 LYS 100 18.998 5.447 -15.399 672 2HB LYS 100 HB1 LYS 100 18.459 4.811 -13.848 673 1HG LYS 100 HG2 LYS 100 16.632 6.124 -14.167 674 2HG LYS 100 HG1 LYS 100 17.680 7.461 -13.691 675 1HD LYS 100 HD2 LYS 100 17.330 8.352 -15.730 676 2HD LYS 100 HD1 LYS 100 18.259 7.011 -16.403 677 1HE LYS 100 HE2 LYS 100 15.265 7.034 -15.913 678 2HE LYS 100 HE1 LYS 100 16.061 7.130 -17.483 679 1HZ LYS 100 HZ1 LYS 100 16.918 4.904 -15.871 680 2HZ LYS 100 HZ3 LYS 100 15.273 4.848 -16.282 681 3HZ LYS 100 HZ2 LYS 100 16.449 4.948 -17.504 682 H LYS 101 HN LYS 101 20.262 8.200 -11.971 683 HA LYS 101 HA LYS 101 19.918 10.546 -11.994 684 1HB LYS 101 HB2 LYS 101 21.487 11.650 -13.623 685 2HB LYS 101 HB1 LYS 101 22.247 10.398 -12.643 686 1HG LYS 101 HG2 LYS 101 21.995 8.783 -14.482 687 2HG LYS 101 HG1 LYS 101 21.201 10.015 -15.464 688 1HD LYS 101 HD2 LYS 101 23.285 10.474 -16.233 689 2HD LYS 101 HD1 LYS 101 23.516 11.291 -14.687 690 1HE LYS 101 HE2 LYS 101 23.905 8.428 -14.412 691 2HE LYS 101 HE1 LYS 101 24.971 9.092 -15.650 692 1HZ LYS 101 HZ1 LYS 101 25.455 10.896 -13.936 693 2HZ LYS 101 HZ3 LYS 101 24.769 9.840 -12.801 694 3HZ LYS 101 HZ2 LYS 101 26.143 9.364 -13.680 No H/Q in entry = 694 Start of MODEL 8 1 1H VAL 62 HT2 VAL 62 -29.214 12.682 -1.953 2 2H VAL 62 HT1 VAL 62 -30.492 13.359 -1.060 3 3H VAL 62 HT3 VAL 62 -29.318 14.366 -1.756 4 HA VAL 62 HA VAL 62 -27.643 13.618 -0.281 5 HB VAL 62 HB VAL 62 -28.513 14.410 1.803 6 1HG1 VAL 62 HG11 VAL 62 -28.744 15.855 -0.412 7 2HG1 VAL 62 HG13 VAL 62 -30.468 15.697 -0.068 8 3HG1 VAL 62 HG12 VAL 62 -29.396 16.443 1.118 9 1HG2 VAL 62 HG22 VAL 62 -31.146 13.387 0.724 10 2HG2 VAL 62 HG21 VAL 62 -30.338 12.944 2.227 11 3HG2 VAL 62 HG23 VAL 62 -31.077 14.536 2.059 12 H GLN 63 HN GLN 63 -27.148 12.224 1.657 13 HA GLN 63 HA GLN 63 -26.977 10.081 2.594 14 1HB GLN 63 HB2 GLN 63 -29.353 10.807 3.283 15 2HB GLN 63 HB1 GLN 63 -29.921 9.782 1.966 16 1HG GLN 63 HG2 GLN 63 -29.888 8.587 4.151 17 2HG GLN 63 HG1 GLN 63 -28.822 7.836 2.963 18 1HE2 GLN 63 HE22 GLN 63 -26.232 8.012 5.349 19 2HE2 GLN 63 HE21 GLN 63 -27.158 7.036 4.316 20 H LEU 64 HN LEU 64 -27.042 7.754 1.994 21 HA LEU 64 HA LEU 64 -27.757 7.227 -0.842 22 1HB LEU 64 HB2 LEU 64 -25.387 5.857 -0.635 23 2HB LEU 64 HB1 LEU 64 -25.567 7.423 -1.424 24 HG LEU 64 HG LEU 64 -25.079 8.519 0.786 25 1HD1 LEU 64 HD12 LEU 64 -25.396 5.830 1.692 26 2HD1 LEU 64 HD11 LEU 64 -23.730 6.313 2.013 27 3HD1 LEU 64 HD13 LEU 64 -25.065 7.269 2.657 28 1HD2 LEU 64 HD23 LEU 64 -23.224 6.925 -0.857 29 2HD2 LEU 64 HD22 LEU 64 -23.101 8.605 -0.334 30 3HD2 LEU 64 HD21 LEU 64 -22.605 7.305 0.750 31 H ALA 65 HN ALA 65 -27.064 4.700 -1.188 32 HA ALA 65 HA ALA 65 -28.232 3.273 1.164 33 1HB ALA 65 HB3 ALA 65 -28.614 2.959 -1.790 34 2HB ALA 65 HB2 ALA 65 -28.744 1.530 -0.767 35 3HB ALA 65 HB1 ALA 65 -29.812 2.907 -0.496 36 H HIS 66 HN HIS 66 -25.584 3.599 1.391 37 HA HIS 66 HA HIS 66 -24.289 1.191 0.209 38 1HB HIS 66 HB2 HIS 66 -23.367 3.845 1.049 39 2HB HIS 66 HB1 HIS 66 -22.352 2.540 1.665 40 HD1 HIS 66 HD1 HIS 66 -22.181 4.687 -0.989 41 HD2 HIS 66 HD2 HIS 66 -22.281 0.521 -0.872 42 HE1 HIS 66 HE1 HIS 66 -21.194 3.884 -3.180 43 H HIS 67 HN HIS 67 -25.917 2.104 2.984 44 HA HIS 67 HA HIS 67 -24.296 0.861 5.015 45 1HB HIS 67 HB2 HIS 67 -26.058 2.428 5.634 46 2HB HIS 67 HB1 HIS 67 -27.280 1.393 4.895 47 HD1 HIS 67 HD1 HIS 67 -28.265 -0.413 6.341 48 HD2 HIS 67 HD2 HIS 67 -24.744 1.130 7.953 49 HE1 HIS 67 HE1 HIS 67 -28.004 -1.465 8.630 50 H PHE 68 HN PHE 68 -23.832 -1.065 3.467 51 HA PHE 68 HA PHE 68 -25.995 -3.067 3.365 52 1HB PHE 68 HB2 PHE 68 -23.654 -2.560 1.856 53 2HB PHE 68 HB1 PHE 68 -23.406 -4.118 2.645 54 HD1 PHE 68 HD1 PHE 68 -26.126 -2.223 0.872 55 HD2 PHE 68 HD2 PHE 68 -24.244 -6.017 1.592 56 HE1 PHE 68 HE1 PHE 68 -27.663 -3.294 -0.754 57 HE2 PHE 68 HE2 PHE 68 -25.782 -7.087 -0.034 58 HZ PHE 68 HZ PHE 68 -27.490 -5.725 -1.207 59 H SER 69 HN SER 69 -25.201 -5.400 4.030 60 HA SER 69 HA SER 69 -24.978 -5.531 6.819 61 1HB SER 69 HB2 SER 69 -23.911 -7.562 4.835 62 2HB SER 69 HB1 SER 69 -24.321 -7.874 6.520 63 HG SER 69 HG SER 69 -26.012 -8.429 5.049 64 H GLU 70 HN GLU 70 -22.296 -6.098 4.501 65 HA GLU 70 HA GLU 70 -20.452 -4.786 6.412 66 1HB GLU 70 HB2 GLU 70 -20.603 -7.673 5.948 67 2HB GLU 70 HB1 GLU 70 -18.994 -7.016 5.638 68 1HG GLU 70 HG2 GLU 70 -20.470 -6.187 8.119 69 2HG GLU 70 HG1 GLU 70 -19.651 -7.748 8.078 70 HA PRO 71 HA PRO 71 -19.535 -3.399 2.190 71 1HB PRO 71 HB2 PRO 71 -17.763 -1.473 3.401 72 2HB PRO 71 HB1 PRO 71 -19.322 -1.180 2.620 73 1HG PRO 71 HG2 PRO 71 -18.727 -1.080 5.437 74 2HG PRO 71 HG1 PRO 71 -20.287 -0.808 4.649 75 1HD PRO 71 HD2 PRO 71 -19.486 -3.079 6.229 76 2HD PRO 71 HD1 PRO 71 -21.044 -2.811 5.419 77 H GLU 72 HN GLU 72 -18.343 -5.560 2.173 78 HA GLU 72 HA GLU 72 -15.718 -5.902 3.175 79 1HB GLU 72 HB2 GLU 72 -15.476 -7.633 1.413 80 2HB GLU 72 HB1 GLU 72 -17.027 -7.760 2.244 81 1HG GLU 72 HG2 GLU 72 -17.877 -6.181 0.332 82 2HG GLU 72 HG1 GLU 72 -16.445 -6.752 -0.526 83 H ILE 73 HN ILE 73 -16.751 -4.697 -0.040 84 HA ILE 73 HA ILE 73 -14.186 -4.265 -1.116 85 HB ILE 73 HB ILE 73 -16.436 -4.055 -2.285 86 1HG1 ILE 73 HG12 ILE 73 -15.489 -1.818 -3.475 87 2HG1 ILE 73 HG11 ILE 73 -14.060 -2.308 -2.563 88 1HG2 ILE 73 HG23 ILE 73 -17.393 -2.497 -0.558 89 2HG2 ILE 73 HG22 ILE 73 -16.302 -1.245 -1.152 90 3HG2 ILE 73 HG21 ILE 73 -17.550 -1.902 -2.211 91 1HD1 ILE 73 HD13 ILE 73 -14.904 -4.705 -3.586 92 2HD1 ILE 73 HD12 ILE 73 -15.333 -3.595 -4.889 93 3HD1 ILE 73 HD11 ILE 73 -13.665 -3.689 -4.324 94 H THR 74 HN THR 74 -16.204 -2.033 0.820 95 HA THR 74 HA THR 74 -14.433 0.179 0.773 96 HB THR 74 HB THR 74 -15.848 -0.394 3.328 97 HG1 THR 74 HG1 THR 74 -17.800 0.322 2.028 98 1HG2 THR 74 HG22 THR 74 -14.887 1.842 1.857 99 2HG2 THR 74 HG21 THR 74 -16.641 1.993 1.956 100 3HG2 THR 74 HG23 THR 74 -15.685 1.843 3.430 101 H LEU 75 HN LEU 75 -14.613 -2.548 3.068 102 HA LEU 75 HA LEU 75 -12.372 -1.686 4.656 103 1HB LEU 75 HB2 LEU 75 -14.222 -3.495 5.140 104 2HB LEU 75 HB1 LEU 75 -13.091 -4.585 4.338 105 HG LEU 75 HG LEU 75 -12.620 -2.927 6.824 106 1HD1 LEU 75 HD12 LEU 75 -13.592 -5.467 6.526 107 2HD1 LEU 75 HD11 LEU 75 -11.861 -5.778 6.660 108 3HD1 LEU 75 HD13 LEU 75 -12.703 -4.908 7.943 109 1HD2 LEU 75 HD21 LEU 75 -10.666 -4.295 4.969 110 2HD2 LEU 75 HD23 LEU 75 -10.600 -2.653 5.607 111 3HD2 LEU 75 HD22 LEU 75 -10.288 -4.025 6.670 112 H ILE 76 HN ILE 76 -12.619 -4.051 1.968 113 HA ILE 76 HA ILE 76 -9.896 -4.829 1.976 114 HB ILE 76 HB ILE 76 -11.822 -4.530 -0.352 115 1HG1 ILE 76 HG12 ILE 76 -10.917 -7.052 1.045 116 2HG1 ILE 76 HG11 ILE 76 -12.323 -6.139 1.594 117 1HG2 ILE 76 HG22 ILE 76 -9.281 -4.568 -0.858 118 2HG2 ILE 76 HG21 ILE 76 -9.339 -6.241 -0.306 119 3HG2 ILE 76 HG23 ILE 76 -10.303 -5.736 -1.693 120 1HD1 ILE 76 HD13 ILE 76 -12.237 -6.654 -1.312 121 2HD1 ILE 76 HD12 ILE 76 -12.427 -8.092 -0.311 122 3HD1 ILE 76 HD11 ILE 76 -13.590 -6.773 -0.188 123 H ILE 77 HN ILE 77 -11.486 -2.150 0.195 124 HA ILE 77 HA ILE 77 -9.128 -1.149 -1.043 125 HB ILE 77 HB ILE 77 -11.646 0.246 -0.098 126 1HG1 ILE 77 HG12 ILE 77 -11.723 -1.424 -2.006 127 2HG1 ILE 77 HG11 ILE 77 -12.243 0.206 -2.436 128 1HG2 ILE 77 HG23 ILE 77 -9.675 1.800 -0.144 129 2HG2 ILE 77 HG22 ILE 77 -9.441 1.385 -1.842 130 3HG2 ILE 77 HG21 ILE 77 -10.915 2.209 -1.329 131 1HD1 ILE 77 HD12 ILE 77 -9.962 0.681 -3.303 132 2HD1 ILE 77 HD11 ILE 77 -9.496 -0.980 -2.934 133 3HD1 ILE 77 HD13 ILE 77 -10.728 -0.660 -4.155 134 H PHE 78 HN PHE 78 -10.619 -0.339 2.089 135 HA PHE 78 HA PHE 78 -8.730 1.592 2.934 136 1HB PHE 78 HB2 PHE 78 -10.546 -0.308 4.397 137 2HB PHE 78 HB1 PHE 78 -9.393 0.676 5.296 138 HD1 PHE 78 HD2 PHE 78 -11.086 1.642 2.131 139 HD2 PHE 78 HD1 PHE 78 -10.882 2.196 6.385 140 HE1 PHE 78 HE2 PHE 78 -12.600 3.597 1.948 141 HE2 PHE 78 HE1 PHE 78 -12.396 4.152 6.203 142 HZ PHE 78 HZ PHE 78 -13.255 4.852 3.985 143 H GLY 79 HN GLY 79 -8.716 -1.954 3.479 144 1HA GLY 79 HA2 GLY 79 -6.329 -2.043 5.007 145 2HA GLY 79 HA1 GLY 79 -6.903 -3.367 3.992 146 H VAL 80 HN VAL 80 -6.749 -2.277 1.460 147 HA VAL 80 HA VAL 80 -4.000 -2.551 0.812 148 HB VAL 80 HB VAL 80 -6.230 -1.183 -0.720 149 1HG1 VAL 80 HG11 VAL 80 -3.459 -2.072 -1.570 150 2HG1 VAL 80 HG13 VAL 80 -4.743 -1.634 -2.697 151 3HG1 VAL 80 HG12 VAL 80 -4.095 -0.428 -1.587 152 1HG2 VAL 80 HG21 VAL 80 -5.926 -3.852 -0.020 153 2HG2 VAL 80 HG23 VAL 80 -6.862 -3.260 -1.394 154 3HG2 VAL 80 HG22 VAL 80 -5.195 -3.783 -1.624 155 H MET 81 HN MET 81 -5.983 0.397 1.154 156 HA MET 81 HA MET 81 -3.936 2.285 0.606 157 1HB MET 81 HB2 MET 81 -6.171 2.621 2.627 158 2HB MET 81 HB1 MET 81 -5.329 3.898 1.749 159 1HG MET 81 HG2 MET 81 -6.332 2.021 -0.161 160 2HG MET 81 HG1 MET 81 -7.646 2.443 0.937 161 1HE MET 81 HE3 MET 81 -4.591 3.718 -0.686 162 2HE MET 81 HE2 MET 81 -4.978 5.257 -1.451 163 3HE MET 81 HE1 MET 81 -4.692 5.193 0.285 164 H ALA 82 HN ALA 82 -4.953 0.841 3.703 165 HA ALA 82 HA ALA 82 -3.109 2.199 5.359 166 1HB ALA 82 HB3 ALA 82 -4.837 -0.143 5.596 167 2HB ALA 82 HB2 ALA 82 -3.332 -0.336 6.500 168 3HB ALA 82 HB1 ALA 82 -4.381 1.045 6.815 169 H GLY 83 HN GLY 83 -2.686 -0.919 3.609 170 1HA GLY 83 HA2 GLY 83 -0.086 -1.482 4.576 171 2HA GLY 83 HA1 GLY 83 -0.697 -2.003 3.004 172 H VAL 84 HN VAL 84 -1.071 0.406 1.688 173 HA VAL 84 HA VAL 84 1.547 1.047 0.799 174 HB VAL 84 HB VAL 84 -0.975 2.726 0.668 175 1HG1 VAL 84 HG11 VAL 84 1.763 3.013 -0.525 176 2HG1 VAL 84 HG13 VAL 84 0.363 3.541 -1.459 177 3HG1 VAL 84 HG12 VAL 84 0.691 4.257 0.118 178 1HG2 VAL 84 HG21 VAL 84 0.118 0.431 -0.884 179 2HG2 VAL 84 HG23 VAL 84 -1.559 0.895 -0.593 180 3HG2 VAL 84 HG22 VAL 84 -0.611 1.739 -1.817 181 H ILE 85 HN ILE 85 -0.566 2.830 3.073 182 HA ILE 85 HA ILE 85 1.207 4.968 3.625 183 HB ILE 85 HB ILE 85 -0.778 3.607 5.474 184 1HG1 ILE 85 HG12 ILE 85 -1.715 4.494 3.337 185 2HG1 ILE 85 HG11 ILE 85 -2.300 5.382 4.744 186 1HG2 ILE 85 HG21 ILE 85 0.953 6.025 5.725 187 2HG2 ILE 85 HG23 ILE 85 -0.701 6.149 6.325 188 3HG2 ILE 85 HG22 ILE 85 0.382 4.917 6.973 189 1HD1 ILE 85 HD12 ILE 85 -0.069 6.818 4.174 190 2HD1 ILE 85 HD11 ILE 85 -0.510 6.276 2.554 191 3HD1 ILE 85 HD13 ILE 85 -1.660 7.202 3.518 192 H GLY 86 HN GLY 86 0.893 1.811 5.280 193 1HA GLY 86 HA2 GLY 86 2.875 2.222 7.252 194 2HA GLY 86 HA1 GLY 86 2.435 0.643 6.600 195 H THR 87 HN THR 87 3.225 0.870 3.956 196 HA THR 87 HA THR 87 6.000 0.334 4.089 197 HB THR 87 HB THR 87 4.356 1.263 1.715 198 HG1 THR 87 HG1 THR 87 3.667 -0.676 2.727 199 1HG2 THR 87 HG22 THR 87 7.163 0.248 2.013 200 2HG2 THR 87 HG21 THR 87 6.251 -0.154 0.559 201 3HG2 THR 87 HG23 THR 87 6.548 1.534 0.975 202 H ILE 88 HN ILE 88 4.329 3.335 3.063 203 HA ILE 88 HA ILE 88 6.663 4.835 2.461 204 HB ILE 88 HB ILE 88 4.070 5.833 3.682 205 1HG1 ILE 88 HG12 ILE 88 4.944 5.519 0.791 206 2HG1 ILE 88 HG11 ILE 88 3.707 4.560 1.606 207 1HG2 ILE 88 HG22 ILE 88 6.468 7.156 2.462 208 2HG2 ILE 88 HG21 ILE 88 4.880 7.877 2.207 209 3HG2 ILE 88 HG23 ILE 88 5.497 7.661 3.845 210 1HD1 ILE 88 HD12 ILE 88 2.567 6.828 2.111 211 2HD1 ILE 88 HD11 ILE 88 3.626 7.482 0.863 212 3HD1 ILE 88 HD13 ILE 88 2.469 6.213 0.462 213 H LEU 89 HN LEU 89 4.896 4.514 5.544 214 HA LEU 89 HA LEU 89 6.564 6.203 7.090 215 1HB LEU 89 HB2 LEU 89 5.009 5.646 8.620 216 2HB LEU 89 HB1 LEU 89 4.403 4.389 7.551 217 HG LEU 89 HG LEU 89 6.202 2.865 8.468 218 1HD1 LEU 89 HD13 LEU 89 6.893 5.367 9.807 219 2HD1 LEU 89 HD12 LEU 89 6.697 4.036 10.946 220 3HD1 LEU 89 HD11 LEU 89 7.851 3.898 9.619 221 1HD2 LEU 89 HD22 LEU 89 3.709 3.592 9.519 222 2HD2 LEU 89 HD21 LEU 89 4.614 2.125 9.894 223 3HD2 LEU 89 HD23 LEU 89 4.785 3.551 10.917 224 H LEU 90 HN LEU 90 6.824 2.696 6.477 225 HA LEU 90 HA LEU 90 9.131 2.206 8.058 226 1HB LEU 90 HB2 LEU 90 7.942 0.336 7.114 227 2HB LEU 90 HB1 LEU 90 8.195 0.929 5.471 228 HG LEU 90 HG LEU 90 10.656 0.664 5.800 229 1HD1 LEU 90 HD11 LEU 90 10.163 0.691 8.437 230 2HD1 LEU 90 HD13 LEU 90 10.151 -1.054 8.186 231 3HD1 LEU 90 HD12 LEU 90 11.580 -0.111 7.762 232 1HD2 LEU 90 HD22 LEU 90 8.690 -1.574 5.895 233 2HD2 LEU 90 HD21 LEU 90 9.895 -1.189 4.666 234 3HD2 LEU 90 HD23 LEU 90 10.382 -1.993 6.158 235 H ILE 91 HN ILE 91 8.905 3.182 4.628 236 HA ILE 91 HA ILE 91 11.687 3.250 4.084 237 HB ILE 91 HB ILE 91 9.564 5.130 3.000 238 1HG1 ILE 91 HG12 ILE 91 10.509 2.515 1.803 239 2HG1 ILE 91 HG11 ILE 91 9.093 2.615 2.851 240 1HG2 ILE 91 HG23 ILE 91 12.268 5.260 2.645 241 2HG2 ILE 91 HG22 ILE 91 11.810 4.185 1.323 242 3HG2 ILE 91 HG21 ILE 91 11.092 5.791 1.443 243 1HD1 ILE 91 HD11 ILE 91 8.095 4.292 1.322 244 2HD1 ILE 91 HD13 ILE 91 9.496 4.143 0.262 245 3HD1 ILE 91 HD12 ILE 91 8.416 2.768 0.494 246 H SER 92 HN SER 92 9.567 5.851 5.349 247 HA SER 92 HA SER 92 11.578 7.841 5.522 248 1HB SER 92 HB2 SER 92 9.813 7.941 7.817 249 2HB SER 92 HB1 SER 92 9.891 9.027 6.433 250 HG SER 92 HG SER 92 7.941 7.503 6.924 251 H TYR 93 HN TYR 93 10.583 5.393 7.941 252 HA TYR 93 HA TYR 93 12.469 6.119 9.938 253 1HB TYR 93 HB2 TYR 93 10.558 4.152 9.680 254 2HB TYR 93 HB1 TYR 93 12.056 3.221 9.641 255 HD1 TYR 93 HD2 TYR 93 13.743 3.511 11.499 256 HD2 TYR 93 HD1 TYR 93 9.782 5.159 11.696 257 HE1 TYR 93 HE2 TYR 93 13.977 3.780 13.955 258 HE2 TYR 93 HE1 TYR 93 10.015 5.428 14.150 259 HH TYR 93 HH TYR 93 11.260 4.744 15.962 260 H GLY 94 HN GLY 94 12.783 3.781 7.245 261 1HA GLY 94 HA2 GLY 94 15.424 2.933 7.786 262 2HA GLY 94 HA1 GLY 94 14.691 2.943 6.184 263 H ILE 95 HN ILE 95 14.323 5.652 5.722 264 HA ILE 95 HA ILE 95 16.923 6.466 4.904 265 HB ILE 95 HB ILE 95 15.944 8.335 4.003 266 1HG1 ILE 95 HG12 ILE 95 14.072 8.558 6.381 267 2HG1 ILE 95 HG11 ILE 95 15.598 9.423 6.230 268 1HG2 ILE 95 HG22 ILE 95 14.342 6.154 3.931 269 2HG2 ILE 95 HG21 ILE 95 13.238 7.325 4.652 270 3HG2 ILE 95 HG23 ILE 95 13.976 7.657 3.086 271 1HD1 ILE 95 HD11 ILE 95 14.766 10.438 4.108 272 2HD1 ILE 95 HD13 ILE 95 13.213 9.645 4.372 273 3HD1 ILE 95 HD12 ILE 95 13.778 10.875 5.502 274 H ARG 96 HN ARG 96 15.028 7.482 7.746 275 HA ARG 96 HA ARG 96 16.915 9.299 8.827 276 1HB ARG 96 HB2 ARG 96 14.940 7.455 10.200 277 2HB ARG 96 HB1 ARG 96 15.853 8.708 11.041 278 1HG ARG 96 HG2 ARG 96 14.884 10.200 9.031 279 2HG ARG 96 HG1 ARG 96 13.610 8.981 9.098 280 1HD ARG 96 HD2 ARG 96 14.518 10.110 11.699 281 2HD ARG 96 HD1 ARG 96 13.579 11.176 10.655 282 HE ARG 96 HE ARG 96 12.127 8.813 10.674 283 1HH1 ARG 96 HH21 ARG 96 13.754 9.366 13.455 284 2HH1 ARG 96 HH22 ARG 96 12.381 9.750 14.439 285 1HH2 ARG 96 HH11 ARG 96 10.195 9.995 11.757 286 2HH2 ARG 96 HH12 ARG 96 10.366 10.107 13.477 287 H ARG 97 HN ARG 97 16.585 5.785 9.351 288 HA ARG 97 HA ARG 97 18.734 5.501 11.169 289 1HB ARG 97 HB2 ARG 97 16.996 3.737 10.342 290 2HB ARG 97 HB1 ARG 97 18.169 3.421 9.062 291 1HG ARG 97 HG2 ARG 97 19.116 1.999 10.557 292 2HG ARG 97 HG1 ARG 97 19.771 3.461 11.297 293 1HD ARG 97 HD2 ARG 97 16.996 2.710 12.065 294 2HD ARG 97 HD1 ARG 97 18.291 1.685 12.682 295 HE ARG 97 HE ARG 97 19.176 4.249 13.227 296 1HH1 ARG 97 HH11 ARG 97 16.379 5.146 13.442 297 2HH1 ARG 97 HH12 ARG 97 15.973 4.775 15.084 298 1HH2 ARG 97 HH21 ARG 97 18.634 2.597 15.529 299 2HH2 ARG 97 HH22 ARG 97 17.249 3.332 16.265 300 H LEU 98 HN LEU 98 18.764 5.326 7.600 301 HA LEU 98 HA LEU 98 21.510 4.736 7.282 302 1HB LEU 98 HB2 LEU 98 19.390 5.963 5.613 303 2HB LEU 98 HB1 LEU 98 21.046 6.343 5.139 304 HG LEU 98 HG LEU 98 20.312 3.501 5.772 305 1HD1 LEU 98 HD12 LEU 98 18.667 4.611 4.091 306 2HD1 LEU 98 HD11 LEU 98 20.044 4.630 2.990 307 3HD1 LEU 98 HD13 LEU 98 19.440 3.098 3.621 308 1HD2 LEU 98 HD23 LEU 98 22.563 4.964 4.730 309 2HD2 LEU 98 HD22 LEU 98 22.453 3.247 5.115 310 3HD2 LEU 98 HD21 LEU 98 22.001 3.821 3.509 311 H ILE 99 HN ILE 99 19.914 7.936 7.507 312 HA ILE 99 HA ILE 99 22.458 9.349 7.411 313 HB ILE 99 HB ILE 99 21.180 11.332 7.780 314 1HG1 ILE 99 HG12 ILE 99 18.556 10.302 8.338 315 2HG1 ILE 99 HG11 ILE 99 19.682 9.645 9.524 316 1HG2 ILE 99 HG23 ILE 99 20.657 9.718 5.714 317 2HG2 ILE 99 HG22 ILE 99 19.055 9.714 6.451 318 3HG2 ILE 99 HG21 ILE 99 19.788 11.236 5.946 319 1HD1 ILE 99 HD11 ILE 99 20.536 11.964 9.926 320 2HD1 ILE 99 HD13 ILE 99 19.280 12.571 8.848 321 3HD1 ILE 99 HD12 ILE 99 18.837 11.768 10.352 322 H LYS 100 HN LYS 100 20.649 7.730 9.843 323 HA LYS 100 HA LYS 100 22.034 9.179 12.032 324 1HB LYS 100 HB2 LYS 100 19.506 8.406 11.972 325 2HB LYS 100 HB1 LYS 100 20.185 6.862 12.491 326 1HG LYS 100 HG2 LYS 100 19.735 7.970 14.523 327 2HG LYS 100 HG1 LYS 100 21.456 8.263 14.269 328 1HD LYS 100 HD2 LYS 100 20.897 10.454 13.223 329 2HD LYS 100 HD1 LYS 100 19.194 10.165 13.585 330 1HE LYS 100 HE2 LYS 100 20.540 11.587 15.272 331 2HE LYS 100 HE1 LYS 100 19.550 10.279 15.920 332 1HZ LYS 100 HZ3 LYS 100 22.367 9.809 15.192 333 2HZ LYS 100 HZ2 LYS 100 21.969 10.488 16.697 334 3HZ LYS 100 HZ1 LYS 100 21.389 8.948 16.276 335 H LYS 101 HN LYS 101 23.914 8.380 12.815 336 HA LYS 101 HA LYS 101 24.367 5.637 13.436 337 1HB LYS 101 HB2 LYS 101 24.509 5.181 11.083 338 2HB LYS 101 HB1 LYS 101 25.525 6.596 10.807 339 1HG LYS 101 HG2 LYS 101 27.412 5.590 11.691 340 2HG LYS 101 HG1 LYS 101 26.480 4.538 12.756 341 1HD LYS 101 HD2 LYS 101 26.100 2.968 11.105 342 2HD LYS 101 HD1 LYS 101 26.173 4.161 9.808 343 1HE LYS 101 HE2 LYS 101 28.710 4.343 10.722 344 2HE LYS 101 HE1 LYS 101 28.373 2.657 11.120 345 1HZ LYS 101 HZ3 LYS 101 27.446 2.588 8.726 346 2HZ LYS 101 HZ2 LYS 101 28.401 3.974 8.489 347 3HZ LYS 101 HZ1 LYS 101 29.124 2.512 8.967 348 1H VAL 62 HT1 VAL 62 -26.632 -11.634 -19.782 349 2H VAL 62 HT3 VAL 62 -27.303 -13.129 -20.219 350 3H VAL 62 HT2 VAL 62 -26.666 -12.104 -21.415 351 HA VAL 62 HA VAL 62 -28.385 -10.500 -21.072 352 HB VAL 62 HB VAL 62 -29.538 -13.304 -21.194 353 1HG1 VAL 62 HG12 VAL 62 -30.670 -10.628 -21.437 354 2HG1 VAL 62 HG11 VAL 62 -30.932 -11.586 -22.895 355 3HG1 VAL 62 HG13 VAL 62 -31.494 -12.184 -21.334 356 1HG2 VAL 62 HG21 VAL 62 -27.763 -11.854 -22.964 357 2HG2 VAL 62 HG23 VAL 62 -28.372 -13.502 -23.114 358 3HG2 VAL 62 HG22 VAL 62 -29.307 -12.155 -23.761 359 H GLN 63 HN GLN 63 -28.991 -13.356 -18.988 360 HA GLN 63 HA GLN 63 -30.917 -11.929 -17.354 361 1HB GLN 63 HB2 GLN 63 -30.629 -13.928 -15.822 362 2HB GLN 63 HB1 GLN 63 -31.093 -14.329 -17.476 363 1HG GLN 63 HG2 GLN 63 -29.100 -15.339 -17.929 364 2HG GLN 63 HG1 GLN 63 -28.178 -14.155 -17.003 365 1HE2 GLN 63 HE22 GLN 63 -28.450 -15.975 -13.922 366 2HE2 GLN 63 HE21 GLN 63 -28.225 -14.423 -14.571 367 H LEU 64 HN LEU 64 -30.571 -11.492 -15.013 368 HA LEU 64 HA LEU 64 -27.712 -10.923 -14.356 369 1HB LEU 64 HB2 LEU 64 -29.899 -9.035 -14.691 370 2HB LEU 64 HB1 LEU 64 -29.223 -8.953 -13.063 371 HG LEU 64 HG LEU 64 -26.939 -9.111 -14.525 372 1HD1 LEU 64 HD12 LEU 64 -28.997 -7.655 -16.209 373 2HD1 LEU 64 HD11 LEU 64 -27.255 -7.502 -16.438 374 3HD1 LEU 64 HD13 LEU 64 -28.043 -9.062 -16.680 375 1HD2 LEU 64 HD23 LEU 64 -27.919 -7.373 -12.793 376 2HD2 LEU 64 HD22 LEU 64 -26.599 -6.900 -13.864 377 3HD2 LEU 64 HD21 LEU 64 -28.255 -6.427 -14.242 378 H ALA 65 HN ALA 65 -28.198 -13.082 -13.221 379 HA ALA 65 HA ALA 65 -29.181 -12.448 -10.487 380 1HB ALA 65 HB2 ALA 65 -30.929 -13.672 -11.952 381 2HB ALA 65 HB1 ALA 65 -29.866 -15.072 -11.811 382 3HB ALA 65 HB3 ALA 65 -30.577 -14.355 -10.365 383 H HIS 66 HN HIS 66 -26.805 -12.390 -10.142 384 HA HIS 66 HA HIS 66 -25.801 -15.113 -9.524 385 1HB HIS 66 HB2 HIS 66 -23.551 -14.469 -10.477 386 2HB HIS 66 HB1 HIS 66 -24.811 -14.702 -11.690 387 HD1 HIS 66 HD1 HIS 66 -22.834 -12.000 -9.955 388 HD2 HIS 66 HD2 HIS 66 -25.568 -12.360 -13.082 389 HE1 HIS 66 HE1 HIS 66 -22.864 -9.763 -11.142 390 H HIS 67 HN HIS 67 -23.314 -14.477 -8.565 391 HA HIS 67 HA HIS 67 -23.201 -12.066 -7.011 392 1HB HIS 67 HB2 HIS 67 -23.455 -13.462 -4.767 393 2HB HIS 67 HB1 HIS 67 -24.869 -12.758 -5.553 394 HD1 HIS 67 HD1 HIS 67 -22.926 -15.971 -6.279 395 HD2 HIS 67 HD2 HIS 67 -26.816 -14.707 -5.472 396 HE1 HIS 67 HE1 HIS 67 -24.397 -18.027 -6.443 397 H PHE 68 HN PHE 68 -21.467 -12.352 -5.203 398 HA PHE 68 HA PHE 68 -19.416 -14.290 -6.198 399 1HB PHE 68 HB2 PHE 68 -19.193 -11.467 -5.166 400 2HB PHE 68 HB1 PHE 68 -17.812 -12.563 -5.092 401 HD1 PHE 68 HD1 PHE 68 -20.407 -11.288 -7.476 402 HD2 PHE 68 HD2 PHE 68 -16.425 -12.812 -6.961 403 HE1 PHE 68 HE1 PHE 68 -19.930 -10.852 -9.871 404 HE2 PHE 68 HE2 PHE 68 -15.948 -12.376 -9.354 405 HZ PHE 68 HZ PHE 68 -17.700 -11.395 -10.810 406 H SER 69 HN SER 69 -19.662 -12.300 -3.247 407 HA SER 69 HA SER 69 -19.604 -12.926 -0.987 408 1HB SER 69 HB2 SER 69 -20.952 -15.191 -2.340 409 2HB SER 69 HB1 SER 69 -20.246 -15.557 -0.768 410 HG SER 69 HG SER 69 -21.664 -14.291 0.165 411 H GLU 70 HN GLU 70 -17.732 -13.268 0.101 412 HA GLU 70 HA GLU 70 -16.176 -15.688 -0.190 413 1HB GLU 70 HB2 GLU 70 -15.470 -13.317 -1.811 414 2HB GLU 70 HB1 GLU 70 -14.133 -14.021 -0.901 415 1HG GLU 70 HG2 GLU 70 -15.173 -16.291 -1.852 416 2HG GLU 70 HG1 GLU 70 -15.749 -15.203 -3.117 417 HA PRO 71 HA PRO 71 -14.565 -14.561 3.700 418 1HB PRO 71 HB2 PRO 71 -11.764 -14.833 3.063 419 2HB PRO 71 HB1 PRO 71 -12.805 -15.975 3.923 420 1HG PRO 71 HG2 PRO 71 -11.772 -16.222 1.247 421 2HG PRO 71 HG1 PRO 71 -12.837 -17.345 2.103 422 1HD PRO 71 HD2 PRO 71 -13.518 -15.585 -0.077 423 2HD PRO 71 HD1 PRO 71 -14.584 -16.709 0.791 424 H GLU 72 HN GLU 72 -15.026 -12.315 3.753 425 HA GLU 72 HA GLU 72 -13.771 -10.249 2.351 426 1HB GLU 72 HB2 GLU 72 -14.397 -8.780 4.243 427 2HB GLU 72 HB1 GLU 72 -15.707 -9.885 3.829 428 1HG GLU 72 HG2 GLU 72 -14.965 -11.412 5.641 429 2HG GLU 72 HG1 GLU 72 -13.711 -10.254 6.082 430 H ILE 73 HN ILE 73 -12.608 -11.993 5.205 431 HA ILE 73 HA ILE 73 -10.379 -10.229 5.691 432 HB ILE 73 HB ILE 73 -11.030 -11.572 7.522 433 1HG1 ILE 73 HG12 ILE 73 -8.506 -11.497 6.866 434 2HG1 ILE 73 HG11 ILE 73 -9.022 -12.604 8.136 435 1HG2 ILE 73 HG23 ILE 73 -11.051 -13.824 5.515 436 2HG2 ILE 73 HG22 ILE 73 -10.997 -14.145 7.248 437 3HG2 ILE 73 HG21 ILE 73 -12.360 -13.264 6.556 438 1HD1 ILE 73 HD11 ILE 73 -9.230 -13.811 5.486 439 2HD1 ILE 73 HD13 ILE 73 -7.585 -13.288 5.846 440 3HD1 ILE 73 HD12 ILE 73 -8.409 -14.412 6.925 441 H THR 74 HN THR 74 -10.833 -13.192 3.789 442 HA THR 74 HA THR 74 -8.075 -13.595 3.137 443 HB THR 74 HB THR 74 -10.613 -14.320 1.645 444 HG1 THR 74 HG1 THR 74 -8.801 -15.981 3.032 445 1HG2 THR 74 HG23 THR 74 -7.719 -15.004 1.100 446 2HG2 THR 74 HG22 THR 74 -9.060 -15.962 0.471 447 3HG2 THR 74 HG21 THR 74 -8.884 -14.273 -0.005 448 H LEU 75 HN LEU 75 -10.677 -11.849 1.433 449 HA LEU 75 HA LEU 75 -8.919 -10.921 -0.681 450 1HB LEU 75 HB2 LEU 75 -11.491 -11.153 -0.722 451 2HB LEU 75 HB1 LEU 75 -11.514 -9.624 0.151 452 HG LEU 75 HG LEU 75 -10.186 -10.088 -2.539 453 1HD1 LEU 75 HD11 LEU 75 -12.900 -9.638 -1.869 454 2HD1 LEU 75 HD13 LEU 75 -12.282 -8.104 -2.482 455 3HD1 LEU 75 HD12 LEU 75 -12.169 -9.562 -3.471 456 1HD2 LEU 75 HD22 LEU 75 -10.327 -7.770 -0.635 457 2HD2 LEU 75 HD21 LEU 75 -8.965 -8.331 -1.603 458 3HD2 LEU 75 HD23 LEU 75 -10.288 -7.455 -2.368 459 H ILE 76 HN ILE 76 -10.314 -9.358 2.234 460 HA ILE 76 HA ILE 76 -9.118 -6.816 1.837 461 HB ILE 76 HB ILE 76 -9.724 -8.308 4.410 462 1HG1 ILE 76 HG12 ILE 76 -11.255 -6.034 3.135 463 2HG1 ILE 76 HG11 ILE 76 -11.595 -7.718 2.740 464 1HG2 ILE 76 HG21 ILE 76 -8.856 -5.467 3.868 465 2HG2 ILE 76 HG23 ILE 76 -9.765 -5.896 5.318 466 3HG2 ILE 76 HG22 ILE 76 -8.182 -6.615 5.024 467 1HD1 ILE 76 HD13 ILE 76 -11.390 -7.265 5.623 468 2HD1 ILE 76 HD12 ILE 76 -12.674 -6.313 4.879 469 3HD1 ILE 76 HD11 ILE 76 -12.662 -8.067 4.703 470 H ILE 77 HN ILE 77 -7.872 -9.665 3.607 471 HA ILE 77 HA ILE 77 -5.372 -8.527 4.349 472 HB ILE 77 HB ILE 77 -6.408 -11.316 3.962 473 1HG1 ILE 77 HG12 ILE 77 -6.055 -11.478 6.297 474 2HG1 ILE 77 HG11 ILE 77 -4.899 -10.148 6.301 475 1HG2 ILE 77 HG22 ILE 77 -3.569 -10.506 3.789 476 2HG2 ILE 77 HG21 ILE 77 -3.905 -11.781 4.961 477 3HG2 ILE 77 HG23 ILE 77 -4.347 -12.000 3.267 478 1HD1 ILE 77 HD11 ILE 77 -7.796 -9.745 5.539 479 2HD1 ILE 77 HD13 ILE 77 -7.241 -9.624 7.209 480 3HD1 ILE 77 HD12 ILE 77 -6.608 -8.521 5.985 481 H PHE 78 HN PHE 78 -6.301 -10.405 1.476 482 HA PHE 78 HA PHE 78 -3.774 -10.375 0.197 483 1HB PHE 78 HB2 PHE 78 -4.972 -11.681 -1.193 484 2HB PHE 78 HB1 PHE 78 -6.482 -11.103 -0.507 485 HD1 PHE 78 HD2 PHE 78 -3.791 -10.091 -2.914 486 HD2 PHE 78 HD1 PHE 78 -7.931 -9.833 -1.812 487 HE1 PHE 78 HE2 PHE 78 -4.264 -8.839 -5.002 488 HE2 PHE 78 HE1 PHE 78 -8.408 -8.575 -3.901 489 HZ PHE 78 HZ PHE 78 -6.574 -8.081 -5.496 490 H GLY 79 HN GLY 79 -6.466 -8.020 -0.079 491 1HA GLY 79 HA2 GLY 79 -5.228 -6.320 -1.975 492 2HA GLY 79 HA1 GLY 79 -6.400 -5.774 -0.774 493 H VAL 80 HN VAL 80 -5.050 -6.202 1.607 494 HA VAL 80 HA VAL 80 -3.337 -3.944 1.764 495 HB VAL 80 HB VAL 80 -3.480 -6.376 3.569 496 1HG1 VAL 80 HG12 VAL 80 -1.382 -5.042 3.821 497 2HG1 VAL 80 HG11 VAL 80 -2.366 -3.609 4.120 498 3HG1 VAL 80 HG13 VAL 80 -2.414 -4.963 5.249 499 1HG2 VAL 80 HG22 VAL 80 -5.391 -4.406 3.030 500 2HG2 VAL 80 HG21 VAL 80 -5.350 -5.447 4.454 501 3HG2 VAL 80 HG23 VAL 80 -4.611 -3.846 4.509 502 H MET 81 HN MET 81 -2.522 -7.416 1.558 503 HA MET 81 HA MET 81 0.305 -7.120 1.547 504 1HB MET 81 HB2 MET 81 -1.418 -9.171 0.119 505 2HB MET 81 HB1 MET 81 0.323 -9.314 0.372 506 1HG MET 81 HG2 MET 81 0.062 -9.411 2.750 507 2HG MET 81 HG1 MET 81 -1.633 -8.932 2.649 508 1HE MET 81 HE2 MET 81 -0.336 -10.911 4.182 509 2HE MET 81 HE1 MET 81 -1.678 -12.051 4.243 510 3HE MET 81 HE3 MET 81 -0.110 -12.558 3.598 511 H ALA 82 HN ALA 82 -2.018 -7.188 -1.148 512 HA ALA 82 HA ALA 82 -0.163 -6.871 -3.253 513 1HB ALA 82 HB2 ALA 82 -3.060 -6.605 -2.925 514 2HB ALA 82 HB1 ALA 82 -2.407 -5.474 -4.114 515 3HB ALA 82 HB3 ALA 82 -2.133 -7.205 -4.299 516 H GLY 83 HN GLY 83 -1.862 -4.329 -1.347 517 1HA GLY 83 HA2 GLY 83 -0.824 -2.117 -2.772 518 2HA GLY 83 HA1 GLY 83 -1.276 -2.077 -1.066 519 H VAL 84 HN VAL 84 0.555 -3.827 0.073 520 HA VAL 84 HA VAL 84 2.888 -2.218 0.301 521 HB VAL 84 HB VAL 84 2.637 -5.201 0.803 522 1HG1 VAL 84 HG11 VAL 84 4.875 -3.469 0.903 523 2HG1 VAL 84 HG13 VAL 84 4.394 -3.752 2.576 524 3HG1 VAL 84 HG12 VAL 84 4.768 -5.117 1.524 525 1HG2 VAL 84 HG23 VAL 84 0.940 -3.803 1.990 526 2HG2 VAL 84 HG22 VAL 84 2.084 -4.562 3.098 527 3HG2 VAL 84 HG21 VAL 84 2.253 -2.854 2.689 528 H ILE 85 HN ILE 85 2.360 -5.204 -1.601 529 HA ILE 85 HA ILE 85 4.939 -5.364 -2.761 530 HB ILE 85 HB ILE 85 2.251 -6.138 -3.938 531 1HG1 ILE 85 HG12 ILE 85 4.339 -7.867 -2.585 532 2HG1 ILE 85 HG11 ILE 85 2.970 -7.169 -1.722 533 1HG2 ILE 85 HG22 ILE 85 5.098 -6.786 -4.745 534 2HG2 ILE 85 HG21 ILE 85 3.710 -7.737 -5.277 535 3HG2 ILE 85 HG23 ILE 85 3.842 -6.038 -5.732 536 1HD1 ILE 85 HD11 ILE 85 1.639 -8.254 -3.787 537 2HD1 ILE 85 HD13 ILE 85 3.019 -9.352 -3.749 538 3HD1 ILE 85 HD12 ILE 85 2.000 -9.165 -2.321 539 H GLY 86 HN GLY 86 2.016 -3.688 -3.954 540 1HA GLY 86 HA2 GLY 86 3.108 -2.690 -6.361 541 2HA GLY 86 HA1 GLY 86 1.808 -1.908 -5.461 542 H THR 87 HN THR 87 3.086 -1.192 -3.108 543 HA THR 87 HA THR 87 4.400 1.211 -3.825 544 HB THR 87 HB THR 87 4.757 -0.332 -1.239 545 HG1 THR 87 HG1 THR 87 2.569 -0.009 -1.734 546 1HG2 THR 87 HG22 THR 87 6.304 1.578 -1.596 547 2HG2 THR 87 HG21 THR 87 4.914 2.632 -1.856 548 3HG2 THR 87 HG23 THR 87 5.170 1.882 -0.280 549 H ILE 88 HN ILE 88 5.815 -1.907 -2.761 550 HA ILE 88 HA ILE 88 8.537 -1.102 -2.903 551 HB ILE 88 HB ILE 88 7.306 -3.810 -3.511 552 1HG1 ILE 88 HG12 ILE 88 8.562 -2.697 -0.980 553 2HG1 ILE 88 HG11 ILE 88 6.830 -2.908 -1.241 554 1HG2 ILE 88 HG21 ILE 88 10.007 -2.838 -3.753 555 2HG2 ILE 88 HG23 ILE 88 9.925 -4.025 -2.450 556 3HG2 ILE 88 HG22 ILE 88 9.386 -4.458 -4.073 557 1HD1 ILE 88 HD13 ILE 88 8.590 -5.273 -1.714 558 2HD1 ILE 88 HD12 ILE 88 8.304 -4.792 -0.042 559 3HD1 ILE 88 HD11 ILE 88 6.944 -5.206 -1.085 560 H LEU 89 HN LEU 89 6.439 -2.541 -5.400 561 HA LEU 89 HA LEU 89 8.343 -2.584 -7.497 562 1HB LEU 89 HB2 LEU 89 6.572 -3.587 -8.464 563 2HB LEU 89 HB1 LEU 89 5.513 -3.004 -7.187 564 HG LEU 89 HG LEU 89 5.391 -0.801 -8.460 565 1HD1 LEU 89 HD11 LEU 89 7.482 -1.409 -9.826 566 2HD1 LEU 89 HD13 LEU 89 6.420 -2.452 -10.772 567 3HD1 LEU 89 HD12 LEU 89 6.131 -0.714 -10.721 568 1HD2 LEU 89 HD23 LEU 89 4.150 -3.371 -9.027 569 2HD2 LEU 89 HD22 LEU 89 3.414 -1.770 -8.964 570 3HD2 LEU 89 HD21 LEU 89 4.164 -2.339 -10.456 571 H LEU 90 HN LEU 90 6.045 -0.021 -6.552 572 HA LEU 90 HA LEU 90 6.700 1.841 -8.588 573 1HB LEU 90 HB2 LEU 90 5.925 2.372 -5.702 574 2HB LEU 90 HB1 LEU 90 5.892 3.569 -6.998 575 HG LEU 90 HG LEU 90 4.349 0.961 -7.074 576 1HD1 LEU 90 HD11 LEU 90 3.624 3.711 -6.083 577 2HD1 LEU 90 HD13 LEU 90 2.387 2.668 -6.785 578 3HD1 LEU 90 HD12 LEU 90 3.274 2.143 -5.354 579 1HD2 LEU 90 HD21 LEU 90 4.590 3.380 -8.845 580 2HD2 LEU 90 HD23 LEU 90 4.568 1.673 -9.289 581 3HD2 LEU 90 HD22 LEU 90 3.075 2.479 -8.809 582 H ILE 91 HN ILE 91 8.174 1.440 -5.346 583 HA ILE 91 HA ILE 91 10.047 3.556 -5.568 584 HB ILE 91 HB ILE 91 10.365 0.884 -4.165 585 1HG1 ILE 91 HG12 ILE 91 9.397 3.588 -3.182 586 2HG1 ILE 91 HG11 ILE 91 8.388 2.163 -3.430 587 1HG2 ILE 91 HG22 ILE 91 12.046 3.321 -4.354 588 2HG2 ILE 91 HG21 ILE 91 11.816 2.676 -2.728 589 3HG2 ILE 91 HG23 ILE 91 12.511 1.659 -3.991 590 1HD1 ILE 91 HD13 ILE 91 10.703 1.549 -1.777 591 2HD1 ILE 91 HD12 ILE 91 9.735 2.846 -1.075 592 3HD1 ILE 91 HD11 ILE 91 8.992 1.289 -1.441 593 H SER 92 HN SER 92 10.421 0.110 -6.520 594 HA SER 92 HA SER 92 13.088 0.367 -7.468 595 1HB SER 92 HB2 SER 92 11.045 -1.611 -7.558 596 2HB SER 92 HB1 SER 92 11.596 -1.370 -9.214 597 HG SER 92 HG SER 92 13.002 -2.230 -6.943 598 H TYR 93 HN TYR 93 9.987 0.798 -9.187 599 HA TYR 93 HA TYR 93 11.071 1.520 -11.708 600 1HB TYR 93 HB2 TYR 93 8.516 1.368 -10.581 601 2HB TYR 93 HB1 TYR 93 8.690 3.059 -11.049 602 HD1 TYR 93 HD2 TYR 93 10.677 2.584 -13.333 603 HD2 TYR 93 HD1 TYR 93 6.959 0.698 -12.301 604 HE1 TYR 93 HE2 TYR 93 10.332 1.964 -15.709 605 HE2 TYR 93 HE1 TYR 93 6.613 0.077 -14.678 606 HH TYR 93 HH TYR 93 7.356 0.328 -16.769 607 H GLY 94 HN GLY 94 10.176 3.614 -8.939 608 1HA GLY 94 HA2 GLY 94 10.855 6.090 -10.128 609 2HA GLY 94 HA1 GLY 94 10.910 5.774 -8.393 610 H ILE 95 HN ILE 95 12.900 3.875 -8.195 611 HA ILE 95 HA ILE 95 15.274 5.437 -8.323 612 HB ILE 95 HB ILE 95 14.727 2.493 -7.998 613 1HG1 ILE 95 HG12 ILE 95 15.562 2.852 -5.806 614 2HG1 ILE 95 HG11 ILE 95 16.380 4.342 -6.271 615 1HG2 ILE 95 HG21 ILE 95 17.286 3.740 -8.854 616 2HG2 ILE 95 HG23 ILE 95 17.390 2.583 -7.526 617 3HG2 ILE 95 HG22 ILE 95 16.709 2.089 -9.076 618 1HD1 ILE 95 HD11 ILE 95 13.374 3.961 -6.209 619 2HD1 ILE 95 HD13 ILE 95 14.313 4.788 -4.968 620 3HD1 ILE 95 HD12 ILE 95 14.222 5.456 -6.598 621 H ARG 96 HN ARG 96 14.083 2.903 -10.545 622 HA ARG 96 HA ARG 96 16.231 2.984 -12.390 623 1HB ARG 96 HB2 ARG 96 13.282 2.437 -12.808 624 2HB ARG 96 HB1 ARG 96 14.497 2.207 -14.065 625 1HG ARG 96 HG2 ARG 96 15.711 0.834 -12.122 626 2HG ARG 96 HG1 ARG 96 14.049 0.653 -11.554 627 1HD ARG 96 HD2 ARG 96 14.634 0.169 -14.452 628 2HD ARG 96 HD1 ARG 96 15.069 -1.077 -13.281 629 HE ARG 96 HE ARG 96 12.455 -0.460 -12.626 630 1HH1 ARG 96 HH11 ARG 96 12.340 0.245 -15.606 631 2HH1 ARG 96 HH12 ARG 96 11.786 -1.254 -16.276 632 1HH2 ARG 96 HH21 ARG 96 12.518 -3.098 -13.431 633 2HH2 ARG 96 HH22 ARG 96 11.887 -3.148 -15.042 634 H ARG 97 HN ARG 97 13.203 4.870 -12.353 635 HA ARG 97 HA ARG 97 13.672 6.362 -14.710 636 1HB ARG 97 HB2 ARG 97 11.515 6.385 -13.521 637 2HB ARG 97 HB1 ARG 97 12.261 7.246 -12.173 638 1HG ARG 97 HG2 ARG 97 12.938 8.703 -14.496 639 2HG ARG 97 HG1 ARG 97 11.223 8.317 -14.644 640 1HD ARG 97 HD2 ARG 97 12.387 9.413 -12.082 641 2HD ARG 97 HD1 ARG 97 11.818 10.473 -13.373 642 HE ARG 97 HE ARG 97 9.691 8.753 -12.962 643 1HH1 ARG 97 HH21 ARG 97 10.995 8.761 -10.144 644 2HH1 ARG 97 HH22 ARG 97 10.034 9.977 -9.369 645 1HH2 ARG 97 HH11 ARG 97 8.718 11.203 -12.334 646 2HH2 ARG 97 HH12 ARG 97 8.745 11.360 -10.609 647 H LEU 98 HN LEU 98 14.581 7.132 -11.340 648 HA LEU 98 HA LEU 98 15.787 9.641 -11.854 649 1HB LEU 98 HB2 LEU 98 15.781 7.683 -9.703 650 2HB LEU 98 HB1 LEU 98 17.370 8.430 -9.882 651 HG LEU 98 HG LEU 98 15.316 10.438 -10.149 652 1HD1 LEU 98 HD12 LEU 98 14.641 8.367 -8.323 653 2HD1 LEU 98 HD11 LEU 98 15.165 9.750 -7.362 654 3HD1 LEU 98 HD13 LEU 98 13.848 9.929 -8.522 655 1HD2 LEU 98 HD23 LEU 98 17.897 10.083 -9.054 656 2HD2 LEU 98 HD22 LEU 98 16.977 11.585 -9.139 657 3HD2 LEU 98 HD21 LEU 98 16.865 10.561 -7.707 658 H ILE 99 HN ILE 99 17.238 6.381 -11.889 659 HA ILE 99 HA ILE 99 19.846 7.331 -12.709 660 HB ILE 99 HB ILE 99 20.272 4.923 -13.202 661 1HG1 ILE 99 HG12 ILE 99 17.385 4.545 -12.354 662 2HG1 ILE 99 HG11 ILE 99 17.921 4.505 -14.033 663 1HG2 ILE 99 HG22 ILE 99 19.979 6.108 -10.781 664 2HG2 ILE 99 HG21 ILE 99 18.775 4.827 -10.639 665 3HG2 ILE 99 HG23 ILE 99 20.458 4.423 -10.974 666 1HD1 ILE 99 HD11 ILE 99 19.684 2.762 -13.060 667 2HD1 ILE 99 HD13 ILE 99 18.435 2.546 -11.833 668 3HD1 ILE 99 HD12 ILE 99 18.063 2.252 -13.531 669 H LYS 100 HN LYS 100 16.944 6.265 -14.405 670 HA LYS 100 HA LYS 100 18.371 6.620 -17.001 671 1HB LYS 100 HB2 LYS 100 16.409 4.742 -16.087 672 2HB LYS 100 HB1 LYS 100 15.695 5.700 -17.385 673 1HG LYS 100 HG2 LYS 100 18.394 5.064 -18.108 674 2HG LYS 100 HG1 LYS 100 17.582 3.578 -17.615 675 1HD LYS 100 HD2 LYS 100 16.850 3.607 -19.786 676 2HD LYS 100 HD1 LYS 100 15.622 4.682 -19.115 677 1HE LYS 100 HE2 LYS 100 16.664 6.604 -19.939 678 2HE LYS 100 HE1 LYS 100 18.241 5.822 -20.050 679 1HZ LYS 100 HZ1 LYS 100 15.939 4.994 -21.715 680 2HZ LYS 100 HZ3 LYS 100 17.023 6.201 -22.207 681 3HZ LYS 100 HZ2 LYS 100 17.582 4.620 -21.935 682 H LYS 101 HN LYS 101 18.260 8.777 -17.504 683 HA LYS 101 HA LYS 101 15.843 9.938 -18.411 684 1HB LYS 101 HB2 LYS 101 15.153 11.410 -16.700 685 2HB LYS 101 HB1 LYS 101 15.470 9.905 -15.843 686 1HG LYS 101 HG2 LYS 101 16.602 11.439 -14.503 687 2HG LYS 101 HG1 LYS 101 17.895 10.905 -15.575 688 1HD LYS 101 HD2 LYS 101 18.182 13.036 -16.235 689 2HD LYS 101 HD1 LYS 101 16.557 13.010 -16.919 690 1HE LYS 101 HE2 LYS 101 15.598 13.983 -15.032 691 2HE LYS 101 HE1 LYS 101 16.892 13.434 -13.967 692 1HZ LYS 101 HZ3 LYS 101 18.384 14.984 -15.197 693 2HZ LYS 101 HZ2 LYS 101 17.010 15.612 -15.975 694 3HZ LYS 101 HZ1 LYS 101 17.172 15.748 -14.289 No H/Q in entry = 694 Start of MODEL 9 1 1H VAL 62 HT3 VAL 62 -4.644 -9.214 18.442 2 2H VAL 62 HT2 VAL 62 -4.046 -10.351 19.553 3 3H VAL 62 HT1 VAL 62 -4.619 -10.861 18.038 4 HA VAL 62 HA VAL 62 -6.340 -11.391 19.501 5 HB VAL 62 HB VAL 62 -5.479 -10.106 21.417 6 1HG1 VAL 62 HG11 VAL 62 -5.936 -7.889 19.538 7 2HG1 VAL 62 HG13 VAL 62 -6.534 -7.571 21.166 8 3HG1 VAL 62 HG12 VAL 62 -4.838 -7.986 20.915 9 1HG2 VAL 62 HG23 VAL 62 -8.017 -10.736 21.021 10 2HG2 VAL 62 HG22 VAL 62 -7.561 -9.726 22.393 11 3HG2 VAL 62 HG21 VAL 62 -8.222 -8.986 20.935 12 H GLN 63 HN GLN 63 -6.615 -10.894 16.937 13 HA GLN 63 HA GLN 63 -8.091 -10.097 15.307 14 1HB GLN 63 HB2 GLN 63 -9.979 -10.756 16.508 15 2HB GLN 63 HB1 GLN 63 -9.586 -9.732 17.886 16 1HG GLN 63 HG2 GLN 63 -10.282 -7.741 16.687 17 2HG GLN 63 HG1 GLN 63 -10.502 -8.659 15.196 18 1HE2 GLN 63 HE22 GLN 63 -13.913 -8.798 16.223 19 2HE2 GLN 63 HE21 GLN 63 -12.813 -8.051 15.168 20 H LEU 64 HN LEU 64 -8.855 -8.036 14.343 21 HA LEU 64 HA LEU 64 -7.129 -5.800 15.200 22 1HB LEU 64 HB2 LEU 64 -8.449 -6.648 12.730 23 2HB LEU 64 HB1 LEU 64 -8.639 -4.922 13.041 24 HG LEU 64 HG LEU 64 -5.973 -5.422 13.683 25 1HD1 LEU 64 HD12 LEU 64 -6.948 -7.369 11.717 26 2HD1 LEU 64 HD11 LEU 64 -5.586 -6.415 11.127 27 3HD1 LEU 64 HD13 LEU 64 -5.431 -7.346 12.618 28 1HD2 LEU 64 HD21 LEU 64 -7.542 -3.953 11.738 29 2HD2 LEU 64 HD23 LEU 64 -5.986 -3.530 12.454 30 3HD2 LEU 64 HD22 LEU 64 -6.047 -4.536 11.007 31 H ALA 65 HN ALA 65 -10.564 -6.033 14.203 32 HA ALA 65 HA ALA 65 -12.464 -5.054 15.183 33 1HB ALA 65 HB1 ALA 65 -10.619 -5.289 17.343 34 2HB ALA 65 HB3 ALA 65 -11.331 -3.677 17.431 35 3HB ALA 65 HB2 ALA 65 -12.370 -5.102 17.433 36 H HIS 66 HN HIS 66 -13.413 -2.988 14.921 37 HA HIS 66 HA HIS 66 -11.613 -0.648 14.712 38 1HB HIS 66 HB2 HIS 66 -13.341 -1.658 12.436 39 2HB HIS 66 HB1 HIS 66 -12.590 -0.064 12.474 40 HD1 HIS 66 HD1 HIS 66 -11.971 -3.333 11.211 41 HD2 HIS 66 HD2 HIS 66 -9.573 -0.446 13.025 42 HE1 HIS 66 HE1 HIS 66 -9.578 -3.915 10.620 43 H HIS 67 HN HIS 67 -14.976 -1.426 13.729 44 HA HIS 67 HA HIS 67 -16.107 0.061 15.951 45 1HB HIS 67 HB2 HIS 67 -15.185 1.836 14.310 46 2HB HIS 67 HB1 HIS 67 -16.504 1.342 13.247 47 HD1 HIS 67 HD1 HIS 67 -18.681 2.492 13.642 48 HD2 HIS 67 HD2 HIS 67 -16.251 2.608 17.028 49 HE1 HIS 67 HE1 HIS 67 -19.912 3.889 15.359 50 H PHE 68 HN PHE 68 -16.454 -2.535 14.653 51 HA PHE 68 HA PHE 68 -18.256 -3.945 14.122 52 1HB PHE 68 HB2 PHE 68 -19.426 -1.661 15.463 53 2HB PHE 68 HB1 PHE 68 -20.512 -2.261 14.209 54 HD1 PHE 68 HD1 PHE 68 -18.407 -3.396 17.088 55 HD2 PHE 68 HD2 PHE 68 -21.792 -4.204 14.568 56 HE1 PHE 68 HE1 PHE 68 -19.035 -5.304 18.542 57 HE2 PHE 68 HE2 PHE 68 -22.419 -6.113 16.023 58 HZ PHE 68 HZ PHE 68 -21.039 -6.664 18.009 59 H SER 69 HN SER 69 -19.335 -0.754 12.907 60 HA SER 69 HA SER 69 -20.323 -1.759 10.434 61 1HB SER 69 HB2 SER 69 -19.682 0.900 11.567 62 2HB SER 69 HB1 SER 69 -19.656 0.809 9.809 63 HG SER 69 HG SER 69 -21.767 -0.181 11.428 64 H GLU 70 HN GLU 70 -19.348 -1.953 8.392 65 HA GLU 70 HA GLU 70 -16.921 -0.929 7.499 66 1HB GLU 70 HB2 GLU 70 -15.519 -3.137 7.908 67 2HB GLU 70 HB1 GLU 70 -15.563 -1.869 9.133 68 1HG GLU 70 HG2 GLU 70 -16.904 -3.092 10.551 69 2HG GLU 70 HG1 GLU 70 -17.713 -3.933 9.228 70 HA PRO 71 HA PRO 71 -19.333 -3.330 4.459 71 1HB PRO 71 HB2 PRO 71 -18.050 -1.635 2.494 72 2HB PRO 71 HB1 PRO 71 -19.756 -1.681 2.960 73 1HG PRO 71 HG2 PRO 71 -17.847 0.359 3.598 74 2HG PRO 71 HG1 PRO 71 -19.523 0.252 4.145 75 1HD PRO 71 HD2 PRO 71 -17.121 -0.178 5.692 76 2HD PRO 71 HD1 PRO 71 -18.806 -0.240 6.247 77 H GLU 72 HN GLU 72 -18.560 -4.727 2.703 78 HA GLU 72 HA GLU 72 -16.019 -5.938 3.228 79 1HB GLU 72 HB2 GLU 72 -17.800 -7.242 2.229 80 2HB GLU 72 HB1 GLU 72 -17.878 -6.153 0.844 81 1HG GLU 72 HG2 GLU 72 -15.549 -6.768 0.248 82 2HG GLU 72 HG1 GLU 72 -15.515 -7.895 1.604 83 H ILE 73 HN ILE 73 -16.751 -4.941 -0.074 84 HA ILE 73 HA ILE 73 -14.226 -4.427 -0.977 85 HB ILE 73 HB ILE 73 -16.448 -4.174 -2.227 86 1HG1 ILE 73 HG12 ILE 73 -15.219 -1.963 -3.379 87 2HG1 ILE 73 HG11 ILE 73 -13.900 -2.803 -2.563 88 1HG2 ILE 73 HG23 ILE 73 -16.165 -1.364 -1.117 89 2HG2 ILE 73 HG22 ILE 73 -17.312 -1.855 -2.363 90 3HG2 ILE 73 HG21 ILE 73 -17.457 -2.501 -0.728 91 1HD1 ILE 73 HD12 ILE 73 -15.495 -4.800 -3.786 92 2HD1 ILE 73 HD11 ILE 73 -15.260 -3.535 -4.993 93 3HD1 ILE 73 HD13 ILE 73 -13.863 -4.304 -4.238 94 H THR 74 HN THR 74 -16.182 -2.204 0.979 95 HA THR 74 HA THR 74 -14.432 0.038 0.860 96 HB THR 74 HB THR 74 -16.224 -0.879 3.131 97 HG1 THR 74 HG1 THR 74 -17.267 -0.507 1.125 98 1HG2 THR 74 HG23 THR 74 -14.293 1.010 3.326 99 2HG2 THR 74 HG22 THR 74 -15.610 1.988 2.678 100 3HG2 THR 74 HG21 THR 74 -15.828 1.108 4.191 101 H LEU 75 HN LEU 75 -14.561 -2.680 3.176 102 HA LEU 75 HA LEU 75 -12.301 -1.776 4.712 103 1HB LEU 75 HB2 LEU 75 -14.114 -3.535 5.328 104 2HB LEU 75 HB1 LEU 75 -13.095 -4.672 4.444 105 HG LEU 75 HG LEU 75 -12.189 -2.946 6.768 106 1HD1 LEU 75 HD11 LEU 75 -13.678 -5.313 6.787 107 2HD1 LEU 75 HD13 LEU 75 -12.016 -5.841 7.060 108 3HD1 LEU 75 HD12 LEU 75 -12.755 -4.652 8.137 109 1HD2 LEU 75 HD23 LEU 75 -10.812 -4.846 4.894 110 2HD2 LEU 75 HD22 LEU 75 -10.250 -3.295 5.509 111 3HD2 LEU 75 HD21 LEU 75 -10.246 -4.709 6.557 112 H ILE 76 HN ILE 76 -12.584 -4.211 2.087 113 HA ILE 76 HA ILE 76 -9.847 -4.954 2.064 114 HB ILE 76 HB ILE 76 -11.697 -4.716 -0.334 115 1HG1 ILE 76 HG12 ILE 76 -11.182 -7.172 1.348 116 2HG1 ILE 76 HG11 ILE 76 -12.513 -6.069 1.702 117 1HG2 ILE 76 HG22 ILE 76 -9.199 -6.350 0.195 118 2HG2 ILE 76 HG21 ILE 76 -10.251 -6.562 -1.205 119 3HG2 ILE 76 HG23 ILE 76 -9.375 -5.048 -0.981 120 1HD1 ILE 76 HD11 ILE 76 -12.184 -7.030 -1.110 121 2HD1 ILE 76 HD13 ILE 76 -12.854 -8.149 0.077 122 3HD1 ILE 76 HD12 ILE 76 -13.657 -6.610 -0.236 123 H ILE 77 HN ILE 77 -11.512 -2.360 0.245 124 HA ILE 77 HA ILE 77 -9.211 -1.363 -1.102 125 HB ILE 77 HB ILE 77 -11.577 0.233 -0.067 126 1HG1 ILE 77 HG12 ILE 77 -11.325 -0.792 -2.875 127 2HG1 ILE 77 HG11 ILE 77 -11.881 -1.900 -1.620 128 1HG2 ILE 77 HG21 ILE 77 -9.271 1.198 -1.136 129 2HG2 ILE 77 HG23 ILE 77 -10.201 0.906 -2.605 130 3HG2 ILE 77 HG22 ILE 77 -10.841 1.972 -1.354 131 1HD1 ILE 77 HD13 ILE 77 -13.315 0.445 -1.139 132 2HD1 ILE 77 HD12 ILE 77 -13.304 0.299 -2.897 133 3HD1 ILE 77 HD11 ILE 77 -13.937 -1.015 -1.906 134 H PHE 78 HN PHE 78 -10.632 -0.444 2.020 135 HA PHE 78 HA PHE 78 -8.737 1.546 2.712 136 1HB PHE 78 HB2 PHE 78 -10.218 1.716 4.400 137 2HB PHE 78 HB1 PHE 78 -10.890 0.133 4.033 138 HD1 PHE 78 HD2 PHE 78 -7.871 1.672 5.653 139 HD2 PHE 78 HD1 PHE 78 -10.713 -1.541 5.617 140 HE1 PHE 78 HE2 PHE 78 -6.855 0.755 7.722 141 HE2 PHE 78 HE1 PHE 78 -9.699 -2.464 7.688 142 HZ PHE 78 HZ PHE 78 -7.769 -1.314 8.740 143 H GLY 79 HN GLY 79 -8.689 -1.969 3.408 144 1HA GLY 79 HA2 GLY 79 -6.269 -2.000 4.878 145 2HA GLY 79 HA1 GLY 79 -6.854 -3.356 3.912 146 H VAL 80 HN VAL 80 -6.764 -2.313 1.341 147 HA VAL 80 HA VAL 80 -4.028 -2.600 0.647 148 HB VAL 80 HB VAL 80 -6.219 -1.172 -0.889 149 1HG1 VAL 80 HG12 VAL 80 -3.773 -0.824 -1.593 150 2HG1 VAL 80 HG11 VAL 80 -3.759 -2.543 -1.989 151 3HG1 VAL 80 HG13 VAL 80 -4.865 -1.454 -2.827 152 1HG2 VAL 80 HG22 VAL 80 -6.109 -3.831 -0.074 153 2HG2 VAL 80 HG21 VAL 80 -7.050 -3.212 -1.431 154 3HG2 VAL 80 HG23 VAL 80 -5.441 -3.880 -1.705 155 H MET 81 HN MET 81 -6.001 0.356 0.986 156 HA MET 81 HA MET 81 -3.939 2.229 0.416 157 1HB MET 81 HB2 MET 81 -6.349 2.417 2.244 158 2HB MET 81 HB1 MET 81 -5.310 3.790 1.864 159 1HG MET 81 HG2 MET 81 -5.751 3.041 -0.629 160 2HG MET 81 HG1 MET 81 -7.177 2.276 0.071 161 1HE MET 81 HE2 MET 81 -8.619 3.196 1.586 162 2HE MET 81 HE1 MET 81 -9.166 4.866 1.712 163 3HE MET 81 HE3 MET 81 -9.557 3.909 0.277 164 H ALA 82 HN ALA 82 -4.975 0.797 3.507 165 HA ALA 82 HA ALA 82 -3.120 2.119 5.178 166 1HB ALA 82 HB1 ALA 82 -4.823 -0.281 5.388 167 2HB ALA 82 HB3 ALA 82 -3.364 -0.343 6.382 168 3HB ALA 82 HB2 ALA 82 -4.505 0.987 6.569 169 H GLY 83 HN GLY 83 -2.737 -0.997 3.413 170 1HA GLY 83 HA2 GLY 83 -0.157 -1.611 4.399 171 2HA GLY 83 HA1 GLY 83 -0.759 -2.107 2.816 172 H VAL 84 HN VAL 84 -1.090 0.321 1.522 173 HA VAL 84 HA VAL 84 1.550 0.951 0.682 174 HB VAL 84 HB VAL 84 -0.982 2.615 0.530 175 1HG1 VAL 84 HG12 VAL 84 1.094 3.971 0.278 176 2HG1 VAL 84 HG11 VAL 84 1.610 2.896 -1.021 177 3HG1 VAL 84 HG13 VAL 84 0.164 3.886 -1.218 178 1HG2 VAL 84 HG22 VAL 84 -0.071 0.249 -0.828 179 2HG2 VAL 84 HG21 VAL 84 -1.572 1.142 -1.068 180 3HG2 VAL 84 HG23 VAL 84 -0.129 1.585 -1.979 181 H ILE 85 HN ILE 85 -0.598 2.703 2.944 182 HA ILE 85 HA ILE 85 1.175 4.815 3.587 183 HB ILE 85 HB ILE 85 -0.827 3.444 5.407 184 1HG1 ILE 85 HG12 ILE 85 -1.319 5.982 3.875 185 2HG1 ILE 85 HG11 ILE 85 -1.515 4.431 3.059 186 1HG2 ILE 85 HG23 ILE 85 1.065 5.346 6.054 187 2HG2 ILE 85 HG22 ILE 85 -0.342 6.333 5.656 188 3HG2 ILE 85 HG21 ILE 85 -0.458 5.101 6.913 189 1HD1 ILE 85 HD13 ILE 85 -2.759 4.354 5.670 190 2HD1 ILE 85 HD12 ILE 85 -3.385 5.710 4.732 191 3HD1 ILE 85 HD11 ILE 85 -3.485 4.072 4.088 192 H GLY 86 HN GLY 86 0.794 1.626 5.163 193 1HA GLY 86 HA2 GLY 86 2.718 1.984 7.200 194 2HA GLY 86 HA1 GLY 86 2.292 0.421 6.503 195 H THR 87 HN THR 87 3.159 0.702 3.888 196 HA THR 87 HA THR 87 5.933 0.166 4.084 197 HB THR 87 HB THR 87 4.266 1.078 1.722 198 HG1 THR 87 HG1 THR 87 3.876 -0.994 2.759 199 1HG2 THR 87 HG21 THR 87 7.164 0.318 1.960 200 2HG2 THR 87 HG23 THR 87 6.275 -0.050 0.481 201 3HG2 THR 87 HG22 THR 87 6.431 1.620 1.024 202 H ILE 88 HN ILE 88 4.265 3.170 3.088 203 HA ILE 88 HA ILE 88 6.586 4.717 2.574 204 HB ILE 88 HB ILE 88 3.906 5.576 3.711 205 1HG1 ILE 88 HG12 ILE 88 4.979 5.718 0.877 206 2HG1 ILE 88 HG11 ILE 88 3.916 4.437 1.460 207 1HG2 ILE 88 HG23 ILE 88 6.182 7.177 2.506 208 2HG2 ILE 88 HG22 ILE 88 4.566 7.819 2.800 209 3HG2 ILE 88 HG21 ILE 88 5.566 7.294 4.154 210 1HD1 ILE 88 HD12 ILE 88 2.622 6.743 2.287 211 2HD1 ILE 88 HD11 ILE 88 3.268 7.193 0.709 212 3HD1 ILE 88 HD13 ILE 88 2.206 5.793 0.860 213 H LEU 89 HN LEU 89 4.761 4.284 5.612 214 HA LEU 89 HA LEU 89 6.368 5.965 7.229 215 1HB LEU 89 HB2 LEU 89 4.876 5.322 8.789 216 2HB LEU 89 HB1 LEU 89 4.192 4.209 7.611 217 HG LEU 89 HG LEU 89 5.930 2.514 8.365 218 1HD1 LEU 89 HD11 LEU 89 6.711 4.832 9.954 219 2HD1 LEU 89 HD13 LEU 89 6.419 3.414 10.962 220 3HD1 LEU 89 HD12 LEU 89 7.597 3.337 9.651 221 1HD2 LEU 89 HD21 LEU 89 3.725 3.595 10.094 222 2HD2 LEU 89 HD23 LEU 89 3.799 2.071 9.209 223 3HD2 LEU 89 HD22 LEU 89 4.723 2.272 10.698 224 H LEU 90 HN LEU 90 6.712 2.478 6.534 225 HA LEU 90 HA LEU 90 9.000 2.004 8.147 226 1HB LEU 90 HB2 LEU 90 8.062 0.771 5.547 227 2HB LEU 90 HB1 LEU 90 9.509 0.205 6.381 228 HG LEU 90 HG LEU 90 7.155 0.521 8.129 229 1HD1 LEU 90 HD11 LEU 90 7.202 -1.584 5.943 230 2HD1 LEU 90 HD13 LEU 90 6.098 -1.580 7.320 231 3HD1 LEU 90 HD12 LEU 90 6.013 -0.292 6.118 232 1HD2 LEU 90 HD22 LEU 90 9.495 -0.585 8.524 233 2HD2 LEU 90 HD21 LEU 90 8.059 -1.379 9.170 234 3HD2 LEU 90 HD23 LEU 90 8.795 -1.965 7.678 235 H ILE 91 HN ILE 91 8.817 3.060 4.731 236 HA ILE 91 HA ILE 91 11.612 3.211 4.257 237 HB ILE 91 HB ILE 91 9.380 4.947 3.155 238 1HG1 ILE 91 HG12 ILE 91 10.703 2.387 2.212 239 2HG1 ILE 91 HG11 ILE 91 9.005 2.620 2.631 240 1HG2 ILE 91 HG23 ILE 91 12.133 5.356 2.973 241 2HG2 ILE 91 HG22 ILE 91 11.728 4.516 1.477 242 3HG2 ILE 91 HG21 ILE 91 10.912 6.024 1.890 243 1HD1 ILE 91 HD11 ILE 91 9.334 4.552 0.733 244 2HD1 ILE 91 HD13 ILE 91 10.445 3.316 0.145 245 3HD1 ILE 91 HD12 ILE 91 8.743 2.926 0.390 246 H SER 92 HN SER 92 9.388 5.719 5.524 247 HA SER 92 HA SER 92 11.344 7.755 5.812 248 1HB SER 92 HB2 SER 92 8.939 7.150 7.563 249 2HB SER 92 HB1 SER 92 9.861 8.650 7.609 250 HG SER 92 HG SER 92 9.236 9.071 5.517 251 H TYR 93 HN TYR 93 10.315 5.210 8.097 252 HA TYR 93 HA TYR 93 12.103 5.856 10.205 253 1HB TYR 93 HB2 TYR 93 10.194 4.020 9.995 254 2HB TYR 93 HB1 TYR 93 11.552 2.981 9.558 255 HD1 TYR 93 HD1 TYR 93 10.918 5.728 12.045 256 HD2 TYR 93 HD2 TYR 93 12.451 1.779 11.330 257 HE1 TYR 93 HE1 TYR 93 11.547 5.539 14.437 258 HE2 TYR 93 HE2 TYR 93 13.078 1.590 13.722 259 HH TYR 93 HH TYR 93 12.432 2.580 15.875 260 H GLY 94 HN GLY 94 12.554 3.683 7.404 261 1HA GLY 94 HA2 GLY 94 15.187 2.827 7.992 262 2HA GLY 94 HA1 GLY 94 14.524 2.958 6.359 263 H ILE 95 HN ILE 95 14.037 5.665 6.164 264 HA ILE 95 HA ILE 95 16.583 6.718 5.478 265 HB ILE 95 HB ILE 95 13.876 7.958 5.926 266 1HG1 ILE 95 HG12 ILE 95 15.383 8.546 3.489 267 2HG1 ILE 95 HG11 ILE 95 15.211 6.813 3.762 268 1HG2 ILE 95 HG22 ILE 95 16.482 9.445 5.493 269 2HG2 ILE 95 HG21 ILE 95 14.897 10.146 5.166 270 3HG2 ILE 95 HG23 ILE 95 15.330 9.671 6.809 271 1HD1 ILE 95 HD11 ILE 95 12.700 7.942 4.383 272 2HD1 ILE 95 HD13 ILE 95 13.220 8.719 2.887 273 3HD1 ILE 95 HD12 ILE 95 13.106 6.961 2.974 274 H ARG 96 HN ARG 96 14.626 7.285 8.444 275 HA ARG 96 HA ARG 96 16.429 9.082 9.701 276 1HB ARG 96 HB2 ARG 96 15.008 6.952 11.287 277 2HB ARG 96 HB1 ARG 96 15.309 8.634 11.718 278 1HG ARG 96 HG2 ARG 96 13.296 7.547 9.755 279 2HG ARG 96 HG1 ARG 96 12.998 8.534 11.181 280 1HD ARG 96 HD2 ARG 96 14.174 10.427 10.125 281 2HD ARG 96 HD1 ARG 96 14.466 9.445 8.689 282 HE ARG 96 HE ARG 96 11.724 9.328 8.997 283 1HH1 ARG 96 HH21 ARG 96 14.098 11.388 7.790 284 2HH1 ARG 96 HH22 ARG 96 13.041 12.735 7.529 285 1HH2 ARG 96 HH11 ARG 96 10.335 11.260 9.118 286 2HH2 ARG 96 HH12 ARG 96 10.912 12.663 8.281 287 H ARG 97 HN ARG 97 16.300 5.522 9.822 288 HA ARG 97 HA ARG 97 18.515 5.129 11.542 289 1HB ARG 97 HB2 ARG 97 17.103 3.483 9.505 290 2HB ARG 97 HB1 ARG 97 18.738 2.973 9.920 291 1HG ARG 97 HG2 ARG 97 17.650 3.544 12.392 292 2HG ARG 97 HG1 ARG 97 16.284 2.842 11.524 293 1HD ARG 97 HD2 ARG 97 17.898 0.979 10.808 294 2HD ARG 97 HD1 ARG 97 18.994 1.608 12.038 295 HE ARG 97 HE ARG 97 16.602 1.275 13.395 296 1HH1 ARG 97 HH21 ARG 97 19.279 -0.421 13.366 297 2HH1 ARG 97 HH22 ARG 97 18.591 -2.010 13.308 298 1HH2 ARG 97 HH11 ARG 97 15.415 -0.894 12.477 299 2HH2 ARG 97 HH12 ARG 97 16.403 -2.277 12.805 300 H LEU 98 HN LEU 98 18.449 5.373 7.978 301 HA LEU 98 HA LEU 98 21.215 4.976 7.528 302 1HB LEU 98 HB2 LEU 98 18.948 6.065 6.048 303 2HB LEU 98 HB1 LEU 98 20.448 6.911 5.667 304 HG LEU 98 HG LEU 98 20.871 4.039 5.828 305 1HD1 LEU 98 HD12 LEU 98 18.801 5.088 3.877 306 2HD1 LEU 98 HD11 LEU 98 19.615 3.534 3.704 307 3HD1 LEU 98 HD13 LEU 98 18.571 3.833 5.093 308 1HD2 LEU 98 HD21 LEU 98 21.744 6.341 4.368 309 2HD2 LEU 98 HD23 LEU 98 22.463 4.731 4.393 310 3HD2 LEU 98 HD22 LEU 98 21.221 5.123 3.204 311 H ILE 99 HN ILE 99 19.442 8.013 8.154 312 HA ILE 99 HA ILE 99 21.844 9.638 8.145 313 HB ILE 99 HB ILE 99 20.361 11.370 9.138 314 1HG1 ILE 99 HG12 ILE 99 18.214 9.238 9.044 315 2HG1 ILE 99 HG11 ILE 99 19.085 9.648 10.521 316 1HG2 ILE 99 HG23 ILE 99 20.302 10.400 6.614 317 2HG2 ILE 99 HG22 ILE 99 18.626 10.113 7.077 318 3HG2 ILE 99 HG21 ILE 99 19.290 11.744 7.143 319 1HD1 ILE 99 HD13 ILE 99 18.070 12.003 9.094 320 2HD1 ILE 99 HD12 ILE 99 16.791 10.909 9.623 321 3HD1 ILE 99 HD11 ILE 99 17.925 11.574 10.800 322 H LYS 100 HN LYS 100 20.056 7.832 10.565 323 HA LYS 100 HA LYS 100 21.544 9.019 12.798 324 1HB LYS 100 HB2 LYS 100 19.107 7.860 12.681 325 2HB LYS 100 HB1 LYS 100 20.069 6.462 13.167 326 1HG LYS 100 HG2 LYS 100 19.569 7.382 15.242 327 2HG LYS 100 HG1 LYS 100 21.108 8.172 14.895 328 1HD LYS 100 HD2 LYS 100 19.602 9.985 13.737 329 2HD LYS 100 HD1 LYS 100 18.329 9.304 14.752 330 1HE LYS 100 HE2 LYS 100 20.514 9.568 16.474 331 2HE LYS 100 HE1 LYS 100 20.548 11.036 15.498 332 1HZ LYS 100 HZ1 LYS 100 18.134 11.269 15.990 333 2HZ LYS 100 HZ3 LYS 100 18.280 9.991 17.096 334 3HZ LYS 100 HZ2 LYS 100 19.143 11.433 17.347 335 H LYS 101 HN LYS 101 23.096 7.875 14.076 336 HA LYS 101 HA LYS 101 23.982 5.210 13.483 337 1HB LYS 101 HB2 LYS 101 25.222 7.450 11.966 338 2HB LYS 101 HB1 LYS 101 26.331 6.266 12.659 339 1HG LYS 101 HG2 LYS 101 25.840 4.840 10.992 340 2HG LYS 101 HG1 LYS 101 24.154 4.828 11.511 341 1HD LYS 101 HD2 LYS 101 23.690 5.800 9.522 342 2HD LYS 101 HD1 LYS 101 24.393 7.265 10.209 343 1HE LYS 101 HE2 LYS 101 25.616 6.979 8.220 344 2HE LYS 101 HE1 LYS 101 26.668 6.261 9.440 345 1HZ LYS 101 HZ2 LYS 101 24.712 4.467 8.284 346 2HZ LYS 101 HZ1 LYS 101 25.903 5.017 7.205 347 3HZ LYS 101 HZ3 LYS 101 26.357 4.210 8.626 348 1H VAL 62 HT1 VAL 62 -15.656 -13.722 24.829 349 2H VAL 62 HT3 VAL 62 -15.331 -12.188 25.475 350 3H VAL 62 HT2 VAL 62 -15.314 -12.421 23.793 351 HA VAL 62 HA VAL 62 -13.066 -12.331 24.458 352 HB VAL 62 HB VAL 62 -13.653 -12.816 26.887 353 1HG1 VAL 62 HG13 VAL 62 -14.439 -15.290 25.721 354 2HG1 VAL 62 HG12 VAL 62 -13.062 -15.622 26.771 355 3HG1 VAL 62 HG11 VAL 62 -14.498 -14.831 27.422 356 1HG2 VAL 62 HG21 VAL 62 -11.292 -13.042 25.539 357 2HG2 VAL 62 HG23 VAL 62 -11.441 -13.221 27.287 358 3HG2 VAL 62 HG22 VAL 62 -11.417 -14.650 26.254 359 H GLN 63 HN GLN 63 -14.703 -13.760 22.522 360 HA GLN 63 HA GLN 63 -13.729 -16.497 22.341 361 1HB GLN 63 HB2 GLN 63 -14.784 -16.477 20.111 362 2HB GLN 63 HB1 GLN 63 -15.879 -15.816 21.326 363 1HG GLN 63 HG2 GLN 63 -16.064 -13.986 20.020 364 2HG GLN 63 HG1 GLN 63 -14.394 -13.611 20.448 365 1HE2 GLN 63 HE22 GLN 63 -15.190 -15.310 16.794 366 2HE2 GLN 63 HE21 GLN 63 -16.351 -15.405 18.029 367 H LEU 64 HN LEU 64 -11.726 -17.058 21.651 368 HA LEU 64 HA LEU 64 -10.327 -15.204 19.765 369 1HB LEU 64 HB2 LEU 64 -9.543 -16.021 22.414 370 2HB LEU 64 HB1 LEU 64 -8.385 -16.646 21.239 371 HG LEU 64 HG LEU 64 -8.727 -14.133 20.274 372 1HD1 LEU 64 HD12 LEU 64 -9.600 -14.144 23.099 373 2HD1 LEU 64 HD11 LEU 64 -8.412 -12.906 22.695 374 3HD1 LEU 64 HD13 LEU 64 -9.941 -12.979 21.820 375 1HD2 LEU 64 HD22 LEU 64 -6.819 -15.356 22.237 376 2HD2 LEU 64 HD21 LEU 64 -6.528 -14.819 20.583 377 3HD2 LEU 64 HD23 LEU 64 -6.674 -13.635 21.882 378 H ALA 65 HN ALA 65 -11.768 -18.104 19.949 379 HA ALA 65 HA ALA 65 -9.642 -19.611 18.527 380 1HB ALA 65 HB2 ALA 65 -11.100 -20.615 20.403 381 2HB ALA 65 HB1 ALA 65 -12.400 -20.633 19.212 382 3HB ALA 65 HB3 ALA 65 -10.928 -21.563 18.927 383 H HIS 66 HN HIS 66 -12.283 -17.610 17.840 384 HA HIS 66 HA HIS 66 -13.499 -17.201 15.872 385 1HB HIS 66 HB2 HIS 66 -10.775 -18.060 15.031 386 2HB HIS 66 HB1 HIS 66 -12.017 -18.036 13.778 387 HD1 HIS 66 HD1 HIS 66 -9.957 -15.816 15.935 388 HD2 HIS 66 HD2 HIS 66 -13.174 -15.422 13.314 389 HE1 HIS 66 HE1 HIS 66 -10.187 -13.341 15.451 390 H HIS 67 HN HIS 67 -15.244 -18.630 16.064 391 HA HIS 67 HA HIS 67 -15.152 -21.443 15.733 392 1HB HIS 67 HB2 HIS 67 -17.096 -19.935 16.551 393 2HB HIS 67 HB1 HIS 67 -17.508 -19.782 14.844 394 HD1 HIS 67 HD1 HIS 67 -16.103 -22.953 16.319 395 HD2 HIS 67 HD2 HIS 67 -19.764 -21.490 14.967 396 HE1 HIS 67 HE1 HIS 67 -17.673 -24.938 16.215 397 H PHE 68 HN PHE 68 -16.610 -19.263 13.298 398 HA PHE 68 HA PHE 68 -15.498 -21.086 11.210 399 1HB PHE 68 HB2 PHE 68 -18.107 -19.950 11.625 400 2HB PHE 68 HB1 PHE 68 -17.455 -19.349 10.100 401 HD1 PHE 68 HD1 PHE 68 -18.161 -22.439 12.048 402 HD2 PHE 68 HD2 PHE 68 -17.240 -20.767 8.201 403 HE1 PHE 68 HE1 PHE 68 -18.630 -24.631 10.983 404 HE2 PHE 68 HE2 PHE 68 -17.707 -22.958 7.136 405 HZ PHE 68 HZ PHE 68 -18.402 -24.890 8.528 406 H SER 69 HN SER 69 -14.541 -20.115 9.325 407 HA SER 69 HA SER 69 -13.554 -17.342 9.819 408 1HB SER 69 HB2 SER 69 -12.462 -19.564 8.067 409 2HB SER 69 HB1 SER 69 -11.776 -17.945 8.163 410 HG SER 69 HG SER 69 -12.172 -19.674 10.382 411 H GLU 70 HN GLU 70 -13.448 -15.891 7.933 412 HA GLU 70 HA GLU 70 -15.407 -16.630 5.798 413 1HB GLU 70 HB2 GLU 70 -16.302 -14.382 5.839 414 2HB GLU 70 HB1 GLU 70 -16.344 -15.010 7.487 415 1HG GLU 70 HG2 GLU 70 -14.030 -13.901 7.772 416 2HG GLU 70 HG1 GLU 70 -14.415 -13.020 6.293 417 HA PRO 71 HA PRO 71 -12.174 -15.598 3.004 418 1HB PRO 71 HB2 PRO 71 -13.991 -14.725 0.967 419 2HB PRO 71 HB1 PRO 71 -13.205 -16.303 1.107 420 1HG PRO 71 HG2 PRO 71 -15.988 -15.666 1.561 421 2HG PRO 71 HG1 PRO 71 -15.204 -17.247 1.658 422 1HD PRO 71 HD2 PRO 71 -16.146 -15.612 3.834 423 2HD PRO 71 HD1 PRO 71 -15.348 -17.194 3.927 424 H GLU 72 HN GLU 72 -14.712 -13.351 3.858 425 HA GLU 72 HA GLU 72 -14.094 -10.999 2.549 426 1HB GLU 72 HB2 GLU 72 -15.720 -11.471 4.565 427 2HB GLU 72 HB1 GLU 72 -14.363 -10.907 5.541 428 1HG GLU 72 HG2 GLU 72 -15.012 -8.798 5.101 429 2HG GLU 72 HG1 GLU 72 -14.569 -9.073 3.415 430 H ILE 73 HN ILE 73 -12.502 -11.951 5.627 431 HA ILE 73 HA ILE 73 -10.506 -9.947 5.515 432 HB ILE 73 HB ILE 73 -9.411 -11.120 7.229 433 1HG1 ILE 73 HG12 ILE 73 -10.568 -13.663 6.040 434 2HG1 ILE 73 HG11 ILE 73 -8.891 -13.126 5.908 435 1HG2 ILE 73 HG23 ILE 73 -11.964 -10.721 7.566 436 2HG2 ILE 73 HG22 ILE 73 -12.095 -12.474 7.427 437 3HG2 ILE 73 HG21 ILE 73 -11.118 -11.761 8.711 438 1HD1 ILE 73 HD12 ILE 73 -9.569 -13.058 8.665 439 2HD1 ILE 73 HD11 ILE 73 -10.140 -14.603 8.035 440 3HD1 ILE 73 HD13 ILE 73 -8.444 -14.153 7.860 441 H THR 74 HN THR 74 -10.492 -13.278 4.229 442 HA THR 74 HA THR 74 -7.924 -13.511 3.241 443 HB THR 74 HB THR 74 -10.405 -14.160 1.621 444 HG1 THR 74 HG1 THR 74 -9.830 -16.283 2.747 445 1HG2 THR 74 HG22 THR 74 -7.573 -14.582 1.244 446 2HG2 THR 74 HG21 THR 74 -8.404 -16.130 1.388 447 3HG2 THR 74 HG23 THR 74 -8.906 -14.971 0.158 448 H LEU 75 HN LEU 75 -10.609 -11.750 1.684 449 HA LEU 75 HA LEU 75 -8.942 -10.771 -0.491 450 1HB LEU 75 HB2 LEU 75 -11.667 -10.849 -0.009 451 2HB LEU 75 HB1 LEU 75 -11.290 -9.144 0.225 452 HG LEU 75 HG LEU 75 -10.633 -10.805 -2.226 453 1HD1 LEU 75 HD11 LEU 75 -13.024 -9.671 -1.533 454 2HD1 LEU 75 HD13 LEU 75 -12.260 -8.345 -2.409 455 3HD1 LEU 75 HD12 LEU 75 -12.488 -9.908 -3.196 456 1HD2 LEU 75 HD21 LEU 75 -9.302 -8.537 -1.220 457 2HD2 LEU 75 HD23 LEU 75 -9.187 -9.189 -2.853 458 3HD2 LEU 75 HD22 LEU 75 -10.362 -7.927 -2.490 459 H ILE 76 HN ILE 76 -10.220 -9.302 2.522 460 HA ILE 76 HA ILE 76 -9.028 -6.756 2.153 461 HB ILE 76 HB ILE 76 -9.575 -8.284 4.715 462 1HG1 ILE 76 HG12 ILE 76 -11.137 -6.008 3.482 463 2HG1 ILE 76 HG11 ILE 76 -11.481 -7.694 3.100 464 1HG2 ILE 76 HG22 ILE 76 -7.876 -6.439 4.938 465 2HG2 ILE 76 HG21 ILE 76 -9.098 -5.317 4.342 466 3HG2 ILE 76 HG23 ILE 76 -9.352 -6.171 5.863 467 1HD1 ILE 76 HD13 ILE 76 -11.217 -7.131 5.981 468 2HD1 ILE 76 HD12 ILE 76 -12.589 -6.341 5.204 469 3HD1 ILE 76 HD11 ILE 76 -12.423 -8.094 5.128 470 H ILE 77 HN ILE 77 -7.677 -9.632 3.843 471 HA ILE 77 HA ILE 77 -5.186 -8.436 4.535 472 HB ILE 77 HB ILE 77 -5.935 -11.305 3.923 473 1HG1 ILE 77 HG12 ILE 77 -5.025 -10.364 6.592 474 2HG1 ILE 77 HG11 ILE 77 -6.597 -9.772 6.053 475 1HG2 ILE 77 HG21 ILE 77 -3.291 -10.052 4.564 476 2HG2 ILE 77 HG23 ILE 77 -3.671 -11.621 5.273 477 3HG2 ILE 77 HG22 ILE 77 -3.653 -11.427 3.521 478 1HD1 ILE 77 HD11 ILE 77 -5.836 -12.698 5.959 479 2HD1 ILE 77 HD13 ILE 77 -6.641 -11.966 7.347 480 3HD1 ILE 77 HD12 ILE 77 -7.440 -11.992 5.776 481 H PHE 78 HN PHE 78 -6.143 -10.308 1.690 482 HA PHE 78 HA PHE 78 -3.669 -10.201 0.317 483 1HB PHE 78 HB2 PHE 78 -4.974 -11.625 -0.867 484 2HB PHE 78 HB1 PHE 78 -6.461 -10.848 -0.342 485 HD1 PHE 78 HD1 PHE 78 -3.570 -10.387 -2.679 486 HD2 PHE 78 HD2 PHE 78 -7.685 -9.540 -1.813 487 HE1 PHE 78 HE1 PHE 78 -3.813 -9.319 -4.906 488 HE2 PHE 78 HE2 PHE 78 -7.936 -8.469 -4.043 489 HZ PHE 78 HZ PHE 78 -5.997 -8.360 -5.588 490 H GLY 79 HN GLY 79 -6.442 -7.928 0.164 491 1HA GLY 79 HA2 GLY 79 -5.341 -6.189 -1.783 492 2HA GLY 79 HA1 GLY 79 -6.474 -5.678 -0.529 493 H VAL 80 HN VAL 80 -5.000 -6.065 1.790 494 HA VAL 80 HA VAL 80 -3.347 -3.756 1.869 495 HB VAL 80 HB VAL 80 -3.324 -6.195 3.669 496 1HG1 VAL 80 HG13 VAL 80 -1.462 -4.119 3.543 497 2HG1 VAL 80 HG12 VAL 80 -2.558 -3.630 4.834 498 3HG1 VAL 80 HG11 VAL 80 -1.732 -5.187 4.920 499 1HG2 VAL 80 HG23 VAL 80 -5.345 -4.350 3.234 500 2HG2 VAL 80 HG22 VAL 80 -5.145 -5.307 4.702 501 3HG2 VAL 80 HG21 VAL 80 -4.493 -3.671 4.622 502 H MET 81 HN MET 81 -2.458 -7.200 1.617 503 HA MET 81 HA MET 81 0.355 -6.850 1.472 504 1HB MET 81 HB2 MET 81 -1.497 -8.935 0.301 505 2HB MET 81 HB1 MET 81 0.255 -9.027 0.118 506 1HG MET 81 HG2 MET 81 0.134 -8.581 2.769 507 2HG MET 81 HG1 MET 81 -1.419 -9.390 2.554 508 1HE MET 81 HE2 MET 81 -1.936 -11.313 2.132 509 2HE MET 81 HE1 MET 81 -1.147 -12.206 0.835 510 3HE MET 81 HE3 MET 81 -0.979 -12.742 2.511 511 H ALA 82 HN ALA 82 -2.084 -6.952 -1.123 512 HA ALA 82 HA ALA 82 -0.316 -6.621 -3.300 513 1HB ALA 82 HB1 ALA 82 -3.197 -6.395 -2.863 514 2HB ALA 82 HB3 ALA 82 -2.613 -5.238 -4.063 515 3HB ALA 82 HB2 ALA 82 -2.316 -6.961 -4.279 516 H GLY 83 HN GLY 83 -1.958 -4.080 -1.342 517 1HA GLY 83 HA2 GLY 83 -0.970 -1.868 -2.810 518 2HA GLY 83 HA1 GLY 83 -1.366 -1.823 -1.090 519 H VAL 84 HN VAL 84 0.475 -3.580 -0.015 520 HA VAL 84 HA VAL 84 2.830 -2.007 0.178 521 HB VAL 84 HB VAL 84 2.419 -4.963 0.710 522 1HG1 VAL 84 HG12 VAL 84 4.832 -3.436 0.594 523 2HG1 VAL 84 HG11 VAL 84 4.500 -3.796 2.287 524 3HG1 VAL 84 HG13 VAL 84 4.627 -5.108 1.115 525 1HG2 VAL 84 HG23 VAL 84 1.962 -2.436 2.214 526 2HG2 VAL 84 HG22 VAL 84 1.107 -3.975 2.316 527 3HG2 VAL 84 HG21 VAL 84 2.662 -3.774 3.125 528 H ILE 85 HN ILE 85 2.231 -4.966 -1.746 529 HA ILE 85 HA ILE 85 4.795 -5.169 -2.924 530 HB ILE 85 HB ILE 85 2.053 -5.921 -3.960 531 1HG1 ILE 85 HG12 ILE 85 4.324 -7.706 -3.069 532 2HG1 ILE 85 HG11 ILE 85 3.151 -7.057 -1.922 533 1HG2 ILE 85 HG22 ILE 85 4.782 -6.551 -5.127 534 2HG2 ILE 85 HG21 ILE 85 3.265 -7.282 -5.649 535 3HG2 ILE 85 HG23 ILE 85 3.537 -5.554 -5.879 536 1HD1 ILE 85 HD13 ILE 85 2.068 -8.333 -4.387 537 2HD1 ILE 85 HD12 ILE 85 2.769 -9.402 -3.173 538 3HD1 ILE 85 HD11 ILE 85 1.428 -8.341 -2.744 539 H GLY 86 HN GLY 86 1.912 -3.401 -4.112 540 1HA GLY 86 HA2 GLY 86 3.054 -2.437 -6.511 541 2HA GLY 86 HA1 GLY 86 1.775 -1.611 -5.621 542 H THR 87 HN THR 87 3.050 -0.932 -3.260 543 HA THR 87 HA THR 87 4.485 1.411 -3.968 544 HB THR 87 HB THR 87 4.731 -0.125 -1.365 545 HG1 THR 87 HG1 THR 87 2.570 0.247 -1.842 546 1HG2 THR 87 HG23 THR 87 5.399 2.640 -2.294 547 2HG2 THR 87 HG22 THR 87 4.850 2.419 -0.633 548 3HG2 THR 87 HG21 THR 87 6.291 1.579 -1.203 549 H ILE 88 HN ILE 88 5.701 -1.758 -2.859 550 HA ILE 88 HA ILE 88 8.466 -1.138 -2.919 551 HB ILE 88 HB ILE 88 6.999 -3.735 -3.447 552 1HG1 ILE 88 HG12 ILE 88 8.530 -2.659 -1.056 553 2HG1 ILE 88 HG11 ILE 88 6.776 -2.793 -1.177 554 1HG2 ILE 88 HG22 ILE 88 9.964 -3.199 -3.104 555 2HG2 ILE 88 HG21 ILE 88 9.230 -4.800 -3.024 556 3HG2 ILE 88 HG23 ILE 88 9.174 -3.878 -4.527 557 1HD1 ILE 88 HD12 ILE 88 8.683 -5.137 -1.403 558 2HD1 ILE 88 HD11 ILE 88 7.817 -4.699 0.069 559 3HD1 ILE 88 HD13 ILE 88 6.922 -5.213 -1.361 560 H LEU 89 HN LEU 89 6.380 -2.455 -5.505 561 HA LEU 89 HA LEU 89 8.383 -2.683 -7.489 562 1HB LEU 89 HB2 LEU 89 6.581 -3.554 -8.526 563 2HB LEU 89 HB1 LEU 89 5.505 -2.822 -7.342 564 HG LEU 89 HG LEU 89 5.672 -0.669 -8.672 565 1HD1 LEU 89 HD13 LEU 89 7.412 -2.465 -10.265 566 2HD1 LEU 89 HD12 LEU 89 6.290 -1.472 -11.195 567 3HD1 LEU 89 HD11 LEU 89 7.451 -0.708 -10.109 568 1HD2 LEU 89 HD23 LEU 89 4.558 -3.152 -10.012 569 2HD2 LEU 89 HD22 LEU 89 3.711 -2.100 -8.879 570 3HD2 LEU 89 HD21 LEU 89 4.147 -1.503 -10.480 571 H LEU 90 HN LEU 90 6.261 0.089 -6.718 572 HA LEU 90 HA LEU 90 7.217 1.852 -8.728 573 1HB LEU 90 HB2 LEU 90 6.285 2.491 -5.911 574 2HB LEU 90 HB1 LEU 90 6.455 3.670 -7.212 575 HG LEU 90 HG LEU 90 4.726 1.200 -7.462 576 1HD1 LEU 90 HD13 LEU 90 4.150 3.894 -6.275 577 2HD1 LEU 90 HD12 LEU 90 2.883 3.073 -7.184 578 3HD1 LEU 90 HD11 LEU 90 3.586 2.305 -5.761 579 1HD2 LEU 90 HD23 LEU 90 5.167 3.726 -9.044 580 2HD2 LEU 90 HD22 LEU 90 5.157 2.055 -9.609 581 3HD2 LEU 90 HD21 LEU 90 3.642 2.849 -9.174 582 H ILE 91 HN ILE 91 8.401 1.362 -5.390 583 HA ILE 91 HA ILE 91 10.485 3.283 -5.459 584 HB ILE 91 HB ILE 91 10.410 0.603 -4.037 585 1HG1 ILE 91 HG12 ILE 91 9.798 3.349 -2.924 586 2HG1 ILE 91 HG11 ILE 91 8.545 2.312 -3.607 587 1HG2 ILE 91 HG23 ILE 91 12.159 3.052 -3.697 588 2HG2 ILE 91 HG22 ILE 91 12.014 1.791 -2.473 589 3HG2 ILE 91 HG21 ILE 91 12.679 1.406 -4.060 590 1HD1 ILE 91 HD11 ILE 91 9.369 0.494 -2.012 591 2HD1 ILE 91 HD13 ILE 91 10.310 1.755 -1.216 592 3HD1 ILE 91 HD12 ILE 91 8.551 1.864 -1.259 593 H SER 92 HN SER 92 10.581 -0.182 -6.377 594 HA SER 92 HA SER 92 13.325 -0.235 -7.095 595 1HB SER 92 HB2 SER 92 12.866 -2.278 -8.111 596 2HB SER 92 HB1 SER 92 11.471 -2.134 -7.047 597 HG SER 92 HG SER 92 10.597 -2.527 -8.995 598 H TYR 93 HN TYR 93 10.452 0.532 -9.080 599 HA TYR 93 HA TYR 93 11.831 1.085 -11.498 600 1HB TYR 93 HB2 TYR 93 9.251 1.022 -10.915 601 2HB TYR 93 HB1 TYR 93 9.476 2.757 -10.688 602 HD1 TYR 93 HD1 TYR 93 10.762 0.187 -13.110 603 HD2 TYR 93 HD2 TYR 93 8.882 4.007 -12.553 604 HE1 TYR 93 HE1 TYR 93 10.706 0.517 -15.568 605 HE2 TYR 93 HE2 TYR 93 8.824 4.339 -15.010 606 HH TYR 93 HH TYR 93 9.943 3.552 -16.996 607 H GLY 94 HN GLY 94 10.959 3.297 -8.819 608 1HA GLY 94 HA2 GLY 94 12.065 5.658 -9.924 609 2HA GLY 94 HA1 GLY 94 11.906 5.348 -8.194 610 H ILE 95 HN ILE 95 13.586 3.201 -7.822 611 HA ILE 95 HA ILE 95 16.144 4.416 -7.658 612 HB ILE 95 HB ILE 95 15.182 1.569 -7.482 613 1HG1 ILE 95 HG12 ILE 95 16.621 2.183 -5.235 614 2HG1 ILE 95 HG11 ILE 95 16.006 3.771 -5.693 615 1HG2 ILE 95 HG22 ILE 95 17.998 2.515 -7.838 616 2HG2 ILE 95 HG21 ILE 95 17.697 1.234 -6.666 617 3HG2 ILE 95 HG23 ILE 95 17.250 1.004 -8.356 618 1HD1 ILE 95 HD11 ILE 95 14.084 1.493 -5.782 619 2HD1 ILE 95 HD13 ILE 95 14.573 2.073 -4.190 620 3HD1 ILE 95 HD12 ILE 95 13.813 3.178 -5.335 621 H ARG 96 HN ARG 96 14.909 2.079 -10.070 622 HA ARG 96 HA ARG 96 17.277 1.875 -11.617 623 1HB ARG 96 HB2 ARG 96 15.319 0.430 -11.995 624 2HB ARG 96 HB1 ARG 96 14.395 1.819 -12.569 625 1HG ARG 96 HG2 ARG 96 15.281 1.627 -14.628 626 2HG ARG 96 HG1 ARG 96 16.917 1.658 -13.971 627 1HD ARG 96 HD2 ARG 96 16.631 -0.451 -15.115 628 2HD ARG 96 HD1 ARG 96 16.642 -0.779 -13.382 629 HE ARG 96 HE ARG 96 13.955 -0.444 -13.977 630 1HH1 ARG 96 HH21 ARG 96 14.988 -1.506 -16.689 631 2HH1 ARG 96 HH22 ARG 96 14.663 -3.198 -16.507 632 1HH2 ARG 96 HH11 ARG 96 14.206 -3.010 -13.074 633 2HH2 ARG 96 HH12 ARG 96 14.220 -4.049 -14.460 634 H ARG 97 HN ARG 97 14.559 4.174 -11.935 635 HA ARG 97 HA ARG 97 15.560 5.592 -14.166 636 1HB ARG 97 HB2 ARG 97 13.306 5.994 -13.410 637 2HB ARG 97 HB1 ARG 97 13.877 6.532 -11.830 638 1HG ARG 97 HG2 ARG 97 15.232 8.104 -13.764 639 2HG ARG 97 HG1 ARG 97 13.531 8.077 -14.232 640 1HD ARG 97 HD2 ARG 97 12.943 8.668 -11.856 641 2HD ARG 97 HD1 ARG 97 14.664 8.876 -11.537 642 HE ARG 97 HE ARG 97 13.169 10.942 -12.502 643 1HH1 ARG 97 HH11 ARG 97 16.211 9.673 -13.045 644 2HH1 ARG 97 HH12 ARG 97 16.515 10.546 -14.509 645 1HH2 ARG 97 HH21 ARG 97 13.276 11.754 -14.775 646 2HH2 ARG 97 HH22 ARG 97 14.854 11.724 -15.490 647 H LEU 98 HN LEU 98 16.088 6.223 -10.690 648 HA LEU 98 HA LEU 98 17.703 8.531 -10.982 649 1HB LEU 98 HB2 LEU 98 17.103 6.607 -8.884 650 2HB LEU 98 HB1 LEU 98 18.791 7.117 -8.820 651 HG LEU 98 HG LEU 98 16.969 9.346 -9.337 652 1HD1 LEU 98 HD12 LEU 98 16.332 7.428 -7.201 653 2HD1 LEU 98 HD11 LEU 98 16.532 9.084 -6.628 654 3HD1 LEU 98 HD13 LEU 98 15.345 8.723 -7.882 655 1HD2 LEU 98 HD22 LEU 98 19.480 8.805 -8.126 656 2HD2 LEU 98 HD21 LEU 98 18.719 10.379 -8.362 657 3HD2 LEU 98 HD23 LEU 98 18.448 9.483 -6.867 658 H ILE 99 HN ILE 99 18.657 5.099 -10.865 659 HA ILE 99 HA ILE 99 21.466 5.675 -11.289 660 HB ILE 99 HB ILE 99 21.651 3.224 -11.636 661 1HG1 ILE 99 HG12 ILE 99 18.653 3.155 -11.235 662 2HG1 ILE 99 HG11 ILE 99 19.385 3.124 -12.836 663 1HG2 ILE 99 HG21 ILE 99 20.702 4.596 -9.323 664 2HG2 ILE 99 HG23 ILE 99 19.883 3.035 -9.386 665 3HG2 ILE 99 HG22 ILE 99 21.646 3.107 -9.388 666 1HD1 ILE 99 HD13 ILE 99 20.217 1.179 -10.682 667 2HD1 ILE 99 HD12 ILE 99 18.856 0.846 -11.754 668 3HD1 ILE 99 HD11 ILE 99 20.474 1.059 -12.423 669 H LYS 100 HN LYS 100 18.740 4.870 -13.404 670 HA LYS 100 HA LYS 100 20.462 5.591 -15.719 671 1HB LYS 100 HB2 LYS 100 19.714 2.933 -15.087 672 2HB LYS 100 HB1 LYS 100 18.719 3.420 -16.461 673 1HG LYS 100 HG2 LYS 100 20.485 3.204 -17.838 674 2HG LYS 100 HG1 LYS 100 21.379 4.392 -16.889 675 1HD LYS 100 HD2 LYS 100 21.461 2.109 -15.305 676 2HD LYS 100 HD1 LYS 100 21.650 1.483 -16.943 677 1HE LYS 100 HE2 LYS 100 23.515 2.976 -17.362 678 2HE LYS 100 HE1 LYS 100 23.270 3.781 -15.811 679 1HZ LYS 100 HZ1 LYS 100 23.500 0.994 -15.428 680 2HZ LYS 100 HZ3 LYS 100 24.829 1.550 -16.324 681 3HZ LYS 100 HZ2 LYS 100 24.477 2.240 -14.812 682 H LYS 101 HN LYS 101 19.365 6.772 -17.246 683 HA LYS 101 HA LYS 101 16.683 6.620 -17.987 684 1HB LYS 101 HB2 LYS 101 15.952 7.126 -15.761 685 2HB LYS 101 HB1 LYS 101 17.116 8.442 -15.609 686 1HG LYS 101 HG2 LYS 101 14.805 9.263 -16.066 687 2HG LYS 101 HG1 LYS 101 15.946 9.724 -17.330 688 1HD LYS 101 HD2 LYS 101 14.674 8.676 -18.858 689 2HD LYS 101 HD1 LYS 101 14.897 7.153 -17.997 690 1HE LYS 101 HE2 LYS 101 12.918 9.112 -16.906 691 2HE LYS 101 HE1 LYS 101 12.471 8.181 -18.336 692 1HZ LYS 101 HZ3 LYS 101 13.611 6.884 -15.940 693 2HZ LYS 101 HZ2 LYS 101 11.944 7.183 -16.076 694 3HZ LYS 101 HZ1 LYS 101 12.725 6.179 -17.202 No H/Q in entry = 694 Start of MODEL 10 1 1H VAL 62 HT2 VAL 62 -32.402 -12.052 -6.248 2 2H VAL 62 HT1 VAL 62 -33.884 -12.883 -6.250 3 3H VAL 62 HT3 VAL 62 -33.611 -11.636 -7.367 4 HA VAL 62 HA VAL 62 -34.859 -10.506 -5.853 5 HB VAL 62 HB VAL 62 -33.521 -12.272 -3.784 6 1HG1 VAL 62 HG12 VAL 62 -35.500 -9.997 -3.456 7 2HG1 VAL 62 HG11 VAL 62 -35.111 -11.161 -2.189 8 3HG1 VAL 62 HG13 VAL 62 -33.864 -10.076 -2.802 9 1HG2 VAL 62 HG21 VAL 62 -35.967 -12.401 -5.365 10 2HG2 VAL 62 HG23 VAL 62 -35.232 -13.639 -4.347 11 3HG2 VAL 62 HG22 VAL 62 -36.311 -12.439 -3.635 12 H GLN 63 HN GLN 63 -33.434 -8.847 -6.740 13 HA GLN 63 HA GLN 63 -31.214 -8.097 -4.885 14 1HB GLN 63 HB2 GLN 63 -30.916 -8.620 -7.507 15 2HB GLN 63 HB1 GLN 63 -31.386 -6.927 -7.629 16 1HG GLN 63 HG2 GLN 63 -28.951 -8.120 -6.304 17 2HG GLN 63 HG1 GLN 63 -29.048 -6.801 -7.468 18 1HE2 GLN 63 HE22 GLN 63 -29.646 -6.005 -3.494 19 2HE2 GLN 63 HE21 GLN 63 -29.638 -7.613 -4.039 20 H LEU 64 HN LEU 64 -34.204 -7.440 -4.901 21 HA LEU 64 HA LEU 64 -35.553 -5.556 -4.501 22 1HB LEU 64 HB2 LEU 64 -32.858 -4.915 -3.423 23 2HB LEU 64 HB1 LEU 64 -33.964 -3.555 -3.625 24 HG LEU 64 HG LEU 64 -34.128 -4.639 -1.368 25 1HD1 LEU 64 HD11 LEU 64 -36.142 -3.729 -3.032 26 2HD1 LEU 64 HD13 LEU 64 -36.756 -5.295 -2.499 27 3HD1 LEU 64 HD12 LEU 64 -36.319 -4.068 -1.310 28 1HD2 LEU 64 HD22 LEU 64 -33.699 -6.968 -2.336 29 2HD2 LEU 64 HD21 LEU 64 -34.997 -6.859 -1.146 30 3HD2 LEU 64 HD23 LEU 64 -35.382 -6.954 -2.863 31 H ALA 65 HN ALA 65 -32.754 -3.568 -5.302 32 HA ALA 65 HA ALA 65 -33.017 -3.172 -8.023 33 1HB ALA 65 HB1 ALA 65 -35.275 -1.980 -6.510 34 2HB ALA 65 HB3 ALA 65 -34.543 -0.955 -7.744 35 3HB ALA 65 HB2 ALA 65 -35.208 -2.526 -8.185 36 H HIS 66 HN HIS 66 -32.483 -1.793 -4.877 37 HA HIS 66 HA HIS 66 -30.870 0.403 -6.083 38 1HB HIS 66 HB2 HIS 66 -31.403 0.069 -3.136 39 2HB HIS 66 HB1 HIS 66 -31.056 1.547 -4.034 40 HD1 HIS 66 HD1 HIS 66 -33.056 2.924 -4.584 41 HD2 HIS 66 HD2 HIS 66 -34.062 -1.086 -4.042 42 HE1 HIS 66 HE1 HIS 66 -35.575 2.780 -4.807 43 H HIS 67 HN HIS 67 -29.184 0.677 -3.727 44 HA HIS 67 HA HIS 67 -27.205 -0.198 -2.803 45 1HB HIS 67 HB2 HIS 67 -28.884 -2.482 -3.184 46 2HB HIS 67 HB1 HIS 67 -27.253 -2.911 -3.697 47 HD1 HIS 67 HD1 HIS 67 -26.763 -4.343 -1.596 48 HD2 HIS 67 HD2 HIS 67 -27.753 -0.389 -0.723 49 HE1 HIS 67 HE1 HIS 67 -26.200 -3.986 0.847 50 H PHE 68 HN PHE 68 -25.066 -0.859 -3.582 51 HA PHE 68 HA PHE 68 -24.893 -0.882 -6.571 52 1HB PHE 68 HB2 PHE 68 -22.758 0.267 -4.774 53 2HB PHE 68 HB1 PHE 68 -23.013 0.550 -6.496 54 HD1 PHE 68 HD1 PHE 68 -25.861 1.112 -6.698 55 HD2 PHE 68 HD2 PHE 68 -23.054 2.318 -3.680 56 HE1 PHE 68 HE1 PHE 68 -27.280 3.075 -6.164 57 HE2 PHE 68 HE2 PHE 68 -24.471 4.282 -3.145 58 HZ PHE 68 HZ PHE 68 -26.584 4.660 -4.387 59 H SER 69 HN SER 69 -23.288 -1.867 -3.540 60 HA SER 69 HA SER 69 -22.661 -4.479 -4.574 61 1HB SER 69 HB2 SER 69 -20.941 -2.603 -5.563 62 2HB SER 69 HB1 SER 69 -20.106 -3.071 -4.085 63 HG SER 69 HG SER 69 -20.981 -4.727 -6.216 64 H GLU 70 HN GLU 70 -20.576 -5.252 -3.010 65 HA GLU 70 HA GLU 70 -21.690 -4.874 -0.299 66 1HB GLU 70 HB2 GLU 70 -19.723 -6.797 -1.535 67 2HB GLU 70 HB1 GLU 70 -19.867 -6.655 0.217 68 1HG GLU 70 HG2 GLU 70 -22.341 -7.008 -1.450 69 2HG GLU 70 HG1 GLU 70 -21.347 -8.411 -1.058 70 HA PRO 71 HA PRO 71 -18.693 -1.971 1.027 71 1HB PRO 71 HB2 PRO 71 -18.448 -3.135 3.645 72 2HB PRO 71 HB1 PRO 71 -19.396 -1.721 3.169 73 1HG PRO 71 HG2 PRO 71 -20.378 -4.336 3.887 74 2HG PRO 71 HG1 PRO 71 -21.320 -2.918 3.409 75 1HD PRO 71 HD2 PRO 71 -20.829 -5.312 1.875 76 2HD PRO 71 HD1 PRO 71 -21.776 -3.887 1.400 77 H GLU 72 HN GLU 72 -18.136 -5.344 0.931 78 HA GLU 72 HA GLU 72 -15.652 -5.770 2.086 79 1HB GLU 72 HB2 GLU 72 -17.191 -6.986 -0.013 80 2HB GLU 72 HB1 GLU 72 -15.500 -6.921 -0.513 81 1HG GLU 72 HG2 GLU 72 -14.928 -7.850 1.799 82 2HG GLU 72 HG1 GLU 72 -16.651 -8.184 1.981 83 H ILE 73 HN ILE 73 -16.349 -4.036 -0.930 84 HA ILE 73 HA ILE 73 -13.596 -3.685 -1.685 85 HB ILE 73 HB ILE 73 -15.751 -3.416 -3.110 86 1HG1 ILE 73 HG12 ILE 73 -14.536 -1.393 -4.315 87 2HG1 ILE 73 HG11 ILE 73 -13.270 -1.756 -3.142 88 1HG2 ILE 73 HG21 ILE 73 -16.783 -1.741 -1.554 89 2HG2 ILE 73 HG23 ILE 73 -15.514 -0.602 -2.003 90 3HG2 ILE 73 HG22 ILE 73 -16.663 -1.165 -3.217 91 1HD1 ILE 73 HD13 ILE 73 -13.987 -4.264 -4.040 92 2HD1 ILE 73 HD12 ILE 73 -14.117 -3.284 -5.501 93 3HD1 ILE 73 HD11 ILE 73 -12.595 -3.344 -4.612 94 H THR 74 HN THR 74 -15.851 -1.871 0.333 95 HA THR 74 HA THR 74 -14.284 0.510 0.595 96 HB THR 74 HB THR 74 -15.807 -0.303 2.984 97 HG1 THR 74 HG1 THR 74 -16.951 -0.258 0.400 98 1HG2 THR 74 HG23 THR 74 -14.967 2.035 1.999 99 2HG2 THR 74 HG22 THR 74 -16.538 1.973 1.201 100 3HG2 THR 74 HG21 THR 74 -16.440 1.911 2.961 101 H LEU 75 HN LEU 75 -14.444 -2.449 2.602 102 HA LEU 75 HA LEU 75 -12.281 -1.491 4.323 103 1HB LEU 75 HB2 LEU 75 -14.212 -3.220 4.841 104 2HB LEU 75 HB1 LEU 75 -13.068 -4.382 4.168 105 HG LEU 75 HG LEU 75 -12.676 -2.562 6.552 106 1HD1 LEU 75 HD13 LEU 75 -13.686 -5.074 6.432 107 2HD1 LEU 75 HD12 LEU 75 -11.966 -5.444 6.553 108 3HD1 LEU 75 HD11 LEU 75 -12.751 -4.477 7.803 109 1HD2 LEU 75 HD22 LEU 75 -10.661 -4.055 4.868 110 2HD2 LEU 75 HD21 LEU 75 -10.606 -2.377 5.406 111 3HD2 LEU 75 HD23 LEU 75 -10.348 -3.683 6.562 112 H ILE 76 HN ILE 76 -12.555 -4.007 1.775 113 HA ILE 76 HA ILE 76 -9.850 -4.852 1.894 114 HB ILE 76 HB ILE 76 -11.751 -4.675 -0.465 115 1HG1 ILE 76 HG12 ILE 76 -10.852 -7.111 1.083 116 2HG1 ILE 76 HG11 ILE 76 -12.258 -6.163 1.570 117 1HG2 ILE 76 HG21 ILE 76 -9.249 -4.733 -1.022 118 2HG2 ILE 76 HG23 ILE 76 -9.234 -6.339 -0.294 119 3HG2 ILE 76 HG22 ILE 76 -10.238 -6.018 -1.709 120 1HD1 ILE 76 HD13 ILE 76 -12.258 -6.766 -1.290 121 2HD1 ILE 76 HD12 ILE 76 -12.267 -8.221 -0.294 122 3HD1 ILE 76 HD11 ILE 76 -13.530 -7.008 -0.093 123 H ILE 77 HN ILE 77 -11.344 -2.271 -0.095 124 HA ILE 77 HA ILE 77 -8.935 -1.406 -1.337 125 HB ILE 77 HB ILE 77 -11.382 -0.682 -1.818 126 1HG1 ILE 77 HG12 ILE 77 -9.471 1.639 -1.755 127 2HG1 ILE 77 HG11 ILE 77 -9.106 0.230 -2.751 128 1HG2 ILE 77 HG23 ILE 77 -10.608 1.331 0.314 129 2HG2 ILE 77 HG22 ILE 77 -12.011 1.461 -0.745 130 3HG2 ILE 77 HG21 ILE 77 -11.908 0.147 0.423 131 1HD1 ILE 77 HD11 ILE 77 -11.736 0.652 -3.376 132 2HD1 ILE 77 HD13 ILE 77 -11.175 2.304 -3.114 133 3HD1 ILE 77 HD12 ILE 77 -10.382 1.282 -4.313 134 H PHE 78 HN PHE 78 -10.497 -0.347 1.686 135 HA PHE 78 HA PHE 78 -8.582 1.608 2.428 136 1HB PHE 78 HB2 PHE 78 -10.675 0.065 3.811 137 2HB PHE 78 HB1 PHE 78 -9.329 0.530 4.848 138 HD1 PHE 78 HD1 PHE 78 -11.159 2.129 1.983 139 HD2 PHE 78 HD2 PHE 78 -9.711 2.506 6.009 140 HE1 PHE 78 HE1 PHE 78 -12.021 4.453 2.075 141 HE2 PHE 78 HE2 PHE 78 -10.574 4.829 6.102 142 HZ PHE 78 HZ PHE 78 -11.728 5.802 4.134 143 H GLY 79 HN GLY 79 -8.645 -1.891 3.195 144 1HA GLY 79 HA2 GLY 79 -6.291 -1.940 4.766 145 2HA GLY 79 HA1 GLY 79 -6.870 -3.308 3.813 146 H VAL 80 HN VAL 80 -6.639 -2.347 1.217 147 HA VAL 80 HA VAL 80 -3.877 -2.709 0.660 148 HB VAL 80 HB VAL 80 -5.991 -1.323 -1.016 149 1HG1 VAL 80 HG12 VAL 80 -3.227 -2.383 -1.647 150 2HG1 VAL 80 HG11 VAL 80 -4.441 -2.096 -2.894 151 3HG1 VAL 80 HG13 VAL 80 -3.847 -0.753 -1.916 152 1HG2 VAL 80 HG23 VAL 80 -5.942 -3.938 -0.140 153 2HG2 VAL 80 HG22 VAL 80 -6.724 -3.395 -1.625 154 3HG2 VAL 80 HG21 VAL 80 -5.090 -4.055 -1.679 155 H MET 81 HN MET 81 -5.806 0.286 0.819 156 HA MET 81 HA MET 81 -3.698 2.115 0.286 157 1HB MET 81 HB2 MET 81 -6.032 2.530 2.179 158 2HB MET 81 HB1 MET 81 -5.101 3.788 1.364 159 1HG MET 81 HG2 MET 81 -6.105 1.839 -0.540 160 2HG MET 81 HG1 MET 81 -7.422 2.540 0.401 161 1HE MET 81 HE2 MET 81 -6.874 4.803 1.340 162 2HE MET 81 HE1 MET 81 -5.771 5.975 0.622 163 3HE MET 81 HE3 MET 81 -7.483 5.976 0.176 164 H ALA 82 HN ALA 82 -4.876 0.786 3.369 165 HA ALA 82 HA ALA 82 -3.089 2.144 5.083 166 1HB ALA 82 HB3 ALA 82 -4.905 -0.118 5.291 167 2HB ALA 82 HB2 ALA 82 -3.436 -0.393 6.234 168 3HB ALA 82 HB1 ALA 82 -4.416 1.041 6.525 169 H GLY 83 HN GLY 83 -2.644 -1.018 3.418 170 1HA GLY 83 HA2 GLY 83 -0.111 -1.610 4.532 171 2HA GLY 83 HA1 GLY 83 -0.643 -2.144 2.936 172 H VAL 84 HN VAL 84 -0.921 0.250 1.575 173 HA VAL 84 HA VAL 84 1.747 0.861 0.822 174 HB VAL 84 HB VAL 84 -0.747 2.565 0.537 175 1HG1 VAL 84 HG12 VAL 84 1.415 3.801 0.241 176 2HG1 VAL 84 HG11 VAL 84 1.852 2.653 -1.025 177 3HG1 VAL 84 HG13 VAL 84 0.458 3.712 -1.238 178 1HG2 VAL 84 HG23 VAL 84 0.550 0.448 -1.200 179 2HG2 VAL 84 HG22 VAL 84 -1.082 0.440 -0.534 180 3HG2 VAL 84 HG21 VAL 84 -0.657 1.581 -1.811 181 H ILE 85 HN ILE 85 -0.477 2.681 2.962 182 HA ILE 85 HA ILE 85 1.282 4.810 3.596 183 HB ILE 85 HB ILE 85 -0.763 3.492 5.410 184 1HG1 ILE 85 HG12 ILE 85 -1.855 4.129 3.367 185 2HG1 ILE 85 HG11 ILE 85 -2.205 5.401 4.538 186 1HG2 ILE 85 HG23 ILE 85 1.104 5.388 6.070 187 2HG2 ILE 85 HG22 ILE 85 -0.250 6.393 5.557 188 3HG2 ILE 85 HG21 ILE 85 -0.464 5.221 6.857 189 1HD1 ILE 85 HD13 ILE 85 0.124 6.330 3.477 190 2HD1 ILE 85 HD12 ILE 85 -0.564 5.503 2.078 191 3HD1 ILE 85 HD11 ILE 85 -1.472 6.784 2.880 192 H GLY 86 HN GLY 86 0.843 1.671 5.257 193 1HA GLY 86 HA2 GLY 86 2.718 2.081 7.331 194 2HA GLY 86 HA1 GLY 86 2.297 0.501 6.671 195 H THR 87 HN THR 87 3.230 0.693 4.072 196 HA THR 87 HA THR 87 5.988 0.131 4.361 197 HB THR 87 HB THR 87 4.574 1.104 1.861 198 HG1 THR 87 HG1 THR 87 3.559 -0.700 2.752 199 1HG2 THR 87 HG22 THR 87 7.173 -0.343 2.378 200 2HG2 THR 87 HG21 THR 87 6.368 -0.400 0.810 201 3HG2 THR 87 HG23 THR 87 6.916 1.143 1.464 202 H ILE 88 HN ILE 88 4.410 3.140 3.210 203 HA ILE 88 HA ILE 88 6.799 4.597 2.725 204 HB ILE 88 HB ILE 88 4.143 5.632 3.768 205 1HG1 ILE 88 HG12 ILE 88 5.237 5.287 0.957 206 2HG1 ILE 88 HG11 ILE 88 3.895 4.391 1.671 207 1HG2 ILE 88 HG23 ILE 88 6.221 7.135 3.937 208 2HG2 ILE 88 HG22 ILE 88 6.224 7.134 2.174 209 3HG2 ILE 88 HG21 ILE 88 4.843 7.789 3.053 210 1HD1 ILE 88 HD11 ILE 88 3.484 7.252 1.939 211 2HD1 ILE 88 HD13 ILE 88 3.723 6.804 0.250 212 3HD1 ILE 88 HD12 ILE 88 2.441 6.043 1.192 213 H LEU 89 HN LEU 89 4.850 4.351 5.713 214 HA LEU 89 HA LEU 89 6.481 6.021 7.324 215 1HB LEU 89 HB2 LEU 89 4.745 5.540 8.688 216 2HB LEU 89 HB1 LEU 89 4.294 4.156 7.701 217 HG LEU 89 HG LEU 89 6.091 2.836 8.887 218 1HD1 LEU 89 HD11 LEU 89 6.722 5.435 9.877 219 2HD1 LEU 89 HD13 LEU 89 6.202 4.457 11.249 220 3HD1 LEU 89 HD12 LEU 89 7.537 3.912 10.234 221 1HD2 LEU 89 HD22 LEU 89 3.881 4.064 10.567 222 2HD2 LEU 89 HD21 LEU 89 3.741 2.632 9.548 223 3HD2 LEU 89 HD23 LEU 89 4.761 2.595 10.986 224 H LEU 90 HN LEU 90 6.635 2.509 6.756 225 HA LEU 90 HA LEU 90 8.854 1.938 8.428 226 1HB LEU 90 HB2 LEU 90 7.948 0.676 5.825 227 2HB LEU 90 HB1 LEU 90 9.237 0.010 6.829 228 HG LEU 90 HG LEU 90 6.634 0.678 8.144 229 1HD1 LEU 90 HD11 LEU 90 7.128 -1.653 6.285 230 2HD1 LEU 90 HD13 LEU 90 5.925 -1.723 7.572 231 3HD1 LEU 90 HD12 LEU 90 5.769 -0.529 6.284 232 1HD2 LEU 90 HD22 LEU 90 8.664 -0.140 9.380 233 2HD2 LEU 90 HD21 LEU 90 7.264 -1.197 9.560 234 3HD2 LEU 90 HD23 LEU 90 8.568 -1.640 8.458 235 H ILE 91 HN ILE 91 8.798 2.886 4.979 236 HA ILE 91 HA ILE 91 11.594 2.789 4.538 237 HB ILE 91 HB ILE 91 9.522 4.664 3.359 238 1HG1 ILE 91 HG12 ILE 91 10.703 2.027 2.428 239 2HG1 ILE 91 HG11 ILE 91 9.040 2.301 2.949 240 1HG2 ILE 91 HG22 ILE 91 12.430 4.187 2.774 241 2HG2 ILE 91 HG21 ILE 91 11.335 4.589 1.451 242 3HG2 ILE 91 HG23 ILE 91 11.534 5.706 2.800 243 1HD1 ILE 91 HD12 ILE 91 9.370 4.231 1.009 244 2HD1 ILE 91 HD11 ILE 91 10.312 2.886 0.364 245 3HD1 ILE 91 HD13 ILE 91 8.606 2.663 0.753 246 H SER 92 HN SER 92 9.603 5.546 5.700 247 HA SER 92 HA SER 92 11.759 7.385 5.928 248 1HB SER 92 HB2 SER 92 9.650 7.342 8.052 249 2HB SER 92 HB1 SER 92 10.304 8.710 7.156 250 HG SER 92 HG SER 92 8.709 8.471 5.823 251 H TYR 93 HN TYR 93 10.458 5.049 8.290 252 HA TYR 93 HA TYR 93 12.309 5.561 10.384 253 1HB TYR 93 HB2 TYR 93 10.224 3.780 9.972 254 2HB TYR 93 HB1 TYR 93 11.635 2.724 10.062 255 HD1 TYR 93 HD1 TYR 93 13.310 3.175 12.008 256 HD2 TYR 93 HD2 TYR 93 9.259 4.601 11.948 257 HE1 TYR 93 HE1 TYR 93 13.374 3.463 14.471 258 HE2 TYR 93 HE2 TYR 93 9.323 4.889 14.410 259 HH TYR 93 HH TYR 93 11.602 5.272 16.156 260 H GLY 94 HN GLY 94 12.499 3.258 7.665 261 1HA GLY 94 HA2 GLY 94 15.002 2.100 8.278 262 2HA GLY 94 HA1 GLY 94 14.351 2.258 6.644 263 H ILE 95 HN ILE 95 14.235 5.003 6.349 264 HA ILE 95 HA ILE 95 16.890 5.665 5.614 265 HB ILE 95 HB ILE 95 14.419 7.329 6.106 266 1HG1 ILE 95 HG12 ILE 95 15.551 7.668 3.532 267 2HG1 ILE 95 HG11 ILE 95 15.652 5.945 3.894 268 1HG2 ILE 95 HG21 ILE 95 17.231 8.272 5.555 269 2HG2 ILE 95 HG23 ILE 95 15.838 9.195 4.991 270 3HG2 ILE 95 HG22 ILE 95 16.064 8.907 6.717 271 1HD1 ILE 95 HD12 ILE 95 13.114 6.743 4.803 272 2HD1 ILE 95 HD11 ILE 95 13.319 7.538 3.242 273 3HD1 ILE 95 HD13 ILE 95 13.466 5.785 3.366 274 H ARG 96 HN ARG 96 15.063 6.614 8.566 275 HA ARG 96 HA ARG 96 17.131 8.169 9.750 276 1HB ARG 96 HB2 ARG 96 15.470 6.352 11.468 277 2HB ARG 96 HB1 ARG 96 15.947 8.023 11.756 278 1HG ARG 96 HG2 ARG 96 13.821 7.004 9.869 279 2HG ARG 96 HG1 ARG 96 13.617 8.080 11.246 280 1HD ARG 96 HD2 ARG 96 15.111 9.739 10.055 281 2HD ARG 96 HD1 ARG 96 15.008 8.701 8.631 282 HE ARG 96 HE ARG 96 12.364 9.110 9.320 283 1HH1 ARG 96 HH21 ARG 96 14.577 10.501 7.336 284 2HH1 ARG 96 HH22 ARG 96 13.893 12.092 7.334 285 1HH2 ARG 96 HH11 ARG 96 11.694 11.438 9.932 286 2HH2 ARG 96 HH12 ARG 96 12.263 12.622 8.803 287 H ARG 97 HN ARG 97 16.461 4.676 10.014 288 HA ARG 97 HA ARG 97 18.595 4.014 11.747 289 1HB ARG 97 HB2 ARG 97 16.828 2.410 11.169 290 2HB ARG 97 HB1 ARG 97 17.395 2.366 9.499 291 1HG ARG 97 HG2 ARG 97 19.602 1.868 11.290 292 2HG ARG 97 HG1 ARG 97 18.280 0.757 11.646 293 1HD ARG 97 HD2 ARG 97 19.288 1.253 8.837 294 2HD ARG 97 HD1 ARG 97 19.917 -0.034 9.862 295 HE ARG 97 HE ARG 97 17.703 -0.444 8.332 296 1HH1 ARG 97 HH11 ARG 97 18.691 -1.640 11.182 297 2HH1 ARG 97 HH12 ARG 97 17.127 -1.922 11.870 298 1HH2 ARG 97 HH21 ARG 97 15.440 -0.109 9.443 299 2HH2 ARG 97 HH22 ARG 97 15.286 -1.056 10.885 300 H LEU 98 HN LEU 98 18.553 4.110 8.172 301 HA LEU 98 HA LEU 98 21.224 3.262 7.759 302 1HB LEU 98 HB2 LEU 98 19.135 4.484 6.201 303 2HB LEU 98 HB1 LEU 98 20.661 5.299 5.859 304 HG LEU 98 HG LEU 98 20.604 2.301 5.969 305 1HD1 LEU 98 HD12 LEU 98 19.558 4.062 3.748 306 2HD1 LEU 98 HD11 LEU 98 20.195 2.449 3.429 307 3HD1 LEU 98 HD13 LEU 98 18.790 2.650 4.477 308 1HD2 LEU 98 HD22 LEU 98 22.200 4.448 4.557 309 2HD2 LEU 98 HD21 LEU 98 22.773 3.261 5.728 310 3HD2 LEU 98 HD23 LEU 98 22.316 2.748 4.104 311 H ILE 99 HN ILE 99 19.927 6.546 8.245 312 HA ILE 99 HA ILE 99 22.570 7.770 8.255 313 HB ILE 99 HB ILE 99 21.343 9.780 9.030 314 1HG1 ILE 99 HG12 ILE 99 18.915 7.963 9.027 315 2HG1 ILE 99 HG11 ILE 99 19.759 8.466 10.492 316 1HG2 ILE 99 HG22 ILE 99 20.437 8.147 6.699 317 2HG2 ILE 99 HG21 ILE 99 19.491 9.580 7.104 318 3HG2 ILE 99 HG23 ILE 99 21.207 9.735 6.725 319 1HD1 ILE 99 HD11 ILE 99 18.511 10.346 8.464 320 2HD1 ILE 99 HD13 ILE 99 17.809 9.923 10.025 321 3HD1 ILE 99 HD12 ILE 99 19.322 10.826 9.955 322 H LYS 100 HN LYS 100 20.708 6.008 10.508 323 HA LYS 100 HA LYS 100 21.990 7.258 12.861 324 1HB LYS 100 HB2 LYS 100 19.598 6.603 12.963 325 2HB LYS 100 HB1 LYS 100 20.061 4.923 12.681 326 1HG LYS 100 HG2 LYS 100 21.705 5.681 14.782 327 2HG LYS 100 HG1 LYS 100 20.182 6.494 15.149 328 1HD LYS 100 HD2 LYS 100 19.144 4.146 14.498 329 2HD LYS 100 HD1 LYS 100 20.756 3.563 14.915 330 1HE LYS 100 HE2 LYS 100 19.371 5.450 16.787 331 2HE LYS 100 HE1 LYS 100 18.893 3.751 16.778 332 1HZ LYS 100 HZ2 LYS 100 21.486 3.432 16.837 333 2HZ LYS 100 HZ1 LYS 100 21.433 4.967 17.563 334 3HZ LYS 100 HZ3 LYS 100 20.592 3.671 18.262 335 H LYS 101 HN LYS 101 24.185 6.608 12.270 336 HA LYS 101 HA LYS 101 25.273 4.483 13.641 337 1HB LYS 101 HB2 LYS 101 25.675 2.793 11.757 338 2HB LYS 101 HB1 LYS 101 24.053 2.822 12.440 339 1HG LYS 101 HG2 LYS 101 23.142 3.891 10.567 340 2HG LYS 101 HG1 LYS 101 24.701 4.543 10.060 341 1HD LYS 101 HD2 LYS 101 24.293 1.568 10.138 342 2HD LYS 101 HD1 LYS 101 23.686 2.498 8.768 343 1HE LYS 101 HE2 LYS 101 25.790 3.027 8.015 344 2HE LYS 101 HE1 LYS 101 26.473 3.069 9.641 345 1HZ LYS 101 HZ3 LYS 101 25.586 0.459 9.036 346 2HZ LYS 101 HZ2 LYS 101 26.621 1.002 7.803 347 3HZ LYS 101 HZ1 LYS 101 27.151 0.989 9.416 348 1H VAL 62 HT2 VAL 62 -30.510 -17.807 -5.802 349 2H VAL 62 HT1 VAL 62 -30.818 -16.558 -6.912 350 3H VAL 62 HT3 VAL 62 -30.952 -16.263 -5.246 351 HA VAL 62 HA VAL 62 -33.122 -16.631 -5.515 352 HB VAL 62 HB VAL 62 -32.923 -16.461 -7.949 353 1HG1 VAL 62 HG12 VAL 62 -31.074 -18.289 -7.955 354 2HG1 VAL 62 HG11 VAL 62 -32.414 -19.431 -8.060 355 3HG1 VAL 62 HG13 VAL 62 -32.182 -18.224 -9.326 356 1HG2 VAL 62 HG21 VAL 62 -34.616 -18.627 -6.745 357 2HG2 VAL 62 HG23 VAL 62 -35.110 -17.085 -7.444 358 3HG2 VAL 62 HG22 VAL 62 -34.625 -18.416 -8.495 359 H GLN 63 HN GLN 63 -32.374 -17.977 -3.570 360 HA GLN 63 HA GLN 63 -33.604 -20.603 -3.747 361 1HB GLN 63 HB2 GLN 63 -31.463 -21.756 -2.886 362 2HB GLN 63 HB1 GLN 63 -31.531 -21.374 -4.607 363 1HG GLN 63 HG2 GLN 63 -29.630 -20.196 -4.364 364 2HG GLN 63 HG1 GLN 63 -30.516 -19.062 -3.343 365 1HE2 GLN 63 HE22 GLN 63 -27.702 -21.328 -1.653 366 2HE2 GLN 63 HE21 GLN 63 -27.843 -21.085 -3.328 367 H LEU 64 HN LEU 64 -34.197 -21.325 -1.683 368 HA LEU 64 HA LEU 64 -33.642 -19.403 0.517 369 1HB LEU 64 HB2 LEU 64 -35.914 -20.987 -0.281 370 2HB LEU 64 HB1 LEU 64 -35.449 -21.408 1.368 371 HG LEU 64 HG LEU 64 -35.385 -18.519 0.821 372 1HD1 LEU 64 HD11 LEU 64 -38.013 -20.034 0.767 373 2HD1 LEU 64 HD13 LEU 64 -37.853 -18.282 0.891 374 3HD1 LEU 64 HD12 LEU 64 -37.321 -19.115 -0.570 375 1HD2 LEU 64 HD23 LEU 64 -35.215 -19.837 3.046 376 2HD2 LEU 64 HD22 LEU 64 -36.249 -18.409 3.023 377 3HD2 LEU 64 HD21 LEU 64 -36.964 -20.018 2.913 378 H ALA 65 HN ALA 65 -31.559 -21.256 -0.273 379 HA ALA 65 HA ALA 65 -31.553 -23.104 2.075 380 1HB ALA 65 HB3 ALA 65 -31.094 -23.680 -0.593 381 2HB ALA 65 HB2 ALA 65 -29.464 -23.523 0.060 382 3HB ALA 65 HB1 ALA 65 -30.589 -24.682 0.767 383 H HIS 66 HN HIS 66 -30.870 -20.264 2.219 384 HA HIS 66 HA HIS 66 -29.234 -19.023 3.376 385 1HB HIS 66 HB2 HIS 66 -28.732 -21.597 4.182 386 2HB HIS 66 HB1 HIS 66 -27.201 -21.161 3.421 387 HD1 HIS 66 HD1 HIS 66 -25.646 -20.305 5.162 388 HD2 HIS 66 HD2 HIS 66 -29.555 -19.030 5.850 389 HE1 HIS 66 HE1 HIS 66 -25.562 -18.807 7.204 390 H HIS 67 HN HIS 67 -26.334 -19.493 2.986 391 HA HIS 67 HA HIS 67 -26.019 -19.191 0.052 392 1HB HIS 67 HB2 HIS 67 -24.836 -17.074 0.270 393 2HB HIS 67 HB1 HIS 67 -26.430 -16.908 1.006 394 HD1 HIS 67 HD1 HIS 67 -24.551 -14.937 2.098 395 HD2 HIS 67 HD2 HIS 67 -24.656 -18.823 3.606 396 HE1 HIS 67 HE1 HIS 67 -23.532 -14.834 4.415 397 H PHE 68 HN PHE 68 -23.289 -18.087 0.504 398 HA PHE 68 HA PHE 68 -22.023 -20.552 1.636 399 1HB PHE 68 HB2 PHE 68 -20.139 -20.015 -0.006 400 2HB PHE 68 HB1 PHE 68 -21.642 -20.599 -0.721 401 HD1 PHE 68 HD1 PHE 68 -23.167 -19.063 -1.897 402 HD2 PHE 68 HD2 PHE 68 -19.426 -17.709 -0.277 403 HE1 PHE 68 HE1 PHE 68 -23.337 -16.985 -3.241 404 HE2 PHE 68 HE2 PHE 68 -19.596 -15.632 -1.621 405 HZ PHE 68 HZ PHE 68 -21.551 -15.270 -3.103 406 H SER 69 HN SER 69 -19.617 -20.045 2.223 407 HA SER 69 HA SER 69 -19.583 -18.080 4.277 408 1HB SER 69 HB2 SER 69 -17.212 -19.273 2.812 409 2HB SER 69 HB1 SER 69 -17.170 -18.494 4.391 410 HG SER 69 HG SER 69 -18.879 -20.169 4.887 411 H GLU 70 HN GLU 70 -17.239 -16.608 3.953 412 HA GLU 70 HA GLU 70 -17.370 -15.127 1.424 413 1HB GLU 70 HB2 GLU 70 -18.232 -13.857 4.039 414 2HB GLU 70 HB1 GLU 70 -17.895 -12.960 2.557 415 1HG GLU 70 HG2 GLU 70 -19.626 -14.422 1.408 416 2HG GLU 70 HG1 GLU 70 -20.067 -15.020 3.008 417 HA PRO 71 HA PRO 71 -13.162 -15.244 3.138 418 1HB PRO 71 HB2 PRO 71 -12.226 -14.469 0.539 419 2HB PRO 71 HB1 PRO 71 -12.116 -16.063 1.297 420 1HG PRO 71 HG2 PRO 71 -13.834 -15.252 -0.882 421 2HG PRO 71 HG1 PRO 71 -13.693 -16.854 -0.145 422 1HD PRO 71 HD2 PRO 71 -15.863 -14.978 0.121 423 2HD PRO 71 HD1 PRO 71 -15.709 -16.577 0.877 424 H GLU 72 HN GLU 72 -14.496 -13.078 3.950 425 HA GLU 72 HA GLU 72 -13.837 -10.612 2.606 426 1HB GLU 72 HB2 GLU 72 -14.903 -11.360 5.306 427 2HB GLU 72 HB1 GLU 72 -14.306 -9.719 5.055 428 1HG GLU 72 HG2 GLU 72 -15.780 -9.701 2.940 429 2HG GLU 72 HG1 GLU 72 -16.558 -11.128 3.623 430 H ILE 73 HN ILE 73 -12.665 -11.674 5.826 431 HA ILE 73 HA ILE 73 -10.474 -9.939 5.953 432 HB ILE 73 HB ILE 73 -11.003 -11.069 7.938 433 1HG1 ILE 73 HG12 ILE 73 -8.490 -11.042 7.233 434 2HG1 ILE 73 HG11 ILE 73 -8.970 -12.000 8.630 435 1HG2 ILE 73 HG22 ILE 73 -11.323 -13.377 6.116 436 2HG2 ILE 73 HG21 ILE 73 -10.706 -13.768 7.722 437 3HG2 ILE 73 HG23 ILE 73 -12.250 -12.932 7.549 438 1HD1 ILE 73 HD11 ILE 73 -9.202 -13.492 6.125 439 2HD1 ILE 73 HD13 ILE 73 -7.555 -12.940 6.430 440 3HD1 ILE 73 HD12 ILE 73 -8.384 -13.940 7.621 441 H THR 74 HN THR 74 -10.782 -13.056 4.322 442 HA THR 74 HA THR 74 -8.008 -13.453 3.753 443 HB THR 74 HB THR 74 -9.393 -14.504 1.573 444 HG1 THR 74 HG1 THR 74 -10.961 -14.924 3.874 445 1HG2 THR 74 HG23 THR 74 -7.778 -15.421 3.531 446 2HG2 THR 74 HG22 THR 74 -9.311 -16.109 4.070 447 3HG2 THR 74 HG21 THR 74 -8.689 -16.490 2.463 448 H LEU 75 HN LEU 75 -10.592 -11.867 1.856 449 HA LEU 75 HA LEU 75 -8.791 -11.083 -0.275 450 1HB LEU 75 HB2 LEU 75 -11.372 -11.294 -0.344 451 2HB LEU 75 HB1 LEU 75 -11.385 -9.695 0.398 452 HG LEU 75 HG LEU 75 -9.991 -10.397 -2.205 453 1HD1 LEU 75 HD11 LEU 75 -12.707 -10.011 -1.748 454 2HD1 LEU 75 HD13 LEU 75 -12.144 -8.416 -2.253 455 3HD1 LEU 75 HD12 LEU 75 -11.885 -9.816 -3.297 456 1HD2 LEU 75 HD22 LEU 75 -10.179 -7.927 -0.510 457 2HD2 LEU 75 HD21 LEU 75 -8.792 -8.570 -1.386 458 3HD2 LEU 75 HD23 LEU 75 -10.087 -7.761 -2.263 459 H ILE 76 HN ILE 76 -10.228 -9.331 2.496 460 HA ILE 76 HA ILE 76 -9.025 -6.822 1.964 461 HB ILE 76 HB ILE 76 -9.664 -8.131 4.628 462 1HG1 ILE 76 HG12 ILE 76 -11.226 -6.023 3.126 463 2HG1 ILE 76 HG11 ILE 76 -11.510 -7.746 2.882 464 1HG2 ILE 76 HG23 ILE 76 -8.012 -6.149 4.611 465 2HG2 ILE 76 HG22 ILE 76 -9.385 -5.175 4.081 466 3HG2 ILE 76 HG21 ILE 76 -9.438 -6.000 5.639 467 1HD1 ILE 76 HD13 ILE 76 -11.386 -7.081 5.713 468 2HD1 ILE 76 HD12 ILE 76 -12.636 -6.152 4.885 469 3HD1 ILE 76 HD11 ILE 76 -12.656 -7.914 4.817 470 H ILE 77 HN ILE 77 -7.800 -9.561 3.914 471 HA ILE 77 HA ILE 77 -5.325 -8.370 4.653 472 HB ILE 77 HB ILE 77 -6.135 -11.248 4.183 473 1HG1 ILE 77 HG12 ILE 77 -7.045 -9.871 6.133 474 2HG1 ILE 77 HG11 ILE 77 -6.213 -11.361 6.577 475 1HG2 ILE 77 HG22 ILE 77 -3.459 -10.061 4.676 476 2HG2 ILE 77 HG21 ILE 77 -3.887 -11.442 5.685 477 3HG2 ILE 77 HG23 ILE 77 -3.888 -11.599 3.928 478 1HD1 ILE 77 HD12 ILE 77 -4.414 -9.052 6.345 479 2HD1 ILE 77 HD11 ILE 77 -5.639 -8.861 7.600 480 3HD1 ILE 77 HD13 ILE 77 -4.547 -10.247 7.635 481 H PHE 78 HN PHE 78 -6.174 -10.387 1.852 482 HA PHE 78 HA PHE 78 -3.622 -10.367 0.614 483 1HB PHE 78 HB2 PHE 78 -4.752 -11.753 -0.753 484 2HB PHE 78 HB1 PHE 78 -6.287 -11.216 -0.088 485 HD1 PHE 78 HD1 PHE 78 -3.628 -10.125 -2.501 486 HD2 PHE 78 HD2 PHE 78 -7.791 -10.105 -1.460 487 HE1 PHE 78 HE1 PHE 78 -4.154 -8.974 -4.635 488 HE2 PHE 78 HE2 PHE 78 -8.322 -8.953 -3.593 489 HZ PHE 78 HZ PHE 78 -6.502 -8.387 -5.182 490 H GLY 79 HN GLY 79 -6.361 -8.099 0.213 491 1HA GLY 79 HA2 GLY 79 -5.174 -6.437 -1.745 492 2HA GLY 79 HA1 GLY 79 -6.357 -5.878 -0.561 493 H VAL 80 HN VAL 80 -4.971 -6.185 1.831 494 HA VAL 80 HA VAL 80 -3.337 -3.866 1.901 495 HB VAL 80 HB VAL 80 -3.493 -6.254 3.753 496 1HG1 VAL 80 HG13 VAL 80 -1.603 -4.013 3.684 497 2HG1 VAL 80 HG12 VAL 80 -2.485 -4.119 5.207 498 3HG1 VAL 80 HG11 VAL 80 -1.547 -5.498 4.632 499 1HG2 VAL 80 HG21 VAL 80 -5.359 -4.354 3.291 500 2HG2 VAL 80 HG23 VAL 80 -5.102 -5.059 4.888 501 3HG2 VAL 80 HG22 VAL 80 -4.379 -3.502 4.485 502 H MET 81 HN MET 81 -2.412 -7.311 1.764 503 HA MET 81 HA MET 81 0.406 -6.928 1.675 504 1HB MET 81 HB2 MET 81 -1.358 -9.063 0.440 505 2HB MET 81 HB1 MET 81 0.404 -9.139 0.434 506 1HG MET 81 HG2 MET 81 -1.090 -8.696 3.009 507 2HG MET 81 HG1 MET 81 -0.881 -10.325 2.367 508 1HE MET 81 HE2 MET 81 0.654 -11.667 2.684 509 2HE MET 81 HE1 MET 81 1.987 -11.158 1.649 510 3HE MET 81 HE3 MET 81 2.269 -11.486 3.365 511 H ALA 82 HN ALA 82 -1.995 -7.121 -0.939 512 HA ALA 82 HA ALA 82 -0.232 -6.801 -3.121 513 1HB ALA 82 HB2 ALA 82 -3.119 -6.598 -2.684 514 2HB ALA 82 HB1 ALA 82 -2.542 -5.473 -3.918 515 3HB ALA 82 HB3 ALA 82 -2.232 -7.200 -4.082 516 H GLY 83 HN GLY 83 -1.913 -4.264 -1.198 517 1HA GLY 83 HA2 GLY 83 -0.993 -2.052 -2.702 518 2HA GLY 83 HA1 GLY 83 -1.366 -1.994 -0.977 519 H VAL 84 HN VAL 84 0.545 -3.694 0.095 520 HA VAL 84 HA VAL 84 2.858 -2.045 0.212 521 HB VAL 84 HB VAL 84 2.673 -5.027 0.745 522 1HG1 VAL 84 HG12 VAL 84 4.798 -2.999 1.053 523 2HG1 VAL 84 HG11 VAL 84 4.508 -3.983 2.487 524 3HG1 VAL 84 HG13 VAL 84 4.923 -4.756 0.956 525 1HG2 VAL 84 HG23 VAL 84 1.790 -2.606 2.219 526 2HG2 VAL 84 HG22 VAL 84 1.176 -4.257 2.300 527 3HG2 VAL 84 HG21 VAL 84 2.643 -3.816 3.175 528 H ILE 85 HN ILE 85 2.299 -5.045 -1.660 529 HA ILE 85 HA ILE 85 4.831 -5.182 -2.921 530 HB ILE 85 HB ILE 85 2.086 -6.007 -3.903 531 1HG1 ILE 85 HG12 ILE 85 4.412 -7.611 -2.793 532 2HG1 ILE 85 HG11 ILE 85 2.991 -7.134 -1.864 533 1HG2 ILE 85 HG23 ILE 85 4.841 -6.474 -5.069 534 2HG2 ILE 85 HG22 ILE 85 3.447 -7.476 -5.476 535 3HG2 ILE 85 HG21 ILE 85 3.440 -5.756 -5.867 536 1HD1 ILE 85 HD11 ILE 85 1.635 -8.277 -3.763 537 2HD1 ILE 85 HD13 ILE 85 3.163 -9.052 -4.181 538 3HD1 ILE 85 HD12 ILE 85 2.450 -9.308 -2.588 539 H GLY 86 HN GLY 86 1.855 -3.525 -4.006 540 1HA GLY 86 HA2 GLY 86 2.846 -2.523 -6.455 541 2HA GLY 86 HA1 GLY 86 1.579 -1.745 -5.504 542 H THR 87 HN THR 87 2.950 -1.040 -3.201 543 HA THR 87 HA THR 87 4.229 1.372 -3.947 544 HB THR 87 HB THR 87 4.662 -0.205 -1.391 545 HG1 THR 87 HG1 THR 87 2.498 0.148 -1.637 546 1HG2 THR 87 HG22 THR 87 5.646 2.330 -2.374 547 2HG2 THR 87 HG21 THR 87 4.644 2.575 -0.943 548 3HG2 THR 87 HG23 THR 87 6.037 1.496 -0.870 549 H ILE 88 HN ILE 88 5.686 -1.757 -2.982 550 HA ILE 88 HA ILE 88 8.400 -0.955 -3.207 551 HB ILE 88 HB ILE 88 7.099 -3.635 -3.776 552 1HG1 ILE 88 HG12 ILE 88 8.618 -2.573 -1.371 553 2HG1 ILE 88 HG11 ILE 88 6.867 -2.772 -1.460 554 1HG2 ILE 88 HG23 ILE 88 9.942 -2.714 -3.840 555 2HG2 ILE 88 HG22 ILE 88 9.604 -4.303 -3.153 556 3HG2 ILE 88 HG21 ILE 88 9.140 -3.945 -4.816 557 1HD1 ILE 88 HD13 ILE 88 8.802 -5.055 -1.917 558 2HD1 ILE 88 HD12 ILE 88 8.120 -4.680 -0.334 559 3HD1 ILE 88 HD11 ILE 88 7.059 -5.154 -1.661 560 H LEU 89 HN LEU 89 6.214 -2.327 -5.672 561 HA LEU 89 HA LEU 89 8.055 -2.330 -7.827 562 1HB LEU 89 HB2 LEU 89 6.242 -3.281 -8.771 563 2HB LEU 89 HB1 LEU 89 5.226 -2.719 -7.450 564 HG LEU 89 HG LEU 89 5.040 -0.501 -8.626 565 1HD1 LEU 89 HD11 LEU 89 7.175 -1.461 -10.109 566 2HD1 LEU 89 HD13 LEU 89 5.815 -1.635 -11.218 567 3HD1 LEU 89 HD12 LEU 89 6.191 -0.057 -10.526 568 1HD2 LEU 89 HD23 LEU 89 4.135 -3.012 -10.069 569 2HD2 LEU 89 HD22 LEU 89 3.233 -2.091 -8.866 570 3HD2 LEU 89 HD21 LEU 89 3.540 -1.397 -10.458 571 H LEU 90 HN LEU 90 5.812 0.223 -6.741 572 HA LEU 90 HA LEU 90 6.434 2.149 -8.735 573 1HB LEU 90 HB2 LEU 90 4.719 2.167 -6.672 574 2HB LEU 90 HB1 LEU 90 6.019 3.103 -5.933 575 HG LEU 90 HG LEU 90 4.492 4.629 -7.058 576 1HD1 LEU 90 HD12 LEU 90 7.145 4.717 -7.305 577 2HD1 LEU 90 HD11 LEU 90 6.755 4.484 -9.008 578 3HD1 LEU 90 HD13 LEU 90 6.112 5.878 -8.139 579 1HD2 LEU 90 HD21 LEU 90 4.106 2.542 -8.822 580 2HD2 LEU 90 HD23 LEU 90 3.536 4.192 -9.072 581 3HD2 LEU 90 HD22 LEU 90 5.064 3.670 -9.781 582 H ILE 91 HN ILE 91 7.980 1.600 -5.557 583 HA ILE 91 HA ILE 91 9.901 3.681 -5.729 584 HB ILE 91 HB ILE 91 10.253 0.930 -4.488 585 1HG1 ILE 91 HG12 ILE 91 9.323 3.507 -3.188 586 2HG1 ILE 91 HG11 ILE 91 8.221 2.245 -3.738 587 1HG2 ILE 91 HG22 ILE 91 11.812 3.475 -4.441 588 2HG2 ILE 91 HG21 ILE 91 11.681 2.575 -2.930 589 3HG2 ILE 91 HG23 ILE 91 12.380 1.808 -4.356 590 1HD1 ILE 91 HD11 ILE 91 10.509 1.547 -1.915 591 2HD1 ILE 91 HD13 ILE 91 9.025 2.228 -1.247 592 3HD1 ILE 91 HD12 ILE 91 8.973 0.708 -2.140 593 H SER 92 HN SER 92 10.115 0.290 -6.860 594 HA SER 92 HA SER 92 12.756 0.450 -7.880 595 1HB SER 92 HB2 SER 92 10.337 -1.178 -8.616 596 2HB SER 92 HB1 SER 92 11.780 -1.261 -9.623 597 HG SER 92 HG SER 92 12.062 -1.457 -6.847 598 H TYR 93 HN TYR 93 9.638 1.174 -9.488 599 HA TYR 93 HA TYR 93 10.712 1.955 -11.998 600 1HB TYR 93 HB2 TYR 93 8.189 1.874 -10.883 601 2HB TYR 93 HB1 TYR 93 8.464 3.608 -11.066 602 HD1 TYR 93 HD1 TYR 93 8.524 0.361 -12.899 603 HD2 TYR 93 HD2 TYR 93 8.404 4.644 -13.201 604 HE1 TYR 93 HE1 TYR 93 8.084 0.178 -15.333 605 HE2 TYR 93 HE2 TYR 93 7.965 4.460 -15.634 606 HH TYR 93 HH TYR 93 6.885 1.806 -17.109 607 H GLY 94 HN GLY 94 10.058 3.936 -9.083 608 1HA GLY 94 HA2 GLY 94 10.953 6.406 -10.143 609 2HA GLY 94 HA1 GLY 94 10.997 5.983 -8.431 610 H ILE 95 HN ILE 95 12.778 3.880 -8.387 611 HA ILE 95 HA ILE 95 15.292 5.187 -8.397 612 HB ILE 95 HB ILE 95 14.511 2.272 -8.396 613 1HG1 ILE 95 HG12 ILE 95 16.018 2.954 -6.145 614 2HG1 ILE 95 HG11 ILE 95 15.023 4.380 -6.442 615 1HG2 ILE 95 HG22 ILE 95 17.169 3.477 -8.880 616 2HG2 ILE 95 HG21 ILE 95 17.125 2.266 -7.598 617 3HG2 ILE 95 HG23 ILE 95 16.592 1.846 -9.226 618 1HD1 ILE 95 HD12 ILE 95 13.505 1.914 -6.776 619 2HD1 ILE 95 HD11 ILE 95 14.203 2.041 -5.162 620 3HD1 ILE 95 HD13 ILE 95 13.149 3.317 -5.770 621 H ARG 96 HN ARG 96 13.970 2.931 -10.869 622 HA ARG 96 HA ARG 96 16.242 3.004 -12.568 623 1HB ARG 96 HB2 ARG 96 14.576 2.510 -14.441 624 2HB ARG 96 HB1 ARG 96 14.597 1.372 -13.096 625 1HG ARG 96 HG2 ARG 96 12.654 2.504 -12.098 626 2HG ARG 96 HG1 ARG 96 12.638 3.659 -13.432 627 1HD ARG 96 HD2 ARG 96 10.995 1.895 -13.852 628 2HD ARG 96 HD1 ARG 96 12.308 1.774 -15.023 629 HE ARG 96 HE ARG 96 13.092 0.089 -12.965 630 1HH1 ARG 96 HH21 ARG 96 10.196 -0.347 -12.423 631 2HH1 ARG 96 HH22 ARG 96 9.812 -1.659 -13.488 632 1HH2 ARG 96 HH11 ARG 96 12.648 -1.254 -15.441 633 2HH2 ARG 96 HH12 ARG 96 11.200 -2.172 -15.196 634 H ARG 97 HN ARG 97 13.366 5.112 -12.536 635 HA ARG 97 HA ARG 97 14.092 6.749 -14.727 636 1HB ARG 97 HB2 ARG 97 11.889 6.944 -13.735 637 2HB ARG 97 HB1 ARG 97 12.582 7.446 -12.192 638 1HG ARG 97 HG2 ARG 97 13.600 9.424 -13.407 639 2HG ARG 97 HG1 ARG 97 12.629 8.970 -14.808 640 1HD ARG 97 HD2 ARG 97 11.195 10.474 -13.776 641 2HD ARG 97 HD1 ARG 97 10.661 8.964 -13.036 642 HE ARG 97 HE ARG 97 12.653 9.873 -11.333 643 1HH1 ARG 97 HH11 ARG 97 11.382 12.469 -12.624 644 2HH1 ARG 97 HH12 ARG 97 10.338 12.936 -11.323 645 1HH2 ARG 97 HH21 ARG 97 10.602 9.900 -9.670 646 2HH2 ARG 97 HH22 ARG 97 9.897 11.482 -9.650 647 H LEU 98 HN LEU 98 14.898 7.143 -11.262 648 HA LEU 98 HA LEU 98 16.339 9.568 -11.502 649 1HB LEU 98 HB2 LEU 98 16.064 7.447 -9.535 650 2HB LEU 98 HB1 LEU 98 17.726 8.034 -9.598 651 HG LEU 98 HG LEU 98 15.518 10.052 -9.602 652 1HD1 LEU 98 HD11 LEU 98 15.390 8.111 -7.714 653 2HD1 LEU 98 HD13 LEU 98 16.543 9.203 -6.947 654 3HD1 LEU 98 HD12 LEU 98 14.943 9.788 -7.400 655 1HD2 LEU 98 HD23 LEU 98 18.366 9.984 -9.344 656 2HD2 LEU 98 HD22 LEU 98 17.309 11.395 -9.341 657 3HD2 LEU 98 HD21 LEU 98 17.699 10.583 -7.825 658 H ILE 99 HN ILE 99 17.505 6.202 -11.787 659 HA ILE 99 HA ILE 99 20.211 7.000 -12.463 660 HB ILE 99 HB ILE 99 20.468 4.614 -13.119 661 1HG1 ILE 99 HG12 ILE 99 17.529 4.385 -12.416 662 2HG1 ILE 99 HG11 ILE 99 18.124 4.471 -14.073 663 1HG2 ILE 99 HG21 ILE 99 19.535 5.607 -10.540 664 2HG2 ILE 99 HG23 ILE 99 19.151 3.900 -10.761 665 3HG2 ILE 99 HG22 ILE 99 20.820 4.452 -10.892 666 1HD1 ILE 99 HD13 ILE 99 19.703 2.515 -12.783 667 2HD1 ILE 99 HD12 ILE 99 18.037 2.190 -12.303 668 3HD1 ILE 99 HD11 ILE 99 18.467 2.248 -14.013 669 H LYS 100 HN LYS 100 17.245 6.504 -14.233 670 HA LYS 100 HA LYS 100 18.725 6.835 -16.807 671 1HB LYS 100 HB2 LYS 100 17.071 4.851 -16.316 672 2HB LYS 100 HB1 LYS 100 15.826 6.061 -16.628 673 1HG LYS 100 HG2 LYS 100 18.098 5.823 -18.564 674 2HG LYS 100 HG1 LYS 100 16.822 4.606 -18.610 675 1HD LYS 100 HD2 LYS 100 15.130 6.419 -18.795 676 2HD LYS 100 HD1 LYS 100 16.435 7.606 -18.829 677 1HE LYS 100 HE2 LYS 100 16.669 5.371 -20.766 678 2HE LYS 100 HE1 LYS 100 15.367 6.521 -21.070 679 1HZ LYS 100 HZ3 LYS 100 17.370 8.171 -20.484 680 2HZ LYS 100 HZ2 LYS 100 18.240 6.896 -21.194 681 3HZ LYS 100 HZ1 LYS 100 17.003 7.670 -22.063 682 H LYS 101 HN LYS 101 18.857 9.051 -17.083 683 HA LYS 101 HA LYS 101 18.047 11.178 -17.691 684 1HB LYS 101 HB2 LYS 101 16.065 9.550 -18.544 685 2HB LYS 101 HB1 LYS 101 15.197 10.430 -17.285 686 1HG LYS 101 HG2 LYS 101 14.951 11.632 -19.385 687 2HG LYS 101 HG1 LYS 101 15.984 12.574 -18.309 688 1HD LYS 101 HD2 LYS 101 17.658 10.771 -19.752 689 2HD LYS 101 HD1 LYS 101 16.600 11.568 -20.916 690 1HE LYS 101 HE2 LYS 101 17.961 13.189 -18.782 691 2HE LYS 101 HE1 LYS 101 18.847 12.731 -20.236 692 1HZ LYS 101 HZ1 LYS 101 16.201 14.068 -20.282 693 2HZ LYS 101 HZ3 LYS 101 17.673 14.908 -20.367 694 3HZ LYS 101 HZ2 LYS 101 17.251 13.808 -21.592 No H/Q in entry = 694 Start of MODEL 11 1 1H VAL 62 HT2 VAL 62 -21.556 -18.362 15.753 2 2H VAL 62 HT1 VAL 62 -22.589 -18.941 14.535 3 3H VAL 62 HT3 VAL 62 -20.911 -19.140 14.388 4 HA VAL 62 HA VAL 62 -21.498 -17.366 12.962 5 HB VAL 62 HB VAL 62 -22.751 -15.421 13.813 6 1HG1 VAL 62 HG12 VAL 62 -23.781 -17.828 13.088 7 2HG1 VAL 62 HG11 VAL 62 -24.500 -17.650 14.688 8 3HG1 VAL 62 HG13 VAL 62 -24.776 -16.420 13.455 9 1HG2 VAL 62 HG21 VAL 62 -21.917 -16.039 16.252 10 2HG2 VAL 62 HG23 VAL 62 -23.458 -15.212 16.021 11 3HG2 VAL 62 HG22 VAL 62 -23.424 -16.952 16.304 12 H GLN 63 HN GLN 63 -19.470 -18.141 15.099 13 HA GLN 63 HA GLN 63 -17.632 -17.188 16.232 14 1HB GLN 63 HB2 GLN 63 -16.351 -15.639 14.688 15 2HB GLN 63 HB1 GLN 63 -16.775 -17.207 13.999 16 1HG GLN 63 HG2 GLN 63 -18.657 -16.239 12.809 17 2HG GLN 63 HG1 GLN 63 -18.404 -14.682 13.598 18 1HE2 GLN 63 HE22 GLN 63 -15.682 -13.748 11.507 19 2HE2 GLN 63 HE21 GLN 63 -16.503 -13.412 12.954 20 H LEU 64 HN LEU 64 -18.410 -16.059 18.018 21 HA LEU 64 HA LEU 64 -19.703 -13.488 17.854 22 1HB LEU 64 HB2 LEU 64 -18.467 -15.132 20.033 23 2HB LEU 64 HB1 LEU 64 -18.794 -13.428 20.350 24 HG LEU 64 HG LEU 64 -21.014 -14.812 19.015 25 1HD1 LEU 64 HD11 LEU 64 -19.805 -15.891 21.513 26 2HD1 LEU 64 HD13 LEU 64 -21.560 -15.727 21.488 27 3HD1 LEU 64 HD12 LEU 64 -20.749 -16.717 20.273 28 1HD2 LEU 64 HD22 LEU 64 -20.513 -12.844 21.198 29 2HD2 LEU 64 HD21 LEU 64 -21.657 -12.767 19.858 30 3HD2 LEU 64 HD23 LEU 64 -22.023 -13.753 21.273 31 H ALA 65 HN ALA 65 -16.506 -14.428 17.312 32 HA ALA 65 HA ALA 65 -15.247 -11.986 18.330 33 1HB ALA 65 HB1 ALA 65 -14.336 -14.526 17.642 34 2HB ALA 65 HB3 ALA 65 -13.712 -13.495 16.355 35 3HB ALA 65 HB2 ALA 65 -13.324 -13.137 18.038 36 H HIS 66 HN HIS 66 -16.360 -10.309 17.175 37 HA HIS 66 HA HIS 66 -16.487 -8.758 15.413 38 1HB HIS 66 HB2 HIS 66 -14.650 -10.569 13.839 39 2HB HIS 66 HB1 HIS 66 -14.863 -8.827 13.675 40 HD1 HIS 66 HD1 HIS 66 -12.037 -9.668 14.128 41 HD2 HIS 66 HD2 HIS 66 -14.650 -9.005 17.307 42 HE1 HIS 66 HE1 HIS 66 -10.593 -9.206 16.157 43 H HIS 67 HN HIS 67 -18.354 -8.711 14.282 44 HA HIS 67 HA HIS 67 -19.522 -11.165 13.213 45 1HB HIS 67 HB2 HIS 67 -21.399 -9.715 12.571 46 2HB HIS 67 HB1 HIS 67 -20.909 -9.368 14.230 47 HD1 HIS 67 HD1 HIS 67 -22.343 -7.143 12.770 48 HD2 HIS 67 HD2 HIS 67 -18.204 -7.609 12.611 49 HE1 HIS 67 HE1 HIS 67 -21.389 -4.879 12.149 50 H PHE 68 HN PHE 68 -20.734 -9.918 10.857 51 HA PHE 68 HA PHE 68 -18.449 -10.273 9.017 52 1HB PHE 68 HB2 PHE 68 -21.377 -9.849 8.354 53 2HB PHE 68 HB1 PHE 68 -20.121 -10.451 7.272 54 HD1 PHE 68 HD2 PHE 68 -18.666 -12.442 8.610 55 HD2 PHE 68 HD1 PHE 68 -22.840 -11.522 9.037 56 HE1 PHE 68 HE2 PHE 68 -19.096 -14.755 9.395 57 HE2 PHE 68 HE1 PHE 68 -23.270 -13.835 9.821 58 HZ PHE 68 HZ PHE 68 -21.397 -15.451 10.001 59 H SER 69 HN SER 69 -18.032 -8.693 7.303 60 HA SER 69 HA SER 69 -18.779 -5.924 8.147 61 1HB SER 69 HB2 SER 69 -16.370 -6.330 8.237 62 2HB SER 69 HB1 SER 69 -16.381 -6.919 6.577 63 HG SER 69 HG SER 69 -16.459 -4.348 7.565 64 H GLU 70 HN GLU 70 -20.689 -5.717 6.932 65 HA GLU 70 HA GLU 70 -21.249 -6.573 4.353 66 1HB GLU 70 HB2 GLU 70 -22.188 -4.422 6.093 67 2HB GLU 70 HB1 GLU 70 -22.310 -4.004 4.383 68 1HG GLU 70 HG2 GLU 70 -23.190 -6.619 4.413 69 2HG GLU 70 HG1 GLU 70 -23.826 -5.988 5.933 70 HA PRO 71 HA PRO 71 -19.216 -2.502 2.617 71 1HB PRO 71 HB2 PRO 71 -17.179 -1.771 4.538 72 2HB PRO 71 HB1 PRO 71 -18.534 -0.798 3.948 73 1HG PRO 71 HG2 PRO 71 -18.263 -1.980 6.540 74 2HG PRO 71 HG1 PRO 71 -19.666 -1.113 5.902 75 1HD PRO 71 HD2 PRO 71 -19.385 -3.951 6.386 76 2HD PRO 71 HD1 PRO 71 -20.822 -3.074 5.825 77 H GLU 72 HN GLU 72 -18.547 -4.714 1.690 78 HA GLU 72 HA GLU 72 -16.024 -5.893 2.359 79 1HB GLU 72 HB2 GLU 72 -17.596 -7.185 1.084 80 2HB GLU 72 HB1 GLU 72 -17.694 -5.944 -0.165 81 1HG GLU 72 HG2 GLU 72 -15.362 -6.330 -0.783 82 2HG GLU 72 HG1 GLU 72 -15.188 -7.507 0.520 83 H ILE 73 HN ILE 73 -16.582 -4.455 -0.838 84 HA ILE 73 HA ILE 73 -13.990 -3.822 -1.488 85 HB ILE 73 HB ILE 73 -16.133 -3.444 -2.851 86 1HG1 ILE 73 HG12 ILE 73 -14.834 -1.074 -3.588 87 2HG1 ILE 73 HG11 ILE 73 -13.580 -2.078 -2.860 88 1HG2 ILE 73 HG23 ILE 73 -15.977 -0.790 -1.386 89 2HG2 ILE 73 HG22 ILE 73 -17.023 -1.132 -2.764 90 3HG2 ILE 73 HG21 ILE 73 -17.271 -1.978 -1.237 91 1HD1 ILE 73 HD12 ILE 73 -15.068 -3.853 -4.420 92 2HD1 ILE 73 HD11 ILE 73 -14.935 -2.401 -5.415 93 3HD1 ILE 73 HD13 ILE 73 -13.479 -3.197 -4.815 94 H THR 74 HN THR 74 -16.067 -2.102 0.765 95 HA THR 74 HA THR 74 -14.479 0.269 1.014 96 HB THR 74 HB THR 74 -15.776 -0.519 3.498 97 HG1 THR 74 HG1 THR 74 -17.333 -0.502 1.128 98 1HG2 THR 74 HG22 THR 74 -15.380 1.762 1.864 99 2HG2 THR 74 HG21 THR 74 -17.123 1.536 2.002 100 3HG2 THR 74 HG23 THR 74 -16.137 1.698 3.455 101 H LEU 75 HN LEU 75 -14.497 -2.767 2.912 102 HA LEU 75 HA LEU 75 -12.280 -1.867 4.570 103 1HB LEU 75 HB2 LEU 75 -14.149 -3.765 4.945 104 2HB LEU 75 HB1 LEU 75 -12.855 -4.778 4.305 105 HG LEU 75 HG LEU 75 -12.808 -3.018 6.761 106 1HD1 LEU 75 HD11 LEU 75 -13.185 -5.792 6.261 107 2HD1 LEU 75 HD13 LEU 75 -11.602 -5.613 7.017 108 3HD1 LEU 75 HD12 LEU 75 -13.039 -4.986 7.824 109 1HD2 LEU 75 HD23 LEU 75 -10.509 -4.171 5.167 110 2HD2 LEU 75 HD22 LEU 75 -10.734 -2.504 5.695 111 3HD2 LEU 75 HD21 LEU 75 -10.354 -3.758 6.874 112 H ILE 76 HN ILE 76 -12.537 -4.230 1.863 113 HA ILE 76 HA ILE 76 -9.798 -4.969 1.874 114 HB ILE 76 HB ILE 76 -11.640 -4.681 -0.521 115 1HG1 ILE 76 HG12 ILE 76 -10.999 -7.185 1.049 116 2HG1 ILE 76 HG11 ILE 76 -12.380 -6.160 1.446 117 1HG2 ILE 76 HG22 ILE 76 -9.167 -4.884 -1.002 118 2HG2 ILE 76 HG21 ILE 76 -9.198 -6.439 -0.169 119 3HG2 ILE 76 HG23 ILE 76 -10.144 -6.207 -1.640 120 1HD1 ILE 76 HD12 ILE 76 -12.161 -6.782 -1.417 121 2HD1 ILE 76 HD11 ILE 76 -12.420 -8.201 -0.403 122 3HD1 ILE 76 HD13 ILE 76 -13.564 -6.861 -0.354 123 H ILE 77 HN ILE 77 -11.415 -2.328 0.059 124 HA ILE 77 HA ILE 77 -9.059 -1.316 -1.175 125 HB ILE 77 HB ILE 77 -11.447 -0.624 -1.683 126 1HG1 ILE 77 HG12 ILE 77 -9.634 1.731 -1.114 127 2HG1 ILE 77 HG11 ILE 77 -9.314 0.589 -2.420 128 1HG2 ILE 77 HG22 ILE 77 -12.097 -0.218 0.676 129 2HG2 ILE 77 HG21 ILE 77 -11.007 1.165 0.721 130 3HG2 ILE 77 HG23 ILE 77 -12.408 1.180 -0.349 131 1HD1 ILE 77 HD13 ILE 77 -11.773 1.050 -3.129 132 2HD1 ILE 77 HD12 ILE 77 -11.640 2.478 -2.102 133 3HD1 ILE 77 HD11 ILE 77 -10.560 2.282 -3.482 134 H PHE 78 HN PHE 78 -10.597 -0.457 1.923 135 HA PHE 78 HA PHE 78 -8.732 1.521 2.733 136 1HB PHE 78 HB2 PHE 78 -10.480 -0.399 4.267 137 2HB PHE 78 HB1 PHE 78 -9.384 0.694 5.107 138 HD1 PHE 78 HD1 PHE 78 -10.305 2.232 2.072 139 HD2 PHE 78 HD2 PHE 78 -11.827 1.351 5.993 140 HE1 PHE 78 HE1 PHE 78 -11.955 4.068 1.845 141 HE2 PHE 78 HE2 PHE 78 -13.476 3.188 5.763 142 HZ PHE 78 HZ PHE 78 -13.541 4.545 3.690 143 H GLY 79 HN GLY 79 -8.687 -2.007 3.333 144 1HA GLY 79 HA2 GLY 79 -6.309 -2.073 4.867 145 2HA GLY 79 HA1 GLY 79 -6.876 -3.408 3.865 146 H VAL 80 HN VAL 80 -6.697 -2.336 1.313 147 HA VAL 80 HA VAL 80 -3.946 -2.640 0.691 148 HB VAL 80 HB VAL 80 -6.057 -1.156 -0.903 149 1HG1 VAL 80 HG13 VAL 80 -3.417 -1.137 -1.407 150 2HG1 VAL 80 HG12 VAL 80 -3.822 -2.683 -2.150 151 3HG1 VAL 80 HG11 VAL 80 -4.617 -1.206 -2.697 152 1HG2 VAL 80 HG22 VAL 80 -6.134 -3.787 -0.073 153 2HG2 VAL 80 HG21 VAL 80 -6.920 -3.172 -1.526 154 3HG2 VAL 80 HG23 VAL 80 -5.326 -3.920 -1.634 155 H MET 81 HN MET 81 -5.892 0.335 1.001 156 HA MET 81 HA MET 81 -3.813 2.191 0.466 157 1HB MET 81 HB2 MET 81 -6.270 2.368 2.224 158 2HB MET 81 HB1 MET 81 -5.198 3.741 1.949 159 1HG MET 81 HG2 MET 81 -5.577 2.900 -0.609 160 2HG MET 81 HG1 MET 81 -7.126 2.453 0.106 161 1HE MET 81 HE1 MET 81 -6.978 4.422 -2.205 162 2HE MET 81 HE3 MET 81 -8.484 4.047 -1.354 163 3HE MET 81 HE2 MET 81 -8.047 5.722 -1.682 164 H ALA 82 HN ALA 82 -4.880 0.774 3.556 165 HA ALA 82 HA ALA 82 -3.041 2.115 5.229 166 1HB ALA 82 HB3 ALA 82 -4.794 -0.215 5.453 167 2HB ALA 82 HB2 ALA 82 -3.307 -0.405 6.386 168 3HB ALA 82 HB1 ALA 82 -4.354 0.983 6.668 169 H GLY 83 HN GLY 83 -2.626 -1.016 3.496 170 1HA GLY 83 HA2 GLY 83 -0.047 -1.602 4.503 171 2HA GLY 83 HA1 GLY 83 -0.639 -2.119 2.923 172 H VAL 84 HN VAL 84 -0.976 0.292 1.605 173 HA VAL 84 HA VAL 84 1.654 0.912 0.742 174 HB VAL 84 HB VAL 84 -0.865 2.592 0.578 175 1HG1 VAL 84 HG11 VAL 84 1.690 3.480 0.144 176 2HG1 VAL 84 HG13 VAL 84 1.257 2.878 -1.457 177 3HG1 VAL 84 HG12 VAL 84 0.268 4.115 -0.683 178 1HG2 VAL 84 HG23 VAL 84 -0.180 0.138 -0.616 179 2HG2 VAL 84 HG22 VAL 84 -1.488 1.217 -1.101 180 3HG2 VAL 84 HG21 VAL 84 0.095 1.351 -1.866 181 H ILE 85 HN ILE 85 -0.461 2.714 3.002 182 HA ILE 85 HA ILE 85 1.321 4.843 3.551 183 HB ILE 85 HB ILE 85 -0.618 3.512 5.467 184 1HG1 ILE 85 HG12 ILE 85 -1.056 5.915 3.671 185 2HG1 ILE 85 HG11 ILE 85 -1.551 4.280 3.230 186 1HG2 ILE 85 HG22 ILE 85 1.265 5.356 6.101 187 2HG2 ILE 85 HG21 ILE 85 -0.031 6.421 5.556 188 3HG2 ILE 85 HG23 ILE 85 -0.317 5.289 6.878 189 1HD1 ILE 85 HD13 ILE 85 -2.413 5.653 5.789 190 2HD1 ILE 85 HD12 ILE 85 -3.371 5.662 4.309 191 3HD1 ILE 85 HD11 ILE 85 -3.031 4.139 5.131 192 H GLY 86 HN GLY 86 1.006 1.689 5.220 193 1HA GLY 86 HA2 GLY 86 2.985 2.121 7.190 194 2HA GLY 86 HA1 GLY 86 2.556 0.536 6.546 195 H THR 87 HN THR 87 3.355 0.750 3.898 196 HA THR 87 HA THR 87 6.142 0.256 4.048 197 HB THR 87 HB THR 87 4.382 1.040 1.712 198 HG1 THR 87 HG1 THR 87 4.276 -1.053 2.920 199 1HG2 THR 87 HG22 THR 87 7.313 0.309 1.811 200 2HG2 THR 87 HG21 THR 87 6.343 0.112 0.351 201 3HG2 THR 87 HG23 THR 87 6.571 1.716 1.050 202 H ILE 88 HN ILE 88 4.417 3.206 2.987 203 HA ILE 88 HA ILE 88 6.712 4.762 2.382 204 HB ILE 88 HB ILE 88 4.002 5.577 3.465 205 1HG1 ILE 88 HG12 ILE 88 5.208 5.785 0.688 206 2HG1 ILE 88 HG11 ILE 88 4.122 4.493 1.201 207 1HG2 ILE 88 HG21 ILE 88 6.417 7.109 3.270 208 2HG2 ILE 88 HG23 ILE 88 5.288 7.686 2.045 209 3HG2 ILE 88 HG22 ILE 88 4.809 7.659 3.742 210 1HD1 ILE 88 HD13 ILE 88 3.345 7.391 1.508 211 2HD1 ILE 88 HD12 ILE 88 3.078 6.531 -0.009 212 3HD1 ILE 88 HD11 ILE 88 2.300 5.971 1.471 213 H LEU 89 HN LEU 89 4.939 4.411 5.456 214 HA LEU 89 HA LEU 89 6.531 6.168 7.001 215 1HB LEU 89 HB2 LEU 89 4.968 5.555 8.505 216 2HB LEU 89 HB1 LEU 89 4.458 4.238 7.459 217 HG LEU 89 HG LEU 89 6.331 2.848 8.432 218 1HD1 LEU 89 HD11 LEU 89 6.812 5.422 9.772 219 2HD1 LEU 89 HD13 LEU 89 6.789 4.046 10.873 220 3HD1 LEU 89 HD12 LEU 89 7.911 4.069 9.512 221 1HD2 LEU 89 HD21 LEU 89 3.934 2.784 9.230 222 2HD2 LEU 89 HD23 LEU 89 5.114 2.314 10.455 223 3HD2 LEU 89 HD22 LEU 89 4.388 3.921 10.499 224 H LEU 90 HN LEU 90 6.933 2.669 6.402 225 HA LEU 90 HA LEU 90 9.241 2.280 8.004 226 1HB LEU 90 HB2 LEU 90 8.478 0.966 5.377 227 2HB LEU 90 HB1 LEU 90 9.735 0.375 6.465 228 HG LEU 90 HG LEU 90 6.934 0.868 7.466 229 1HD1 LEU 90 HD11 LEU 90 8.002 -1.483 5.913 230 2HD1 LEU 90 HD13 LEU 90 6.748 -1.713 7.133 231 3HD1 LEU 90 HD12 LEU 90 6.450 -0.661 5.748 232 1HD2 LEU 90 HD21 LEU 90 9.117 0.397 8.874 233 2HD2 LEU 90 HD23 LEU 90 7.605 -0.408 9.298 234 3HD2 LEU 90 HD22 LEU 90 8.835 -1.271 8.374 235 H ILE 91 HN ILE 91 9.030 3.237 4.553 236 HA ILE 91 HA ILE 91 11.828 3.411 4.086 237 HB ILE 91 HB ILE 91 9.586 5.102 2.931 238 1HG1 ILE 91 HG12 ILE 91 11.007 2.705 1.740 239 2HG1 ILE 91 HG11 ILE 91 9.491 2.575 2.634 240 1HG2 ILE 91 HG23 ILE 91 12.516 4.844 2.306 241 2HG2 ILE 91 HG22 ILE 91 11.373 5.190 1.008 242 3HG2 ILE 91 HG21 ILE 91 11.517 6.296 2.373 243 1HD1 ILE 91 HD11 ILE 91 9.119 4.679 0.790 244 2HD1 ILE 91 HD13 ILE 91 9.912 3.385 -0.108 245 3HD1 ILE 91 HD12 ILE 91 8.393 3.072 0.734 246 H SER 92 HN SER 92 9.557 5.914 5.270 247 HA SER 92 HA SER 92 11.479 7.987 5.540 248 1HB SER 92 HB2 SER 92 9.361 7.668 7.634 249 2HB SER 92 HB1 SER 92 9.866 9.117 6.768 250 HG SER 92 HG SER 92 8.210 8.716 5.543 251 H TYR 93 HN TYR 93 10.453 5.473 7.866 252 HA TYR 93 HA TYR 93 12.202 6.200 9.982 253 1HB TYR 93 HB2 TYR 93 10.426 4.519 10.255 254 2HB TYR 93 HB1 TYR 93 11.266 3.436 9.147 255 HD1 TYR 93 HD2 TYR 93 12.463 5.606 11.965 256 HD2 TYR 93 HD1 TYR 93 12.154 1.640 10.345 257 HE1 TYR 93 HE2 TYR 93 13.819 4.732 13.848 258 HE2 TYR 93 HE1 TYR 93 13.510 0.765 12.229 259 HH TYR 93 HH TYR 93 14.203 1.315 14.402 260 H GLY 94 HN GLY 94 12.731 3.940 7.254 261 1HA GLY 94 HA2 GLY 94 15.372 3.168 7.922 262 2HA GLY 94 HA1 GLY 94 14.729 3.200 6.279 263 H ILE 95 HN ILE 95 14.228 5.879 5.898 264 HA ILE 95 HA ILE 95 16.786 6.923 5.231 265 HB ILE 95 HB ILE 95 14.070 8.204 5.572 266 1HG1 ILE 95 HG12 ILE 95 15.223 8.597 3.014 267 2HG1 ILE 95 HG11 ILE 95 15.565 6.925 3.458 268 1HG2 ILE 95 HG21 ILE 95 16.732 9.514 5.307 269 2HG2 ILE 95 HG23 ILE 95 15.440 10.128 4.275 270 3HG2 ILE 95 HG22 ILE 95 15.244 10.126 6.028 271 1HD1 ILE 95 HD12 ILE 95 12.893 7.442 4.253 272 2HD1 ILE 95 HD11 ILE 95 13.068 8.082 2.619 273 3HD1 ILE 95 HD13 ILE 95 13.441 6.389 2.948 274 H ARG 96 HN ARG 96 14.679 7.646 8.022 275 HA ARG 96 HA ARG 96 16.356 9.551 9.284 276 1HB ARG 96 HB2 ARG 96 14.403 7.523 10.394 277 2HB ARG 96 HB1 ARG 96 15.254 8.670 11.427 278 1HG ARG 96 HG2 ARG 96 14.375 10.412 9.614 279 2HG ARG 96 HG1 ARG 96 13.139 9.175 9.379 280 1HD ARG 96 HD2 ARG 96 13.740 10.809 11.824 281 2HD ARG 96 HD1 ARG 96 12.181 10.448 11.080 282 HE ARG 96 HE ARG 96 13.091 7.975 11.932 283 1HH1 ARG 96 HH11 ARG 96 11.419 10.610 13.117 284 2HH1 ARG 96 HH12 ARG 96 11.591 10.201 14.791 285 1HH2 ARG 96 HH21 ARG 96 13.845 7.632 14.204 286 2HH2 ARG 96 HH22 ARG 96 12.965 8.515 15.407 287 H ARG 97 HN ARG 97 16.264 6.001 9.648 288 HA ARG 97 HA ARG 97 18.319 5.775 11.576 289 1HB ARG 97 HB2 ARG 97 16.805 3.920 10.730 290 2HB ARG 97 HB1 ARG 97 17.855 3.814 9.316 291 1HG ARG 97 HG2 ARG 97 19.524 2.798 10.476 292 2HG ARG 97 HG1 ARG 97 19.291 3.824 11.890 293 1HD ARG 97 HD2 ARG 97 18.203 2.149 12.918 294 2HD ARG 97 HD1 ARG 97 16.978 2.178 11.652 295 HE ARG 97 HE ARG 97 18.613 0.013 11.982 296 1HH1 ARG 97 HH21 ARG 97 17.012 1.072 9.430 297 2HH1 ARG 97 HH22 ARG 97 18.183 0.686 8.213 298 1HH2 ARG 97 HH11 ARG 97 20.743 0.113 10.482 299 2HH2 ARG 97 HH12 ARG 97 20.295 0.143 8.809 300 H LEU 98 HN LEU 98 18.575 5.759 8.011 301 HA LEU 98 HA LEU 98 21.377 5.381 7.852 302 1HB LEU 98 HB2 LEU 98 19.246 6.301 6.091 303 2HB LEU 98 HB1 LEU 98 20.747 7.179 5.799 304 HG LEU 98 HG LEU 98 20.879 4.206 6.125 305 1HD1 LEU 98 HD11 LEU 98 19.032 5.154 4.392 306 2HD1 LEU 98 HD13 LEU 98 20.467 5.250 3.372 307 3HD1 LEU 98 HD12 LEU 98 19.986 3.705 4.073 308 1HD2 LEU 98 HD23 LEU 98 22.744 6.121 5.675 309 2HD2 LEU 98 HD22 LEU 98 22.914 4.462 5.100 310 3HD2 LEU 98 HD21 LEU 98 22.320 5.718 4.012 311 H ILE 99 HN ILE 99 19.500 8.402 8.086 312 HA ILE 99 HA ILE 99 21.855 10.090 8.199 313 HB ILE 99 HB ILE 99 20.229 11.848 8.895 314 1HG1 ILE 99 HG12 ILE 99 18.239 9.558 8.785 315 2HG1 ILE 99 HG11 ILE 99 18.790 10.344 10.263 316 1HG2 ILE 99 HG23 ILE 99 20.003 10.149 6.496 317 2HG2 ILE 99 HG22 ILE 99 18.571 11.125 6.826 318 3HG2 ILE 99 HG21 ILE 99 20.141 11.902 6.623 319 1HD1 ILE 99 HD11 ILE 99 18.026 12.522 8.860 320 2HD1 ILE 99 HD13 ILE 99 16.919 11.332 8.176 321 3HD1 ILE 99 HD12 ILE 99 16.927 11.632 9.914 322 H LYS 100 HN LYS 100 19.685 8.660 10.618 323 HA LYS 100 HA LYS 100 21.339 9.845 12.787 324 1HB LYS 100 HB2 LYS 100 18.598 8.658 12.616 325 2HB LYS 100 HB1 LYS 100 19.454 8.531 14.151 326 1HG LYS 100 HG2 LYS 100 19.941 11.068 13.827 327 2HG LYS 100 HG1 LYS 100 18.613 11.010 12.667 328 1HD LYS 100 HD2 LYS 100 17.094 10.997 14.328 329 2HD LYS 100 HD1 LYS 100 17.874 9.603 15.080 330 1HE LYS 100 HE2 LYS 100 19.076 12.348 15.367 331 2HE LYS 100 HE1 LYS 100 17.753 11.844 16.417 332 1HZ LYS 100 HZ2 LYS 100 19.593 9.751 16.291 333 2HZ LYS 100 HZ1 LYS 100 20.469 11.174 16.598 334 3HZ LYS 100 HZ3 LYS 100 19.202 10.722 17.630 335 H LYS 101 HN LYS 101 21.085 7.910 14.755 336 HA LYS 101 HA LYS 101 21.656 5.241 13.960 337 1HB LYS 101 HB2 LYS 101 24.098 5.177 14.251 338 2HB LYS 101 HB1 LYS 101 23.666 6.266 12.932 339 1HG LYS 101 HG2 LYS 101 23.963 7.345 15.722 340 2HG LYS 101 HG1 LYS 101 25.396 7.069 14.729 341 1HD LYS 101 HD2 LYS 101 24.187 8.404 12.899 342 2HD LYS 101 HD1 LYS 101 23.062 8.902 14.161 343 1HE LYS 101 HE2 LYS 101 24.555 10.590 14.494 344 2HE LYS 101 HE1 LYS 101 25.451 9.366 15.395 345 1HZ LYS 101 HZ3 LYS 101 25.802 9.994 12.513 346 2HZ LYS 101 HZ2 LYS 101 26.853 10.462 13.764 347 3HZ LYS 101 HZ1 LYS 101 26.664 8.818 13.381 348 1H VAL 62 HT1 VAL 62 -28.945 -26.973 -13.602 349 2H VAL 62 HT3 VAL 62 -30.131 -26.487 -14.712 350 3H VAL 62 HT2 VAL 62 -28.895 -27.544 -15.202 351 HA VAL 62 HA VAL 62 -27.262 -25.891 -15.122 352 HB VAL 62 HB VAL 62 -28.250 -24.082 -16.540 353 1HG1 VAL 62 HG12 VAL 62 -28.865 -26.987 -17.048 354 2HG1 VAL 62 HG11 VAL 62 -29.315 -25.760 -18.232 355 3HG1 VAL 62 HG13 VAL 62 -27.623 -25.974 -17.785 356 1HG2 VAL 62 HG23 VAL 62 -30.564 -24.681 -15.099 357 2HG2 VAL 62 HG22 VAL 62 -30.467 -23.629 -16.510 358 3HG2 VAL 62 HG21 VAL 62 -30.887 -25.330 -16.707 359 H GLN 63 HN GLN 63 -26.429 -24.026 -14.115 360 HA GLN 63 HA GLN 63 -28.196 -22.247 -12.605 361 1HB GLN 63 HB2 GLN 63 -28.082 -23.837 -10.870 362 2HB GLN 63 HB1 GLN 63 -26.425 -24.286 -11.262 363 1HG GLN 63 HG2 GLN 63 -25.700 -21.989 -10.507 364 2HG GLN 63 HG1 GLN 63 -27.352 -21.707 -9.953 365 1HE2 GLN 63 HE22 GLN 63 -25.555 -23.015 -7.004 366 2HE2 GLN 63 HE21 GLN 63 -25.551 -21.594 -7.934 367 H LEU 64 HN LEU 64 -27.172 -20.262 -12.206 368 HA LEU 64 HA LEU 64 -24.249 -20.073 -12.683 369 1HB LEU 64 HB2 LEU 64 -25.125 -17.856 -14.037 370 2HB LEU 64 HB1 LEU 64 -24.626 -19.361 -14.808 371 HG LEU 64 HG LEU 64 -27.455 -19.111 -13.852 372 1HD1 LEU 64 HD12 LEU 64 -26.206 -17.649 -16.153 373 2HD1 LEU 64 HD11 LEU 64 -27.839 -18.290 -16.336 374 3HD1 LEU 64 HD13 LEU 64 -27.488 -17.125 -15.060 375 1HD2 LEU 64 HD23 LEU 64 -25.850 -20.700 -15.788 376 2HD2 LEU 64 HD22 LEU 64 -27.195 -21.203 -14.763 377 3HD2 LEU 64 HD21 LEU 64 -27.507 -20.332 -16.264 378 H ALA 65 HN ALA 65 -25.197 -19.817 -10.207 379 HA ALA 65 HA ALA 65 -25.228 -16.861 -9.785 380 1HB ALA 65 HB2 ALA 65 -27.445 -18.186 -9.341 381 2HB ALA 65 HB1 ALA 65 -26.617 -18.741 -7.886 382 3HB ALA 65 HB3 ALA 65 -26.894 -17.017 -8.141 383 H HIS 66 HN HIS 66 -22.810 -17.606 -9.705 384 HA HIS 66 HA HIS 66 -22.084 -18.848 -7.121 385 1HB HIS 66 HB2 HIS 66 -20.084 -17.760 -9.080 386 2HB HIS 66 HB1 HIS 66 -19.948 -19.157 -8.014 387 HD1 HIS 66 HD1 HIS 66 -21.506 -21.269 -8.690 388 HD2 HIS 66 HD2 HIS 66 -20.982 -18.368 -11.639 389 HE1 HIS 66 HE1 HIS 66 -22.194 -22.341 -10.880 390 H HIS 67 HN HIS 67 -21.901 -17.538 -5.379 391 HA HIS 67 HA HIS 67 -20.863 -14.766 -5.822 392 1HB HIS 67 HB2 HIS 67 -23.182 -15.766 -4.235 393 2HB HIS 67 HB1 HIS 67 -22.233 -14.456 -3.534 394 HD1 HIS 67 HD1 HIS 67 -21.537 -12.741 -5.890 395 HD2 HIS 67 HD2 HIS 67 -25.294 -14.504 -5.497 396 HE1 HIS 67 HE1 HIS 67 -23.121 -11.381 -7.325 397 H PHE 68 HN PHE 68 -18.736 -15.070 -5.200 398 HA PHE 68 HA PHE 68 -18.130 -16.667 -2.795 399 1HB PHE 68 HB2 PHE 68 -16.503 -15.340 -4.946 400 2HB PHE 68 HB1 PHE 68 -15.732 -15.809 -3.430 401 HD1 PHE 68 HD2 PHE 68 -18.482 -17.437 -5.382 402 HD2 PHE 68 HD1 PHE 68 -14.475 -17.740 -3.866 403 HE1 PHE 68 HE2 PHE 68 -18.364 -19.787 -6.168 404 HE2 PHE 68 HE1 PHE 68 -14.355 -20.089 -4.653 405 HZ PHE 68 HZ PHE 68 -16.300 -21.113 -5.803 406 H SER 69 HN SER 69 -19.178 -15.265 -1.220 407 HA SER 69 HA SER 69 -17.746 -12.677 -0.782 408 1HB SER 69 HB2 SER 69 -19.918 -12.542 0.857 409 2HB SER 69 HB1 SER 69 -19.902 -11.932 -0.795 410 HG SER 69 HG SER 69 -20.721 -14.511 0.080 411 H GLU 70 HN GLU 70 -17.586 -15.769 0.194 412 HA GLU 70 HA GLU 70 -17.587 -15.430 3.082 413 1HB GLU 70 HB2 GLU 70 -16.216 -17.689 1.635 414 2HB GLU 70 HB1 GLU 70 -17.019 -17.706 3.203 415 1HG GLU 70 HG2 GLU 70 -18.917 -18.371 2.202 416 2HG GLU 70 HG1 GLU 70 -18.950 -16.854 1.305 417 HA PRO 71 HA PRO 71 -12.797 -15.576 2.330 418 1HB PRO 71 HB2 PRO 71 -12.268 -14.429 -0.244 419 2HB PRO 71 HB1 PRO 71 -11.917 -16.074 0.299 420 1HG PRO 71 HG2 PRO 71 -13.933 -15.244 -1.579 421 2HG PRO 71 HG1 PRO 71 -13.595 -16.883 -1.009 422 1HD PRO 71 HD2 PRO 71 -15.826 -15.175 -0.327 423 2HD PRO 71 HD1 PRO 71 -15.536 -16.851 0.174 424 H GLU 72 HN GLU 72 -14.314 -13.631 3.478 425 HA GLU 72 HA GLU 72 -13.884 -10.997 2.349 426 1HB GLU 72 HB2 GLU 72 -15.482 -12.016 4.354 427 2HB GLU 72 HB1 GLU 72 -14.257 -11.132 5.263 428 1HG GLU 72 HG2 GLU 72 -15.281 -9.200 4.744 429 2HG GLU 72 HG1 GLU 72 -14.980 -9.515 3.035 430 H ILE 73 HN ILE 73 -12.662 -12.210 5.484 431 HA ILE 73 HA ILE 73 -10.561 -10.394 5.760 432 HB ILE 73 HB ILE 73 -11.414 -12.178 7.415 433 1HG1 ILE 73 HG12 ILE 73 -8.748 -12.499 8.028 434 2HG1 ILE 73 HG11 ILE 73 -8.735 -11.068 6.996 435 1HG2 ILE 73 HG22 ILE 73 -11.044 -14.115 5.909 436 2HG2 ILE 73 HG21 ILE 73 -9.309 -13.804 5.952 437 3HG2 ILE 73 HG23 ILE 73 -10.155 -14.288 7.422 438 1HD1 ILE 73 HD12 ILE 73 -10.890 -10.522 8.555 439 2HD1 ILE 73 HD11 ILE 73 -9.901 -11.438 9.694 440 3HD1 ILE 73 HD13 ILE 73 -9.254 -9.982 8.936 441 H THR 74 HN THR 74 -10.649 -13.420 3.921 442 HA THR 74 HA THR 74 -7.863 -13.569 3.321 443 HB THR 74 HB THR 74 -8.515 -15.045 1.495 444 HG1 THR 74 HG1 THR 74 -10.183 -14.174 0.493 445 1HG2 THR 74 HG21 THR 74 -9.469 -15.282 4.195 446 2HG2 THR 74 HG23 THR 74 -10.627 -16.042 3.103 447 3HG2 THR 74 HG22 THR 74 -8.940 -16.558 3.098 448 H LEU 75 HN LEU 75 -10.558 -12.053 1.516 449 HA LEU 75 HA LEU 75 -8.821 -11.038 -0.565 450 1HB LEU 75 HB2 LEU 75 -11.461 -11.330 -0.487 451 2HB LEU 75 HB1 LEU 75 -11.398 -9.670 0.104 452 HG LEU 75 HG LEU 75 -10.377 -10.750 -2.528 453 1HD1 LEU 75 HD11 LEU 75 -12.756 -9.493 -1.721 454 2HD1 LEU 75 HD13 LEU 75 -11.825 -8.235 -2.535 455 3HD1 LEU 75 HD12 LEU 75 -12.201 -9.738 -3.377 456 1HD2 LEU 75 HD21 LEU 75 -9.759 -8.111 -1.164 457 2HD2 LEU 75 HD23 LEU 75 -8.603 -9.332 -1.694 458 3HD2 LEU 75 HD22 LEU 75 -9.509 -8.400 -2.886 459 H ILE 76 HN ILE 76 -10.281 -9.508 2.338 460 HA ILE 76 HA ILE 76 -9.181 -6.930 1.907 461 HB ILE 76 HB ILE 76 -9.663 -8.376 4.534 462 1HG1 ILE 76 HG12 ILE 76 -11.391 -6.291 3.189 463 2HG1 ILE 76 HG11 ILE 76 -11.606 -8.016 2.886 464 1HG2 ILE 76 HG22 ILE 76 -8.112 -6.298 4.490 465 2HG2 ILE 76 HG21 ILE 76 -9.575 -5.391 4.105 466 3HG2 ILE 76 HG23 ILE 76 -9.467 -6.286 5.620 467 1HD1 ILE 76 HD12 ILE 76 -11.520 -6.939 5.701 468 2HD1 ILE 76 HD11 ILE 76 -13.019 -6.930 4.773 469 3HD1 ILE 76 HD13 ILE 76 -12.209 -8.457 5.123 470 H ILE 77 HN ILE 77 -7.814 -9.733 3.665 471 HA ILE 77 HA ILE 77 -5.343 -8.519 4.372 472 HB ILE 77 HB ILE 77 -6.132 -11.382 3.803 473 1HG1 ILE 77 HG12 ILE 77 -5.173 -10.092 6.367 474 2HG1 ILE 77 HG11 ILE 77 -6.871 -10.085 5.891 475 1HG2 ILE 77 HG21 ILE 77 -3.745 -11.088 3.193 476 2HG2 ILE 77 HG23 ILE 77 -3.440 -10.369 4.775 477 3HG2 ILE 77 HG22 ILE 77 -3.924 -12.061 4.653 478 1HD1 ILE 77 HD12 ILE 77 -5.967 -12.738 5.526 479 2HD1 ILE 77 HD11 ILE 77 -5.345 -12.217 7.092 480 3HD1 ILE 77 HD13 ILE 77 -7.076 -12.148 6.764 481 H PHE 78 HN PHE 78 -6.262 -10.382 1.476 482 HA PHE 78 HA PHE 78 -3.767 -10.254 0.139 483 1HB PHE 78 HB2 PHE 78 -6.589 -10.684 -0.692 484 2HB PHE 78 HB1 PHE 78 -5.478 -10.161 -1.957 485 HD1 PHE 78 HD1 PHE 78 -3.118 -11.396 -1.934 486 HD2 PHE 78 HD2 PHE 78 -6.735 -12.972 -0.237 487 HE1 PHE 78 HE1 PHE 78 -2.185 -13.689 -2.075 488 HE2 PHE 78 HE2 PHE 78 -5.802 -15.264 -0.376 489 HZ PHE 78 HZ PHE 78 -3.528 -15.623 -1.297 490 H GLY 79 HN GLY 79 -6.535 -7.984 -0.012 491 1HA GLY 79 HA2 GLY 79 -5.394 -6.179 -1.875 492 2HA GLY 79 HA1 GLY 79 -6.561 -5.715 -0.636 493 H VAL 80 HN VAL 80 -5.149 -6.191 1.705 494 HA VAL 80 HA VAL 80 -3.510 -3.885 1.933 495 HB VAL 80 HB VAL 80 -3.442 -6.398 3.629 496 1HG1 VAL 80 HG12 VAL 80 -1.837 -4.054 3.672 497 2HG1 VAL 80 HG11 VAL 80 -2.952 -3.936 5.034 498 3HG1 VAL 80 HG13 VAL 80 -1.896 -5.340 4.877 499 1HG2 VAL 80 HG22 VAL 80 -5.487 -4.437 3.208 500 2HG2 VAL 80 HG21 VAL 80 -5.484 -5.777 4.355 501 3HG2 VAL 80 HG23 VAL 80 -4.835 -4.208 4.831 502 H MET 81 HN MET 81 -2.605 -7.310 1.545 503 HA MET 81 HA MET 81 0.211 -6.950 1.481 504 1HB MET 81 HB2 MET 81 -1.567 -8.972 0.088 505 2HB MET 81 HB1 MET 81 0.195 -9.068 0.098 506 1HG MET 81 HG2 MET 81 -1.089 -8.672 2.742 507 2HG MET 81 HG1 MET 81 -1.362 -10.240 1.982 508 1HE MET 81 HE3 MET 81 -0.079 -11.710 1.309 509 2HE MET 81 HE2 MET 81 1.657 -11.651 1.012 510 3HE MET 81 HE1 MET 81 1.052 -12.291 2.538 511 H ALA 82 HN ALA 82 -2.179 -6.927 -1.158 512 HA ALA 82 HA ALA 82 -0.382 -6.482 -3.290 513 1HB ALA 82 HB3 ALA 82 -3.267 -6.294 -2.881 514 2HB ALA 82 HB2 ALA 82 -2.677 -5.065 -4.004 515 3HB ALA 82 HB1 ALA 82 -2.365 -6.769 -4.317 516 H GLY 83 HN GLY 83 -2.060 -4.043 -1.226 517 1HA GLY 83 HA2 GLY 83 -1.050 -1.763 -2.574 518 2HA GLY 83 HA1 GLY 83 -1.469 -1.799 -0.859 519 H VAL 84 HN VAL 84 0.346 -3.610 0.162 520 HA VAL 84 HA VAL 84 2.720 -2.069 0.433 521 HB VAL 84 HB VAL 84 2.244 -5.033 0.863 522 1HG1 VAL 84 HG11 VAL 84 4.646 -4.553 0.526 523 2HG1 VAL 84 HG13 VAL 84 4.563 -3.292 1.757 524 3HG1 VAL 84 HG12 VAL 84 4.311 -4.979 2.205 525 1HG2 VAL 84 HG22 VAL 84 1.486 -2.668 2.288 526 2HG2 VAL 84 HG21 VAL 84 1.217 -4.350 2.747 527 3HG2 VAL 84 HG23 VAL 84 2.694 -3.524 3.248 528 H ILE 85 HN ILE 85 2.069 -4.942 -1.588 529 HA ILE 85 HA ILE 85 4.617 -5.145 -2.801 530 HB ILE 85 HB ILE 85 1.876 -5.783 -3.931 531 1HG1 ILE 85 HG12 ILE 85 3.954 -7.679 -2.819 532 2HG1 ILE 85 HG11 ILE 85 2.734 -6.932 -1.788 533 1HG2 ILE 85 HG22 ILE 85 3.818 -5.482 -5.595 534 2HG2 ILE 85 HG21 ILE 85 4.525 -6.912 -4.843 535 3HG2 ILE 85 HG23 ILE 85 2.957 -7.020 -5.645 536 1HD1 ILE 85 HD12 ILE 85 2.059 -8.483 -4.300 537 2HD1 ILE 85 HD11 ILE 85 2.099 -9.212 -2.694 538 3HD1 ILE 85 HD13 ILE 85 0.943 -7.928 -3.052 539 H GLY 86 HN GLY 86 1.743 -3.295 -3.883 540 1HA GLY 86 HA2 GLY 86 2.852 -2.272 -6.272 541 2HA GLY 86 HA1 GLY 86 1.609 -1.451 -5.327 542 H THR 87 HN THR 87 2.952 -0.876 -2.970 543 HA THR 87 HA THR 87 4.435 1.450 -3.642 544 HB THR 87 HB THR 87 4.642 -0.188 -1.095 545 HG1 THR 87 HG1 THR 87 2.505 0.620 -1.900 546 1HG2 THR 87 HG21 THR 87 5.309 2.683 -1.789 547 2HG2 THR 87 HG23 THR 87 5.164 2.098 -0.131 548 3HG2 THR 87 HG22 THR 87 6.409 1.441 -1.193 549 H ILE 88 HN ILE 88 5.555 -1.790 -2.667 550 HA ILE 88 HA ILE 88 8.343 -1.290 -2.795 551 HB ILE 88 HB ILE 88 6.845 -3.836 -3.490 552 1HG1 ILE 88 HG12 ILE 88 8.154 -3.045 -0.877 553 2HG1 ILE 88 HG11 ILE 88 6.439 -2.792 -1.201 554 1HG2 ILE 88 HG22 ILE 88 9.743 -3.235 -2.877 555 2HG2 ILE 88 HG21 ILE 88 9.062 -4.853 -2.703 556 3HG2 ILE 88 HG23 ILE 88 9.081 -4.068 -4.283 557 1HD1 ILE 88 HD12 ILE 88 6.381 -5.298 -1.821 558 2HD1 ILE 88 HD11 ILE 88 7.943 -5.401 -1.010 559 3HD1 ILE 88 HD13 ILE 88 6.514 -4.891 -0.111 560 H LEU 89 HN LEU 89 6.103 -2.420 -5.335 561 HA LEU 89 HA LEU 89 8.018 -2.657 -7.403 562 1HB LEU 89 HB2 LEU 89 6.230 -3.111 -8.737 563 2HB LEU 89 HB1 LEU 89 5.329 -3.101 -7.228 564 HG LEU 89 HG LEU 89 4.983 -0.583 -7.648 565 1HD1 LEU 89 HD12 LEU 89 6.702 -1.186 -9.814 566 2HD1 LEU 89 HD11 LEU 89 5.115 -0.872 -10.516 567 3HD1 LEU 89 HD13 LEU 89 5.886 0.343 -9.494 568 1HD2 LEU 89 HD21 LEU 89 3.354 -2.561 -8.062 569 2HD2 LEU 89 HD23 LEU 89 2.996 -1.019 -8.841 570 3HD2 LEU 89 HD22 LEU 89 3.735 -2.325 -9.768 571 H LEU 90 HN LEU 90 6.076 0.183 -6.431 572 HA LEU 90 HA LEU 90 7.031 1.964 -8.432 573 1HB LEU 90 HB2 LEU 90 5.250 2.269 -6.457 574 2HB LEU 90 HB1 LEU 90 6.638 3.005 -5.654 575 HG LEU 90 HG LEU 90 5.435 4.743 -6.841 576 1HD1 LEU 90 HD12 LEU 90 8.046 4.484 -6.959 577 2HD1 LEU 90 HD11 LEU 90 7.749 4.145 -8.665 578 3HD1 LEU 90 HD13 LEU 90 7.250 5.688 -7.972 579 1HD2 LEU 90 HD21 LEU 90 5.308 2.638 -8.905 580 2HD2 LEU 90 HD23 LEU 90 4.199 3.974 -8.593 581 3HD2 LEU 90 HD22 LEU 90 5.665 4.246 -9.535 582 H ILE 91 HN ILE 91 8.343 1.269 -5.181 583 HA ILE 91 HA ILE 91 10.567 3.033 -5.311 584 HB ILE 91 HB ILE 91 10.466 0.302 -3.988 585 1HG1 ILE 91 HG12 ILE 91 9.722 3.029 -2.878 586 2HG1 ILE 91 HG11 ILE 91 8.561 1.791 -3.358 587 1HG2 ILE 91 HG22 ILE 91 12.655 1.802 -4.300 588 2HG2 ILE 91 HG21 ILE 91 11.972 2.645 -2.911 589 3HG2 ILE 91 HG23 ILE 91 12.345 0.925 -2.802 590 1HD1 ILE 91 HD13 ILE 91 10.697 1.460 -1.230 591 2HD1 ILE 91 HD12 ILE 91 8.980 1.726 -0.921 592 3HD1 ILE 91 HD11 ILE 91 9.517 0.238 -1.702 593 H SER 92 HN SER 92 10.304 -0.386 -6.327 594 HA SER 92 HA SER 92 12.976 -0.666 -7.239 595 1HB SER 92 HB2 SER 92 10.398 -2.025 -7.733 596 2HB SER 92 HB1 SER 92 11.566 -2.168 -9.044 597 HG SER 92 HG SER 92 11.525 -3.603 -6.924 598 H TYR 93 HN TYR 93 10.054 0.438 -8.975 599 HA TYR 93 HA TYR 93 11.292 0.949 -11.476 600 1HB TYR 93 HB2 TYR 93 8.758 1.315 -10.395 601 2HB TYR 93 HB1 TYR 93 9.297 2.959 -10.736 602 HD1 TYR 93 HD1 TYR 93 10.851 2.893 -13.087 603 HD2 TYR 93 HD2 TYR 93 7.449 0.459 -12.118 604 HE1 TYR 93 HE1 TYR 93 10.420 2.536 -15.503 605 HE2 TYR 93 HE2 TYR 93 7.017 0.101 -14.534 606 HH TYR 93 HH TYR 93 7.814 1.755 -16.807 607 H GLY 94 HN GLY 94 10.860 3.138 -8.666 608 1HA GLY 94 HA2 GLY 94 12.118 5.410 -9.803 609 2HA GLY 94 HA1 GLY 94 12.070 5.061 -8.073 610 H ILE 95 HN ILE 95 13.522 2.732 -7.898 611 HA ILE 95 HA ILE 95 16.214 3.647 -7.953 612 HB ILE 95 HB ILE 95 14.941 0.929 -7.716 613 1HG1 ILE 95 HG12 ILE 95 16.899 1.589 -5.732 614 2HG1 ILE 95 HG11 ILE 95 15.864 2.995 -5.976 615 1HG2 ILE 95 HG23 ILE 95 17.761 1.523 -8.459 616 2HG2 ILE 95 HG22 ILE 95 17.520 0.339 -7.174 617 3HG2 ILE 95 HG21 ILE 95 16.799 0.075 -8.762 618 1HD1 ILE 95 HD12 ILE 95 14.001 1.014 -5.953 619 2HD1 ILE 95 HD11 ILE 95 15.203 0.337 -4.855 620 3HD1 ILE 95 HD13 ILE 95 14.489 1.913 -4.516 621 H ARG 96 HN ARG 96 14.473 1.544 -10.256 622 HA ARG 96 HA ARG 96 16.617 1.109 -12.057 623 1HB ARG 96 HB2 ARG 96 14.320 0.013 -12.119 624 2HB ARG 96 HB1 ARG 96 13.729 1.489 -12.886 625 1HG ARG 96 HG2 ARG 96 14.362 0.551 -14.842 626 2HG ARG 96 HG1 ARG 96 16.018 0.894 -14.337 627 1HD ARG 96 HD2 ARG 96 15.709 -1.491 -14.976 628 2HD ARG 96 HD1 ARG 96 16.187 -1.310 -13.289 629 HE ARG 96 HE ARG 96 13.418 -1.357 -13.191 630 1HH1 ARG 96 HH11 ARG 96 14.683 -3.127 -15.636 631 2HH1 ARG 96 HH12 ARG 96 14.326 -4.690 -14.979 632 1HH2 ARG 96 HH21 ARG 96 13.469 -3.472 -11.848 633 2HH2 ARG 96 HH22 ARG 96 13.640 -4.885 -12.835 634 H ARG 97 HN ARG 97 14.188 3.729 -12.029 635 HA ARG 97 HA ARG 97 15.126 5.061 -14.344 636 1HB ARG 97 HB2 ARG 97 13.059 5.553 -12.741 637 2HB ARG 97 HB1 ARG 97 14.192 6.692 -12.010 638 1HG ARG 97 HG2 ARG 97 14.350 6.895 -14.880 639 2HG ARG 97 HG1 ARG 97 12.667 7.049 -14.375 640 1HD ARG 97 HD2 ARG 97 13.106 9.177 -13.787 641 2HD ARG 97 HD1 ARG 97 14.156 8.557 -12.514 642 HE ARG 97 HE ARG 97 15.752 8.497 -14.781 643 1HH1 ARG 97 HH11 ARG 97 15.175 10.551 -12.290 644 2HH1 ARG 97 HH12 ARG 97 15.568 12.017 -13.125 645 1HH2 ARG 97 HH21 ARG 97 15.684 10.518 -16.250 646 2HH2 ARG 97 HH22 ARG 97 15.857 11.997 -15.367 647 H LEU 98 HN LEU 98 16.109 5.479 -10.941 648 HA LEU 98 HA LEU 98 17.990 7.552 -11.346 649 1HB LEU 98 HB2 LEU 98 17.510 5.479 -9.292 650 2HB LEU 98 HB1 LEU 98 19.165 6.087 -9.362 651 HG LEU 98 HG LEU 98 16.848 8.006 -9.393 652 1HD1 LEU 98 HD13 LEU 98 16.949 6.234 -7.390 653 2HD1 LEU 98 HD12 LEU 98 18.186 7.348 -6.807 654 3HD1 LEU 98 HD11 LEU 98 16.549 7.928 -7.108 655 1HD2 LEU 98 HD21 LEU 98 19.522 8.362 -9.710 656 2HD2 LEU 98 HD23 LEU 98 18.462 9.583 -9.004 657 3HD2 LEU 98 HD22 LEU 98 19.396 8.513 -7.957 658 H ILE 99 HN ILE 99 18.483 4.006 -11.479 659 HA ILE 99 HA ILE 99 21.253 4.370 -12.361 660 HB ILE 99 HB ILE 99 21.153 1.851 -12.606 661 1HG1 ILE 99 HG12 ILE 99 18.552 1.894 -11.141 662 2HG1 ILE 99 HG11 ILE 99 18.500 2.165 -12.882 663 1HG2 ILE 99 HG23 ILE 99 21.852 3.007 -10.504 664 2HG2 ILE 99 HG22 ILE 99 20.179 2.949 -9.951 665 3HG2 ILE 99 HG21 ILE 99 21.079 1.453 -10.198 666 1HD1 ILE 99 HD11 ILE 99 19.949 0.083 -13.123 667 2HD1 ILE 99 HD13 ILE 99 19.629 -0.229 -11.418 668 3HD1 ILE 99 HD12 ILE 99 18.298 -0.200 -12.575 669 H LYS 100 HN LYS 100 20.082 1.826 -14.161 670 HA LYS 100 HA LYS 100 19.974 1.601 -16.502 671 1HB LYS 100 HB2 LYS 100 17.675 2.658 -15.527 672 2HB LYS 100 HB1 LYS 100 18.136 3.923 -16.666 673 1HG LYS 100 HG2 LYS 100 18.492 1.240 -17.774 674 2HG LYS 100 HG1 LYS 100 16.820 1.564 -17.314 675 1HD LYS 100 HD2 LYS 100 16.535 2.971 -19.050 676 2HD LYS 100 HD1 LYS 100 18.001 3.864 -18.639 677 1HE LYS 100 HE2 LYS 100 19.303 1.929 -19.690 678 2HE LYS 100 HE1 LYS 100 17.761 1.377 -20.340 679 1HZ LYS 100 HZ2 LYS 100 18.965 4.054 -20.786 680 2HZ LYS 100 HZ1 LYS 100 18.929 2.785 -21.915 681 3HZ LYS 100 HZ3 LYS 100 17.482 3.516 -21.418 682 H LYS 101 HN LYS 101 22.181 2.426 -16.829 683 HA LYS 101 HA LYS 101 22.404 4.393 -18.820 684 1HB LYS 101 HB2 LYS 101 21.865 5.622 -16.377 685 2HB LYS 101 HB1 LYS 101 23.614 5.775 -16.548 686 1HG LYS 101 HG2 LYS 101 23.430 6.937 -18.599 687 2HG LYS 101 HG1 LYS 101 21.755 6.436 -18.831 688 1HD LYS 101 HD2 LYS 101 21.567 7.735 -16.441 689 2HD LYS 101 HD1 LYS 101 22.850 8.661 -17.219 690 1HE LYS 101 HE2 LYS 101 21.161 8.498 -19.296 691 2HE LYS 101 HE1 LYS 101 19.985 8.380 -17.988 692 1HZ LYS 101 HZ3 LYS 101 22.070 10.476 -18.029 693 2HZ LYS 101 HZ2 LYS 101 20.571 10.689 -18.800 694 3HZ LYS 101 HZ1 LYS 101 20.637 10.433 -17.122 No H/Q in entry = 694 Start of MODEL 12 1 1H VAL 62 HT2 VAL 62 -35.302 -12.150 3.250 2 2H VAL 62 HT1 VAL 62 -36.753 -12.945 2.861 3 3H VAL 62 HT3 VAL 62 -36.767 -11.634 3.937 4 HA VAL 62 HA VAL 62 -36.697 -13.140 5.558 5 HB VAL 62 HB VAL 62 -37.313 -14.908 3.954 6 1HG1 VAL 62 HG12 VAL 62 -35.123 -14.304 2.573 7 2HG1 VAL 62 HG11 VAL 62 -34.423 -15.589 3.559 8 3HG1 VAL 62 HG13 VAL 62 -35.806 -15.930 2.519 9 1HG2 VAL 62 HG21 VAL 62 -36.494 -15.367 6.364 10 2HG2 VAL 62 HG23 VAL 62 -36.540 -16.735 5.252 11 3HG2 VAL 62 HG22 VAL 62 -35.006 -15.940 5.609 12 H GLN 63 HN GLN 63 -34.989 -14.294 6.911 13 HA GLN 63 HA GLN 63 -32.407 -12.891 6.528 14 1HB GLN 63 HB2 GLN 63 -33.922 -13.235 8.766 15 2HB GLN 63 HB1 GLN 63 -32.841 -14.616 8.918 16 1HG GLN 63 HG2 GLN 63 -32.036 -12.484 10.039 17 2HG GLN 63 HG1 GLN 63 -30.893 -13.193 8.902 18 1HE2 GLN 63 HE22 GLN 63 -30.843 -10.322 6.868 19 2HE2 GLN 63 HE21 GLN 63 -30.125 -11.800 7.293 20 H LEU 64 HN LEU 64 -30.766 -14.755 7.956 21 HA LEU 64 HA LEU 64 -29.659 -16.831 7.716 22 1HB LEU 64 HB2 LEU 64 -32.222 -17.438 6.812 23 2HB LEU 64 HB1 LEU 64 -31.185 -17.869 5.452 24 HG LEU 64 HG LEU 64 -30.300 -18.696 8.182 25 1HD1 LEU 64 HD11 LEU 64 -32.844 -19.208 7.775 26 2HD1 LEU 64 HD13 LEU 64 -32.229 -20.434 6.667 27 3HD1 LEU 64 HD12 LEU 64 -31.790 -20.489 8.374 28 1HD2 LEU 64 HD21 LEU 64 -30.265 -19.998 5.439 29 2HD2 LEU 64 HD23 LEU 64 -28.922 -19.130 6.183 30 3HD2 LEU 64 HD22 LEU 64 -29.490 -20.645 6.886 31 H ALA 65 HN ALA 65 -29.838 -14.312 5.710 32 HA ALA 65 HA ALA 65 -28.379 -15.503 3.434 33 1HB ALA 65 HB1 ALA 65 -29.280 -12.670 4.031 34 2HB ALA 65 HB3 ALA 65 -28.389 -13.131 2.580 35 3HB ALA 65 HB2 ALA 65 -29.998 -13.791 2.873 36 H HIS 66 HN HIS 66 -27.196 -15.485 6.149 37 HA HIS 66 HA HIS 66 -25.052 -15.156 7.045 38 1HB HIS 66 HB2 HIS 66 -24.367 -13.945 4.353 39 2HB HIS 66 HB1 HIS 66 -23.246 -14.618 5.535 40 HD1 HIS 66 HD1 HIS 66 -25.822 -15.623 2.987 41 HD2 HIS 66 HD2 HIS 66 -23.123 -17.459 5.582 42 HE1 HIS 66 HE1 HIS 66 -25.754 -18.069 2.335 43 H HIS 67 HN HIS 67 -27.214 -12.854 6.451 44 HA HIS 67 HA HIS 67 -27.352 -10.526 6.821 45 1HB HIS 67 HB2 HIS 67 -26.351 -9.900 9.032 46 2HB HIS 67 HB1 HIS 67 -27.320 -11.373 9.097 47 HD1 HIS 67 HD1 HIS 67 -23.810 -10.120 9.379 48 HD2 HIS 67 HD2 HIS 67 -25.798 -13.784 9.421 49 HE1 HIS 67 HE1 HIS 67 -22.139 -11.834 10.209 50 H PHE 68 HN PHE 68 -26.301 -9.515 5.090 51 HA PHE 68 HA PHE 68 -23.626 -9.408 4.418 52 1HB PHE 68 HB2 PHE 68 -25.876 -7.972 3.696 53 2HB PHE 68 HB1 PHE 68 -24.833 -6.731 4.391 54 HD1 PHE 68 HD2 PHE 68 -24.255 -9.823 2.332 55 HD2 PHE 68 HD1 PHE 68 -23.604 -5.601 2.778 56 HE1 PHE 68 HE2 PHE 68 -22.879 -9.817 0.268 57 HE2 PHE 68 HE1 PHE 68 -22.228 -5.595 0.714 58 HZ PHE 68 HZ PHE 68 -21.866 -7.702 -0.541 59 H SER 69 HN SER 69 -21.989 -7.637 4.866 60 HA SER 69 HA SER 69 -22.026 -7.016 7.785 61 1HB SER 69 HB2 SER 69 -19.866 -7.636 5.818 62 2HB SER 69 HB1 SER 69 -19.478 -6.540 7.140 63 HG SER 69 HG SER 69 -19.772 -8.118 8.555 64 H GLU 70 HN GLU 70 -19.882 -5.381 5.552 65 HA GLU 70 HA GLU 70 -21.347 -3.103 4.868 66 1HB GLU 70 HB2 GLU 70 -21.014 -3.254 7.687 67 2HB GLU 70 HB1 GLU 70 -19.969 -1.955 7.109 68 1HG GLU 70 HG2 GLU 70 -22.432 -1.763 5.689 69 2HG GLU 70 HG1 GLU 70 -22.819 -1.941 7.400 70 HA PRO 71 HA PRO 71 -16.647 -1.844 5.297 71 1HB PRO 71 HB2 PRO 71 -15.320 -4.344 5.969 72 2HB PRO 71 HB1 PRO 71 -15.228 -2.786 6.800 73 1HG PRO 71 HG2 PRO 71 -16.608 -5.125 7.684 74 2HG PRO 71 HG1 PRO 71 -16.640 -3.523 8.432 75 1HD PRO 71 HD2 PRO 71 -18.754 -4.846 6.980 76 2HD PRO 71 HD1 PRO 71 -18.795 -3.254 7.761 77 H GLU 72 HN GLU 72 -16.329 -5.335 4.733 78 HA GLU 72 HA GLU 72 -15.446 -6.398 2.808 79 1HB GLU 72 HB2 GLU 72 -17.913 -5.025 1.711 80 2HB GLU 72 HB1 GLU 72 -17.166 -6.492 1.077 81 1HG GLU 72 HG2 GLU 72 -18.129 -7.793 2.657 82 2HG GLU 72 HG1 GLU 72 -17.736 -6.654 3.946 83 H ILE 73 HN ILE 73 -16.441 -4.960 0.118 84 HA ILE 73 HA ILE 73 -14.077 -4.199 -0.966 85 HB ILE 73 HB ILE 73 -16.436 -4.061 -1.992 86 1HG1 ILE 73 HG12 ILE 73 -15.343 -1.743 -3.159 87 2HG1 ILE 73 HG11 ILE 73 -13.970 -2.686 -2.575 88 1HG2 ILE 73 HG22 ILE 73 -17.311 -2.413 -0.339 89 2HG2 ILE 73 HG21 ILE 73 -16.175 -1.218 -0.965 90 3HG2 ILE 73 HG23 ILE 73 -17.460 -1.840 -2.000 91 1HD1 ILE 73 HD12 ILE 73 -15.629 -4.611 -3.679 92 2HD1 ILE 73 HD11 ILE 73 -15.801 -3.249 -4.789 93 3HD1 ILE 73 HD13 ILE 73 -14.203 -3.920 -4.456 94 H THR 74 HN THR 74 -16.094 -2.027 1.026 95 HA THR 74 HA THR 74 -14.399 0.236 0.946 96 HB THR 74 HB THR 74 -15.603 1.051 2.780 97 HG1 THR 74 HG1 THR 74 -15.274 -0.233 4.427 98 1HG2 THR 74 HG23 THR 74 -17.000 -0.389 0.842 99 2HG2 THR 74 HG22 THR 74 -17.719 -0.907 2.367 100 3HG2 THR 74 HG21 THR 74 -17.682 0.806 1.947 101 H LEU 75 HN LEU 75 -14.374 -2.561 3.173 102 HA LEU 75 HA LEU 75 -12.050 -1.599 4.622 103 1HB LEU 75 HB2 LEU 75 -13.894 -3.515 5.147 104 2HB LEU 75 HB1 LEU 75 -12.571 -4.519 4.555 105 HG LEU 75 HG LEU 75 -12.534 -2.577 6.872 106 1HD1 LEU 75 HD13 LEU 75 -13.226 -5.144 6.919 107 2HD1 LEU 75 HD12 LEU 75 -11.479 -5.378 6.907 108 3HD1 LEU 75 HD11 LEU 75 -12.235 -4.451 8.202 109 1HD2 LEU 75 HD23 LEU 75 -10.267 -3.796 5.294 110 2HD2 LEU 75 HD22 LEU 75 -10.470 -2.121 5.807 111 3HD2 LEU 75 HD21 LEU 75 -10.065 -3.363 6.991 112 H ILE 76 HN ILE 76 -12.457 -4.075 2.046 113 HA ILE 76 HA ILE 76 -9.739 -4.857 1.939 114 HB ILE 76 HB ILE 76 -11.668 -4.610 -0.389 115 1HG1 ILE 76 HG12 ILE 76 -11.121 -7.055 1.305 116 2HG1 ILE 76 HG11 ILE 76 -12.421 -5.926 1.693 117 1HG2 ILE 76 HG22 ILE 76 -9.269 -4.974 -0.984 118 2HG2 ILE 76 HG21 ILE 76 -9.270 -6.422 0.023 119 3HG2 ILE 76 HG23 ILE 76 -10.292 -6.345 -1.412 120 1HD1 ILE 76 HD11 ILE 76 -12.303 -6.801 -1.134 121 2HD1 ILE 76 HD13 ILE 76 -12.731 -8.057 0.027 122 3HD1 ILE 76 HD12 ILE 76 -13.700 -6.586 -0.079 123 H ILE 77 HN ILE 77 -11.376 -2.246 0.074 124 HA ILE 77 HA ILE 77 -9.040 -1.371 -1.307 125 HB ILE 77 HB ILE 77 -11.227 -0.521 -1.944 126 1HG1 ILE 77 HG12 ILE 77 -10.525 2.085 -1.227 127 2HG1 ILE 77 HG11 ILE 77 -8.992 1.213 -1.231 128 1HG2 ILE 77 HG22 ILE 77 -11.906 -0.527 0.597 129 2HG2 ILE 77 HG21 ILE 77 -11.376 1.152 0.533 130 3HG2 ILE 77 HG23 ILE 77 -12.678 0.597 -0.520 131 1HD1 ILE 77 HD13 ILE 77 -10.254 0.263 -3.507 132 2HD1 ILE 77 HD12 ILE 77 -10.709 1.967 -3.482 133 3HD1 ILE 77 HD11 ILE 77 -9.006 1.508 -3.475 134 H PHE 78 HN PHE 78 -10.438 -0.347 1.787 135 HA PHE 78 HA PHE 78 -8.495 1.592 2.487 136 1HB PHE 78 HB2 PHE 78 -10.351 -0.162 4.064 137 2HB PHE 78 HB1 PHE 78 -9.123 0.772 4.916 138 HD1 PHE 78 HD1 PHE 78 -10.338 2.110 1.757 139 HD2 PHE 78 HD2 PHE 78 -10.991 2.060 6.003 140 HE1 PHE 78 HE1 PHE 78 -11.743 4.144 1.564 141 HE2 PHE 78 HE2 PHE 78 -12.396 4.095 5.808 142 HZ PHE 78 HZ PHE 78 -12.772 5.136 3.590 143 H GLY 79 HN GLY 79 -8.537 -1.916 3.208 144 1HA GLY 79 HA2 GLY 79 -6.133 -1.994 4.702 145 2HA GLY 79 HA1 GLY 79 -6.750 -3.346 3.752 146 H VAL 80 HN VAL 80 -6.590 -2.361 1.158 147 HA VAL 80 HA VAL 80 -3.845 -2.725 0.520 148 HB VAL 80 HB VAL 80 -5.961 -1.271 -1.101 149 1HG1 VAL 80 HG11 VAL 80 -3.623 -0.926 -1.876 150 2HG1 VAL 80 HG13 VAL 80 -3.408 -2.674 -1.952 151 3HG1 VAL 80 HG12 VAL 80 -4.564 -1.879 -3.022 152 1HG2 VAL 80 HG21 VAL 80 -6.066 -3.866 -0.199 153 2HG2 VAL 80 HG23 VAL 80 -6.814 -3.305 -1.695 154 3HG2 VAL 80 HG22 VAL 80 -5.224 -4.065 -1.736 155 H MET 81 HN MET 81 -5.767 0.274 0.766 156 HA MET 81 HA MET 81 -3.666 2.104 0.201 157 1HB MET 81 HB2 MET 81 -6.151 2.319 1.911 158 2HB MET 81 HB1 MET 81 -5.043 3.674 1.704 159 1HG MET 81 HG2 MET 81 -6.366 2.179 -0.577 160 2HG MET 81 HG1 MET 81 -6.931 3.719 0.070 161 1HE MET 81 HE3 MET 81 -6.322 3.231 -2.894 162 2HE MET 81 HE2 MET 81 -4.696 3.559 -3.489 163 3HE MET 81 HE1 MET 81 -5.017 2.075 -2.594 164 H ALA 82 HN ALA 82 -4.778 0.732 3.283 165 HA ALA 82 HA ALA 82 -2.942 2.040 4.982 166 1HB ALA 82 HB2 ALA 82 -4.737 -0.264 5.177 167 2HB ALA 82 HB1 ALA 82 -3.273 -0.465 6.144 168 3HB ALA 82 HB3 ALA 82 -4.311 0.936 6.394 169 H GLY 83 HN GLY 83 -2.556 -1.103 3.251 170 1HA GLY 83 HA2 GLY 83 -0.003 -1.722 4.310 171 2HA GLY 83 HA1 GLY 83 -0.565 -2.228 2.714 172 H VAL 84 HN VAL 84 -0.863 0.185 1.395 173 HA VAL 84 HA VAL 84 1.801 0.829 0.629 174 HB VAL 84 HB VAL 84 -0.672 2.575 0.400 175 1HG1 VAL 84 HG12 VAL 84 2.115 2.753 -0.606 176 2HG1 VAL 84 HG11 VAL 84 0.847 3.108 -1.780 177 3HG1 VAL 84 HG13 VAL 84 0.950 4.037 -0.285 178 1HG2 VAL 84 HG21 VAL 84 0.253 0.139 -1.005 179 2HG2 VAL 84 HG23 VAL 84 -1.374 0.807 -0.864 180 3HG2 VAL 84 HG22 VAL 84 -0.251 1.461 -2.058 181 H ILE 85 HN ILE 85 -0.442 2.558 2.809 182 HA ILE 85 HA ILE 85 1.270 4.700 3.515 183 HB ILE 85 HB ILE 85 -0.895 3.268 5.074 184 1HG1 ILE 85 HG12 ILE 85 -1.032 6.087 4.070 185 2HG1 ILE 85 HG11 ILE 85 -1.202 4.777 2.901 186 1HG2 ILE 85 HG22 ILE 85 1.007 5.398 5.880 187 2HG2 ILE 85 HG21 ILE 85 -0.688 5.705 6.257 188 3HG2 ILE 85 HG23 ILE 85 0.105 4.257 6.878 189 1HD1 ILE 85 HD11 ILE 85 -2.766 4.477 5.402 190 2HD1 ILE 85 HD13 ILE 85 -3.285 5.774 4.326 191 3HD1 ILE 85 HD12 ILE 85 -3.222 4.112 3.738 192 H GLY 86 HN GLY 86 0.898 1.496 5.069 193 1HA GLY 86 HA2 GLY 86 2.741 1.886 7.172 194 2HA GLY 86 HA1 GLY 86 2.378 0.317 6.450 195 H THR 87 HN THR 87 3.326 0.642 3.864 196 HA THR 87 HA THR 87 6.109 0.188 4.155 197 HB THR 87 HB THR 87 4.520 1.097 1.736 198 HG1 THR 87 HG1 THR 87 3.988 -0.946 2.574 199 1HG2 THR 87 HG23 THR 87 7.407 0.328 2.087 200 2HG2 THR 87 HG22 THR 87 6.578 0.002 0.564 201 3HG2 THR 87 HG21 THR 87 6.719 1.658 1.154 202 H ILE 88 HN ILE 88 4.369 3.134 3.124 203 HA ILE 88 HA ILE 88 6.645 4.782 2.730 204 HB ILE 88 HB ILE 88 3.871 5.499 3.726 205 1HG1 ILE 88 HG12 ILE 88 5.188 5.508 0.993 206 2HG1 ILE 88 HG11 ILE 88 3.824 4.517 1.510 207 1HG2 ILE 88 HG22 ILE 88 5.696 7.185 4.251 208 2HG2 ILE 88 HG21 ILE 88 5.949 7.338 2.512 209 3HG2 ILE 88 HG23 ILE 88 4.398 7.788 3.222 210 1HD1 ILE 88 HD11 ILE 88 3.784 7.547 1.430 211 2HD1 ILE 88 HD13 ILE 88 3.143 6.515 0.151 212 3HD1 ILE 88 HD12 ILE 88 2.419 6.480 1.758 213 H LEU 89 HN LEU 89 4.698 4.234 5.673 214 HA LEU 89 HA LEU 89 6.142 5.962 7.390 215 1HB LEU 89 HB2 LEU 89 4.463 5.247 8.716 216 2HB LEU 89 HB1 LEU 89 4.133 3.900 7.636 217 HG LEU 89 HG LEU 89 5.970 2.617 8.752 218 1HD1 LEU 89 HD11 LEU 89 6.466 5.211 9.898 219 2HD1 LEU 89 HD13 LEU 89 6.132 4.059 11.192 220 3HD1 LEU 89 HD12 LEU 89 7.432 3.742 10.043 221 1HD2 LEU 89 HD21 LEU 89 3.402 2.870 9.514 222 2HD2 LEU 89 HD23 LEU 89 4.544 1.856 10.396 223 3HD2 LEU 89 HD22 LEU 89 4.178 3.480 10.976 224 H LEU 90 HN LEU 90 6.676 2.504 6.666 225 HA LEU 90 HA LEU 90 8.915 2.109 8.370 226 1HB LEU 90 HB2 LEU 90 8.114 0.868 5.733 227 2HB LEU 90 HB1 LEU 90 9.587 0.380 6.571 228 HG LEU 90 HG LEU 90 6.981 0.474 8.066 229 1HD1 LEU 90 HD11 LEU 90 7.802 -1.452 5.952 230 2HD1 LEU 90 HD13 LEU 90 7.150 -2.144 7.436 231 3HD1 LEU 90 HD12 LEU 90 6.188 -1.002 6.499 232 1HD2 LEU 90 HD22 LEU 90 9.498 0.028 8.906 233 2HD2 LEU 90 HD21 LEU 90 8.111 -0.785 9.630 234 3HD2 LEU 90 HD23 LEU 90 9.083 -1.613 8.414 235 H ILE 91 HN ILE 91 8.800 3.207 4.974 236 HA ILE 91 HA ILE 91 11.593 3.509 4.589 237 HB ILE 91 HB ILE 91 9.313 5.163 3.458 238 1HG1 ILE 91 HG12 ILE 91 10.793 2.713 2.450 239 2HG1 ILE 91 HG11 ILE 91 9.093 2.798 2.916 240 1HG2 ILE 91 HG23 ILE 91 12.032 5.720 3.371 241 2HG2 ILE 91 HG22 ILE 91 11.747 4.856 1.860 242 3HG2 ILE 91 HG21 ILE 91 10.825 6.314 2.230 243 1HD1 ILE 91 HD11 ILE 91 9.600 4.860 0.995 244 2HD1 ILE 91 HD13 ILE 91 10.239 3.343 0.361 245 3HD1 ILE 91 HD12 ILE 91 8.544 3.455 0.838 246 H SER 92 HN SER 92 9.203 5.862 5.842 247 HA SER 92 HA SER 92 11.020 8.003 6.224 248 1HB SER 92 HB2 SER 92 9.039 7.678 8.379 249 2HB SER 92 HB1 SER 92 9.266 9.017 7.256 250 HG SER 92 HG SER 92 7.296 7.539 7.120 251 H TYR 93 HN TYR 93 10.111 5.349 8.452 252 HA TYR 93 HA TYR 93 11.808 6.102 10.603 253 1HB TYR 93 HB2 TYR 93 10.236 3.822 9.866 254 2HB TYR 93 HB1 TYR 93 11.829 3.253 10.365 255 HD1 TYR 93 HD2 TYR 93 12.712 5.035 12.416 256 HD2 TYR 93 HD1 TYR 93 8.728 3.630 11.637 257 HE1 TYR 93 HE2 TYR 93 12.111 5.422 14.790 258 HE2 TYR 93 HE1 TYR 93 8.127 4.017 14.012 259 HH TYR 93 HH TYR 93 10.005 4.184 16.378 260 H GLY 94 HN GLY 94 12.467 3.977 7.797 261 1HA GLY 94 HA2 GLY 94 15.161 3.361 8.423 262 2HA GLY 94 HA1 GLY 94 14.501 3.399 6.786 263 H ILE 95 HN ILE 95 13.803 6.042 6.502 264 HA ILE 95 HA ILE 95 16.261 7.287 5.827 265 HB ILE 95 HB ILE 95 13.449 8.306 6.174 266 1HG1 ILE 95 HG12 ILE 95 14.846 8.919 3.709 267 2HG1 ILE 95 HG11 ILE 95 14.980 7.200 4.080 268 1HG2 ILE 95 HG21 ILE 95 14.943 10.115 6.993 269 2HG2 ILE 95 HG23 ILE 95 15.859 10.019 5.489 270 3HG2 ILE 95 HG22 ILE 95 14.175 10.542 5.462 271 1HD1 ILE 95 HD11 ILE 95 12.412 7.390 4.590 272 2HD1 ILE 95 HD13 ILE 95 12.511 8.846 3.599 273 3HD1 ILE 95 HD12 ILE 95 12.956 7.281 2.915 274 H ARG 96 HN ARG 96 14.177 7.796 8.694 275 HA ARG 96 HA ARG 96 15.748 9.805 9.934 276 1HB ARG 96 HB2 ARG 96 13.557 9.229 10.819 277 2HB ARG 96 HB1 ARG 96 14.090 7.586 11.176 278 1HG ARG 96 HG2 ARG 96 15.981 9.107 12.485 279 2HG ARG 96 HG1 ARG 96 14.515 10.063 12.701 280 1HD ARG 96 HD2 ARG 96 14.930 7.157 13.438 281 2HD ARG 96 HD1 ARG 96 14.622 8.503 14.535 282 HE ARG 96 HE ARG 96 12.573 6.984 13.514 283 1HH1 ARG 96 HH21 ARG 96 11.810 8.207 11.222 284 2HH1 ARG 96 HH22 ARG 96 11.028 9.693 11.647 285 1HH2 ARG 96 HH11 ARG 96 12.342 9.780 14.853 286 2HH2 ARG 96 HH12 ARG 96 11.330 10.584 13.700 287 H ARG 97 HN ARG 97 15.972 6.251 10.220 288 HA ARG 97 HA ARG 97 18.125 6.206 12.053 289 1HB ARG 97 HB2 ARG 97 16.935 4.156 11.479 290 2HB ARG 97 HB1 ARG 97 17.465 4.283 9.801 291 1HG ARG 97 HG2 ARG 97 19.653 4.360 11.780 292 2HG ARG 97 HG1 ARG 97 18.773 2.833 11.721 293 1HD ARG 97 HD2 ARG 97 19.379 2.407 9.522 294 2HD ARG 97 HD1 ARG 97 19.586 4.116 9.140 295 HE ARG 97 HE ARG 97 21.587 3.611 10.985 296 1HH1 ARG 97 HH21 ARG 97 21.573 3.910 7.807 297 2HH1 ARG 97 HH22 ARG 97 22.691 2.644 7.422 298 1HH2 ARG 97 HH11 ARG 97 22.594 1.234 10.589 299 2HH2 ARG 97 HH12 ARG 97 23.268 1.129 8.997 300 H LEU 98 HN LEU 98 18.185 6.291 8.484 301 HA LEU 98 HA LEU 98 20.996 6.224 8.162 302 1HB LEU 98 HB2 LEU 98 18.723 7.330 6.552 303 2HB LEU 98 HB1 LEU 98 20.371 7.757 6.087 304 HG LEU 98 HG LEU 98 19.901 4.890 6.689 305 1HD1 LEU 98 HD12 LEU 98 18.648 6.335 4.350 306 2HD1 LEU 98 HD11 LEU 98 19.049 4.620 4.278 307 3HD1 LEU 98 HD13 LEU 98 17.885 5.204 5.467 308 1HD2 LEU 98 HD21 LEU 98 22.049 5.995 5.849 309 2HD2 LEU 98 HD23 LEU 98 21.497 4.599 4.924 310 3HD2 LEU 98 HD22 LEU 98 21.215 6.229 4.312 311 H ILE 99 HN ILE 99 18.839 9.052 8.597 312 HA ILE 99 HA ILE 99 21.142 10.859 8.744 313 HB ILE 99 HB ILE 99 19.347 12.555 9.328 314 1HG1 ILE 99 HG12 ILE 99 17.345 10.465 8.535 315 2HG1 ILE 99 HG11 ILE 99 17.878 10.536 10.213 316 1HG2 ILE 99 HG21 ILE 99 20.085 11.544 6.920 317 2HG2 ILE 99 HG23 ILE 99 18.358 11.189 6.885 318 3HG2 ILE 99 HG22 ILE 99 18.913 12.849 7.100 319 1HD1 ILE 99 HD12 ILE 99 17.395 13.202 9.526 320 2HD1 ILE 99 HD11 ILE 99 16.069 12.311 8.778 321 3HD1 ILE 99 HD13 ILE 99 16.356 12.173 10.513 322 H LYS 100 HN LYS 100 18.996 11.905 11.083 323 HA LYS 100 HA LYS 100 19.106 11.949 13.421 324 1HB LYS 100 HB2 LYS 100 18.676 9.451 12.938 325 2HB LYS 100 HB1 LYS 100 20.399 9.226 13.248 326 1HG LYS 100 HG2 LYS 100 20.058 10.409 15.460 327 2HG LYS 100 HG1 LYS 100 18.322 10.331 15.154 328 1HD LYS 100 HD2 LYS 100 19.887 7.804 14.874 329 2HD LYS 100 HD1 LYS 100 19.585 8.402 16.506 330 1HE LYS 100 HE2 LYS 100 17.624 7.253 16.274 331 2HE LYS 100 HE1 LYS 100 17.116 8.709 15.418 332 1HZ LYS 100 HZ2 LYS 100 18.531 6.611 13.934 333 2HZ LYS 100 HZ1 LYS 100 16.892 6.377 14.312 334 3HZ LYS 100 HZ3 LYS 100 17.365 7.720 13.390 335 H LYS 101 HN LYS 101 20.595 12.701 14.929 336 HA LYS 101 HA LYS 101 22.671 13.411 15.769 337 1HB LYS 101 HB2 LYS 101 23.149 10.769 14.616 338 2HB LYS 101 HB1 LYS 101 24.580 11.797 14.535 339 1HG LYS 101 HG2 LYS 101 24.055 12.371 17.009 340 2HG LYS 101 HG1 LYS 101 23.020 10.944 16.969 341 1HD LYS 101 HD2 LYS 101 25.097 9.736 15.974 342 2HD LYS 101 HD1 LYS 101 26.006 11.110 16.605 343 1HE LYS 101 HE2 LYS 101 25.726 10.466 18.771 344 2HE LYS 101 HE1 LYS 101 24.069 9.927 18.499 345 1HZ LYS 101 HZ3 LYS 101 26.099 8.353 17.170 346 2HZ LYS 101 HZ2 LYS 101 26.150 8.283 18.866 347 3HZ LYS 101 HZ1 LYS 101 24.731 7.851 18.039 348 1H VAL 62 HT3 VAL 62 -35.357 -10.800 -6.828 349 2H VAL 62 HT2 VAL 62 -34.691 -11.430 -8.259 350 3H VAL 62 HT1 VAL 62 -36.372 -11.228 -8.117 351 HA VAL 62 HA VAL 62 -36.540 -12.940 -6.496 352 HB VAL 62 HB VAL 62 -34.812 -13.638 -8.882 353 1HG1 VAL 62 HG11 VAL 62 -35.920 -15.346 -6.681 354 2HG1 VAL 62 HG13 VAL 62 -35.883 -15.991 -8.321 355 3HG1 VAL 62 HG12 VAL 62 -34.385 -15.486 -7.538 356 1HG2 VAL 62 HG22 VAL 62 -37.101 -12.773 -9.315 357 2HG2 VAL 62 HG21 VAL 62 -36.943 -14.464 -9.787 358 3HG2 VAL 62 HG23 VAL 62 -37.761 -14.041 -8.282 359 H GLN 63 HN GLN 63 -33.143 -12.354 -7.423 360 HA GLN 63 HA GLN 63 -32.225 -12.628 -4.704 361 1HB GLN 63 HB2 GLN 63 -30.815 -14.715 -5.199 362 2HB GLN 63 HB1 GLN 63 -32.539 -14.981 -4.938 363 1HG GLN 63 HG2 GLN 63 -32.175 -16.212 -6.886 364 2HG GLN 63 HG1 GLN 63 -32.696 -14.661 -7.544 365 1HE2 GLN 63 HE22 GLN 63 -29.671 -14.170 -9.260 366 2HE2 GLN 63 HE21 GLN 63 -31.317 -13.787 -9.092 367 H LEU 64 HN LEU 64 -29.801 -12.489 -4.625 368 HA LEU 64 HA LEU 64 -28.669 -11.401 -7.171 369 1HB LEU 64 HB2 LEU 64 -29.121 -10.035 -4.674 370 2HB LEU 64 HB1 LEU 64 -27.388 -10.127 -4.992 371 HG LEU 64 HG LEU 64 -27.721 -9.174 -7.227 372 1HD1 LEU 64 HD13 LEU 64 -30.603 -9.501 -6.454 373 2HD1 LEU 64 HD12 LEU 64 -30.152 -8.196 -7.551 374 3HD1 LEU 64 HD11 LEU 64 -29.810 -9.872 -7.985 375 1HD2 LEU 64 HD21 LEU 64 -28.036 -7.834 -4.789 376 2HD2 LEU 64 HD23 LEU 64 -27.659 -7.094 -6.344 377 3HD2 LEU 64 HD22 LEU 64 -29.334 -7.205 -5.803 378 H ALA 65 HN ALA 65 -28.125 -13.964 -6.761 379 HA ALA 65 HA ALA 65 -25.667 -14.169 -5.118 380 1HB ALA 65 HB3 ALA 65 -27.529 -16.140 -6.404 381 2HB ALA 65 HB2 ALA 65 -25.881 -16.641 -6.025 382 3HB ALA 65 HB1 ALA 65 -26.949 -16.078 -4.740 383 H HIS 66 HN HIS 66 -25.689 -12.586 -7.595 384 HA HIS 66 HA HIS 66 -24.033 -14.252 -9.420 385 1HB HIS 66 HB2 HIS 66 -25.048 -11.417 -9.789 386 2HB HIS 66 HB1 HIS 66 -24.287 -12.425 -11.020 387 HD1 HIS 66 HD1 HIS 66 -25.634 -14.824 -11.417 388 HD2 HIS 66 HD2 HIS 66 -27.800 -11.661 -9.780 389 HE1 HIS 66 HE1 HIS 66 -28.081 -15.383 -11.753 390 H HIS 67 HN HIS 67 -22.019 -13.124 -10.294 391 HA HIS 67 HA HIS 67 -19.889 -12.248 -9.828 392 1HB HIS 67 HB2 HIS 67 -21.842 -10.283 -8.750 393 2HB HIS 67 HB1 HIS 67 -20.181 -10.122 -8.181 394 HD1 HIS 67 HD1 HIS 67 -20.373 -7.827 -9.694 395 HD2 HIS 67 HD2 HIS 67 -20.204 -11.441 -11.768 396 HE1 HIS 67 HE1 HIS 67 -19.728 -7.257 -12.075 397 H PHE 68 HN PHE 68 -19.705 -14.337 -8.510 398 HA PHE 68 HA PHE 68 -20.069 -14.402 -5.695 399 1HB PHE 68 HB2 PHE 68 -18.122 -16.131 -5.846 400 2HB PHE 68 HB1 PHE 68 -19.634 -16.490 -6.680 401 HD1 PHE 68 HD1 PHE 68 -16.432 -14.623 -7.310 402 HD2 PHE 68 HD2 PHE 68 -19.492 -17.191 -8.892 403 HE1 PHE 68 HE1 PHE 68 -15.216 -14.744 -9.468 404 HE2 PHE 68 HE2 PHE 68 -18.275 -17.311 -11.050 405 HZ PHE 68 HZ PHE 68 -16.136 -16.087 -11.337 406 H SER 69 HN SER 69 -17.681 -14.935 -4.469 407 HA SER 69 HA SER 69 -15.643 -12.957 -5.030 408 1HB SER 69 HB2 SER 69 -16.069 -11.351 -3.371 409 2HB SER 69 HB1 SER 69 -17.678 -11.669 -4.014 410 HG SER 69 HG SER 69 -18.176 -12.245 -2.064 411 H GLU 70 HN GLU 70 -14.623 -12.658 -2.423 412 HA GLU 70 HA GLU 70 -14.222 -15.499 -1.574 413 1HB GLU 70 HB2 GLU 70 -11.964 -13.683 -1.056 414 2HB GLU 70 HB1 GLU 70 -11.962 -15.313 -1.725 415 1HG GLU 70 HG2 GLU 70 -12.980 -14.139 -3.848 416 2HG GLU 70 HG1 GLU 70 -12.260 -12.688 -3.149 417 HA PRO 71 HA PRO 71 -14.896 -14.462 2.609 418 1HB PRO 71 HB2 PRO 71 -12.226 -14.991 3.612 419 2HB PRO 71 HB1 PRO 71 -13.684 -15.978 3.785 420 1HG PRO 71 HG2 PRO 71 -11.429 -16.534 2.119 421 2HG PRO 71 HG1 PRO 71 -12.950 -17.431 2.189 422 1HD PRO 71 HD2 PRO 71 -11.996 -15.688 0.081 423 2HD PRO 71 HD1 PRO 71 -13.481 -16.661 0.115 424 H GLU 72 HN GLU 72 -14.937 -12.525 3.676 425 HA GLU 72 HA GLU 72 -13.738 -10.197 2.789 426 1HB GLU 72 HB2 GLU 72 -13.888 -9.570 5.403 427 2HB GLU 72 HB1 GLU 72 -15.314 -9.681 4.371 428 1HG GLU 72 HG2 GLU 72 -15.958 -11.735 5.247 429 2HG GLU 72 HG1 GLU 72 -14.316 -12.163 5.728 430 H ILE 73 HN ILE 73 -12.588 -11.504 5.909 431 HA ILE 73 HA ILE 73 -10.188 -10.189 6.044 432 HB ILE 73 HB ILE 73 -10.724 -11.486 7.906 433 1HG1 ILE 73 HG12 ILE 73 -8.277 -11.692 7.012 434 2HG1 ILE 73 HG11 ILE 73 -8.794 -12.731 8.337 435 1HG2 ILE 73 HG22 ILE 73 -11.386 -13.545 5.864 436 2HG2 ILE 73 HG21 ILE 73 -10.858 -14.129 7.441 437 3HG2 ILE 73 HG23 ILE 73 -12.266 -13.075 7.317 438 1HD1 ILE 73 HD11 ILE 73 -9.393 -13.915 5.741 439 2HD1 ILE 73 HD13 ILE 73 -7.673 -13.575 5.922 440 3HD1 ILE 73 HD12 ILE 73 -8.500 -14.598 7.098 441 H THR 74 HN THR 74 -10.828 -13.125 4.140 442 HA THR 74 HA THR 74 -8.116 -13.598 3.368 443 HB THR 74 HB THR 74 -10.570 -14.197 1.700 444 HG1 THR 74 HG1 THR 74 -9.417 -15.890 3.636 445 1HG2 THR 74 HG23 THR 74 -7.813 -15.421 1.947 446 2HG2 THR 74 HG22 THR 74 -9.145 -16.194 1.089 447 3HG2 THR 74 HG21 THR 74 -8.515 -14.645 0.528 448 H LEU 75 HN LEU 75 -10.715 -11.749 1.753 449 HA LEU 75 HA LEU 75 -8.931 -10.900 -0.388 450 1HB LEU 75 HB2 LEU 75 -11.598 -11.050 -0.273 451 2HB LEU 75 HB1 LEU 75 -11.420 -9.372 0.241 452 HG LEU 75 HG LEU 75 -10.430 -10.628 -2.329 453 1HD1 LEU 75 HD11 LEU 75 -12.825 -9.377 -1.659 454 2HD1 LEU 75 HD13 LEU 75 -11.885 -8.093 -2.420 455 3HD1 LEU 75 HD12 LEU 75 -12.195 -9.595 -3.292 456 1HD2 LEU 75 HD21 LEU 75 -9.654 -8.087 -0.925 457 2HD2 LEU 75 HD23 LEU 75 -8.641 -9.217 -1.823 458 3HD2 LEU 75 HD22 LEU 75 -9.712 -8.114 -2.687 459 H ILE 76 HN ILE 76 -10.321 -9.274 2.497 460 HA ILE 76 HA ILE 76 -9.107 -6.754 2.048 461 HB ILE 76 HB ILE 76 -9.569 -8.103 4.726 462 1HG1 ILE 76 HG12 ILE 76 -11.439 -6.233 3.257 463 2HG1 ILE 76 HG11 ILE 76 -11.546 -7.986 3.089 464 1HG2 ILE 76 HG22 ILE 76 -8.160 -6.034 4.740 465 2HG2 ILE 76 HG21 ILE 76 -9.487 -5.167 3.967 466 3HG2 ILE 76 HG23 ILE 76 -9.690 -5.829 5.589 467 1HD1 ILE 76 HD12 ILE 76 -11.349 -7.518 5.855 468 2HD1 ILE 76 HD11 ILE 76 -12.480 -6.304 5.256 469 3HD1 ILE 76 HD13 ILE 76 -12.789 -8.015 4.966 470 H ILE 77 HN ILE 77 -7.840 -9.575 3.883 471 HA ILE 77 HA ILE 77 -5.340 -8.390 4.552 472 HB ILE 77 HB ILE 77 -6.230 -10.592 5.431 473 1HG1 ILE 77 HG12 ILE 77 -3.711 -11.619 4.784 474 2HG1 ILE 77 HG11 ILE 77 -3.507 -9.869 4.689 475 1HG2 ILE 77 HG21 ILE 77 -6.845 -11.519 3.217 476 2HG2 ILE 77 HG23 ILE 77 -5.137 -11.627 2.802 477 3HG2 ILE 77 HG22 ILE 77 -5.789 -12.601 4.119 478 1HD1 ILE 77 HD11 ILE 77 -4.798 -11.288 7.034 479 2HD1 ILE 77 HD13 ILE 77 -3.099 -10.817 6.987 480 3HD1 ILE 77 HD12 ILE 77 -4.358 -9.582 6.936 481 H PHE 78 HN PHE 78 -6.306 -10.331 1.729 482 HA PHE 78 HA PHE 78 -3.811 -10.316 0.380 483 1HB PHE 78 HB2 PHE 78 -6.620 -10.792 -0.365 484 2HB PHE 78 HB1 PHE 78 -5.635 -10.157 -1.681 485 HD1 PHE 78 HD2 PHE 78 -5.464 -12.716 1.062 486 HD2 PHE 78 HD1 PHE 78 -4.365 -11.642 -2.950 487 HE1 PHE 78 HE2 PHE 78 -4.431 -14.948 0.747 488 HE2 PHE 78 HE1 PHE 78 -3.333 -13.874 -3.264 489 HZ PHE 78 HZ PHE 78 -3.365 -15.527 -1.417 490 H GLY 79 HN GLY 79 -6.508 -7.967 0.149 491 1HA GLY 79 HA2 GLY 79 -5.327 -6.274 -1.788 492 2HA GLY 79 HA1 GLY 79 -6.474 -5.724 -0.566 493 H VAL 80 HN VAL 80 -5.054 -6.122 1.787 494 HA VAL 80 HA VAL 80 -3.369 -3.841 1.888 495 HB VAL 80 HB VAL 80 -3.362 -6.268 3.706 496 1HG1 VAL 80 HG11 VAL 80 -1.708 -3.925 3.624 497 2HG1 VAL 80 HG13 VAL 80 -2.746 -3.830 5.046 498 3HG1 VAL 80 HG12 VAL 80 -1.698 -5.229 4.810 499 1HG2 VAL 80 HG23 VAL 80 -5.448 -4.551 3.189 500 2HG2 VAL 80 HG22 VAL 80 -5.222 -5.415 4.710 501 3HG2 VAL 80 HG21 VAL 80 -4.658 -3.752 4.549 502 H MET 81 HN MET 81 -2.507 -7.301 1.660 503 HA MET 81 HA MET 81 0.312 -6.964 1.585 504 1HB MET 81 HB2 MET 81 -1.328 -9.026 0.077 505 2HB MET 81 HB1 MET 81 0.378 -9.157 0.508 506 1HG MET 81 HG2 MET 81 -0.760 -8.619 2.944 507 2HG MET 81 HG1 MET 81 -2.017 -9.584 2.173 508 1HE MET 81 HE2 MET 81 -0.988 -11.038 0.299 509 2HE MET 81 HE1 MET 81 0.478 -12.007 0.434 510 3HE MET 81 HE3 MET 81 -1.030 -12.570 1.168 511 H ALA 82 HN ALA 82 -2.069 -7.041 -1.062 512 HA ALA 82 HA ALA 82 -0.257 -6.680 -3.199 513 1HB ALA 82 HB3 ALA 82 -3.146 -6.471 -2.817 514 2HB ALA 82 HB2 ALA 82 -2.543 -5.293 -3.987 515 3HB ALA 82 HB1 ALA 82 -2.234 -7.011 -4.225 516 H GLY 83 HN GLY 83 -1.947 -4.173 -1.237 517 1HA GLY 83 HA2 GLY 83 -0.961 -1.936 -2.661 518 2HA GLY 83 HA1 GLY 83 -1.380 -1.916 -0.947 519 H VAL 84 HN VAL 84 0.491 -3.649 0.145 520 HA VAL 84 HA VAL 84 2.815 -2.020 0.341 521 HB VAL 84 HB VAL 84 2.462 -4.983 0.885 522 1HG1 VAL 84 HG13 VAL 84 4.860 -3.513 0.663 523 2HG1 VAL 84 HG12 VAL 84 4.555 -3.667 2.393 524 3HG1 VAL 84 HG11 VAL 84 4.657 -5.109 1.383 525 1HG2 VAL 84 HG21 VAL 84 1.928 -2.466 2.356 526 2HG2 VAL 84 HG23 VAL 84 1.183 -4.054 2.536 527 3HG2 VAL 84 HG22 VAL 84 2.743 -3.723 3.287 528 H ILE 85 HN ILE 85 2.263 -4.987 -1.568 529 HA ILE 85 HA ILE 85 4.813 -5.142 -2.786 530 HB ILE 85 HB ILE 85 2.143 -5.866 -4.029 531 1HG1 ILE 85 HG12 ILE 85 4.008 -7.646 -2.440 532 2HG1 ILE 85 HG11 ILE 85 2.639 -6.812 -1.707 533 1HG2 ILE 85 HG22 ILE 85 4.974 -6.839 -4.523 534 2HG2 ILE 85 HG21 ILE 85 3.527 -7.537 -5.251 535 3HG2 ILE 85 HG23 ILE 85 3.994 -5.879 -5.631 536 1HD1 ILE 85 HD12 ILE 85 1.327 -7.899 -3.748 537 2HD1 ILE 85 HD11 ILE 85 2.654 -9.059 -3.682 538 3HD1 ILE 85 HD13 ILE 85 1.625 -8.815 -2.271 539 H GLY 86 HN GLY 86 1.871 -3.438 -3.901 540 1HA GLY 86 HA2 GLY 86 2.913 -2.441 -6.328 541 2HA GLY 86 HA1 GLY 86 1.646 -1.646 -5.393 542 H THR 87 HN THR 87 2.997 -0.945 -3.068 543 HA THR 87 HA THR 87 4.341 1.433 -3.830 544 HB THR 87 HB THR 87 4.738 -0.106 -1.245 545 HG1 THR 87 HG1 THR 87 2.537 0.270 -1.715 546 1HG2 THR 87 HG23 THR 87 6.304 1.787 -1.685 547 2HG2 THR 87 HG22 THR 87 4.913 2.857 -1.856 548 3HG2 THR 87 HG21 THR 87 5.245 2.084 -0.306 549 H ILE 88 HN ILE 88 5.691 -1.712 -2.790 550 HA ILE 88 HA ILE 88 8.436 -1.014 -3.030 551 HB ILE 88 HB ILE 88 7.096 -3.684 -3.572 552 1HG1 ILE 88 HG12 ILE 88 8.319 -2.459 -1.079 553 2HG1 ILE 88 HG11 ILE 88 6.622 -2.871 -1.324 554 1HG2 ILE 88 HG23 ILE 88 9.699 -2.937 -4.147 555 2HG2 ILE 88 HG22 ILE 88 9.841 -3.643 -2.536 556 3HG2 ILE 88 HG21 ILE 88 9.154 -4.589 -3.856 557 1HD1 ILE 88 HD11 ILE 88 8.824 -4.934 -1.514 558 2HD1 ILE 88 HD13 ILE 88 8.011 -4.562 0.006 559 3HD1 ILE 88 HD12 ILE 88 7.090 -5.209 -1.353 560 H LEU 89 HN LEU 89 6.186 -2.380 -5.427 561 HA LEU 89 HA LEU 89 7.996 -2.555 -7.593 562 1HB LEU 89 HB2 LEU 89 6.148 -3.388 -8.577 563 2HB LEU 89 HB1 LEU 89 5.207 -2.899 -7.174 564 HG LEU 89 HG LEU 89 4.978 -0.613 -8.241 565 1HD1 LEU 89 HD12 LEU 89 6.981 -1.507 -9.900 566 2HD1 LEU 89 HD11 LEU 89 5.550 -1.725 -10.908 567 3HD1 LEU 89 HD13 LEU 89 5.930 -0.134 -10.250 568 1HD2 LEU 89 HD23 LEU 89 3.215 -2.378 -8.362 569 2HD2 LEU 89 HD22 LEU 89 3.221 -1.329 -9.781 570 3HD2 LEU 89 HD21 LEU 89 3.926 -2.943 -9.874 571 H LEU 90 HN LEU 90 5.905 0.161 -6.593 572 HA LEU 90 HA LEU 90 6.603 1.950 -8.686 573 1HB LEU 90 HB2 LEU 90 4.900 2.202 -6.673 574 2HB LEU 90 HB1 LEU 90 6.270 2.987 -5.887 575 HG LEU 90 HG LEU 90 4.923 3.776 -8.480 576 1HD1 LEU 90 HD12 LEU 90 5.025 4.784 -5.699 577 2HD1 LEU 90 HD11 LEU 90 5.209 6.015 -6.947 578 3HD1 LEU 90 HD13 LEU 90 3.775 4.988 -6.926 579 1HD2 LEU 90 HD21 LEU 90 7.608 4.550 -7.331 580 2HD2 LEU 90 HD23 LEU 90 7.223 4.047 -8.976 581 3HD2 LEU 90 HD22 LEU 90 6.722 5.636 -8.400 582 H ILE 91 HN ILE 91 8.175 1.458 -5.505 583 HA ILE 91 HA ILE 91 10.220 3.403 -5.828 584 HB ILE 91 HB ILE 91 10.418 0.711 -4.437 585 1HG1 ILE 91 HG12 ILE 91 9.692 3.421 -3.287 586 2HG1 ILE 91 HG11 ILE 91 8.502 2.193 -3.721 587 1HG2 ILE 91 HG21 ILE 91 12.200 3.057 -4.683 588 2HG2 ILE 91 HG23 ILE 91 11.963 2.476 -3.034 589 3HG2 ILE 91 HG22 ILE 91 12.589 1.387 -4.272 590 1HD1 ILE 91 HD11 ILE 91 10.569 0.977 -2.136 591 2HD1 ILE 91 HD13 ILE 91 9.962 2.404 -1.296 592 3HD1 ILE 91 HD12 ILE 91 8.849 1.121 -1.775 593 H SER 92 HN SER 92 10.201 -0.058 -6.762 594 HA SER 92 HA SER 92 12.821 -0.115 -7.852 595 1HB SER 92 HB2 SER 92 10.416 -1.583 -8.970 596 2HB SER 92 HB1 SER 92 12.106 -2.060 -9.096 597 HG SER 92 HG SER 92 11.536 -3.170 -7.368 598 H TYR 93 HN TYR 93 9.701 0.685 -9.411 599 HA TYR 93 HA TYR 93 10.736 1.262 -11.994 600 1HB TYR 93 HB2 TYR 93 8.248 1.428 -10.751 601 2HB TYR 93 HB1 TYR 93 8.621 3.103 -11.158 602 HD1 TYR 93 HD2 TYR 93 10.148 2.944 -13.607 603 HD2 TYR 93 HD1 TYR 93 6.776 0.590 -12.366 604 HE1 TYR 93 HE2 TYR 93 9.587 2.495 -15.980 605 HE2 TYR 93 HE1 TYR 93 6.216 0.141 -14.740 606 HH TYR 93 HH TYR 93 6.598 1.049 -16.920 607 H GLY 94 HN GLY 94 10.269 3.413 -9.172 608 1HA GLY 94 HA2 GLY 94 11.265 5.790 -10.347 609 2HA GLY 94 HA1 GLY 94 11.329 5.429 -8.620 610 H ILE 95 HN ILE 95 12.987 3.229 -8.546 611 HA ILE 95 HA ILE 95 15.579 4.381 -8.687 612 HB ILE 95 HB ILE 95 14.582 1.543 -8.490 613 1HG1 ILE 95 HG12 ILE 95 16.506 2.407 -6.524 614 2HG1 ILE 95 HG11 ILE 95 15.251 3.634 -6.689 615 1HG2 ILE 95 HG21 ILE 95 16.629 1.455 -9.884 616 2HG2 ILE 95 HG23 ILE 95 17.494 2.382 -8.657 617 3HG2 ILE 95 HG22 ILE 95 16.905 0.761 -8.287 618 1HD1 ILE 95 HD13 ILE 95 13.657 1.503 -6.648 619 2HD1 ILE 95 HD12 ILE 95 15.019 0.793 -5.785 620 3HD1 ILE 95 HD11 ILE 95 14.230 2.237 -5.151 621 H ARG 96 HN ARG 96 13.949 2.169 -10.982 622 HA ARG 96 HA ARG 96 16.060 1.987 -12.873 623 1HB ARG 96 HB2 ARG 96 13.097 2.096 -13.517 624 2HB ARG 96 HB1 ARG 96 14.365 1.333 -14.478 625 1HG ARG 96 HG2 ARG 96 14.642 0.205 -11.931 626 2HG ARG 96 HG1 ARG 96 12.899 0.271 -12.199 627 1HD ARG 96 HD2 ARG 96 14.382 -0.606 -14.569 628 2HD ARG 96 HD1 ARG 96 14.600 -1.680 -13.187 629 HE ARG 96 HE ARG 96 11.864 -1.245 -13.261 630 1HH1 ARG 96 HH11 ARG 96 11.557 -0.942 -16.024 631 2HH1 ARG 96 HH12 ARG 96 11.677 -2.534 -16.696 632 1HH2 ARG 96 HH21 ARG 96 13.196 -3.893 -13.892 633 2HH2 ARG 96 HH22 ARG 96 12.606 -4.204 -15.490 634 H ARG 97 HN ARG 97 13.386 4.336 -12.655 635 HA ARG 97 HA ARG 97 14.070 5.871 -14.931 636 1HB ARG 97 HB2 ARG 97 11.967 6.270 -13.812 637 2HB ARG 97 HB1 ARG 97 12.791 6.695 -12.310 638 1HG ARG 97 HG2 ARG 97 13.851 8.340 -14.393 639 2HG ARG 97 HG1 ARG 97 12.090 8.417 -14.480 640 1HD ARG 97 HD2 ARG 97 12.005 8.935 -12.059 641 2HD ARG 97 HD1 ARG 97 13.767 8.896 -11.997 642 HE ARG 97 HE ARG 97 12.446 11.211 -12.573 643 1HH1 ARG 97 HH11 ARG 97 12.173 10.619 -15.406 644 2HH1 ARG 97 HH12 ARG 97 13.678 11.141 -16.084 645 1HH2 ARG 97 HH21 ARG 97 15.332 11.212 -13.038 646 2HH2 ARG 97 HH22 ARG 97 15.466 11.477 -14.745 647 H LEU 98 HN LEU 98 15.147 6.233 -11.549 648 HA LEU 98 HA LEU 98 16.758 8.530 -11.908 649 1HB LEU 98 HB2 LEU 98 16.649 6.284 -9.970 650 2HB LEU 98 HB1 LEU 98 18.181 7.154 -10.049 651 HG LEU 98 HG LEU 98 15.643 8.739 -9.948 652 1HD1 LEU 98 HD11 LEU 98 15.517 6.956 -8.160 653 2HD1 LEU 98 HD13 LEU 98 17.007 7.615 -7.486 654 3HD1 LEU 98 HD12 LEU 98 15.550 8.607 -7.538 655 1HD2 LEU 98 HD22 LEU 98 18.501 9.056 -8.995 656 2HD2 LEU 98 HD21 LEU 98 17.663 9.993 -10.232 657 3HD2 LEU 98 HD23 LEU 98 17.218 10.177 -8.535 658 H ILE 99 HN ILE 99 17.639 5.079 -12.256 659 HA ILE 99 HA ILE 99 20.328 5.737 -13.165 660 HB ILE 99 HB ILE 99 20.431 3.285 -13.666 661 1HG1 ILE 99 HG12 ILE 99 17.649 3.141 -12.495 662 2HG1 ILE 99 HG11 ILE 99 17.906 3.255 -14.234 663 1HG2 ILE 99 HG22 ILE 99 20.902 4.199 -11.386 664 2HG2 ILE 99 HG21 ILE 99 19.210 3.932 -10.964 665 3HG2 ILE 99 HG23 ILE 99 20.252 2.560 -11.340 666 1HD1 ILE 99 HD11 ILE 99 19.698 1.281 -13.432 667 2HD1 ILE 99 HD13 ILE 99 18.260 0.961 -12.463 668 3HD1 ILE 99 HD12 ILE 99 18.145 1.009 -14.222 669 H LYS 100 HN LYS 100 19.461 3.391 -15.277 670 HA LYS 100 HA LYS 100 19.321 3.474 -17.627 671 1HB LYS 100 HB2 LYS 100 16.932 3.712 -16.708 672 2HB LYS 100 HB1 LYS 100 17.085 5.431 -17.074 673 1HG LYS 100 HG2 LYS 100 16.399 4.901 -19.162 674 2HG LYS 100 HG1 LYS 100 18.004 4.204 -19.389 675 1HD LYS 100 HD2 LYS 100 17.206 2.022 -18.644 676 2HD LYS 100 HD1 LYS 100 15.617 2.696 -18.283 677 1HE LYS 100 HE2 LYS 100 15.692 3.460 -20.803 678 2HE LYS 100 HE1 LYS 100 16.889 2.172 -20.951 679 1HZ LYS 100 HZ2 LYS 100 14.452 1.521 -19.501 680 2HZ LYS 100 HZ1 LYS 100 14.286 1.758 -21.175 681 3HZ LYS 100 HZ3 LYS 100 15.356 0.580 -20.589 682 H LYS 101 HN LYS 101 21.427 4.886 -17.310 683 HA LYS 101 HA LYS 101 22.703 6.658 -18.178 684 1HB LYS 101 HB2 LYS 101 20.219 6.679 -19.822 685 2HB LYS 101 HB1 LYS 101 21.222 8.128 -19.876 686 1HG LYS 101 HG2 LYS 101 23.206 6.578 -20.303 687 2HG LYS 101 HG1 LYS 101 22.023 5.297 -20.570 688 1HD LYS 101 HD2 LYS 101 20.915 6.888 -22.252 689 2HD LYS 101 HD1 LYS 101 22.392 7.847 -22.146 690 1HE LYS 101 HE2 LYS 101 22.469 4.887 -22.730 691 2HE LYS 101 HE1 LYS 101 22.283 6.079 -24.016 692 1HZ LYS 101 HZ1 LYS 101 24.318 7.118 -22.644 693 2HZ LYS 101 HZ3 LYS 101 24.596 5.465 -22.379 694 3HZ LYS 101 HZ2 LYS 101 24.514 6.067 -23.965 No H/Q in entry = 694 Start of MODEL 13 1 1H VAL 62 HT1 VAL 62 -22.630 -10.271 18.455 2 2H VAL 62 HT3 VAL 62 -21.272 -9.406 17.922 3 3H VAL 62 HT2 VAL 62 -21.648 -9.456 19.578 4 HA VAL 62 HA VAL 62 -23.515 -8.089 19.331 5 HB VAL 62 HB VAL 62 -21.231 -7.168 17.566 6 1HG1 VAL 62 HG13 VAL 62 -23.746 -5.771 18.473 7 2HG1 VAL 62 HG12 VAL 62 -22.273 -4.861 18.140 8 3HG1 VAL 62 HG11 VAL 62 -23.029 -5.811 16.862 9 1HG2 VAL 62 HG21 VAL 62 -22.032 -6.653 20.445 10 2HG2 VAL 62 HG23 VAL 62 -20.586 -7.487 19.878 11 3HG2 VAL 62 HG22 VAL 62 -20.769 -5.754 19.607 12 H GLN 63 HN GLN 63 -22.197 -8.851 16.093 13 HA GLN 63 HA GLN 63 -24.968 -8.496 15.024 14 1HB GLN 63 HB2 GLN 63 -23.913 -8.062 12.845 15 2HB GLN 63 HB1 GLN 63 -23.281 -6.951 14.062 16 1HG GLN 63 HG2 GLN 63 -21.239 -7.637 13.349 17 2HG GLN 63 HG1 GLN 63 -21.565 -9.088 14.299 18 1HE2 GLN 63 HE22 GLN 63 -21.281 -11.026 11.376 19 2HE2 GLN 63 HE21 GLN 63 -20.842 -10.801 13.000 20 H LEU 64 HN LEU 64 -25.953 -10.381 14.501 21 HA LEU 64 HA LEU 64 -24.220 -12.724 13.823 22 1HB LEU 64 HB2 LEU 64 -26.914 -12.548 15.183 23 2HB LEU 64 HB1 LEU 64 -26.297 -14.059 14.514 24 HG LEU 64 HG LEU 64 -24.379 -12.583 16.207 25 1HD1 LEU 64 HD13 LEU 64 -27.057 -12.894 17.124 26 2HD1 LEU 64 HD12 LEU 64 -26.069 -14.079 17.977 27 3HD1 LEU 64 HD11 LEU 64 -25.651 -12.367 18.050 28 1HD2 LEU 64 HD22 LEU 64 -24.282 -14.973 15.154 29 2HD2 LEU 64 HD21 LEU 64 -23.716 -14.758 16.811 30 3HD2 LEU 64 HD23 LEU 64 -25.318 -15.431 16.507 31 H ALA 65 HN ALA 65 -25.737 -14.383 12.495 32 HA ALA 65 HA ALA 65 -26.859 -14.800 10.475 33 1HB ALA 65 HB2 ALA 65 -28.322 -12.763 11.721 34 2HB ALA 65 HB1 ALA 65 -28.044 -12.171 10.083 35 3HB ALA 65 HB3 ALA 65 -28.839 -13.725 10.336 36 H HIS 66 HN HIS 66 -24.266 -13.056 10.806 37 HA HIS 66 HA HIS 66 -24.268 -12.007 8.005 38 1HB HIS 66 HB2 HIS 66 -23.403 -10.833 10.485 39 2HB HIS 66 HB1 HIS 66 -22.011 -11.027 9.418 40 HD1 HIS 66 HD1 HIS 66 -25.270 -9.215 9.737 41 HD2 HIS 66 HD2 HIS 66 -22.155 -9.528 6.983 42 HE1 HIS 66 HE1 HIS 66 -25.612 -7.352 8.056 43 H HIS 67 HN HIS 67 -21.958 -12.091 7.036 44 HA HIS 67 HA HIS 67 -20.121 -14.092 8.010 45 1HB HIS 67 HB2 HIS 67 -22.357 -14.985 6.376 46 2HB HIS 67 HB1 HIS 67 -20.814 -15.331 5.596 47 HD1 HIS 67 HD1 HIS 67 -21.683 -17.888 6.266 48 HD2 HIS 67 HD2 HIS 67 -20.314 -15.452 9.361 49 HE1 HIS 67 HE1 HIS 67 -21.146 -19.426 8.204 50 H PHE 68 HN PHE 68 -21.010 -13.674 4.606 51 HA PHE 68 HA PHE 68 -18.309 -12.725 4.014 52 1HB PHE 68 HB2 PHE 68 -20.764 -13.011 2.254 53 2HB PHE 68 HB1 PHE 68 -19.148 -12.612 1.670 54 HD1 PHE 68 HD2 PHE 68 -17.243 -14.264 2.663 55 HD2 PHE 68 HD1 PHE 68 -21.390 -15.246 2.131 56 HE1 PHE 68 HE2 PHE 68 -16.664 -16.674 2.605 57 HE2 PHE 68 HE1 PHE 68 -20.811 -17.657 2.073 58 HZ PHE 68 HZ PHE 68 -18.448 -18.372 2.310 59 H SER 69 HN SER 69 -17.870 -10.643 2.974 60 HA SER 69 HA SER 69 -19.775 -8.536 3.895 61 1HB SER 69 HB2 SER 69 -17.198 -8.703 4.566 62 2HB SER 69 HB1 SER 69 -16.991 -7.885 3.020 63 HG SER 69 HG SER 69 -18.199 -6.205 3.746 64 H GLU 70 HN GLU 70 -21.117 -8.130 2.169 65 HA GLU 70 HA GLU 70 -20.680 -8.479 -0.538 66 1HB GLU 70 HB2 GLU 70 -22.412 -6.744 1.079 67 2HB GLU 70 HB1 GLU 70 -22.067 -6.092 -0.524 68 1HG GLU 70 HG2 GLU 70 -22.585 -8.920 -0.726 69 2HG GLU 70 HG1 GLU 70 -23.909 -8.135 0.135 70 HA PRO 71 HA PRO 71 -18.723 -4.056 -0.847 71 1HB PRO 71 HB2 PRO 71 -17.728 -3.332 1.746 72 2HB PRO 71 HB1 PRO 71 -18.986 -2.520 0.803 73 1HG PRO 71 HG2 PRO 71 -19.322 -4.104 3.188 74 2HG PRO 71 HG1 PRO 71 -20.575 -3.293 2.239 75 1HD PRO 71 HD2 PRO 71 -20.016 -6.121 2.393 76 2HD PRO 71 HD1 PRO 71 -21.292 -5.308 1.468 77 H GLU 72 HN GLU 72 -17.526 -6.424 -1.270 78 HA GLU 72 HA GLU 72 -15.166 -6.959 0.275 79 1HB GLU 72 HB2 GLU 72 -15.944 -7.660 -2.566 80 2HB GLU 72 HB1 GLU 72 -14.456 -8.228 -1.808 81 1HG GLU 72 HG2 GLU 72 -16.303 -8.837 0.119 82 2HG GLU 72 HG1 GLU 72 -17.243 -9.086 -1.353 83 H ILE 73 HN ILE 73 -15.620 -5.230 -2.827 84 HA ILE 73 HA ILE 73 -12.894 -4.515 -3.171 85 HB ILE 73 HB ILE 73 -14.223 -4.215 -5.068 86 1HG1 ILE 73 HG12 ILE 73 -12.761 -2.171 -4.311 87 2HG1 ILE 73 HG11 ILE 73 -13.842 -2.005 -5.691 88 1HG2 ILE 73 HG23 ILE 73 -16.195 -3.006 -3.150 89 2HG2 ILE 73 HG22 ILE 73 -16.312 -2.642 -4.872 90 3HG2 ILE 73 HG21 ILE 73 -16.428 -4.311 -4.314 91 1HD1 ILE 73 HD12 ILE 73 -15.153 -1.420 -3.131 92 2HD1 ILE 73 HD11 ILE 73 -13.804 -0.340 -3.478 93 3HD1 ILE 73 HD13 ILE 73 -15.137 -0.479 -4.623 94 H THR 74 HN THR 74 -15.529 -2.896 -1.405 95 HA THR 74 HA THR 74 -14.104 -0.493 -0.807 96 HB THR 74 HB THR 74 -15.683 -0.787 1.382 97 HG1 THR 74 HG1 THR 74 -16.154 -2.957 0.454 98 1HG2 THR 74 HG22 THR 74 -16.308 0.037 -1.446 99 2HG2 THR 74 HG21 THR 74 -17.536 0.148 -0.184 100 3HG2 THR 74 HG23 THR 74 -16.032 1.059 -0.035 101 H LEU 75 HN LEU 75 -14.397 -3.556 1.004 102 HA LEU 75 HA LEU 75 -12.638 -2.728 3.131 103 1HB LEU 75 HB2 LEU 75 -14.061 -5.154 2.400 104 2HB LEU 75 HB1 LEU 75 -12.412 -5.532 2.887 105 HG LEU 75 HG LEU 75 -14.539 -4.090 4.478 106 1HD1 LEU 75 HD13 LEU 75 -14.276 -6.641 4.458 107 2HD1 LEU 75 HD12 LEU 75 -12.732 -6.382 5.269 108 3HD1 LEU 75 HD11 LEU 75 -14.230 -5.864 6.040 109 1HD2 LEU 75 HD21 LEU 75 -11.605 -3.800 4.562 110 2HD2 LEU 75 HD23 LEU 75 -12.855 -2.770 5.256 111 3HD2 LEU 75 HD22 LEU 75 -12.329 -4.216 6.116 112 H ILE 76 HN ILE 76 -12.082 -4.652 0.170 113 HA ILE 76 HA ILE 76 -9.335 -5.167 0.613 114 HB ILE 76 HB ILE 76 -10.875 -4.687 -1.954 115 1HG1 ILE 76 HG12 ILE 76 -9.833 -7.175 -0.569 116 2HG1 ILE 76 HG11 ILE 76 -11.524 -6.695 -0.722 117 1HG2 ILE 76 HG23 ILE 76 -8.035 -4.726 -1.532 118 2HG2 ILE 76 HG22 ILE 76 -8.498 -6.187 -2.406 119 3HG2 ILE 76 HG21 ILE 76 -8.915 -4.601 -3.056 120 1HD1 ILE 76 HD11 ILE 76 -11.177 -6.740 -3.246 121 2HD1 ILE 76 HD13 ILE 76 -9.633 -7.532 -2.930 122 3HD1 ILE 76 HD12 ILE 76 -11.140 -8.311 -2.445 123 H ILE 77 HN ILE 77 -10.883 -2.381 -1.037 124 HA ILE 77 HA ILE 77 -8.476 -1.005 -1.641 125 HB ILE 77 HB ILE 77 -11.286 -0.049 -1.079 126 1HG1 ILE 77 HG12 ILE 77 -9.570 -0.044 -3.583 127 2HG1 ILE 77 HG11 ILE 77 -10.761 -1.285 -3.193 128 1HG2 ILE 77 HG22 ILE 77 -8.847 1.598 -1.818 129 2HG2 ILE 77 HG21 ILE 77 -10.508 2.175 -1.951 130 3HG2 ILE 77 HG23 ILE 77 -9.840 1.771 -0.370 131 1HD1 ILE 77 HD12 ILE 77 -12.235 1.000 -2.859 132 2HD1 ILE 77 HD11 ILE 77 -11.167 1.464 -4.183 133 3HD1 ILE 77 HD13 ILE 77 -12.203 0.046 -4.343 134 H PHE 78 HN PHE 78 -10.552 -0.775 1.283 135 HA PHE 78 HA PHE 78 -8.972 1.157 2.642 136 1HB PHE 78 HB2 PHE 78 -10.819 -1.030 3.567 137 2HB PHE 78 HB1 PHE 78 -9.881 -0.118 4.747 138 HD1 PHE 78 HD1 PHE 78 -11.165 1.210 1.527 139 HD2 PHE 78 HD2 PHE 78 -11.650 1.117 5.794 140 HE1 PHE 78 HE1 PHE 78 -12.791 3.077 1.383 141 HE2 PHE 78 HE2 PHE 78 -13.277 2.983 5.650 142 HZ PHE 78 HZ PHE 78 -13.848 3.963 3.444 143 H GLY 79 HN GLY 79 -8.781 -2.417 2.761 144 1HA GLY 79 HA2 GLY 79 -6.571 -2.583 4.537 145 2HA GLY 79 HA1 GLY 79 -6.972 -3.803 3.325 146 H VAL 80 HN VAL 80 -6.676 -2.419 0.993 147 HA VAL 80 HA VAL 80 -3.900 -2.544 0.491 148 HB VAL 80 HB VAL 80 -5.986 -0.956 -1.033 149 1HG1 VAL 80 HG13 VAL 80 -3.155 -1.679 -1.495 150 2HG1 VAL 80 HG12 VAL 80 -4.233 -1.950 -2.863 151 3HG1 VAL 80 HG11 VAL 80 -4.094 -0.341 -2.153 152 1HG2 VAL 80 HG21 VAL 80 -6.144 -3.611 -0.462 153 2HG2 VAL 80 HG23 VAL 80 -6.724 -2.914 -1.975 154 3HG2 VAL 80 HG22 VAL 80 -5.131 -3.667 -1.903 155 H MET 81 HN MET 81 -5.956 0.334 1.051 156 HA MET 81 HA MET 81 -3.917 2.285 0.771 157 1HB MET 81 HB2 MET 81 -6.227 2.368 2.736 158 2HB MET 81 HB1 MET 81 -5.355 3.751 2.075 159 1HG MET 81 HG2 MET 81 -6.294 2.092 -0.084 160 2HG MET 81 HG1 MET 81 -7.640 2.480 0.986 161 1HE MET 81 HE2 MET 81 -8.606 4.269 1.442 162 2HE MET 81 HE1 MET 81 -7.577 5.629 1.886 163 3HE MET 81 HE3 MET 81 -8.660 5.751 0.491 164 H ALA 82 HN ALA 82 -5.001 0.523 3.677 165 HA ALA 82 HA ALA 82 -3.191 1.710 5.503 166 1HB ALA 82 HB1 ALA 82 -4.922 -0.646 5.469 167 2HB ALA 82 HB3 ALA 82 -3.435 -0.926 6.381 168 3HB ALA 82 HB2 ALA 82 -4.494 0.415 6.808 169 H GLY 83 HN GLY 83 -2.750 -1.202 3.442 170 1HA GLY 83 HA2 GLY 83 -0.164 -1.890 4.360 171 2HA GLY 83 HA1 GLY 83 -0.768 -2.230 2.739 172 H VAL 84 HN VAL 84 -1.099 0.313 1.690 173 HA VAL 84 HA VAL 84 1.526 0.992 0.870 174 HB VAL 84 HB VAL 84 -1.014 2.645 0.897 175 1HG1 VAL 84 HG11 VAL 84 1.713 3.439 0.374 176 2HG1 VAL 84 HG13 VAL 84 0.768 3.532 -1.114 177 3HG1 VAL 84 HG12 VAL 84 0.247 4.419 0.319 178 1HG2 VAL 84 HG22 VAL 84 0.183 0.596 -0.856 179 2HG2 VAL 84 HG21 VAL 84 -1.495 1.123 -0.725 180 3HG2 VAL 84 HG23 VAL 84 -0.355 2.045 -1.704 181 H ILE 85 HN ILE 85 -0.536 2.579 3.339 182 HA ILE 85 HA ILE 85 1.315 4.594 4.088 183 HB ILE 85 HB ILE 85 -0.756 3.117 5.735 184 1HG1 ILE 85 HG12 ILE 85 -0.912 5.969 4.809 185 2HG1 ILE 85 HG11 ILE 85 -1.274 4.677 3.665 186 1HG2 ILE 85 HG22 ILE 85 1.199 5.259 6.428 187 2HG2 ILE 85 HG21 ILE 85 -0.447 5.451 7.032 188 3HG2 ILE 85 HG23 ILE 85 0.486 4.014 7.454 189 1HD1 ILE 85 HD11 ILE 85 -2.569 4.915 6.393 190 2HD1 ILE 85 HD13 ILE 85 -3.291 5.534 4.907 191 3HD1 ILE 85 HD12 ILE 85 -3.013 3.803 5.099 192 H GLY 86 HN GLY 86 0.907 1.291 5.396 193 1HA GLY 86 HA2 GLY 86 2.932 1.408 7.364 194 2HA GLY 86 HA1 GLY 86 2.419 -0.071 6.554 195 H THR 87 HN THR 87 3.184 0.414 3.932 196 HA THR 87 HA THR 87 5.939 -0.239 3.960 197 HB THR 87 HB THR 87 4.394 1.064 1.697 198 HG1 THR 87 HG1 THR 87 3.388 -0.816 2.440 199 1HG2 THR 87 HG21 THR 87 6.961 0.905 1.597 200 2HG2 THR 87 HG23 THR 87 6.730 -0.842 1.514 201 3HG2 THR 87 HG22 THR 87 6.067 0.197 0.252 202 H ILE 88 HN ILE 88 4.366 2.910 3.305 203 HA ILE 88 HA ILE 88 6.741 4.396 2.846 204 HB ILE 88 HB ILE 88 4.095 5.208 4.079 205 1HG1 ILE 88 HG12 ILE 88 5.263 5.850 1.359 206 2HG1 ILE 88 HG11 ILE 88 4.247 4.439 1.649 207 1HG2 ILE 88 HG23 ILE 88 6.623 6.641 3.935 208 2HG2 ILE 88 HG22 ILE 88 5.364 7.470 3.020 209 3HG2 ILE 88 HG21 ILE 88 5.120 7.110 4.729 210 1HD1 ILE 88 HD12 ILE 88 3.151 6.955 2.724 211 2HD1 ILE 88 HD11 ILE 88 3.294 6.919 0.966 212 3HD1 ILE 88 HD13 ILE 88 2.352 5.683 1.800 213 H LEU 89 HN LEU 89 4.995 3.749 5.886 214 HA LEU 89 HA LEU 89 6.716 5.185 7.615 215 1HB LEU 89 HB2 LEU 89 5.114 4.480 9.036 216 2HB LEU 89 HB1 LEU 89 4.542 3.312 7.853 217 HG LEU 89 HG LEU 89 6.349 1.742 8.638 218 1HD1 LEU 89 HD12 LEU 89 7.521 3.898 9.727 219 2HD1 LEU 89 HD11 LEU 89 6.604 3.355 11.133 220 3HD1 LEU 89 HD13 LEU 89 7.770 2.273 10.370 221 1HD2 LEU 89 HD21 LEU 89 4.130 2.737 10.402 222 2HD2 LEU 89 HD23 LEU 89 4.262 1.205 9.541 223 3HD2 LEU 89 HD22 LEU 89 5.209 1.479 11.003 224 H LEU 90 HN LEU 90 6.888 1.778 6.545 225 HA LEU 90 HA LEU 90 9.191 1.040 8.033 226 1HB LEU 90 HB2 LEU 90 7.780 -0.546 6.706 227 2HB LEU 90 HB1 LEU 90 8.488 0.112 5.229 228 HG LEU 90 HG LEU 90 10.286 -0.878 7.426 229 1HD1 LEU 90 HD11 LEU 90 8.529 -2.641 6.847 230 2HD1 LEU 90 HD13 LEU 90 9.213 -2.651 5.222 231 3HD1 LEU 90 HD12 LEU 90 10.208 -3.120 6.601 232 1HD2 LEU 90 HD23 LEU 90 10.611 0.211 4.836 233 2HD2 LEU 90 HD22 LEU 90 11.864 -0.478 5.868 234 3HD2 LEU 90 HD21 LEU 90 11.023 -1.497 4.700 235 H ILE 91 HN ILE 91 8.985 2.468 4.755 236 HA ILE 91 HA ILE 91 11.779 2.547 4.244 237 HB ILE 91 HB ILE 91 9.635 4.524 3.395 238 1HG1 ILE 91 HG12 ILE 91 10.825 2.180 1.884 239 2HG1 ILE 91 HG11 ILE 91 9.299 2.095 2.765 240 1HG2 ILE 91 HG23 ILE 91 12.535 4.258 2.812 241 2HG2 ILE 91 HG22 ILE 91 11.491 4.542 1.420 242 3HG2 ILE 91 HG21 ILE 91 11.503 5.687 2.760 243 1HD1 ILE 91 HD11 ILE 91 8.470 4.027 1.392 244 2HD1 ILE 91 HD13 ILE 91 9.950 3.926 0.439 245 3HD1 ILE 91 HD12 ILE 91 8.808 2.582 0.440 246 H SER 92 HN SER 92 9.682 4.977 5.831 247 HA SER 92 HA SER 92 11.727 6.879 6.340 248 1HB SER 92 HB2 SER 92 10.053 6.922 8.593 249 2HB SER 92 HB1 SER 92 9.877 7.899 7.139 250 HG SER 92 HG SER 92 8.019 6.817 7.176 251 H TYR 93 HN TYR 93 10.607 4.116 8.318 252 HA TYR 93 HA TYR 93 12.433 4.449 10.467 253 1HB TYR 93 HB2 TYR 93 10.563 2.829 10.517 254 2HB TYR 93 HB1 TYR 93 11.378 1.856 9.292 255 HD1 TYR 93 HD2 TYR 93 11.474 3.007 12.801 256 HD2 TYR 93 HD1 TYR 93 13.346 0.536 9.828 257 HE1 TYR 93 HE2 TYR 93 12.792 1.875 14.571 258 HE2 TYR 93 HE1 TYR 93 14.665 -0.595 11.597 259 HH TYR 93 HH TYR 93 13.977 -0.186 14.946 260 H GLY 94 HN GLY 94 12.795 2.573 7.437 261 1HA GLY 94 HA2 GLY 94 15.408 1.593 7.925 262 2HA GLY 94 HA1 GLY 94 14.740 1.888 6.318 263 H ILE 95 HN ILE 95 14.349 4.609 6.344 264 HA ILE 95 HA ILE 95 16.936 5.634 5.764 265 HB ILE 95 HB ILE 95 14.254 6.908 6.262 266 1HG1 ILE 95 HG12 ILE 95 15.853 7.622 3.906 267 2HG1 ILE 95 HG11 ILE 95 15.561 5.889 4.040 268 1HG2 ILE 95 HG22 ILE 95 16.909 8.348 6.030 269 2HG2 ILE 95 HG21 ILE 95 15.364 9.119 5.665 270 3HG2 ILE 95 HG23 ILE 95 15.694 8.528 7.294 271 1HD1 ILE 95 HD12 ILE 95 13.408 8.016 4.214 272 2HD1 ILE 95 HD11 ILE 95 13.763 7.064 2.772 273 3HD1 ILE 95 HD13 ILE 95 13.155 6.271 4.227 274 H ARG 96 HN ARG 96 14.935 6.036 8.700 275 HA ARG 96 HA ARG 96 16.729 7.685 10.148 276 1HB ARG 96 HB2 ARG 96 14.379 7.056 10.847 277 2HB ARG 96 HB1 ARG 96 15.016 5.487 11.343 278 1HG ARG 96 HG2 ARG 96 16.347 6.430 13.045 279 2HG ARG 96 HG1 ARG 96 16.250 8.047 12.349 280 1HD ARG 96 HD2 ARG 96 14.797 7.929 14.308 281 2HD ARG 96 HD1 ARG 96 13.806 8.078 12.857 282 HE ARG 96 HE ARG 96 13.986 5.344 13.242 283 1HH1 ARG 96 HH11 ARG 96 14.225 6.689 16.119 284 2HH1 ARG 96 HH12 ARG 96 12.604 6.421 16.670 285 1HH2 ARG 96 HH21 ARG 96 11.394 5.580 13.531 286 2HH2 ARG 96 HH22 ARG 96 11.002 5.794 15.205 287 H ARG 97 HN ARG 97 16.525 4.122 10.029 288 HA ARG 97 HA ARG 97 18.651 3.581 11.817 289 1HB ARG 97 HB2 ARG 97 17.188 1.800 11.022 290 2HB ARG 97 HB1 ARG 97 17.754 2.035 9.367 291 1HG ARG 97 HG2 ARG 97 19.760 0.988 9.757 292 2HG ARG 97 HG1 ARG 97 19.839 1.537 11.432 293 1HD ARG 97 HD2 ARG 97 17.609 -0.307 10.865 294 2HD ARG 97 HD1 ARG 97 19.210 -1.022 10.676 295 HE ARG 97 HE ARG 97 19.367 0.296 13.104 296 1HH1 ARG 97 HH21 ARG 97 16.756 0.053 13.983 297 2HH1 ARG 97 HH22 ARG 97 16.544 -1.599 14.461 298 1HH2 ARG 97 HH11 ARG 97 19.318 -2.735 12.717 299 2HH2 ARG 97 HH12 ARG 97 17.995 -3.178 13.744 300 H LEU 98 HN LEU 98 18.752 4.039 8.272 301 HA LEU 98 HA LEU 98 21.529 3.608 7.947 302 1HB LEU 98 HB2 LEU 98 20.826 3.907 5.824 303 2HB LEU 98 HB1 LEU 98 19.335 4.657 6.381 304 HG LEU 98 HG LEU 98 20.620 6.816 6.640 305 1HD1 LEU 98 HD11 LEU 98 22.835 5.253 6.460 306 2HD1 LEU 98 HD13 LEU 98 22.706 5.806 4.790 307 3HD1 LEU 98 HD12 LEU 98 22.837 6.979 6.101 308 1HD2 LEU 98 HD23 LEU 98 19.720 5.479 4.245 309 2HD2 LEU 98 HD22 LEU 98 19.639 7.195 4.645 310 3HD2 LEU 98 HD21 LEU 98 21.075 6.539 3.857 311 H ILE 99 HN ILE 99 19.767 6.632 8.656 312 HA ILE 99 HA ILE 99 22.188 8.214 8.883 313 HB ILE 99 HB ILE 99 20.663 9.898 9.919 314 1HG1 ILE 99 HG12 ILE 99 18.569 7.731 9.560 315 2HG1 ILE 99 HG11 ILE 99 19.247 8.214 11.113 316 1HG2 ILE 99 HG23 ILE 99 20.537 8.778 7.295 317 2HG2 ILE 99 HG22 ILE 99 18.896 9.213 7.773 318 3HG2 ILE 99 HG21 ILE 99 20.171 10.432 7.788 319 1HD1 ILE 99 HD11 ILE 99 18.528 10.639 10.251 320 2HD1 ILE 99 HD13 ILE 99 17.364 9.691 9.325 321 3HD1 ILE 99 HD12 ILE 99 17.388 9.582 11.085 322 H LYS 100 HN LYS 100 20.499 6.038 10.956 323 HA LYS 100 HA LYS 100 22.033 7.044 13.315 324 1HB LYS 100 HB2 LYS 100 19.478 6.853 13.420 325 2HB LYS 100 HB1 LYS 100 19.713 5.105 13.376 326 1HG LYS 100 HG2 LYS 100 20.050 5.154 15.601 327 2HG LYS 100 HG1 LYS 100 21.530 6.067 15.305 328 1HD LYS 100 HD2 LYS 100 20.548 8.092 15.801 329 2HD LYS 100 HD1 LYS 100 18.956 7.575 15.243 330 1HE LYS 100 HE2 LYS 100 19.227 7.870 17.775 331 2HE LYS 100 HE1 LYS 100 18.547 6.335 17.237 332 1HZ LYS 100 HZ3 LYS 100 21.448 6.691 17.688 333 2HZ LYS 100 HZ2 LYS 100 20.395 6.237 18.941 334 3HZ LYS 100 HZ1 LYS 100 20.570 5.243 17.574 335 H LYS 101 HN LYS 101 23.979 5.934 12.600 336 HA LYS 101 HA LYS 101 25.457 4.108 12.601 337 1HB LYS 101 HB2 LYS 101 24.500 3.845 14.911 338 2HB LYS 101 HB1 LYS 101 23.290 2.753 14.235 339 1HG LYS 101 HG2 LYS 101 25.365 1.501 13.234 340 2HG LYS 101 HG1 LYS 101 26.259 2.356 14.490 341 1HD LYS 101 HD2 LYS 101 23.946 1.350 15.752 342 2HD LYS 101 HD1 LYS 101 24.554 0.036 14.743 343 1HE LYS 101 HE2 LYS 101 25.603 -0.046 16.962 344 2HE LYS 101 HE1 LYS 101 26.808 0.337 15.732 345 1HZ LYS 101 HZ3 LYS 101 25.593 2.706 16.680 346 2HZ LYS 101 HZ2 LYS 101 26.185 1.806 17.993 347 3HZ LYS 101 HZ1 LYS 101 27.227 2.254 16.728 348 1H VAL 62 HT1 VAL 62 -12.021 -6.701 14.051 349 2H VAL 62 HT3 VAL 62 -12.348 -7.243 12.478 350 3H VAL 62 HT2 VAL 62 -11.028 -7.878 13.337 351 HA VAL 62 HA VAL 62 -10.197 -6.327 11.740 352 HB VAL 62 HB VAL 62 -10.968 -4.039 11.665 353 1HG1 VAL 62 HG13 VAL 62 -12.482 -6.183 10.885 354 2HG1 VAL 62 HG12 VAL 62 -13.629 -5.298 11.892 355 3HG1 VAL 62 HG11 VAL 62 -12.873 -4.505 10.510 356 1HG2 VAL 62 HG21 VAL 62 -12.647 -4.832 14.063 357 2HG2 VAL 62 HG23 VAL 62 -11.349 -3.638 14.025 358 3HG2 VAL 62 HG22 VAL 62 -12.860 -3.325 13.171 359 H GLN 63 HN GLN 63 -9.834 -7.253 14.627 360 HA GLN 63 HA GLN 63 -7.851 -5.144 15.339 361 1HB GLN 63 HB2 GLN 63 -8.473 -5.658 17.786 362 2HB GLN 63 HB1 GLN 63 -9.605 -4.665 16.868 363 1HG GLN 63 HG2 GLN 63 -11.236 -6.196 17.112 364 2HG GLN 63 HG1 GLN 63 -10.193 -7.471 16.480 365 1HE2 GLN 63 HE22 GLN 63 -8.974 -8.357 19.799 366 2HE2 GLN 63 HE21 GLN 63 -8.395 -8.146 18.218 367 H LEU 64 HN LEU 64 -5.882 -6.099 15.449 368 HA LEU 64 HA LEU 64 -5.346 -8.831 15.205 369 1HB LEU 64 HB2 LEU 64 -3.844 -6.466 15.789 370 2HB LEU 64 HB1 LEU 64 -3.339 -7.734 16.908 371 HG LEU 64 HG LEU 64 -3.324 -9.239 14.752 372 1HD1 LEU 64 HD12 LEU 64 -3.569 -6.462 13.717 373 2HD1 LEU 64 HD11 LEU 64 -2.378 -7.491 12.920 374 3HD1 LEU 64 HD13 LEU 64 -4.070 -7.985 12.982 375 1HD2 LEU 64 HD21 LEU 64 -1.296 -7.188 15.622 376 2HD2 LEU 64 HD23 LEU 64 -1.271 -8.936 15.854 377 3HD2 LEU 64 HD22 LEU 64 -0.951 -8.255 14.260 378 H ALA 65 HN ALA 65 -6.225 -10.386 16.540 379 HA ALA 65 HA ALA 65 -5.961 -9.925 19.482 380 1HB ALA 65 HB2 ALA 65 -8.335 -10.216 18.082 381 2HB ALA 65 HB1 ALA 65 -8.028 -11.845 18.685 382 3HB ALA 65 HB3 ALA 65 -8.130 -10.493 19.812 383 H HIS 66 HN HIS 66 -4.256 -11.347 17.377 384 HA HIS 66 HA HIS 66 -3.129 -13.402 17.137 385 1HB HIS 66 HB2 HIS 66 -2.819 -12.446 19.688 386 2HB HIS 66 HB1 HIS 66 -3.444 -14.066 19.994 387 HD1 HIS 66 HD1 HIS 66 -1.052 -14.792 20.850 388 HD2 HIS 66 HD2 HIS 66 -1.192 -13.662 16.840 389 HE1 HIS 66 HE1 HIS 66 1.112 -15.592 19.803 390 H HIS 67 HN HIS 67 -5.308 -14.096 16.094 391 HA HIS 67 HA HIS 67 -6.093 -16.645 17.368 392 1HB HIS 67 HB2 HIS 67 -7.696 -14.401 17.715 393 2HB HIS 67 HB1 HIS 67 -8.436 -15.222 16.340 394 HD1 HIS 67 HD1 HIS 67 -10.399 -15.665 18.200 395 HD2 HIS 67 HD2 HIS 67 -6.835 -17.765 18.712 396 HE1 HIS 67 HE1 HIS 67 -10.917 -17.579 19.775 397 H PHE 68 HN PHE 68 -8.162 -17.315 15.628 398 HA PHE 68 HA PHE 68 -6.741 -18.089 13.275 399 1HB PHE 68 HB2 PHE 68 -9.169 -18.499 12.403 400 2HB PHE 68 HB1 PHE 68 -8.595 -19.443 13.777 401 HD1 PHE 68 HD1 PHE 68 -10.178 -16.094 13.133 402 HD2 PHE 68 HD2 PHE 68 -10.016 -19.602 15.608 403 HE1 PHE 68 HE1 PHE 68 -12.026 -15.199 14.524 404 HE2 PHE 68 HE2 PHE 68 -11.864 -18.705 16.999 405 HZ PHE 68 HZ PHE 68 -12.869 -16.505 16.457 406 H SER 69 HN SER 69 -8.199 -17.503 11.059 407 HA SER 69 HA SER 69 -8.246 -14.514 10.960 408 1HB SER 69 HB2 SER 69 -6.968 -16.468 9.043 409 2HB SER 69 HB1 SER 69 -7.389 -14.830 8.555 410 HG SER 69 HG SER 69 -6.055 -14.054 10.205 411 H GLU 70 HN GLU 70 -10.432 -14.151 10.780 412 HA GLU 70 HA GLU 70 -12.278 -15.899 9.454 413 1HB GLU 70 HB2 GLU 70 -12.363 -13.364 10.831 414 2HB GLU 70 HB1 GLU 70 -13.317 -13.270 9.350 415 1HG GLU 70 HG2 GLU 70 -14.850 -14.106 10.932 416 2HG GLU 70 HG1 GLU 70 -14.298 -15.556 10.093 417 HA PRO 71 HA PRO 71 -12.114 -14.858 5.215 418 1HB PRO 71 HB2 PRO 71 -14.754 -13.770 4.886 419 2HB PRO 71 HB1 PRO 71 -14.198 -15.405 4.505 420 1HG PRO 71 HG2 PRO 71 -15.916 -14.597 6.673 421 2HG PRO 71 HG1 PRO 71 -15.338 -16.226 6.300 422 1HD PRO 71 HD2 PRO 71 -14.507 -14.503 8.466 423 2HD PRO 71 HD1 PRO 71 -13.957 -16.152 8.108 424 H GLU 72 HN GLU 72 -14.054 -12.296 6.827 425 HA GLU 72 HA GLU 72 -13.488 -10.172 5.110 426 1HB GLU 72 HB2 GLU 72 -13.669 -8.703 7.184 427 2HB GLU 72 HB1 GLU 72 -15.021 -9.801 6.909 428 1HG GLU 72 HG2 GLU 72 -13.561 -11.435 8.408 429 2HG GLU 72 HG1 GLU 72 -12.877 -9.918 8.994 430 H ILE 73 HN ILE 73 -11.545 -10.987 8.037 431 HA ILE 73 HA ILE 73 -9.499 -9.107 7.540 432 HB ILE 73 HB ILE 73 -9.928 -10.690 9.599 433 1HG1 ILE 73 HG12 ILE 73 -7.110 -10.593 9.546 434 2HG1 ILE 73 HG11 ILE 73 -7.670 -9.224 8.585 435 1HG2 ILE 73 HG23 ILE 73 -9.229 -12.656 7.874 436 2HG2 ILE 73 HG22 ILE 73 -7.645 -12.272 8.542 437 3HG2 ILE 73 HG21 ILE 73 -8.960 -12.765 9.610 438 1HD1 ILE 73 HD11 ILE 73 -9.363 -8.900 10.577 439 2HD1 ILE 73 HD13 ILE 73 -8.170 -9.833 11.480 440 3HD1 ILE 73 HD12 ILE 73 -7.708 -8.306 10.726 441 H THR 74 HN THR 74 -10.023 -12.324 6.198 442 HA THR 74 HA THR 74 -7.450 -12.671 5.008 443 HB THR 74 HB THR 74 -10.086 -13.626 3.859 444 HG1 THR 74 HG1 THR 74 -9.340 -15.534 5.217 445 1HG2 THR 74 HG21 THR 74 -7.819 -13.864 2.625 446 2HG2 THR 74 HG23 THR 74 -7.432 -15.050 3.870 447 3HG2 THR 74 HG22 THR 74 -8.816 -15.307 2.808 448 H LEU 75 HN LEU 75 -10.457 -11.237 3.720 449 HA LEU 75 HA LEU 75 -9.300 -10.516 1.180 450 1HB LEU 75 HB2 LEU 75 -11.700 -10.649 1.362 451 2HB LEU 75 HB1 LEU 75 -11.720 -9.497 2.695 452 HG LEU 75 HG LEU 75 -10.641 -8.740 -0.022 453 1HD1 LEU 75 HD13 LEU 75 -13.471 -8.966 0.935 454 2HD1 LEU 75 HD12 LEU 75 -13.040 -7.595 -0.090 455 3HD1 LEU 75 HD11 LEU 75 -12.810 -9.243 -0.676 456 1HD2 LEU 75 HD22 LEU 75 -11.217 -7.419 2.555 457 2HD2 LEU 75 HD21 LEU 75 -10.119 -6.929 1.265 458 3HD2 LEU 75 HD23 LEU 75 -11.838 -6.551 1.150 459 H ILE 76 HN ILE 76 -9.848 -8.646 4.187 460 HA ILE 76 HA ILE 76 -8.770 -6.201 3.231 461 HB ILE 76 HB ILE 76 -8.840 -7.450 5.986 462 1HG1 ILE 76 HG12 ILE 76 -10.239 -5.025 4.830 463 2HG1 ILE 76 HG11 ILE 76 -10.946 -6.641 4.870 464 1HG2 ILE 76 HG23 ILE 76 -7.305 -5.129 5.027 465 2HG2 ILE 76 HG22 ILE 76 -8.381 -4.754 6.373 466 3HG2 ILE 76 HG21 ILE 76 -7.164 -6.019 6.543 467 1HD1 ILE 76 HD13 ILE 76 -10.006 -6.227 7.472 468 2HD1 ILE 76 HD12 ILE 76 -10.718 -4.681 7.010 469 3HD1 ILE 76 HD11 ILE 76 -11.687 -6.152 6.945 470 H ILE 77 HN ILE 77 -7.147 -8.945 4.844 471 HA ILE 77 HA ILE 77 -4.524 -7.870 4.805 472 HB ILE 77 HB ILE 77 -5.708 -10.607 4.955 473 1HG1 ILE 77 HG12 ILE 77 -4.175 -10.641 6.961 474 2HG1 ILE 77 HG11 ILE 77 -3.714 -8.987 6.560 475 1HG2 ILE 77 HG23 ILE 77 -2.760 -10.112 4.426 476 2HG2 ILE 77 HG22 ILE 77 -3.463 -11.654 4.913 477 3HG2 ILE 77 HG21 ILE 77 -3.873 -10.953 3.347 478 1HD1 ILE 77 HD11 ILE 77 -6.285 -8.531 6.551 479 2HD1 ILE 77 HD13 ILE 77 -6.384 -10.029 7.476 480 3HD1 ILE 77 HD12 ILE 77 -5.453 -8.668 8.100 481 H PHE 78 HN PHE 78 -6.187 -9.882 2.337 482 HA PHE 78 HA PHE 78 -4.018 -10.002 0.509 483 1HB PHE 78 HB2 PHE 78 -6.967 -10.307 0.305 484 2HB PHE 78 HB1 PHE 78 -6.128 -9.915 -1.195 485 HD1 PHE 78 HD2 PHE 78 -4.309 -11.389 -2.044 486 HD2 PHE 78 HD1 PHE 78 -6.685 -12.448 1.375 487 HE1 PHE 78 HE2 PHE 78 -3.538 -13.738 -2.235 488 HE2 PHE 78 HE1 PHE 78 -5.913 -14.796 1.184 489 HZ PHE 78 HZ PHE 78 -4.340 -15.441 -0.621 490 H GLY 79 HN GLY 79 -6.659 -7.583 0.716 491 1HA GLY 79 HA2 GLY 79 -5.773 -5.953 -1.439 492 2HA GLY 79 HA1 GLY 79 -6.697 -5.359 -0.056 493 H VAL 80 HN VAL 80 -4.985 -5.820 2.026 494 HA VAL 80 HA VAL 80 -3.230 -3.602 1.951 495 HB VAL 80 HB VAL 80 -3.040 -6.059 3.719 496 1HG1 VAL 80 HG13 VAL 80 -1.359 -3.815 3.495 497 2HG1 VAL 80 HG12 VAL 80 -2.363 -3.503 4.911 498 3HG1 VAL 80 HG11 VAL 80 -1.398 -4.977 4.820 499 1HG2 VAL 80 HG23 VAL 80 -5.237 -4.485 3.450 500 2HG2 VAL 80 HG22 VAL 80 -4.766 -5.224 4.980 501 3HG2 VAL 80 HG21 VAL 80 -4.337 -3.549 4.642 502 H MET 81 HN MET 81 -2.497 -7.081 1.554 503 HA MET 81 HA MET 81 0.305 -6.824 1.213 504 1HB MET 81 HB2 MET 81 -1.605 -8.786 -0.097 505 2HB MET 81 HB1 MET 81 0.149 -8.962 -0.053 506 1HG MET 81 HG2 MET 81 -1.492 -8.631 2.463 507 2HG MET 81 HG1 MET 81 -1.164 -10.215 1.759 508 1HE MET 81 HE3 MET 81 -0.433 -7.804 4.108 509 2HE MET 81 HE2 MET 81 -0.102 -9.375 4.834 510 3HE MET 81 HE1 MET 81 1.173 -8.161 4.761 511 H ALA 82 HN ALA 82 -2.306 -6.715 -1.216 512 HA ALA 82 HA ALA 82 -0.660 -6.327 -3.486 513 1HB ALA 82 HB2 ALA 82 -3.495 -6.048 -2.860 514 2HB ALA 82 HB1 ALA 82 -2.954 -4.804 -3.991 515 3HB ALA 82 HB3 ALA 82 -2.722 -6.509 -4.374 516 H GLY 83 HN GLY 83 -2.077 -3.869 -1.267 517 1HA GLY 83 HA2 GLY 83 -1.103 -1.588 -2.631 518 2HA GLY 83 HA1 GLY 83 -1.392 -1.659 -0.892 519 H VAL 84 HN VAL 84 0.472 -3.533 -0.063 520 HA VAL 84 HA VAL 84 2.860 -2.012 0.098 521 HB VAL 84 HB VAL 84 2.781 -5.029 0.291 522 1HG1 VAL 84 HG13 VAL 84 4.606 -2.861 1.061 523 2HG1 VAL 84 HG12 VAL 84 4.251 -3.977 2.379 524 3HG1 VAL 84 HG11 VAL 84 4.927 -4.585 0.867 525 1HG2 VAL 84 HG23 VAL 84 1.367 -2.991 1.885 526 2HG2 VAL 84 HG22 VAL 84 1.089 -4.730 1.783 527 3HG2 VAL 84 HG21 VAL 84 2.350 -4.099 2.843 528 H ILE 85 HN ILE 85 2.093 -4.803 -2.012 529 HA ILE 85 HA ILE 85 4.577 -4.921 -3.365 530 HB ILE 85 HB ILE 85 1.790 -5.515 -4.402 531 1HG1 ILE 85 HG12 ILE 85 3.941 -7.406 -3.409 532 2HG1 ILE 85 HG11 ILE 85 2.656 -6.783 -2.372 533 1HG2 ILE 85 HG22 ILE 85 4.510 -5.755 -5.595 534 2HG2 ILE 85 HG21 ILE 85 3.411 -7.112 -5.840 535 3HG2 ILE 85 HG23 ILE 85 2.955 -5.498 -6.386 536 1HD1 ILE 85 HD13 ILE 85 1.531 -7.763 -4.844 537 2HD1 ILE 85 HD12 ILE 85 2.524 -9.015 -4.098 538 3HD1 ILE 85 HD11 ILE 85 1.197 -8.286 -3.193 539 H GLY 86 HN GLY 86 1.641 -3.044 -4.193 540 1HA GLY 86 HA2 GLY 86 2.624 -1.861 -6.567 541 2HA GLY 86 HA1 GLY 86 1.419 -1.118 -5.512 542 H THR 87 HN THR 87 2.861 -0.699 -3.192 543 HA THR 87 HA THR 87 4.272 1.696 -3.741 544 HB THR 87 HB THR 87 4.575 -0.140 -1.344 545 HG1 THR 87 HG1 THR 87 2.444 0.532 -1.676 546 1HG2 THR 87 HG22 THR 87 5.224 2.792 -1.762 547 2HG2 THR 87 HG21 THR 87 5.250 1.977 -0.199 548 3HG2 THR 87 HG23 THR 87 6.381 1.495 -1.464 549 H ILE 88 HN ILE 88 5.521 -1.586 -3.078 550 HA ILE 88 HA ILE 88 8.283 -0.977 -3.270 551 HB ILE 88 HB ILE 88 6.841 -3.505 -4.132 552 1HG1 ILE 88 HG12 ILE 88 8.104 -2.660 -1.503 553 2HG1 ILE 88 HG11 ILE 88 6.390 -2.962 -1.796 554 1HG2 ILE 88 HG21 ILE 88 9.647 -2.686 -4.155 555 2HG2 ILE 88 HG23 ILE 88 9.382 -4.141 -3.194 556 3HG2 ILE 88 HG22 ILE 88 8.887 -4.100 -4.886 557 1HD1 ILE 88 HD11 ILE 88 8.569 -5.042 -2.140 558 2HD1 ILE 88 HD13 ILE 88 7.555 -4.895 -0.705 559 3HD1 ILE 88 HD12 ILE 88 6.830 -5.308 -2.258 560 H LEU 89 HN LEU 89 5.979 -1.963 -5.811 561 HA LEU 89 HA LEU 89 7.803 -1.955 -7.975 562 1HB LEU 89 HB2 LEU 89 5.911 -2.655 -8.983 563 2HB LEU 89 HB1 LEU 89 4.957 -2.130 -7.602 564 HG LEU 89 HG LEU 89 4.947 0.190 -8.573 565 1HD1 LEU 89 HD12 LEU 89 7.021 -0.672 -10.100 566 2HD1 LEU 89 HD11 LEU 89 5.690 -0.889 -11.236 567 3HD1 LEU 89 HD13 LEU 89 6.003 0.700 -10.538 568 1HD2 LEU 89 HD21 LEU 89 3.433 -2.067 -9.276 569 2HD2 LEU 89 HD23 LEU 89 2.979 -0.382 -9.524 570 3HD2 LEU 89 HD22 LEU 89 3.795 -1.274 -10.809 571 H LEU 90 HN LEU 90 5.803 0.709 -6.675 572 HA LEU 90 HA LEU 90 6.617 2.708 -8.527 573 1HB LEU 90 HB2 LEU 90 5.498 2.701 -5.774 574 2HB LEU 90 HB1 LEU 90 6.371 4.160 -6.238 575 HG LEU 90 HG LEU 90 4.172 2.901 -7.902 576 1HD1 LEU 90 HD11 LEU 90 4.148 5.038 -5.782 577 2HD1 LEU 90 HD13 LEU 90 2.991 5.097 -7.111 578 3HD1 LEU 90 HD12 LEU 90 3.017 3.707 -6.027 579 1HD2 LEU 90 HD21 LEU 90 5.809 5.437 -8.083 580 2HD2 LEU 90 HD23 LEU 90 5.579 4.195 -9.315 581 3HD2 LEU 90 HD22 LEU 90 4.254 5.280 -8.900 582 H ILE 91 HN ILE 91 8.085 1.768 -5.404 583 HA ILE 91 HA ILE 91 10.216 3.639 -5.437 584 HB ILE 91 HB ILE 91 10.267 0.793 -4.386 585 1HG1 ILE 91 HG12 ILE 91 9.469 3.406 -3.060 586 2HG1 ILE 91 HG11 ILE 91 8.381 2.078 -3.469 587 1HG2 ILE 91 HG22 ILE 91 12.126 3.093 -4.272 588 2HG2 ILE 91 HG21 ILE 91 11.827 2.292 -2.729 589 3HG2 ILE 91 HG23 ILE 91 12.455 1.370 -4.094 590 1HD1 ILE 91 HD12 ILE 91 10.369 0.810 -2.025 591 2HD1 ILE 91 HD11 ILE 91 10.206 2.356 -1.190 592 3HD1 ILE 91 HD13 ILE 91 8.802 1.305 -1.384 593 H SER 92 HN SER 92 10.101 0.316 -6.782 594 HA SER 92 HA SER 92 12.756 0.292 -7.784 595 1HB SER 92 HB2 SER 92 11.966 -1.430 -9.348 596 2HB SER 92 HB1 SER 92 11.258 -1.696 -7.758 597 HG SER 92 HG SER 92 9.521 -1.755 -9.019 598 H TYR 93 HN TYR 93 9.723 1.362 -9.354 599 HA TYR 93 HA TYR 93 10.884 2.194 -11.812 600 1HB TYR 93 HB2 TYR 93 8.377 2.671 -10.358 601 2HB TYR 93 HB1 TYR 93 8.870 4.037 -11.358 602 HD1 TYR 93 HD1 TYR 93 9.922 0.629 -12.223 603 HD2 TYR 93 HD2 TYR 93 6.995 3.695 -12.923 604 HE1 TYR 93 HE1 TYR 93 9.150 -0.572 -14.249 605 HE2 TYR 93 HE2 TYR 93 6.224 2.493 -14.952 606 HH TYR 93 HH TYR 93 7.086 -0.709 -15.629 607 H GLY 94 HN GLY 94 10.332 4.045 -8.800 608 1HA GLY 94 HA2 GLY 94 11.421 6.508 -9.678 609 2HA GLY 94 HA1 GLY 94 11.399 5.970 -7.997 610 H ILE 95 HN ILE 95 13.010 3.744 -8.077 611 HA ILE 95 HA ILE 95 15.627 4.852 -7.992 612 HB ILE 95 HB ILE 95 14.527 2.061 -8.002 613 1HG1 ILE 95 HG12 ILE 95 14.801 3.548 -5.949 614 2HG1 ILE 95 HG11 ILE 95 15.583 1.970 -5.845 615 1HG2 ILE 95 HG23 ILE 95 16.504 1.942 -9.507 616 2HG2 ILE 95 HG22 ILE 95 17.486 2.689 -8.247 617 3HG2 ILE 95 HG21 ILE 95 16.780 1.094 -7.985 618 1HD1 ILE 95 HD11 ILE 95 17.105 4.347 -6.885 619 2HD1 ILE 95 HD13 ILE 95 16.939 4.088 -5.149 620 3HD1 ILE 95 HD12 ILE 95 17.725 2.868 -6.151 621 H ARG 96 HN ARG 96 14.056 2.902 -10.546 622 HA ARG 96 HA ARG 96 16.232 2.862 -12.365 623 1HB ARG 96 HB2 ARG 96 13.247 2.942 -12.890 624 2HB ARG 96 HB1 ARG 96 14.458 2.614 -14.130 625 1HG ARG 96 HG2 ARG 96 15.082 0.923 -11.950 626 2HG ARG 96 HG1 ARG 96 13.337 0.807 -12.182 627 1HD ARG 96 HD2 ARG 96 14.849 0.792 -14.700 628 2HD ARG 96 HD1 ARG 96 15.222 -0.575 -13.651 629 HE ARG 96 HE ARG 96 12.450 -0.456 -13.639 630 1HH1 ARG 96 HH11 ARG 96 14.597 -2.294 -15.152 631 2HH1 ARG 96 HH12 ARG 96 13.789 -2.420 -16.679 632 1HH2 ARG 96 HH21 ARG 96 11.529 0.119 -15.992 633 2HH2 ARG 96 HH22 ARG 96 12.052 -1.054 -17.154 634 H ARG 97 HN ARG 97 13.578 5.223 -12.034 635 HA ARG 97 HA ARG 97 14.364 6.944 -14.139 636 1HB ARG 97 HB2 ARG 97 12.232 7.021 -12.678 637 2HB ARG 97 HB1 ARG 97 13.202 7.969 -11.551 638 1HG ARG 97 HG2 ARG 97 13.546 8.919 -14.274 639 2HG ARG 97 HG1 ARG 97 11.845 8.936 -13.806 640 1HD ARG 97 HD2 ARG 97 12.753 10.001 -11.585 641 2HD ARG 97 HD1 ARG 97 14.161 10.397 -12.571 642 HE ARG 97 HE ARG 97 12.027 11.274 -14.099 643 1HH1 ARG 97 HH21 ARG 97 10.300 11.937 -11.975 644 2HH1 ARG 97 HH22 ARG 97 10.888 13.441 -11.347 645 1HH2 ARG 97 HH11 ARG 97 14.015 13.134 -12.815 646 2HH2 ARG 97 HH12 ARG 97 12.992 14.118 -11.823 647 H LEU 98 HN LEU 98 15.299 7.028 -10.689 648 HA LEU 98 HA LEU 98 16.946 9.329 -10.819 649 1HB LEU 98 HB2 LEU 98 17.058 6.847 -9.099 650 2HB LEU 98 HB1 LEU 98 18.215 8.163 -8.902 651 HG LEU 98 HG LEU 98 15.217 8.583 -8.853 652 1HD1 LEU 98 HD11 LEU 98 17.161 7.841 -6.688 653 2HD1 LEU 98 HD13 LEU 98 15.804 8.901 -6.307 654 3HD1 LEU 98 HD12 LEU 98 15.507 7.281 -6.938 655 1HD2 LEU 98 HD21 LEU 98 17.504 10.310 -8.924 656 2HD2 LEU 98 HD23 LEU 98 15.801 10.759 -8.814 657 3HD2 LEU 98 HD22 LEU 98 16.735 10.474 -7.346 658 H ILE 99 HN ILE 99 17.793 5.902 -11.341 659 HA ILE 99 HA ILE 99 20.552 6.464 -12.003 660 HB ILE 99 HB ILE 99 20.544 4.121 -12.866 661 1HG1 ILE 99 HG12 ILE 99 17.603 4.218 -12.117 662 2HG1 ILE 99 HG11 ILE 99 18.215 4.212 -13.771 663 1HG2 ILE 99 HG21 ILE 99 19.181 4.595 -10.198 664 2HG2 ILE 99 HG23 ILE 99 19.896 3.061 -10.691 665 3HG2 ILE 99 HG22 ILE 99 20.918 4.484 -10.487 666 1HD1 ILE 99 HD13 ILE 99 19.444 2.054 -13.159 667 2HD1 ILE 99 HD12 ILE 99 18.461 2.028 -11.695 668 3HD1 ILE 99 HD11 ILE 99 17.689 1.937 -13.278 669 H LYS 100 HN LYS 100 17.570 6.121 -13.883 670 HA LYS 100 HA LYS 100 19.139 6.888 -16.314 671 1HB LYS 100 HB2 LYS 100 17.552 4.643 -15.952 672 2HB LYS 100 HB1 LYS 100 16.479 5.760 -16.798 673 1HG LYS 100 HG2 LYS 100 17.764 4.417 -18.411 674 2HG LYS 100 HG1 LYS 100 18.221 6.118 -18.520 675 1HD LYS 100 HD2 LYS 100 20.249 5.759 -17.328 676 2HD LYS 100 HD1 LYS 100 19.731 4.165 -16.779 677 1HE LYS 100 HE2 LYS 100 21.220 3.687 -18.548 678 2HE LYS 100 HE1 LYS 100 19.628 3.553 -19.293 679 1HZ LYS 100 HZ3 LYS 100 20.409 6.224 -19.440 680 2HZ LYS 100 HZ2 LYS 100 21.730 5.291 -19.960 681 3HZ LYS 100 HZ1 LYS 100 20.219 5.123 -20.716 682 H LYS 101 HN LYS 101 18.724 8.935 -16.959 683 HA LYS 101 HA LYS 101 17.505 10.881 -17.476 684 1HB LYS 101 HB2 LYS 101 15.549 8.782 -17.458 685 2HB LYS 101 HB1 LYS 101 14.856 10.206 -16.683 686 1HG LYS 101 HG2 LYS 101 15.280 11.574 -18.591 687 2HG LYS 101 HG1 LYS 101 16.331 10.359 -19.318 688 1HD LYS 101 HD2 LYS 101 14.363 9.995 -20.502 689 2HD LYS 101 HD1 LYS 101 14.165 8.850 -19.175 690 1HE LYS 101 HE2 LYS 101 13.107 11.686 -19.083 691 2HE LYS 101 HE1 LYS 101 12.143 10.314 -19.629 692 1HZ LYS 101 HZ3 LYS 101 13.055 9.336 -17.359 693 2HZ LYS 101 HZ2 LYS 101 13.076 10.985 -16.951 694 3HZ LYS 101 HZ1 LYS 101 11.627 10.248 -17.445 No H/Q in entry = 694 Start of MODEL 14 1 1H VAL 62 HT3 VAL 62 -34.981 -8.295 -10.125 2 2H VAL 62 HT2 VAL 62 -33.652 -8.678 -11.112 3 3H VAL 62 HT1 VAL 62 -34.369 -9.876 -10.145 4 HA VAL 62 HA VAL 62 -32.774 -9.431 -8.673 5 HB VAL 62 HB VAL 62 -31.361 -7.433 -8.824 6 1HG1 VAL 62 HG11 VAL 62 -31.785 -9.339 -10.906 7 2HG1 VAL 62 HG13 VAL 62 -31.422 -7.788 -11.664 8 3HG1 VAL 62 HG12 VAL 62 -30.295 -8.487 -10.501 9 1HG2 VAL 62 HG23 VAL 62 -33.499 -6.050 -9.542 10 2HG2 VAL 62 HG22 VAL 62 -31.898 -5.554 -10.094 11 3HG2 VAL 62 HG21 VAL 62 -32.961 -6.461 -11.170 12 H GLN 63 HN GLN 63 -32.346 -7.636 -6.848 13 HA GLN 63 HA GLN 63 -34.597 -5.894 -6.261 14 1HB GLN 63 HB2 GLN 63 -35.235 -7.174 -4.155 15 2HB GLN 63 HB1 GLN 63 -35.737 -7.923 -5.671 16 1HG GLN 63 HG2 GLN 63 -33.704 -9.355 -5.609 17 2HG GLN 63 HG1 GLN 63 -33.280 -8.649 -4.049 18 1HE2 GLN 63 HE22 GLN 63 -35.442 -10.766 -2.261 19 2HE2 GLN 63 HE21 GLN 63 -34.162 -9.652 -2.226 20 H LEU 64 HN LEU 64 -33.587 -4.232 -5.259 21 HA LEU 64 HA LEU 64 -30.959 -4.394 -4.155 22 1HB LEU 64 HB2 LEU 64 -32.965 -2.369 -4.565 23 2HB LEU 64 HB1 LEU 64 -32.311 -2.218 -2.934 24 HG LEU 64 HG LEU 64 -30.091 -2.737 -4.589 25 1HD1 LEU 64 HD13 LEU 64 -32.147 -0.956 -5.864 26 2HD1 LEU 64 HD12 LEU 64 -30.433 -0.593 -6.073 27 3HD1 LEU 64 HD11 LEU 64 -31.080 -2.142 -6.618 28 1HD2 LEU 64 HD22 LEU 64 -31.143 -0.139 -3.421 29 2HD2 LEU 64 HD21 LEU 64 -30.126 -1.312 -2.583 30 3HD2 LEU 64 HD23 LEU 64 -29.485 -0.412 -3.957 31 H ALA 65 HN ALA 65 -34.030 -5.232 -2.850 32 HA ALA 65 HA ALA 65 -33.608 -4.784 -0.078 33 1HB ALA 65 HB1 ALA 65 -35.117 -7.021 -1.463 34 2HB ALA 65 HB3 ALA 65 -35.243 -6.637 0.253 35 3HB ALA 65 HB2 ALA 65 -35.786 -5.470 -0.954 36 H HIS 66 HN HIS 66 -32.008 -6.915 -2.227 37 HA HIS 66 HA HIS 66 -30.997 -8.538 0.070 38 1HB HIS 66 HB2 HIS 66 -32.097 -9.566 -2.106 39 2HB HIS 66 HB1 HIS 66 -30.496 -9.283 -2.791 40 HD1 HIS 66 HD1 HIS 66 -31.450 -10.460 0.710 41 HD2 HIS 66 HD2 HIS 66 -29.265 -11.753 -2.596 42 HE1 HIS 66 HE1 HIS 66 -30.340 -12.633 1.390 43 H HIS 67 HN HIS 67 -29.195 -7.466 0.810 44 HA HIS 67 HA HIS 67 -26.849 -7.358 -0.891 45 1HB HIS 67 HB2 HIS 67 -26.518 -4.979 -0.972 46 2HB HIS 67 HB1 HIS 67 -28.150 -5.282 -1.569 47 HD1 HIS 67 HD1 HIS 67 -30.119 -4.950 0.258 48 HD2 HIS 67 HD2 HIS 67 -26.415 -3.316 1.256 49 HE1 HIS 67 HE1 HIS 67 -30.545 -3.306 2.137 50 H PHE 68 HN PHE 68 -25.253 -7.917 0.505 51 HA PHE 68 HA PHE 68 -25.111 -6.597 3.144 52 1HB PHE 68 HB2 PHE 68 -24.766 -8.871 4.243 53 2HB PHE 68 HB1 PHE 68 -26.420 -8.511 3.749 54 HD1 PHE 68 HD2 PHE 68 -23.376 -10.444 2.941 55 HD2 PHE 68 HD1 PHE 68 -27.477 -9.688 1.915 56 HE1 PHE 68 HE2 PHE 68 -23.389 -12.465 1.503 57 HE2 PHE 68 HE1 PHE 68 -27.491 -11.709 0.478 58 HZ PHE 68 HZ PHE 68 -25.447 -13.098 0.271 59 H SER 69 HN SER 69 -23.575 -7.100 0.455 60 HA SER 69 HA SER 69 -20.965 -7.652 1.803 61 1HB SER 69 HB2 SER 69 -20.413 -8.455 -0.701 62 2HB SER 69 HB1 SER 69 -21.044 -9.558 0.519 63 HG SER 69 HG SER 69 -22.329 -9.742 -1.281 64 H GLU 70 HN GLU 70 -22.384 -5.117 1.154 65 HA GLU 70 HA GLU 70 -20.986 -3.958 -1.126 66 1HB GLU 70 HB2 GLU 70 -23.199 -3.260 0.496 67 2HB GLU 70 HB1 GLU 70 -22.013 -1.968 0.680 68 1HG GLU 70 HG2 GLU 70 -23.452 -1.471 -1.229 69 2HG GLU 70 HG1 GLU 70 -21.824 -1.833 -1.803 70 HA PRO 71 HA PRO 71 -18.671 -1.625 2.449 71 1HB PRO 71 HB2 PRO 71 -18.802 -3.316 4.782 72 2HB PRO 71 HB1 PRO 71 -19.391 -1.658 4.597 73 1HG PRO 71 HG2 PRO 71 -20.968 -4.045 4.788 74 2HG PRO 71 HG1 PRO 71 -21.545 -2.397 4.507 75 1HD PRO 71 HD2 PRO 71 -21.406 -4.594 2.626 76 2HD PRO 71 HD1 PRO 71 -22.077 -2.971 2.368 77 H GLU 72 HN GLU 72 -18.682 -4.962 1.673 78 HA GLU 72 HA GLU 72 -16.213 -5.805 2.821 79 1HB GLU 72 HB2 GLU 72 -16.263 -7.612 1.257 80 2HB GLU 72 HB1 GLU 72 -17.950 -7.252 1.625 81 1HG GLU 72 HG2 GLU 72 -18.023 -5.801 -0.421 82 2HG GLU 72 HG1 GLU 72 -16.395 -6.353 -0.816 83 H ILE 73 HN ILE 73 -16.889 -4.317 -0.363 84 HA ILE 73 HA ILE 73 -14.178 -4.261 -1.238 85 HB ILE 73 HB ILE 73 -16.279 -3.868 -2.626 86 1HG1 ILE 73 HG12 ILE 73 -15.110 -1.960 -3.940 87 2HG1 ILE 73 HG11 ILE 73 -13.849 -2.097 -2.714 88 1HG2 ILE 73 HG23 ILE 73 -17.255 -2.189 -1.043 89 2HG2 ILE 73 HG22 ILE 73 -15.980 -1.064 -1.509 90 3HG2 ILE 73 HG21 ILE 73 -17.163 -1.601 -2.703 91 1HD1 ILE 73 HD13 ILE 73 -14.551 -4.733 -3.562 92 2HD1 ILE 73 HD12 ILE 73 -14.255 -3.754 -5.001 93 3HD1 ILE 73 HD11 ILE 73 -13.009 -3.900 -3.761 94 H THR 74 HN THR 74 -16.168 -1.855 0.488 95 HA THR 74 HA THR 74 -14.306 0.253 0.586 96 HB THR 74 HB THR 74 -15.810 -0.253 3.090 97 HG1 THR 74 HG1 THR 74 -17.677 0.529 1.573 98 1HG2 THR 74 HG22 THR 74 -15.087 1.968 1.273 99 2HG2 THR 74 HG21 THR 74 -16.669 2.107 2.041 100 3HG2 THR 74 HG23 THR 74 -15.217 1.947 3.032 101 H LEU 75 HN LEU 75 -14.646 -2.498 2.860 102 HA LEU 75 HA LEU 75 -12.420 -1.661 4.500 103 1HB LEU 75 HB2 LEU 75 -14.353 -3.407 4.971 104 2HB LEU 75 HB1 LEU 75 -13.199 -4.549 4.281 105 HG LEU 75 HG LEU 75 -12.822 -2.769 6.698 106 1HD1 LEU 75 HD13 LEU 75 -13.455 -5.561 6.230 107 2HD1 LEU 75 HD12 LEU 75 -11.957 -5.405 7.148 108 3HD1 LEU 75 HD11 LEU 75 -13.441 -4.665 7.748 109 1HD2 LEU 75 HD23 LEU 75 -10.802 -4.241 5.001 110 2HD2 LEU 75 HD22 LEU 75 -10.749 -2.569 5.561 111 3HD2 LEU 75 HD21 LEU 75 -10.496 -3.889 6.702 112 H ILE 76 HN ILE 76 -12.679 -4.100 1.878 113 HA ILE 76 HA ILE 76 -9.975 -4.951 1.986 114 HB ILE 76 HB ILE 76 -11.723 -4.649 -0.481 115 1HG1 ILE 76 HG12 ILE 76 -11.325 -7.116 1.217 116 2HG1 ILE 76 HG11 ILE 76 -12.630 -5.973 1.536 117 1HG2 ILE 76 HG21 ILE 76 -9.221 -5.060 -0.785 118 2HG2 ILE 76 HG23 ILE 76 -9.468 -6.602 0.035 119 3HG2 ILE 76 HG22 ILE 76 -10.287 -6.275 -1.492 120 1HD1 ILE 76 HD12 ILE 76 -13.288 -6.237 -0.909 121 2HD1 ILE 76 HD11 ILE 76 -12.160 -7.589 -0.968 122 3HD1 ILE 76 HD13 ILE 76 -13.553 -7.654 0.108 123 H ILE 77 HN ILE 77 -11.459 -2.302 0.099 124 HA ILE 77 HA ILE 77 -9.065 -1.364 -1.116 125 HB ILE 77 HB ILE 77 -11.705 -0.111 -0.403 126 1HG1 ILE 77 HG12 ILE 77 -11.981 0.010 -2.759 127 2HG1 ILE 77 HG11 ILE 77 -10.251 -0.164 -3.052 128 1HG2 ILE 77 HG23 ILE 77 -9.166 1.331 -1.105 129 2HG2 ILE 77 HG22 ILE 77 -10.698 1.932 -1.740 130 3HG2 ILE 77 HG21 ILE 77 -10.452 1.812 0.003 131 1HD1 ILE 77 HD13 ILE 77 -10.365 -2.481 -2.129 132 2HD1 ILE 77 HD12 ILE 77 -12.110 -2.298 -1.964 133 3HD1 ILE 77 HD11 ILE 77 -11.370 -2.273 -3.563 134 H PHE 78 HN PHE 78 -10.611 -0.475 1.967 135 HA PHE 78 HA PHE 78 -8.720 1.458 2.810 136 1HB PHE 78 HB2 PHE 78 -10.787 -0.190 4.110 137 2HB PHE 78 HB1 PHE 78 -9.442 0.230 5.169 138 HD1 PHE 78 HD2 PHE 78 -8.798 2.633 5.479 139 HD2 PHE 78 HD1 PHE 78 -12.358 1.465 3.382 140 HE1 PHE 78 HE2 PHE 78 -9.697 4.932 5.723 141 HE2 PHE 78 HE1 PHE 78 -13.257 3.763 3.624 142 HZ PHE 78 HZ PHE 78 -11.926 5.497 4.795 143 H GLY 79 HN GLY 79 -8.734 -2.081 3.404 144 1HA GLY 79 HA2 GLY 79 -6.361 -2.164 4.955 145 2HA GLY 79 HA1 GLY 79 -6.929 -3.496 3.945 146 H VAL 80 HN VAL 80 -6.761 -2.419 1.405 147 HA VAL 80 HA VAL 80 -4.010 -2.703 0.771 148 HB VAL 80 HB VAL 80 -6.135 -1.241 -0.822 149 1HG1 VAL 80 HG12 VAL 80 -3.497 -2.526 -1.589 150 2HG1 VAL 80 HG11 VAL 80 -4.703 -1.969 -2.749 151 3HG1 VAL 80 HG13 VAL 80 -3.903 -0.812 -1.684 152 1HG2 VAL 80 HG23 VAL 80 -5.987 -3.961 -0.010 153 2HG2 VAL 80 HG22 VAL 80 -7.084 -3.255 -1.195 154 3HG2 VAL 80 HG21 VAL 80 -5.536 -3.918 -1.715 155 H MET 81 HN MET 81 -5.980 0.256 1.093 156 HA MET 81 HA MET 81 -3.923 2.130 0.537 157 1HB MET 81 HB2 MET 81 -6.362 2.285 2.325 158 2HB MET 81 HB1 MET 81 -5.306 3.668 2.035 159 1HG MET 81 HG2 MET 81 -5.758 3.618 -0.328 160 2HG MET 81 HG1 MET 81 -6.598 2.073 -0.191 161 1HE MET 81 HE3 MET 81 -6.147 5.326 1.292 162 2HE MET 81 HE2 MET 81 -7.624 6.233 0.976 163 3HE MET 81 HE1 MET 81 -7.459 5.327 2.478 164 H ALA 82 HN ALA 82 -4.952 0.712 3.642 165 HA ALA 82 HA ALA 82 -3.097 2.068 5.289 166 1HB ALA 82 HB2 ALA 82 -4.834 -0.277 5.546 167 2HB ALA 82 HB1 ALA 82 -3.343 -0.430 6.479 168 3HB ALA 82 HB3 ALA 82 -4.411 0.948 6.739 169 H GLY 83 HN GLY 83 -2.704 -1.071 3.571 170 1HA GLY 83 HA2 GLY 83 -0.113 -1.656 4.549 171 2HA GLY 83 HA1 GLY 83 -0.727 -2.183 2.980 172 H VAL 84 HN VAL 84 -1.070 0.214 1.643 173 HA VAL 84 HA VAL 84 1.556 0.822 0.758 174 HB VAL 84 HB VAL 84 -0.989 2.461 0.578 175 1HG1 VAL 84 HG11 VAL 84 1.742 2.822 -0.666 176 2HG1 VAL 84 HG13 VAL 84 0.288 3.498 -1.400 177 3HG1 VAL 84 HG12 VAL 84 0.780 4.009 0.215 178 1HG2 VAL 84 HG22 VAL 84 -0.371 0.042 -0.578 179 2HG2 VAL 84 HG21 VAL 84 -1.494 1.218 -1.261 180 3HG2 VAL 84 HG23 VAL 84 0.182 1.180 -1.808 181 H ILE 85 HN ILE 85 -0.549 2.643 3.011 182 HA ILE 85 HA ILE 85 1.231 4.780 3.531 183 HB ILE 85 HB ILE 85 -0.790 3.440 5.350 184 1HG1 ILE 85 HG12 ILE 85 -1.661 4.454 3.245 185 2HG1 ILE 85 HG11 ILE 85 -2.221 5.311 4.681 186 1HG2 ILE 85 HG23 ILE 85 0.814 5.988 5.646 187 2HG2 ILE 85 HG22 ILE 85 -0.686 5.704 6.529 188 3HG2 ILE 85 HG21 ILE 85 0.700 4.643 6.781 189 1HD1 ILE 85 HD12 ILE 85 -0.115 6.807 4.316 190 2HD1 ILE 85 HD11 ILE 85 -0.138 6.152 2.678 191 3HD1 ILE 85 HD13 ILE 85 -1.523 7.062 3.283 192 H GLY 86 HN GLY 86 0.926 1.648 5.247 193 1HA GLY 86 HA2 GLY 86 2.925 2.111 7.194 194 2HA GLY 86 HA1 GLY 86 2.485 0.516 6.587 195 H THR 87 HN THR 87 3.238 0.677 3.936 196 HA THR 87 HA THR 87 6.022 0.170 4.033 197 HB THR 87 HB THR 87 4.344 1.019 1.654 198 HG1 THR 87 HG1 THR 87 3.777 -0.921 2.919 199 1HG2 THR 87 HG22 THR 87 7.135 -0.050 1.961 200 2HG2 THR 87 HG21 THR 87 6.202 -0.442 0.517 201 3HG2 THR 87 HG23 THR 87 6.550 1.241 0.912 202 H ILE 88 HN ILE 88 4.289 3.108 2.953 203 HA ILE 88 HA ILE 88 6.568 4.623 2.222 204 HB ILE 88 HB ILE 88 3.913 5.490 3.394 205 1HG1 ILE 88 HG12 ILE 88 5.032 5.571 0.573 206 2HG1 ILE 88 HG11 ILE 88 3.879 4.377 1.168 207 1HG2 ILE 88 HG23 ILE 88 6.272 7.080 2.395 208 2HG2 ILE 88 HG22 ILE 88 4.635 7.728 2.298 209 3HG2 ILE 88 HG21 ILE 88 5.329 7.317 3.866 210 1HD1 ILE 88 HD11 ILE 88 3.319 7.337 1.347 211 2HD1 ILE 88 HD13 ILE 88 2.912 6.405 -0.094 212 3HD1 ILE 88 HD12 ILE 88 2.175 6.000 1.457 213 H LEU 89 HN LEU 89 4.932 4.394 5.397 214 HA LEU 89 HA LEU 89 6.647 6.184 6.771 215 1HB LEU 89 HB2 LEU 89 5.469 5.576 8.621 216 2HB LEU 89 HB1 LEU 89 4.454 4.710 7.477 217 HG LEU 89 HG LEU 89 6.024 2.708 7.841 218 1HD1 LEU 89 HD11 LEU 89 7.382 4.670 9.387 219 2HD1 LEU 89 HD13 LEU 89 6.735 3.480 10.516 220 3HD1 LEU 89 HD12 LEU 89 7.797 2.966 9.207 221 1HD2 LEU 89 HD23 LEU 89 3.714 3.028 8.833 222 2HD2 LEU 89 HD22 LEU 89 4.784 1.991 9.775 223 3HD2 LEU 89 HD21 LEU 89 4.503 3.657 10.280 224 H LEU 90 HN LEU 90 6.947 2.663 6.286 225 HA LEU 90 HA LEU 90 9.348 2.283 7.752 226 1HB LEU 90 HB2 LEU 90 8.488 0.890 5.196 227 2HB LEU 90 HB1 LEU 90 9.669 0.284 6.358 228 HG LEU 90 HG LEU 90 6.948 1.024 7.363 229 1HD1 LEU 90 HD12 LEU 90 7.326 -0.831 5.236 230 2HD1 LEU 90 HD11 LEU 90 7.011 -1.768 6.697 231 3HD1 LEU 90 HD13 LEU 90 5.859 -0.542 6.172 232 1HD2 LEU 90 HD23 LEU 90 8.991 0.225 8.738 233 2HD2 LEU 90 HD22 LEU 90 7.448 -0.574 9.040 234 3HD2 LEU 90 HD21 LEU 90 8.670 -1.363 8.042 235 H ILE 91 HN ILE 91 8.900 3.125 4.302 236 HA ILE 91 HA ILE 91 11.644 3.212 3.597 237 HB ILE 91 HB ILE 91 9.366 4.944 2.587 238 1HG1 ILE 91 HG12 ILE 91 10.555 2.456 1.339 239 2HG1 ILE 91 HG11 ILE 91 9.163 2.397 2.422 240 1HG2 ILE 91 HG23 ILE 91 12.227 4.634 1.809 241 2HG2 ILE 91 HG22 ILE 91 11.048 4.736 0.501 242 3HG2 ILE 91 HG21 ILE 91 11.171 6.042 1.679 243 1HD1 ILE 91 HD11 ILE 91 8.207 4.261 0.832 244 2HD1 ILE 91 HD13 ILE 91 9.380 3.614 -0.316 245 3HD1 ILE 91 HD12 ILE 91 8.120 2.570 0.341 246 H SER 92 HN SER 92 9.561 5.835 4.884 247 HA SER 92 HA SER 92 11.568 7.843 4.882 248 1HB SER 92 HB2 SER 92 9.594 7.625 7.141 249 2HB SER 92 HB1 SER 92 10.157 9.065 6.297 250 HG SER 92 HG SER 92 8.301 8.781 5.302 251 H TYR 93 HN TYR 93 10.692 5.474 7.417 252 HA TYR 93 HA TYR 93 12.667 6.252 9.302 253 1HB TYR 93 HB2 TYR 93 10.806 4.119 9.011 254 2HB TYR 93 HB1 TYR 93 12.383 3.396 9.334 255 HD1 TYR 93 HD1 TYR 93 13.795 5.013 11.109 256 HD2 TYR 93 HD2 TYR 93 9.540 4.459 10.937 257 HE1 TYR 93 HE1 TYR 93 13.613 5.671 13.493 258 HE2 TYR 93 HE2 TYR 93 9.358 5.114 13.322 259 HH TYR 93 HH TYR 93 11.960 6.544 15.038 260 H GLY 94 HN GLY 94 12.857 3.826 6.675 261 1HA GLY 94 HA2 GLY 94 15.513 2.977 7.145 262 2HA GLY 94 HA1 GLY 94 14.724 2.946 5.568 263 H ILE 95 HN ILE 95 14.342 5.635 5.047 264 HA ILE 95 HA ILE 95 16.904 6.438 4.115 265 HB ILE 95 HB ILE 95 14.389 7.330 3.613 266 1HG1 ILE 95 HG12 ILE 95 15.650 9.334 2.514 267 2HG1 ILE 95 HG11 ILE 95 17.099 8.547 3.142 268 1HG2 ILE 95 HG21 ILE 95 15.700 9.499 5.285 269 2HG2 ILE 95 HG23 ILE 95 14.228 9.686 4.332 270 3HG2 ILE 95 HG22 ILE 95 14.246 8.608 5.725 271 1HD1 ILE 95 HD11 ILE 95 15.177 6.767 1.752 272 2HD1 ILE 95 HD13 ILE 95 16.001 7.945 0.731 273 3HD1 ILE 95 HD12 ILE 95 16.939 6.795 1.684 274 H ARG 96 HN ARG 96 15.105 7.505 7.002 275 HA ARG 96 HA ARG 96 17.003 9.369 7.972 276 1HB ARG 96 HB2 ARG 96 15.093 7.535 9.445 277 2HB ARG 96 HB1 ARG 96 16.033 8.798 10.242 278 1HG ARG 96 HG2 ARG 96 14.785 10.491 9.338 279 2HG ARG 96 HG1 ARG 96 14.519 9.624 7.824 280 1HD ARG 96 HD2 ARG 96 12.425 9.861 9.147 281 2HD ARG 96 HD1 ARG 96 12.874 8.172 8.907 282 HE ARG 96 HE ARG 96 14.048 8.829 11.329 283 1HH1 ARG 96 HH11 ARG 96 11.017 8.084 10.007 284 2HH1 ARG 96 HH12 ARG 96 10.140 8.303 11.485 285 1HH2 ARG 96 HH21 ARG 96 12.870 9.532 13.234 286 2HH2 ARG 96 HH22 ARG 96 11.188 9.123 13.311 287 H ARG 97 HN ARG 97 16.753 5.856 8.599 288 HA ARG 97 HA ARG 97 18.982 5.685 10.336 289 1HB ARG 97 HB2 ARG 97 17.591 3.747 8.527 290 2HB ARG 97 HB1 ARG 97 19.163 3.289 9.181 291 1HG ARG 97 HG2 ARG 97 17.806 2.520 10.886 292 2HG ARG 97 HG1 ARG 97 18.081 4.170 11.450 293 1HD ARG 97 HD2 ARG 97 15.976 4.911 10.529 294 2HD ARG 97 HD1 ARG 97 15.728 3.364 9.720 295 HE ARG 97 HE ARG 97 14.730 3.817 12.224 296 1HH1 ARG 97 HH11 ARG 97 17.071 3.086 13.693 297 2HH1 ARG 97 HH12 ARG 97 17.030 1.355 13.759 298 1HH2 ARG 97 HH21 ARG 97 14.761 1.046 11.154 299 2HH2 ARG 97 HH22 ARG 97 15.722 0.201 12.321 300 H LEU 98 HN LEU 98 18.866 5.389 6.780 301 HA LEU 98 HA LEU 98 21.624 4.903 6.361 302 1HB LEU 98 HB2 LEU 98 19.341 5.712 4.762 303 2HB LEU 98 HB1 LEU 98 20.791 6.580 4.260 304 HG LEU 98 HG LEU 98 21.493 3.847 4.757 305 1HD1 LEU 98 HD13 LEU 98 18.822 4.083 3.884 306 2HD1 LEU 98 HD12 LEU 98 19.755 3.650 2.450 307 3HD1 LEU 98 HD11 LEU 98 19.814 2.625 3.884 308 1HD2 LEU 98 HD21 LEU 98 21.711 5.913 2.695 309 2HD2 LEU 98 HD23 LEU 98 22.859 4.649 3.138 310 3HD2 LEU 98 HD22 LEU 98 21.550 4.296 2.010 311 H ILE 99 HN ILE 99 19.866 7.998 6.556 312 HA ILE 99 HA ILE 99 22.376 9.518 6.432 313 HB ILE 99 HB ILE 99 20.711 11.448 7.036 314 1HG1 ILE 99 HG12 ILE 99 18.586 9.777 5.843 315 2HG1 ILE 99 HG11 ILE 99 19.012 9.344 7.499 316 1HG2 ILE 99 HG23 ILE 99 20.788 9.843 4.484 317 2HG2 ILE 99 HG22 ILE 99 19.817 11.310 4.603 318 3HG2 ILE 99 HG21 ILE 99 21.563 11.386 4.839 319 1HD1 ILE 99 HD13 ILE 99 18.539 12.222 6.737 320 2HD1 ILE 99 HD12 ILE 99 17.189 11.161 7.140 321 3HD1 ILE 99 HD11 ILE 99 18.450 11.475 8.332 322 H LYS 100 HN LYS 100 20.097 10.706 8.743 323 HA LYS 100 HA LYS 100 20.406 11.174 11.022 324 1HB LYS 100 HB2 LYS 100 19.696 8.774 11.039 325 2HB LYS 100 HB1 LYS 100 21.396 8.308 11.019 326 1HG LYS 100 HG2 LYS 100 20.230 8.415 13.320 327 2HG LYS 100 HG1 LYS 100 21.791 9.221 13.169 328 1HD LYS 100 HD2 LYS 100 20.771 11.375 12.989 329 2HD LYS 100 HD1 LYS 100 19.169 10.672 12.752 330 1HE LYS 100 HE2 LYS 100 20.132 9.600 15.179 331 2HE LYS 100 HE1 LYS 100 20.515 11.321 15.226 332 1HZ LYS 100 HZ2 LYS 100 18.064 11.446 14.276 333 2HZ LYS 100 HZ1 LYS 100 17.921 9.993 15.143 334 3HZ LYS 100 HZ3 LYS 100 18.386 11.413 15.943 335 H LYS 101 HN LYS 101 22.696 11.745 9.234 336 HA LYS 101 HA LYS 101 24.913 12.486 9.503 337 1HB LYS 101 HB2 LYS 101 23.695 12.755 12.024 338 2HB LYS 101 HB1 LYS 101 25.229 11.942 12.335 339 1HG LYS 101 HG2 LYS 101 25.857 14.195 12.384 340 2HG LYS 101 HG1 LYS 101 26.213 13.751 10.714 341 1HD LYS 101 HD2 LYS 101 24.212 14.765 9.910 342 2HD LYS 101 HD1 LYS 101 23.547 14.914 11.537 343 1HE LYS 101 HE2 LYS 101 24.415 17.082 10.704 344 2HE LYS 101 HE1 LYS 101 25.299 16.530 12.127 345 1HZ LYS 101 HZ1 LYS 101 26.283 15.738 9.485 346 2HZ LYS 101 HZ3 LYS 101 26.544 17.338 9.984 347 3HZ LYS 101 HZ2 LYS 101 27.146 16.051 10.914 348 1H VAL 62 HT2 VAL 62 -32.749 -10.132 11.008 349 2H VAL 62 HT1 VAL 62 -33.220 -10.258 9.381 350 3H VAL 62 HT3 VAL 62 -34.195 -9.413 10.481 351 HA VAL 62 HA VAL 62 -34.844 -11.361 11.598 352 HB VAL 62 HB VAL 62 -34.722 -12.133 8.674 353 1HG1 VAL 62 HG12 VAL 62 -36.359 -12.857 11.059 354 2HG1 VAL 62 HG11 VAL 62 -37.199 -12.747 9.512 355 3HG1 VAL 62 HG13 VAL 62 -35.844 -13.860 9.704 356 1HG2 VAL 62 HG22 VAL 62 -36.261 -9.969 10.086 357 2HG2 VAL 62 HG21 VAL 62 -35.491 -9.931 8.500 358 3HG2 VAL 62 HG23 VAL 62 -37.001 -10.814 8.725 359 H GLN 63 HN GLN 63 -32.147 -11.921 9.373 360 HA GLN 63 HA GLN 63 -31.713 -14.593 10.603 361 1HB GLN 63 HB2 GLN 63 -30.073 -14.917 8.775 362 2HB GLN 63 HB1 GLN 63 -31.665 -14.493 8.146 363 1HG GLN 63 HG2 GLN 63 -30.994 -12.389 7.473 364 2HG GLN 63 HG1 GLN 63 -29.764 -12.265 8.732 365 1HE2 GLN 63 HE22 GLN 63 -27.229 -13.855 6.795 366 2HE2 GLN 63 HE21 GLN 63 -27.692 -13.390 8.360 367 H LEU 64 HN LEU 64 -29.703 -15.106 11.593 368 HA LEU 64 HA LEU 64 -28.479 -12.970 13.079 369 1HB LEU 64 HB2 LEU 64 -28.582 -15.660 13.398 370 2HB LEU 64 HB1 LEU 64 -26.959 -15.496 12.725 371 HG LEU 64 HG LEU 64 -27.119 -13.424 14.580 372 1HD1 LEU 64 HD11 LEU 64 -29.136 -15.261 15.246 373 2HD1 LEU 64 HD13 LEU 64 -27.800 -15.637 16.333 374 3HD1 LEU 64 HD12 LEU 64 -28.468 -14.006 16.288 375 1HD2 LEU 64 HD23 LEU 64 -25.872 -16.152 14.483 376 2HD2 LEU 64 HD22 LEU 64 -25.095 -14.569 14.448 377 3HD2 LEU 64 HD21 LEU 64 -25.733 -15.206 15.964 378 H ALA 65 HN ALA 65 -26.032 -12.597 12.992 379 HA ALA 65 HA ALA 65 -25.018 -12.764 10.193 380 1HB ALA 65 HB3 ALA 65 -25.928 -10.414 11.338 381 2HB ALA 65 HB2 ALA 65 -24.190 -10.343 11.628 382 3HB ALA 65 HB1 ALA 65 -24.802 -10.518 9.984 383 H HIS 66 HN HIS 66 -22.922 -13.521 10.124 384 HA HIS 66 HA HIS 66 -21.418 -13.555 12.710 385 1HB HIS 66 HB2 HIS 66 -21.682 -15.553 10.489 386 2HB HIS 66 HB1 HIS 66 -20.180 -15.500 11.413 387 HD1 HIS 66 HD1 HIS 66 -22.630 -17.707 11.488 388 HD2 HIS 66 HD2 HIS 66 -21.626 -14.887 14.389 389 HE1 HIS 66 HE1 HIS 66 -23.575 -18.563 13.676 390 H HIS 67 HN HIS 67 -19.358 -12.691 12.698 391 HA HIS 67 HA HIS 67 -18.265 -11.840 10.048 392 1HB HIS 67 HB2 HIS 67 -18.626 -10.279 12.587 393 2HB HIS 67 HB1 HIS 67 -17.273 -9.894 11.523 394 HD1 HIS 67 HD1 HIS 67 -18.158 -9.752 8.824 395 HD2 HIS 67 HD2 HIS 67 -20.865 -8.851 11.863 396 HE1 HIS 67 HE1 HIS 67 -20.011 -8.399 7.752 397 H PHE 68 HN PHE 68 -17.784 -13.999 12.335 398 HA PHE 68 HA PHE 68 -14.856 -13.495 12.620 399 1HB PHE 68 HB2 PHE 68 -16.905 -14.811 14.296 400 2HB PHE 68 HB1 PHE 68 -15.363 -15.663 14.203 401 HD1 PHE 68 HD1 PHE 68 -16.666 -12.162 14.592 402 HD2 PHE 68 HD2 PHE 68 -13.689 -15.052 15.701 403 HE1 PHE 68 HE1 PHE 68 -15.665 -10.525 16.162 404 HE2 PHE 68 HE2 PHE 68 -12.688 -13.415 17.273 405 HZ PHE 68 HZ PHE 68 -13.676 -11.152 17.503 406 H SER 69 HN SER 69 -16.014 -14.446 10.133 407 HA SER 69 HA SER 69 -14.241 -16.491 9.420 408 1HB SER 69 HB2 SER 69 -16.032 -18.398 9.290 409 2HB SER 69 HB1 SER 69 -15.197 -18.110 10.813 410 HG SER 69 HG SER 69 -17.682 -18.214 10.633 411 H GLU 70 HN GLU 70 -14.360 -15.050 7.582 412 HA GLU 70 HA GLU 70 -16.361 -15.904 5.611 413 1HB GLU 70 HB2 GLU 70 -16.622 -13.395 7.068 414 2HB GLU 70 HB1 GLU 70 -16.466 -13.122 5.332 415 1HG GLU 70 HG2 GLU 70 -18.209 -15.118 5.199 416 2HG GLU 70 HG1 GLU 70 -18.601 -14.586 6.834 417 HA PRO 71 HA PRO 71 -13.020 -15.300 2.858 418 1HB PRO 71 HB2 PRO 71 -14.623 -14.245 0.723 419 2HB PRO 71 HB1 PRO 71 -14.048 -15.906 0.927 420 1HG PRO 71 HG2 PRO 71 -16.743 -14.915 1.247 421 2HG PRO 71 HG1 PRO 71 -16.169 -16.578 1.419 422 1HD PRO 71 HD2 PRO 71 -16.990 -14.776 3.510 423 2HD PRO 71 HD1 PRO 71 -16.389 -16.438 3.681 424 H GLU 72 HN GLU 72 -15.224 -12.707 3.587 425 HA GLU 72 HA GLU 72 -14.166 -10.520 2.220 426 1HB GLU 72 HB2 GLU 72 -15.135 -10.713 5.084 427 2HB GLU 72 HB1 GLU 72 -14.778 -9.181 4.284 428 1HG GLU 72 HG2 GLU 72 -16.403 -9.829 2.474 429 2HG GLU 72 HG1 GLU 72 -16.846 -11.232 3.446 430 H ILE 73 HN ILE 73 -13.153 -11.370 5.552 431 HA ILE 73 HA ILE 73 -10.914 -9.748 5.723 432 HB ILE 73 HB ILE 73 -11.943 -11.441 7.438 433 1HG1 ILE 73 HG12 ILE 73 -9.288 -11.638 8.210 434 2HG1 ILE 73 HG11 ILE 73 -9.303 -10.238 7.136 435 1HG2 ILE 73 HG23 ILE 73 -11.403 -13.458 6.072 436 2HG2 ILE 73 HG22 ILE 73 -9.688 -13.099 6.268 437 3HG2 ILE 73 HG21 ILE 73 -10.668 -13.513 7.674 438 1HD1 ILE 73 HD11 ILE 73 -11.564 -10.371 9.031 439 2HD1 ILE 73 HD13 ILE 73 -9.984 -10.130 9.778 440 3HD1 ILE 73 HD12 ILE 73 -10.568 -8.993 8.562 441 H THR 74 HN THR 74 -11.132 -12.944 4.179 442 HA THR 74 HA THR 74 -8.394 -13.318 3.581 443 HB THR 74 HB THR 74 -10.832 -14.101 1.956 444 HG1 THR 74 HG1 THR 74 -11.036 -15.387 3.591 445 1HG2 THR 74 HG22 THR 74 -8.489 -14.061 0.821 446 2HG2 THR 74 HG21 THR 74 -8.140 -15.444 1.858 447 3HG2 THR 74 HG23 THR 74 -9.462 -15.526 0.692 448 H LEU 75 HN LEU 75 -10.903 -11.641 1.661 449 HA LEU 75 HA LEU 75 -9.048 -10.889 -0.428 450 1HB LEU 75 HB2 LEU 75 -11.764 -10.851 -0.253 451 2HB LEU 75 HB1 LEU 75 -11.405 -9.146 0.022 452 HG LEU 75 HG LEU 75 -10.573 -10.839 -2.347 453 1HD1 LEU 75 HD12 LEU 75 -12.868 -9.402 -1.920 454 2HD1 LEU 75 HD11 LEU 75 -11.839 -8.197 -2.697 455 3HD1 LEU 75 HD13 LEU 75 -12.179 -9.725 -3.512 456 1HD2 LEU 75 HD21 LEU 75 -9.538 -8.235 -1.287 457 2HD2 LEU 75 HD23 LEU 75 -8.664 -9.542 -2.087 458 3HD2 LEU 75 HD22 LEU 75 -9.664 -8.440 -3.034 459 H ILE 76 HN ILE 76 -10.377 -9.107 2.386 460 HA ILE 76 HA ILE 76 -9.047 -6.664 1.864 461 HB ILE 76 HB ILE 76 -9.593 -7.898 4.583 462 1HG1 ILE 76 HG12 ILE 76 -11.340 -6.001 2.999 463 2HG1 ILE 76 HG11 ILE 76 -11.554 -7.752 2.954 464 1HG2 ILE 76 HG23 ILE 76 -8.064 -5.828 4.347 465 2HG2 ILE 76 HG22 ILE 76 -9.523 -4.973 3.847 466 3HG2 ILE 76 HG21 ILE 76 -9.434 -5.703 5.450 467 1HD1 ILE 76 HD13 ILE 76 -11.464 -6.228 5.556 468 2HD1 ILE 76 HD12 ILE 76 -12.970 -6.457 4.666 469 3HD1 ILE 76 HD11 ILE 76 -12.077 -7.855 5.268 470 H ILE 77 HN ILE 77 -7.896 -9.487 3.779 471 HA ILE 77 HA ILE 77 -5.361 -8.367 4.428 472 HB ILE 77 HB ILE 77 -4.580 -10.689 4.737 473 1HG1 ILE 77 HG12 ILE 77 -7.250 -11.454 3.525 474 2HG1 ILE 77 HG11 ILE 77 -5.689 -11.662 2.736 475 1HG2 ILE 77 HG23 ILE 77 -6.830 -9.454 5.975 476 2HG2 ILE 77 HG22 ILE 77 -7.161 -11.183 5.872 477 3HG2 ILE 77 HG21 ILE 77 -5.701 -10.611 6.680 478 1HD1 ILE 77 HD13 ILE 77 -4.988 -13.038 4.757 479 2HD1 ILE 77 HD12 ILE 77 -6.682 -13.013 5.251 480 3HD1 ILE 77 HD11 ILE 77 -6.218 -13.773 3.729 481 H PHE 78 HN PHE 78 -6.369 -10.338 1.634 482 HA PHE 78 HA PHE 78 -3.859 -10.422 0.314 483 1HB PHE 78 HB2 PHE 78 -6.709 -10.645 -0.571 484 2HB PHE 78 HB1 PHE 78 -5.478 -10.394 -1.809 485 HD1 PHE 78 HD2 PHE 78 -3.233 -11.867 -1.329 486 HD2 PHE 78 HD1 PHE 78 -7.224 -12.866 -0.096 487 HE1 PHE 78 HE2 PHE 78 -2.591 -14.258 -1.186 488 HE2 PHE 78 HE1 PHE 78 -6.581 -15.257 0.049 489 HZ PHE 78 HZ PHE 78 -4.265 -15.953 -0.497 490 H GLY 79 HN GLY 79 -6.491 -8.012 0.033 491 1HA GLY 79 HA2 GLY 79 -5.253 -6.360 -1.908 492 2HA GLY 79 HA1 GLY 79 -6.395 -5.776 -0.695 493 H VAL 80 HN VAL 80 -5.006 -6.214 1.665 494 HA VAL 80 HA VAL 80 -3.268 -3.978 1.798 495 HB VAL 80 HB VAL 80 -3.449 -6.419 3.581 496 1HG1 VAL 80 HG12 VAL 80 -1.708 -4.023 3.635 497 2HG1 VAL 80 HG11 VAL 80 -2.507 -4.410 5.159 498 3HG1 VAL 80 HG13 VAL 80 -1.471 -5.604 4.379 499 1HG2 VAL 80 HG22 VAL 80 -5.341 -4.505 3.131 500 2HG2 VAL 80 HG21 VAL 80 -5.144 -5.333 4.676 501 3HG2 VAL 80 HG23 VAL 80 -4.420 -3.745 4.428 502 H MET 81 HN MET 81 -2.478 -7.455 1.554 503 HA MET 81 HA MET 81 0.349 -7.172 1.509 504 1HB MET 81 HB2 MET 81 -1.439 -9.195 0.124 505 2HB MET 81 HB1 MET 81 0.315 -9.346 0.249 506 1HG MET 81 HG2 MET 81 -0.066 -9.030 2.803 507 2HG MET 81 HG1 MET 81 -1.743 -9.443 2.447 508 1HE MET 81 HE3 MET 81 -2.633 -11.446 1.642 509 2HE MET 81 HE2 MET 81 -1.696 -11.588 0.157 510 3HE MET 81 HE1 MET 81 -1.805 -12.960 1.257 511 H ALA 82 HN ALA 82 -2.011 -7.191 -1.151 512 HA ALA 82 HA ALA 82 -0.188 -6.843 -3.285 513 1HB ALA 82 HB1 ALA 82 -3.075 -6.597 -2.904 514 2HB ALA 82 HB3 ALA 82 -2.455 -5.414 -4.060 515 3HB ALA 82 HB2 ALA 82 -2.171 -7.134 -4.316 516 H GLY 83 HN GLY 83 -1.846 -4.345 -1.297 517 1HA GLY 83 HA2 GLY 83 -0.842 -2.093 -2.679 518 2HA GLY 83 HA1 GLY 83 -1.259 -2.102 -0.964 519 H VAL 84 HN VAL 84 0.597 -3.883 0.078 520 HA VAL 84 HA VAL 84 2.924 -2.277 0.334 521 HB VAL 84 HB VAL 84 2.718 -5.282 0.706 522 1HG1 VAL 84 HG11 VAL 84 4.993 -3.853 0.689 523 2HG1 VAL 84 HG13 VAL 84 4.483 -3.525 2.346 524 3HG1 VAL 84 HG12 VAL 84 4.736 -5.187 1.814 525 1HG2 VAL 84 HG21 VAL 84 0.993 -4.008 1.967 526 2HG2 VAL 84 HG23 VAL 84 2.183 -4.740 3.044 527 3HG2 VAL 84 HG22 VAL 84 2.265 -3.016 2.678 528 H ILE 85 HN ILE 85 2.382 -5.178 -1.699 529 HA ILE 85 HA ILE 85 4.954 -5.274 -2.889 530 HB ILE 85 HB ILE 85 2.300 -5.947 -4.196 531 1HG1 ILE 85 HG12 ILE 85 4.156 -7.575 -2.433 532 2HG1 ILE 85 HG11 ILE 85 2.500 -7.098 -2.059 533 1HG2 ILE 85 HG21 ILE 85 5.045 -6.078 -5.077 534 2HG2 ILE 85 HG23 ILE 85 4.386 -7.708 -4.943 535 3HG2 ILE 85 HG22 ILE 85 3.581 -6.513 -5.960 536 1HD1 ILE 85 HD12 ILE 85 3.227 -8.787 -4.464 537 2HD1 ILE 85 HD11 ILE 85 2.762 -9.475 -2.907 538 3HD1 ILE 85 HD13 ILE 85 1.617 -8.483 -3.811 539 H GLY 86 HN GLY 86 2.019 -3.537 -3.973 540 1HA GLY 86 HA2 GLY 86 3.101 -2.407 -6.329 541 2HA GLY 86 HA1 GLY 86 1.806 -1.675 -5.380 542 H THR 87 HN THR 87 3.091 -1.102 -2.996 543 HA THR 87 HA THR 87 4.409 1.338 -3.566 544 HB THR 87 HB THR 87 4.764 -0.354 -1.076 545 HG1 THR 87 HG1 THR 87 2.571 0.015 -1.580 546 1HG2 THR 87 HG21 THR 87 5.217 2.541 -1.776 547 2HG2 THR 87 HG23 THR 87 4.901 2.056 -0.111 548 3HG2 THR 87 HG22 THR 87 6.309 1.420 -0.962 549 H ILE 88 HN ILE 88 5.814 -1.843 -2.707 550 HA ILE 88 HA ILE 88 8.537 -1.046 -2.777 551 HB ILE 88 HB ILE 88 7.320 -3.700 -3.609 552 1HG1 ILE 88 HG12 ILE 88 8.560 -2.904 -0.961 553 2HG1 ILE 88 HG11 ILE 88 6.824 -2.831 -1.268 554 1HG2 ILE 88 HG21 ILE 88 10.083 -2.694 -3.439 555 2HG2 ILE 88 HG23 ILE 88 9.813 -4.197 -2.556 556 3HG2 ILE 88 HG22 ILE 88 9.452 -4.109 -4.280 557 1HD1 ILE 88 HD13 ILE 88 8.477 -5.337 -1.662 558 2HD1 ILE 88 HD12 ILE 88 7.608 -4.974 -0.171 559 3HD1 ILE 88 HD11 ILE 88 6.718 -5.202 -1.678 560 H LEU 89 HN LEU 89 6.445 -2.273 -5.393 561 HA LEU 89 HA LEU 89 8.369 -2.166 -7.475 562 1HB LEU 89 HB2 LEU 89 6.584 -3.037 -8.550 563 2HB LEU 89 HB1 LEU 89 5.529 -2.563 -7.225 564 HG LEU 89 HG LEU 89 5.391 -0.267 -8.252 565 1HD1 LEU 89 HD11 LEU 89 7.531 -1.232 -9.789 566 2HD1 LEU 89 HD13 LEU 89 6.171 -1.146 -10.908 567 3HD1 LEU 89 HD12 LEU 89 6.673 0.291 -10.020 568 1HD2 LEU 89 HD22 LEU 89 4.462 -2.739 -9.710 569 2HD2 LEU 89 HD21 LEU 89 3.527 -1.649 -8.686 570 3HD2 LEU 89 HD23 LEU 89 4.033 -1.131 -10.294 571 H LEU 90 HN LEU 90 6.097 0.316 -6.304 572 HA LEU 90 HA LEU 90 6.793 2.386 -8.116 573 1HB LEU 90 HB2 LEU 90 5.947 2.545 -5.205 574 2HB LEU 90 HB1 LEU 90 6.029 3.932 -6.292 575 HG LEU 90 HG LEU 90 4.382 1.455 -6.861 576 1HD1 LEU 90 HD13 LEU 90 3.656 4.079 -5.543 577 2HD1 LEU 90 HD12 LEU 90 2.451 3.045 -6.310 578 3HD1 LEU 90 HD11 LEU 90 3.380 2.446 -4.935 579 1HD2 LEU 90 HD22 LEU 90 5.104 2.855 -8.805 580 2HD2 LEU 90 HD21 LEU 90 3.356 2.863 -8.573 581 3HD2 LEU 90 HD23 LEU 90 4.319 4.245 -8.054 582 H ILE 91 HN ILE 91 8.214 1.560 -4.942 583 HA ILE 91 HA ILE 91 10.136 3.639 -4.844 584 HB ILE 91 HB ILE 91 10.334 0.786 -3.827 585 1HG1 ILE 91 HG12 ILE 91 9.692 3.317 -2.296 586 2HG1 ILE 91 HG11 ILE 91 8.437 2.308 -3.014 587 1HG2 ILE 91 HG23 ILE 91 12.067 3.222 -3.468 588 2HG2 ILE 91 HG22 ILE 91 11.948 2.021 -2.181 589 3HG2 ILE 91 HG21 ILE 91 12.549 1.553 -3.772 590 1HD1 ILE 91 HD12 ILE 91 9.883 0.409 -1.728 591 2HD1 ILE 91 HD11 ILE 91 10.169 1.784 -0.662 592 3HD1 ILE 91 HD13 ILE 91 8.520 1.249 -0.989 593 H SER 92 HN SER 92 10.424 0.361 -6.285 594 HA SER 92 HA SER 92 13.107 0.650 -7.171 595 1HB SER 92 HB2 SER 92 10.947 -0.760 -8.754 596 2HB SER 92 HB1 SER 92 12.664 -1.148 -8.684 597 HG SER 92 HG SER 92 11.083 -2.414 -7.344 598 H TYR 93 HN TYR 93 10.037 1.479 -8.815 599 HA TYR 93 HA TYR 93 11.208 2.550 -11.174 600 1HB TYR 93 HB2 TYR 93 8.642 2.267 -10.246 601 2HB TYR 93 HB1 TYR 93 8.860 4.014 -10.139 602 HD1 TYR 93 HD1 TYR 93 9.740 5.254 -12.204 603 HD2 TYR 93 HD2 TYR 93 8.273 1.217 -12.331 604 HE1 TYR 93 HE1 TYR 93 9.437 5.440 -14.658 605 HE2 TYR 93 HE2 TYR 93 7.970 1.405 -14.785 606 HH TYR 93 HH TYR 93 7.574 3.536 -16.430 607 H GLY 94 HN GLY 94 10.351 4.163 -8.096 608 1HA GLY 94 HA2 GLY 94 11.189 6.773 -8.779 609 2HA GLY 94 HA1 GLY 94 11.156 6.137 -7.137 610 H ILE 95 HN ILE 95 13.101 4.156 -7.220 611 HA ILE 95 HA ILE 95 15.488 5.667 -6.957 612 HB ILE 95 HB ILE 95 15.430 3.558 -5.847 613 1HG1 ILE 95 HG12 ILE 95 17.317 3.484 -8.218 614 2HG1 ILE 95 HG11 ILE 95 17.654 4.115 -6.605 615 1HG2 ILE 95 HG23 ILE 95 15.028 2.309 -8.578 616 2HG2 ILE 95 HG22 ILE 95 15.243 1.421 -7.071 617 3HG2 ILE 95 HG21 ILE 95 13.814 2.427 -7.303 618 1HD1 ILE 95 HD13 ILE 95 17.200 1.786 -5.712 619 2HD1 ILE 95 HD12 ILE 95 17.166 1.230 -7.386 620 3HD1 ILE 95 HD11 ILE 95 18.642 1.926 -6.719 621 H ARG 96 HN ARG 96 14.389 3.639 -9.687 622 HA ARG 96 HA ARG 96 16.651 4.015 -11.360 623 1HB ARG 96 HB2 ARG 96 13.722 3.588 -11.964 624 2HB ARG 96 HB1 ARG 96 14.919 3.748 -13.249 625 1HG ARG 96 HG2 ARG 96 16.087 1.939 -11.483 626 2HG ARG 96 HG1 ARG 96 14.385 1.476 -11.497 627 1HD ARG 96 HD2 ARG 96 16.310 1.623 -13.813 628 2HD ARG 96 HD1 ARG 96 15.292 0.271 -13.311 629 HE ARG 96 HE ARG 96 13.473 2.253 -13.966 630 1HH1 ARG 96 HH11 ARG 96 14.894 -0.294 -15.461 631 2HH1 ARG 96 HH12 ARG 96 14.815 0.332 -17.074 632 1HH2 ARG 96 HH21 ARG 96 13.913 3.527 -16.073 633 2HH2 ARG 96 HH22 ARG 96 14.259 2.496 -17.421 634 H ARG 97 HN ARG 97 13.675 5.975 -11.097 635 HA ARG 97 HA ARG 97 14.340 7.890 -13.069 636 1HB ARG 97 HB2 ARG 97 12.121 7.913 -12.160 637 2HB ARG 97 HB1 ARG 97 12.729 8.133 -10.518 638 1HG ARG 97 HG2 ARG 97 12.738 10.366 -10.779 639 2HG ARG 97 HG1 ARG 97 13.765 10.223 -12.206 640 1HD ARG 97 HD2 ARG 97 11.792 11.276 -12.996 641 2HD ARG 97 HD1 ARG 97 11.620 9.587 -13.477 642 HE ARG 97 HE ARG 97 10.383 9.683 -11.006 643 1HH1 ARG 97 HH21 ARG 97 9.365 12.239 -10.989 644 2HH1 ARG 97 HH22 ARG 97 8.036 12.263 -12.100 645 1HH2 ARG 97 HH11 ARG 97 9.004 9.359 -13.730 646 2HH2 ARG 97 HH12 ARG 97 7.832 10.633 -13.651 647 H LEU 98 HN LEU 98 15.075 7.909 -9.574 648 HA LEU 98 HA LEU 98 16.410 10.406 -9.498 649 1HB LEU 98 HB2 LEU 98 16.658 7.867 -7.896 650 2HB LEU 98 HB1 LEU 98 17.776 9.202 -7.613 651 HG LEU 98 HG LEU 98 14.834 9.771 -7.727 652 1HD1 LEU 98 HD13 LEU 98 16.342 8.595 -5.375 653 2HD1 LEU 98 HD12 LEU 98 14.774 9.389 -5.240 654 3HD1 LEU 98 HD11 LEU 98 14.933 7.906 -6.182 655 1HD2 LEU 98 HD23 LEU 98 17.260 10.925 -6.329 656 2HD2 LEU 98 HD22 LEU 98 16.275 11.683 -7.580 657 3HD2 LEU 98 HD21 LEU 98 15.615 11.443 -5.963 658 H ILE 99 HN ILE 99 17.708 7.149 -10.158 659 HA ILE 99 HA ILE 99 20.376 8.161 -10.725 660 HB ILE 99 HB ILE 99 20.790 5.821 -11.472 661 1HG1 ILE 99 HG12 ILE 99 17.841 5.445 -10.851 662 2HG1 ILE 99 HG11 ILE 99 18.520 5.477 -12.474 663 1HG2 ILE 99 HG21 ILE 99 19.779 6.650 -8.862 664 2HG2 ILE 99 HG23 ILE 99 19.532 4.928 -9.150 665 3HG2 ILE 99 HG22 ILE 99 21.153 5.615 -9.252 666 1HD1 ILE 99 HD12 ILE 99 19.992 3.638 -10.780 667 2HD1 ILE 99 HD11 ILE 99 18.275 3.233 -10.805 668 3HD1 ILE 99 HD13 ILE 99 19.181 3.329 -12.315 669 H LYS 100 HN LYS 100 20.124 6.105 -13.174 670 HA LYS 100 HA LYS 100 20.004 6.368 -15.495 671 1HB LYS 100 HB2 LYS 100 17.552 6.582 -14.737 672 2HB LYS 100 HB1 LYS 100 17.766 8.321 -14.954 673 1HG LYS 100 HG2 LYS 100 17.593 8.135 -17.193 674 2HG LYS 100 HG1 LYS 100 18.817 6.865 -17.234 675 1HD LYS 100 HD2 LYS 100 16.905 5.762 -18.034 676 2HD LYS 100 HD1 LYS 100 16.910 5.335 -16.321 677 1HE LYS 100 HE2 LYS 100 15.156 6.788 -15.814 678 2HE LYS 100 HE1 LYS 100 15.466 7.811 -17.216 679 1HZ LYS 100 HZ1 LYS 100 14.786 5.075 -17.843 680 2HZ LYS 100 HZ3 LYS 100 13.541 5.948 -17.091 681 3HZ LYS 100 HZ2 LYS 100 14.227 6.522 -18.537 682 H LYS 101 HN LYS 101 20.349 7.975 -17.256 683 HA LYS 101 HA LYS 101 21.702 9.739 -18.053 684 1HB LYS 101 HB2 LYS 101 19.653 10.936 -16.230 685 2HB LYS 101 HB1 LYS 101 20.938 11.981 -16.836 686 1HG LYS 101 HG2 LYS 101 20.276 10.760 -19.139 687 2HG LYS 101 HG1 LYS 101 18.720 10.654 -18.314 688 1HD LYS 101 HD2 LYS 101 18.385 12.916 -18.364 689 2HD LYS 101 HD1 LYS 101 20.099 13.278 -18.153 690 1HE LYS 101 HE2 LYS 101 19.023 12.100 -20.718 691 2HE LYS 101 HE1 LYS 101 19.080 13.841 -20.444 692 1HZ LYS 101 HZ2 LYS 101 21.547 12.892 -19.686 693 2HZ LYS 101 HZ1 LYS 101 21.186 12.065 -21.125 694 3HZ LYS 101 HZ3 LYS 101 21.181 13.759 -21.100 No H/Q in entry = 694 Start of MODEL 15 1 1H VAL 62 HT2 VAL 62 -18.200 -19.480 15.815 2 2H VAL 62 HT1 VAL 62 -19.876 -19.669 16.016 3 3H VAL 62 HT3 VAL 62 -18.805 -20.387 17.118 4 HA VAL 62 HA VAL 62 -18.164 -22.037 15.668 5 HB VAL 62 HB VAL 62 -21.055 -21.307 15.148 6 1HG1 VAL 62 HG13 VAL 62 -19.379 -23.224 13.767 7 2HG1 VAL 62 HG12 VAL 62 -20.652 -24.054 14.663 8 3HG1 VAL 62 HG11 VAL 62 -21.071 -22.818 13.476 9 1HG2 VAL 62 HG21 VAL 62 -20.239 -21.990 17.463 10 2HG2 VAL 62 HG23 VAL 62 -21.518 -23.000 16.789 11 3HG2 VAL 62 HG22 VAL 62 -19.847 -23.563 16.769 12 H GLN 63 HN GLN 63 -19.421 -19.201 14.021 13 HA GLN 63 HA GLN 63 -18.829 -18.321 11.925 14 1HB GLN 63 HB2 GLN 63 -16.552 -19.368 12.611 15 2HB GLN 63 HB1 GLN 63 -16.996 -20.695 11.541 16 1HG GLN 63 HG2 GLN 63 -15.583 -18.837 10.497 17 2HG GLN 63 HG1 GLN 63 -17.055 -19.264 9.627 18 1HE2 GLN 63 HE22 GLN 63 -17.032 -15.715 11.730 19 2HE2 GLN 63 HE21 GLN 63 -16.096 -17.013 12.298 20 H LEU 64 HN LEU 64 -18.873 -19.073 9.506 21 HA LEU 64 HA LEU 64 -19.841 -20.382 7.789 22 1HB LEU 64 HB2 LEU 64 -19.475 -22.266 9.777 23 2HB LEU 64 HB1 LEU 64 -21.220 -22.314 9.515 24 HG LEU 64 HG LEU 64 -20.367 -22.229 6.945 25 1HD1 LEU 64 HD13 LEU 64 -18.021 -22.756 8.463 26 2HD1 LEU 64 HD12 LEU 64 -18.462 -24.258 7.651 27 3HD1 LEU 64 HD11 LEU 64 -18.203 -22.791 6.710 28 1HD2 LEU 64 HD22 LEU 64 -21.019 -24.419 8.864 29 2HD2 LEU 64 HD21 LEU 64 -21.854 -23.934 7.387 30 3HD2 LEU 64 HD23 LEU 64 -20.377 -24.893 7.291 31 H ALA 65 HN ALA 65 -21.323 -18.832 10.348 32 HA ALA 65 HA ALA 65 -24.076 -19.288 9.351 33 1HB ALA 65 HB2 ALA 65 -22.871 -18.370 11.851 34 2HB ALA 65 HB1 ALA 65 -24.183 -17.315 11.319 35 3HB ALA 65 HB3 ALA 65 -24.478 -19.037 11.562 36 H HIS 66 HN HIS 66 -21.506 -16.922 9.261 37 HA HIS 66 HA HIS 66 -21.348 -14.854 8.168 38 1HB HIS 66 HB2 HIS 66 -23.060 -16.587 6.520 39 2HB HIS 66 HB1 HIS 66 -23.305 -14.864 6.229 40 HD1 HIS 66 HD1 HIS 66 -21.295 -13.502 5.303 41 HD2 HIS 66 HD2 HIS 66 -20.485 -17.562 5.792 42 HE1 HIS 66 HE1 HIS 66 -19.114 -13.948 4.095 43 H HIS 67 HN HIS 67 -22.707 -12.853 7.548 44 HA HIS 67 HA HIS 67 -25.287 -12.674 8.982 45 1HB HIS 67 HB2 HIS 67 -22.915 -11.923 10.262 46 2HB HIS 67 HB1 HIS 67 -23.593 -10.406 9.673 47 HD1 HIS 67 HD1 HIS 67 -23.551 -11.378 12.730 48 HD2 HIS 67 HD2 HIS 67 -26.819 -11.533 10.146 49 HE1 HIS 67 HE1 HIS 67 -25.618 -11.431 14.192 50 H PHE 68 HN PHE 68 -24.099 -12.384 6.185 51 HA PHE 68 HA PHE 68 -24.330 -10.947 4.342 52 1HB PHE 68 HB2 PHE 68 -26.738 -10.757 5.976 53 2HB PHE 68 HB1 PHE 68 -26.447 -9.274 5.065 54 HD1 PHE 68 HD1 PHE 68 -25.596 -12.814 4.213 55 HD2 PHE 68 HD2 PHE 68 -27.941 -9.348 3.245 56 HE1 PHE 68 HE1 PHE 68 -26.390 -13.929 2.145 57 HE2 PHE 68 HE2 PHE 68 -28.735 -10.463 1.176 58 HZ PHE 68 HZ PHE 68 -27.958 -12.753 0.626 59 H SER 69 HN SER 69 -24.815 -8.362 3.933 60 HA SER 69 HA SER 69 -23.865 -6.227 4.154 61 1HB SER 69 HB2 SER 69 -24.192 -7.113 7.014 62 2HB SER 69 HB1 SER 69 -23.418 -5.576 6.637 63 HG SER 69 HG SER 69 -25.366 -5.221 5.283 64 H GLU 70 HN GLU 70 -21.915 -6.918 3.050 65 HA GLU 70 HA GLU 70 -19.557 -6.923 4.852 66 1HB GLU 70 HB2 GLU 70 -20.519 -9.278 3.663 67 2HB GLU 70 HB1 GLU 70 -19.158 -8.783 2.656 68 1HG GLU 70 HG2 GLU 70 -17.802 -8.508 4.767 69 2HG GLU 70 HG1 GLU 70 -19.144 -9.233 5.652 70 HA PRO 71 HA PRO 71 -19.047 -3.936 1.433 71 1HB PRO 71 HB2 PRO 71 -16.963 -2.778 3.061 72 2HB PRO 71 HB1 PRO 71 -18.546 -2.096 2.665 73 1HG PRO 71 HG2 PRO 71 -17.687 -3.170 5.194 74 2HG PRO 71 HG1 PRO 71 -19.276 -2.514 4.783 75 1HD PRO 71 HD2 PRO 71 -18.571 -5.271 5.229 76 2HD PRO 71 HD1 PRO 71 -20.163 -4.610 4.804 77 H GLU 72 HN GLU 72 -18.054 -5.530 0.064 78 HA GLU 72 HA GLU 72 -15.465 -6.669 0.599 79 1HB GLU 72 HB2 GLU 72 -17.054 -7.717 -0.957 80 2HB GLU 72 HB1 GLU 72 -16.938 -6.322 -2.030 81 1HG GLU 72 HG2 GLU 72 -14.560 -6.751 -2.390 82 2HG GLU 72 HG1 GLU 72 -14.604 -8.087 -1.239 83 H ILE 73 HN ILE 73 -16.073 -4.689 -2.287 84 HA ILE 73 HA ILE 73 -13.494 -3.786 -2.676 85 HB ILE 73 HB ILE 73 -15.626 -3.364 -4.081 86 1HG1 ILE 73 HG12 ILE 73 -14.384 -0.873 -4.448 87 2HG1 ILE 73 HG11 ILE 73 -13.127 -1.938 -3.819 88 1HG2 ILE 73 HG22 ILE 73 -16.488 -1.952 -1.961 89 2HG2 ILE 73 HG21 ILE 73 -15.675 -0.655 -2.837 90 3HG2 ILE 73 HG23 ILE 73 -16.977 -1.562 -3.609 91 1HD1 ILE 73 HD13 ILE 73 -14.549 -3.497 -5.673 92 2HD1 ILE 73 HD12 ILE 73 -14.350 -1.924 -6.447 93 3HD1 ILE 73 HD11 ILE 73 -12.936 -2.815 -5.885 94 H THR 74 HN THR 74 -15.823 -2.584 -0.315 95 HA THR 74 HA THR 74 -14.373 -0.189 0.358 96 HB THR 74 HB THR 74 -15.837 -1.341 2.594 97 HG1 THR 74 HG1 THR 74 -17.190 -1.039 0.121 98 1HG2 THR 74 HG21 THR 74 -15.259 1.110 1.917 99 2HG2 THR 74 HG23 THR 74 -16.682 0.983 0.882 100 3HG2 THR 74 HG22 THR 74 -16.839 0.778 2.626 101 H LEU 75 HN LEU 75 -14.430 -3.450 1.840 102 HA LEU 75 HA LEU 75 -12.376 -2.737 3.773 103 1HB LEU 75 HB2 LEU 75 -13.781 -5.255 2.973 104 2HB LEU 75 HB1 LEU 75 -12.222 -5.417 3.770 105 HG LEU 75 HG LEU 75 -14.729 -4.112 4.836 106 1HD1 LEU 75 HD13 LEU 75 -12.983 -6.460 5.520 107 2HD1 LEU 75 HD12 LEU 75 -13.899 -5.663 6.801 108 3HD1 LEU 75 HD11 LEU 75 -14.743 -6.370 5.424 109 1HD2 LEU 75 HD23 LEU 75 -11.858 -3.663 5.561 110 2HD2 LEU 75 HD22 LEU 75 -13.215 -2.537 5.616 111 3HD2 LEU 75 HD21 LEU 75 -13.035 -3.765 6.871 112 H ILE 76 HN ILE 76 -12.374 -4.636 0.736 113 HA ILE 76 HA ILE 76 -9.608 -5.263 0.771 114 HB ILE 76 HB ILE 76 -11.548 -4.784 -1.502 115 1HG1 ILE 76 HG12 ILE 76 -10.189 -7.264 -0.399 116 2HG1 ILE 76 HG11 ILE 76 -11.872 -6.807 -0.132 117 1HG2 ILE 76 HG22 ILE 76 -8.657 -4.823 -1.592 118 2HG2 ILE 76 HG21 ILE 76 -9.310 -6.218 -2.450 119 3HG2 ILE 76 HG23 ILE 76 -9.801 -4.588 -2.912 120 1HD1 ILE 76 HD12 ILE 76 -11.401 -6.709 -2.939 121 2HD1 ILE 76 HD11 ILE 76 -10.754 -8.239 -2.349 122 3HD1 ILE 76 HD13 ILE 76 -12.442 -7.823 -2.056 123 H ILE 77 HN ILE 77 -11.293 -2.435 -0.632 124 HA ILE 77 HA ILE 77 -8.968 -1.097 -1.570 125 HB ILE 77 HB ILE 77 -11.621 -0.048 -0.555 126 1HG1 ILE 77 HG12 ILE 77 -11.479 -1.423 -2.688 127 2HG1 ILE 77 HG11 ILE 77 -12.136 0.202 -2.893 128 1HG2 ILE 77 HG23 ILE 77 -9.140 1.371 -1.371 129 2HG2 ILE 77 HG22 ILE 77 -10.647 1.979 -2.054 130 3HG2 ILE 77 HG21 ILE 77 -10.439 1.902 -0.304 131 1HD1 ILE 77 HD13 ILE 77 -9.203 0.055 -3.132 132 2HD1 ILE 77 HD12 ILE 77 -10.073 -0.840 -4.378 133 3HD1 ILE 77 HD11 ILE 77 -10.376 0.884 -4.157 134 H PHE 78 HN PHE 78 -10.639 -0.862 1.581 135 HA PHE 78 HA PHE 78 -8.900 1.037 2.771 136 1HB PHE 78 HB2 PHE 78 -10.670 -1.133 3.861 137 2HB PHE 78 HB1 PHE 78 -9.582 -0.272 4.949 138 HD1 PHE 78 HD2 PHE 78 -10.893 1.405 1.965 139 HD2 PHE 78 HD1 PHE 78 -11.478 0.738 6.168 140 HE1 PHE 78 HE2 PHE 78 -12.472 3.315 2.048 141 HE2 PHE 78 HE1 PHE 78 -13.057 2.648 6.252 142 HZ PHE 78 HZ PHE 78 -13.555 3.937 4.192 143 H GLY 79 HN GLY 79 -8.714 -2.533 2.824 144 1HA GLY 79 HA2 GLY 79 -6.382 -2.744 4.407 145 2HA GLY 79 HA1 GLY 79 -6.875 -3.935 3.201 146 H VAL 80 HN VAL 80 -6.678 -2.501 0.852 147 HA VAL 80 HA VAL 80 -3.909 -2.634 0.269 148 HB VAL 80 HB VAL 80 -6.021 -0.996 -1.170 149 1HG1 VAL 80 HG13 VAL 80 -3.309 -0.978 -1.568 150 2HG1 VAL 80 HG12 VAL 80 -3.812 -2.278 -2.650 151 3HG1 VAL 80 HG11 VAL 80 -4.500 -0.665 -2.831 152 1HG2 VAL 80 HG22 VAL 80 -6.313 -3.586 -0.715 153 2HG2 VAL 80 HG21 VAL 80 -6.644 -2.930 -2.316 154 3HG2 VAL 80 HG23 VAL 80 -5.110 -3.739 -1.994 155 H MET 81 HN MET 81 -5.955 0.213 0.959 156 HA MET 81 HA MET 81 -3.913 2.174 0.744 157 1HB MET 81 HB2 MET 81 -6.287 2.114 2.637 158 2HB MET 81 HB1 MET 81 -5.338 3.545 2.232 159 1HG MET 81 HG2 MET 81 -6.184 2.204 -0.183 160 2HG MET 81 HG1 MET 81 -7.579 2.542 0.843 161 1HE MET 81 HE2 MET 81 -7.988 4.418 2.011 162 2HE MET 81 HE1 MET 81 -7.514 6.083 1.686 163 3HE MET 81 HE3 MET 81 -8.712 5.285 0.658 164 H ALA 82 HN ALA 82 -5.004 0.280 3.558 165 HA ALA 82 HA ALA 82 -3.197 1.362 5.447 166 1HB ALA 82 HB2 ALA 82 -4.920 -1.004 5.274 167 2HB ALA 82 HB1 ALA 82 -3.453 -1.295 6.212 168 3HB ALA 82 HB3 ALA 82 -4.543 0.014 6.660 169 H GLY 83 HN GLY 83 -2.744 -1.465 3.255 170 1HA GLY 83 HA2 GLY 83 -0.163 -2.174 4.182 171 2HA GLY 83 HA1 GLY 83 -0.743 -2.455 2.539 172 H VAL 84 HN VAL 84 -1.104 0.106 1.593 173 HA VAL 84 HA VAL 84 1.515 0.891 0.846 174 HB VAL 84 HB VAL 84 -0.994 2.596 0.917 175 1HG1 VAL 84 HG13 VAL 84 1.676 2.867 -0.480 176 2HG1 VAL 84 HG12 VAL 84 0.234 3.722 -1.028 177 3HG1 VAL 84 HG11 VAL 84 0.885 4.033 0.582 178 1HG2 VAL 84 HG22 VAL 84 0.131 0.609 -1.060 179 2HG2 VAL 84 HG21 VAL 84 -1.507 0.704 -0.412 180 3HG2 VAL 84 HG23 VAL 84 -0.951 1.901 -1.581 181 H ILE 85 HN ILE 85 -0.644 2.307 3.334 182 HA ILE 85 HA ILE 85 1.109 4.366 4.164 183 HB ILE 85 HB ILE 85 -1.392 3.542 4.914 184 1HG1 ILE 85 HG12 ILE 85 -0.063 5.260 6.908 185 2HG1 ILE 85 HG11 ILE 85 0.206 5.745 5.233 186 1HG2 ILE 85 HG23 ILE 85 0.460 2.982 7.253 187 2HG2 ILE 85 HG22 ILE 85 -1.297 3.095 7.356 188 3HG2 ILE 85 HG21 ILE 85 -0.551 1.799 6.425 189 1HD1 ILE 85 HD12 ILE 85 -2.556 5.066 6.242 190 2HD1 ILE 85 HD11 ILE 85 -1.888 6.689 6.419 191 3HD1 ILE 85 HD13 ILE 85 -2.108 5.997 4.812 192 H GLY 86 HN GLY 86 0.856 1.005 5.377 193 1HA GLY 86 HA2 GLY 86 2.867 1.189 7.362 194 2HA GLY 86 HA1 GLY 86 2.449 -0.297 6.505 195 H THR 87 HN THR 87 3.154 0.315 3.908 196 HA THR 87 HA THR 87 5.954 -0.127 3.875 197 HB THR 87 HB THR 87 4.267 1.110 1.677 198 HG1 THR 87 HG1 THR 87 3.545 -0.939 2.565 199 1HG2 THR 87 HG22 THR 87 7.016 -0.072 1.829 200 2HG2 THR 87 HG21 THR 87 6.077 -0.287 0.351 201 3HG2 THR 87 HG23 THR 87 6.453 1.336 0.929 202 H ILE 88 HN ILE 88 4.112 2.882 3.332 203 HA ILE 88 HA ILE 88 6.318 4.589 2.849 204 HB ILE 88 HB ILE 88 3.636 5.116 4.154 205 1HG1 ILE 88 HG12 ILE 88 4.751 5.785 1.410 206 2HG1 ILE 88 HG11 ILE 88 3.660 4.443 1.755 207 1HG2 ILE 88 HG21 ILE 88 6.007 6.855 3.797 208 2HG2 ILE 88 HG23 ILE 88 4.477 7.544 3.255 209 3HG2 ILE 88 HG22 ILE 88 4.661 7.006 4.925 210 1HD1 ILE 88 HD13 ILE 88 2.756 7.069 2.766 211 2HD1 ILE 88 HD12 ILE 88 2.821 6.931 1.008 212 3HD1 ILE 88 HD11 ILE 88 1.842 5.803 1.946 213 H LEU 89 HN LEU 89 4.736 3.732 5.934 214 HA LEU 89 HA LEU 89 6.375 5.315 7.614 215 1HB LEU 89 HB2 LEU 89 5.009 4.422 9.169 216 2HB LEU 89 HB1 LEU 89 4.346 3.357 7.938 217 HG LEU 89 HG LEU 89 6.247 1.756 8.432 218 1HD1 LEU 89 HD11 LEU 89 6.911 3.982 10.245 219 2HD1 LEU 89 HD13 LEU 89 6.943 2.395 11.014 220 3HD1 LEU 89 HD12 LEU 89 7.949 2.711 9.600 221 1HD2 LEU 89 HD21 LEU 89 4.331 2.497 10.664 222 2HD2 LEU 89 HD23 LEU 89 4.030 1.354 9.353 223 3HD2 LEU 89 HD22 LEU 89 5.232 0.983 10.589 224 H LEU 90 HN LEU 90 6.840 1.947 6.505 225 HA LEU 90 HA LEU 90 9.283 1.459 7.876 226 1HB LEU 90 HB2 LEU 90 8.055 -0.314 6.678 227 2HB LEU 90 HB1 LEU 90 8.431 0.459 5.138 228 HG LEU 90 HG LEU 90 10.920 0.270 6.255 229 1HD1 LEU 90 HD13 LEU 90 9.945 -1.036 8.160 230 2HD1 LEU 90 HD12 LEU 90 9.433 -2.265 7.004 231 3HD1 LEU 90 HD11 LEU 90 11.151 -1.941 7.244 232 1HD2 LEU 90 HD23 LEU 90 10.201 -0.386 3.957 233 2HD2 LEU 90 HD22 LEU 90 11.268 -1.583 4.692 234 3HD2 LEU 90 HD21 LEU 90 9.531 -1.878 4.621 235 H ILE 91 HN ILE 91 8.737 2.838 4.622 236 HA ILE 91 HA ILE 91 11.463 3.234 3.936 237 HB ILE 91 HB ILE 91 9.029 4.903 3.223 238 1HG1 ILE 91 HG12 ILE 91 10.462 2.809 1.572 239 2HG1 ILE 91 HG11 ILE 91 9.088 2.420 2.607 240 1HG2 ILE 91 HG21 ILE 91 11.901 5.046 2.448 241 2HG2 ILE 91 HG23 ILE 91 10.721 5.232 1.152 242 3HG2 ILE 91 HG22 ILE 91 10.694 6.329 2.533 243 1HD1 ILE 91 HD11 ILE 91 8.072 4.553 1.293 244 2HD1 ILE 91 HD13 ILE 91 9.165 3.935 0.054 245 3HD1 ILE 91 HD12 ILE 91 7.898 2.898 0.710 246 H SER 92 HN SER 92 9.208 5.440 5.630 247 HA SER 92 HA SER 92 11.046 7.573 5.977 248 1HB SER 92 HB2 SER 92 8.869 6.652 7.881 249 2HB SER 92 HB1 SER 92 9.645 8.233 7.901 250 HG SER 92 HG SER 92 7.536 7.824 6.673 251 H TYR 93 HN TYR 93 10.372 4.758 8.077 252 HA TYR 93 HA TYR 93 12.272 5.367 10.095 253 1HB TYR 93 HB2 TYR 93 10.497 3.453 9.969 254 2HB TYR 93 HB1 TYR 93 11.788 2.537 9.192 255 HD1 TYR 93 HD1 TYR 93 14.189 2.927 10.436 256 HD2 TYR 93 HD2 TYR 93 10.314 3.175 12.271 257 HE1 TYR 93 HE1 TYR 93 15.210 2.484 12.652 258 HE2 TYR 93 HE2 TYR 93 11.335 2.730 14.487 259 HH TYR 93 HH TYR 93 13.248 1.899 15.494 260 H GLY 94 HN GLY 94 12.673 3.435 7.100 261 1HA GLY 94 HA2 GLY 94 15.404 2.779 7.473 262 2HA GLY 94 HA1 GLY 94 14.624 2.934 5.896 263 H ILE 95 HN ILE 95 13.927 5.592 5.842 264 HA ILE 95 HA ILE 95 16.354 6.881 5.107 265 HB ILE 95 HB ILE 95 13.577 7.883 5.721 266 1HG1 ILE 95 HG12 ILE 95 14.722 8.658 3.196 267 2HG1 ILE 95 HG11 ILE 95 14.975 6.930 3.440 268 1HG2 ILE 95 HG23 ILE 95 16.069 9.449 5.706 269 2HG2 ILE 95 HG22 ILE 95 14.852 10.041 4.576 270 3HG2 ILE 95 HG21 ILE 95 14.465 9.894 6.290 271 1HD1 ILE 95 HD11 ILE 95 12.284 7.990 4.141 272 2HD1 ILE 95 HD13 ILE 95 12.687 7.929 2.425 273 3HD1 ILE 95 HD12 ILE 95 12.730 6.456 3.392 274 H ARG 96 HN ARG 96 14.422 7.182 8.095 275 HA ARG 96 HA ARG 96 16.067 9.070 9.424 276 1HB ARG 96 HB2 ARG 96 14.272 6.858 10.421 277 2HB ARG 96 HB1 ARG 96 15.182 7.871 11.541 278 1HG ARG 96 HG2 ARG 96 14.117 9.770 9.905 279 2HG ARG 96 HG1 ARG 96 12.843 8.550 9.861 280 1HD ARG 96 HD2 ARG 96 13.859 8.920 12.561 281 2HD ARG 96 HD1 ARG 96 13.264 10.437 11.885 282 HE ARG 96 HE ARG 96 11.271 8.616 11.266 283 1HH1 ARG 96 HH11 ARG 96 12.534 7.453 13.892 284 2HH1 ARG 96 HH12 ARG 96 11.399 8.062 15.050 285 1HH2 ARG 96 HH21 ARG 96 9.974 10.333 12.852 286 2HH2 ARG 96 HH22 ARG 96 9.950 9.693 14.461 287 H ARG 97 HN ARG 97 16.233 5.502 9.458 288 HA ARG 97 HA ARG 97 18.430 5.294 11.222 289 1HB ARG 97 HB2 ARG 97 17.187 3.313 10.585 290 2HB ARG 97 HB1 ARG 97 17.623 3.534 8.891 291 1HG ARG 97 HG2 ARG 97 19.769 2.762 9.197 292 2HG ARG 97 HG1 ARG 97 19.857 3.354 10.857 293 1HD ARG 97 HD2 ARG 97 17.918 1.498 11.154 294 2HD ARG 97 HD1 ARG 97 18.816 0.768 9.821 295 HE ARG 97 HE ARG 97 20.787 1.451 11.641 296 1HH1 ARG 97 HH21 ARG 97 18.908 -1.163 10.953 297 2HH1 ARG 97 HH22 ARG 97 18.952 -1.874 12.532 298 1HH2 ARG 97 HH11 ARG 97 20.388 0.904 14.031 299 2HH2 ARG 97 HH12 ARG 97 19.790 -0.704 14.274 300 H LEU 98 HN LEU 98 18.420 5.562 7.662 301 HA LEU 98 HA LEU 98 21.226 5.449 7.317 302 1HB LEU 98 HB2 LEU 98 20.740 5.798 5.132 303 2HB LEU 98 HB1 LEU 98 19.058 5.732 5.639 304 HG LEU 98 HG LEU 98 19.227 8.260 6.029 305 1HD1 LEU 98 HD11 LEU 98 21.923 7.782 5.567 306 2HD1 LEU 98 HD13 LEU 98 21.370 8.479 4.045 307 3HD1 LEU 98 HD12 LEU 98 21.148 9.365 5.553 308 1HD2 LEU 98 HD22 LEU 98 18.272 6.969 3.977 309 2HD2 LEU 98 HD21 LEU 98 18.590 8.696 3.810 310 3HD2 LEU 98 HD23 LEU 98 19.731 7.522 3.155 311 H ILE 99 HN ILE 99 19.140 8.286 7.871 312 HA ILE 99 HA ILE 99 21.436 10.085 7.949 313 HB ILE 99 HB ILE 99 19.585 11.651 8.997 314 1HG1 ILE 99 HG12 ILE 99 17.649 10.025 7.469 315 2HG1 ILE 99 HG11 ILE 99 18.148 9.314 9.002 316 1HG2 ILE 99 HG22 ILE 99 20.317 10.861 6.309 317 2HG2 ILE 99 HG21 ILE 99 18.631 11.374 6.366 318 3HG2 ILE 99 HG23 ILE 99 19.903 12.460 6.924 319 1HD1 ILE 99 HD13 ILE 99 17.579 12.202 9.140 320 2HD1 ILE 99 HD12 ILE 99 16.180 11.205 8.742 321 3HD1 ILE 99 HD11 ILE 99 17.083 10.904 10.226 322 H LYS 100 HN LYS 100 18.999 9.900 10.538 323 HA LYS 100 HA LYS 100 21.215 10.091 12.494 324 1HB LYS 100 HB2 LYS 100 18.228 10.505 12.659 325 2HB LYS 100 HB1 LYS 100 19.227 10.400 14.109 326 1HG LYS 100 HG2 LYS 100 20.590 12.156 12.376 327 2HG LYS 100 HG1 LYS 100 18.893 12.629 12.295 328 1HD LYS 100 HD2 LYS 100 19.586 12.046 15.027 329 2HD LYS 100 HD1 LYS 100 20.743 13.201 14.364 330 1HE LYS 100 HE2 LYS 100 18.688 14.460 13.447 331 2HE LYS 100 HE1 LYS 100 17.744 13.464 14.553 332 1HZ LYS 100 HZ1 LYS 100 19.813 14.351 16.077 333 2HZ LYS 100 HZ3 LYS 100 19.444 15.697 15.114 334 3HZ LYS 100 HZ2 LYS 100 18.237 14.986 16.076 335 H LYS 101 HN LYS 101 21.901 8.324 13.581 336 HA LYS 101 HA LYS 101 20.232 6.336 14.720 337 1HB LYS 101 HB2 LYS 101 19.916 5.815 12.233 338 2HB LYS 101 HB1 LYS 101 21.607 5.312 12.227 339 1HG LYS 101 HG2 LYS 101 20.411 3.313 12.648 340 2HG LYS 101 HG1 LYS 101 20.976 3.822 14.240 341 1HD LYS 101 HD2 LYS 101 18.384 4.985 13.471 342 2HD LYS 101 HD1 LYS 101 18.360 3.228 13.626 343 1HE LYS 101 HE2 LYS 101 18.842 3.281 15.883 344 2HE LYS 101 HE1 LYS 101 19.755 4.785 15.759 345 1HZ LYS 101 HZ2 LYS 101 17.316 5.602 15.058 346 2HZ LYS 101 HZ1 LYS 101 16.915 4.370 16.157 347 3HZ LYS 101 HZ3 LYS 101 17.905 5.655 16.651 348 1H VAL 62 HT3 VAL 62 6.935 -21.326 2.816 349 2H VAL 62 HT2 VAL 62 7.336 -20.561 4.280 350 3H VAL 62 HT1 VAL 62 7.843 -22.154 3.983 351 HA VAL 62 HA VAL 62 6.057 -22.781 5.136 352 HB VAL 62 HB VAL 62 4.173 -21.199 5.580 353 1HG1 VAL 62 HG12 VAL 62 6.817 -21.099 6.505 354 2HG1 VAL 62 HG11 VAL 62 6.392 -19.417 6.183 355 3HG1 VAL 62 HG13 VAL 62 5.407 -20.380 7.283 356 1HG2 VAL 62 HG22 VAL 62 5.414 -19.851 3.328 357 2HG2 VAL 62 HG21 VAL 62 3.845 -19.548 4.076 358 3HG2 VAL 62 HG23 VAL 62 5.292 -18.767 4.713 359 H GLN 63 HN GLN 63 3.631 -23.269 4.678 360 HA GLN 63 HA GLN 63 3.206 -23.383 1.717 361 1HB GLN 63 HB2 GLN 63 1.926 -25.574 2.355 362 2HB GLN 63 HB1 GLN 63 3.686 -25.617 2.253 363 1HG GLN 63 HG2 GLN 63 3.064 -26.705 4.312 364 2HG GLN 63 HG1 GLN 63 3.751 -25.137 4.736 365 1HE2 GLN 63 HE22 GLN 63 0.823 -24.116 6.385 366 2HE2 GLN 63 HE21 GLN 63 2.498 -23.944 6.174 367 H LEU 64 HN LEU 64 0.968 -23.316 1.050 368 HA LEU 64 HA LEU 64 -0.713 -21.759 2.905 369 1HB LEU 64 HB2 LEU 64 -0.446 -22.013 0.050 370 2HB LEU 64 HB1 LEU 64 -2.119 -22.331 0.514 371 HG LEU 64 HG LEU 64 -1.904 -20.212 1.984 372 1HD1 LEU 64 HD12 LEU 64 0.712 -20.332 1.276 373 2HD1 LEU 64 HD11 LEU 64 0.106 -19.243 0.028 374 3HD1 LEU 64 HD13 LEU 64 -0.097 -18.833 1.731 375 1HD2 LEU 64 HD23 LEU 64 -1.883 -20.094 -1.047 376 2HD2 LEU 64 HD22 LEU 64 -3.296 -20.247 -0.004 377 3HD2 LEU 64 HD21 LEU 64 -2.366 -18.750 -0.013 378 H ALA 65 HN ALA 65 -1.450 -23.302 4.442 379 HA ALA 65 HA ALA 65 -3.219 -25.420 3.292 380 1HB ALA 65 HB1 ALA 65 -1.374 -25.509 5.684 381 2HB ALA 65 HB3 ALA 65 -2.707 -26.647 5.498 382 3HB ALA 65 HB2 ALA 65 -1.415 -26.599 4.299 383 H HIS 66 HN HIS 66 -3.562 -22.540 4.416 384 HA HIS 66 HA HIS 66 -6.163 -22.779 5.424 385 1HB HIS 66 HB2 HIS 66 -4.133 -23.484 7.387 386 2HB HIS 66 HB1 HIS 66 -5.096 -22.109 7.925 387 HD1 HIS 66 HD1 HIS 66 -5.361 -24.973 9.200 388 HD2 HIS 66 HD2 HIS 66 -7.849 -23.453 6.221 389 HE1 HIS 66 HE1 HIS 66 -7.531 -26.273 9.346 390 H HIS 67 HN HIS 67 -7.039 -20.716 5.737 391 HA HIS 67 HA HIS 67 -5.116 -18.453 5.987 392 1HB HIS 67 HB2 HIS 67 -6.641 -19.145 3.638 393 2HB HIS 67 HB1 HIS 67 -7.187 -17.588 4.263 394 HD1 HIS 67 HD1 HIS 67 -3.738 -19.217 3.930 395 HD2 HIS 67 HD2 HIS 67 -5.666 -15.617 3.088 396 HE1 HIS 67 HE1 HIS 67 -1.990 -17.685 2.925 397 H PHE 68 HN PHE 68 -5.971 -18.448 8.210 398 HA PHE 68 HA PHE 68 -7.482 -17.766 9.879 399 1HB PHE 68 HB2 PHE 68 -8.199 -15.831 7.653 400 2HB PHE 68 HB1 PHE 68 -8.662 -15.641 9.345 401 HD1 PHE 68 HD2 PHE 68 -6.219 -16.599 10.727 402 HD2 PHE 68 HD1 PHE 68 -6.657 -14.077 7.277 403 HE1 PHE 68 HE2 PHE 68 -4.024 -15.552 11.213 404 HE2 PHE 68 HE1 PHE 68 -4.462 -13.031 7.763 405 HZ PHE 68 HZ PHE 68 -3.145 -13.769 9.731 406 H SER 69 HN SER 69 -10.060 -16.915 9.900 407 HA SER 69 HA SER 69 -11.558 -18.958 8.313 408 1HB SER 69 HB2 SER 69 -12.669 -18.312 10.964 409 2HB SER 69 HB1 SER 69 -12.496 -19.874 10.168 410 HG SER 69 HG SER 69 -10.170 -19.584 10.638 411 H GLU 70 HN GLU 70 -11.114 -15.751 8.811 412 HA GLU 70 HA GLU 70 -14.004 -15.118 8.380 413 1HB GLU 70 HB2 GLU 70 -12.068 -14.002 10.168 414 2HB GLU 70 HB1 GLU 70 -12.510 -12.765 8.991 415 1HG GLU 70 HG2 GLU 70 -14.485 -12.460 10.020 416 2HG GLU 70 HG1 GLU 70 -14.886 -14.161 9.784 417 HA PRO 71 HA PRO 71 -12.463 -14.281 4.248 418 1HB PRO 71 HB2 PRO 71 -15.045 -13.194 3.588 419 2HB PRO 71 HB1 PRO 71 -14.365 -14.754 3.109 420 1HG PRO 71 HG2 PRO 71 -16.461 -14.270 5.024 421 2HG PRO 71 HG1 PRO 71 -15.763 -15.825 4.553 422 1HD PRO 71 HD2 PRO 71 -15.397 -14.408 7.038 423 2HD PRO 71 HD1 PRO 71 -14.702 -15.969 6.560 424 H GLU 72 HN GLU 72 -14.151 -12.046 6.386 425 HA GLU 72 HA GLU 72 -13.740 -9.664 4.855 426 1HB GLU 72 HB2 GLU 72 -13.991 -8.490 7.072 427 2HB GLU 72 HB1 GLU 72 -15.294 -9.621 6.707 428 1HG GLU 72 HG2 GLU 72 -13.609 -11.296 7.989 429 2HG GLU 72 HG1 GLU 72 -13.167 -9.783 8.780 430 H ILE 73 HN ILE 73 -11.805 -10.971 7.595 431 HA ILE 73 HA ILE 73 -9.730 -9.019 7.300 432 HB ILE 73 HB ILE 73 -10.195 -10.502 9.327 433 1HG1 ILE 73 HG12 ILE 73 -7.711 -10.779 9.783 434 2HG1 ILE 73 HG11 ILE 73 -7.435 -10.235 8.127 435 1HG2 ILE 73 HG23 ILE 73 -8.749 -12.480 7.539 436 2HG2 ILE 73 HG22 ILE 73 -8.948 -12.690 9.279 437 3HG2 ILE 73 HG21 ILE 73 -10.363 -12.654 8.228 438 1HD1 ILE 73 HD11 ILE 73 -9.270 -8.406 9.220 439 2HD1 ILE 73 HD13 ILE 73 -8.056 -8.659 10.474 440 3HD1 ILE 73 HD12 ILE 73 -7.565 -8.114 8.869 441 H THR 74 HN THR 74 -10.349 -12.156 5.833 442 HA THR 74 HA THR 74 -7.760 -12.604 4.716 443 HB THR 74 HB THR 74 -10.506 -13.417 3.713 444 HG1 THR 74 HG1 THR 74 -9.993 -14.315 5.689 445 1HG2 THR 74 HG23 THR 74 -8.684 -13.401 1.959 446 2HG2 THR 74 HG22 THR 74 -7.816 -14.574 2.949 447 3HG2 THR 74 HG21 THR 74 -9.389 -14.987 2.271 448 H LEU 75 HN LEU 75 -10.639 -10.965 3.367 449 HA LEU 75 HA LEU 75 -9.318 -10.241 0.900 450 1HB LEU 75 HB2 LEU 75 -11.888 -9.582 2.229 451 2HB LEU 75 HB1 LEU 75 -11.253 -8.329 1.170 452 HG LEU 75 HG LEU 75 -11.890 -11.198 0.447 453 1HD1 LEU 75 HD12 LEU 75 -12.919 -8.475 -0.380 454 2HD1 LEU 75 HD11 LEU 75 -13.248 -9.934 -1.317 455 3HD1 LEU 75 HD13 LEU 75 -13.827 -9.804 0.344 456 1HD2 LEU 75 HD22 LEU 75 -10.075 -9.207 -0.823 457 2HD2 LEU 75 HD21 LEU 75 -10.030 -10.968 -0.888 458 3HD2 LEU 75 HD23 LEU 75 -11.165 -10.077 -1.902 459 H ILE 76 HN ILE 76 -9.954 -8.431 3.926 460 HA ILE 76 HA ILE 76 -8.746 -6.002 3.099 461 HB ILE 76 HB ILE 76 -8.881 -7.320 5.827 462 1HG1 ILE 76 HG12 ILE 76 -10.367 -4.897 4.798 463 2HG1 ILE 76 HG11 ILE 76 -10.993 -6.536 4.604 464 1HG2 ILE 76 HG21 ILE 76 -7.677 -4.725 4.922 465 2HG2 ILE 76 HG23 ILE 76 -8.485 -4.791 6.489 466 3HG2 ILE 76 HG22 ILE 76 -7.111 -5.847 6.161 467 1HD1 ILE 76 HD11 ILE 76 -10.059 -6.051 7.322 468 2HD1 ILE 76 HD13 ILE 76 -11.319 -4.914 6.851 469 3HD1 ILE 76 HD12 ILE 76 -11.623 -6.648 6.770 470 H ILE 77 HN ILE 77 -7.278 -8.842 4.712 471 HA ILE 77 HA ILE 77 -4.621 -7.845 4.799 472 HB ILE 77 HB ILE 77 -5.719 -10.655 4.567 473 1HG1 ILE 77 HG12 ILE 77 -6.051 -9.257 6.666 474 2HG1 ILE 77 HG11 ILE 77 -5.192 -10.779 6.912 475 1HG2 ILE 77 HG22 ILE 77 -2.879 -9.662 4.623 476 2HG2 ILE 77 HG21 ILE 77 -3.289 -11.199 5.382 477 3HG2 ILE 77 HG23 ILE 77 -3.581 -10.962 3.660 478 1HD1 ILE 77 HD11 ILE 77 -3.550 -8.375 6.262 479 2HD1 ILE 77 HD13 ILE 77 -4.255 -8.462 7.876 480 3HD1 ILE 77 HD12 ILE 77 -3.178 -9.740 7.314 481 H PHE 78 HN PHE 78 -6.249 -9.777 2.264 482 HA PHE 78 HA PHE 78 -4.043 -9.946 0.486 483 1HB PHE 78 HB2 PHE 78 -6.963 -10.282 0.273 484 2HB PHE 78 HB1 PHE 78 -6.198 -9.742 -1.220 485 HD1 PHE 78 HD1 PHE 78 -5.305 -12.098 1.574 486 HD2 PHE 78 HD2 PHE 78 -5.618 -11.462 -2.664 487 HE1 PHE 78 HE1 PHE 78 -4.458 -14.394 1.165 488 HE2 PHE 78 HE2 PHE 78 -4.771 -13.757 -3.071 489 HZ PHE 78 HZ PHE 78 -4.192 -15.223 -1.157 490 H GLY 79 HN GLY 79 -6.624 -7.481 0.654 491 1HA GLY 79 HA2 GLY 79 -5.713 -5.865 -1.487 492 2HA GLY 79 HA1 GLY 79 -6.625 -5.264 -0.100 493 H VAL 80 HN VAL 80 -4.898 -5.735 1.976 494 HA VAL 80 HA VAL 80 -3.134 -3.525 1.885 495 HB VAL 80 HB VAL 80 -2.848 -5.983 3.638 496 1HG1 VAL 80 HG13 VAL 80 -1.069 -4.042 3.478 497 2HG1 VAL 80 HG12 VAL 80 -2.248 -3.158 4.446 498 3HG1 VAL 80 HG11 VAL 80 -1.558 -4.662 5.054 499 1HG2 VAL 80 HG22 VAL 80 -5.149 -4.603 3.436 500 2HG2 VAL 80 HG21 VAL 80 -4.566 -5.224 4.978 501 3HG2 VAL 80 HG23 VAL 80 -4.297 -3.536 4.549 502 H MET 81 HN MET 81 -2.419 -7.004 1.483 503 HA MET 81 HA MET 81 0.377 -6.755 1.112 504 1HB MET 81 HB2 MET 81 -1.557 -8.721 -0.152 505 2HB MET 81 HB1 MET 81 0.197 -8.903 -0.140 506 1HG MET 81 HG2 MET 81 -0.343 -8.416 2.514 507 2HG MET 81 HG1 MET 81 -1.748 -9.361 2.021 508 1HE MET 81 HE3 MET 81 -1.589 -11.464 0.581 509 2HE MET 81 HE2 MET 81 -0.640 -12.773 1.283 510 3HE MET 81 HE1 MET 81 -1.734 -11.841 2.303 511 H ALA 82 HN ALA 82 -2.244 -6.671 -1.316 512 HA ALA 82 HA ALA 82 -0.590 -6.315 -3.586 513 1HB ALA 82 HB1 ALA 82 -3.433 -5.992 -2.966 514 2HB ALA 82 HB3 ALA 82 -2.866 -4.822 -4.162 515 3HB ALA 82 HB2 ALA 82 -2.661 -6.547 -4.449 516 H GLY 83 HN GLY 83 -2.035 -3.813 -1.435 517 1HA GLY 83 HA2 GLY 83 -1.045 -1.562 -2.841 518 2HA GLY 83 HA1 GLY 83 -1.373 -1.590 -1.108 519 H VAL 84 HN VAL 84 0.462 -3.432 -0.191 520 HA VAL 84 HA VAL 84 2.846 -1.917 0.012 521 HB VAL 84 HB VAL 84 2.337 -4.872 0.432 522 1HG1 VAL 84 HG12 VAL 84 4.779 -3.191 1.067 523 2HG1 VAL 84 HG11 VAL 84 4.485 -4.797 1.736 524 3HG1 VAL 84 HG13 VAL 84 4.708 -4.592 -0.002 525 1HG2 VAL 84 HG21 VAL 84 1.700 -2.519 1.903 526 2HG2 VAL 84 HG23 VAL 84 1.482 -4.195 2.403 527 3HG2 VAL 84 HG22 VAL 84 2.983 -3.351 2.781 528 H ILE 85 HN ILE 85 2.158 -4.761 -2.050 529 HA ILE 85 HA ILE 85 4.700 -4.934 -3.279 530 HB ILE 85 HB ILE 85 1.950 -5.560 -4.385 531 1HG1 ILE 85 HG12 ILE 85 4.098 -7.447 -3.394 532 2HG1 ILE 85 HG11 ILE 85 2.870 -6.779 -2.319 533 1HG2 ILE 85 HG21 ILE 85 4.678 -5.755 -5.553 534 2HG2 ILE 85 HG23 ILE 85 3.628 -7.153 -5.777 535 3HG2 ILE 85 HG22 ILE 85 3.121 -5.568 -6.358 536 1HD1 ILE 85 HD13 ILE 85 1.178 -7.627 -4.113 537 2HD1 ILE 85 HD12 ILE 85 2.515 -8.640 -4.658 538 3HD1 ILE 85 HD11 ILE 85 1.900 -8.801 -3.013 539 H GLY 86 HN GLY 86 1.824 -3.063 -4.326 540 1HA GLY 86 HA2 GLY 86 2.960 -1.981 -6.681 541 2HA GLY 86 HA1 GLY 86 1.701 -1.189 -5.733 542 H THR 87 HN THR 87 3.000 -0.675 -3.348 543 HA THR 87 HA THR 87 4.467 1.684 -3.918 544 HB THR 87 HB THR 87 4.634 -0.027 -1.417 545 HG1 THR 87 HG1 THR 87 2.506 0.552 -1.933 546 1HG2 THR 87 HG21 THR 87 5.330 2.844 -2.048 547 2HG2 THR 87 HG23 THR 87 5.045 2.288 -0.398 548 3HG2 THR 87 HG22 THR 87 6.367 1.603 -1.344 549 H ILE 88 HN ILE 88 5.640 -1.561 -3.005 550 HA ILE 88 HA ILE 88 8.414 -0.984 -3.032 551 HB ILE 88 HB ILE 88 6.924 -3.525 -3.744 552 1HG1 ILE 88 HG12 ILE 88 8.340 -2.559 -1.239 553 2HG1 ILE 88 HG11 ILE 88 6.602 -2.778 -1.439 554 1HG2 ILE 88 HG22 ILE 88 9.695 -2.849 -4.103 555 2HG2 ILE 88 HG21 ILE 88 9.558 -4.053 -2.823 556 3HG2 ILE 88 HG23 ILE 88 8.890 -4.385 -4.420 557 1HD1 ILE 88 HD11 ILE 88 8.023 -5.190 -2.187 558 2HD1 ILE 88 HD13 ILE 88 8.446 -4.702 -0.545 559 3HD1 ILE 88 HD12 ILE 88 6.758 -4.976 -0.977 560 H LEU 89 HN LEU 89 6.304 -2.108 -5.682 561 HA LEU 89 HA LEU 89 8.295 -2.260 -7.685 562 1HB LEU 89 HB2 LEU 89 6.477 -3.017 -8.782 563 2HB LEU 89 HB1 LEU 89 5.422 -2.366 -7.534 564 HG LEU 89 HG LEU 89 5.563 -0.129 -8.688 565 1HD1 LEU 89 HD11 LEU 89 7.467 -1.660 -10.289 566 2HD1 LEU 89 HD13 LEU 89 6.241 -0.875 -11.285 567 3HD1 LEU 89 HD12 LEU 89 7.237 0.087 -10.192 568 1HD2 LEU 89 HD23 LEU 89 4.438 -2.571 -10.060 569 2HD2 LEU 89 HD22 LEU 89 3.584 -1.349 -9.117 570 3HD2 LEU 89 HD21 LEU 89 4.189 -0.957 -10.727 571 H LEU 90 HN LEU 90 6.239 0.506 -6.743 572 HA LEU 90 HA LEU 90 7.231 2.354 -8.664 573 1HB LEU 90 HB2 LEU 90 5.484 2.494 -6.485 574 2HB LEU 90 HB1 LEU 90 6.795 3.591 -6.054 575 HG LEU 90 HG LEU 90 5.116 4.824 -7.312 576 1HD1 LEU 90 HD13 LEU 90 7.827 4.344 -8.337 577 2HD1 LEU 90 HD12 LEU 90 6.726 5.000 -9.547 578 3HD1 LEU 90 HD11 LEU 90 6.993 5.869 -8.037 579 1HD2 LEU 90 HD22 LEU 90 5.078 2.360 -8.859 580 2HD2 LEU 90 HD21 LEU 90 3.888 3.660 -8.808 581 3HD2 LEU 90 HD23 LEU 90 5.263 3.768 -9.906 582 H ILE 91 HN ILE 91 8.424 1.654 -5.365 583 HA ILE 91 HA ILE 91 10.578 3.503 -5.372 584 HB ILE 91 HB ILE 91 10.515 0.758 -4.078 585 1HG1 ILE 91 HG12 ILE 91 9.720 3.432 -2.890 586 2HG1 ILE 91 HG11 ILE 91 8.555 2.297 -3.574 587 1HG2 ILE 91 HG22 ILE 91 12.271 3.174 -3.849 588 2HG2 ILE 91 HG21 ILE 91 11.940 2.237 -2.392 589 3HG2 ILE 91 HG23 ILE 91 12.705 1.466 -3.781 590 1HD1 ILE 91 HD12 ILE 91 10.430 1.041 -1.697 591 2HD1 ILE 91 HD11 ILE 91 9.429 2.288 -0.954 592 3HD1 ILE 91 HD13 ILE 91 8.673 0.924 -1.777 593 H SER 92 HN SER 92 10.532 0.084 -6.449 594 HA SER 92 HA SER 92 13.266 -0.054 -7.187 595 1HB SER 92 HB2 SER 92 11.072 -1.374 -8.787 596 2HB SER 92 HB1 SER 92 12.695 -1.973 -8.452 597 HG SER 92 HG SER 92 12.103 -2.261 -6.307 598 H TYR 93 HN TYR 93 10.428 0.935 -9.141 599 HA TYR 93 HA TYR 93 11.855 1.531 -11.523 600 1HB TYR 93 HB2 TYR 93 9.262 1.583 -10.945 601 2HB TYR 93 HB1 TYR 93 9.587 3.297 -10.687 602 HD1 TYR 93 HD2 TYR 93 10.476 0.606 -13.154 603 HD2 TYR 93 HD1 TYR 93 9.351 4.703 -12.526 604 HE1 TYR 93 HE2 TYR 93 10.465 0.979 -15.605 605 HE2 TYR 93 HE1 TYR 93 9.341 5.077 -14.977 606 HH TYR 93 HH TYR 93 10.784 3.514 -17.078 607 H GLY 94 HN GLY 94 11.066 3.643 -8.744 608 1HA GLY 94 HA2 GLY 94 12.305 6.000 -9.709 609 2HA GLY 94 HA1 GLY 94 12.112 5.604 -8.000 610 H ILE 95 HN ILE 95 13.657 3.340 -7.749 611 HA ILE 95 HA ILE 95 16.289 4.386 -7.498 612 HB ILE 95 HB ILE 95 15.125 1.614 -7.449 613 1HG1 ILE 95 HG12 ILE 95 17.001 2.531 -5.376 614 2HG1 ILE 95 HG11 ILE 95 15.590 3.572 -5.559 615 1HG2 ILE 95 HG23 ILE 95 18.060 2.300 -7.669 616 2HG2 ILE 95 HG22 ILE 95 17.506 0.826 -6.875 617 3HG2 ILE 95 HG21 ILE 95 17.149 1.096 -8.580 618 1HD1 ILE 95 HD12 ILE 95 14.167 1.468 -5.464 619 2HD1 ILE 95 HD11 ILE 95 15.626 0.598 -4.991 620 3HD1 ILE 95 HD13 ILE 95 14.992 1.883 -3.961 621 H ARG 96 HN ARG 96 14.912 2.289 -10.052 622 HA ARG 96 HA ARG 96 17.258 2.031 -11.617 623 1HB ARG 96 HB2 ARG 96 14.402 2.274 -12.611 624 2HB ARG 96 HB1 ARG 96 15.753 1.565 -13.495 625 1HG ARG 96 HG2 ARG 96 15.735 0.269 -10.997 626 2HG ARG 96 HG1 ARG 96 14.046 0.346 -11.501 627 1HD ARG 96 HD2 ARG 96 16.268 -0.591 -13.330 628 2HD ARG 96 HD1 ARG 96 15.320 -1.691 -12.328 629 HE ARG 96 HE ARG 96 13.406 -0.235 -13.705 630 1HH1 ARG 96 HH21 ARG 96 15.229 -2.988 -14.095 631 2HH1 ARG 96 HH22 ARG 96 15.039 -3.103 -15.813 632 1HH2 ARG 96 HH11 ARG 96 13.565 0.021 -16.123 633 2HH2 ARG 96 HH12 ARG 96 14.096 -1.399 -16.961 634 H ARG 97 HN ARG 97 14.698 4.516 -11.772 635 HA ARG 97 HA ARG 97 15.786 6.023 -13.904 636 1HB ARG 97 HB2 ARG 97 13.540 6.449 -13.021 637 2HB ARG 97 HB1 ARG 97 14.228 6.992 -11.490 638 1HG ARG 97 HG2 ARG 97 15.185 8.924 -12.475 639 2HG ARG 97 HG1 ARG 97 14.982 8.290 -14.108 640 1HD ARG 97 HD2 ARG 97 12.401 8.274 -13.058 641 2HD ARG 97 HD1 ARG 97 13.093 9.779 -12.457 642 HE ARG 97 HE ARG 97 13.784 9.742 -15.146 643 1HH1 ARG 97 HH11 ARG 97 10.855 9.260 -13.382 644 2HH1 ARG 97 HH12 ARG 97 9.863 10.041 -14.566 645 1HH2 ARG 97 HH21 ARG 97 12.509 10.843 -16.653 646 2HH2 ARG 97 HH22 ARG 97 10.796 10.936 -16.414 647 H LEU 98 HN LEU 98 16.349 6.355 -10.395 648 HA LEU 98 HA LEU 98 18.100 8.574 -10.510 649 1HB LEU 98 HB2 LEU 98 17.421 6.491 -8.579 650 2HB LEU 98 HB1 LEU 98 19.118 6.961 -8.475 651 HG LEU 98 HG LEU 98 17.198 9.197 -8.765 652 1HD1 LEU 98 HD13 LEU 98 16.268 7.337 -7.107 653 2HD1 LEU 98 HD12 LEU 98 17.470 8.032 -6.020 654 3HD1 LEU 98 HD11 LEU 98 16.189 9.047 -6.684 655 1HD2 LEU 98 HD22 LEU 98 19.712 8.546 -7.236 656 2HD2 LEU 98 HD21 LEU 98 19.438 9.827 -8.417 657 3HD2 LEU 98 HD23 LEU 98 18.743 9.955 -6.801 658 H ILE 99 HN ILE 99 18.847 5.091 -10.684 659 HA ILE 99 HA ILE 99 21.684 5.522 -11.093 660 HB ILE 99 HB ILE 99 21.698 3.115 -11.700 661 1HG1 ILE 99 HG12 ILE 99 18.690 3.306 -11.347 662 2HG1 ILE 99 HG11 ILE 99 19.493 3.203 -12.913 663 1HG2 ILE 99 HG23 ILE 99 20.205 4.076 -9.270 664 2HG2 ILE 99 HG22 ILE 99 20.440 2.348 -9.534 665 3HG2 ILE 99 HG21 ILE 99 21.837 3.413 -9.378 666 1HD1 ILE 99 HD12 ILE 99 20.550 1.145 -11.222 667 2HD1 ILE 99 HD11 ILE 99 18.788 1.062 -11.168 668 3HD1 ILE 99 HD13 ILE 99 19.629 0.967 -12.715 669 H LYS 100 HN LYS 100 18.903 5.655 -13.127 670 HA LYS 100 HA LYS 100 20.697 5.756 -15.520 671 1HB LYS 100 HB2 LYS 100 18.426 4.082 -15.019 672 2HB LYS 100 HB1 LYS 100 18.015 5.204 -16.316 673 1HG LYS 100 HG2 LYS 100 20.659 3.767 -16.339 674 2HG LYS 100 HG1 LYS 100 19.205 2.965 -16.935 675 1HD LYS 100 HD2 LYS 100 18.838 5.102 -18.343 676 2HD LYS 100 HD1 LYS 100 20.525 5.470 -17.978 677 1HE LYS 100 HE2 LYS 100 20.975 4.205 -19.814 678 2HE LYS 100 HE1 LYS 100 20.692 2.840 -18.735 679 1HZ LYS 100 HZ1 LYS 100 18.487 4.149 -20.207 680 2HZ LYS 100 HZ3 LYS 100 19.396 2.892 -20.895 681 3HZ LYS 100 HZ2 LYS 100 18.504 2.616 -19.475 682 H LYS 101 HN LYS 101 20.527 8.107 -14.379 683 HA LYS 101 HA LYS 101 19.790 10.324 -14.634 684 1HB LYS 101 HB2 LYS 101 19.654 9.046 -17.197 685 2HB LYS 101 HB1 LYS 101 18.274 10.133 -17.042 686 1HG LYS 101 HG2 LYS 101 21.137 10.928 -16.439 687 2HG LYS 101 HG1 LYS 101 20.322 11.250 -17.970 688 1HD LYS 101 HD2 LYS 101 18.725 12.685 -16.938 689 2HD LYS 101 HD1 LYS 101 19.172 12.140 -15.321 690 1HE LYS 101 HE2 LYS 101 20.867 13.626 -15.189 691 2HE LYS 101 HE1 LYS 101 21.462 13.193 -16.792 692 1HZ LYS 101 HZ3 LYS 101 19.202 14.514 -17.374 693 2HZ LYS 101 HZ2 LYS 101 19.719 15.351 -15.990 694 3HZ LYS 101 HZ1 LYS 101 20.742 15.224 -17.341 No H/Q in entry = 694 Start of MODEL 16 1 1H VAL 62 HT2 VAL 62 -7.315 10.820 -7.549 2 2H VAL 62 HT1 VAL 62 -6.899 12.453 -7.769 3 3H VAL 62 HT3 VAL 62 -5.698 11.317 -7.394 4 HA VAL 62 HA VAL 62 -6.093 11.400 -5.215 5 HB VAL 62 HB VAL 62 -6.096 13.816 -5.987 6 1HG1 VAL 62 HG11 VAL 62 -8.465 13.436 -7.035 7 2HG1 VAL 62 HG13 VAL 62 -9.047 13.776 -5.405 8 3HG1 VAL 62 HG12 VAL 62 -8.105 14.987 -6.274 9 1HG2 VAL 62 HG23 VAL 62 -7.328 12.753 -3.490 10 2HG2 VAL 62 HG22 VAL 62 -5.887 13.748 -3.696 11 3HG2 VAL 62 HG21 VAL 62 -7.486 14.484 -3.780 12 H GLN 63 HN GLN 63 -9.028 11.452 -7.140 13 HA GLN 63 HA GLN 63 -10.424 10.095 -4.871 14 1HB GLN 63 HB2 GLN 63 -12.527 11.136 -5.651 15 2HB GLN 63 HB1 GLN 63 -11.343 12.361 -5.198 16 1HG GLN 63 HG2 GLN 63 -12.035 13.189 -7.253 17 2HG GLN 63 HG1 GLN 63 -10.667 12.193 -7.751 18 1HE2 GLN 63 HE22 GLN 63 -13.011 10.775 -10.035 19 2HE2 GLN 63 HE21 GLN 63 -11.703 11.846 -9.879 20 H LEU 64 HN LEU 64 -11.719 8.312 -5.459 21 HA LEU 64 HA LEU 64 -11.129 7.214 -8.147 22 1HB LEU 64 HB2 LEU 64 -11.677 6.114 -5.513 23 2HB LEU 64 HB1 LEU 64 -12.726 5.391 -6.733 24 HG LEU 64 HG LEU 64 -10.140 5.584 -7.887 25 1HD1 LEU 64 HD12 LEU 64 -9.594 5.730 -5.313 26 2HD1 LEU 64 HD11 LEU 64 -9.948 4.003 -5.342 27 3HD1 LEU 64 HD13 LEU 64 -8.655 4.655 -6.348 28 1HD2 LEU 64 HD21 LEU 64 -12.101 3.863 -8.068 29 2HD2 LEU 64 HD23 LEU 64 -10.447 3.281 -8.244 30 3HD2 LEU 64 HD22 LEU 64 -11.301 3.062 -6.717 31 H ALA 65 HN ALA 65 -14.076 6.892 -6.172 32 HA ALA 65 HA ALA 65 -15.624 7.955 -8.495 33 1HB ALA 65 HB3 ALA 65 -15.583 5.301 -7.758 34 2HB ALA 65 HB2 ALA 65 -16.993 5.906 -6.888 35 3HB ALA 65 HB1 ALA 65 -16.896 6.080 -8.640 36 H HIS 66 HN HIS 66 -17.123 9.503 -7.897 37 HA HIS 66 HA HIS 66 -17.175 10.534 -5.238 38 1HB HIS 66 HB2 HIS 66 -17.831 11.771 -7.357 39 2HB HIS 66 HB1 HIS 66 -19.355 10.884 -7.313 40 HD1 HIS 66 HD1 HIS 66 -20.571 11.074 -4.779 41 HD2 HIS 66 HD2 HIS 66 -18.003 14.140 -5.959 42 HE1 HIS 66 HE1 HIS 66 -21.119 13.069 -3.320 43 H HIS 67 HN HIS 67 -18.810 7.867 -6.671 44 HA HIS 67 HA HIS 67 -20.554 7.682 -4.247 45 1HB HIS 67 HB2 HIS 67 -21.954 6.179 -5.950 46 2HB HIS 67 HB1 HIS 67 -22.183 7.925 -5.869 47 HD1 HIS 67 HD1 HIS 67 -21.607 5.343 -8.262 48 HD2 HIS 67 HD2 HIS 67 -20.225 9.253 -7.840 49 HE1 HIS 67 HE1 HIS 67 -20.748 6.049 -10.538 50 H PHE 68 HN PHE 68 -19.918 5.346 -6.858 51 HA PHE 68 HA PHE 68 -18.794 3.273 -6.783 52 1HB PHE 68 HB2 PHE 68 -17.378 4.796 -4.978 53 2HB PHE 68 HB1 PHE 68 -17.941 3.461 -3.971 54 HD1 PHE 68 HD2 PHE 68 -17.070 3.507 -7.609 55 HD2 PHE 68 HD1 PHE 68 -16.076 2.054 -3.690 56 HE1 PHE 68 HE2 PHE 68 -15.342 2.028 -8.596 57 HE2 PHE 68 HE1 PHE 68 -14.348 0.573 -4.679 58 HZ PHE 68 HZ PHE 68 -13.980 0.560 -7.131 59 H SER 69 HN SER 69 -18.755 1.281 -5.016 60 HA SER 69 HA SER 69 -20.944 1.135 -3.173 61 1HB SER 69 HB2 SER 69 -21.549 0.629 -6.008 62 2HB SER 69 HB1 SER 69 -22.035 -0.680 -4.934 63 HG SER 69 HG SER 69 -23.573 1.116 -5.258 64 H GLU 70 HN GLU 70 -21.582 -1.556 -3.306 65 HA GLU 70 HA GLU 70 -20.715 -3.655 -2.712 66 1HB GLU 70 HB2 GLU 70 -19.256 -2.755 -5.042 67 2HB GLU 70 HB1 GLU 70 -18.209 -3.717 -3.998 68 1HG GLU 70 HG2 GLU 70 -19.482 -5.094 -5.664 69 2HG GLU 70 HG1 GLU 70 -19.806 -5.546 -3.990 70 HA PRO 71 HA PRO 71 -18.230 -1.892 0.654 71 1HB PRO 71 HB2 PRO 71 -18.803 -4.303 2.120 72 2HB PRO 71 HB1 PRO 71 -19.453 -2.681 2.396 73 1HG PRO 71 HG2 PRO 71 -20.828 -4.961 1.290 74 2HG PRO 71 HG1 PRO 71 -21.471 -3.337 1.567 75 1HD PRO 71 HD2 PRO 71 -20.818 -4.565 -0.955 76 2HD PRO 71 HD1 PRO 71 -21.442 -2.928 -0.671 77 H GLU 72 HN GLU 72 -18.179 -5.235 -0.572 78 HA GLU 72 HA GLU 72 -15.794 -6.183 0.502 79 1HB GLU 72 HB2 GLU 72 -15.519 -7.224 -1.929 80 2HB GLU 72 HB1 GLU 72 -16.811 -7.761 -0.854 81 1HG GLU 72 HG2 GLU 72 -17.572 -5.392 -2.384 82 2HG GLU 72 HG1 GLU 72 -17.143 -6.749 -3.426 83 H ILE 73 HN ILE 73 -15.863 -4.739 -2.782 84 HA ILE 73 HA ILE 73 -13.113 -4.327 -3.011 85 HB ILE 73 HB ILE 73 -15.003 -3.946 -4.745 86 1HG1 ILE 73 HG12 ILE 73 -13.536 -2.089 -5.824 87 2HG1 ILE 73 HG11 ILE 73 -12.510 -2.307 -4.406 88 1HG2 ILE 73 HG23 ILE 73 -14.815 -1.184 -3.500 89 2HG2 ILE 73 HG22 ILE 73 -15.668 -1.577 -4.993 90 3HG2 ILE 73 HG21 ILE 73 -16.228 -2.238 -3.458 91 1HD1 ILE 73 HD11 ILE 73 -12.528 -4.799 -4.930 92 2HD1 ILE 73 HD13 ILE 73 -13.256 -4.377 -6.479 93 3HD1 ILE 73 HD12 ILE 73 -11.644 -3.789 -6.074 94 H THR 74 HN THR 74 -15.524 -2.258 -1.429 95 HA THR 74 HA THR 74 -13.861 -0.007 -0.940 96 HB THR 74 HB THR 74 -16.155 -1.186 0.649 97 HG1 THR 74 HG1 THR 74 -16.898 1.027 -0.244 98 1HG2 THR 74 HG23 THR 74 -14.404 1.189 1.179 99 2HG2 THR 74 HG22 THR 74 -16.117 1.275 1.592 100 3HG2 THR 74 HG21 THR 74 -15.094 0.036 2.321 101 H LEU 75 HN LEU 75 -14.393 -2.936 1.027 102 HA LEU 75 HA LEU 75 -12.526 -2.175 3.089 103 1HB LEU 75 HB2 LEU 75 -14.344 -4.256 2.759 104 2HB LEU 75 HB1 LEU 75 -12.779 -5.065 2.686 105 HG LEU 75 HG LEU 75 -13.881 -3.339 4.908 106 1HD1 LEU 75 HD11 LEU 75 -12.884 -6.182 4.649 107 2HD1 LEU 75 HD13 LEU 75 -13.086 -5.396 6.215 108 3HD1 LEU 75 HD12 LEU 75 -14.481 -5.631 5.161 109 1HD2 LEU 75 HD23 LEU 75 -11.047 -3.986 4.172 110 2HD2 LEU 75 HD22 LEU 75 -11.707 -2.511 4.878 111 3HD2 LEU 75 HD21 LEU 75 -11.487 -3.946 5.880 112 H ILE 76 HN ILE 76 -12.204 -4.302 0.224 113 HA ILE 76 HA ILE 76 -9.506 -5.042 0.672 114 HB ILE 76 HB ILE 76 -11.090 -4.618 -1.872 115 1HG1 ILE 76 HG12 ILE 76 -10.042 -7.074 -0.440 116 2HG1 ILE 76 HG11 ILE 76 -11.717 -6.522 -0.451 117 1HG2 ILE 76 HG23 ILE 76 -8.196 -5.348 -1.487 118 2HG2 ILE 76 HG22 ILE 76 -9.103 -6.025 -2.840 119 3HG2 ILE 76 HG21 ILE 76 -8.921 -4.278 -2.688 120 1HD1 ILE 76 HD13 ILE 76 -11.283 -6.595 -3.105 121 2HD1 ILE 76 HD12 ILE 76 -10.141 -7.843 -2.605 122 3HD1 ILE 76 HD11 ILE 76 -11.851 -8.002 -2.207 123 H ILE 77 HN ILE 77 -10.830 -2.238 -1.118 124 HA ILE 77 HA ILE 77 -8.335 -1.092 -1.833 125 HB ILE 77 HB ILE 77 -10.956 0.274 -1.154 126 1HG1 ILE 77 HG12 ILE 77 -9.786 -0.287 -3.882 127 2HG1 ILE 77 HG11 ILE 77 -10.814 -1.462 -3.062 128 1HG2 ILE 77 HG21 ILE 77 -8.982 1.795 -1.058 129 2HG2 ILE 77 HG23 ILE 77 -8.562 1.312 -2.701 130 3HG2 ILE 77 HG22 ILE 77 -10.065 2.184 -2.395 131 1HD1 ILE 77 HD12 ILE 77 -12.266 0.841 -2.751 132 2HD1 ILE 77 HD11 ILE 77 -11.532 1.100 -4.333 133 3HD1 ILE 77 HD13 ILE 77 -12.523 -0.330 -4.045 134 H PHE 78 HN PHE 78 -10.344 -0.539 1.086 135 HA PHE 78 HA PHE 78 -8.615 1.345 2.321 136 1HB PHE 78 HB2 PHE 78 -10.776 -0.458 3.232 137 2HB PHE 78 HB1 PHE 78 -9.601 -0.028 4.473 138 HD1 PHE 78 HD1 PHE 78 -11.723 1.495 1.790 139 HD2 PHE 78 HD2 PHE 78 -9.738 2.044 5.560 140 HE1 PHE 78 HE1 PHE 78 -12.767 3.734 2.014 141 HE2 PHE 78 HE2 PHE 78 -10.782 4.282 5.784 142 HZ PHE 78 HZ PHE 78 -12.296 5.128 4.012 143 H GLY 79 HN GLY 79 -8.670 -2.223 2.632 144 1HA GLY 79 HA2 GLY 79 -6.474 -2.438 4.421 145 2HA GLY 79 HA1 GLY 79 -6.948 -3.689 3.267 146 H VAL 80 HN VAL 80 -6.542 -2.449 0.859 147 HA VAL 80 HA VAL 80 -3.754 -2.726 0.430 148 HB VAL 80 HB VAL 80 -5.723 -1.124 -1.233 149 1HG1 VAL 80 HG13 VAL 80 -3.039 -1.194 -1.535 150 2HG1 VAL 80 HG12 VAL 80 -3.467 -2.663 -2.415 151 3HG1 VAL 80 HG11 VAL 80 -4.150 -1.111 -2.903 152 1HG2 VAL 80 HG21 VAL 80 -6.039 -3.736 -0.541 153 2HG2 VAL 80 HG23 VAL 80 -6.533 -3.087 -2.105 154 3HG2 VAL 80 HG22 VAL 80 -4.986 -3.916 -1.944 155 H MET 81 HN MET 81 -5.728 0.224 0.798 156 HA MET 81 HA MET 81 -3.637 2.117 0.512 157 1HB MET 81 HB2 MET 81 -6.179 2.175 2.155 158 2HB MET 81 HB1 MET 81 -5.106 3.566 2.006 159 1HG MET 81 HG2 MET 81 -5.932 2.206 -0.515 160 2HG MET 81 HG1 MET 81 -7.149 3.175 0.316 161 1HE MET 81 HE1 MET 81 -7.671 4.961 -0.756 162 2HE MET 81 HE3 MET 81 -6.980 5.936 0.549 163 3HE MET 81 HE2 MET 81 -6.696 6.380 -1.132 164 H ALA 82 HN ALA 82 -4.858 0.481 3.435 165 HA ALA 82 HA ALA 82 -3.108 1.703 5.291 166 1HB ALA 82 HB2 ALA 82 -4.825 -0.681 5.248 167 2HB ALA 82 HB1 ALA 82 -3.397 -0.874 6.270 168 3HB ALA 82 HB3 ALA 82 -4.513 0.460 6.554 169 H GLY 83 HN GLY 83 -2.618 -1.272 3.333 170 1HA GLY 83 HA2 GLY 83 -0.072 -1.949 4.367 171 2HA GLY 83 HA1 GLY 83 -0.616 -2.329 2.732 172 H VAL 84 HN VAL 84 -0.915 0.196 1.618 173 HA VAL 84 HA VAL 84 1.740 0.880 0.886 174 HB VAL 84 HB VAL 84 -0.742 2.624 0.829 175 1HG1 VAL 84 HG11 VAL 84 1.792 3.511 0.509 176 2HG1 VAL 84 HG13 VAL 84 1.469 2.947 -1.131 177 3HG1 VAL 84 HG12 VAL 84 0.428 4.168 -0.397 178 1HG2 VAL 84 HG21 VAL 84 -0.830 0.399 -0.389 179 2HG2 VAL 84 HG23 VAL 84 -1.044 1.814 -1.420 180 3HG2 VAL 84 HG22 VAL 84 0.506 0.975 -1.386 181 H ILE 85 HN ILE 85 -0.436 2.462 3.252 182 HA ILE 85 HA ILE 85 1.346 4.507 4.074 183 HB ILE 85 HB ILE 85 -0.671 2.988 5.759 184 1HG1 ILE 85 HG12 ILE 85 -1.027 5.634 4.333 185 2HG1 ILE 85 HG11 ILE 85 -1.470 4.097 3.589 186 1HG2 ILE 85 HG23 ILE 85 1.210 5.077 6.385 187 2HG2 ILE 85 HG22 ILE 85 -0.430 5.713 6.506 188 3HG2 ILE 85 HG21 ILE 85 0.037 4.297 7.446 189 1HD1 ILE 85 HD11 ILE 85 -2.700 3.763 5.948 190 2HD1 ILE 85 HD13 ILE 85 -2.731 5.526 5.883 191 3HD1 ILE 85 HD12 ILE 85 -3.483 4.583 4.597 192 H GLY 86 HN GLY 86 0.939 1.194 5.357 193 1HA GLY 86 HA2 GLY 86 2.878 1.335 7.408 194 2HA GLY 86 HA1 GLY 86 2.426 -0.150 6.569 195 H THR 87 HN THR 87 3.282 0.371 3.981 196 HA THR 87 HA THR 87 6.045 -0.233 4.108 197 HB THR 87 HB THR 87 4.517 1.047 1.819 198 HG1 THR 87 HG1 THR 87 3.798 -1.035 2.759 199 1HG2 THR 87 HG23 THR 87 7.161 -0.417 1.964 200 2HG2 THR 87 HG22 THR 87 6.292 -0.136 0.455 201 3HG2 THR 87 HG21 THR 87 6.876 1.231 1.405 202 H ILE 88 HN ILE 88 4.437 2.891 3.417 203 HA ILE 88 HA ILE 88 6.801 4.431 3.083 204 HB ILE 88 HB ILE 88 4.182 5.308 4.344 205 1HG1 ILE 88 HG12 ILE 88 5.066 5.448 1.444 206 2HG1 ILE 88 HG11 ILE 88 3.987 4.207 2.082 207 1HG2 ILE 88 HG23 ILE 88 6.667 6.684 3.551 208 2HG2 ILE 88 HG22 ILE 88 5.195 7.424 2.922 209 3HG2 ILE 88 HG21 ILE 88 5.398 7.203 4.659 210 1HD1 ILE 88 HD11 ILE 88 2.663 6.311 3.010 211 2HD1 ILE 88 HD13 ILE 88 3.484 7.130 1.683 212 3HD1 ILE 88 HD12 ILE 88 2.427 5.757 1.353 213 H LEU 89 HN LEU 89 4.914 3.715 6.019 214 HA LEU 89 HA LEU 89 6.512 5.155 7.857 215 1HB LEU 89 HB2 LEU 89 4.796 4.423 9.129 216 2HB LEU 89 HB1 LEU 89 4.388 3.182 7.951 217 HG LEU 89 HG LEU 89 6.204 1.748 8.924 218 1HD1 LEU 89 HD12 LEU 89 6.553 4.214 10.530 219 2HD1 LEU 89 HD11 LEU 89 6.620 2.704 11.439 220 3HD1 LEU 89 HD13 LEU 89 7.732 2.976 10.098 221 1HD2 LEU 89 HD21 LEU 89 3.844 2.702 10.528 222 2HD2 LEU 89 HD23 LEU 89 4.079 1.157 9.711 223 3HD2 LEU 89 HD22 LEU 89 4.936 1.498 11.214 224 H LEU 90 HN LEU 90 6.790 1.769 6.746 225 HA LEU 90 HA LEU 90 9.012 1.030 8.350 226 1HB LEU 90 HB2 LEU 90 7.674 -0.518 6.869 227 2HB LEU 90 HB1 LEU 90 8.541 0.150 5.485 228 HG LEU 90 HG LEU 90 10.693 -0.452 6.768 229 1HD1 LEU 90 HD12 LEU 90 8.568 -1.808 8.404 230 2HD1 LEU 90 HD11 LEU 90 10.155 -2.561 8.241 231 3HD1 LEU 90 HD13 LEU 90 10.011 -0.951 8.945 232 1HD2 LEU 90 HD22 LEU 90 8.764 -2.372 5.494 233 2HD2 LEU 90 HD21 LEU 90 10.303 -1.769 4.879 234 3HD2 LEU 90 HD23 LEU 90 10.279 -2.984 6.157 235 H ILE 91 HN ILE 91 8.986 2.520 5.086 236 HA ILE 91 HA ILE 91 11.809 2.653 4.765 237 HB ILE 91 HB ILE 91 9.661 4.576 3.805 238 1HG1 ILE 91 HG12 ILE 91 11.062 2.238 2.466 239 2HG1 ILE 91 HG11 ILE 91 9.381 2.265 3.000 240 1HG2 ILE 91 HG23 ILE 91 12.077 5.436 3.868 241 2HG2 ILE 91 HG22 ILE 91 12.435 4.201 2.661 242 3HG2 ILE 91 HG21 ILE 91 11.272 5.477 2.298 243 1HD1 ILE 91 HD11 ILE 91 9.785 4.574 1.388 244 2HD1 ILE 91 HD13 ILE 91 10.476 3.204 0.519 245 3HD1 ILE 91 HD12 ILE 91 8.788 3.165 1.028 246 H SER 92 HN SER 92 9.546 4.992 6.239 247 HA SER 92 HA SER 92 11.487 6.933 6.969 248 1HB SER 92 HB2 SER 92 9.663 6.941 9.065 249 2HB SER 92 HB1 SER 92 9.501 7.852 7.566 250 HG SER 92 HG SER 92 7.781 6.661 7.321 251 H TYR 93 HN TYR 93 10.282 4.081 8.762 252 HA TYR 93 HA TYR 93 11.902 4.421 11.067 253 1HB TYR 93 HB2 TYR 93 10.086 2.535 10.207 254 2HB TYR 93 HB1 TYR 93 11.600 1.633 10.166 255 HD1 TYR 93 HD1 TYR 93 13.022 1.482 12.228 256 HD2 TYR 93 HD2 TYR 93 9.078 3.184 12.282 257 HE1 TYR 93 HE1 TYR 93 12.954 1.250 14.696 258 HE2 TYR 93 HE2 TYR 93 9.011 2.951 14.749 259 HH TYR 93 HH TYR 93 11.766 1.549 16.535 260 H GLY 94 HN GLY 94 12.597 2.615 8.040 261 1HA GLY 94 HA2 GLY 94 15.183 1.715 8.759 262 2HA GLY 94 HA1 GLY 94 14.652 1.991 7.102 263 H ILE 95 HN ILE 95 14.261 4.726 7.032 264 HA ILE 95 HA ILE 95 16.912 5.711 6.742 265 HB ILE 95 HB ILE 95 15.198 6.859 5.539 266 1HG1 ILE 95 HG12 ILE 95 15.457 9.217 6.391 267 2HG1 ILE 95 HG11 ILE 95 16.248 8.552 7.821 268 1HG2 ILE 95 HG21 ILE 95 13.323 6.330 7.055 269 2HG2 ILE 95 HG23 ILE 95 13.941 7.499 8.222 270 3HG2 ILE 95 HG22 ILE 95 13.356 8.045 6.650 271 1HD1 ILE 95 HD11 ILE 95 17.474 7.334 5.573 272 2HD1 ILE 95 HD13 ILE 95 17.377 9.060 5.225 273 3HD1 ILE 95 HD12 ILE 95 18.189 8.500 6.687 274 H ARG 96 HN ARG 96 14.583 6.204 9.394 275 HA ARG 96 HA ARG 96 16.199 7.872 11.016 276 1HB ARG 96 HB2 ARG 96 14.216 5.742 11.871 277 2HB ARG 96 HB1 ARG 96 14.840 7.025 12.907 278 1HG ARG 96 HG2 ARG 96 13.980 8.464 10.744 279 2HG ARG 96 HG1 ARG 96 12.799 7.153 10.777 280 1HD ARG 96 HD2 ARG 96 13.408 8.289 13.427 281 2HD ARG 96 HD1 ARG 96 12.643 9.423 12.316 282 HE ARG 96 HE ARG 96 11.110 7.128 12.075 283 1HH1 ARG 96 HH11 ARG 96 11.078 9.898 13.844 284 2HH1 ARG 96 HH12 ARG 96 10.197 9.275 15.198 285 1HH2 ARG 96 HH21 ARG 96 10.449 5.970 14.175 286 2HH2 ARG 96 HH22 ARG 96 9.840 7.050 15.386 287 H ARG 97 HN ARG 97 15.978 4.308 10.946 288 HA ARG 97 HA ARG 97 17.852 3.818 13.009 289 1HB ARG 97 HB2 ARG 97 16.814 2.256 10.696 290 2HB ARG 97 HB1 ARG 97 18.340 1.708 11.388 291 1HG ARG 97 HG2 ARG 97 16.994 2.082 13.672 292 2HG ARG 97 HG1 ARG 97 15.620 1.763 12.611 293 1HD ARG 97 HD2 ARG 97 17.300 -0.209 11.808 294 2HD ARG 97 HD1 ARG 97 17.786 -0.059 13.497 295 HE ARG 97 HE ARG 97 15.019 -0.144 13.611 296 1HH1 ARG 97 HH21 ARG 97 17.307 -2.304 14.171 297 2HH1 ARG 97 HH22 ARG 97 16.533 -3.685 13.467 298 1HH2 ARG 97 HH11 ARG 97 14.091 -1.826 11.853 299 2HH2 ARG 97 HH12 ARG 97 14.712 -3.415 12.155 300 H LEU 98 HN LEU 98 18.407 4.193 9.503 301 HA LEU 98 HA LEU 98 21.207 3.785 9.549 302 1HB LEU 98 HB2 LEU 98 20.745 4.024 7.346 303 2HB LEU 98 HB1 LEU 98 19.221 4.828 7.701 304 HG LEU 98 HG LEU 98 20.501 6.956 8.059 305 1HD1 LEU 98 HD11 LEU 98 22.678 5.525 8.418 306 2HD1 LEU 98 HD13 LEU 98 22.816 5.645 6.664 307 3HD1 LEU 98 HD12 LEU 98 22.795 7.107 7.649 308 1HD2 LEU 98 HD22 LEU 98 20.115 5.505 5.539 309 2HD2 LEU 98 HD21 LEU 98 19.718 7.177 5.941 310 3HD2 LEU 98 HD23 LEU 98 21.352 6.757 5.427 311 H ILE 99 HN ILE 99 19.322 6.782 9.968 312 HA ILE 99 HA ILE 99 21.749 8.304 10.643 313 HB ILE 99 HB ILE 99 20.170 10.182 10.942 314 1HG1 ILE 99 HG12 ILE 99 17.886 8.480 10.058 315 2HG1 ILE 99 HG11 ILE 99 18.386 8.338 11.744 316 1HG2 ILE 99 HG22 ILE 99 20.950 9.603 8.661 317 2HG2 ILE 99 HG21 ILE 99 19.570 8.519 8.475 318 3HG2 ILE 99 HG23 ILE 99 19.312 10.255 8.636 319 1HD1 ILE 99 HD11 ILE 99 18.394 11.098 11.204 320 2HD1 ILE 99 HD13 ILE 99 16.920 10.482 10.454 321 3HD1 ILE 99 HD12 ILE 99 17.215 10.213 12.172 322 H LYS 100 HN LYS 100 21.220 6.073 12.399 323 HA LYS 100 HA LYS 100 21.111 7.543 14.941 324 1HB LYS 100 HB2 LYS 100 18.708 6.894 14.261 325 2HB LYS 100 HB1 LYS 100 19.207 5.230 14.573 326 1HG LYS 100 HG2 LYS 100 18.305 5.939 16.637 327 2HG LYS 100 HG1 LYS 100 20.046 6.119 16.854 328 1HD LYS 100 HD2 LYS 100 19.154 8.163 17.648 329 2HD LYS 100 HD1 LYS 100 19.708 8.539 16.015 330 1HE LYS 100 HE2 LYS 100 17.235 7.781 15.383 331 2HE LYS 100 HE1 LYS 100 16.918 8.253 17.053 332 1HZ LYS 100 HZ1 LYS 100 18.243 10.353 16.395 333 2HZ LYS 100 HZ3 LYS 100 17.861 9.903 14.806 334 3HZ LYS 100 HZ2 LYS 100 16.617 10.215 15.921 335 H LYS 101 HN LYS 101 23.123 6.789 15.553 336 HA LYS 101 HA LYS 101 24.790 5.247 16.173 337 1HB LYS 101 HB2 LYS 101 22.302 4.467 17.332 338 2HB LYS 101 HB1 LYS 101 23.142 2.998 16.832 339 1HG LYS 101 HG2 LYS 101 24.527 3.185 18.590 340 2HG LYS 101 HG1 LYS 101 25.065 4.759 18.004 341 1HD LYS 101 HD2 LYS 101 24.160 5.007 20.258 342 2HD LYS 101 HD1 LYS 101 23.087 5.805 19.108 343 1HE LYS 101 HE2 LYS 101 22.170 3.164 19.197 344 2HE LYS 101 HE1 LYS 101 22.541 3.560 20.875 345 1HZ LYS 101 HZ1 LYS 101 20.878 5.222 19.061 346 2HZ LYS 101 HZ3 LYS 101 20.269 4.173 20.247 347 3HZ LYS 101 HZ2 LYS 101 21.188 5.528 20.704 348 1H VAL 62 HT2 VAL 62 -6.255 -31.433 12.370 349 2H VAL 62 HT1 VAL 62 -4.787 -30.789 12.931 350 3H VAL 62 HT3 VAL 62 -6.158 -30.763 13.928 351 HA VAL 62 HA VAL 62 -5.837 -28.576 13.057 352 HB VAL 62 HB VAL 62 -5.692 -28.153 10.691 353 1HG1 VAL 62 HG13 VAL 62 -3.670 -29.154 12.009 354 2HG1 VAL 62 HG12 VAL 62 -3.955 -30.591 11.026 355 3HG1 VAL 62 HG11 VAL 62 -3.568 -29.054 10.251 356 1HG2 VAL 62 HG22 VAL 62 -6.749 -30.914 10.559 357 2HG2 VAL 62 HG21 VAL 62 -7.001 -29.559 9.457 358 3HG2 VAL 62 HG23 VAL 62 -5.530 -30.527 9.344 359 H GLN 63 HN GLN 63 -7.613 -27.667 11.102 360 HA GLN 63 HA GLN 63 -10.148 -29.131 11.463 361 1HB GLN 63 HB2 GLN 63 -11.126 -26.754 12.168 362 2HB GLN 63 HB1 GLN 63 -10.511 -27.886 13.371 363 1HG GLN 63 HG2 GLN 63 -9.458 -25.852 13.936 364 2HG GLN 63 HG1 GLN 63 -8.226 -26.704 13.011 365 1HE2 GLN 63 HE22 GLN 63 -8.200 -24.340 10.383 366 2HE2 GLN 63 HE21 GLN 63 -7.570 -25.793 10.993 367 H LEU 64 HN LEU 64 -10.154 -29.298 9.178 368 HA LEU 64 HA LEU 64 -10.386 -28.541 6.951 369 1HB LEU 64 HB2 LEU 64 -12.382 -27.326 8.672 370 2HB LEU 64 HB1 LEU 64 -11.998 -26.267 7.313 371 HG LEU 64 HG LEU 64 -12.137 -28.684 6.054 372 1HD1 LEU 64 HD11 LEU 64 -14.117 -28.709 8.350 373 2HD1 LEU 64 HD13 LEU 64 -14.242 -29.752 6.933 374 3HD1 LEU 64 HD12 LEU 64 -12.861 -29.902 8.019 375 1HD2 LEU 64 HD23 LEU 64 -14.277 -26.624 6.638 376 2HD2 LEU 64 HD22 LEU 64 -13.268 -26.762 5.198 377 3HD2 LEU 64 HD21 LEU 64 -14.535 -27.951 5.505 378 H ALA 65 HN ALA 65 -7.970 -27.720 7.625 379 HA ALA 65 HA ALA 65 -7.890 -24.767 7.227 380 1HB ALA 65 HB2 ALA 65 -6.275 -26.661 8.738 381 2HB ALA 65 HB1 ALA 65 -5.279 -25.672 7.670 382 3HB ALA 65 HB3 ALA 65 -6.334 -24.903 8.856 383 H HIS 66 HN HIS 66 -7.849 -24.343 5.038 384 HA HIS 66 HA HIS 66 -5.577 -25.214 3.469 385 1HB HIS 66 HB2 HIS 66 -7.262 -26.234 1.687 386 2HB HIS 66 HB1 HIS 66 -6.598 -27.239 2.974 387 HD1 HIS 66 HD1 HIS 66 -9.750 -25.492 1.902 388 HD2 HIS 66 HD2 HIS 66 -8.464 -27.989 4.983 389 HE1 HIS 66 HE1 HIS 66 -11.832 -26.241 3.136 390 H HIS 67 HN HIS 67 -5.162 -23.459 2.222 391 HA HIS 67 HA HIS 67 -5.526 -21.576 0.865 392 1HB HIS 67 HB2 HIS 67 -7.123 -23.190 -0.293 393 2HB HIS 67 HB1 HIS 67 -8.408 -22.489 0.691 394 HD1 HIS 67 HD1 HIS 67 -9.580 -21.361 -1.325 395 HD2 HIS 67 HD2 HIS 67 -5.626 -20.149 -0.808 396 HE1 HIS 67 HE1 HIS 67 -9.249 -19.344 -2.820 397 H PHE 68 HN PHE 68 -5.772 -19.507 1.592 398 HA PHE 68 HA PHE 68 -7.831 -19.042 3.713 399 1HB PHE 68 HB2 PHE 68 -4.954 -18.446 3.619 400 2HB PHE 68 HB1 PHE 68 -5.946 -17.062 4.082 401 HD1 PHE 68 HD1 PHE 68 -6.020 -20.769 4.717 402 HD2 PHE 68 HD2 PHE 68 -6.191 -16.811 6.380 403 HE1 PHE 68 HE1 PHE 68 -6.311 -21.733 6.983 404 HE2 PHE 68 HE2 PHE 68 -6.483 -17.777 8.646 405 HZ PHE 68 HZ PHE 68 -6.542 -20.238 8.947 406 H SER 69 HN SER 69 -9.215 -18.474 1.804 407 HA SER 69 HA SER 69 -8.967 -15.587 1.242 408 1HB SER 69 HB2 SER 69 -9.449 -17.428 -1.089 409 2HB SER 69 HB1 SER 69 -8.918 -15.748 -1.098 410 HG SER 69 HG SER 69 -6.959 -16.479 -1.061 411 H GLU 70 HN GLU 70 -10.920 -15.164 2.275 412 HA GLU 70 HA GLU 70 -13.345 -15.465 0.897 413 1HB GLU 70 HB2 GLU 70 -12.548 -17.869 2.340 414 2HB GLU 70 HB1 GLU 70 -14.109 -17.257 2.891 415 1HG GLU 70 HG2 GLU 70 -15.094 -17.485 0.789 416 2HG GLU 70 HG1 GLU 70 -13.546 -17.422 -0.054 417 HA PRO 71 HA PRO 71 -14.328 -14.472 5.545 418 1HB PRO 71 HB2 PRO 71 -11.809 -14.281 6.926 419 2HB PRO 71 HB1 PRO 71 -13.153 -15.382 7.257 420 1HG PRO 71 HG2 PRO 71 -10.604 -16.024 6.071 421 2HG PRO 71 HG1 PRO 71 -11.952 -17.120 6.403 422 1HD PRO 71 HD2 PRO 71 -11.058 -16.158 3.845 423 2HD PRO 71 HD1 PRO 71 -12.428 -17.233 4.184 424 H GLU 72 HN GLU 72 -14.228 -12.315 6.476 425 HA GLU 72 HA GLU 72 -13.463 -10.245 4.735 426 1HB GLU 72 HB2 GLU 72 -13.664 -10.106 7.760 427 2HB GLU 72 HB1 GLU 72 -13.739 -8.733 6.655 428 1HG GLU 72 HG2 GLU 72 -15.663 -11.069 6.530 429 2HG GLU 72 HG1 GLU 72 -15.994 -9.587 7.428 430 H ILE 73 HN ILE 73 -11.805 -10.937 7.833 431 HA ILE 73 HA ILE 73 -9.549 -9.408 7.533 432 HB ILE 73 HB ILE 73 -10.174 -11.025 9.433 433 1HG1 ILE 73 HG12 ILE 73 -7.427 -11.538 9.424 434 2HG1 ILE 73 HG11 ILE 73 -7.611 -10.074 8.455 435 1HG2 ILE 73 HG22 ILE 73 -10.247 -13.055 7.986 436 2HG2 ILE 73 HG21 ILE 73 -8.511 -12.899 7.719 437 3HG2 ILE 73 HG23 ILE 73 -9.128 -13.235 9.337 438 1HD1 ILE 73 HD11 ILE 73 -9.279 -9.433 10.445 439 2HD1 ILE 73 HD13 ILE 73 -8.226 -10.528 11.340 440 3HD1 ILE 73 HD12 ILE 73 -7.548 -9.106 10.547 441 H THR 74 HN THR 74 -9.986 -12.678 6.151 442 HA THR 74 HA THR 74 -7.428 -12.921 4.973 443 HB THR 74 HB THR 74 -9.137 -14.137 3.153 444 HG1 THR 74 HG1 THR 74 -11.003 -14.057 4.107 445 1HG2 THR 74 HG23 THR 74 -7.145 -15.023 4.494 446 2HG2 THR 74 HG22 THR 74 -8.300 -15.364 5.783 447 3HG2 THR 74 HG21 THR 74 -8.466 -16.157 4.217 448 H LEU 75 HN LEU 75 -10.409 -11.521 3.576 449 HA LEU 75 HA LEU 75 -9.106 -10.781 1.096 450 1HB LEU 75 HB2 LEU 75 -11.453 -11.007 0.951 451 2HB LEU 75 HB1 LEU 75 -11.726 -10.048 2.401 452 HG LEU 75 HG LEU 75 -10.464 -8.831 -0.056 453 1HD1 LEU 75 HD12 LEU 75 -13.401 -9.192 0.610 454 2HD1 LEU 75 HD11 LEU 75 -12.816 -7.997 -0.547 455 3HD1 LEU 75 HD13 LEU 75 -12.563 -9.715 -0.852 456 1HD2 LEU 75 HD22 LEU 75 -11.333 -7.950 2.588 457 2HD2 LEU 75 HD21 LEU 75 -10.364 -7.087 1.394 458 3HD2 LEU 75 HD23 LEU 75 -12.125 -7.027 1.311 459 H ILE 76 HN ILE 76 -9.976 -8.903 4.023 460 HA ILE 76 HA ILE 76 -8.974 -6.412 3.105 461 HB ILE 76 HB ILE 76 -8.846 -7.513 5.930 462 1HG1 ILE 76 HG12 ILE 76 -11.020 -5.799 4.730 463 2HG1 ILE 76 HG11 ILE 76 -11.111 -7.560 4.726 464 1HG2 ILE 76 HG21 ILE 76 -7.917 -5.087 4.804 465 2HG2 ILE 76 HG23 ILE 76 -9.393 -4.695 5.686 466 3HG2 ILE 76 HG22 ILE 76 -8.054 -5.491 6.515 467 1HD1 ILE 76 HD12 ILE 76 -10.468 -7.177 7.311 468 2HD1 ILE 76 HD11 ILE 76 -11.313 -5.660 7.007 469 3HD1 ILE 76 HD13 ILE 76 -12.139 -7.196 6.746 470 H ILE 77 HN ILE 77 -7.324 -9.040 4.864 471 HA ILE 77 HA ILE 77 -4.756 -7.844 4.985 472 HB ILE 77 HB ILE 77 -5.848 -10.608 5.166 473 1HG1 ILE 77 HG12 ILE 77 -4.741 -10.568 7.281 474 2HG1 ILE 77 HG11 ILE 77 -3.695 -9.237 6.789 475 1HG2 ILE 77 HG22 ILE 77 -2.989 -10.004 4.403 476 2HG2 ILE 77 HG21 ILE 77 -3.399 -11.435 5.350 477 3HG2 ILE 77 HG23 ILE 77 -4.069 -11.226 3.733 478 1HD1 ILE 77 HD13 ILE 77 -6.686 -8.887 6.821 479 2HD1 ILE 77 HD12 ILE 77 -5.750 -8.707 8.306 480 3HD1 ILE 77 HD11 ILE 77 -5.427 -7.656 6.927 481 H PHE 78 HN PHE 78 -6.174 -9.960 2.466 482 HA PHE 78 HA PHE 78 -3.901 -10.061 0.777 483 1HB PHE 78 HB2 PHE 78 -6.831 -10.416 0.393 484 2HB PHE 78 HB1 PHE 78 -5.889 -10.080 -1.058 485 HD1 PHE 78 HD1 PHE 78 -4.890 -11.923 2.037 486 HD2 PHE 78 HD2 PHE 78 -5.722 -12.148 -2.172 487 HE1 PHE 78 HE1 PHE 78 -4.089 -14.271 2.004 488 HE2 PHE 78 HE2 PHE 78 -4.920 -14.496 -2.205 489 HZ PHE 78 HZ PHE 78 -4.104 -15.556 -0.117 490 H GLY 79 HN GLY 79 -6.593 -7.684 0.764 491 1HA GLY 79 HA2 GLY 79 -5.622 -6.114 -1.393 492 2HA GLY 79 HA1 GLY 79 -6.615 -5.484 -0.076 493 H VAL 80 HN VAL 80 -4.980 -5.839 2.104 494 HA VAL 80 HA VAL 80 -3.251 -3.598 1.998 495 HB VAL 80 HB VAL 80 -3.061 -5.972 3.876 496 1HG1 VAL 80 HG13 VAL 80 -2.146 -3.088 4.060 497 2HG1 VAL 80 HG12 VAL 80 -2.192 -4.190 5.437 498 3HG1 VAL 80 HG11 VAL 80 -1.128 -4.529 4.071 499 1HG2 VAL 80 HG23 VAL 80 -5.306 -4.511 3.476 500 2HG2 VAL 80 HG22 VAL 80 -4.846 -5.135 5.060 501 3HG2 VAL 80 HG21 VAL 80 -4.480 -3.465 4.631 502 H MET 81 HN MET 81 -2.465 -7.081 1.776 503 HA MET 81 HA MET 81 0.346 -6.806 1.503 504 1HB MET 81 HB2 MET 81 -1.569 -8.845 0.333 505 2HB MET 81 HB1 MET 81 0.186 -8.988 0.223 506 1HG MET 81 HG2 MET 81 -1.041 -8.493 2.910 507 2HG MET 81 HG1 MET 81 -1.132 -10.116 2.228 508 1HE MET 81 HE1 MET 81 0.468 -11.403 1.426 509 2HE MET 81 HE3 MET 81 2.197 -11.435 1.803 510 3HE MET 81 HE2 MET 81 1.012 -11.847 3.041 511 H ALA 82 HN ALA 82 -2.203 -6.845 -0.983 512 HA ALA 82 HA ALA 82 -0.524 -6.534 -3.238 513 1HB ALA 82 HB1 ALA 82 -3.374 -6.275 -2.674 514 2HB ALA 82 HB3 ALA 82 -2.832 -5.074 -3.850 515 3HB ALA 82 HB2 ALA 82 -2.566 -6.789 -4.153 516 H GLY 83 HN GLY 83 -2.019 -4.013 -1.153 517 1HA GLY 83 HA2 GLY 83 -1.088 -1.772 -2.602 518 2HA GLY 83 HA1 GLY 83 -1.390 -1.775 -0.865 519 H VAL 84 HN VAL 84 0.538 -3.562 0.064 520 HA VAL 84 HA VAL 84 2.875 -1.947 0.140 521 HB VAL 84 HB VAL 84 2.775 -4.953 0.530 522 1HG1 VAL 84 HG13 VAL 84 4.811 -2.885 0.852 523 2HG1 VAL 84 HG12 VAL 84 4.515 -3.760 2.356 524 3HG1 VAL 84 HG11 VAL 84 4.982 -4.641 0.900 525 1HG2 VAL 84 HG23 VAL 84 1.361 -2.927 1.917 526 2HG2 VAL 84 HG22 VAL 84 1.558 -4.612 2.397 527 3HG2 VAL 84 HG21 VAL 84 2.704 -3.395 2.959 528 H ILE 85 HN ILE 85 2.194 -4.860 -1.827 529 HA ILE 85 HA ILE 85 4.668 -4.952 -3.209 530 HB ILE 85 HB ILE 85 1.872 -5.725 -4.087 531 1HG1 ILE 85 HG12 ILE 85 4.060 -7.682 -3.592 532 2HG1 ILE 85 HG11 ILE 85 3.413 -6.854 -2.175 533 1HG2 ILE 85 HG23 ILE 85 4.438 -5.661 -5.556 534 2HG2 ILE 85 HG22 ILE 85 3.571 -7.195 -5.640 535 3HG2 ILE 85 HG21 ILE 85 2.787 -5.710 -6.175 536 1HD1 ILE 85 HD13 ILE 85 1.590 -8.118 -4.221 537 2HD1 ILE 85 HD12 ILE 85 2.260 -9.054 -2.885 538 3HD1 ILE 85 HD11 ILE 85 1.222 -7.666 -2.556 539 H GLY 86 HN GLY 86 1.652 -3.227 -4.053 540 1HA GLY 86 HA2 GLY 86 2.523 -2.089 -6.488 541 2HA GLY 86 HA1 GLY 86 1.311 -1.366 -5.431 542 H THR 87 HN THR 87 2.806 -0.780 -3.163 543 HA THR 87 HA THR 87 4.044 1.669 -3.858 544 HB THR 87 HB THR 87 4.432 -0.086 -1.415 545 HG1 THR 87 HG1 THR 87 2.337 0.926 -1.979 546 1HG2 THR 87 HG21 THR 87 5.862 2.272 -2.281 547 2HG2 THR 87 HG23 THR 87 4.957 2.615 -0.807 548 3HG2 THR 87 HG22 THR 87 6.117 1.287 -0.840 549 H ILE 88 HN ILE 88 5.551 -1.498 -3.130 550 HA ILE 88 HA ILE 88 8.248 -0.684 -3.492 551 HB ILE 88 HB ILE 88 6.977 -3.357 -4.171 552 1HG1 ILE 88 HG12 ILE 88 8.187 -2.211 -1.640 553 2HG1 ILE 88 HG11 ILE 88 6.557 -2.844 -1.862 554 1HG2 ILE 88 HG23 ILE 88 9.268 -2.911 -5.145 555 2HG2 ILE 88 HG22 ILE 88 9.862 -2.716 -3.496 556 3HG2 ILE 88 HG21 ILE 88 9.209 -4.268 -4.020 557 1HD1 ILE 88 HD11 ILE 88 7.616 -5.083 -2.416 558 2HD1 ILE 88 HD13 ILE 88 9.152 -4.402 -1.881 559 3HD1 ILE 88 HD12 ILE 88 7.813 -4.559 -0.744 560 H LEU 89 HN LEU 89 5.900 -1.959 -5.852 561 HA LEU 89 HA LEU 89 7.587 -1.904 -8.124 562 1HB LEU 89 HB2 LEU 89 5.711 -2.770 -9.020 563 2HB LEU 89 HB1 LEU 89 4.815 -2.335 -7.571 564 HG LEU 89 HG LEU 89 4.506 -0.027 -8.559 565 1HD1 LEU 89 HD13 LEU 89 6.502 -0.677 -10.245 566 2HD1 LEU 89 HD12 LEU 89 5.131 -1.148 -11.247 567 3HD1 LEU 89 HD11 LEU 89 5.266 0.510 -10.662 568 1HD2 LEU 89 HD23 LEU 89 3.214 -2.495 -9.199 569 2HD2 LEU 89 HD22 LEU 89 2.512 -0.878 -9.166 570 3HD2 LEU 89 HD21 LEU 89 3.227 -1.499 -10.654 571 H LEU 90 HN LEU 90 5.453 0.655 -6.825 572 HA LEU 90 HA LEU 90 5.972 2.608 -8.817 573 1HB LEU 90 HB2 LEU 90 5.509 3.048 -5.849 574 2HB LEU 90 HB1 LEU 90 5.326 4.267 -7.110 575 HG LEU 90 HG LEU 90 3.766 1.670 -6.988 576 1HD1 LEU 90 HD13 LEU 90 3.137 4.483 -6.095 577 2HD1 LEU 90 HD12 LEU 90 1.855 3.358 -6.545 578 3HD1 LEU 90 HD11 LEU 90 2.932 2.975 -5.201 579 1HD2 LEU 90 HD21 LEU 90 3.678 4.095 -8.800 580 2HD2 LEU 90 HD23 LEU 90 3.947 2.415 -9.262 581 3HD2 LEU 90 HD22 LEU 90 2.357 2.932 -8.700 582 H ILE 91 HN ILE 91 7.723 1.985 -5.755 583 HA ILE 91 HA ILE 91 9.647 4.053 -6.032 584 HB ILE 91 HB ILE 91 10.040 1.289 -4.837 585 1HG1 ILE 91 HG12 ILE 91 9.313 3.857 -3.409 586 2HG1 ILE 91 HG11 ILE 91 8.090 2.722 -3.983 587 1HG2 ILE 91 HG22 ILE 91 11.528 3.909 -4.500 588 2HG2 ILE 91 HG21 ILE 91 11.747 2.510 -3.449 589 3HG2 ILE 91 HG23 ILE 91 12.168 2.404 -5.159 590 1HD1 ILE 91 HD11 ILE 91 10.319 1.520 -2.445 591 2HD1 ILE 91 HD13 ILE 91 9.237 2.564 -1.523 592 3HD1 ILE 91 HD12 ILE 91 8.592 1.167 -2.387 593 H SER 92 HN SER 92 9.795 0.665 -7.206 594 HA SER 92 HA SER 92 12.371 0.863 -8.383 595 1HB SER 92 HB2 SER 92 11.791 -1.073 -9.654 596 2HB SER 92 HB1 SER 92 10.900 -1.225 -8.143 597 HG SER 92 HG SER 92 9.507 -1.598 -9.860 598 H TYR 93 HN TYR 93 9.153 1.531 -9.782 599 HA TYR 93 HA TYR 93 10.033 2.346 -12.353 600 1HB TYR 93 HB2 TYR 93 7.599 2.144 -11.131 601 2HB TYR 93 HB1 TYR 93 7.794 3.896 -11.197 602 HD1 TYR 93 HD2 TYR 93 9.012 1.250 -13.545 603 HD2 TYR 93 HD1 TYR 93 6.425 4.629 -12.965 604 HE1 TYR 93 HE2 TYR 93 8.436 1.223 -15.957 605 HE2 TYR 93 HE1 TYR 93 5.848 4.603 -15.376 606 HH TYR 93 HH TYR 93 6.168 3.615 -17.330 607 H GLY 94 HN GLY 94 9.522 4.296 -9.394 608 1HA GLY 94 HA2 GLY 94 10.241 6.809 -10.476 609 2HA GLY 94 HA1 GLY 94 10.427 6.367 -8.779 610 H ILE 95 HN ILE 95 12.312 4.347 -8.901 611 HA ILE 95 HA ILE 95 14.753 5.787 -9.105 612 HB ILE 95 HB ILE 95 14.099 2.839 -9.065 613 1HG1 ILE 95 HG12 ILE 95 15.897 3.656 -7.035 614 2HG1 ILE 95 HG11 ILE 95 14.676 4.923 -7.152 615 1HG2 ILE 95 HG21 ILE 95 16.867 4.074 -9.228 616 2HG2 ILE 95 HG23 ILE 95 16.520 2.372 -8.923 617 3HG2 ILE 95 HG22 ILE 95 16.109 3.090 -10.480 618 1HD1 ILE 95 HD13 ILE 95 13.561 2.210 -7.299 619 2HD1 ILE 95 HD12 ILE 95 14.370 2.555 -5.771 620 3HD1 ILE 95 HD11 ILE 95 13.047 3.584 -6.321 621 H ARG 96 HN ARG 96 13.262 3.517 -11.432 622 HA ARG 96 HA ARG 96 15.270 3.671 -13.429 623 1HB ARG 96 HB2 ARG 96 12.272 3.367 -13.788 624 2HB ARG 96 HB1 ARG 96 13.493 2.985 -15.003 625 1HG ARG 96 HG2 ARG 96 14.333 1.166 -13.770 626 2HG ARG 96 HG1 ARG 96 13.613 1.736 -12.265 627 1HD ARG 96 HD2 ARG 96 11.356 1.436 -13.646 628 2HD ARG 96 HD1 ARG 96 12.339 0.279 -14.544 629 HE ARG 96 HE ARG 96 11.149 -0.437 -12.197 630 1HH1 ARG 96 HH11 ARG 96 13.394 0.729 -10.652 631 2HH1 ARG 96 HH12 ARG 96 14.515 -0.588 -10.556 632 1HH2 ARG 96 HH21 ARG 96 13.036 -2.381 -13.129 633 2HH2 ARG 96 HH22 ARG 96 14.311 -2.348 -11.958 634 H ARG 97 HN ARG 97 12.353 5.665 -12.970 635 HA ARG 97 HA ARG 97 12.697 7.355 -15.212 636 1HB ARG 97 HB2 ARG 97 10.710 7.236 -13.591 637 2HB ARG 97 HB1 ARG 97 11.641 8.312 -12.547 638 1HG ARG 97 HG2 ARG 97 11.773 9.981 -14.331 639 2HG ARG 97 HG1 ARG 97 10.926 8.897 -15.436 640 1HD ARG 97 HD2 ARG 97 9.093 8.875 -13.547 641 2HD ARG 97 HD1 ARG 97 9.860 10.384 -13.055 642 HE ARG 97 HE ARG 97 7.992 10.348 -15.046 643 1HH1 ARG 97 HH11 ARG 97 10.478 12.303 -14.420 644 2HH1 ARG 97 HH12 ARG 97 10.900 12.689 -16.056 645 1HH2 ARG 97 HH21 ARG 97 8.921 10.197 -17.434 646 2HH2 ARG 97 HH22 ARG 97 10.018 11.497 -17.762 647 H LEU 98 HN LEU 98 13.931 7.762 -11.880 648 HA LEU 98 HA LEU 98 15.207 10.260 -12.269 649 1HB LEU 98 HB2 LEU 98 15.476 7.996 -10.380 650 2HB LEU 98 HB1 LEU 98 16.911 9.010 -10.543 651 HG LEU 98 HG LEU 98 14.111 9.959 -9.869 652 1HD1 LEU 98 HD13 LEU 98 16.543 9.292 -8.312 653 2HD1 LEU 98 HD12 LEU 98 15.752 10.805 -7.873 654 3HD1 LEU 98 HD11 LEU 98 14.851 9.290 -7.815 655 1HD2 LEU 98 HD22 LEU 98 16.620 11.365 -10.692 656 2HD2 LEU 98 HD21 LEU 98 14.940 11.786 -11.026 657 3HD2 LEU 98 HD23 LEU 98 15.632 12.111 -9.436 658 H ILE 99 HN ILE 99 16.488 6.963 -12.745 659 HA ILE 99 HA ILE 99 19.045 7.897 -13.747 660 HB ILE 99 HB ILE 99 19.330 5.531 -14.460 661 1HG1 ILE 99 HG12 ILE 99 16.504 5.181 -13.415 662 2HG1 ILE 99 HG11 ILE 99 16.913 5.260 -15.128 663 1HG2 ILE 99 HG21 ILE 99 18.645 6.444 -11.763 664 2HG2 ILE 99 HG23 ILE 99 18.391 4.711 -11.977 665 3HG2 ILE 99 HG22 ILE 99 19.977 5.417 -12.293 666 1HD1 ILE 99 HD13 ILE 99 18.703 3.388 -14.045 667 2HD1 ILE 99 HD12 ILE 99 17.149 3.020 -13.297 668 3HD1 ILE 99 HD11 ILE 99 17.299 3.041 -15.054 669 H LYS 100 HN LYS 100 15.915 7.190 -15.156 670 HA LYS 100 HA LYS 100 17.054 7.776 -17.859 671 1HB LYS 100 HB2 LYS 100 16.123 5.574 -17.889 672 2HB LYS 100 HB1 LYS 100 14.689 6.094 -17.003 673 1HG LYS 100 HG2 LYS 100 13.651 6.736 -18.899 674 2HG LYS 100 HG1 LYS 100 15.058 7.658 -19.430 675 1HD LYS 100 HD2 LYS 100 15.956 5.874 -20.608 676 2HD LYS 100 HD1 LYS 100 15.172 4.669 -19.586 677 1HE LYS 100 HE2 LYS 100 13.290 6.398 -21.046 678 2HE LYS 100 HE1 LYS 100 14.300 5.397 -22.091 679 1HZ LYS 100 HZ3 LYS 100 12.803 4.342 -19.758 680 2HZ LYS 100 HZ2 LYS 100 12.195 4.331 -21.345 681 3HZ LYS 100 HZ1 LYS 100 13.597 3.450 -20.962 682 H LYS 101 HN LYS 101 16.672 9.910 -18.266 683 HA LYS 101 HA LYS 101 15.494 11.926 -18.520 684 1HB LYS 101 HB2 LYS 101 13.661 9.771 -19.121 685 2HB LYS 101 HB1 LYS 101 12.797 11.116 -18.378 686 1HG LYS 101 HG2 LYS 101 14.560 12.350 -20.152 687 2HG LYS 101 HG1 LYS 101 13.989 10.932 -21.032 688 1HD LYS 101 HD2 LYS 101 11.738 12.058 -19.704 689 2HD LYS 101 HD1 LYS 101 12.589 13.379 -20.507 690 1HE LYS 101 HE2 LYS 101 11.182 12.584 -22.206 691 2HE LYS 101 HE1 LYS 101 12.695 11.742 -22.541 692 1HZ LYS 101 HZ3 LYS 101 10.570 10.581 -20.839 693 2HZ LYS 101 HZ2 LYS 101 10.627 10.338 -22.519 694 3HZ LYS 101 HZ1 LYS 101 11.899 9.791 -21.536 No H/Q in entry = 694 Start of MODEL 17 1 1H VAL 62 HT2 VAL 62 -13.155 8.671 10.496 2 2H VAL 62 HT1 VAL 62 -11.503 8.813 10.122 3 3H VAL 62 HT3 VAL 62 -12.623 8.475 8.894 4 HA VAL 62 HA VAL 62 -12.411 6.311 9.220 5 HB VAL 62 HB VAL 62 -10.087 6.897 9.799 6 1HG1 VAL 62 HG13 VAL 62 -11.163 8.189 11.943 7 2HG1 VAL 62 HG12 VAL 62 -10.587 6.709 12.711 8 3HG1 VAL 62 HG11 VAL 62 -9.462 7.739 11.826 9 1HG2 VAL 62 HG21 VAL 62 -11.557 4.607 10.870 10 2HG2 VAL 62 HG23 VAL 62 -9.998 4.648 10.047 11 3HG2 VAL 62 HG22 VAL 62 -10.087 4.943 11.784 12 H GLN 63 HN GLN 63 -14.692 6.292 9.954 13 HA GLN 63 HA GLN 63 -15.019 4.836 12.404 14 1HB GLN 63 HB2 GLN 63 -16.167 6.451 13.773 15 2HB GLN 63 HB1 GLN 63 -14.638 7.180 13.287 16 1HG GLN 63 HG2 GLN 63 -17.234 7.616 11.791 17 2HG GLN 63 HG1 GLN 63 -16.649 8.700 13.054 18 1HE2 GLN 63 HE22 GLN 63 -15.298 9.311 9.396 19 2HE2 GLN 63 HE21 GLN 63 -16.760 8.547 9.795 20 H LEU 64 HN LEU 64 -17.418 4.498 12.865 21 HA LEU 64 HA LEU 64 -18.822 4.223 10.285 22 1HB LEU 64 HB2 LEU 64 -18.720 2.702 12.625 23 2HB LEU 64 HB1 LEU 64 -20.326 3.431 12.652 24 HG LEU 64 HG LEU 64 -20.307 1.253 11.451 25 1HD1 LEU 64 HD11 LEU 64 -21.257 3.796 10.458 26 2HD1 LEU 64 HD13 LEU 64 -20.894 2.718 9.111 27 3HD1 LEU 64 HD12 LEU 64 -22.027 2.213 10.363 28 1HD2 LEU 64 HD21 LEU 64 -17.883 2.170 10.448 29 2HD2 LEU 64 HD23 LEU 64 -18.763 0.755 9.870 30 3HD2 LEU 64 HD22 LEU 64 -18.972 2.311 9.067 31 H ALA 65 HN ALA 65 -18.912 6.750 10.323 32 HA ALA 65 HA ALA 65 -21.299 7.609 11.899 33 1HB ALA 65 HB3 ALA 65 -18.773 8.807 11.614 34 2HB ALA 65 HB2 ALA 65 -19.855 9.779 10.617 35 3HB ALA 65 HB1 ALA 65 -20.209 9.538 12.328 36 H HIS 66 HN HIS 66 -20.135 6.935 8.753 37 HA HIS 66 HA HIS 66 -22.724 7.585 7.585 38 1HB HIS 66 HB2 HIS 66 -20.339 9.341 7.142 39 2HB HIS 66 HB1 HIS 66 -21.417 9.032 5.780 40 HD1 HIS 66 HD1 HIS 66 -21.229 10.794 9.063 41 HD2 HIS 66 HD2 HIS 66 -24.098 10.030 6.136 42 HE1 HIS 66 HE1 HIS 66 -23.190 12.315 9.569 43 H HIS 67 HN HIS 67 -21.675 5.134 7.693 44 HA HIS 67 HA HIS 67 -20.744 4.653 4.898 45 1HB HIS 67 HB2 HIS 67 -19.653 3.444 7.450 46 2HB HIS 67 HB1 HIS 67 -19.374 2.733 5.861 47 HD1 HIS 67 HD1 HIS 67 -18.682 4.969 4.080 48 HD2 HIS 67 HD2 HIS 67 -17.429 4.953 8.055 49 HE1 HIS 67 HE1 HIS 67 -16.698 6.537 4.211 50 H PHE 68 HN PHE 68 -21.321 2.484 4.108 51 HA PHE 68 HA PHE 68 -23.986 1.714 4.905 52 1HB PHE 68 HB2 PHE 68 -22.145 1.105 2.772 53 2HB PHE 68 HB1 PHE 68 -22.813 -0.395 3.419 54 HD1 PHE 68 HD1 PHE 68 -24.501 2.911 3.455 55 HD2 PHE 68 HD2 PHE 68 -24.302 -0.972 1.629 56 HE1 PHE 68 HE1 PHE 68 -26.640 3.354 2.281 57 HE2 PHE 68 HE2 PHE 68 -26.443 -0.530 0.456 58 HZ PHE 68 HZ PHE 68 -27.611 1.634 0.782 59 H SER 69 HN SER 69 -23.880 -1.101 4.858 60 HA SER 69 HA SER 69 -22.688 -1.604 7.538 61 1HB SER 69 HB2 SER 69 -25.157 -2.305 6.347 62 2HB SER 69 HB1 SER 69 -24.249 -3.806 6.516 63 HG SER 69 HG SER 69 -23.991 -3.359 8.696 64 H GLU 70 HN GLU 70 -21.101 -3.149 7.827 65 HA GLU 70 HA GLU 70 -19.259 -4.457 7.159 66 1HB GLU 70 HB2 GLU 70 -21.739 -5.686 6.230 67 2HB GLU 70 HB1 GLU 70 -20.359 -6.149 5.233 68 1HG GLU 70 HG2 GLU 70 -19.757 -7.604 6.840 69 2HG GLU 70 HG1 GLU 70 -19.443 -6.230 7.901 70 HA PRO 71 HA PRO 71 -18.806 -1.851 3.311 71 1HB PRO 71 HB2 PRO 71 -16.228 -1.115 4.368 72 2HB PRO 71 HB1 PRO 71 -17.640 -0.078 4.119 73 1HG PRO 71 HG2 PRO 71 -16.583 -1.025 6.623 74 2HG PRO 71 HG1 PRO 71 -18.010 -0.013 6.367 75 1HD PRO 71 HD2 PRO 71 -17.930 -2.786 7.157 76 2HD PRO 71 HD1 PRO 71 -19.359 -1.765 6.900 77 H GLU 72 HN GLU 72 -18.535 -3.871 2.151 78 HA GLU 72 HA GLU 72 -16.251 -5.574 2.473 79 1HB GLU 72 HB2 GLU 72 -16.884 -6.176 -0.022 80 2HB GLU 72 HB1 GLU 72 -17.948 -6.644 1.302 81 1HG GLU 72 HG2 GLU 72 -19.553 -5.087 0.749 82 2HG GLU 72 HG1 GLU 72 -18.373 -3.946 0.102 83 H ILE 73 HN ILE 73 -16.682 -4.163 -0.716 84 HA ILE 73 HA ILE 73 -14.018 -3.884 -1.359 85 HB ILE 73 HB ILE 73 -16.103 -3.405 -2.796 86 1HG1 ILE 73 HG12 ILE 73 -14.606 -1.375 -3.866 87 2HG1 ILE 73 HG11 ILE 73 -13.420 -2.204 -2.857 88 1HG2 ILE 73 HG22 ILE 73 -16.867 -1.572 -1.169 89 2HG2 ILE 73 HG21 ILE 73 -15.604 -0.567 -1.880 90 3HG2 ILE 73 HG23 ILE 73 -16.921 -1.171 -2.885 91 1HD1 ILE 73 HD11 ILE 73 -14.785 -4.292 -4.060 92 2HD1 ILE 73 HD13 ILE 73 -14.683 -3.089 -5.346 93 3HD1 ILE 73 HD12 ILE 73 -13.212 -3.672 -4.566 94 H THR 74 HN THR 74 -15.958 -1.736 0.654 95 HA THR 74 HA THR 74 -14.111 0.446 0.762 96 HB THR 74 HB THR 74 -15.433 0.176 3.281 97 HG1 THR 74 HG1 THR 74 -17.596 0.168 2.019 98 1HG2 THR 74 HG23 THR 74 -16.041 1.836 0.820 99 2HG2 THR 74 HG22 THR 74 -16.681 2.144 2.435 100 3HG2 THR 74 HG21 THR 74 -14.949 2.284 2.130 101 H LEU 75 HN LEU 75 -14.509 -2.406 2.884 102 HA LEU 75 HA LEU 75 -12.267 -1.694 4.573 103 1HB LEU 75 HB2 LEU 75 -14.266 -3.419 4.945 104 2HB LEU 75 HB1 LEU 75 -13.100 -4.551 4.259 105 HG LEU 75 HG LEU 75 -12.818 -2.862 6.750 106 1HD1 LEU 75 HD11 LEU 75 -13.704 -5.430 6.378 107 2HD1 LEU 75 HD13 LEU 75 -11.985 -5.690 6.671 108 3HD1 LEU 75 HD12 LEU 75 -12.962 -4.839 7.865 109 1HD2 LEU 75 HD22 LEU 75 -10.701 -4.155 5.029 110 2HD2 LEU 75 HD21 LEU 75 -10.706 -2.542 5.742 111 3HD2 LEU 75 HD23 LEU 75 -10.457 -3.956 6.764 112 H ILE 76 HN ILE 76 -12.625 -4.014 1.857 113 HA ILE 76 HA ILE 76 -9.953 -4.965 1.917 114 HB ILE 76 HB ILE 76 -11.647 -4.471 -0.554 115 1HG1 ILE 76 HG12 ILE 76 -11.455 -6.995 1.110 116 2HG1 ILE 76 HG11 ILE 76 -12.739 -5.806 1.325 117 1HG2 ILE 76 HG22 ILE 76 -9.098 -5.078 -0.649 118 2HG2 ILE 76 HG21 ILE 76 -9.647 -6.680 -0.157 119 3HG2 ILE 76 HG23 ILE 76 -10.233 -5.970 -1.662 120 1HD1 ILE 76 HD11 ILE 76 -12.185 -6.812 -1.439 121 2HD1 ILE 76 HD13 ILE 76 -13.058 -7.863 -0.322 122 3HD1 ILE 76 HD12 ILE 76 -13.707 -6.274 -0.727 123 H ILE 77 HN ILE 77 -11.363 -2.186 0.173 124 HA ILE 77 HA ILE 77 -8.954 -1.253 -1.015 125 HB ILE 77 HB ILE 77 -11.461 0.164 -0.088 126 1HG1 ILE 77 HG12 ILE 77 -10.291 -0.456 -2.820 127 2HG1 ILE 77 HG11 ILE 77 -11.632 -1.312 -2.058 128 1HG2 ILE 77 HG21 ILE 77 -9.546 1.732 0.074 129 2HG2 ILE 77 HG23 ILE 77 -9.113 1.357 -1.595 130 3HG2 ILE 77 HG22 ILE 77 -10.637 2.172 -1.240 131 1HD1 ILE 77 HD12 ILE 77 -12.082 1.559 -2.055 132 2HD1 ILE 77 HD11 ILE 77 -11.822 0.955 -3.691 133 3HD1 ILE 77 HD13 ILE 77 -13.105 0.272 -2.693 134 H PHE 78 HN PHE 78 -10.452 -0.475 2.123 135 HA PHE 78 HA PHE 78 -8.488 1.352 3.036 136 1HB PHE 78 HB2 PHE 78 -10.645 -0.208 4.254 137 2HB PHE 78 HB1 PHE 78 -9.262 -0.022 5.330 138 HD1 PHE 78 HD2 PHE 78 -10.923 2.153 2.752 139 HD2 PHE 78 HD1 PHE 78 -9.498 1.771 6.787 140 HE1 PHE 78 HE2 PHE 78 -11.582 4.501 3.208 141 HE2 PHE 78 HE1 PHE 78 -10.155 4.119 7.241 142 HZ PHE 78 HZ PHE 78 -11.196 5.484 5.452 143 H GLY 79 HN GLY 79 -8.631 -2.207 3.451 144 1HA GLY 79 HA2 GLY 79 -6.247 -2.463 4.966 145 2HA GLY 79 HA1 GLY 79 -6.874 -3.716 3.892 146 H VAL 80 HN VAL 80 -6.699 -2.504 1.412 147 HA VAL 80 HA VAL 80 -3.962 -2.831 0.719 148 HB VAL 80 HB VAL 80 -6.122 -1.261 -0.720 149 1HG1 VAL 80 HG13 VAL 80 -3.539 -1.004 -1.281 150 2HG1 VAL 80 HG12 VAL 80 -3.785 -2.562 -2.071 151 3HG1 VAL 80 HG11 VAL 80 -4.728 -1.159 -2.573 152 1HG2 VAL 80 HG21 VAL 80 -6.122 -3.930 -0.122 153 2HG2 VAL 80 HG23 VAL 80 -6.875 -3.249 -1.565 154 3HG2 VAL 80 HG22 VAL 80 -5.253 -3.935 -1.657 155 H MET 81 HN MET 81 -5.863 0.129 1.253 156 HA MET 81 HA MET 81 -3.782 2.004 0.817 157 1HB MET 81 HB2 MET 81 -6.092 2.183 2.779 158 2HB MET 81 HB1 MET 81 -5.138 3.543 2.184 159 1HG MET 81 HG2 MET 81 -6.100 1.960 -0.036 160 2HG MET 81 HG1 MET 81 -7.446 2.444 0.996 161 1HE MET 81 HE2 MET 81 -7.980 3.424 -1.452 162 2HE MET 81 HE1 MET 81 -7.267 4.898 -2.103 163 3HE MET 81 HE3 MET 81 -6.365 3.377 -2.155 164 H ALA 82 HN ALA 82 -4.816 0.393 3.829 165 HA ALA 82 HA ALA 82 -2.961 1.637 5.558 166 1HB ALA 82 HB2 ALA 82 -4.702 -0.709 5.663 167 2HB ALA 82 HB1 ALA 82 -3.201 -0.949 6.565 168 3HB ALA 82 HB3 ALA 82 -4.251 0.415 6.941 169 H GLY 83 HN GLY 83 -2.542 -1.398 3.647 170 1HA GLY 83 HA2 GLY 83 0.073 -1.971 4.590 171 2HA GLY 83 HA1 GLY 83 -0.535 -2.428 2.996 172 H VAL 84 HN VAL 84 -1.005 0.006 1.822 173 HA VAL 84 HA VAL 84 1.557 0.807 0.916 174 HB VAL 84 HB VAL 84 -1.019 2.405 0.902 175 1HG1 VAL 84 HG12 VAL 84 1.689 2.865 -0.169 176 2HG1 VAL 84 HG11 VAL 84 0.402 3.048 -1.361 177 3HG1 VAL 84 HG13 VAL 84 0.381 4.014 0.115 178 1HG2 VAL 84 HG23 VAL 84 0.132 0.270 -0.892 179 2HG2 VAL 84 HG22 VAL 84 -1.497 0.386 -0.225 180 3HG2 VAL 84 HG21 VAL 84 -0.997 1.469 -1.524 181 H ILE 85 HN ILE 85 -0.579 2.414 3.319 182 HA ILE 85 HA ILE 85 1.117 4.616 3.832 183 HB ILE 85 HB ILE 85 -1.321 3.874 4.747 184 1HG1 ILE 85 HG12 ILE 85 -0.542 5.727 6.643 185 2HG1 ILE 85 HG11 ILE 85 0.643 5.965 5.357 186 1HG2 ILE 85 HG21 ILE 85 -0.397 2.232 6.351 187 2HG2 ILE 85 HG23 ILE 85 0.561 3.508 7.100 188 3HG2 ILE 85 HG22 ILE 85 -1.200 3.559 7.187 189 1HD1 ILE 85 HD12 ILE 85 -2.324 5.794 4.799 190 2HD1 ILE 85 HD11 ILE 85 -1.522 7.322 5.162 191 3HD1 ILE 85 HD13 ILE 85 -1.052 6.396 3.737 192 H GLY 86 HN GLY 86 1.057 1.429 5.483 193 1HA GLY 86 HA2 GLY 86 3.131 1.981 7.337 194 2HA GLY 86 HA1 GLY 86 2.757 0.371 6.714 195 H THR 87 HN THR 87 3.312 0.630 4.042 196 HA THR 87 HA THR 87 6.133 0.340 3.916 197 HB THR 87 HB THR 87 4.401 1.184 1.583 198 HG1 THR 87 HG1 THR 87 3.359 -0.515 2.593 199 1HG2 THR 87 HG23 THR 87 6.932 -0.439 1.917 200 2HG2 THR 87 HG22 THR 87 6.001 -0.417 0.420 201 3HG2 THR 87 HG21 THR 87 6.731 1.069 1.026 202 H ILE 88 HN ILE 88 4.067 3.107 3.036 203 HA ILE 88 HA ILE 88 6.104 4.849 2.136 204 HB ILE 88 HB ILE 88 3.509 5.456 3.583 205 1HG1 ILE 88 HG12 ILE 88 4.334 5.379 0.666 206 2HG1 ILE 88 HG11 ILE 88 3.146 4.348 1.463 207 1HG2 ILE 88 HG21 ILE 88 5.708 7.180 3.006 208 2HG2 ILE 88 HG23 ILE 88 4.404 7.584 1.889 209 3HG2 ILE 88 HG22 ILE 88 4.119 7.620 3.630 210 1HD1 ILE 88 HD11 ILE 88 2.167 6.823 2.070 211 2HD1 ILE 88 HD13 ILE 88 2.874 7.123 0.483 212 3HD1 ILE 88 HD12 ILE 88 1.647 5.871 0.678 213 H LEU 89 HN LEU 89 4.798 4.427 5.447 214 HA LEU 89 HA LEU 89 6.438 6.384 6.671 215 1HB LEU 89 HB2 LEU 89 5.591 5.623 8.653 216 2HB LEU 89 HB1 LEU 89 4.482 4.760 7.594 217 HG LEU 89 HG LEU 89 6.204 2.838 7.659 218 1HD1 LEU 89 HD12 LEU 89 7.422 4.810 9.451 219 2HD1 LEU 89 HD11 LEU 89 7.230 3.227 10.203 220 3HD1 LEU 89 HD13 LEU 89 8.140 3.384 8.701 221 1HD2 LEU 89 HD23 LEU 89 4.667 3.684 10.128 222 2HD2 LEU 89 HD22 LEU 89 4.067 2.686 8.803 223 3HD2 LEU 89 HD21 LEU 89 5.322 2.066 9.874 224 H LEU 90 HN LEU 90 7.083 2.904 6.121 225 HA LEU 90 HA LEU 90 9.656 2.839 7.339 226 1HB LEU 90 HB2 LEU 90 8.453 1.287 5.037 227 2HB LEU 90 HB1 LEU 90 10.092 0.981 5.612 228 HG LEU 90 HG LEU 90 7.562 0.830 7.279 229 1HD1 LEU 90 HD13 LEU 90 9.452 -1.246 6.145 230 2HD1 LEU 90 HD12 LEU 90 8.328 -1.597 7.458 231 3HD1 LEU 90 HD11 LEU 90 7.714 -1.108 5.879 232 1HD2 LEU 90 HD22 LEU 90 10.429 1.009 7.952 233 2HD2 LEU 90 HD21 LEU 90 9.016 1.312 8.963 234 3HD2 LEU 90 HD23 LEU 90 9.589 -0.338 8.721 235 H ILE 91 HN ILE 91 8.733 3.557 3.967 236 HA ILE 91 HA ILE 91 11.340 4.012 2.951 237 HB ILE 91 HB ILE 91 8.782 5.442 2.167 238 1HG1 ILE 91 HG12 ILE 91 9.984 2.929 0.973 239 2HG1 ILE 91 HG11 ILE 91 8.706 2.899 2.188 240 1HG2 ILE 91 HG22 ILE 91 11.531 5.253 1.032 241 2HG2 ILE 91 HG21 ILE 91 10.187 5.185 -0.109 242 3HG2 ILE 91 HG23 ILE 91 10.373 6.580 0.955 243 1HD1 ILE 91 HD12 ILE 91 7.767 4.737 0.337 244 2HD1 ILE 91 HD11 ILE 91 8.538 3.513 -0.670 245 3HD1 ILE 91 HD13 ILE 91 7.260 3.052 0.455 246 H SER 92 HN SER 92 9.061 6.337 4.442 247 HA SER 92 HA SER 92 10.713 8.622 4.170 248 1HB SER 92 HB2 SER 92 9.368 8.654 6.723 249 2HB SER 92 HB1 SER 92 9.001 9.584 5.274 250 HG SER 92 HG SER 92 7.503 8.180 4.754 251 H TYR 93 HN TYR 93 10.541 6.239 6.839 252 HA TYR 93 HA TYR 93 12.573 7.396 8.449 253 1HB TYR 93 HB2 TYR 93 11.043 5.445 9.050 254 2HB TYR 93 HB1 TYR 93 12.136 4.419 8.119 255 HD1 TYR 93 HD1 TYR 93 14.687 4.627 8.702 256 HD2 TYR 93 HD2 TYR 93 11.502 5.857 11.309 257 HE1 TYR 93 HE1 TYR 93 16.227 4.502 10.642 258 HE2 TYR 93 HE2 TYR 93 13.042 5.731 13.249 259 HH TYR 93 HH TYR 93 16.448 4.745 12.831 260 H GLY 94 HN GLY 94 12.846 4.932 5.860 261 1HA GLY 94 HA2 GLY 94 15.655 4.586 5.996 262 2HA GLY 94 HA1 GLY 94 14.691 4.343 4.538 263 H ILE 95 HN ILE 95 13.732 6.873 4.035 264 HA ILE 95 HA ILE 95 15.920 8.143 2.740 265 HB ILE 95 HB ILE 95 13.160 9.092 3.519 266 1HG1 ILE 95 HG12 ILE 95 13.748 9.328 0.752 267 2HG1 ILE 95 HG11 ILE 95 14.395 7.771 1.272 268 1HG2 ILE 95 HG22 ILE 95 15.489 10.724 2.752 269 2HG2 ILE 95 HG21 ILE 95 14.076 10.969 1.725 270 3HG2 ILE 95 HG23 ILE 95 13.955 11.220 3.467 271 1HD1 ILE 95 HD12 ILE 95 11.872 8.059 2.532 272 2HD1 ILE 95 HD11 ILE 95 11.649 8.523 0.845 273 3HD1 ILE 95 HD13 ILE 95 12.308 6.938 1.243 274 H ARG 96 HN ARG 96 14.330 8.943 5.834 275 HA ARG 96 HA ARG 96 15.915 11.195 6.503 276 1HB ARG 96 HB2 ARG 96 13.849 10.222 7.728 277 2HB ARG 96 HB1 ARG 96 15.009 9.192 8.567 278 1HG ARG 96 HG2 ARG 96 15.200 10.933 10.012 279 2HG ARG 96 HG1 ARG 96 16.210 11.654 8.758 280 1HD ARG 96 HD2 ARG 96 14.406 13.195 9.523 281 2HD ARG 96 HD1 ARG 96 14.275 12.804 7.809 282 HE ARG 96 HE ARG 96 12.676 10.908 9.050 283 1HH1 ARG 96 HH11 ARG 96 12.477 13.311 11.022 284 2HH1 ARG 96 HH12 ARG 96 11.003 14.031 10.466 285 1HH2 ARG 96 HH21 ARG 96 10.959 12.274 7.477 286 2HH2 ARG 96 HH22 ARG 96 10.143 13.444 8.459 287 H ARG 97 HN ARG 97 16.456 7.747 7.254 288 HA ARG 97 HA ARG 97 18.861 8.064 8.708 289 1HB ARG 97 HB2 ARG 97 17.467 5.923 8.323 290 2HB ARG 97 HB1 ARG 97 18.383 5.751 6.825 291 1HG ARG 97 HG2 ARG 97 20.485 6.039 8.290 292 2HG ARG 97 HG1 ARG 97 19.417 5.737 9.662 293 1HD ARG 97 HD2 ARG 97 19.009 3.811 7.503 294 2HD ARG 97 HD1 ARG 97 20.665 3.791 8.113 295 HE ARG 97 HE ARG 97 19.129 3.778 10.411 296 1HH1 ARG 97 HH21 ARG 97 17.590 2.327 7.953 297 2HH1 ARG 97 HH22 ARG 97 17.773 0.692 8.495 298 1HH2 ARG 97 HH11 ARG 97 20.100 1.485 10.941 299 2HH2 ARG 97 HH12 ARG 97 19.195 0.216 10.186 300 H LEU 98 HN LEU 98 18.407 7.581 5.192 301 HA LEU 98 HA LEU 98 21.147 7.561 4.489 302 1HB LEU 98 HB2 LEU 98 19.993 7.061 2.593 303 2HB LEU 98 HB1 LEU 98 18.568 7.947 3.126 304 HG LEU 98 HG LEU 98 19.611 10.062 2.445 305 1HD1 LEU 98 HD13 LEU 98 21.972 8.387 2.379 306 2HD1 LEU 98 HD12 LEU 98 21.759 9.204 0.831 307 3HD1 LEU 98 HD11 LEU 98 21.860 10.147 2.319 308 1HD2 LEU 98 HD22 LEU 98 18.392 8.378 0.818 309 2HD2 LEU 98 HD21 LEU 98 19.197 9.803 0.162 310 3HD2 LEU 98 HD23 LEU 98 19.994 8.232 0.095 311 H ILE 99 HN ILE 99 18.884 10.306 4.769 312 HA ILE 99 HA ILE 99 20.911 12.287 4.164 313 HB ILE 99 HB ILE 99 19.207 13.897 5.019 314 1HG1 ILE 99 HG12 ILE 99 17.573 11.397 5.552 315 2HG1 ILE 99 HG11 ILE 99 18.372 12.334 6.814 316 1HG2 ILE 99 HG22 ILE 99 19.157 12.907 2.681 317 2HG2 ILE 99 HG21 ILE 99 17.955 11.760 3.273 318 3HG2 ILE 99 HG23 ILE 99 17.600 13.488 3.271 319 1HD1 ILE 99 HD13 ILE 99 16.972 14.224 5.274 320 2HD1 ILE 99 HD12 ILE 99 15.861 12.867 5.465 321 3HD1 ILE 99 HD11 ILE 99 16.547 13.653 6.887 322 H LYS 100 HN LYS 100 19.791 10.690 7.079 323 HA LYS 100 HA LYS 100 21.297 12.557 8.806 324 1HB LYS 100 HB2 LYS 100 19.009 11.328 9.325 325 2HB LYS 100 HB1 LYS 100 20.074 10.009 9.812 326 1HG LYS 100 HG2 LYS 100 21.174 11.379 11.445 327 2HG LYS 100 HG1 LYS 100 20.407 12.842 10.824 328 1HD LYS 100 HD2 LYS 100 18.842 12.507 12.424 329 2HD LYS 100 HD1 LYS 100 18.244 11.213 11.384 330 1HE LYS 100 HE2 LYS 100 19.135 9.560 12.696 331 2HE LYS 100 HE1 LYS 100 20.542 10.527 13.137 332 1HZ LYS 100 HZ1 LYS 100 18.430 11.857 14.239 333 2HZ LYS 100 HZ3 LYS 100 18.050 10.224 14.499 334 3HZ LYS 100 HZ2 LYS 100 19.523 10.853 15.066 335 H LYS 101 HN LYS 101 22.917 11.621 10.355 336 HA LYS 101 HA LYS 101 24.083 9.038 9.945 337 1HB LYS 101 HB2 LYS 101 24.739 9.973 7.766 338 2HB LYS 101 HB1 LYS 101 25.500 11.345 8.572 339 1HG LYS 101 HG2 LYS 101 27.301 9.877 8.170 340 2HG LYS 101 HG1 LYS 101 26.878 9.560 9.852 341 1HD LYS 101 HD2 LYS 101 26.285 7.432 9.394 342 2HD LYS 101 HD1 LYS 101 25.301 7.933 8.018 343 1HE LYS 101 HE2 LYS 101 26.902 7.292 6.571 344 2HE LYS 101 HE1 LYS 101 28.107 8.271 7.407 345 1HZ LYS 101 HZ1 LYS 101 27.957 6.323 9.125 346 2HZ LYS 101 HZ3 LYS 101 27.421 5.446 7.775 347 3HZ LYS 101 HZ2 LYS 101 28.945 6.197 7.749 348 1H VAL 62 HT2 VAL 62 -11.136 -18.130 -12.171 349 2H VAL 62 HT1 VAL 62 -9.693 -18.845 -12.716 350 3H VAL 62 HT3 VAL 62 -10.762 -18.141 -13.829 351 HA VAL 62 HA VAL 62 -12.213 -19.872 -13.790 352 HB VAL 62 HB VAL 62 -9.507 -20.993 -13.027 353 1HG1 VAL 62 HG12 VAL 62 -12.115 -22.340 -13.586 354 2HG1 VAL 62 HG11 VAL 62 -10.658 -23.056 -14.275 355 3HG1 VAL 62 HG13 VAL 62 -10.796 -22.846 -12.530 356 1HG2 VAL 62 HG23 VAL 62 -9.762 -19.716 -15.179 357 2HG2 VAL 62 HG22 VAL 62 -9.315 -21.407 -15.415 358 3HG2 VAL 62 HG21 VAL 62 -10.980 -20.890 -15.677 359 H GLN 63 HN GLN 63 -13.686 -19.513 -12.035 360 HA GLN 63 HA GLN 63 -13.614 -21.524 -9.964 361 1HB GLN 63 HB2 GLN 63 -13.698 -19.566 -8.146 362 2HB GLN 63 HB1 GLN 63 -12.172 -20.301 -8.636 363 1HG GLN 63 HG2 GLN 63 -11.500 -18.451 -9.814 364 2HG GLN 63 HG1 GLN 63 -13.142 -18.034 -10.299 365 1HE2 GLN 63 HE22 GLN 63 -13.546 -15.718 -7.685 366 2HE2 GLN 63 HE21 GLN 63 -14.100 -16.328 -9.169 367 H LEU 64 HN LEU 64 -15.729 -21.985 -9.631 368 HA LEU 64 HA LEU 64 -17.744 -19.889 -10.280 369 1HB LEU 64 HB2 LEU 64 -17.603 -22.789 -10.587 370 2HB LEU 64 HB1 LEU 64 -19.097 -22.273 -9.804 371 HG LEU 64 HG LEU 64 -19.497 -20.658 -11.629 372 1HD1 LEU 64 HD11 LEU 64 -16.929 -21.841 -12.719 373 2HD1 LEU 64 HD13 LEU 64 -18.040 -20.865 -13.679 374 3HD1 LEU 64 HD12 LEU 64 -17.223 -20.158 -12.284 375 1HD2 LEU 64 HD21 LEU 64 -19.323 -23.573 -11.971 376 2HD2 LEU 64 HD23 LEU 64 -20.649 -22.475 -12.354 377 3HD2 LEU 64 HD22 LEU 64 -19.322 -22.687 -13.496 378 H ALA 65 HN ALA 65 -16.369 -19.698 -7.767 379 HA ALA 65 HA ALA 65 -18.645 -20.322 -5.932 380 1HB ALA 65 HB2 ALA 65 -15.675 -20.451 -5.332 381 2HB ALA 65 HB1 ALA 65 -16.946 -20.604 -4.119 382 3HB ALA 65 HB3 ALA 65 -16.794 -21.814 -5.394 383 H HIS 66 HN HIS 66 -17.981 -17.851 -7.465 384 HA HIS 66 HA HIS 66 -17.555 -16.028 -5.130 385 1HB HIS 66 HB2 HIS 66 -16.428 -14.478 -6.540 386 2HB HIS 66 HB1 HIS 66 -15.750 -16.053 -6.954 387 HD1 HIS 66 HD1 HIS 66 -17.004 -17.257 -9.096 388 HD2 HIS 66 HD2 HIS 66 -17.451 -13.128 -8.729 389 HE1 HIS 66 HE1 HIS 66 -17.764 -16.413 -11.360 390 H HIS 67 HN HIS 67 -19.406 -14.976 -4.614 391 HA HIS 67 HA HIS 67 -21.197 -14.118 -6.838 392 1HB HIS 67 HB2 HIS 67 -23.044 -14.597 -4.945 393 2HB HIS 67 HB1 HIS 67 -22.561 -15.822 -6.117 394 HD1 HIS 67 HD1 HIS 67 -22.366 -14.950 -2.501 395 HD2 HIS 67 HD2 HIS 67 -20.780 -17.835 -5.059 396 HE1 HIS 67 HE1 HIS 67 -21.379 -16.754 -1.022 397 H PHE 68 HN PHE 68 -20.815 -13.835 -3.280 398 HA PHE 68 HA PHE 68 -21.189 -10.887 -3.633 399 1HB PHE 68 HB2 PHE 68 -22.612 -12.766 -1.965 400 2HB PHE 68 HB1 PHE 68 -21.789 -11.574 -0.957 401 HD1 PHE 68 HD2 PHE 68 -23.397 -11.424 -4.345 402 HD2 PHE 68 HD1 PHE 68 -23.250 -9.862 -0.348 403 HE1 PHE 68 HE2 PHE 68 -25.106 -9.729 -4.947 404 HE2 PHE 68 HE1 PHE 68 -24.959 -8.167 -0.947 405 HZ PHE 68 HZ PHE 68 -25.886 -8.100 -3.247 406 H SER 69 HN SER 69 -18.651 -12.108 -3.801 407 HA SER 69 HA SER 69 -16.514 -12.092 -2.813 408 1HB SER 69 HB2 SER 69 -17.561 -9.567 -2.801 409 2HB SER 69 HB1 SER 69 -17.197 -9.787 -1.091 410 HG SER 69 HG SER 69 -15.300 -10.585 -2.988 411 H GLU 70 HN GLU 70 -18.253 -13.859 -1.490 412 HA GLU 70 HA GLU 70 -18.689 -13.604 1.229 413 1HB GLU 70 HB2 GLU 70 -18.301 -15.797 -0.602 414 2HB GLU 70 HB1 GLU 70 -17.517 -16.163 0.935 415 1HG GLU 70 HG2 GLU 70 -20.321 -15.051 0.832 416 2HG GLU 70 HG1 GLU 70 -20.015 -16.783 0.707 417 HA PRO 71 HA PRO 71 -14.085 -14.867 2.120 418 1HB PRO 71 HB2 PRO 71 -12.554 -14.181 -0.225 419 2HB PRO 71 HB1 PRO 71 -12.745 -15.772 0.523 420 1HG PRO 71 HG2 PRO 71 -13.881 -14.863 -1.954 421 2HG PRO 71 HG1 PRO 71 -14.116 -16.431 -1.172 422 1HD PRO 71 HD2 PRO 71 -16.001 -14.253 -1.397 423 2HD PRO 71 HD1 PRO 71 -16.252 -15.847 -0.657 424 H GLU 72 HN GLU 72 -15.171 -12.620 2.849 425 HA GLU 72 HA GLU 72 -14.125 -10.192 1.716 426 1HB GLU 72 HB2 GLU 72 -16.144 -10.613 3.365 427 2HB GLU 72 HB1 GLU 72 -14.913 -10.367 4.604 428 1HG GLU 72 HG2 GLU 72 -15.680 -8.187 4.258 429 2HG GLU 72 HG1 GLU 72 -14.285 -8.256 3.180 430 H ILE 73 HN ILE 73 -13.405 -11.347 5.032 431 HA ILE 73 HA ILE 73 -11.104 -9.900 5.480 432 HB ILE 73 HB ILE 73 -12.283 -11.600 7.017 433 1HG1 ILE 73 HG12 ILE 73 -9.701 -12.243 7.785 434 2HG1 ILE 73 HG11 ILE 73 -9.487 -10.774 6.833 435 1HG2 ILE 73 HG22 ILE 73 -12.019 -13.535 5.475 436 2HG2 ILE 73 HG21 ILE 73 -10.270 -13.438 5.684 437 3HG2 ILE 73 HG23 ILE 73 -11.300 -13.845 7.057 438 1HD1 ILE 73 HD13 ILE 73 -11.680 -10.100 8.292 439 2HD1 ILE 73 HD12 ILE 73 -10.844 -11.151 9.436 440 3HD1 ILE 73 HD11 ILE 73 -10.029 -9.728 8.787 441 H THR 74 HN THR 74 -11.279 -13.052 3.811 442 HA THR 74 HA THR 74 -8.522 -13.383 3.295 443 HB THR 74 HB THR 74 -9.185 -14.840 1.469 444 HG1 THR 74 HG1 THR 74 -10.749 -14.134 0.287 445 1HG2 THR 74 HG22 THR 74 -9.670 -15.599 3.786 446 2HG2 THR 74 HG21 THR 74 -11.290 -14.917 3.649 447 3HG2 THR 74 HG23 THR 74 -10.809 -16.263 2.616 448 H LEU 75 HN LEU 75 -10.981 -11.664 1.354 449 HA LEU 75 HA LEU 75 -9.103 -10.803 -0.663 450 1HB LEU 75 HB2 LEU 75 -11.809 -10.763 -0.532 451 2HB LEU 75 HB1 LEU 75 -11.466 -9.086 -0.106 452 HG LEU 75 HG LEU 75 -10.687 -10.567 -2.623 453 1HD1 LEU 75 HD13 LEU 75 -12.783 -8.808 -1.912 454 2HD1 LEU 75 HD12 LEU 75 -11.677 -7.871 -2.917 455 3HD1 LEU 75 HD11 LEU 75 -12.366 -9.375 -3.530 456 1HD2 LEU 75 HD21 LEU 75 -9.561 -8.013 -1.455 457 2HD2 LEU 75 HD23 LEU 75 -8.676 -9.422 -2.038 458 3HD2 LEU 75 HD22 LEU 75 -9.497 -8.360 -3.183 459 H ILE 76 HN ILE 76 -10.449 -9.163 2.226 460 HA ILE 76 HA ILE 76 -9.118 -6.694 1.854 461 HB ILE 76 HB ILE 76 -9.679 -8.096 4.486 462 1HG1 ILE 76 HG12 ILE 76 -11.426 -6.083 3.058 463 2HG1 ILE 76 HG11 ILE 76 -11.619 -7.819 2.817 464 1HG2 ILE 76 HG23 ILE 76 -9.293 -5.177 3.756 465 2HG2 ILE 76 HG22 ILE 76 -9.797 -5.760 5.342 466 3HG2 ILE 76 HG21 ILE 76 -8.196 -6.164 4.723 467 1HD1 ILE 76 HD13 ILE 76 -11.417 -7.128 5.644 468 2HD1 ILE 76 HD12 ILE 76 -12.771 -6.314 4.860 469 3HD1 ILE 76 HD11 ILE 76 -12.649 -8.073 4.809 470 H ILE 77 HN ILE 77 -7.979 -9.613 3.627 471 HA ILE 77 HA ILE 77 -5.453 -8.525 4.357 472 HB ILE 77 HB ILE 77 -6.655 -10.890 4.870 473 1HG1 ILE 77 HG12 ILE 77 -4.762 -9.829 6.086 474 2HG1 ILE 77 HG11 ILE 77 -4.548 -11.570 5.906 475 1HG2 ILE 77 HG23 ILE 77 -4.545 -11.509 2.779 476 2HG2 ILE 77 HG22 ILE 77 -5.309 -12.703 3.827 477 3HG2 ILE 77 HG21 ILE 77 -6.271 -11.828 2.639 478 1HD1 ILE 77 HD12 ILE 77 -3.278 -10.901 3.702 479 2HD1 ILE 77 HD11 ILE 77 -3.122 -9.334 4.497 480 3HD1 ILE 77 HD13 ILE 77 -2.452 -10.779 5.256 481 H PHE 78 HN PHE 78 -6.438 -10.349 1.464 482 HA PHE 78 HA PHE 78 -3.936 -10.361 0.136 483 1HB PHE 78 HB2 PHE 78 -6.693 -10.134 -1.111 484 2HB PHE 78 HB1 PHE 78 -5.227 -10.683 -1.926 485 HD1 PHE 78 HD2 PHE 78 -4.209 -12.115 0.718 486 HD2 PHE 78 HD1 PHE 78 -7.835 -12.282 -1.578 487 HE1 PHE 78 HE2 PHE 78 -4.617 -14.420 1.532 488 HE2 PHE 78 HE1 PHE 78 -8.243 -14.590 -0.763 489 HZ PHE 78 HZ PHE 78 -6.634 -15.658 0.792 490 H GLY 79 HN GLY 79 -6.575 -7.957 -0.007 491 1HA GLY 79 HA2 GLY 79 -5.366 -6.203 -1.871 492 2HA GLY 79 HA1 GLY 79 -6.501 -5.688 -0.623 493 H VAL 80 HN VAL 80 -5.081 -6.225 1.709 494 HA VAL 80 HA VAL 80 -3.358 -3.982 1.913 495 HB VAL 80 HB VAL 80 -3.302 -6.489 3.614 496 1HG1 VAL 80 HG11 VAL 80 -2.316 -3.655 3.988 497 2HG1 VAL 80 HG13 VAL 80 -2.605 -4.732 5.355 498 3HG1 VAL 80 HG12 VAL 80 -1.400 -5.154 4.138 499 1HG2 VAL 80 HG22 VAL 80 -5.439 -4.727 3.161 500 2HG2 VAL 80 HG21 VAL 80 -5.275 -5.842 4.516 501 3HG2 VAL 80 HG23 VAL 80 -4.725 -4.175 4.676 502 H MET 81 HN MET 81 -2.552 -7.441 1.509 503 HA MET 81 HA MET 81 0.272 -7.127 1.400 504 1HB MET 81 HB2 MET 81 -1.375 -9.109 -0.200 505 2HB MET 81 HB1 MET 81 0.312 -9.281 0.287 506 1HG MET 81 HG2 MET 81 -1.174 -8.742 2.647 507 2HG MET 81 HG1 MET 81 -2.054 -9.987 1.759 508 1HE MET 81 HE3 MET 81 1.294 -8.696 2.846 509 2HE MET 81 HE2 MET 81 2.356 -10.093 3.002 510 3HE MET 81 HE1 MET 81 1.913 -9.506 1.401 511 H ALA 82 HN ALA 82 -2.164 -7.081 -1.192 512 HA ALA 82 HA ALA 82 -0.406 -6.649 -3.361 513 1HB ALA 82 HB3 ALA 82 -3.288 -6.412 -2.888 514 2HB ALA 82 HB2 ALA 82 -2.691 -5.238 -4.065 515 3HB ALA 82 HB1 ALA 82 -2.423 -6.960 -4.321 516 H GLY 83 HN GLY 83 -2.039 -4.201 -1.280 517 1HA GLY 83 HA2 GLY 83 -1.075 -1.919 -2.651 518 2HA GLY 83 HA1 GLY 83 -1.460 -1.955 -0.929 519 H VAL 84 HN VAL 84 0.399 -3.738 0.052 520 HA VAL 84 HA VAL 84 2.735 -2.150 0.312 521 HB VAL 84 HB VAL 84 2.278 -5.112 0.745 522 1HG1 VAL 84 HG11 VAL 84 4.759 -3.612 0.644 523 2HG1 VAL 84 HG13 VAL 84 4.483 -4.256 2.263 524 3HG1 VAL 84 HG12 VAL 84 4.516 -5.343 0.874 525 1HG2 VAL 84 HG21 VAL 84 1.915 -2.633 2.295 526 2HG2 VAL 84 HG23 VAL 84 1.179 -4.219 2.524 527 3HG2 VAL 84 HG22 VAL 84 2.791 -3.894 3.163 528 H ILE 85 HN ILE 85 2.168 -5.020 -1.756 529 HA ILE 85 HA ILE 85 4.740 -5.140 -2.925 530 HB ILE 85 HB ILE 85 2.073 -5.791 -4.212 531 1HG1 ILE 85 HG12 ILE 85 2.586 -6.919 -2.004 532 2HG1 ILE 85 HG11 ILE 85 2.418 -8.030 -3.365 533 1HG2 ILE 85 HG21 ILE 85 4.908 -6.664 -4.850 534 2HG2 ILE 85 HG23 ILE 85 3.457 -7.336 -5.594 535 3HG2 ILE 85 HG22 ILE 85 3.880 -5.643 -5.857 536 1HD1 ILE 85 HD13 ILE 85 5.154 -7.071 -3.107 537 2HD1 ILE 85 HD12 ILE 85 4.603 -7.864 -1.630 538 3HD1 ILE 85 HD11 ILE 85 4.552 -8.728 -3.166 539 H GLY 86 HN GLY 86 1.853 -3.330 -4.066 540 1HA GLY 86 HA2 GLY 86 3.033 -2.256 -6.405 541 2HA GLY 86 HA1 GLY 86 1.740 -1.470 -5.498 542 H THR 87 HN THR 87 2.961 -0.920 -3.088 543 HA THR 87 HA THR 87 4.438 1.443 -3.631 544 HB THR 87 HB THR 87 4.556 -0.234 -1.107 545 HG1 THR 87 HG1 THR 87 2.424 0.301 -1.749 546 1HG2 THR 87 HG22 THR 87 5.434 2.506 -1.884 547 2HG2 THR 87 HG21 THR 87 4.718 2.317 -0.284 548 3HG2 THR 87 HG23 THR 87 6.148 1.385 -0.726 549 H ILE 88 HN ILE 88 5.558 -1.796 -2.671 550 HA ILE 88 HA ILE 88 8.332 -1.252 -2.586 551 HB ILE 88 HB ILE 88 6.827 -3.767 -3.346 552 1HG1 ILE 88 HG12 ILE 88 8.160 -2.739 -0.826 553 2HG1 ILE 88 HG11 ILE 88 6.458 -3.145 -1.053 554 1HG2 ILE 88 HG23 ILE 88 9.142 -3.707 -4.311 555 2HG2 ILE 88 HG22 ILE 88 9.771 -3.474 -2.680 556 3HG2 ILE 88 HG21 ILE 88 8.926 -4.965 -3.094 557 1HD1 ILE 88 HD12 ILE 88 8.746 -5.127 -1.237 558 2HD1 ILE 88 HD11 ILE 88 7.697 -4.928 0.167 559 3HD1 ILE 88 HD13 ILE 88 7.028 -5.503 -1.360 560 H LEU 89 HN LEU 89 6.331 -2.326 -5.358 561 HA LEU 89 HA LEU 89 8.444 -2.484 -7.232 562 1HB LEU 89 HB2 LEU 89 6.792 -2.959 -8.708 563 2HB LEU 89 HB1 LEU 89 5.712 -2.871 -7.324 564 HG LEU 89 HG LEU 89 5.487 -0.370 -7.839 565 1HD1 LEU 89 HD13 LEU 89 7.270 -1.275 -10.015 566 2HD1 LEU 89 HD12 LEU 89 5.908 -0.286 -10.543 567 3HD1 LEU 89 HD11 LEU 89 7.043 0.342 -9.347 568 1HD2 LEU 89 HD22 LEU 89 4.403 -2.684 -9.331 569 2HD2 LEU 89 HD21 LEU 89 3.552 -1.399 -8.475 570 3HD2 LEU 89 HD23 LEU 89 4.167 -1.116 -10.103 571 H LEU 90 HN LEU 90 6.389 0.316 -6.375 572 HA LEU 90 HA LEU 90 7.572 2.171 -8.189 573 1HB LEU 90 HB2 LEU 90 5.891 2.323 -5.806 574 2HB LEU 90 HB1 LEU 90 7.060 3.642 -5.857 575 HG LEU 90 HG LEU 90 5.054 4.333 -7.044 576 1HD1 LEU 90 HD11 LEU 90 7.655 4.071 -8.276 577 2HD1 LEU 90 HD13 LEU 90 6.395 4.002 -9.508 578 3HD1 LEU 90 HD12 LEU 90 6.490 5.388 -8.420 579 1HD2 LEU 90 HD21 LEU 90 4.953 1.613 -7.786 580 2HD2 LEU 90 HD23 LEU 90 3.820 2.881 -8.252 581 3HD2 LEU 90 HD22 LEU 90 5.197 2.505 -9.288 582 H ILE 91 HN ILE 91 8.483 1.342 -4.840 583 HA ILE 91 HA ILE 91 10.713 3.083 -4.608 584 HB ILE 91 HB ILE 91 10.270 0.327 -3.418 585 1HG1 ILE 91 HG12 ILE 91 9.982 3.032 -2.096 586 2HG1 ILE 91 HG11 ILE 91 8.634 2.246 -2.918 587 1HG2 ILE 91 HG21 ILE 91 12.681 1.183 -3.495 588 2HG2 ILE 91 HG23 ILE 91 12.149 2.479 -2.423 589 3HG2 ILE 91 HG22 ILE 91 12.047 0.800 -1.895 590 1HD1 ILE 91 HD11 ILE 91 9.147 0.195 -1.464 591 2HD1 ILE 91 HD13 ILE 91 10.171 1.265 -0.507 592 3HD1 ILE 91 HD12 ILE 91 8.441 1.584 -0.639 593 H SER 92 HN SER 92 10.577 -0.284 -5.805 594 HA SER 92 HA SER 92 13.344 -0.580 -6.313 595 1HB SER 92 HB2 SER 92 10.860 -1.870 -7.229 596 2HB SER 92 HB1 SER 92 12.184 -1.965 -8.386 597 HG SER 92 HG SER 92 13.379 -2.508 -6.242 598 H TYR 93 HN TYR 93 10.777 0.669 -8.491 599 HA TYR 93 HA TYR 93 12.469 1.199 -10.709 600 1HB TYR 93 HB2 TYR 93 9.795 1.944 -9.852 601 2HB TYR 93 HB1 TYR 93 10.604 3.300 -10.640 602 HD1 TYR 93 HD1 TYR 93 12.068 2.525 -12.791 603 HD2 TYR 93 HD2 TYR 93 8.613 0.499 -11.238 604 HE1 TYR 93 HE1 TYR 93 11.696 1.465 -15.002 605 HE2 TYR 93 HE2 TYR 93 8.241 -0.561 -13.450 606 HH TYR 93 HH TYR 93 8.805 -0.417 -15.673 607 H GLY 94 HN GLY 94 11.589 3.309 -7.956 608 1HA GLY 94 HA2 GLY 94 13.138 5.563 -8.713 609 2HA GLY 94 HA1 GLY 94 12.726 5.148 -7.047 610 H ILE 95 HN ILE 95 13.977 2.738 -6.730 611 HA ILE 95 HA ILE 95 16.656 3.460 -6.137 612 HB ILE 95 HB ILE 95 15.141 0.884 -6.261 613 1HG1 ILE 95 HG12 ILE 95 15.210 2.286 -4.218 614 2HG1 ILE 95 HG11 ILE 95 15.986 0.726 -3.947 615 1HG2 ILE 95 HG21 ILE 95 18.092 1.118 -6.609 616 2HG2 ILE 95 HG23 ILE 95 17.513 -0.095 -5.466 617 3HG2 ILE 95 HG22 ILE 95 16.992 -0.151 -7.151 618 1HD1 ILE 95 HD12 ILE 95 17.893 2.649 -4.981 619 2HD1 ILE 95 HD11 ILE 95 17.118 3.261 -3.520 620 3HD1 ILE 95 HD13 ILE 95 17.957 1.710 -3.488 621 H ARG 96 HN ARG 96 15.384 1.613 -8.938 622 HA ARG 96 HA ARG 96 17.874 1.118 -10.192 623 1HB ARG 96 HB2 ARG 96 15.404 1.831 -11.767 624 2HB ARG 96 HB1 ARG 96 16.649 0.645 -12.154 625 1HG ARG 96 HG2 ARG 96 15.731 -0.274 -9.733 626 2HG ARG 96 HG1 ARG 96 14.258 0.368 -10.460 627 1HD ARG 96 HD2 ARG 96 15.712 -1.042 -12.481 628 2HD ARG 96 HD1 ARG 96 15.583 -2.084 -11.063 629 HE ARG 96 HE ARG 96 13.022 -1.083 -11.370 630 1HH1 ARG 96 HH21 ARG 96 13.228 -0.811 -14.218 631 2HH1 ARG 96 HH22 ARG 96 12.954 -2.409 -14.829 632 1HH2 ARG 96 HH11 ARG 96 13.565 -3.963 -11.790 633 2HH2 ARG 96 HH12 ARG 96 13.144 -4.193 -13.455 634 H ARG 97 HN ARG 97 15.683 3.925 -10.575 635 HA ARG 97 HA ARG 97 17.288 5.308 -12.458 636 1HB ARG 97 HB2 ARG 97 15.079 6.134 -12.040 637 2HB ARG 97 HB1 ARG 97 15.403 6.317 -10.316 638 1HG ARG 97 HG2 ARG 97 16.599 8.263 -10.604 639 2HG ARG 97 HG1 ARG 97 17.190 7.786 -12.196 640 1HD ARG 97 HD2 ARG 97 15.641 9.228 -13.007 641 2HD ARG 97 HD1 ARG 97 14.467 7.973 -12.607 642 HE ARG 97 HE ARG 97 14.745 9.377 -10.240 643 1HH1 ARG 97 HH11 ARG 97 15.416 11.712 -12.039 644 2HH1 ARG 97 HH12 ARG 97 13.851 12.406 -12.306 645 1HH2 ARG 97 HH21 ARG 97 12.127 9.602 -11.218 646 2HH2 ARG 97 HH22 ARG 97 11.990 11.212 -11.842 647 H LEU 98 HN LEU 98 17.319 5.469 -8.899 648 HA LEU 98 HA LEU 98 19.363 7.403 -8.619 649 1HB LEU 98 HB2 LEU 98 17.951 5.589 -6.925 650 2HB LEU 98 HB1 LEU 98 19.673 5.439 -6.568 651 HG LEU 98 HG LEU 98 18.292 8.120 -6.794 652 1HD1 LEU 98 HD11 LEU 98 18.744 6.377 -4.354 653 2HD1 LEU 98 HD13 LEU 98 18.325 8.088 -4.278 654 3HD1 LEU 98 HD12 LEU 98 17.194 6.935 -4.986 655 1HD2 LEU 98 HD23 LEU 98 20.761 8.056 -7.027 656 2HD2 LEU 98 HD22 LEU 98 20.277 8.871 -5.540 657 3HD2 LEU 98 HD21 LEU 98 20.877 7.214 -5.482 658 H ILE 99 HN ILE 99 19.658 3.847 -8.818 659 HA ILE 99 HA ILE 99 22.581 3.999 -8.789 660 HB ILE 99 HB ILE 99 22.337 1.510 -9.373 661 1HG1 ILE 99 HG12 ILE 99 19.593 1.420 -8.440 662 2HG1 ILE 99 HG11 ILE 99 19.711 2.359 -9.926 663 1HG2 ILE 99 HG22 ILE 99 22.649 2.439 -7.066 664 2HG2 ILE 99 HG21 ILE 99 20.895 2.504 -6.898 665 3HG2 ILE 99 HG23 ILE 99 21.704 0.950 -7.092 666 1HD1 ILE 99 HD13 ILE 99 21.364 -0.018 -10.088 667 2HD1 ILE 99 HD12 ILE 99 19.695 -0.442 -9.709 668 3HD1 ILE 99 HD11 ILE 99 20.058 0.502 -11.153 669 H LYS 100 HN LYS 100 20.151 4.321 -11.170 670 HA LYS 100 HA LYS 100 22.240 4.308 -13.269 671 1HB LYS 100 HB2 LYS 100 20.883 2.029 -13.020 672 2HB LYS 100 HB1 LYS 100 19.674 2.926 -13.938 673 1HG LYS 100 HG2 LYS 100 20.874 2.764 -15.841 674 2HG LYS 100 HG1 LYS 100 22.348 3.299 -15.033 675 1HD LYS 100 HD2 LYS 100 23.096 1.181 -15.266 676 2HD LYS 100 HD1 LYS 100 21.928 0.738 -14.020 677 1HE LYS 100 HE2 LYS 100 20.211 0.404 -15.798 678 2HE LYS 100 HE1 LYS 100 21.443 0.744 -17.013 679 1HZ LYS 100 HZ1 LYS 100 21.545 -1.449 -15.014 680 2HZ LYS 100 HZ3 LYS 100 21.180 -1.629 -16.661 681 3HZ LYS 100 HZ2 LYS 100 22.731 -1.120 -16.186 682 H LYS 101 HN LYS 101 21.934 6.025 -14.615 683 HA LYS 101 HA LYS 101 20.800 7.728 -15.798 684 1HB LYS 101 HB2 LYS 101 18.896 5.811 -15.665 685 2HB LYS 101 HB1 LYS 101 18.142 7.045 -14.654 686 1HG LYS 101 HG2 LYS 101 17.410 7.531 -16.865 687 2HG LYS 101 HG1 LYS 101 18.691 8.698 -16.540 688 1HD LYS 101 HD2 LYS 101 20.010 7.849 -18.168 689 2HD LYS 101 HD1 LYS 101 19.726 6.192 -17.633 690 1HE LYS 101 HE2 LYS 101 18.568 5.998 -19.581 691 2HE LYS 101 HE1 LYS 101 17.287 6.829 -18.698 692 1HZ LYS 101 HZ2 LYS 101 19.377 8.410 -20.026 693 2HZ LYS 101 HZ1 LYS 101 18.119 7.751 -20.962 694 3HZ LYS 101 HZ3 LYS 101 17.762 8.820 -19.694 No H/Q in entry = 694 Start of MODEL 18 1 1H VAL 62 HT1 VAL 62 0.688 0.742 21.258 2 2H VAL 62 HT3 VAL 62 1.224 2.242 21.843 3 3H VAL 62 HT2 VAL 62 -0.440 1.912 21.756 4 HA VAL 62 HA VAL 62 -0.004 3.296 19.932 5 HB VAL 62 HB VAL 62 2.319 1.430 19.358 6 1HG1 VAL 62 HG11 VAL 62 0.816 3.241 17.686 7 2HG1 VAL 62 HG13 VAL 62 2.469 3.830 17.869 8 3HG1 VAL 62 HG12 VAL 62 2.175 2.205 17.250 9 1HG2 VAL 62 HG23 VAL 62 2.052 3.784 21.006 10 2HG2 VAL 62 HG22 VAL 62 3.484 2.791 20.727 11 3HG2 VAL 62 HG21 VAL 62 3.117 4.136 19.645 12 H GLN 63 HN GLN 63 -1.968 1.529 20.211 13 HA GLN 63 HA GLN 63 -2.058 -0.756 18.559 14 1HB GLN 63 HB2 GLN 63 -4.543 -0.300 18.446 15 2HB GLN 63 HB1 GLN 63 -3.880 -0.299 20.080 16 1HG GLN 63 HG2 GLN 63 -4.555 1.822 20.388 17 2HG GLN 63 HG1 GLN 63 -3.639 2.342 18.973 18 1HE2 GLN 63 HE22 GLN 63 -6.471 2.380 16.816 19 2HE2 GLN 63 HE21 GLN 63 -4.775 2.410 16.889 20 H LEU 64 HN LEU 64 -1.955 -0.984 16.377 21 HA LEU 64 HA LEU 64 -2.441 1.453 14.708 22 1HB LEU 64 HB2 LEU 64 -0.393 -0.714 14.585 23 2HB LEU 64 HB1 LEU 64 -0.993 -0.083 13.052 24 HG LEU 64 HG LEU 64 -0.393 2.019 15.011 25 1HD1 LEU 64 HD12 LEU 64 1.659 -0.029 14.257 26 2HD1 LEU 64 HD11 LEU 64 2.153 1.662 14.338 27 3HD1 LEU 64 HD13 LEU 64 1.478 0.871 15.763 28 1HD2 LEU 64 HD21 LEU 64 -0.619 1.697 12.238 29 2HD2 LEU 64 HD23 LEU 64 -0.100 3.158 13.081 30 3HD2 LEU 64 HD22 LEU 64 1.097 1.997 12.508 31 H ALA 65 HN ALA 65 -2.533 -2.127 14.493 32 HA ALA 65 HA ALA 65 -4.703 -1.885 12.482 33 1HB ALA 65 HB1 ALA 65 -2.691 -3.450 12.203 34 2HB ALA 65 HB3 ALA 65 -3.419 -4.438 13.470 35 3HB ALA 65 HB2 ALA 65 -4.282 -4.171 11.955 36 H HIS 66 HN HIS 66 -6.383 -1.209 13.977 37 HA HIS 66 HA HIS 66 -7.225 -3.357 15.881 38 1HB HIS 66 HB2 HIS 66 -6.652 -0.910 16.670 39 2HB HIS 66 HB1 HIS 66 -8.257 -0.542 16.037 40 HD1 HIS 66 HD1 HIS 66 -9.238 -0.178 18.422 41 HD2 HIS 66 HD2 HIS 66 -7.695 -4.000 17.801 42 HE1 HIS 66 HE1 HIS 66 -10.047 -1.599 20.356 43 H HIS 67 HN HIS 67 -8.919 -0.629 14.296 44 HA HIS 67 HA HIS 67 -10.415 -2.046 12.412 45 1HB HIS 67 HB2 HIS 67 -11.262 -2.588 15.166 46 2HB HIS 67 HB1 HIS 67 -12.573 -1.993 14.148 47 HD1 HIS 67 HD1 HIS 67 -12.335 -3.249 11.552 48 HD2 HIS 67 HD2 HIS 67 -11.154 -5.331 14.965 49 HE1 HIS 67 HE1 HIS 67 -12.346 -5.704 10.933 50 H PHE 68 HN PHE 68 -11.495 -0.518 11.245 51 HA PHE 68 HA PHE 68 -12.883 1.709 12.495 52 1HB PHE 68 HB2 PHE 68 -11.252 3.248 10.923 53 2HB PHE 68 HB1 PHE 68 -11.050 3.052 12.661 54 HD1 PHE 68 HD1 PHE 68 -10.043 1.577 9.376 55 HD2 PHE 68 HD2 PHE 68 -9.097 2.064 13.537 56 HE1 PHE 68 HE1 PHE 68 -7.835 0.513 8.998 57 HE2 PHE 68 HE2 PHE 68 -6.889 1.001 13.161 58 HZ PHE 68 HZ PHE 68 -6.257 0.226 10.891 59 H SER 69 HN SER 69 -13.562 -0.375 10.659 60 HA SER 69 HA SER 69 -14.507 1.300 8.401 61 1HB SER 69 HB2 SER 69 -13.302 -1.427 7.895 62 2HB SER 69 HB1 SER 69 -13.754 -0.204 6.711 63 HG SER 69 HG SER 69 -11.430 -0.536 7.969 64 H GLU 70 HN GLU 70 -15.510 -1.123 7.018 65 HA GLU 70 HA GLU 70 -17.029 -2.828 8.656 66 1HB GLU 70 HB2 GLU 70 -18.093 -0.093 8.494 67 2HB GLU 70 HB1 GLU 70 -19.267 -1.337 8.060 68 1HG GLU 70 HG2 GLU 70 -17.632 -1.965 10.437 69 2HG GLU 70 HG1 GLU 70 -18.714 -0.585 10.631 70 HA PRO 71 HA PRO 71 -19.238 -2.484 4.346 71 1HB PRO 71 HB2 PRO 71 -17.679 -0.649 2.756 72 2HB PRO 71 HB1 PRO 71 -19.387 -0.532 3.199 73 1HG PRO 71 HG2 PRO 71 -17.206 1.041 4.225 74 2HG PRO 71 HG1 PRO 71 -18.909 1.126 4.686 75 1HD PRO 71 HD2 PRO 71 -16.719 0.071 6.228 76 2HD PRO 71 HD1 PRO 71 -18.434 0.153 6.679 77 H GLU 72 HN GLU 72 -18.572 -3.782 2.525 78 HA GLU 72 HA GLU 72 -16.114 -5.217 2.879 79 1HB GLU 72 HB2 GLU 72 -18.120 -5.094 0.622 80 2HB GLU 72 HB1 GLU 72 -16.686 -6.118 0.544 81 1HG GLU 72 HG2 GLU 72 -17.457 -6.989 2.872 82 2HG GLU 72 HG1 GLU 72 -19.020 -6.292 2.440 83 H ILE 73 HN ILE 73 -16.795 -3.951 -0.325 84 HA ILE 73 HA ILE 73 -14.254 -3.496 -1.200 85 HB ILE 73 HB ILE 73 -16.515 -3.037 -2.377 86 1HG1 ILE 73 HG12 ILE 73 -15.009 -0.908 -3.448 87 2HG1 ILE 73 HG11 ILE 73 -13.841 -2.055 -2.794 88 1HG2 ILE 73 HG23 ILE 73 -17.094 -1.220 -0.662 89 2HG2 ILE 73 HG22 ILE 73 -15.919 -0.206 -1.498 90 3HG2 ILE 73 HG21 ILE 73 -17.339 -0.802 -2.358 91 1HD1 ILE 73 HD13 ILE 73 -15.866 -3.572 -4.087 92 2HD1 ILE 73 HD12 ILE 73 -15.397 -2.280 -5.193 93 3HD1 ILE 73 HD11 ILE 73 -14.179 -3.392 -4.569 94 H THR 74 HN THR 74 -16.087 -1.326 0.917 95 HA THR 74 HA THR 74 -14.225 0.832 0.949 96 HB THR 74 HB THR 74 -15.966 -0.079 3.255 97 HG1 THR 74 HG1 THR 74 -16.680 1.806 1.292 98 1HG2 THR 74 HG22 THR 74 -14.106 1.929 3.159 99 2HG2 THR 74 HG21 THR 74 -15.567 2.780 2.660 100 3HG2 THR 74 HG23 THR 74 -15.524 1.935 4.207 101 H LEU 75 HN LEU 75 -14.498 -2.028 3.069 102 HA LEU 75 HA LEU 75 -12.116 -1.270 4.551 103 1HB LEU 75 HB2 LEU 75 -13.081 -2.670 6.021 104 2HB LEU 75 HB1 LEU 75 -14.178 -3.288 4.799 105 HG LEU 75 HG LEU 75 -11.320 -4.260 4.965 106 1HD1 LEU 75 HD11 LEU 75 -12.834 -4.490 7.132 107 2HD1 LEU 75 HD13 LEU 75 -13.595 -5.778 6.196 108 3HD1 LEU 75 HD12 LEU 75 -11.871 -5.857 6.564 109 1HD2 LEU 75 HD23 LEU 75 -13.624 -4.785 3.313 110 2HD2 LEU 75 HD22 LEU 75 -12.008 -5.477 3.188 111 3HD2 LEU 75 HD21 LEU 75 -13.219 -6.242 4.213 112 H ILE 76 HN ILE 76 -12.740 -3.758 2.018 113 HA ILE 76 HA ILE 76 -10.091 -4.777 1.997 114 HB ILE 76 HB ILE 76 -11.871 -4.431 -0.434 115 1HG1 ILE 76 HG12 ILE 76 -11.795 -6.660 1.628 116 2HG1 ILE 76 HG11 ILE 76 -13.098 -5.484 1.443 117 1HG2 ILE 76 HG23 ILE 76 -9.421 -5.165 -0.665 118 2HG2 ILE 76 HG22 ILE 76 -9.895 -6.628 0.198 119 3HG2 ILE 76 HG21 ILE 76 -10.633 -6.244 -1.356 120 1HD1 ILE 76 HD13 ILE 76 -12.785 -6.467 -1.126 121 2HD1 ILE 76 HD12 ILE 76 -12.533 -7.895 -0.121 122 3HD1 ILE 76 HD11 ILE 76 -14.028 -6.971 0.018 123 H ILE 77 HN ILE 77 -11.496 -2.096 0.083 124 HA ILE 77 HA ILE 77 -9.083 -1.369 -1.248 125 HB ILE 77 HB ILE 77 -11.449 -0.485 -1.706 126 1HG1 ILE 77 HG12 ILE 77 -10.135 2.001 -1.797 127 2HG1 ILE 77 HG11 ILE 77 -8.856 0.792 -1.924 128 1HG2 ILE 77 HG22 ILE 77 -10.652 1.378 0.550 129 2HG2 ILE 77 HG21 ILE 77 -12.043 1.596 -0.511 130 3HG2 ILE 77 HG23 ILE 77 -11.977 0.215 0.579 131 1HD1 ILE 77 HD11 ILE 77 -11.352 0.448 -3.552 132 2HD1 ILE 77 HD13 ILE 77 -10.126 1.594 -4.092 133 3HD1 ILE 77 HD12 ILE 77 -9.713 -0.108 -3.892 134 H PHE 78 HN PHE 78 -10.489 -0.290 1.820 135 HA PHE 78 HA PHE 78 -8.492 1.568 2.574 136 1HB PHE 78 HB2 PHE 78 -10.630 0.086 3.923 137 2HB PHE 78 HB1 PHE 78 -9.236 0.362 4.964 138 HD1 PHE 78 HD1 PHE 78 -10.608 2.445 2.173 139 HD2 PHE 78 HD2 PHE 78 -9.826 2.131 6.385 140 HE1 PHE 78 HE1 PHE 78 -11.297 4.809 2.478 141 HE2 PHE 78 HE2 PHE 78 -10.515 4.494 6.689 142 HZ PHE 78 HZ PHE 78 -11.251 5.833 4.737 143 H GLY 79 HN GLY 79 -8.647 -1.954 3.250 144 1HA GLY 79 HA2 GLY 79 -6.266 -2.108 4.772 145 2HA GLY 79 HA1 GLY 79 -6.903 -3.435 3.797 146 H VAL 80 HN VAL 80 -6.701 -2.413 1.220 147 HA VAL 80 HA VAL 80 -3.954 -2.819 0.594 148 HB VAL 80 HB VAL 80 -5.977 -1.255 -1.039 149 1HG1 VAL 80 HG11 VAL 80 -3.250 -2.316 -1.497 150 2HG1 VAL 80 HG13 VAL 80 -4.412 -2.647 -2.782 151 3HG1 VAL 80 HG12 VAL 80 -4.089 -0.984 -2.293 152 1HG2 VAL 80 HG23 VAL 80 -6.248 -3.861 -0.134 153 2HG2 VAL 80 HG22 VAL 80 -7.012 -3.207 -1.582 154 3HG2 VAL 80 HG21 VAL 80 -5.485 -4.079 -1.709 155 H MET 81 HN MET 81 -5.833 0.196 0.880 156 HA MET 81 HA MET 81 -3.726 2.023 0.351 157 1HB MET 81 HB2 MET 81 -6.039 2.381 2.285 158 2HB MET 81 HB1 MET 81 -5.091 3.671 1.544 159 1HG MET 81 HG2 MET 81 -6.154 1.805 -0.438 160 2HG MET 81 HG1 MET 81 -7.429 2.571 0.510 161 1HE MET 81 HE3 MET 81 -8.185 4.565 0.507 162 2HE MET 81 HE2 MET 81 -6.878 5.629 1.022 163 3HE MET 81 HE1 MET 81 -7.749 5.974 -0.470 164 H ALA 82 HN ALA 82 -4.833 0.624 3.431 165 HA ALA 82 HA ALA 82 -3.012 1.949 5.130 166 1HB ALA 82 HB2 ALA 82 -4.740 -0.422 5.314 167 2HB ALA 82 HB1 ALA 82 -3.291 -0.533 6.317 168 3HB ALA 82 HB3 ALA 82 -4.402 0.822 6.513 169 H GLY 83 HN GLY 83 -2.585 -1.182 3.394 170 1HA GLY 83 HA2 GLY 83 -0.015 -1.764 4.435 171 2HA GLY 83 HA1 GLY 83 -0.583 -2.278 2.843 172 H VAL 84 HN VAL 84 -0.935 0.131 1.534 173 HA VAL 84 HA VAL 84 1.702 0.818 0.727 174 HB VAL 84 HB VAL 84 -0.803 2.522 0.545 175 1HG1 VAL 84 HG12 VAL 84 1.965 2.783 -0.464 176 2HG1 VAL 84 HG11 VAL 84 0.704 3.055 -1.666 177 3HG1 VAL 84 HG13 VAL 84 0.743 4.026 -0.194 178 1HG2 VAL 84 HG21 VAL 84 0.013 0.045 -0.752 179 2HG2 VAL 84 HG23 VAL 84 -1.534 0.887 -0.834 180 3HG2 VAL 84 HG22 VAL 84 -0.226 1.338 -1.927 181 H ILE 85 HN ILE 85 -0.520 2.522 2.951 182 HA ILE 85 HA ILE 85 1.177 4.691 3.599 183 HB ILE 85 HB ILE 85 -0.867 3.244 5.308 184 1HG1 ILE 85 HG12 ILE 85 -1.321 5.957 4.181 185 2HG1 ILE 85 HG11 ILE 85 -1.296 4.631 3.016 186 1HG2 ILE 85 HG23 ILE 85 0.847 4.605 6.588 187 2HG2 ILE 85 HG22 ILE 85 0.276 6.021 5.706 188 3HG2 ILE 85 HG21 ILE 85 -0.820 5.150 6.778 189 1HD1 ILE 85 HD11 ILE 85 -2.813 3.910 5.388 190 2HD1 ILE 85 HD13 ILE 85 -3.453 5.376 4.644 191 3HD1 ILE 85 HD12 ILE 85 -3.315 3.894 3.697 192 H GLY 86 HN GLY 86 0.895 1.497 5.191 193 1HA GLY 86 HA2 GLY 86 2.786 1.940 7.241 194 2HA GLY 86 HA1 GLY 86 2.429 0.357 6.547 195 H THR 87 HN THR 87 3.312 0.654 3.939 196 HA THR 87 HA THR 87 6.108 0.243 4.169 197 HB THR 87 HB THR 87 4.453 1.086 1.771 198 HG1 THR 87 HG1 THR 87 4.026 -0.966 2.772 199 1HG2 THR 87 HG23 THR 87 7.359 0.512 2.112 200 2HG2 THR 87 HG22 THR 87 6.566 -0.137 0.676 201 3HG2 THR 87 HG21 THR 87 6.553 1.600 0.982 202 H ILE 88 HN ILE 88 4.316 3.153 3.129 203 HA ILE 88 HA ILE 88 6.558 4.810 2.623 204 HB ILE 88 HB ILE 88 3.855 5.595 3.759 205 1HG1 ILE 88 HG12 ILE 88 4.879 5.395 0.908 206 2HG1 ILE 88 HG11 ILE 88 3.667 4.350 1.651 207 1HG2 ILE 88 HG23 ILE 88 5.952 7.217 3.758 208 2HG2 ILE 88 HG22 ILE 88 5.567 7.355 2.042 209 3HG2 ILE 88 HG21 ILE 88 4.367 7.803 3.253 210 1HD1 ILE 88 HD12 ILE 88 2.474 6.669 2.159 211 2HD1 ILE 88 HD11 ILE 88 3.433 7.202 0.778 212 3HD1 ILE 88 HD13 ILE 88 2.283 5.878 0.595 213 H LEU 89 HN LEU 89 4.734 4.325 5.657 214 HA LEU 89 HA LEU 89 6.216 6.127 7.256 215 1HB LEU 89 HB2 LEU 89 4.616 5.427 8.682 216 2HB LEU 89 HB1 LEU 89 4.254 4.049 7.651 217 HG LEU 89 HG LEU 89 6.201 2.845 8.718 218 1HD1 LEU 89 HD12 LEU 89 6.294 5.448 10.170 219 2HD1 LEU 89 HD11 LEU 89 6.609 3.990 11.111 220 3HD1 LEU 89 HD13 LEU 89 7.612 4.369 9.713 221 1HD2 LEU 89 HD23 LEU 89 3.948 3.807 10.508 222 2HD2 LEU 89 HD22 LEU 89 3.923 2.388 9.461 223 3HD2 LEU 89 HD21 LEU 89 4.987 2.427 10.868 224 H LEU 90 HN LEU 90 6.797 2.651 6.635 225 HA LEU 90 HA LEU 90 9.092 2.370 8.281 226 1HB LEU 90 HB2 LEU 90 8.464 1.038 5.626 227 2HB LEU 90 HB1 LEU 90 9.712 0.502 6.751 228 HG LEU 90 HG LEU 90 6.985 0.894 7.877 229 1HD1 LEU 90 HD13 LEU 90 7.702 -1.180 5.820 230 2HD1 LEU 90 HD12 LEU 90 6.576 -1.583 7.115 231 3HD1 LEU 90 HD11 LEU 90 6.204 -0.267 6.001 232 1HD2 LEU 90 HD22 LEU 90 8.971 0.121 9.192 233 2HD2 LEU 90 HD21 LEU 90 7.649 -1.047 9.199 234 3HD2 LEU 90 HD23 LEU 90 9.052 -1.309 8.164 235 H ILE 91 HN ILE 91 8.876 3.338 4.844 236 HA ILE 91 HA ILE 91 11.660 3.670 4.396 237 HB ILE 91 HB ILE 91 9.421 5.358 3.234 238 1HG1 ILE 91 HG12 ILE 91 10.591 2.753 2.205 239 2HG1 ILE 91 HG11 ILE 91 9.042 2.883 3.040 240 1HG2 ILE 91 HG23 ILE 91 12.283 5.262 2.846 241 2HG2 ILE 91 HG22 ILE 91 11.459 4.786 1.361 242 3HG2 ILE 91 HG21 ILE 91 11.103 6.344 2.107 243 1HD1 ILE 91 HD11 ILE 91 8.233 4.439 1.306 244 2HD1 ILE 91 HD13 ILE 91 9.778 4.308 0.467 245 3HD1 ILE 91 HD12 ILE 91 8.723 2.901 0.594 246 H SER 92 HN SER 92 9.257 6.048 5.587 247 HA SER 92 HA SER 92 11.064 8.218 5.845 248 1HB SER 92 HB2 SER 92 8.437 7.491 6.959 249 2HB SER 92 HB1 SER 92 9.391 8.531 8.012 250 HG SER 92 HG SER 92 9.219 9.095 5.265 251 H TYR 93 HN TYR 93 10.206 5.663 8.197 252 HA TYR 93 HA TYR 93 11.918 6.526 10.289 253 1HB TYR 93 HB2 TYR 93 10.208 4.679 10.445 254 2HB TYR 93 HB1 TYR 93 11.330 3.643 9.562 255 HD1 TYR 93 HD1 TYR 93 12.034 6.243 12.156 256 HD2 TYR 93 HD2 TYR 93 12.094 2.069 11.142 257 HE1 TYR 93 HE1 TYR 93 13.244 5.748 14.264 258 HE2 TYR 93 HE2 TYR 93 13.302 1.574 13.250 259 HH TYR 93 HH TYR 93 13.779 2.467 15.346 260 H GLY 94 HN GLY 94 12.592 4.277 7.578 261 1HA GLY 94 HA2 GLY 94 15.279 3.695 8.259 262 2HA GLY 94 HA1 GLY 94 14.645 3.674 6.611 263 H ILE 95 HN ILE 95 13.956 6.311 6.211 264 HA ILE 95 HA ILE 95 16.438 7.539 5.567 265 HB ILE 95 HB ILE 95 13.631 8.610 5.869 266 1HG1 ILE 95 HG12 ILE 95 14.597 9.132 3.332 267 2HG1 ILE 95 HG11 ILE 95 15.385 7.606 3.735 268 1HG2 ILE 95 HG21 ILE 95 16.185 10.141 5.359 269 2HG2 ILE 95 HG23 ILE 95 14.631 10.716 4.757 270 3HG2 ILE 95 HG22 ILE 95 14.888 10.523 6.491 271 1HD1 ILE 95 HD13 ILE 95 12.502 7.808 4.421 272 2HD1 ILE 95 HD12 ILE 95 12.889 7.741 2.702 273 3HD1 ILE 95 HD11 ILE 95 13.414 6.444 3.774 274 H ARG 96 HN ARG 96 14.254 8.111 8.330 275 HA ARG 96 HA ARG 96 15.760 10.146 9.599 276 1HB ARG 96 HB2 ARG 96 13.549 9.612 10.415 277 2HB ARG 96 HB1 ARG 96 14.028 7.955 10.778 278 1HG ARG 96 HG2 ARG 96 14.901 8.547 12.772 279 2HG ARG 96 HG1 ARG 96 15.784 9.899 12.060 280 1HD ARG 96 HD2 ARG 96 14.078 10.627 13.740 281 2HD ARG 96 HD1 ARG 96 13.798 11.301 12.136 282 HE ARG 96 HE ARG 96 12.288 8.969 12.167 283 1HH1 ARG 96 HH11 ARG 96 12.148 9.597 15.150 284 2HH1 ARG 96 HH12 ARG 96 10.693 10.534 15.224 285 1HH2 ARG 96 HH21 ARG 96 10.588 11.128 11.809 286 2HH2 ARG 96 HH22 ARG 96 9.810 11.403 13.332 287 H ARG 97 HN ARG 97 15.957 6.603 9.989 288 HA ARG 97 HA ARG 97 18.014 6.565 11.930 289 1HB ARG 97 HB2 ARG 97 16.820 4.525 11.354 290 2HB ARG 97 HB1 ARG 97 17.426 4.597 9.699 291 1HG ARG 97 HG2 ARG 97 19.770 4.487 10.665 292 2HG ARG 97 HG1 ARG 97 19.028 4.128 12.223 293 1HD ARG 97 HD2 ARG 97 18.275 2.518 9.796 294 2HD ARG 97 HD1 ARG 97 19.756 2.144 10.675 295 HE ARG 97 HE ARG 97 17.360 1.142 11.502 296 1HH1 ARG 97 HH21 ARG 97 20.083 1.888 13.072 297 2HH1 ARG 97 HH22 ARG 97 19.367 2.365 14.576 298 1HH2 ARG 97 HH11 ARG 97 16.142 2.491 13.307 299 2HH2 ARG 97 HH12 ARG 97 17.137 2.707 14.709 300 H LEU 98 HN LEU 98 18.272 6.550 8.370 301 HA LEU 98 HA LEU 98 21.091 6.395 8.232 302 1HB LEU 98 HB2 LEU 98 20.629 6.460 6.025 303 2HB LEU 98 HB1 LEU 98 18.949 6.790 6.422 304 HG LEU 98 HG LEU 98 19.565 9.251 6.536 305 1HD1 LEU 98 HD11 LEU 98 22.184 8.035 5.850 306 2HD1 LEU 98 HD13 LEU 98 21.754 9.487 4.947 307 3HD1 LEU 98 HD12 LEU 98 21.833 9.535 6.707 308 1HD2 LEU 98 HD23 LEU 98 19.058 7.564 4.320 309 2HD2 LEU 98 HD22 LEU 98 18.754 9.297 4.435 310 3HD2 LEU 98 HD21 LEU 98 20.290 8.711 3.797 311 H ILE 99 HN ILE 99 18.991 9.278 8.460 312 HA ILE 99 HA ILE 99 21.275 11.087 8.628 313 HB ILE 99 HB ILE 99 19.553 12.785 9.185 314 1HG1 ILE 99 HG12 ILE 99 17.521 10.563 8.939 315 2HG1 ILE 99 HG11 ILE 99 18.190 11.026 10.505 316 1HG2 ILE 99 HG22 ILE 99 19.634 11.112 6.823 317 2HG2 ILE 99 HG21 ILE 99 17.998 11.718 7.086 318 3HG2 ILE 99 HG23 ILE 99 19.344 12.848 6.940 319 1HD1 ILE 99 HD11 ILE 99 17.318 13.320 8.887 320 2HD1 ILE 99 HD13 ILE 99 16.007 12.217 9.303 321 3HD1 ILE 99 HD12 ILE 99 16.984 12.945 10.578 322 H LYS 100 HN LYS 100 19.322 9.251 10.867 323 HA LYS 100 HA LYS 100 20.428 10.729 13.186 324 1HB LYS 100 HB2 LYS 100 17.983 9.929 13.001 325 2HB LYS 100 HB1 LYS 100 18.619 8.311 13.300 326 1HG LYS 100 HG2 LYS 100 18.564 8.779 15.502 327 2HG LYS 100 HG1 LYS 100 19.849 9.955 15.220 328 1HD LYS 100 HD2 LYS 100 18.434 11.726 15.376 329 2HD LYS 100 HD1 LYS 100 17.154 10.901 14.486 330 1HE LYS 100 HE2 LYS 100 16.298 9.877 16.396 331 2HE LYS 100 HE1 LYS 100 17.832 9.982 17.262 332 1HZ LYS 100 HZ2 LYS 100 16.441 12.450 16.480 333 2HZ LYS 100 HZ1 LYS 100 15.905 11.593 17.845 334 3HZ LYS 100 HZ3 LYS 100 17.497 12.174 17.783 335 H LYS 101 HN LYS 101 22.357 10.068 13.983 336 HA LYS 101 HA LYS 101 24.123 8.651 14.613 337 1HB LYS 101 HB2 LYS 101 21.735 7.300 15.252 338 2HB LYS 101 HB1 LYS 101 22.744 6.108 14.431 339 1HG LYS 101 HG2 LYS 101 23.786 5.847 16.422 340 2HG LYS 101 HG1 LYS 101 24.544 7.405 16.089 341 1HD LYS 101 HD2 LYS 101 21.981 6.933 17.637 342 2HD LYS 101 HD1 LYS 101 23.518 7.501 18.289 343 1HE LYS 101 HE2 LYS 101 23.367 9.524 16.874 344 2HE LYS 101 HE1 LYS 101 21.817 8.961 16.246 345 1HZ LYS 101 HZ2 LYS 101 21.074 8.888 18.636 346 2HZ LYS 101 HZ1 LYS 101 22.478 9.763 19.018 347 3HZ LYS 101 HZ3 LYS 101 21.316 10.437 17.983 348 1H VAL 62 HT3 VAL 62 -16.008 -29.649 22.021 349 2H VAL 62 HT2 VAL 62 -15.288 -28.120 22.193 350 3H VAL 62 HT1 VAL 62 -16.478 -28.631 23.293 351 HA VAL 62 HA VAL 62 -18.188 -28.178 21.910 352 HB VAL 62 HB VAL 62 -17.780 -26.112 20.739 353 1HG1 VAL 62 HG13 VAL 62 -16.749 -26.645 23.357 354 2HG1 VAL 62 HG12 VAL 62 -15.692 -25.470 22.574 355 3HG1 VAL 62 HG11 VAL 62 -17.417 -25.137 22.733 356 1HG2 VAL 62 HG23 VAL 62 -14.992 -27.219 20.562 357 2HG2 VAL 62 HG22 VAL 62 -15.982 -26.492 19.296 358 3HG2 VAL 62 HG21 VAL 62 -15.231 -25.472 20.524 359 H GLN 63 HN GLN 63 -18.893 -27.840 19.515 360 HA GLN 63 HA GLN 63 -17.544 -29.949 17.884 361 1HB GLN 63 HB2 GLN 63 -19.679 -30.357 16.823 362 2HB GLN 63 HB1 GLN 63 -19.936 -30.362 18.567 363 1HG GLN 63 HG2 GLN 63 -20.270 -27.805 17.019 364 2HG GLN 63 HG1 GLN 63 -21.570 -28.995 17.040 365 1HE2 GLN 63 HE22 GLN 63 -21.153 -26.584 20.193 366 2HE2 GLN 63 HE21 GLN 63 -20.424 -26.303 18.686 367 H LEU 64 HN LEU 64 -17.431 -29.552 15.550 368 HA LEU 64 HA LEU 64 -16.528 -26.907 14.910 369 1HB LEU 64 HB2 LEU 64 -16.708 -29.472 13.588 370 2HB LEU 64 HB1 LEU 64 -17.237 -28.188 12.499 371 HG LEU 64 HG LEU 64 -15.144 -26.916 13.125 372 1HD1 LEU 64 HD12 LEU 64 -14.719 -28.115 15.253 373 2HD1 LEU 64 HD11 LEU 64 -14.388 -29.590 14.345 374 3HD1 LEU 64 HD13 LEU 64 -13.324 -28.193 14.177 375 1HD2 LEU 64 HD21 LEU 64 -15.531 -29.009 11.302 376 2HD2 LEU 64 HD23 LEU 64 -14.238 -27.810 11.258 377 3HD2 LEU 64 HD22 LEU 64 -13.977 -29.361 12.057 378 H ALA 65 HN ALA 65 -18.539 -25.765 15.725 379 HA ALA 65 HA ALA 65 -20.772 -25.881 13.762 380 1HB ALA 65 HB1 ALA 65 -20.779 -25.709 16.532 381 2HB ALA 65 HB3 ALA 65 -21.090 -24.048 16.028 382 3HB ALA 65 HB2 ALA 65 -22.150 -25.349 15.482 383 H HIS 66 HN HIS 66 -18.075 -23.966 14.723 384 HA HIS 66 HA HIS 66 -18.917 -21.365 13.989 385 1HB HIS 66 HB2 HIS 66 -16.595 -20.821 13.770 386 2HB HIS 66 HB1 HIS 66 -16.696 -22.037 15.043 387 HD1 HIS 66 HD1 HIS 66 -17.176 -24.409 12.869 388 HD2 HIS 66 HD2 HIS 66 -13.990 -21.722 12.993 389 HE1 HIS 66 HE1 HIS 66 -15.267 -25.502 11.612 390 H HIS 67 HN HIS 67 -17.867 -20.275 11.903 391 HA HIS 67 HA HIS 67 -17.946 -22.026 9.539 392 1HB HIS 67 HB2 HIS 67 -19.767 -20.801 8.450 393 2HB HIS 67 HB1 HIS 67 -20.339 -21.497 9.966 394 HD1 HIS 67 HD1 HIS 67 -21.013 -18.629 8.277 395 HD2 HIS 67 HD2 HIS 67 -19.397 -19.191 12.078 396 HE1 HIS 67 HE1 HIS 67 -21.434 -16.486 9.558 397 H PHE 68 HN PHE 68 -17.492 -20.680 7.520 398 HA PHE 68 HA PHE 68 -16.324 -18.026 7.991 399 1HB PHE 68 HB2 PHE 68 -14.149 -18.996 6.798 400 2HB PHE 68 HB1 PHE 68 -14.326 -19.049 8.552 401 HD1 PHE 68 HD2 PHE 68 -15.005 -21.147 9.688 402 HD2 PHE 68 HD1 PHE 68 -14.254 -21.005 5.461 403 HE1 PHE 68 HE2 PHE 68 -14.858 -23.622 9.631 404 HE2 PHE 68 HE1 PHE 68 -14.106 -23.480 5.404 405 HZ PHE 68 HZ PHE 68 -14.409 -24.788 7.489 406 H SER 69 HN SER 69 -18.398 -18.264 6.417 407 HA SER 69 HA SER 69 -17.746 -19.049 3.685 408 1HB SER 69 HB2 SER 69 -20.031 -17.219 4.317 409 2HB SER 69 HB1 SER 69 -19.960 -18.570 3.188 410 HG SER 69 HG SER 69 -19.836 -19.945 5.059 411 H GLU 70 HN GLU 70 -17.908 -17.406 1.872 412 HA GLU 70 HA GLU 70 -16.922 -15.526 0.853 413 1HB GLU 70 HB2 GLU 70 -18.610 -14.577 3.089 414 2HB GLU 70 HB1 GLU 70 -17.424 -13.410 2.503 415 1HG GLU 70 HG2 GLU 70 -18.264 -13.600 0.239 416 2HG GLU 70 HG1 GLU 70 -19.334 -14.923 0.702 417 HA PRO 71 HA PRO 71 -13.074 -15.883 3.265 418 1HB PRO 71 HB2 PRO 71 -11.700 -15.192 0.832 419 2HB PRO 71 HB1 PRO 71 -11.759 -16.764 1.640 420 1HG PRO 71 HG2 PRO 71 -13.078 -15.993 -0.807 421 2HG PRO 71 HG1 PRO 71 -13.132 -17.561 0.007 422 1HD PRO 71 HD2 PRO 71 -15.225 -15.588 -0.158 423 2HD PRO 71 HD1 PRO 71 -15.272 -17.158 0.670 424 H GLU 72 HN GLU 72 -14.209 -13.708 4.030 425 HA GLU 72 HA GLU 72 -13.500 -11.238 2.762 426 1HB GLU 72 HB2 GLU 72 -14.767 -12.089 5.241 427 2HB GLU 72 HB1 GLU 72 -13.703 -10.706 5.504 428 1HG GLU 72 HG2 GLU 72 -15.424 -10.579 3.090 429 2HG GLU 72 HG1 GLU 72 -16.256 -10.455 4.640 430 H ILE 73 HN ILE 73 -12.232 -12.331 5.925 431 HA ILE 73 HA ILE 73 -10.007 -10.721 6.081 432 HB ILE 73 HB ILE 73 -10.837 -12.552 7.712 433 1HG1 ILE 73 HG12 ILE 73 -8.139 -12.929 8.162 434 2HG1 ILE 73 HG11 ILE 73 -8.175 -11.451 7.198 435 1HG2 ILE 73 HG22 ILE 73 -10.252 -14.290 5.764 436 2HG2 ILE 73 HG21 ILE 73 -8.675 -14.255 6.552 437 3HG2 ILE 73 HG23 ILE 73 -10.107 -14.728 7.466 438 1HD1 ILE 73 HD13 ILE 73 -10.273 -11.488 9.225 439 2HD1 ILE 73 HD12 ILE 73 -8.664 -11.620 9.935 440 3HD1 ILE 73 HD11 ILE 73 -9.058 -10.252 8.894 441 H THR 74 HN THR 74 -10.407 -13.569 4.044 442 HA THR 74 HA THR 74 -7.642 -13.807 3.277 443 HB THR 74 HB THR 74 -10.191 -14.637 1.859 444 HG1 THR 74 HG1 THR 74 -9.985 -15.894 3.589 445 1HG2 THR 74 HG21 THR 74 -7.282 -15.025 1.191 446 2HG2 THR 74 HG23 THR 74 -8.486 -16.209 0.687 447 3HG2 THR 74 HG22 THR 74 -8.604 -14.540 0.129 448 H LEU 75 HN LEU 75 -10.434 -12.170 1.767 449 HA LEU 75 HA LEU 75 -8.831 -11.053 -0.383 450 1HB LEU 75 HB2 LEU 75 -11.472 -11.395 -0.152 451 2HB LEU 75 HB1 LEU 75 -11.383 -9.747 0.471 452 HG LEU 75 HG LEU 75 -10.529 -10.765 -2.244 453 1HD1 LEU 75 HD12 LEU 75 -12.885 -9.684 -1.383 454 2HD1 LEU 75 HD11 LEU 75 -12.017 -8.232 -1.887 455 3HD1 LEU 75 HD13 LEU 75 -12.285 -9.546 -3.035 456 1HD2 LEU 75 HD23 LEU 75 -9.823 -8.145 -0.885 457 2HD2 LEU 75 HD22 LEU 75 -8.697 -9.376 -1.456 458 3HD2 LEU 75 HD21 LEU 75 -9.642 -8.440 -2.615 459 H ILE 76 HN ILE 76 -10.165 -9.716 2.657 460 HA ILE 76 HA ILE 76 -9.168 -7.080 2.321 461 HB ILE 76 HB ILE 76 -9.210 -8.518 4.987 462 1HG1 ILE 76 HG12 ILE 76 -11.573 -7.241 3.574 463 2HG1 ILE 76 HG11 ILE 76 -11.334 -8.978 3.733 464 1HG2 ILE 76 HG21 ILE 76 -8.427 -6.022 4.451 465 2HG2 ILE 76 HG23 ILE 76 -10.164 -5.729 4.529 466 3HG2 ILE 76 HG22 ILE 76 -9.322 -6.415 5.919 467 1HD1 ILE 76 HD11 ILE 76 -11.074 -7.546 6.278 468 2HD1 ILE 76 HD13 ILE 76 -12.675 -7.402 5.553 469 3HD1 ILE 76 HD12 ILE 76 -12.002 -8.995 5.891 470 H ILE 77 HN ILE 77 -7.650 -9.927 3.859 471 HA ILE 77 HA ILE 77 -5.164 -8.699 4.486 472 HB ILE 77 HB ILE 77 -5.910 -11.552 3.808 473 1HG1 ILE 77 HG12 ILE 77 -5.139 -10.115 6.368 474 2HG1 ILE 77 HG11 ILE 77 -6.750 -10.691 5.940 475 1HG2 ILE 77 HG22 ILE 77 -3.245 -10.292 4.129 476 2HG2 ILE 77 HG21 ILE 77 -3.506 -11.764 5.065 477 3HG2 ILE 77 HG23 ILE 77 -3.692 -11.790 3.311 478 1HD1 ILE 77 HD11 ILE 77 -4.733 -12.792 5.722 479 2HD1 ILE 77 HD13 ILE 77 -4.832 -12.128 7.352 480 3HD1 ILE 77 HD12 ILE 77 -6.271 -12.802 6.586 481 H PHE 78 HN PHE 78 -6.212 -10.461 1.575 482 HA PHE 78 HA PHE 78 -3.799 -10.272 0.112 483 1HB PHE 78 HB2 PHE 78 -6.692 -10.476 -0.696 484 2HB PHE 78 HB1 PHE 78 -5.441 -10.269 -1.920 485 HD1 PHE 78 HD1 PHE 78 -5.070 -12.085 1.305 486 HD2 PHE 78 HD2 PHE 78 -5.486 -12.418 -2.957 487 HE1 PHE 78 HE1 PHE 78 -4.526 -14.499 1.441 488 HE2 PHE 78 HE2 PHE 78 -4.942 -14.833 -2.821 489 HZ PHE 78 HZ PHE 78 -4.462 -15.874 -0.622 490 H GLY 79 HN GLY 79 -6.579 -8.003 0.141 491 1HA GLY 79 HA2 GLY 79 -5.526 -6.174 -1.749 492 2HA GLY 79 HA1 GLY 79 -6.639 -5.726 -0.457 493 H VAL 80 HN VAL 80 -5.130 -6.201 1.817 494 HA VAL 80 HA VAL 80 -3.483 -3.891 1.971 495 HB VAL 80 HB VAL 80 -3.433 -6.400 3.673 496 1HG1 VAL 80 HG13 VAL 80 -1.434 -4.681 3.698 497 2HG1 VAL 80 HG12 VAL 80 -2.574 -3.670 4.588 498 3HG1 VAL 80 HG11 VAL 80 -2.116 -5.251 5.221 499 1HG2 VAL 80 HG22 VAL 80 -5.441 -4.481 3.315 500 2HG2 VAL 80 HG21 VAL 80 -5.297 -5.595 4.674 501 3HG2 VAL 80 HG23 VAL 80 -4.615 -3.974 4.789 502 H MET 81 HN MET 81 -2.594 -7.317 1.564 503 HA MET 81 HA MET 81 0.218 -6.970 1.411 504 1HB MET 81 HB2 MET 81 -1.625 -8.998 0.125 505 2HB MET 81 HB1 MET 81 0.133 -9.096 0.012 506 1HG MET 81 HG2 MET 81 0.012 -8.812 2.633 507 2HG MET 81 HG1 MET 81 -1.631 -9.413 2.418 508 1HE MET 81 HE2 MET 81 -2.305 -11.096 1.180 509 2HE MET 81 HE1 MET 81 -1.363 -12.286 0.286 510 3HE MET 81 HE3 MET 81 -1.841 -12.607 1.959 511 H ALA 82 HN ALA 82 -2.230 -6.951 -1.182 512 HA ALA 82 HA ALA 82 -0.458 -6.552 -3.344 513 1HB ALA 82 HB3 ALA 82 -3.333 -6.328 -2.905 514 2HB ALA 82 HB2 ALA 82 -2.746 -5.108 -4.039 515 3HB ALA 82 HB1 ALA 82 -2.453 -6.817 -4.350 516 H GLY 83 HN GLY 83 -2.071 -4.064 -1.286 517 1HA GLY 83 HA2 GLY 83 -1.059 -1.815 -2.678 518 2HA GLY 83 HA1 GLY 83 -1.448 -1.826 -0.956 519 H VAL 84 HN VAL 84 0.382 -3.636 0.056 520 HA VAL 84 HA VAL 84 2.753 -2.087 0.276 521 HB VAL 84 HB VAL 84 2.465 -5.081 0.672 522 1HG1 VAL 84 HG12 VAL 84 4.467 -3.037 1.671 523 2HG1 VAL 84 HG11 VAL 84 4.320 -4.665 2.334 524 3HG1 VAL 84 HG13 VAL 84 4.792 -4.437 0.649 525 1HG2 VAL 84 HG23 VAL 84 1.719 -2.690 2.325 526 2HG2 VAL 84 HG22 VAL 84 0.859 -4.217 2.118 527 3HG2 VAL 84 HG21 VAL 84 2.293 -4.143 3.142 528 H ILE 85 HN ILE 85 2.117 -4.986 -1.723 529 HA ILE 85 HA ILE 85 4.669 -5.180 -2.928 530 HB ILE 85 HB ILE 85 1.917 -5.880 -3.973 531 1HG1 ILE 85 HG12 ILE 85 4.212 -7.498 -2.820 532 2HG1 ILE 85 HG11 ILE 85 2.667 -7.171 -2.033 533 1HG2 ILE 85 HG21 ILE 85 4.642 -6.540 -5.135 534 2HG2 ILE 85 HG23 ILE 85 3.110 -7.216 -5.688 535 3HG2 ILE 85 HG22 ILE 85 3.431 -5.492 -5.874 536 1HD1 ILE 85 HD11 ILE 85 2.189 -8.263 -4.654 537 2HD1 ILE 85 HD13 ILE 85 3.291 -9.321 -3.771 538 3HD1 ILE 85 HD12 ILE 85 1.717 -8.916 -3.085 539 H GLY 86 HN GLY 86 1.794 -3.357 -4.047 540 1HA GLY 86 HA2 GLY 86 2.911 -2.360 -6.440 541 2HA GLY 86 HA1 GLY 86 1.658 -1.534 -5.513 542 H THR 87 HN THR 87 2.988 -0.912 -3.161 543 HA THR 87 HA THR 87 4.434 1.425 -3.862 544 HB THR 87 HB THR 87 4.429 -0.217 -1.316 545 HG1 THR 87 HG1 THR 87 2.493 0.836 -1.904 546 1HG2 THR 87 HG21 THR 87 5.954 2.226 -2.091 547 2HG2 THR 87 HG23 THR 87 5.247 2.186 -0.474 548 3HG2 THR 87 HG22 THR 87 6.390 0.937 -0.969 549 H ILE 88 HN ILE 88 5.643 -1.774 -2.832 550 HA ILE 88 HA ILE 88 8.410 -1.175 -2.944 551 HB ILE 88 HB ILE 88 7.027 -3.792 -3.618 552 1HG1 ILE 88 HG12 ILE 88 8.097 -2.670 -1.007 553 2HG1 ILE 88 HG11 ILE 88 6.401 -2.951 -1.399 554 1HG2 ILE 88 HG21 ILE 88 9.873 -2.975 -3.190 555 2HG2 ILE 88 HG23 ILE 88 9.358 -4.542 -2.568 556 3HG2 ILE 88 HG22 ILE 88 9.208 -4.184 -4.288 557 1HD1 ILE 88 HD11 ILE 88 7.249 -5.411 -1.880 558 2HD1 ILE 88 HD13 ILE 88 8.563 -4.940 -0.803 559 3HD1 ILE 88 HD12 ILE 88 6.895 -4.897 -0.230 560 H LEU 89 HN LEU 89 6.266 -2.438 -5.513 561 HA LEU 89 HA LEU 89 8.233 -2.650 -7.535 562 1HB LEU 89 HB2 LEU 89 6.408 -3.508 -8.538 563 2HB LEU 89 HB1 LEU 89 5.351 -2.759 -7.348 564 HG LEU 89 HG LEU 89 5.542 -0.611 -8.683 565 1HD1 LEU 89 HD12 LEU 89 7.195 -2.460 -10.332 566 2HD1 LEU 89 HD11 LEU 89 6.132 -1.355 -11.202 567 3HD1 LEU 89 HD13 LEU 89 7.351 -0.719 -10.098 568 1HD2 LEU 89 HD22 LEU 89 3.889 -2.818 -9.008 569 2HD2 LEU 89 HD21 LEU 89 3.614 -1.222 -9.705 570 3HD2 LEU 89 HD23 LEU 89 4.422 -2.470 -10.653 571 H LEU 90 HN LEU 90 6.150 0.131 -6.696 572 HA LEU 90 HA LEU 90 7.069 1.896 -8.721 573 1HB LEU 90 HB2 LEU 90 5.178 2.538 -7.369 574 2HB LEU 90 HB1 LEU 90 6.135 2.449 -5.890 575 HG LEU 90 HG LEU 90 7.566 4.296 -6.713 576 1HD1 LEU 90 HD11 LEU 90 5.890 3.862 -9.131 577 2HD1 LEU 90 HD13 LEU 90 6.260 5.539 -8.726 578 3HD1 LEU 90 HD12 LEU 90 7.568 4.388 -9.004 579 1HD2 LEU 90 HD22 LEU 90 5.394 4.651 -5.392 580 2HD2 LEU 90 HD21 LEU 90 6.000 6.046 -6.283 581 3HD2 LEU 90 HD23 LEU 90 4.656 5.104 -6.928 582 H ILE 91 HN ILE 91 8.354 1.391 -5.417 583 HA ILE 91 HA ILE 91 10.457 3.291 -5.571 584 HB ILE 91 HB ILE 91 10.382 0.626 -4.120 585 1HG1 ILE 91 HG12 ILE 91 9.714 3.461 -3.261 586 2HG1 ILE 91 HG11 ILE 91 8.569 2.133 -3.458 587 1HG2 ILE 91 HG22 ILE 91 12.459 2.648 -4.412 588 2HG2 ILE 91 HG21 ILE 91 11.983 2.447 -2.727 589 3HG2 ILE 91 HG23 ILE 91 12.548 1.058 -3.654 590 1HD1 ILE 91 HD12 ILE 91 10.662 1.218 -1.751 591 2HD1 ILE 91 HD11 ILE 91 10.136 2.792 -1.154 592 3HD1 ILE 91 HD13 ILE 91 8.968 1.484 -1.342 593 H SER 92 HN SER 92 10.481 -0.181 -6.471 594 HA SER 92 HA SER 92 13.200 -0.275 -7.273 595 1HB SER 92 HB2 SER 92 11.299 -1.775 -8.975 596 2HB SER 92 HB1 SER 92 12.693 -2.354 -8.067 597 HG SER 92 HG SER 92 11.346 -2.944 -6.582 598 H TYR 93 HN TYR 93 10.287 0.522 -9.201 599 HA TYR 93 HA TYR 93 11.632 1.034 -11.648 600 1HB TYR 93 HB2 TYR 93 9.069 0.996 -11.080 601 2HB TYR 93 HB1 TYR 93 9.299 2.721 -10.790 602 HD1 TYR 93 HD1 TYR 93 10.407 0.163 -13.314 603 HD2 TYR 93 HD2 TYR 93 8.886 4.117 -12.603 604 HE1 TYR 93 HE1 TYR 93 10.362 0.587 -15.758 605 HE2 TYR 93 HE2 TYR 93 8.840 4.539 -15.046 606 HH TYR 93 HH TYR 93 8.665 2.986 -17.177 607 H GLY 94 HN GLY 94 10.843 3.277 -8.973 608 1HA GLY 94 HA2 GLY 94 11.943 5.618 -10.116 609 2HA GLY 94 HA1 GLY 94 11.826 5.319 -8.382 610 H ILE 95 HN ILE 95 13.507 3.159 -8.045 611 HA ILE 95 HA ILE 95 16.074 4.371 -7.953 612 HB ILE 95 HB ILE 95 15.115 1.523 -7.743 613 1HG1 ILE 95 HG12 ILE 95 16.843 2.558 -5.657 614 2HG1 ILE 95 HG11 ILE 95 15.520 3.680 -5.973 615 1HG2 ILE 95 HG22 ILE 95 18.013 2.425 -7.732 616 2HG2 ILE 95 HG21 ILE 95 17.447 0.828 -7.240 617 3HG2 ILE 95 HG23 ILE 95 17.266 1.352 -8.915 618 1HD1 ILE 95 HD13 ILE 95 14.078 1.449 -5.967 619 2HD1 ILE 95 HD12 ILE 95 15.418 0.856 -4.987 620 3HD1 ILE 95 HD11 ILE 95 14.493 2.260 -4.457 621 H ARG 96 HN ARG 96 14.760 2.036 -10.327 622 HA ARG 96 HA ARG 96 17.077 1.821 -11.947 623 1HB ARG 96 HB2 ARG 96 15.126 0.375 -12.282 624 2HB ARG 96 HB1 ARG 96 14.162 1.766 -12.784 625 1HG ARG 96 HG2 ARG 96 15.092 1.822 -14.859 626 2HG ARG 96 HG1 ARG 96 16.702 1.434 -14.253 627 1HD ARG 96 HD2 ARG 96 15.759 -0.380 -15.681 628 2HD ARG 96 HD1 ARG 96 16.093 -0.921 -14.036 629 HE ARG 96 HE ARG 96 13.445 -0.124 -13.938 630 1HH1 ARG 96 HH11 ARG 96 15.412 -2.495 -15.456 631 2HH1 ARG 96 HH12 ARG 96 14.077 -3.461 -15.991 632 1HH2 ARG 96 HH21 ARG 96 11.667 -1.260 -14.821 633 2HH2 ARG 96 HH22 ARG 96 11.960 -2.762 -15.631 634 H ARG 97 HN ARG 97 14.364 4.129 -12.179 635 HA ARG 97 HA ARG 97 15.295 5.555 -14.439 636 1HB ARG 97 HB2 ARG 97 13.079 6.003 -13.676 637 2HB ARG 97 HB1 ARG 97 13.642 6.413 -12.056 638 1HG ARG 97 HG2 ARG 97 14.017 8.557 -12.649 639 2HG ARG 97 HG1 ARG 97 14.947 8.061 -14.062 640 1HD ARG 97 HD2 ARG 97 13.155 9.124 -15.088 641 2HD ARG 97 HD1 ARG 97 12.556 7.466 -15.030 642 HE ARG 97 HE ARG 97 11.688 8.572 -12.640 643 1HH1 ARG 97 HH21 ARG 97 11.870 10.852 -14.917 644 2HH1 ARG 97 HH22 ARG 97 10.176 11.005 -15.241 645 1HH2 ARG 97 HH11 ARG 97 9.314 8.126 -13.510 646 2HH2 ARG 97 HH12 ARG 97 8.729 9.461 -14.446 647 H LEU 98 HN LEU 98 15.942 6.164 -10.976 648 HA LEU 98 HA LEU 98 17.536 8.479 -11.306 649 1HB LEU 98 HB2 LEU 98 16.869 6.712 -9.192 650 2HB LEU 98 HB1 LEU 98 18.630 6.818 -9.223 651 HG LEU 98 HG LEU 98 16.727 9.179 -9.180 652 1HD1 LEU 98 HD12 LEU 98 17.366 7.553 -7.082 653 2HD1 LEU 98 HD11 LEU 98 18.674 8.733 -6.999 654 3HD1 LEU 98 HD13 LEU 98 16.996 9.270 -6.918 655 1HD2 LEU 98 HD22 LEU 98 19.752 8.958 -9.189 656 2HD2 LEU 98 HD21 LEU 98 18.737 9.760 -10.386 657 3HD2 LEU 98 HD23 LEU 98 18.889 10.436 -8.765 658 H ILE 99 HN ILE 99 18.525 5.049 -11.260 659 HA ILE 99 HA ILE 99 21.312 5.638 -11.779 660 HB ILE 99 HB ILE 99 21.503 3.225 -12.197 661 1HG1 ILE 99 HG12 ILE 99 18.522 2.999 -11.839 662 2HG1 ILE 99 HG11 ILE 99 19.203 3.276 -13.441 663 1HG2 ILE 99 HG22 ILE 99 21.053 4.282 -9.838 664 2HG2 ILE 99 HG21 ILE 99 19.489 3.479 -9.976 665 3HG2 ILE 99 HG23 ILE 99 20.975 2.531 -10.023 666 1HD1 ILE 99 HD12 ILE 99 20.285 1.076 -11.692 667 2HD1 ILE 99 HD11 ILE 99 18.830 0.816 -12.656 668 3HD1 ILE 99 HD13 ILE 99 20.351 1.227 -13.447 669 H LYS 100 HN LYS 100 18.476 5.374 -13.755 670 HA LYS 100 HA LYS 100 20.165 5.852 -16.154 671 1HB LYS 100 HB2 LYS 100 18.492 3.486 -15.613 672 2HB LYS 100 HB1 LYS 100 18.176 4.252 -17.173 673 1HG LYS 100 HG2 LYS 100 20.887 4.305 -17.170 674 2HG LYS 100 HG1 LYS 100 20.608 2.847 -16.216 675 1HD LYS 100 HD2 LYS 100 18.808 2.467 -18.217 676 2HD LYS 100 HD1 LYS 100 20.061 3.359 -19.081 677 1HE LYS 100 HE2 LYS 100 21.454 1.586 -19.064 678 2HE LYS 100 HE1 LYS 100 21.209 1.331 -17.336 679 1HZ LYS 100 HZ1 LYS 100 19.335 0.464 -19.471 680 2HZ LYS 100 HZ3 LYS 100 20.439 -0.549 -18.674 681 3HZ LYS 100 HZ2 LYS 100 19.168 0.168 -17.806 682 H LYS 101 HN LYS 101 19.441 7.918 -16.560 683 HA LYS 101 HA LYS 101 17.927 9.679 -16.965 684 1HB LYS 101 HB2 LYS 101 17.052 7.298 -18.464 685 2HB LYS 101 HB1 LYS 101 15.782 8.497 -18.217 686 1HG LYS 101 HG2 LYS 101 18.389 9.639 -18.991 687 2HG LYS 101 HG1 LYS 101 17.651 8.613 -20.221 688 1HD LYS 101 HD2 LYS 101 15.975 10.669 -18.812 689 2HD LYS 101 HD1 LYS 101 17.035 11.166 -20.132 690 1HE LYS 101 HE2 LYS 101 15.462 8.748 -20.718 691 2HE LYS 101 HE1 LYS 101 14.482 10.192 -20.457 692 1HZ LYS 101 HZ2 LYS 101 16.541 11.073 -21.996 693 2HZ LYS 101 HZ1 LYS 101 16.216 9.536 -22.640 694 3HZ LYS 101 HZ3 LYS 101 14.981 10.695 -22.551 No H/Q in entry = 694 Start of MODEL 19 1 1H VAL 62 HT1 VAL 62 -13.644 3.462 7.907 2 2H VAL 62 HT3 VAL 62 -13.844 3.239 9.576 3 3H VAL 62 HT2 VAL 62 -13.380 1.931 8.596 4 HA VAL 62 HA VAL 62 -15.472 1.763 7.596 5 HB VAL 62 HB VAL 62 -15.462 0.853 9.855 6 1HG1 VAL 62 HG11 VAL 62 -15.520 3.720 10.539 7 2HG1 VAL 62 HG13 VAL 62 -16.594 2.720 11.517 8 3HG1 VAL 62 HG12 VAL 62 -14.869 2.360 11.452 9 1HG2 VAL 62 HG21 VAL 62 -17.740 1.788 8.494 10 2HG2 VAL 62 HG23 VAL 62 -17.695 0.541 9.740 11 3HG2 VAL 62 HG22 VAL 62 -18.000 2.221 10.184 12 H GLN 63 HN GLN 63 -15.215 3.983 6.394 13 HA GLN 63 HA GLN 63 -16.751 6.205 7.504 14 1HB GLN 63 HB2 GLN 63 -16.384 7.236 5.276 15 2HB GLN 63 HB1 GLN 63 -14.879 6.633 5.969 16 1HG GLN 63 HG2 GLN 63 -14.576 5.411 4.105 17 2HG GLN 63 HG1 GLN 63 -15.993 4.462 4.555 18 1HE2 GLN 63 HE22 GLN 63 -17.220 5.609 1.395 19 2HE2 GLN 63 HE21 GLN 63 -16.486 4.299 2.187 20 H LEU 64 HN LEU 64 -18.722 7.044 6.428 21 HA LEU 64 HA LEU 64 -20.327 4.829 5.213 22 1HB LEU 64 HB2 LEU 64 -20.955 6.801 7.354 23 2HB LEU 64 HB1 LEU 64 -22.246 6.434 6.210 24 HG LEU 64 HG LEU 64 -20.880 4.011 7.031 25 1HD1 LEU 64 HD11 LEU 64 -20.859 5.836 9.068 26 2HD1 LEU 64 HD13 LEU 64 -22.424 5.063 9.321 27 3HD1 LEU 64 HD12 LEU 64 -20.951 4.092 9.306 28 1HD2 LEU 64 HD21 LEU 64 -23.597 5.108 6.686 29 2HD2 LEU 64 HD23 LEU 64 -22.974 3.504 6.296 30 3HD2 LEU 64 HD22 LEU 64 -23.467 3.882 7.948 31 H ALA 65 HN ALA 65 -21.693 5.409 3.456 32 HA ALA 65 HA ALA 65 -22.446 7.883 2.507 33 1HB ALA 65 HB1 ALA 65 -19.547 7.338 1.960 34 2HB ALA 65 HB3 ALA 65 -20.499 8.177 0.735 35 3HB ALA 65 HB2 ALA 65 -20.342 8.863 2.352 36 H HIS 66 HN HIS 66 -21.250 4.694 1.801 37 HA HIS 66 HA HIS 66 -22.842 4.708 -0.734 38 1HB HIS 66 HB2 HIS 66 -20.264 3.370 0.019 39 2HB HIS 66 HB1 HIS 66 -21.323 2.583 -1.150 40 HD1 HIS 66 HD1 HIS 66 -19.322 5.743 -0.632 41 HD2 HIS 66 HD2 HIS 66 -21.435 3.833 -3.676 42 HE1 HIS 66 HE1 HIS 66 -18.793 6.996 -2.769 43 H HIS 67 HN HIS 67 -24.457 3.186 -0.902 44 HA HIS 67 HA HIS 67 -24.638 1.146 1.278 45 1HB HIS 67 HB2 HIS 67 -27.080 2.366 0.007 46 2HB HIS 67 HB1 HIS 67 -26.930 1.567 1.573 47 HD1 HIS 67 HD1 HIS 67 -27.007 3.183 3.455 48 HD2 HIS 67 HD2 HIS 67 -25.250 4.876 0.075 49 HE1 HIS 67 HE1 HIS 67 -26.400 5.561 4.078 50 H PHE 68 HN PHE 68 -23.505 0.816 -1.375 51 HA PHE 68 HA PHE 68 -25.588 -0.779 -2.782 52 1HB PHE 68 HB2 PHE 68 -22.911 0.346 -3.598 53 2HB PHE 68 HB1 PHE 68 -23.694 -0.917 -4.547 54 HD1 PHE 68 HD1 PHE 68 -26.220 -0.498 -5.151 55 HD2 PHE 68 HD2 PHE 68 -23.460 2.586 -4.000 56 HE1 PHE 68 HE1 PHE 68 -27.673 1.202 -6.222 57 HE2 PHE 68 HE2 PHE 68 -24.913 4.286 -5.071 58 HZ PHE 68 HZ PHE 68 -27.020 3.594 -6.182 59 H SER 69 HN SER 69 -25.624 -2.710 -1.560 60 HA SER 69 HA SER 69 -24.900 -4.885 -1.046 61 1HB SER 69 HB2 SER 69 -22.337 -4.230 -2.509 62 2HB SER 69 HB1 SER 69 -23.053 -5.816 -2.237 63 HG SER 69 HG SER 69 -24.803 -5.139 -3.563 64 H GLU 70 HN GLU 70 -22.386 -5.815 -0.286 65 HA GLU 70 HA GLU 70 -21.981 -4.269 2.198 66 1HB GLU 70 HB2 GLU 70 -20.752 -6.188 2.985 67 2HB GLU 70 HB1 GLU 70 -22.196 -6.793 2.173 68 1HG GLU 70 HG2 GLU 70 -20.444 -6.657 0.081 69 2HG GLU 70 HG1 GLU 70 -19.355 -7.062 1.409 70 HA PRO 71 HA PRO 71 -18.352 -2.202 0.911 71 1HB PRO 71 HB2 PRO 71 -16.969 -2.546 3.395 72 2HB PRO 71 HB1 PRO 71 -17.895 -1.136 2.860 73 1HG PRO 71 HG2 PRO 71 -18.622 -3.066 4.886 74 2HG PRO 71 HG1 PRO 71 -19.524 -1.633 4.374 75 1HD PRO 71 HD2 PRO 71 -20.135 -4.397 3.818 76 2HD PRO 71 HD1 PRO 71 -21.037 -2.955 3.304 77 H GLU 72 HN GLU 72 -18.215 -4.690 -0.148 78 HA GLU 72 HA GLU 72 -16.014 -6.276 0.888 79 1HB GLU 72 HB2 GLU 72 -17.954 -7.051 -0.648 80 2HB GLU 72 HB1 GLU 72 -17.008 -6.354 -1.964 81 1HG GLU 72 HG2 GLU 72 -15.042 -7.749 -0.962 82 2HG GLU 72 HG1 GLU 72 -16.320 -8.668 -0.167 83 H ILE 73 HN ILE 73 -16.205 -4.714 -2.328 84 HA ILE 73 HA ILE 73 -13.411 -4.573 -2.693 85 HB ILE 73 HB ILE 73 -15.346 -4.137 -4.378 86 1HG1 ILE 73 HG12 ILE 73 -13.740 -2.330 -5.498 87 2HG1 ILE 73 HG11 ILE 73 -12.675 -2.830 -4.186 88 1HG2 ILE 73 HG21 ILE 73 -16.064 -2.125 -2.811 89 2HG2 ILE 73 HG23 ILE 73 -14.850 -1.247 -3.742 90 3HG2 ILE 73 HG22 ILE 73 -16.223 -1.992 -4.562 91 1HD1 ILE 73 HD11 ILE 73 -13.688 -5.233 -5.147 92 2HD1 ILE 73 HD13 ILE 73 -13.426 -4.280 -6.608 93 3HD1 ILE 73 HD12 ILE 73 -12.089 -4.575 -5.497 94 H THR 74 HN THR 74 -15.584 -2.582 -0.831 95 HA THR 74 HA THR 74 -13.874 -0.285 -0.558 96 HB THR 74 HB THR 74 -16.033 -1.391 1.266 97 HG1 THR 74 HG1 THR 74 -17.329 -0.051 0.184 98 1HG2 THR 74 HG22 THR 74 -14.327 1.079 1.397 99 2HG2 THR 74 HG21 THR 74 -15.978 1.117 2.017 100 3HG2 THR 74 HG23 THR 74 -14.806 -0.011 2.699 101 H LEU 75 HN LEU 75 -14.344 -3.204 1.457 102 HA LEU 75 HA LEU 75 -12.329 -2.482 3.379 103 1HB LEU 75 HB2 LEU 75 -13.882 -4.926 2.731 104 2HB LEU 75 HB1 LEU 75 -12.299 -5.222 3.441 105 HG LEU 75 HG LEU 75 -14.599 -3.653 4.616 106 1HD1 LEU 75 HD13 LEU 75 -13.112 -6.179 5.195 107 2HD1 LEU 75 HD12 LEU 75 -13.713 -5.249 6.568 108 3HD1 LEU 75 HD11 LEU 75 -14.836 -5.833 5.340 109 1HD2 LEU 75 HD22 LEU 75 -11.664 -3.437 5.122 110 2HD2 LEU 75 HD21 LEU 75 -12.925 -2.218 5.300 111 3HD2 LEU 75 HD23 LEU 75 -12.722 -3.464 6.532 112 H ILE 76 HN ILE 76 -12.223 -4.570 0.471 113 HA ILE 76 HA ILE 76 -9.488 -5.292 0.704 114 HB ILE 76 HB ILE 76 -11.264 -4.854 -1.710 115 1HG1 ILE 76 HG12 ILE 76 -10.083 -7.344 -0.440 116 2HG1 ILE 76 HG11 ILE 76 -11.745 -6.790 -0.237 117 1HG2 ILE 76 HG21 ILE 76 -8.900 -4.407 -2.329 118 2HG2 ILE 76 HG23 ILE 76 -8.445 -5.976 -1.663 119 3HG2 ILE 76 HG22 ILE 76 -9.504 -5.889 -3.071 120 1HD1 ILE 76 HD13 ILE 76 -11.205 -6.816 -3.029 121 2HD1 ILE 76 HD12 ILE 76 -10.642 -8.353 -2.374 122 3HD1 ILE 76 HD11 ILE 76 -12.316 -7.853 -2.135 123 H ILE 77 HN ILE 77 -10.990 -2.486 -0.931 124 HA ILE 77 HA ILE 77 -8.573 -1.257 -1.788 125 HB ILE 77 HB ILE 77 -11.342 -0.275 -1.166 126 1HG1 ILE 77 HG12 ILE 77 -10.601 -1.349 -3.356 127 2HG1 ILE 77 HG11 ILE 77 -11.358 0.238 -3.507 128 1HG2 ILE 77 HG21 ILE 77 -8.925 1.487 -1.672 129 2HG2 ILE 77 HG23 ILE 77 -10.591 2.030 -1.875 130 3HG2 ILE 77 HG22 ILE 77 -10.010 1.543 -0.283 131 1HD1 ILE 77 HD13 ILE 77 -8.366 -0.253 -3.417 132 2HD1 ILE 77 HD12 ILE 77 -9.294 0.061 -4.884 133 3HD1 ILE 77 HD11 ILE 77 -9.157 1.307 -3.644 134 H PHE 78 HN PHE 78 -10.412 -0.856 1.253 135 HA PHE 78 HA PHE 78 -8.704 1.055 2.463 136 1HB PHE 78 HB2 PHE 78 -10.754 -0.845 3.393 137 2HB PHE 78 HB1 PHE 78 -9.519 -0.486 4.597 138 HD1 PHE 78 HD1 PHE 78 -12.070 1.020 2.358 139 HD2 PHE 78 HD2 PHE 78 -9.353 1.674 5.621 140 HE1 PHE 78 HE1 PHE 78 -13.129 3.217 2.800 141 HE2 PHE 78 HE2 PHE 78 -10.412 3.872 6.062 142 HZ PHE 78 HZ PHE 78 -12.300 4.644 4.651 143 H GLY 79 HN GLY 79 -8.567 -2.520 2.667 144 1HA GLY 79 HA2 GLY 79 -6.297 -2.672 4.354 145 2HA GLY 79 HA1 GLY 79 -6.751 -3.913 3.184 146 H VAL 80 HN VAL 80 -6.487 -2.581 0.793 147 HA VAL 80 HA VAL 80 -3.705 -2.733 0.279 148 HB VAL 80 HB VAL 80 -5.771 -1.144 -1.277 149 1HG1 VAL 80 HG11 VAL 80 -3.049 -1.229 -1.628 150 2HG1 VAL 80 HG13 VAL 80 -3.582 -2.559 -2.656 151 3HG1 VAL 80 HG12 VAL 80 -4.213 -0.934 -2.920 152 1HG2 VAL 80 HG22 VAL 80 -6.059 -3.743 -0.672 153 2HG2 VAL 80 HG21 VAL 80 -6.490 -3.109 -2.260 154 3HG2 VAL 80 HG23 VAL 80 -4.940 -3.917 -2.022 155 H MET 81 HN MET 81 -5.772 0.140 0.797 156 HA MET 81 HA MET 81 -3.733 2.098 0.535 157 1HB MET 81 HB2 MET 81 -6.206 2.066 2.296 158 2HB MET 81 HB1 MET 81 -5.200 3.492 2.033 159 1HG MET 81 HG2 MET 81 -5.788 3.649 -0.233 160 2HG MET 81 HG1 MET 81 -6.301 1.963 -0.314 161 1HE MET 81 HE1 MET 81 -6.919 5.295 -0.232 162 2HE MET 81 HE3 MET 81 -8.657 5.544 -0.018 163 3HE MET 81 HE2 MET 81 -7.577 5.607 1.372 164 H ALA 82 HN ALA 82 -4.874 0.338 3.418 165 HA ALA 82 HA ALA 82 -3.107 1.521 5.286 166 1HB ALA 82 HB3 ALA 82 -4.842 -0.831 5.207 167 2HB ALA 82 HB2 ALA 82 -3.373 -1.122 6.144 168 3HB ALA 82 HB1 ALA 82 -4.434 0.220 6.562 169 H GLY 83 HN GLY 83 -2.624 -1.390 3.229 170 1HA GLY 83 HA2 GLY 83 -0.053 -2.068 4.204 171 2HA GLY 83 HA1 GLY 83 -0.620 -2.410 2.569 172 H VAL 84 HN VAL 84 -0.963 0.130 1.520 173 HA VAL 84 HA VAL 84 1.673 0.866 0.774 174 HB VAL 84 HB VAL 84 -0.881 2.501 0.750 175 1HG1 VAL 84 HG12 VAL 84 1.878 3.217 0.153 176 2HG1 VAL 84 HG11 VAL 84 0.843 3.397 -1.264 177 3HG1 VAL 84 HG13 VAL 84 0.449 4.249 0.229 178 1HG2 VAL 84 HG21 VAL 84 -0.479 0.259 -0.616 179 2HG2 VAL 84 HG23 VAL 84 -1.255 1.649 -1.378 180 3HG2 VAL 84 HG22 VAL 84 0.457 1.328 -1.661 181 H ILE 85 HN ILE 85 -0.507 2.373 3.182 182 HA ILE 85 HA ILE 85 1.257 4.421 4.027 183 HB ILE 85 HB ILE 85 -0.955 2.907 5.412 184 1HG1 ILE 85 HG12 ILE 85 -1.220 5.769 5.264 185 2HG1 ILE 85 HG11 ILE 85 -0.776 5.145 3.675 186 1HG2 ILE 85 HG23 ILE 85 1.066 4.760 6.584 187 2HG2 ILE 85 HG22 ILE 85 -0.615 5.002 7.060 188 3HG2 ILE 85 HG21 ILE 85 0.168 3.448 7.348 189 1HD1 ILE 85 HD13 ILE 85 -2.837 3.591 5.133 190 2HD1 ILE 85 HD12 ILE 85 -3.330 5.196 4.588 191 3HD1 ILE 85 HD11 ILE 85 -2.742 4.009 3.423 192 H GLY 86 HN GLY 86 0.884 1.085 5.275 193 1HA GLY 86 HA2 GLY 86 2.826 1.239 7.324 194 2HA GLY 86 HA1 GLY 86 2.395 -0.245 6.474 195 H THR 87 HN THR 87 3.243 0.291 3.893 196 HA THR 87 HA THR 87 6.025 -0.244 4.023 197 HB THR 87 HB THR 87 4.391 0.926 1.748 198 HG1 THR 87 HG1 THR 87 3.904 -1.220 2.659 199 1HG2 THR 87 HG23 THR 87 7.247 0.120 1.995 200 2HG2 THR 87 HG22 THR 87 6.403 -0.362 0.523 201 3HG2 THR 87 HG21 THR 87 6.508 1.343 0.961 202 H ILE 88 HN ILE 88 4.324 2.820 3.310 203 HA ILE 88 HA ILE 88 6.627 4.440 2.959 204 HB ILE 88 HB ILE 88 3.893 5.108 4.082 205 1HG1 ILE 88 HG12 ILE 88 5.094 5.779 1.386 206 2HG1 ILE 88 HG11 ILE 88 4.172 4.302 1.670 207 1HG2 ILE 88 HG21 ILE 88 6.350 6.742 3.723 208 2HG2 ILE 88 HG23 ILE 88 4.844 7.465 3.155 209 3HG2 ILE 88 HG22 ILE 88 5.003 6.965 4.839 210 1HD1 ILE 88 HD11 ILE 88 3.162 7.122 2.149 211 2HD1 ILE 88 HD13 ILE 88 2.722 6.096 0.783 212 3HD1 ILE 88 HD12 ILE 88 2.244 5.640 2.419 213 H LEU 89 HN LEU 89 4.773 3.713 5.915 214 HA LEU 89 HA LEU 89 6.314 5.266 7.703 215 1HB LEU 89 HB2 LEU 89 4.615 4.514 8.982 216 2HB LEU 89 HB1 LEU 89 4.277 3.204 7.857 217 HG LEU 89 HG LEU 89 6.142 1.898 8.909 218 1HD1 LEU 89 HD11 LEU 89 7.104 4.178 9.848 219 2HD1 LEU 89 HD13 LEU 89 6.048 3.816 11.214 220 3HD1 LEU 89 HD12 LEU 89 7.319 2.682 10.758 221 1HD2 LEU 89 HD23 LEU 89 3.594 2.677 10.149 222 2HD2 LEU 89 HD22 LEU 89 4.277 1.069 9.906 223 3HD2 LEU 89 HD21 LEU 89 4.762 2.031 11.302 224 H LEU 90 HN LEU 90 6.739 1.853 6.722 225 HA LEU 90 HA LEU 90 9.001 1.292 8.345 226 1HB LEU 90 HB2 LEU 90 8.019 0.227 5.708 227 2HB LEU 90 HB1 LEU 90 9.605 -0.261 6.304 228 HG LEU 90 HG LEU 90 8.288 -0.700 8.551 229 1HD1 LEU 90 HD11 LEU 90 6.138 -0.865 6.419 230 2HD1 LEU 90 HD13 LEU 90 5.984 -1.545 8.039 231 3HD1 LEU 90 HD12 LEU 90 6.148 0.198 7.826 232 1HD2 LEU 90 HD22 LEU 90 8.223 -2.461 6.084 233 2HD2 LEU 90 HD21 LEU 90 9.425 -2.471 7.373 234 3HD2 LEU 90 HD23 LEU 90 7.785 -3.034 7.694 235 H ILE 91 HN ILE 91 8.860 2.619 5.029 236 HA ILE 91 HA ILE 91 11.654 2.869 4.616 237 HB ILE 91 HB ILE 91 9.375 4.611 3.630 238 1HG1 ILE 91 HG12 ILE 91 10.928 2.371 2.294 239 2HG1 ILE 91 HG11 ILE 91 9.312 2.202 2.980 240 1HG2 ILE 91 HG23 ILE 91 12.123 5.162 3.557 241 2HG2 ILE 91 HG22 ILE 91 11.756 4.504 1.962 242 3HG2 ILE 91 HG21 ILE 91 10.876 5.911 2.559 243 1HD1 ILE 91 HD13 ILE 91 9.092 4.446 1.353 244 2HD1 ILE 91 HD12 ILE 91 10.128 3.362 0.424 245 3HD1 ILE 91 HD11 ILE 91 8.535 2.822 0.950 246 H SER 92 HN SER 92 9.363 5.230 6.042 247 HA SER 92 HA SER 92 11.267 7.279 6.502 248 1HB SER 92 HB2 SER 92 8.643 6.522 7.685 249 2HB SER 92 HB1 SER 92 9.655 7.596 8.643 250 HG SER 92 HG SER 92 8.120 8.403 6.835 251 H TYR 93 HN TYR 93 10.291 4.561 8.626 252 HA TYR 93 HA TYR 93 12.054 5.187 10.763 253 1HB TYR 93 HB2 TYR 93 10.266 3.421 10.815 254 2HB TYR 93 HB1 TYR 93 11.305 2.406 9.813 255 HD1 TYR 93 HD1 TYR 93 11.098 4.180 13.081 256 HD2 TYR 93 HD2 TYR 93 13.127 1.195 10.751 257 HE1 TYR 93 HE1 TYR 93 12.323 3.432 15.104 258 HE2 TYR 93 HE2 TYR 93 14.350 0.446 12.774 259 HH TYR 93 HH TYR 93 14.566 2.233 15.554 260 H GLY 94 HN GLY 94 12.603 3.101 7.894 261 1HA GLY 94 HA2 GLY 94 15.265 2.353 8.503 262 2HA GLY 94 HA1 GLY 94 14.605 2.442 6.873 263 H ILE 95 HN ILE 95 14.113 5.141 6.561 264 HA ILE 95 HA ILE 95 16.695 6.156 5.958 265 HB ILE 95 HB ILE 95 14.812 7.089 4.798 266 1HG1 ILE 95 HG12 ILE 95 15.152 9.584 6.091 267 2HG1 ILE 95 HG11 ILE 95 16.675 8.715 6.283 268 1HG2 ILE 95 HG21 ILE 95 13.850 8.033 7.512 269 2HG2 ILE 95 HG23 ILE 95 13.106 8.448 5.969 270 3HG2 ILE 95 HG22 ILE 95 13.107 6.775 6.524 271 1HD1 ILE 95 HD12 ILE 95 15.220 9.038 3.643 272 2HD1 ILE 95 HD11 ILE 95 16.566 10.051 4.166 273 3HD1 ILE 95 HD13 ILE 95 16.816 8.328 3.888 274 H ARG 96 HN ARG 96 14.575 6.874 8.737 275 HA ARG 96 HA ARG 96 16.262 8.758 10.004 276 1HB ARG 96 HB2 ARG 96 14.595 6.693 11.455 277 2HB ARG 96 HB1 ARG 96 15.028 8.312 12.008 278 1HG ARG 96 HG2 ARG 96 13.767 8.590 9.468 279 2HG ARG 96 HG1 ARG 96 12.760 7.520 10.445 280 1HD ARG 96 HD2 ARG 96 13.755 9.756 12.016 281 2HD ARG 96 HD1 ARG 96 12.854 10.313 10.606 282 HE ARG 96 HE ARG 96 11.244 8.326 11.672 283 1HH1 ARG 96 HH21 ARG 96 11.665 11.596 11.967 284 2HH1 ARG 96 HH22 ARG 96 10.946 11.749 13.534 285 1HH2 ARG 96 HH11 ARG 96 10.787 8.329 14.089 286 2HH2 ARG 96 HH12 ARG 96 10.451 9.900 14.737 287 H ARG 97 HN ARG 97 16.165 5.206 10.371 288 HA ARG 97 HA ARG 97 18.223 4.993 12.298 289 1HB ARG 97 HB2 ARG 97 16.679 3.148 11.420 290 2HB ARG 97 HB1 ARG 97 17.802 3.001 10.067 291 1HG ARG 97 HG2 ARG 97 19.350 3.078 12.460 292 2HG ARG 97 HG1 ARG 97 18.052 1.910 12.705 293 1HD ARG 97 HD2 ARG 97 18.907 1.392 10.108 294 2HD ARG 97 HD1 ARG 97 20.403 1.729 10.979 295 HE ARG 97 HE ARG 97 19.041 -0.009 12.651 296 1HH1 ARG 97 HH21 ARG 97 21.375 -0.274 10.411 297 2HH1 ARG 97 HH22 ARG 97 20.960 -1.851 9.830 298 1HH2 ARG 97 HH11 ARG 97 17.891 -1.928 11.446 299 2HH2 ARG 97 HH12 ARG 97 18.986 -2.789 10.416 300 H LEU 98 HN LEU 98 18.478 4.936 8.730 301 HA LEU 98 HA LEU 98 21.280 4.555 8.593 302 1HB LEU 98 HB2 LEU 98 20.595 4.467 6.436 303 2HB LEU 98 HB1 LEU 98 19.128 5.369 6.798 304 HG LEU 98 HG LEU 98 20.448 7.480 6.706 305 1HD1 LEU 98 HD13 LEU 98 22.626 5.950 7.105 306 2HD1 LEU 98 HD12 LEU 98 22.685 6.061 5.346 307 3HD1 LEU 98 HD11 LEU 98 22.714 7.528 6.324 308 1HD2 LEU 98 HD23 LEU 98 19.623 5.811 4.574 309 2HD2 LEU 98 HD22 LEU 98 19.843 7.560 4.534 310 3HD2 LEU 98 HD21 LEU 98 21.175 6.492 4.091 311 H ILE 99 HN ILE 99 19.392 7.573 8.754 312 HA ILE 99 HA ILE 99 21.733 9.276 8.828 313 HB ILE 99 HB ILE 99 20.106 11.034 9.500 314 1HG1 ILE 99 HG12 ILE 99 18.128 8.733 9.487 315 2HG1 ILE 99 HG11 ILE 99 18.711 9.547 10.939 316 1HG2 ILE 99 HG22 ILE 99 19.913 9.309 7.143 317 2HG2 ILE 99 HG21 ILE 99 18.402 10.150 7.488 318 3HG2 ILE 99 HG23 ILE 99 19.887 11.069 7.246 319 1HD1 ILE 99 HD13 ILE 99 17.900 11.668 9.383 320 2HD1 ILE 99 HD12 ILE 99 16.711 10.432 8.969 321 3HD1 ILE 99 HD11 ILE 99 16.926 10.921 10.650 322 H LYS 100 HN LYS 100 19.649 7.780 11.271 323 HA LYS 100 HA LYS 100 21.268 9.034 13.425 324 1HB LYS 100 HB2 LYS 100 18.603 8.656 13.316 325 2HB LYS 100 HB1 LYS 100 19.069 7.129 14.067 326 1HG LYS 100 HG2 LYS 100 20.491 9.388 15.238 327 2HG LYS 100 HG1 LYS 100 18.742 9.572 15.377 328 1HD LYS 100 HD2 LYS 100 20.213 7.036 16.139 329 2HD LYS 100 HD1 LYS 100 19.816 8.311 17.290 330 1HE LYS 100 HE2 LYS 100 17.394 7.982 16.137 331 2HE LYS 100 HE1 LYS 100 18.034 6.348 15.948 332 1HZ LYS 100 HZ2 LYS 100 18.477 7.554 18.542 333 2HZ LYS 100 HZ1 LYS 100 16.850 7.245 18.169 334 3HZ LYS 100 HZ3 LYS 100 17.979 5.980 18.145 335 H LYS 101 HN LYS 101 23.020 7.510 12.328 336 HA LYS 101 HA LYS 101 24.344 5.571 12.487 337 1HB LYS 101 HB2 LYS 101 23.378 6.276 15.161 338 2HB LYS 101 HB1 LYS 101 23.779 4.565 15.011 339 1HG LYS 101 HG2 LYS 101 26.003 4.976 14.771 340 2HG LYS 101 HG1 LYS 101 25.728 6.396 13.760 341 1HD LYS 101 HD2 LYS 101 26.336 7.612 15.569 342 2HD LYS 101 HD1 LYS 101 24.755 7.194 16.229 343 1HE LYS 101 HE2 LYS 101 25.866 6.186 17.918 344 2HE LYS 101 HE1 LYS 101 26.307 4.940 16.750 345 1HZ LYS 101 HZ2 LYS 101 27.855 7.429 17.210 346 2HZ LYS 101 HZ1 LYS 101 28.229 5.925 17.908 347 3HZ LYS 101 HZ3 LYS 101 28.301 6.120 16.225 348 1H VAL 62 HT2 VAL 62 -4.098 -13.280 14.593 349 2H VAL 62 HT1 VAL 62 -2.657 -13.277 13.694 350 3H VAL 62 HT3 VAL 62 -2.596 -13.256 15.388 351 HA VAL 62 HA VAL 62 -2.254 -11.059 15.035 352 HB VAL 62 HB VAL 62 -3.125 -9.861 13.075 353 1HG1 VAL 62 HG11 VAL 62 -1.110 -11.613 13.050 354 2HG1 VAL 62 HG13 VAL 62 -2.167 -12.439 11.905 355 3HG1 VAL 62 HG12 VAL 62 -1.631 -10.792 11.578 356 1HG2 VAL 62 HG22 VAL 62 -4.770 -12.333 12.880 357 2HG2 VAL 62 HG21 VAL 62 -5.183 -10.672 12.458 358 3HG2 VAL 62 HG23 VAL 62 -4.207 -11.645 11.357 359 H GLN 63 HN GLN 63 -4.103 -12.175 16.779 360 HA GLN 63 HA GLN 63 -5.863 -9.945 17.259 361 1HB GLN 63 HB2 GLN 63 -7.193 -10.916 15.467 362 2HB GLN 63 HB1 GLN 63 -7.115 -12.506 16.226 363 1HG GLN 63 HG2 GLN 63 -9.270 -11.354 16.693 364 2HG GLN 63 HG1 GLN 63 -8.354 -11.674 18.166 365 1HE2 GLN 63 HE22 GLN 63 -9.157 -7.848 17.098 366 2HE2 GLN 63 HE21 GLN 63 -9.718 -9.161 16.182 367 H LEU 64 HN LEU 64 -6.633 -10.017 19.384 368 HA LEU 64 HA LEU 64 -5.861 -12.459 20.931 369 1HB LEU 64 HB2 LEU 64 -5.345 -9.644 21.352 370 2HB LEU 64 HB1 LEU 64 -6.260 -10.303 22.709 371 HG LEU 64 HG LEU 64 -4.524 -12.296 22.483 372 1HD1 LEU 64 HD11 LEU 64 -3.134 -9.918 21.220 373 2HD1 LEU 64 HD13 LEU 64 -2.269 -11.303 21.887 374 3HD1 LEU 64 HD12 LEU 64 -3.363 -11.520 20.521 375 1HD2 LEU 64 HD21 LEU 64 -4.807 -10.034 24.126 376 2HD2 LEU 64 HD23 LEU 64 -3.853 -11.475 24.478 377 3HD2 LEU 64 HD22 LEU 64 -3.094 -10.082 23.709 378 H ALA 65 HN ALA 65 -8.443 -10.346 20.034 379 HA ALA 65 HA ALA 65 -10.202 -11.515 22.136 380 1HB ALA 65 HB3 ALA 65 -10.104 -8.958 20.721 381 2HB ALA 65 HB2 ALA 65 -11.713 -9.681 20.692 382 3HB ALA 65 HB1 ALA 65 -10.913 -9.370 22.232 383 H HIS 66 HN HIS 66 -9.196 -12.770 19.520 384 HA HIS 66 HA HIS 66 -10.085 -14.148 17.843 385 1HB HIS 66 HB2 HIS 66 -12.277 -14.077 19.909 386 2HB HIS 66 HB1 HIS 66 -12.496 -14.957 18.396 387 HD1 HIS 66 HD1 HIS 66 -12.320 -17.325 19.335 388 HD2 HIS 66 HD2 HIS 66 -9.056 -14.940 20.350 389 HE1 HIS 66 HE1 HIS 66 -10.594 -18.871 20.356 390 H HIS 67 HN HIS 67 -12.111 -14.290 16.297 391 HA HIS 67 HA HIS 67 -13.364 -11.627 15.915 392 1HB HIS 67 HB2 HIS 67 -12.745 -11.733 13.466 393 2HB HIS 67 HB1 HIS 67 -11.380 -11.456 14.549 394 HD1 HIS 67 HD1 HIS 67 -11.987 -13.287 11.670 395 HD2 HIS 67 HD2 HIS 67 -10.473 -14.398 15.391 396 HE1 HIS 67 HE1 HIS 67 -10.707 -15.442 11.307 397 H PHE 68 HN PHE 68 -13.050 -14.928 14.572 398 HA PHE 68 HA PHE 68 -14.680 -16.246 13.474 399 1HB PHE 68 HB2 PHE 68 -16.807 -16.363 14.991 400 2HB PHE 68 HB1 PHE 68 -15.268 -16.928 15.637 401 HD1 PHE 68 HD1 PHE 68 -14.017 -15.598 17.276 402 HD2 PHE 68 HD2 PHE 68 -17.814 -14.281 15.761 403 HE1 PHE 68 HE1 PHE 68 -14.166 -13.928 19.103 404 HE2 PHE 68 HE2 PHE 68 -17.964 -12.611 17.588 405 HZ PHE 68 HZ PHE 68 -16.140 -12.435 19.260 406 H SER 69 HN SER 69 -14.625 -13.927 12.092 407 HA SER 69 HA SER 69 -17.511 -13.185 11.807 408 1HB SER 69 HB2 SER 69 -16.798 -11.010 11.010 409 2HB SER 69 HB1 SER 69 -15.987 -11.325 12.542 410 HG SER 69 HG SER 69 -14.312 -10.806 11.324 411 H GLU 70 HN GLU 70 -17.078 -11.821 9.310 412 HA GLU 70 HA GLU 70 -17.091 -14.146 7.528 413 1HB GLU 70 HB2 GLU 70 -17.991 -11.377 7.450 414 2HB GLU 70 HB1 GLU 70 -17.150 -11.821 5.965 415 1HG GLU 70 HG2 GLU 70 -18.770 -13.302 5.338 416 2HG GLU 70 HG1 GLU 70 -19.044 -13.850 6.993 417 HA PRO 71 HA PRO 71 -13.081 -13.938 5.784 418 1HB PRO 71 HB2 PRO 71 -13.760 -13.341 3.063 419 2HB PRO 71 HB1 PRO 71 -13.410 -14.924 3.770 420 1HG PRO 71 HG2 PRO 71 -15.969 -13.903 2.907 421 2HG PRO 71 HG1 PRO 71 -15.610 -15.491 3.600 422 1HD PRO 71 HD2 PRO 71 -16.972 -13.281 4.855 423 2HD PRO 71 HD1 PRO 71 -16.621 -14.878 5.544 424 H GLU 72 HN GLU 72 -15.061 -11.197 5.728 425 HA GLU 72 HA GLU 72 -13.968 -9.217 4.220 426 1HB GLU 72 HB2 GLU 72 -14.509 -9.047 7.199 427 2HB GLU 72 HB1 GLU 72 -14.320 -7.657 6.130 428 1HG GLU 72 HG2 GLU 72 -16.367 -9.827 5.628 429 2HG GLU 72 HG1 GLU 72 -16.725 -8.383 6.576 430 H ILE 73 HN ILE 73 -12.530 -10.153 7.382 431 HA ILE 73 HA ILE 73 -10.219 -8.560 7.188 432 HB ILE 73 HB ILE 73 -11.035 -9.976 9.169 433 1HG1 ILE 73 HG12 ILE 73 -8.585 -10.481 9.827 434 2HG1 ILE 73 HG11 ILE 73 -8.173 -9.787 8.260 435 1HG2 ILE 73 HG22 ILE 73 -11.159 -12.113 7.892 436 2HG2 ILE 73 HG21 ILE 73 -9.405 -12.081 7.713 437 3HG2 ILE 73 HG23 ILE 73 -10.125 -12.244 9.314 438 1HD1 ILE 73 HD13 ILE 73 -10.093 -8.110 9.620 439 2HD1 ILE 73 HD12 ILE 73 -8.687 -8.385 10.649 440 3HD1 ILE 73 HD11 ILE 73 -8.481 -7.698 9.037 441 H THR 74 HN THR 74 -10.754 -11.898 6.038 442 HA THR 74 HA THR 74 -8.197 -12.466 5.042 443 HB THR 74 HB THR 74 -10.677 -13.160 3.473 444 HG1 THR 74 HG1 THR 74 -10.556 -15.014 5.102 445 1HG2 THR 74 HG23 THR 74 -8.054 -13.845 3.158 446 2HG2 THR 74 HG22 THR 74 -8.627 -15.164 4.180 447 3HG2 THR 74 HG21 THR 74 -9.407 -14.847 2.630 448 H LEU 75 HN LEU 75 -10.845 -10.733 3.402 449 HA LEU 75 HA LEU 75 -9.311 -10.199 1.015 450 1HB LEU 75 HB2 LEU 75 -11.896 -9.230 2.154 451 2HB LEU 75 HB1 LEU 75 -11.119 -8.209 0.951 452 HG LEU 75 HG LEU 75 -11.957 -11.101 0.632 453 1HD1 LEU 75 HD13 LEU 75 -12.849 -8.439 -0.448 454 2HD1 LEU 75 HD12 LEU 75 -13.092 -9.899 -1.408 455 3HD1 LEU 75 HD11 LEU 75 -13.825 -9.763 0.191 456 1HD2 LEU 75 HD23 LEU 75 -10.057 -9.384 -0.928 457 2HD2 LEU 75 HD22 LEU 75 -9.985 -11.115 -0.601 458 3HD2 LEU 75 HD21 LEU 75 -11.105 -10.492 -1.812 459 H ILE 76 HN ILE 76 -10.038 -8.216 3.910 460 HA ILE 76 HA ILE 76 -8.680 -5.883 3.063 461 HB ILE 76 HB ILE 76 -8.990 -7.087 5.828 462 1HG1 ILE 76 HG12 ILE 76 -10.373 -4.682 4.632 463 2HG1 ILE 76 HG11 ILE 76 -11.033 -6.314 4.494 464 1HG2 ILE 76 HG22 ILE 76 -7.370 -4.855 4.916 465 2HG2 ILE 76 HG21 ILE 76 -8.618 -4.315 6.039 466 3HG2 ILE 76 HG23 ILE 76 -7.477 -5.569 6.526 467 1HD1 ILE 76 HD11 ILE 76 -10.250 -5.939 7.208 468 2HD1 ILE 76 HD13 ILE 76 -11.188 -4.525 6.733 469 3HD1 ILE 76 HD12 ILE 76 -11.880 -6.139 6.574 470 H ILE 77 HN ILE 77 -7.381 -8.696 4.894 471 HA ILE 77 HA ILE 77 -4.711 -7.725 5.038 472 HB ILE 77 HB ILE 77 -4.041 -10.104 5.316 473 1HG1 ILE 77 HG12 ILE 77 -6.967 -10.654 4.739 474 2HG1 ILE 77 HG11 ILE 77 -5.624 -11.079 3.680 475 1HG2 ILE 77 HG21 ILE 77 -4.975 -8.780 7.204 476 2HG2 ILE 77 HG23 ILE 77 -6.585 -9.376 6.798 477 3HG2 ILE 77 HG22 ILE 77 -5.341 -10.499 7.348 478 1HD1 ILE 77 HD12 ILE 77 -4.911 -12.092 6.197 479 2HD1 ILE 77 HD11 ILE 77 -6.620 -12.483 6.013 480 3HD1 ILE 77 HD13 ILE 77 -5.457 -13.023 4.802 481 H PHE 78 HN PHE 78 -6.266 -9.783 2.559 482 HA PHE 78 HA PHE 78 -3.985 -10.085 0.891 483 1HB PHE 78 HB2 PHE 78 -6.911 -10.350 0.538 484 2HB PHE 78 HB1 PHE 78 -6.017 -9.985 -0.935 485 HD1 PHE 78 HD1 PHE 78 -5.476 -12.102 2.123 486 HD2 PHE 78 HD2 PHE 78 -5.368 -11.846 -2.163 487 HE1 PHE 78 HE1 PHE 78 -4.701 -14.455 2.004 488 HE2 PHE 78 HE2 PHE 78 -4.593 -14.201 -2.283 489 HZ PHE 78 HZ PHE 78 -4.259 -15.503 -0.200 490 H GLY 79 HN GLY 79 -6.522 -7.578 0.840 491 1HA GLY 79 HA2 GLY 79 -5.524 -6.080 -1.343 492 2HA GLY 79 HA1 GLY 79 -6.464 -5.400 -0.014 493 H VAL 80 HN VAL 80 -4.787 -5.801 2.137 494 HA VAL 80 HA VAL 80 -2.997 -3.616 1.963 495 HB VAL 80 HB VAL 80 -2.771 -5.983 3.846 496 1HG1 VAL 80 HG13 VAL 80 -0.899 -4.203 3.658 497 2HG1 VAL 80 HG12 VAL 80 -2.066 -3.097 4.383 498 3HG1 VAL 80 HG11 VAL 80 -1.549 -4.534 5.264 499 1HG2 VAL 80 HG21 VAL 80 -5.040 -4.581 3.544 500 2HG2 VAL 80 HG23 VAL 80 -4.477 -5.101 5.131 501 3HG2 VAL 80 HG22 VAL 80 -4.178 -3.451 4.587 502 H MET 81 HN MET 81 -2.296 -7.128 1.727 503 HA MET 81 HA MET 81 0.510 -6.888 1.354 504 1HB MET 81 HB2 MET 81 -1.394 -8.911 0.128 505 2HB MET 81 HB1 MET 81 0.359 -9.085 0.213 506 1HG MET 81 HG2 MET 81 -1.207 -8.556 2.724 507 2HG MET 81 HG1 MET 81 -1.131 -10.192 2.069 508 1HE MET 81 HE1 MET 81 1.084 -10.975 0.979 509 2HE MET 81 HE3 MET 81 2.491 -11.164 2.036 510 3HE MET 81 HE2 MET 81 0.929 -11.820 2.517 511 H ALA 82 HN ALA 82 -2.132 -6.907 -1.041 512 HA ALA 82 HA ALA 82 -0.523 -6.588 -3.352 513 1HB ALA 82 HB3 ALA 82 -3.359 -6.313 -2.692 514 2HB ALA 82 HB2 ALA 82 -2.841 -5.134 -3.903 515 3HB ALA 82 HB1 ALA 82 -2.600 -6.857 -4.187 516 H GLY 83 HN GLY 83 -1.957 -4.098 -1.202 517 1HA GLY 83 HA2 GLY 83 -1.068 -1.828 -2.633 518 2HA GLY 83 HA1 GLY 83 -1.328 -1.867 -0.887 519 H VAL 84 HN VAL 84 0.602 -3.681 -0.057 520 HA VAL 84 HA VAL 84 2.948 -2.094 0.052 521 HB VAL 84 HB VAL 84 2.561 -5.074 0.442 522 1HG1 VAL 84 HG11 VAL 84 4.991 -3.316 0.726 523 2HG1 VAL 84 HG13 VAL 84 4.790 -4.732 1.757 524 3HG1 VAL 84 HG12 VAL 84 4.865 -4.921 0.005 525 1HG2 VAL 84 HG21 VAL 84 1.519 -3.194 1.963 526 2HG2 VAL 84 HG23 VAL 84 2.316 -4.577 2.713 527 3HG2 VAL 84 HG22 VAL 84 3.167 -3.038 2.571 528 H ILE 85 HN ILE 85 2.235 -4.929 -2.027 529 HA ILE 85 HA ILE 85 4.711 -4.981 -3.407 530 HB ILE 85 HB ILE 85 1.926 -5.657 -4.403 531 1HG1 ILE 85 HG12 ILE 85 4.129 -7.528 -3.509 532 2HG1 ILE 85 HG11 ILE 85 2.935 -6.885 -2.379 533 1HG2 ILE 85 HG21 ILE 85 3.807 -5.204 -6.138 534 2HG2 ILE 85 HG23 ILE 85 4.522 -6.698 -5.531 535 3HG2 ILE 85 HG22 ILE 85 2.916 -6.722 -6.260 536 1HD1 ILE 85 HD12 ILE 85 1.517 -7.807 -4.667 537 2HD1 ILE 85 HD11 ILE 85 2.654 -9.075 -4.210 538 3HD1 ILE 85 HD13 ILE 85 1.485 -8.473 -3.034 539 H GLY 86 HN GLY 86 1.708 -3.204 -4.201 540 1HA GLY 86 HA2 GLY 86 2.613 -1.974 -6.581 541 2HA GLY 86 HA1 GLY 86 1.394 -1.286 -5.508 542 H THR 87 HN THR 87 2.855 -0.821 -3.204 543 HA THR 87 HA THR 87 4.140 1.641 -3.750 544 HB THR 87 HB THR 87 4.771 -0.130 -1.377 545 HG1 THR 87 HG1 THR 87 2.565 -0.053 -1.517 546 1HG2 THR 87 HG23 THR 87 4.868 2.816 -1.979 547 2HG2 THR 87 HG22 THR 87 4.709 2.248 -0.318 548 3HG2 THR 87 HG21 THR 87 6.117 1.789 -1.276 549 H ILE 88 HN ILE 88 5.565 -1.583 -3.151 550 HA ILE 88 HA ILE 88 8.288 -0.829 -3.392 551 HB ILE 88 HB ILE 88 6.993 -3.422 -4.290 552 1HG1 ILE 88 HG12 ILE 88 8.149 -2.572 -1.613 553 2HG1 ILE 88 HG11 ILE 88 6.448 -2.894 -1.956 554 1HG2 ILE 88 HG22 ILE 88 9.841 -2.630 -3.633 555 2HG2 ILE 88 HG21 ILE 88 9.307 -4.309 -3.694 556 3HG2 ILE 88 HG23 ILE 88 9.232 -3.306 -5.144 557 1HD1 ILE 88 HD13 ILE 88 7.778 -5.176 -2.867 558 2HD1 ILE 88 HD12 ILE 88 8.591 -4.772 -1.354 559 3HD1 ILE 88 HD11 ILE 88 6.848 -5.036 -1.375 560 H LEU 89 HN LEU 89 5.985 -1.905 -5.897 561 HA LEU 89 HA LEU 89 7.766 -1.767 -8.092 562 1HB LEU 89 HB2 LEU 89 5.936 -2.288 -9.330 563 2HB LEU 89 HB1 LEU 89 5.124 -2.442 -7.779 564 HG LEU 89 HG LEU 89 4.559 0.053 -7.998 565 1HD1 LEU 89 HD12 LEU 89 6.287 -0.113 -10.160 566 2HD1 LEU 89 HD11 LEU 89 4.696 -0.137 -10.920 567 3HD1 LEU 89 HD13 LEU 89 5.149 1.200 -9.864 568 1HD2 LEU 89 HD21 LEU 89 3.314 -2.272 -8.967 569 2HD2 LEU 89 HD23 LEU 89 2.543 -0.718 -8.651 570 3HD2 LEU 89 HD22 LEU 89 3.153 -1.088 -10.263 571 H LEU 90 HN LEU 90 5.660 0.772 -6.716 572 HA LEU 90 HA LEU 90 6.307 2.826 -8.570 573 1HB LEU 90 HB2 LEU 90 4.538 3.126 -6.908 574 2HB LEU 90 HB1 LEU 90 5.717 3.036 -5.598 575 HG LEU 90 HG LEU 90 6.783 5.077 -6.320 576 1HD1 LEU 90 HD11 LEU 90 4.954 4.804 -8.714 577 2HD1 LEU 90 HD13 LEU 90 5.763 6.317 -8.309 578 3HD1 LEU 90 HD12 LEU 90 6.716 4.886 -8.699 579 1HD2 LEU 90 HD21 LEU 90 3.925 4.945 -5.744 580 2HD2 LEU 90 HD23 LEU 90 5.139 6.057 -5.115 581 3HD2 LEU 90 HD22 LEU 90 4.343 6.399 -6.651 582 H ILE 91 HN ILE 91 7.927 1.927 -5.507 583 HA ILE 91 HA ILE 91 9.970 3.901 -5.596 584 HB ILE 91 HB ILE 91 10.027 1.060 -4.531 585 1HG1 ILE 91 HG12 ILE 91 9.799 3.698 -3.057 586 2HG1 ILE 91 HG11 ILE 91 8.399 2.740 -3.541 587 1HG2 ILE 91 HG23 ILE 91 12.056 3.268 -4.513 588 2HG2 ILE 91 HG22 ILE 91 11.929 2.217 -3.102 589 3HG2 ILE 91 HG21 ILE 91 12.300 1.530 -4.683 590 1HD1 ILE 91 HD13 ILE 91 10.116 0.902 -2.313 591 2HD1 ILE 91 HD12 ILE 91 10.208 2.342 -1.298 592 3HD1 ILE 91 HD11 ILE 91 8.647 1.587 -1.620 593 H SER 92 HN SER 92 9.914 0.599 -6.973 594 HA SER 92 HA SER 92 12.508 0.678 -8.122 595 1HB SER 92 HB2 SER 92 10.898 -0.709 -9.952 596 2HB SER 92 HB1 SER 92 11.791 -1.410 -8.605 597 HG SER 92 HG SER 92 9.639 -1.947 -8.372 598 H TYR 93 HN TYR 93 9.350 1.674 -9.476 599 HA TYR 93 HA TYR 93 10.319 2.579 -11.987 600 1HB TYR 93 HB2 TYR 93 7.863 2.480 -10.831 601 2HB TYR 93 HB1 TYR 93 8.193 4.208 -10.711 602 HD1 TYR 93 HD1 TYR 93 9.217 1.708 -13.299 603 HD2 TYR 93 HD2 TYR 93 6.956 5.251 -12.414 604 HE1 TYR 93 HE1 TYR 93 8.694 1.977 -15.708 605 HE2 TYR 93 HE2 TYR 93 6.434 5.521 -14.823 606 HH TYR 93 HH TYR 93 7.226 3.042 -17.162 607 H GLY 94 HN GLY 94 9.937 4.373 -8.909 608 1HA GLY 94 HA2 GLY 94 10.885 6.877 -9.826 609 2HA GLY 94 HA1 GLY 94 11.009 6.316 -8.158 610 H ILE 95 HN ILE 95 12.695 4.147 -8.393 611 HA ILE 95 HA ILE 95 15.257 5.367 -8.499 612 HB ILE 95 HB ILE 95 14.369 2.940 -7.623 613 1HG1 ILE 95 HG12 ILE 95 17.212 2.785 -8.106 614 2HG1 ILE 95 HG11 ILE 95 16.761 4.431 -7.659 615 1HG2 ILE 95 HG21 ILE 95 14.360 2.049 -9.975 616 2HG2 ILE 95 HG23 ILE 95 16.099 2.321 -10.034 617 3HG2 ILE 95 HG22 ILE 95 15.424 1.164 -8.888 618 1HD1 ILE 95 HD11 ILE 95 15.517 3.519 -5.699 619 2HD1 ILE 95 HD13 ILE 95 16.090 1.905 -6.121 620 3HD1 ILE 95 HD12 ILE 95 17.241 3.151 -5.637 621 H ARG 96 HN ARG 96 13.584 3.399 -10.967 622 HA ARG 96 HA ARG 96 15.627 3.439 -12.931 623 1HB ARG 96 HB2 ARG 96 12.648 3.620 -13.461 624 2HB ARG 96 HB1 ARG 96 13.880 2.968 -14.541 625 1HG ARG 96 HG2 ARG 96 14.193 1.589 -12.098 626 2HG ARG 96 HG1 ARG 96 12.457 1.636 -12.409 627 1HD ARG 96 HD2 ARG 96 14.469 0.832 -14.520 628 2HD ARG 96 HD1 ARG 96 13.706 -0.335 -13.439 629 HE ARG 96 HE ARG 96 11.569 1.060 -14.513 630 1HH1 ARG 96 HH11 ARG 96 13.500 1.389 -16.858 631 2HH1 ARG 96 HH12 ARG 96 13.076 0.021 -17.831 632 1HH2 ARG 96 HH21 ARG 96 11.353 -1.588 -15.287 633 2HH2 ARG 96 HH22 ARG 96 11.859 -1.665 -16.941 634 H ARG 97 HN ARG 97 12.962 5.739 -12.368 635 HA ARG 97 HA ARG 97 13.554 7.519 -14.485 636 1HB ARG 97 HB2 ARG 97 11.533 7.539 -12.904 637 2HB ARG 97 HB1 ARG 97 12.566 8.407 -11.770 638 1HG ARG 97 HG2 ARG 97 13.041 10.035 -13.699 639 2HG ARG 97 HG1 ARG 97 11.678 9.277 -14.523 640 1HD ARG 97 HD2 ARG 97 11.211 10.087 -11.705 641 2HD ARG 97 HD1 ARG 97 11.390 11.399 -12.871 642 HE ARG 97 HE ARG 97 9.596 9.690 -14.095 643 1HH1 ARG 97 HH11 ARG 97 8.173 8.623 -12.055 644 2HH1 ARG 97 HH12 ARG 97 7.200 9.879 -11.367 645 1HH2 ARG 97 HH21 ARG 97 9.057 12.450 -12.768 646 2HH2 ARG 97 HH22 ARG 97 7.700 12.046 -11.771 647 H LEU 98 HN LEU 98 14.760 7.542 -11.115 648 HA LEU 98 HA LEU 98 16.344 9.879 -11.316 649 1HB LEU 98 HB2 LEU 98 15.962 7.820 -9.425 650 2HB LEU 98 HB1 LEU 98 17.695 7.851 -9.753 651 HG LEU 98 HG LEU 98 16.038 10.296 -9.074 652 1HD1 LEU 98 HD12 LEU 98 16.313 8.570 -7.220 653 2HD1 LEU 98 HD11 LEU 98 18.049 8.868 -7.319 654 3HD1 LEU 98 HD13 LEU 98 16.954 10.174 -6.864 655 1HD2 LEU 98 HD23 LEU 98 18.487 10.090 -10.362 656 2HD2 LEU 98 HD22 LEU 98 17.909 11.511 -9.491 657 3HD2 LEU 98 HD21 LEU 98 18.946 10.339 -8.677 658 H ILE 99 HN ILE 99 17.221 6.483 -12.004 659 HA ILE 99 HA ILE 99 19.896 7.155 -12.889 660 HB ILE 99 HB ILE 99 19.915 4.840 -13.778 661 1HG1 ILE 99 HG12 ILE 99 17.048 4.682 -12.819 662 2HG1 ILE 99 HG11 ILE 99 17.469 4.976 -14.506 663 1HG2 ILE 99 HG21 ILE 99 18.754 5.311 -11.025 664 2HG2 ILE 99 HG23 ILE 99 19.259 3.712 -11.571 665 3HG2 ILE 99 HG22 ILE 99 20.438 5.018 -11.456 666 1HD1 ILE 99 HD13 ILE 99 18.784 2.675 -13.120 667 2HD1 ILE 99 HD12 ILE 99 17.094 2.497 -13.590 668 3HD1 ILE 99 HD11 ILE 99 18.318 2.846 -14.812 669 H LYS 100 HN LYS 100 16.759 7.248 -14.340 670 HA LYS 100 HA LYS 100 18.021 7.691 -17.016 671 1HB LYS 100 HB2 LYS 100 16.050 5.870 -16.351 672 2HB LYS 100 HB1 LYS 100 15.120 7.234 -16.976 673 1HG LYS 100 HG2 LYS 100 17.538 6.496 -18.532 674 2HG LYS 100 HG1 LYS 100 16.210 5.335 -18.573 675 1HD LYS 100 HD2 LYS 100 15.085 7.943 -18.852 676 2HD LYS 100 HD1 LYS 100 16.434 7.816 -19.983 677 1HE LYS 100 HE2 LYS 100 14.764 6.875 -21.274 678 2HE LYS 100 HE1 LYS 100 15.349 5.428 -20.452 679 1HZ LYS 100 HZ3 LYS 100 13.264 7.027 -19.155 680 2HZ LYS 100 HZ2 LYS 100 12.822 6.037 -20.464 681 3HZ LYS 100 HZ1 LYS 100 13.544 5.356 -19.084 682 H LYS 101 HN LYS 101 18.375 9.950 -16.283 683 HA LYS 101 HA LYS 101 16.318 11.713 -17.209 684 1HB LYS 101 HB2 LYS 101 15.269 11.075 -15.042 685 2HB LYS 101 HB1 LYS 101 16.701 11.669 -14.198 686 1HG LYS 101 HG2 LYS 101 16.298 13.897 -15.400 687 2HG LYS 101 HG1 LYS 101 14.711 13.256 -15.829 688 1HD LYS 101 HD2 LYS 101 14.493 12.732 -13.287 689 2HD LYS 101 HD1 LYS 101 15.811 13.889 -13.098 690 1HE LYS 101 HE2 LYS 101 13.888 15.007 -14.900 691 2HE LYS 101 HE1 LYS 101 13.037 14.440 -13.464 692 1HZ LYS 101 HZ3 LYS 101 15.537 15.939 -13.132 693 2HZ LYS 101 HZ2 LYS 101 14.119 16.793 -13.516 694 3HZ LYS 101 HZ1 LYS 101 14.191 15.849 -12.105 No H/Q in entry = 694 Start of MODEL 20 1 1H VAL 62 HT1 VAL 62 -17.168 5.395 11.775 2 2H VAL 62 HT3 VAL 62 -15.543 5.842 11.578 3 3H VAL 62 HT2 VAL 62 -16.626 5.985 10.277 4 HA VAL 62 HA VAL 62 -16.881 3.605 10.156 5 HB VAL 62 HB VAL 62 -15.003 4.752 8.948 6 1HG1 VAL 62 HG11 VAL 62 -13.553 3.974 11.485 7 2HG1 VAL 62 HG13 VAL 62 -12.700 4.296 9.976 8 3HG1 VAL 62 HG12 VAL 62 -13.654 5.569 10.737 9 1HG2 VAL 62 HG22 VAL 62 -15.167 1.939 9.739 10 2HG2 VAL 62 HG21 VAL 62 -14.869 2.638 8.147 11 3HG2 VAL 62 HG23 VAL 62 -13.532 2.410 9.274 12 H GLN 63 HN GLN 63 -16.423 1.527 11.058 13 HA GLN 63 HA GLN 63 -15.845 -0.008 12.742 14 1HB GLN 63 HB2 GLN 63 -13.687 1.602 12.685 15 2HB GLN 63 HB1 GLN 63 -14.301 2.029 14.278 16 1HG GLN 63 HG2 GLN 63 -13.244 -0.610 13.303 17 2HG GLN 63 HG1 GLN 63 -12.904 0.245 14.806 18 1HE2 GLN 63 HE22 GLN 63 -15.859 -2.489 14.734 19 2HE2 GLN 63 HE21 GLN 63 -14.801 -2.258 13.427 20 H LEU 64 HN LEU 64 -17.862 -0.173 13.681 21 HA LEU 64 HA LEU 64 -18.434 1.709 15.938 22 1HB LEU 64 HB2 LEU 64 -20.124 0.668 13.755 23 2HB LEU 64 HB1 LEU 64 -20.854 0.544 15.355 24 HG LEU 64 HG LEU 64 -21.438 2.697 14.364 25 1HD1 LEU 64 HD12 LEU 64 -20.351 2.325 16.869 26 2HD1 LEU 64 HD11 LEU 64 -19.400 3.674 16.247 27 3HD1 LEU 64 HD13 LEU 64 -21.156 3.798 16.327 28 1HD2 LEU 64 HD22 LEU 64 -18.566 2.655 13.678 29 2HD2 LEU 64 HD21 LEU 64 -19.906 3.454 12.858 30 3HD2 LEU 64 HD23 LEU 64 -19.152 4.211 14.261 31 H ALA 65 HN ALA 65 -19.806 -1.439 14.985 32 HA ALA 65 HA ALA 65 -18.985 -2.464 17.672 33 1HB ALA 65 HB2 ALA 65 -21.454 -3.127 16.038 34 2HB ALA 65 HB1 ALA 65 -21.004 -3.927 17.545 35 3HB ALA 65 HB3 ALA 65 -21.414 -2.211 17.544 36 H HIS 66 HN HIS 66 -17.834 -4.391 17.665 37 HA HIS 66 HA HIS 66 -16.752 -5.373 15.195 38 1HB HIS 66 HB2 HIS 66 -16.687 -6.248 18.057 39 2HB HIS 66 HB1 HIS 66 -16.179 -7.398 16.821 40 HD1 HIS 66 HD1 HIS 66 -14.511 -6.025 14.914 41 HD2 HIS 66 HD2 HIS 66 -14.506 -4.798 18.899 42 HE1 HIS 66 HE1 HIS 66 -12.356 -4.744 15.267 43 H HIS 67 HN HIS 67 -17.842 -6.574 13.722 44 HA HIS 67 HA HIS 67 -19.333 -8.936 14.505 45 1HB HIS 67 HB2 HIS 67 -21.540 -8.253 13.808 46 2HB HIS 67 HB1 HIS 67 -20.971 -7.072 14.987 47 HD1 HIS 67 HD1 HIS 67 -20.403 -4.698 14.133 48 HD2 HIS 67 HD2 HIS 67 -21.703 -7.276 11.126 49 HE1 HIS 67 HE1 HIS 67 -20.864 -3.256 12.102 50 H PHE 68 HN PHE 68 -21.011 -8.820 12.065 51 HA PHE 68 HA PHE 68 -19.218 -10.006 10.215 52 1HB PHE 68 HB2 PHE 68 -21.948 -9.706 10.372 53 2HB PHE 68 HB1 PHE 68 -21.544 -8.674 8.999 54 HD1 PHE 68 HD1 PHE 68 -19.911 -11.813 10.215 55 HD2 PHE 68 HD2 PHE 68 -22.128 -9.894 7.076 56 HE1 PHE 68 HE1 PHE 68 -19.626 -13.821 8.787 57 HE2 PHE 68 HE2 PHE 68 -21.843 -11.901 5.647 58 HZ PHE 68 HZ PHE 68 -20.591 -13.864 6.503 59 H SER 69 HN SER 69 -18.595 -9.143 8.059 60 HA SER 69 HA SER 69 -17.896 -6.251 8.270 61 1HB SER 69 HB2 SER 69 -16.121 -8.131 7.956 62 2HB SER 69 HB1 SER 69 -16.693 -8.179 6.292 63 HG SER 69 HG SER 69 -15.040 -6.431 7.457 64 H GLU 70 HN GLU 70 -20.002 -5.559 7.478 65 HA GLU 70 HA GLU 70 -21.136 -6.463 5.018 66 1HB GLU 70 HB2 GLU 70 -21.603 -4.303 6.924 67 2HB GLU 70 HB1 GLU 70 -21.895 -3.793 5.261 68 1HG GLU 70 HG2 GLU 70 -22.986 -6.416 6.258 69 2HG GLU 70 HG1 GLU 70 -23.849 -4.911 6.580 70 HA PRO 71 HA PRO 71 -18.967 -2.599 3.038 71 1HB PRO 71 HB2 PRO 71 -16.706 -1.960 4.713 72 2HB PRO 71 HB1 PRO 71 -18.075 -0.925 4.287 73 1HG PRO 71 HG2 PRO 71 -17.543 -2.158 6.831 74 2HG PRO 71 HG1 PRO 71 -18.933 -1.158 6.385 75 1HD PRO 71 HD2 PRO 71 -18.875 -4.006 6.837 76 2HD PRO 71 HD1 PRO 71 -20.268 -2.997 6.404 77 H GLU 72 HN GLU 72 -18.507 -4.804 2.025 78 HA GLU 72 HA GLU 72 -16.098 -6.233 2.545 79 1HB GLU 72 HB2 GLU 72 -17.686 -5.983 -0.026 80 2HB GLU 72 HB1 GLU 72 -16.425 -7.182 0.266 81 1HG GLU 72 HG2 GLU 72 -18.021 -8.506 1.149 82 2HG GLU 72 HG1 GLU 72 -18.115 -7.367 2.493 83 H ILE 73 HN ILE 73 -16.428 -4.760 -0.650 84 HA ILE 73 HA ILE 73 -13.694 -4.269 -0.986 85 HB ILE 73 HB ILE 73 -14.232 -3.034 -2.881 86 1HG1 ILE 73 HG12 ILE 73 -16.585 -1.988 -1.289 87 2HG1 ILE 73 HG11 ILE 73 -15.170 -1.089 -1.843 88 1HG2 ILE 73 HG23 ILE 73 -15.674 -5.238 -2.519 89 2HG2 ILE 73 HG22 ILE 73 -17.010 -4.087 -2.546 90 3HG2 ILE 73 HG21 ILE 73 -15.923 -4.208 -3.929 91 1HD1 ILE 73 HD13 ILE 73 -16.220 -2.222 -4.172 92 2HD1 ILE 73 HD12 ILE 73 -17.641 -1.702 -3.265 93 3HD1 ILE 73 HD11 ILE 73 -16.380 -0.538 -3.671 94 H THR 74 HN THR 74 -16.093 -2.335 0.725 95 HA THR 74 HA THR 74 -14.675 0.083 1.014 96 HB THR 74 HB THR 74 -15.848 -0.533 3.537 97 HG1 THR 74 HG1 THR 74 -17.637 -1.137 1.462 98 1HG2 THR 74 HG22 THR 74 -15.895 1.482 1.657 99 2HG2 THR 74 HG21 THR 74 -17.538 0.849 1.573 100 3HG2 THR 74 HG23 THR 74 -16.895 1.430 3.109 101 H LEU 75 HN LEU 75 -14.474 -2.891 2.981 102 HA LEU 75 HA LEU 75 -12.262 -1.809 4.561 103 1HB LEU 75 HB2 LEU 75 -14.076 -3.813 5.010 104 2HB LEU 75 HB1 LEU 75 -12.653 -4.738 4.531 105 HG LEU 75 HG LEU 75 -12.913 -2.769 6.810 106 1HD1 LEU 75 HD11 LEU 75 -13.453 -5.323 6.932 107 2HD1 LEU 75 HD13 LEU 75 -11.701 -5.525 6.866 108 3HD1 LEU 75 HD12 LEU 75 -12.434 -4.611 8.184 109 1HD2 LEU 75 HD23 LEU 75 -10.527 -3.577 5.230 110 2HD2 LEU 75 HD22 LEU 75 -10.804 -2.118 6.181 111 3HD2 LEU 75 HD21 LEU 75 -10.346 -3.621 6.983 112 H ILE 76 HN ILE 76 -12.575 -4.308 1.992 113 HA ILE 76 HA ILE 76 -9.823 -4.988 1.914 114 HB ILE 76 HB ILE 76 -11.721 -4.839 -0.452 115 1HG1 ILE 76 HG12 ILE 76 -11.154 -7.237 1.302 116 2HG1 ILE 76 HG11 ILE 76 -12.498 -6.142 1.626 117 1HG2 ILE 76 HG21 ILE 76 -9.301 -5.154 -0.984 118 2HG2 ILE 76 HG23 ILE 76 -9.288 -6.579 0.056 119 3HG2 ILE 76 HG22 ILE 76 -10.277 -6.561 -1.404 120 1HD1 ILE 76 HD12 ILE 76 -12.346 -6.955 -1.184 121 2HD1 ILE 76 HD11 ILE 76 -12.583 -8.316 -0.087 122 3HD1 ILE 76 HD13 ILE 76 -13.725 -6.972 -0.084 123 H ILE 77 HN ILE 77 -11.577 -2.457 0.047 124 HA ILE 77 HA ILE 77 -9.282 -1.459 -1.315 125 HB ILE 77 HB ILE 77 -11.746 -0.835 -1.697 126 1HG1 ILE 77 HG12 ILE 77 -10.188 1.694 -1.539 127 2HG1 ILE 77 HG11 ILE 77 -9.447 0.373 -2.445 128 1HG2 ILE 77 HG21 ILE 77 -12.197 -0.205 0.661 129 2HG2 ILE 77 HG23 ILE 77 -11.082 1.149 0.494 130 3HG2 ILE 77 HG22 ILE 77 -12.566 1.106 -0.457 131 1HD1 ILE 77 HD12 ILE 77 -11.882 0.179 -3.489 132 2HD1 ILE 77 HD11 ILE 77 -11.978 1.871 -3.003 133 3HD1 ILE 77 HD13 ILE 77 -10.719 1.345 -4.120 134 H PHE 78 HN PHE 78 -10.729 -0.515 1.800 135 HA PHE 78 HA PHE 78 -8.872 1.520 2.488 136 1HB PHE 78 HB2 PHE 78 -10.760 -0.221 3.977 137 2HB PHE 78 HB1 PHE 78 -9.428 0.440 4.924 138 HD1 PHE 78 HD2 PHE 78 -10.654 2.210 1.956 139 HD2 PHE 78 HD1 PHE 78 -10.937 1.887 6.229 140 HE1 PHE 78 HE2 PHE 78 -11.800 4.408 2.046 141 HE2 PHE 78 HE1 PHE 78 -12.082 4.085 6.320 142 HZ PHE 78 HZ PHE 78 -12.514 5.345 4.228 143 H GLY 79 HN GLY 79 -8.756 -1.982 3.172 144 1HA GLY 79 HA2 GLY 79 -6.333 -2.001 4.629 145 2HA GLY 79 HA1 GLY 79 -6.921 -3.358 3.666 146 H VAL 80 HN VAL 80 -6.831 -2.314 1.085 147 HA VAL 80 HA VAL 80 -4.094 -2.606 0.391 148 HB VAL 80 HB VAL 80 -6.194 -1.089 -1.184 149 1HG1 VAL 80 HG11 VAL 80 -3.475 -2.154 -1.729 150 2HG1 VAL 80 HG13 VAL 80 -4.682 -2.434 -2.984 151 3HG1 VAL 80 HG12 VAL 80 -4.318 -0.790 -2.463 152 1HG2 VAL 80 HG23 VAL 80 -6.263 -3.768 -0.289 153 2HG2 VAL 80 HG22 VAL 80 -7.273 -3.041 -1.540 154 3HG2 VAL 80 HG21 VAL 80 -5.766 -3.843 -1.980 155 H MET 81 HN MET 81 -6.061 0.356 0.751 156 HA MET 81 HA MET 81 -3.992 2.233 0.205 157 1HB MET 81 HB2 MET 81 -6.311 2.487 2.152 158 2HB MET 81 HB1 MET 81 -5.354 3.826 1.518 159 1HG MET 81 HG2 MET 81 -6.218 3.595 -0.645 160 2HG MET 81 HG1 MET 81 -6.695 1.918 -0.379 161 1HE MET 81 HE2 MET 81 -6.760 5.209 1.088 162 2HE MET 81 HE1 MET 81 -8.265 5.838 0.423 163 3HE MET 81 HE3 MET 81 -8.203 5.272 2.098 164 H ALA 82 HN ALA 82 -5.043 0.741 3.251 165 HA ALA 82 HA ALA 82 -3.198 2.001 4.979 166 1HB ALA 82 HB3 ALA 82 -4.944 -0.356 5.095 167 2HB ALA 82 HB2 ALA 82 -3.473 -0.539 6.054 168 3HB ALA 82 HB1 ALA 82 -4.554 0.821 6.347 169 H GLY 83 HN GLY 83 -2.818 -1.043 3.099 170 1HA GLY 83 HA2 GLY 83 -0.256 -1.728 4.077 171 2HA GLY 83 HA1 GLY 83 -0.844 -2.138 2.463 172 H VAL 84 HN VAL 84 -1.134 0.369 1.293 173 HA VAL 84 HA VAL 84 1.527 1.004 0.519 174 HB VAL 84 HB VAL 84 -0.946 2.765 0.447 175 1HG1 VAL 84 HG11 VAL 84 1.693 2.971 -1.039 176 2HG1 VAL 84 HG13 VAL 84 0.279 3.986 -1.327 177 3HG1 VAL 84 HG12 VAL 84 1.126 4.073 0.217 178 1HG2 VAL 84 HG22 VAL 84 0.314 0.915 -1.605 179 2HG2 VAL 84 HG21 VAL 84 -1.231 0.668 -0.791 180 3HG2 VAL 84 HG23 VAL 84 -1.037 2.002 -1.926 181 H ILE 85 HN ILE 85 -0.618 2.643 2.871 182 HA ILE 85 HA ILE 85 1.180 4.682 3.671 183 HB ILE 85 HB ILE 85 -0.819 3.215 5.419 184 1HG1 ILE 85 HG12 ILE 85 -1.180 5.678 3.681 185 2HG1 ILE 85 HG11 ILE 85 -1.794 4.071 3.289 186 1HG2 ILE 85 HG23 ILE 85 0.939 4.811 6.446 187 2HG2 ILE 85 HG22 ILE 85 0.061 6.096 5.615 188 3HG2 ILE 85 HG21 ILE 85 -0.755 5.115 6.831 189 1HD1 ILE 85 HD13 ILE 85 -2.516 5.655 5.773 190 2HD1 ILE 85 HD12 ILE 85 -3.538 5.482 4.346 191 3HD1 ILE 85 HD11 ILE 85 -3.156 4.072 5.332 192 H GLY 86 HN GLY 86 0.748 1.389 4.998 193 1HA GLY 86 HA2 GLY 86 2.668 1.548 7.065 194 2HA GLY 86 HA1 GLY 86 2.222 0.056 6.235 195 H THR 87 HN THR 87 3.105 0.554 3.653 196 HA THR 87 HA THR 87 5.867 -0.045 3.805 197 HB THR 87 HB THR 87 4.226 1.115 1.536 198 HG1 THR 87 HG1 THR 87 3.869 -1.069 2.438 199 1HG2 THR 87 HG23 THR 87 7.117 0.350 1.725 200 2HG2 THR 87 HG22 THR 87 6.248 0.026 0.226 201 3HG2 THR 87 HG21 THR 87 6.369 1.676 0.836 202 H ILE 88 HN ILE 88 4.256 3.071 3.095 203 HA ILE 88 HA ILE 88 6.609 4.622 2.748 204 HB ILE 88 HB ILE 88 3.982 5.467 4.013 205 1HG1 ILE 88 HG12 ILE 88 4.932 5.551 1.130 206 2HG1 ILE 88 HG11 ILE 88 3.705 4.458 1.774 207 1HG2 ILE 88 HG22 ILE 88 6.382 6.951 2.967 208 2HG2 ILE 88 HG21 ILE 88 4.784 7.694 2.901 209 3HG2 ILE 88 HG23 ILE 88 5.473 7.222 4.454 210 1HD1 ILE 88 HD11 ILE 88 2.463 6.572 2.545 211 2HD1 ILE 88 HD13 ILE 88 3.560 7.461 1.489 212 3HD1 ILE 88 HD12 ILE 88 2.474 6.248 0.812 213 H LEU 89 HN LEU 89 4.756 3.912 5.712 214 HA LEU 89 HA LEU 89 6.362 5.388 7.516 215 1HB LEU 89 HB2 LEU 89 4.725 4.633 8.870 216 2HB LEU 89 HB1 LEU 89 4.235 3.453 7.661 217 HG LEU 89 HG LEU 89 6.054 1.932 8.514 218 1HD1 LEU 89 HD11 LEU 89 6.902 4.258 9.810 219 2HD1 LEU 89 HD13 LEU 89 6.233 3.262 11.103 220 3HD1 LEU 89 HD12 LEU 89 7.524 2.629 10.081 221 1HD2 LEU 89 HD23 LEU 89 3.654 1.790 9.248 222 2HD2 LEU 89 HD22 LEU 89 4.793 1.214 10.466 223 3HD2 LEU 89 HD21 LEU 89 4.062 2.810 10.627 224 H LEU 90 HN LEU 90 6.670 1.997 6.441 225 HA LEU 90 HA LEU 90 8.939 1.316 8.010 226 1HB LEU 90 HB2 LEU 90 7.694 0.287 5.527 227 2HB LEU 90 HB1 LEU 90 9.415 -0.056 5.690 228 HG LEU 90 HG LEU 90 8.964 -0.932 7.998 229 1HD1 LEU 90 HD12 LEU 90 6.422 0.257 7.491 230 2HD1 LEU 90 HD11 LEU 90 6.172 -1.481 7.653 231 3HD1 LEU 90 HD13 LEU 90 6.957 -0.578 8.948 232 1HD2 LEU 90 HD21 LEU 90 7.851 -2.124 5.490 233 2HD2 LEU 90 HD23 LEU 90 9.165 -2.698 6.518 234 3HD2 LEU 90 HD22 LEU 90 7.490 -2.931 7.015 235 H ILE 91 HN ILE 91 8.805 2.764 4.737 236 HA ILE 91 HA ILE 91 11.607 2.929 4.318 237 HB ILE 91 HB ILE 91 9.485 4.908 3.426 238 1HG1 ILE 91 HG12 ILE 91 10.591 2.542 1.897 239 2HG1 ILE 91 HG11 ILE 91 9.123 2.433 2.869 240 1HG2 ILE 91 HG23 ILE 91 12.048 5.427 3.256 241 2HG2 ILE 91 HG22 ILE 91 12.022 4.230 1.960 242 3HG2 ILE 91 HG21 ILE 91 11.026 5.681 1.842 243 1HD1 ILE 91 HD13 ILE 91 8.492 4.631 1.494 244 2HD1 ILE 91 HD12 ILE 91 9.608 3.924 0.327 245 3HD1 ILE 91 HD11 ILE 91 8.183 3.022 0.845 246 H SER 92 HN SER 92 9.401 5.305 5.854 247 HA SER 92 HA SER 92 11.388 7.255 6.415 248 1HB SER 92 HB2 SER 92 9.787 8.262 7.734 249 2HB SER 92 HB1 SER 92 8.735 7.145 6.870 250 HG SER 92 HG SER 92 8.299 6.725 8.949 251 H TYR 93 HN TYR 93 10.279 4.475 8.371 252 HA TYR 93 HA TYR 93 12.047 4.855 10.559 253 1HB TYR 93 HB2 TYR 93 10.192 2.909 9.760 254 2HB TYR 93 HB1 TYR 93 11.723 2.044 9.897 255 HD1 TYR 93 HD2 TYR 93 13.157 3.302 12.030 256 HD2 TYR 93 HD1 TYR 93 8.932 2.594 11.701 257 HE1 TYR 93 HE2 TYR 93 12.959 3.334 14.501 258 HE2 TYR 93 HE1 TYR 93 8.735 2.623 14.173 259 HH TYR 93 HH TYR 93 10.490 3.888 16.140 260 H GLY 94 HN GLY 94 12.510 2.968 7.552 261 1HA GLY 94 HA2 GLY 94 15.115 2.018 8.108 262 2HA GLY 94 HA1 GLY 94 14.482 2.292 6.484 263 H ILE 95 HN ILE 95 14.116 5.028 6.449 264 HA ILE 95 HA ILE 95 16.741 5.985 5.935 265 HB ILE 95 HB ILE 95 14.253 6.953 5.389 266 1HG1 ILE 95 HG12 ILE 95 16.228 9.097 5.319 267 2HG1 ILE 95 HG11 ILE 95 16.899 7.559 4.772 268 1HG2 ILE 95 HG23 ILE 95 13.980 7.845 7.698 269 2HG2 ILE 95 HG22 ILE 95 15.414 8.840 7.462 270 3HG2 ILE 95 HG21 ILE 95 13.975 9.122 6.485 271 1HD1 ILE 95 HD12 ILE 95 14.687 7.371 3.392 272 2HD1 ILE 95 HD11 ILE 95 14.585 9.114 3.643 273 3HD1 ILE 95 HD13 ILE 95 15.973 8.424 2.802 274 H ARG 96 HN ARG 96 14.663 6.500 8.789 275 HA ARG 96 HA ARG 96 16.446 8.129 10.270 276 1HB ARG 96 HB2 ARG 96 14.381 6.097 11.142 277 2HB ARG 96 HB1 ARG 96 15.285 7.081 12.293 278 1HG ARG 96 HG2 ARG 96 14.471 9.131 11.185 279 2HG ARG 96 HG1 ARG 96 13.557 8.146 10.041 280 1HD ARG 96 HD2 ARG 96 12.943 7.269 12.703 281 2HD ARG 96 HD1 ARG 96 12.741 9.020 12.622 282 HE ARG 96 HE ARG 96 11.465 8.119 10.342 283 1HH1 ARG 96 HH11 ARG 96 11.173 5.699 12.312 284 2HH1 ARG 96 HH12 ARG 96 9.575 6.001 12.906 285 1HH2 ARG 96 HH21 ARG 96 9.457 9.252 11.702 286 2HH2 ARG 96 HH22 ARG 96 8.603 8.013 12.561 287 H ARG 97 HN ARG 97 16.138 4.578 10.188 288 HA ARG 97 HA ARG 97 18.163 3.996 12.076 289 1HB ARG 97 HB2 ARG 97 16.547 2.491 10.333 290 2HB ARG 97 HB1 ARG 97 18.205 2.087 9.890 291 1HG ARG 97 HG2 ARG 97 18.732 1.532 12.205 292 2HG ARG 97 HG1 ARG 97 17.123 2.040 12.721 293 1HD ARG 97 HD2 ARG 97 16.158 0.294 11.189 294 2HD ARG 97 HD1 ARG 97 17.798 -0.281 10.893 295 HE ARG 97 HE ARG 97 16.350 -1.220 13.007 296 1HH1 ARG 97 HH11 ARG 97 19.442 -1.323 12.640 297 2HH1 ARG 97 HH12 ARG 97 19.947 -0.800 14.212 298 1HH2 ARG 97 HH21 ARG 97 16.822 0.417 15.099 299 2HH2 ARG 97 HH22 ARG 97 18.463 0.186 15.605 300 H LEU 98 HN LEU 98 18.464 4.402 8.530 301 HA LEU 98 HA LEU 98 21.243 3.876 8.396 302 1HB LEU 98 HB2 LEU 98 20.983 4.390 6.206 303 2HB LEU 98 HB1 LEU 98 19.282 4.626 6.581 304 HG LEU 98 HG LEU 98 19.882 7.052 7.132 305 1HD1 LEU 98 HD11 LEU 98 22.465 6.142 6.955 306 2HD1 LEU 98 HD13 LEU 98 22.236 6.857 5.359 307 3HD1 LEU 98 HD12 LEU 98 21.998 7.837 6.806 308 1HD2 LEU 98 HD21 LEU 98 20.292 6.015 4.313 309 2HD2 LEU 98 HD23 LEU 98 18.746 6.423 5.056 310 3HD2 LEU 98 HD22 LEU 98 19.928 7.689 4.731 311 H ILE 99 HN ILE 99 19.542 6.956 8.967 312 HA ILE 99 HA ILE 99 22.027 8.425 9.372 313 HB ILE 99 HB ILE 99 20.531 10.253 10.092 314 1HG1 ILE 99 HG12 ILE 99 18.208 8.385 9.646 315 2HG1 ILE 99 HG11 ILE 99 18.966 8.509 11.233 316 1HG2 ILE 99 HG21 ILE 99 20.850 9.577 7.631 317 2HG2 ILE 99 HG23 ILE 99 19.249 8.844 7.744 318 3HG2 ILE 99 HG22 ILE 99 19.446 10.578 7.997 319 1HD1 ILE 99 HD12 ILE 99 18.689 11.112 10.794 320 2HD1 ILE 99 HD11 ILE 99 17.407 10.565 9.714 321 3HD1 ILE 99 HD13 ILE 99 17.349 10.157 11.429 322 H LYS 100 HN LYS 100 20.116 6.332 11.295 323 HA LYS 100 HA LYS 100 21.218 7.498 13.810 324 1HB LYS 100 HB2 LYS 100 18.687 6.910 13.422 325 2HB LYS 100 HB1 LYS 100 19.218 5.258 13.738 326 1HG LYS 100 HG2 LYS 100 20.436 6.412 15.800 327 2HG LYS 100 HG1 LYS 100 19.165 7.615 15.577 328 1HD LYS 100 HD2 LYS 100 17.828 6.244 16.773 329 2HD LYS 100 HD1 LYS 100 17.821 5.185 15.362 330 1HE LYS 100 HE2 LYS 100 18.536 3.777 17.120 331 2HE LYS 100 HE1 LYS 100 20.033 4.235 16.309 332 1HZ LYS 100 HZ1 LYS 100 19.670 6.227 18.101 333 2HZ LYS 100 HZ3 LYS 100 19.116 4.872 18.956 334 3HZ LYS 100 HZ2 LYS 100 20.690 4.887 18.320 335 H LYS 101 HN LYS 101 22.685 6.334 15.029 336 HA LYS 101 HA LYS 101 23.143 3.479 14.359 337 1HB LYS 101 HB2 LYS 101 25.597 5.148 14.648 338 2HB LYS 101 HB1 LYS 101 25.324 3.711 13.663 339 1HG LYS 101 HG2 LYS 101 25.472 5.425 12.059 340 2HG LYS 101 HG1 LYS 101 23.732 5.240 12.280 341 1HD LYS 101 HD2 LYS 101 23.612 7.412 12.855 342 2HD LYS 101 HD1 LYS 101 24.604 7.058 14.270 343 1HE LYS 101 HE2 LYS 101 26.528 7.131 12.366 344 2HE LYS 101 HE1 LYS 101 25.375 8.274 11.675 345 1HZ LYS 101 HZ2 LYS 101 25.364 9.098 14.174 346 2HZ LYS 101 HZ1 LYS 101 26.937 8.458 14.131 347 3HZ LYS 101 HZ3 LYS 101 26.488 9.674 13.037 348 1H VAL 62 HT1 VAL 62 -9.930 -19.808 -3.691 349 2H VAL 62 HT3 VAL 62 -11.305 -19.285 -4.536 350 3H VAL 62 HT2 VAL 62 -11.474 -20.309 -3.192 351 HA VAL 62 HA VAL 62 -11.726 -21.795 -4.907 352 HB VAL 62 HB VAL 62 -9.487 -20.330 -6.336 353 1HG1 VAL 62 HG13 VAL 62 -10.730 -22.907 -6.712 354 2HG1 VAL 62 HG12 VAL 62 -11.103 -21.863 -8.084 355 3HG1 VAL 62 HG11 VAL 62 -9.424 -22.166 -7.638 356 1HG2 VAL 62 HG21 VAL 62 -12.499 -20.186 -6.516 357 2HG2 VAL 62 HG23 VAL 62 -11.346 -18.860 -6.366 358 3HG2 VAL 62 HG22 VAL 62 -11.477 -19.746 -7.885 359 H GLN 63 HN GLN 63 -10.332 -22.074 -2.527 360 HA GLN 63 HA GLN 63 -8.712 -24.349 -2.994 361 1HB GLN 63 HB2 GLN 63 -6.498 -23.198 -2.203 362 2HB GLN 63 HB1 GLN 63 -6.955 -23.089 -3.903 363 1HG GLN 63 HG2 GLN 63 -7.215 -20.850 -3.787 364 2HG GLN 63 HG1 GLN 63 -8.165 -20.968 -2.305 365 1HE2 GLN 63 HE22 GLN 63 -4.202 -20.083 -2.094 366 2HE2 GLN 63 HE21 GLN 63 -4.947 -20.400 -3.586 367 H LEU 64 HN LEU 64 -7.557 -25.020 -0.926 368 HA LEU 64 HA LEU 64 -8.989 -23.847 1.426 369 1HB LEU 64 HB2 LEU 64 -7.921 -26.653 0.990 370 2HB LEU 64 HB1 LEU 64 -8.662 -26.079 2.483 371 HG LEU 64 HG LEU 64 -10.554 -25.334 0.670 372 1HD1 LEU 64 HD13 LEU 64 -8.915 -27.487 -0.527 373 2HD1 LEU 64 HD12 LEU 64 -10.655 -27.774 -0.549 374 3HD1 LEU 64 HD11 LEU 64 -9.991 -26.325 -1.305 375 1HD2 LEU 64 HD22 LEU 64 -10.846 -26.624 2.792 376 2HD2 LEU 64 HD21 LEU 64 -11.820 -27.267 1.469 377 3HD2 LEU 64 HD23 LEU 64 -10.328 -28.081 1.944 378 H ALA 65 HN ALA 65 -6.150 -23.478 0.028 379 HA ALA 65 HA ALA 65 -4.346 -24.143 2.228 380 1HB ALA 65 HB2 ALA 65 -4.114 -23.113 -0.508 381 2HB ALA 65 HB1 ALA 65 -2.994 -22.343 0.617 382 3HB ALA 65 HB3 ALA 65 -2.982 -24.095 0.421 383 H HIS 66 HN HIS 66 -6.582 -21.691 1.726 384 HA HIS 66 HA HIS 66 -5.422 -19.294 2.487 385 1HB HIS 66 HB2 HIS 66 -8.001 -20.451 3.594 386 2HB HIS 66 HB1 HIS 66 -7.547 -18.745 3.624 387 HD1 HIS 66 HD1 HIS 66 -6.693 -18.006 0.953 388 HD2 HIS 66 HD2 HIS 66 -9.675 -20.876 1.452 389 HE1 HIS 66 HE1 HIS 66 -7.968 -18.103 -1.234 390 H HIS 67 HN HIS 67 -5.423 -18.268 4.732 391 HA HIS 67 HA HIS 67 -3.910 -20.002 6.539 392 1HB HIS 67 HB2 HIS 67 -4.451 -17.115 6.262 393 2HB HIS 67 HB1 HIS 67 -4.313 -17.673 7.929 394 HD1 HIS 67 HD1 HIS 67 -2.045 -18.864 8.599 395 HD2 HIS 67 HD2 HIS 67 -2.037 -17.106 4.819 396 HE1 HIS 67 HE1 HIS 67 0.378 -18.743 7.871 397 H PHE 68 HN PHE 68 -6.524 -17.744 7.429 398 HA PHE 68 HA PHE 68 -7.447 -19.686 9.450 399 1HB PHE 68 HB2 PHE 68 -8.789 -17.057 8.873 400 2HB PHE 68 HB1 PHE 68 -8.636 -17.909 10.410 401 HD1 PHE 68 HD2 PHE 68 -6.101 -18.335 11.167 402 HD2 PHE 68 HD1 PHE 68 -7.402 -15.222 8.508 403 HE1 PHE 68 HE2 PHE 68 -4.054 -17.036 11.685 404 HE2 PHE 68 HE1 PHE 68 -5.354 -13.924 9.026 405 HZ PHE 68 HZ PHE 68 -3.679 -14.831 10.614 406 H SER 69 HN SER 69 -10.216 -18.933 9.411 407 HA SER 69 HA SER 69 -11.067 -20.262 6.867 408 1HB SER 69 HB2 SER 69 -13.114 -20.910 8.314 409 2HB SER 69 HB1 SER 69 -11.602 -21.764 8.612 410 HG SER 69 HG SER 69 -12.985 -19.958 10.181 411 H GLU 70 HN GLU 70 -10.715 -17.391 7.226 412 HA GLU 70 HA GLU 70 -13.555 -16.549 6.832 413 1HB GLU 70 HB2 GLU 70 -11.401 -15.297 8.507 414 2HB GLU 70 HB1 GLU 70 -12.622 -14.269 7.755 415 1HG GLU 70 HG2 GLU 70 -14.270 -16.107 8.756 416 2HG GLU 70 HG1 GLU 70 -12.939 -16.337 9.890 417 HA PRO 71 HA PRO 71 -11.387 -15.625 2.956 418 1HB PRO 71 HB2 PRO 71 -13.977 -14.938 1.886 419 2HB PRO 71 HB1 PRO 71 -12.979 -16.350 1.511 420 1HG PRO 71 HG2 PRO 71 -15.403 -16.283 3.063 421 2HG PRO 71 HG1 PRO 71 -14.385 -17.685 2.707 422 1HD PRO 71 HD2 PRO 71 -14.673 -16.309 5.224 423 2HD PRO 71 HD1 PRO 71 -13.644 -17.709 4.859 424 H GLU 72 HN GLU 72 -13.706 -13.743 4.800 425 HA GLU 72 HA GLU 72 -13.459 -11.278 3.371 426 1HB GLU 72 HB2 GLU 72 -13.955 -10.329 5.810 427 2HB GLU 72 HB1 GLU 72 -15.205 -11.150 4.879 428 1HG GLU 72 HG2 GLU 72 -15.251 -12.935 6.284 429 2HG GLU 72 HG1 GLU 72 -13.498 -12.955 6.472 430 H ILE 73 HN ILE 73 -11.840 -12.178 6.460 431 HA ILE 73 HA ILE 73 -10.010 -10.011 6.406 432 HB ILE 73 HB ILE 73 -10.571 -11.598 8.346 433 1HG1 ILE 73 HG12 ILE 73 -7.991 -11.555 9.003 434 2HG1 ILE 73 HG11 ILE 73 -7.899 -10.535 7.568 435 1HG2 ILE 73 HG23 ILE 73 -8.463 -13.241 6.908 436 2HG2 ILE 73 HG22 ILE 73 -9.033 -13.545 8.550 437 3HG2 ILE 73 HG21 ILE 73 -10.140 -13.714 7.188 438 1HD1 ILE 73 HD11 ILE 73 -10.098 -9.491 8.782 439 2HD1 ILE 73 HD13 ILE 73 -9.157 -9.989 10.188 440 3HD1 ILE 73 HD12 ILE 73 -8.464 -8.868 9.017 441 H THR 74 HN THR 74 -10.007 -13.100 4.766 442 HA THR 74 HA THR 74 -7.200 -13.161 4.126 443 HB THR 74 HB THR 74 -7.776 -14.876 2.530 444 HG1 THR 74 HG1 THR 74 -9.644 -14.915 1.555 445 1HG2 THR 74 HG21 THR 74 -8.802 -14.846 5.218 446 2HG2 THR 74 HG23 THR 74 -9.878 -15.792 4.189 447 3HG2 THR 74 HG22 THR 74 -8.168 -16.208 4.294 448 H LEU 75 HN LEU 75 -10.060 -11.995 2.315 449 HA LEU 75 HA LEU 75 -8.481 -11.057 0.076 450 1HB LEU 75 HB2 LEU 75 -11.115 -11.489 0.347 451 2HB LEU 75 HB1 LEU 75 -11.098 -9.761 0.702 452 HG LEU 75 HG LEU 75 -10.165 -11.157 -1.812 453 1HD1 LEU 75 HD12 LEU 75 -12.581 -10.105 -1.171 454 2HD1 LEU 75 HD11 LEU 75 -11.786 -8.671 -1.821 455 3HD1 LEU 75 HD13 LEU 75 -11.940 -10.122 -2.814 456 1HD2 LEU 75 HD23 LEU 75 -8.429 -9.530 -1.119 457 2HD2 LEU 75 HD22 LEU 75 -9.285 -8.973 -2.556 458 3HD2 LEU 75 HD21 LEU 75 -9.664 -8.279 -0.980 459 H ILE 76 HN ILE 76 -9.931 -9.395 2.900 460 HA ILE 76 HA ILE 76 -9.030 -6.789 2.230 461 HB ILE 76 HB ILE 76 -9.216 -8.005 5.007 462 1HG1 ILE 76 HG12 ILE 76 -11.349 -6.440 3.538 463 2HG1 ILE 76 HG11 ILE 76 -11.272 -8.201 3.475 464 1HG2 ILE 76 HG22 ILE 76 -8.709 -5.303 3.945 465 2HG2 ILE 76 HG21 ILE 76 -9.991 -5.373 5.154 466 3HG2 ILE 76 HG23 ILE 76 -8.376 -5.965 5.545 467 1HD1 ILE 76 HD13 ILE 76 -10.989 -7.332 6.205 468 2HD1 ILE 76 HD12 ILE 76 -12.434 -6.601 5.505 469 3HD1 ILE 76 HD11 ILE 76 -12.240 -8.355 5.499 470 H ILE 77 HN ILE 77 -7.428 -9.357 4.128 471 HA ILE 77 HA ILE 77 -5.004 -7.961 4.637 472 HB ILE 77 HB ILE 77 -5.667 -10.894 4.330 473 1HG1 ILE 77 HG12 ILE 77 -6.371 -9.516 6.353 474 2HG1 ILE 77 HG11 ILE 77 -5.379 -10.930 6.717 475 1HG2 ILE 77 HG23 ILE 77 -3.021 -9.583 4.333 476 2HG2 ILE 77 HG22 ILE 77 -3.205 -10.857 5.540 477 3HG2 ILE 77 HG21 ILE 77 -3.468 -11.215 3.833 478 1HD1 ILE 77 HD11 ILE 77 -3.360 -9.451 6.718 479 2HD1 ILE 77 HD13 ILE 77 -4.423 -8.060 6.507 480 3HD1 ILE 77 HD12 ILE 77 -4.523 -9.032 7.976 481 H PHE 78 HN PHE 78 -5.938 -10.084 1.933 482 HA PHE 78 HA PHE 78 -3.516 -9.948 0.476 483 1HB PHE 78 HB2 PHE 78 -6.388 -10.362 -0.334 484 2HB PHE 78 HB1 PHE 78 -5.124 -10.244 -1.558 485 HD1 PHE 78 HD2 PHE 78 -2.842 -11.578 -0.589 486 HD2 PHE 78 HD1 PHE 78 -6.959 -12.578 0.112 487 HE1 PHE 78 HE2 PHE 78 -2.196 -13.933 -0.159 488 HE2 PHE 78 HE1 PHE 78 -6.315 -14.934 0.543 489 HZ PHE 78 HZ PHE 78 -3.932 -15.611 0.407 490 H GLY 79 HN GLY 79 -6.392 -7.816 0.280 491 1HA GLY 79 HA2 GLY 79 -5.402 -6.112 -1.761 492 2HA GLY 79 HA1 GLY 79 -6.536 -5.599 -0.507 493 H VAL 80 HN VAL 80 -5.029 -5.875 1.790 494 HA VAL 80 HA VAL 80 -3.449 -3.515 1.827 495 HB VAL 80 HB VAL 80 -3.201 -5.912 3.668 496 1HG1 VAL 80 HG11 VAL 80 -1.447 -4.040 3.729 497 2HG1 VAL 80 HG13 VAL 80 -2.748 -2.987 4.287 498 3HG1 VAL 80 HG12 VAL 80 -2.275 -4.388 5.248 499 1HG2 VAL 80 HG22 VAL 80 -5.467 -4.350 3.139 500 2HG2 VAL 80 HG21 VAL 80 -5.212 -5.373 4.554 501 3HG2 VAL 80 HG23 VAL 80 -4.793 -3.661 4.615 502 H MET 81 HN MET 81 -2.475 -6.936 1.613 503 HA MET 81 HA MET 81 0.329 -6.527 1.449 504 1HB MET 81 HB2 MET 81 -1.451 -8.661 0.239 505 2HB MET 81 HB1 MET 81 0.311 -8.724 0.179 506 1HG MET 81 HG2 MET 81 -1.335 -8.534 2.720 507 2HG MET 81 HG1 MET 81 -0.595 -10.011 2.101 508 1HE MET 81 HE2 MET 81 0.057 -10.040 4.486 509 2HE MET 81 HE1 MET 81 1.506 -10.708 3.739 510 3HE MET 81 HE3 MET 81 1.646 -9.512 5.036 511 H ALA 82 HN ALA 82 -2.124 -6.701 -1.131 512 HA ALA 82 HA ALA 82 -0.378 -6.359 -3.324 513 1HB ALA 82 HB1 ALA 82 -3.273 -6.086 -2.857 514 2HB ALA 82 HB3 ALA 82 -2.658 -5.046 -4.145 515 3HB ALA 82 HB2 ALA 82 -2.411 -6.790 -4.222 516 H GLY 83 HN GLY 83 -2.050 -3.819 -1.375 517 1HA GLY 83 HA2 GLY 83 -1.078 -1.613 -2.869 518 2HA GLY 83 HA1 GLY 83 -1.474 -1.553 -1.149 519 H VAL 84 HN VAL 84 0.349 -3.300 -0.057 520 HA VAL 84 HA VAL 84 2.720 -1.747 0.119 521 HB VAL 84 HB VAL 84 2.176 -4.658 0.750 522 1HG1 VAL 84 HG12 VAL 84 4.690 -3.016 1.029 523 2HG1 VAL 84 HG11 VAL 84 4.352 -4.347 2.136 524 3HG1 VAL 84 HG13 VAL 84 4.510 -4.657 0.407 525 1HG2 VAL 84 HG23 VAL 84 1.747 -2.120 2.074 526 2HG2 VAL 84 HG22 VAL 84 1.248 -3.732 2.585 527 3HG2 VAL 84 HG21 VAL 84 2.844 -3.123 3.025 528 H ILE 85 HN ILE 85 2.076 -4.726 -1.761 529 HA ILE 85 HA ILE 85 4.638 -4.985 -2.931 530 HB ILE 85 HB ILE 85 1.933 -5.647 -4.133 531 1HG1 ILE 85 HG12 ILE 85 3.831 -7.606 -2.868 532 2HG1 ILE 85 HG11 ILE 85 2.771 -6.642 -1.838 533 1HG2 ILE 85 HG22 ILE 85 4.485 -5.663 -5.320 534 2HG2 ILE 85 HG21 ILE 85 4.152 -7.344 -4.902 535 3HG2 ILE 85 HG23 ILE 85 3.030 -6.452 -5.929 536 1HD1 ILE 85 HD13 ILE 85 1.581 -8.023 -4.214 537 2HD1 ILE 85 HD12 ILE 85 1.962 -8.983 -2.784 538 3HD1 ILE 85 HD11 ILE 85 0.841 -7.628 -2.663 539 H GLY 86 HN GLY 86 1.784 -3.183 -4.150 540 1HA GLY 86 HA2 GLY 86 2.964 -2.253 -6.550 541 2HA GLY 86 HA1 GLY 86 1.691 -1.399 -5.674 542 H THR 87 HN THR 87 2.941 -0.764 -3.301 543 HA THR 87 HA THR 87 4.442 1.552 -3.952 544 HB THR 87 HB THR 87 4.534 -0.035 -1.367 545 HG1 THR 87 HG1 THR 87 2.423 0.563 -2.029 546 1HG2 THR 87 HG21 THR 87 5.157 2.855 -2.034 547 2HG2 THR 87 HG23 THR 87 5.041 2.215 -0.395 548 3HG2 THR 87 HG22 THR 87 6.301 1.631 -1.482 549 H ILE 88 HN ILE 88 5.546 -1.658 -2.857 550 HA ILE 88 HA ILE 88 8.325 -1.119 -2.832 551 HB ILE 88 HB ILE 88 6.837 -3.676 -3.493 552 1HG1 ILE 88 HG12 ILE 88 8.188 -2.669 -0.966 553 2HG1 ILE 88 HG11 ILE 88 6.447 -2.785 -1.226 554 1HG2 ILE 88 HG23 ILE 88 9.657 -3.010 -3.671 555 2HG2 ILE 88 HG22 ILE 88 9.383 -4.260 -2.457 556 3HG2 ILE 88 HG21 ILE 88 8.838 -4.507 -4.116 557 1HD1 ILE 88 HD13 ILE 88 6.836 -5.273 -1.701 558 2HD1 ILE 88 HD12 ILE 88 8.451 -5.039 -1.031 559 3HD1 ILE 88 HD11 ILE 88 7.030 -4.758 -0.026 560 H LEU 89 HN LEU 89 6.280 -2.331 -5.508 561 HA LEU 89 HA LEU 89 8.353 -2.584 -7.415 562 1HB LEU 89 HB2 LEU 89 6.620 -3.289 -8.673 563 2HB LEU 89 HB1 LEU 89 5.527 -2.792 -7.388 564 HG LEU 89 HG LEU 89 5.533 -0.471 -8.404 565 1HD1 LEU 89 HD13 LEU 89 7.497 -1.799 -10.107 566 2HD1 LEU 89 HD12 LEU 89 6.206 -1.054 -11.050 567 3HD1 LEU 89 HD11 LEU 89 7.156 -0.078 -9.929 568 1HD2 LEU 89 HD21 LEU 89 4.037 -2.695 -9.020 569 2HD2 LEU 89 HD23 LEU 89 3.685 -1.063 -9.590 570 3HD2 LEU 89 HD22 LEU 89 4.590 -2.179 -10.614 571 H LEU 90 HN LEU 90 6.294 0.258 -6.689 572 HA LEU 90 HA LEU 90 7.451 1.996 -8.629 573 1HB LEU 90 HB2 LEU 90 5.809 2.309 -6.225 574 2HB LEU 90 HB1 LEU 90 6.951 3.635 -6.428 575 HG LEU 90 HG LEU 90 4.798 4.068 -7.594 576 1HD1 LEU 90 HD13 LEU 90 7.138 4.825 -8.423 577 2HD1 LEU 90 HD12 LEU 90 6.933 3.595 -9.672 578 3HD1 LEU 90 HD11 LEU 90 5.789 4.931 -9.554 579 1HD2 LEU 90 HD22 LEU 90 5.620 1.606 -9.166 580 2HD2 LEU 90 HD21 LEU 90 4.180 1.785 -8.166 581 3HD2 LEU 90 HD23 LEU 90 4.339 2.713 -9.657 582 H ILE 91 HN ILE 91 8.391 1.407 -5.234 583 HA ILE 91 HA ILE 91 10.618 3.170 -5.168 584 HB ILE 91 HB ILE 91 10.321 0.498 -3.755 585 1HG1 ILE 91 HG12 ILE 91 9.543 3.297 -2.870 586 2HG1 ILE 91 HG11 ILE 91 8.408 2.048 -3.384 587 1HG2 ILE 91 HG23 ILE 91 12.026 2.946 -3.208 588 2HG2 ILE 91 HG22 ILE 91 11.820 1.610 -2.075 589 3HG2 ILE 91 HG21 ILE 91 12.601 1.333 -3.633 590 1HD1 ILE 91 HD11 ILE 91 10.364 1.675 -1.102 591 2HD1 ILE 91 HD13 ILE 91 8.708 2.237 -0.875 592 3HD1 ILE 91 HD12 ILE 91 9.010 0.629 -1.536 593 H SER 92 HN SER 92 10.467 -0.286 -6.076 594 HA SER 92 HA SER 92 13.226 -0.601 -6.645 595 1HB SER 92 HB2 SER 92 11.078 -1.890 -8.324 596 2HB SER 92 HB1 SER 92 12.627 -2.560 -7.818 597 HG SER 92 HG SER 92 10.862 -3.380 -6.595 598 H TYR 93 HN TYR 93 10.548 0.430 -8.784 599 HA TYR 93 HA TYR 93 12.113 0.831 -11.119 600 1HB TYR 93 HB2 TYR 93 9.476 1.156 -10.498 601 2HB TYR 93 HB1 TYR 93 9.997 2.836 -10.602 602 HD1 TYR 93 HD2 TYR 93 10.866 3.767 -12.699 603 HD2 TYR 93 HD1 TYR 93 9.537 -0.310 -12.448 604 HE1 TYR 93 HE2 TYR 93 10.834 3.625 -15.175 605 HE2 TYR 93 HE1 TYR 93 9.503 -0.452 -14.923 606 HH TYR 93 HH TYR 93 9.524 2.149 -16.912 607 H GLY 94 HN GLY 94 11.312 3.129 -8.486 608 1HA GLY 94 HA2 GLY 94 12.746 5.351 -9.508 609 2HA GLY 94 HA1 GLY 94 12.426 5.072 -7.796 610 H ILE 95 HN ILE 95 13.827 2.760 -7.297 611 HA ILE 95 HA ILE 95 16.487 3.704 -6.971 612 HB ILE 95 HB ILE 95 15.104 1.558 -5.987 613 1HG1 ILE 95 HG12 ILE 95 17.738 0.913 -5.436 614 2HG1 ILE 95 HG11 ILE 95 17.825 2.626 -5.852 615 1HG2 ILE 95 HG22 ILE 95 15.505 0.232 -8.056 616 2HG2 ILE 95 HG21 ILE 95 17.240 0.413 -7.813 617 3HG2 ILE 95 HG23 ILE 95 16.276 -0.490 -6.646 618 1HD1 ILE 95 HD11 ILE 95 15.746 2.855 -4.284 619 2HD1 ILE 95 HD13 ILE 95 16.272 1.298 -3.644 620 3HD1 ILE 95 HD12 ILE 95 17.345 2.696 -3.559 621 H ARG 96 HN ARG 96 15.161 1.471 -9.414 622 HA ARG 96 HA ARG 96 17.574 0.960 -10.806 623 1HB ARG 96 HB2 ARG 96 15.285 -0.121 -11.189 624 2HB ARG 96 HB1 ARG 96 14.889 1.298 -12.158 625 1HG ARG 96 HG2 ARG 96 16.565 0.822 -13.754 626 2HG ARG 96 HG1 ARG 96 17.404 -0.287 -12.669 627 1HD ARG 96 HD2 ARG 96 16.000 -1.359 -14.533 628 2HD ARG 96 HD1 ARG 96 15.720 -1.952 -12.896 629 HE ARG 96 HE ARG 96 13.875 0.102 -13.199 630 1HH1 ARG 96 HH11 ARG 96 13.906 -0.629 -16.114 631 2HH1 ARG 96 HH12 ARG 96 12.673 -1.843 -16.192 632 1HH2 ARG 96 HH21 ARG 96 12.626 -2.391 -12.768 633 2HH2 ARG 96 HH22 ARG 96 11.949 -2.841 -14.297 634 H ARG 97 HN ARG 97 15.173 3.551 -11.310 635 HA ARG 97 HA ARG 97 16.473 4.813 -13.483 636 1HB ARG 97 HB2 ARG 97 14.254 5.527 -12.919 637 2HB ARG 97 HB1 ARG 97 14.736 5.932 -11.271 638 1HG ARG 97 HG2 ARG 97 15.411 7.989 -11.895 639 2HG ARG 97 HG1 ARG 97 16.386 7.329 -13.208 640 1HD ARG 97 HD2 ARG 97 14.213 7.050 -14.511 641 2HD ARG 97 HD1 ARG 97 13.441 8.023 -13.260 642 HE ARG 97 HE ARG 97 14.683 9.204 -15.385 643 1HH1 ARG 97 HH21 ARG 97 17.310 9.419 -14.536 644 2HH1 ARG 97 HH22 ARG 97 17.353 10.708 -13.380 645 1HH2 ARG 97 HH11 ARG 97 13.932 10.671 -12.813 646 2HH2 ARG 97 HH12 ARG 97 15.440 11.418 -12.404 647 H LEU 98 HN LEU 98 16.855 5.374 -9.983 648 HA LEU 98 HA LEU 98 18.740 7.475 -10.142 649 1HB LEU 98 HB2 LEU 98 18.075 5.375 -8.124 650 2HB LEU 98 HB1 LEU 98 19.591 6.253 -7.917 651 HG LEU 98 HG LEU 98 17.277 7.957 -8.585 652 1HD1 LEU 98 HD12 LEU 98 17.314 6.169 -6.177 653 2HD1 LEU 98 HD11 LEU 98 16.697 7.812 -6.004 654 3HD1 LEU 98 HD13 LEU 98 15.944 6.703 -7.151 655 1HD2 LEU 98 HD23 LEU 98 19.718 8.520 -7.809 656 2HD2 LEU 98 HD22 LEU 98 18.375 9.465 -7.166 657 3HD2 LEU 98 HD21 LEU 98 19.093 8.179 -6.195 658 H ILE 99 HN ILE 99 19.307 3.943 -10.047 659 HA ILE 99 HA ILE 99 22.187 4.287 -10.377 660 HB ILE 99 HB ILE 99 22.241 1.846 -10.509 661 1HG1 ILE 99 HG12 ILE 99 19.322 1.538 -10.176 662 2HG1 ILE 99 HG11 ILE 99 19.826 2.085 -11.775 663 1HG2 ILE 99 HG22 ILE 99 20.369 3.038 -8.454 664 2HG2 ILE 99 HG21 ILE 99 20.897 1.356 -8.384 665 3HG2 ILE 99 HG23 ILE 99 22.082 2.659 -8.271 666 1HD1 ILE 99 HD11 ILE 99 21.641 0.047 -11.035 667 2HD1 ILE 99 HD13 ILE 99 20.033 -0.554 -10.631 668 3HD1 ILE 99 HD12 ILE 99 20.392 -0.032 -12.276 669 H LYS 100 HN LYS 100 19.444 3.917 -12.515 670 HA LYS 100 HA LYS 100 21.353 3.946 -14.811 671 1HB LYS 100 HB2 LYS 100 19.580 1.828 -14.119 672 2HB LYS 100 HB1 LYS 100 18.939 2.599 -15.570 673 1HG LYS 100 HG2 LYS 100 20.666 1.883 -16.858 674 2HG LYS 100 HG1 LYS 100 21.860 2.224 -15.605 675 1HD LYS 100 HD2 LYS 100 20.109 0.028 -14.840 676 2HD LYS 100 HD1 LYS 100 20.938 -0.304 -16.361 677 1HE LYS 100 HE2 LYS 100 23.100 0.200 -15.324 678 2HE LYS 100 HE1 LYS 100 22.296 0.611 -13.809 679 1HZ LYS 100 HZ3 LYS 100 21.327 -1.857 -14.412 680 2HZ LYS 100 HZ2 LYS 100 22.956 -1.960 -14.885 681 3HZ LYS 100 HZ1 LYS 100 22.557 -1.523 -13.293 682 H LYS 101 HN LYS 101 20.833 5.424 -16.377 683 HA LYS 101 HA LYS 101 19.663 7.146 -17.464 684 1HB LYS 101 HB2 LYS 101 17.527 5.289 -16.524 685 2HB LYS 101 HB1 LYS 101 17.024 6.908 -17.013 686 1HG LYS 101 HG2 LYS 101 18.621 6.396 -19.080 687 2HG LYS 101 HG1 LYS 101 18.245 4.727 -18.653 688 1HD LYS 101 HD2 LYS 101 15.868 6.415 -18.615 689 2HD LYS 101 HD1 LYS 101 16.655 6.424 -20.194 690 1HE LYS 101 HE2 LYS 101 15.728 4.414 -20.606 691 2HE LYS 101 HE1 LYS 101 16.723 3.743 -19.313 692 1HZ LYS 101 HZ1 LYS 101 14.983 4.421 -17.731 693 2HZ LYS 101 HZ3 LYS 101 14.015 4.927 -19.029 694 3HZ LYS 101 HZ2 LYS 101 14.427 3.286 -18.868 No H/Q in entry = 694 No H/Q in entry = 694
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