NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
2048 | 1bc4 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 HN PCA 1 HN PCA 1 -2.107 4.234 4.234 2 HA PCA 1 HA PCA 1 -4.232 3.058 3.058 3 1HB PCA 1 1HB PCA 1 -4.765 3.449 3.449 4 2HB PCA 1 2HB PCA 1 -3.180 2.861 2.861 5 1HG PCA 1 1HG PCA 1 -4.090 5.595 5.595 6 2HG PCA 1 2HG PCA 1 -2.594 5.016 5.016 7 H ASN 2 H ASN 2 -3.740 0.992 0.992 8 HA ASN 2 HA ASN 2 -1.168 -0.267 -0.267 9 1HB ASN 2 2HB ASN 2 -2.431 -0.818 -0.818 10 2HB ASN 2 1HB ASN 2 -3.832 -1.280 -1.280 11 1HD2 ASN 2 2HD2 ASN 2 -0.625 -3.872 -3.872 12 2HD2 ASN 2 1HD2 ASN 2 -0.328 -2.205 -2.205 13 H TRP 3 H TRP 3 -0.964 -2.395 -2.395 14 HA TRP 3 HA TRP 3 -1.803 -2.135 -2.135 15 1HB TRP 3 2HB TRP 3 0.145 -3.613 -3.613 16 2HB TRP 3 1HB TRP 3 -0.873 -4.811 -4.811 17 HD1 TRP 3 HD1 TRP 3 2.142 -3.055 -3.055 18 HE1 TRP 3 HE1 TRP 3 2.725 -2.859 -2.859 19 HE3 TRP 3 HE3 TRP 3 -2.428 -4.067 -4.067 20 HZ2 TRP 3 HZ2 TRP 3 1.442 -3.111 -3.111 21 HZ3 TRP 3 HZ3 TRP 3 -2.707 -4.098 -4.098 22 HH2 TRP 3 HH2 TRP 3 -0.776 -3.623 -3.623 23 H ALA 4 H ALA 4 -2.915 -4.229 -4.229 24 HA ALA 4 HA ALA 4 -4.640 -5.913 -5.913 25 1HB ALA 4 2HB ALA 4 -4.319 -5.321 -5.321 26 2HB ALA 4 1HB ALA 4 -5.782 -6.151 -6.151 27 3HB ALA 4 3HB ALA 4 -4.200 -6.862 -6.862 28 H THR 5 H THR 5 -5.484 -3.241 -3.241 29 HA THR 5 HA THR 5 -8.237 -3.080 -3.080 30 HB THR 5 HB THR 5 -6.685 -0.666 -0.666 31 HG1 THR 5 HG1 THR 5 -7.475 -2.899 -2.899 32 1HG2 THR 5 1HG2 THR 5 -9.462 -1.772 -1.772 33 2HG2 THR 5 3HG2 THR 5 -8.860 -0.644 -0.644 34 3HG2 THR 5 2HG2 THR 5 -8.946 -0.155 -0.155 35 H PHE 6 H PHE 6 -5.284 -1.691 -1.691 36 HA PHE 6 HA PHE 6 -6.602 0.102 0.102 37 1HB PHE 6 2HB PHE 6 -4.299 0.548 0.548 38 2HB PHE 6 1HB PHE 6 -3.824 -1.022 -1.022 39 HD1 PHE 6 HD2 PHE 6 -3.717 -1.438 -1.438 40 HD2 PHE 6 HD1 PHE 6 -4.921 2.436 2.436 41 HE1 PHE 6 HE2 PHE 6 -3.414 -0.477 -0.477 42 HE2 PHE 6 HE1 PHE 6 -4.620 3.390 3.390 43 HZ PHE 6 HZ PHE 6 -3.862 1.914 1.914 44 H GLN 7 H GLN 7 -5.778 -3.280 -3.280 45 HA GLN 7 HA GLN 7 -5.813 -3.906 -3.906 46 1HB GLN 7 2HB GLN 7 -5.303 -5.544 -5.544 47 2HB GLN 7 1HB GLN 7 -7.040 -5.625 -5.625 48 1HG GLN 7 2HG GLN 7 -7.482 -6.658 -6.658 49 2HG GLN 7 1HG GLN 7 -5.985 -6.077 -6.077 50 1HE2 GLN 7 2HE2 GLN 7 -4.150 -8.925 -8.925 51 2HE2 GLN 7 1HE2 GLN 7 -4.211 -7.494 -7.494 52 H GLN 8 H GLN 8 -8.338 -3.207 -3.207 53 HA GLN 8 HA GLN 8 -10.522 -3.717 -3.717 54 1HB GLN 8 2HB GLN 8 -10.280 -2.914 -2.914 55 2HB GLN 8 1HB GLN 8 -11.609 -2.142 -2.142 56 1HG GLN 8 2HG GLN 8 -12.712 -4.137 -4.137 57 2HG GLN 8 1HG GLN 8 -11.223 -5.084 -5.084 58 1HE2 GLN 8 2HE2 GLN 8 -11.140 -5.338 -5.338 59 2HE2 GLN 8 1HE2 GLN 8 -10.128 -5.256 -5.256 60 H LYS 9 H LYS 9 -8.659 -0.986 -0.986 61 HA LYS 9 HA LYS 9 -10.023 1.235 1.235 62 1HB LYS 9 2HB LYS 9 -7.931 1.398 1.398 63 2HB LYS 9 1HB LYS 9 -7.009 0.866 0.866 64 1HG LYS 9 2HG LYS 9 -6.850 3.238 3.238 65 2HG LYS 9 1HG LYS 9 -8.045 2.863 2.863 66 1HD LYS 9 2HD LYS 9 -9.050 4.600 4.600 67 2HD LYS 9 1HD LYS 9 -9.800 3.143 3.143 68 1HE LYS 9 2HE LYS 9 -9.179 4.029 4.029 69 2HE LYS 9 1HE LYS 9 -7.610 3.331 3.331 70 1HZ LYS 9 2HZ LYS 9 -8.435 6.079 6.079 71 2HZ LYS 9 1HZ LYS 9 -7.539 5.714 5.714 72 3HZ LYS 9 3HZ LYS 9 -6.886 5.396 5.396 73 H HIS 10 H HIS 10 -7.592 -0.483 -0.483 74 HA HIS 10 HA HIS 10 -8.800 0.850 0.850 75 1HB HIS 10 2HB HIS 10 -6.175 -0.588 -0.588 76 2HB HIS 10 1HB HIS 10 -6.801 -0.253 -0.253 77 HD1 HIS 10 HD1 HIS 10 -6.871 1.959 1.959 78 HD2 HIS 10 HD2 HIS 10 -5.272 1.913 1.913 79 HE1 HIS 10 HE1 HIS 10 -5.739 4.201 4.201 80 H ILE 11 H ILE 11 -8.318 -2.398 -2.398 81 HA ILE 11 HA ILE 11 -9.422 -3.524 -3.524 82 HB ILE 11 HB ILE 11 -8.311 -5.197 -5.197 83 1HG1 ILE 11 2HG1 ILE 11 -6.585 -3.526 -3.526 84 2HG1 ILE 11 1HG1 ILE 11 -6.121 -5.073 -5.073 85 1HG2 ILE 11 3HG2 ILE 11 -9.575 -5.950 -5.950 86 2HG2 ILE 11 2HG2 ILE 11 -7.968 -5.734 -5.734 87 3HG2 ILE 11 1HG2 ILE 11 -8.211 -6.864 -6.864 88 1HD1 ILE 11 1HD1 ILE 11 -7.618 -3.816 -3.816 89 2HD1 ILE 11 3HD1 ILE 11 -6.617 -2.534 -2.534 90 3HD1 ILE 11 2HD1 ILE 11 -5.865 -3.995 -3.995 91 H ILE 12 H ILE 12 -11.619 -2.602 -2.602 92 HA ILE 12 HA ILE 12 -13.010 -4.668 -4.668 93 HB ILE 12 HB ILE 12 -14.315 -2.229 -2.229 94 1HG1 ILE 12 2HG1 ILE 12 -14.003 -1.459 -1.459 95 2HG1 ILE 12 1HG1 ILE 12 -12.541 -2.421 -2.421 96 1HG2 ILE 12 3HG2 ILE 12 -15.473 -4.332 -4.332 97 2HG2 ILE 12 2HG2 ILE 12 -15.078 -3.446 -3.446 98 3HG2 ILE 12 1HG2 ILE 12 -16.099 -2.701 -2.701 99 1HD1 ILE 12 1HD1 ILE 12 -13.242 -0.456 -0.456 100 2HD1 ILE 12 3HD1 ILE 12 -12.555 0.154 0.154 101 3HD1 ILE 12 2HD1 ILE 12 -11.654 -1.007 -1.007 102 H ASN 13 H ASN 13 -12.121 -5.926 -5.926 103 HA ASN 13 HA ASN 13 -13.394 -5.579 -5.579 104 1HB ASN 13 2HB ASN 13 -11.113 -6.734 -6.734 105 2HB ASN 13 1HB ASN 13 -12.118 -8.170 -8.170 106 1HD2 ASN 13 2HD2 ASN 13 -11.835 -8.717 -8.717 107 2HD2 ASN 13 1HD2 ASN 13 -11.591 -9.329 -9.329 108 H THR 14 H THR 14 -15.628 -5.562 -5.562 109 HA THR 14 HA THR 14 -16.762 -8.283 -8.283 110 HB THR 14 HB THR 14 -18.734 -7.033 -7.033 111 HG1 THR 14 HG1 THR 14 -18.704 -4.992 -4.992 112 1HG2 THR 14 2HG2 THR 14 -16.047 -6.523 -6.523 113 2HG2 THR 14 1HG2 THR 14 -17.606 -6.478 -6.478 114 3HG2 THR 14 3HG2 THR 14 -17.003 -7.997 -7.997 115 HA PRO 15 HA PRO 15 -18.312 -7.107 -7.107 116 1HB PRO 15 2HB PRO 15 -18.772 -9.661 -9.661 117 2HB PRO 15 1HB PRO 15 -17.180 -8.884 -8.884 118 1HG PRO 15 2HG PRO 15 -18.175 -11.019 -11.019 119 2HG PRO 15 1HG PRO 15 -16.515 -10.647 -10.647 120 1HD PRO 15 2HD PRO 15 -17.733 -9.969 -9.969 121 2HD PRO 15 1HD PRO 15 -16.166 -9.379 -9.379 122 H ILE 16 H ILE 16 -20.069 -7.166 -7.166 123 HA ILE 16 HA ILE 16 -22.545 -8.383 -8.383 124 HB ILE 16 HB ILE 16 -21.963 -7.602 -7.602 125 1HG1 ILE 16 2HG1 ILE 16 -22.158 -10.304 -10.304 126 2HG1 ILE 16 1HG1 ILE 16 -21.449 -10.081 -10.081 127 1HG2 ILE 16 2HG2 ILE 16 -24.239 -9.061 -9.061 128 2HG2 ILE 16 1HG2 ILE 16 -23.973 -9.122 -9.122 129 3HG2 ILE 16 3HG2 ILE 16 -24.324 -7.583 -7.583 130 1HD1 ILE 16 1HD1 ILE 16 -19.648 -8.699 -8.699 131 2HD1 ILE 16 3HD1 ILE 16 -20.347 -8.980 -8.980 132 3HD1 ILE 16 2HD1 ILE 16 -19.677 -10.327 -10.327 133 H ILE 17 H ILE 17 -24.551 -7.061 -7.061 134 HA ILE 17 HA ILE 17 -23.957 -4.174 -4.174 135 HB ILE 17 HB ILE 17 -26.349 -4.054 -4.054 136 1HG1 ILE 17 2HG1 ILE 17 -26.355 -7.065 -7.065 137 2HG1 ILE 17 1HG1 ILE 17 -27.005 -5.996 -5.996 138 1HG2 ILE 17 2HG2 ILE 17 -24.288 -5.780 -5.780 139 2HG2 ILE 17 1HG2 ILE 17 -25.926 -6.034 -6.034 140 3HG2 ILE 17 3HG2 ILE 17 -25.193 -4.432 -4.432 141 1HD1 ILE 17 2HD1 ILE 17 -28.357 -4.931 -4.931 142 2HD1 ILE 17 1HD1 ILE 17 -27.977 -6.418 -6.418 143 3HD1 ILE 17 3HD1 ILE 17 -28.893 -6.485 -6.485 144 H ASN 18 H ASN 18 -23.661 -5.337 -5.337 145 HA ASN 18 HA ASN 18 -25.729 -3.731 -3.731 146 1HB ASN 18 2HB ASN 18 -24.391 -6.228 -6.228 147 2HB ASN 18 1HB ASN 18 -25.779 -5.359 -5.359 148 1HD2 ASN 18 2HD2 ASN 18 -27.947 -6.588 -6.588 149 2HD2 ASN 18 1HD2 ASN 18 -27.552 -5.096 -5.096 150 H CYS 19 H CYS 19 -24.324 -1.924 -1.924 151 HA CYS 19 HA CYS 19 -21.552 -2.175 -2.175 152 1HB CYS 19 2HB CYS 19 -23.149 0.405 0.405 153 2HB CYS 19 1HB CYS 19 -21.406 0.197 0.197 154 H ASN 20 H ASN 20 -24.560 -1.996 -1.996 155 HA ASN 20 HA ASN 20 -23.367 -0.773 -0.773 156 1HB ASN 20 2HB ASN 20 -25.598 -1.486 -1.486 157 2HB ASN 20 1HB ASN 20 -25.682 -0.285 -0.285 158 1HD2 ASN 20 2HD2 ASN 20 -27.454 -2.403 -2.403 159 2HD2 ASN 20 1HD2 ASN 20 -26.620 -0.936 -0.936 160 H THR 21 H THR 21 -24.617 -3.991 -3.991 161 HA THR 21 HA THR 21 -23.943 -5.351 -5.351 162 HB THR 21 HB THR 21 -23.683 -7.351 -7.351 163 HG1 THR 21 HG1 THR 21 -23.685 -5.837 -5.837 164 1HG2 THR 21 2HG2 THR 21 -25.991 -5.959 -5.959 165 2HG2 THR 21 1HG2 THR 21 -26.382 -7.035 -7.035 166 3HG2 THR 21 3HG2 THR 21 -25.532 -7.660 -7.660 167 H ILE 22 H ILE 22 -21.971 -4.556 -4.556 168 HA ILE 22 HA ILE 22 -19.710 -6.181 -6.181 169 HB ILE 22 HB ILE 22 -18.472 -5.051 -5.051 170 1HG1 ILE 22 2HG1 ILE 22 -20.189 -3.565 -3.565 171 2HG1 ILE 22 1HG1 ILE 22 -20.804 -3.206 -3.206 172 1HG2 ILE 22 1HG2 ILE 22 -21.266 -6.024 -6.024 173 2HG2 ILE 22 3HG2 ILE 22 -20.050 -5.712 -5.712 174 3HG2 ILE 22 2HG2 ILE 22 -19.768 -6.956 -6.956 175 1HD1 ILE 22 1HD1 ILE 22 -18.123 -2.979 -2.979 176 2HD1 ILE 22 3HD1 ILE 22 -18.234 -2.449 -2.449 177 3HD1 ILE 22 2HD1 ILE 22 -19.165 -1.623 -1.623 178 H MET 23 H MET 23 -20.593 -2.734 -2.734 179 HA MET 23 HA MET 23 -18.093 -2.195 -2.195 180 1HB MET 23 2HB MET 23 -18.684 0.151 0.151 181 2HB MET 23 1HB MET 23 -18.899 -0.564 -0.564 182 1HG MET 23 2HG MET 23 -20.945 0.432 0.432 183 2HG MET 23 1HG MET 23 -21.381 -0.948 -0.948 184 1HE MET 23 2HE MET 23 -22.997 1.252 1.252 185 2HE MET 23 1HE MET 23 -23.355 0.516 0.516 186 3HE MET 23 3HE MET 23 -23.075 2.259 2.259 187 H ASP 24 H ASP 24 -20.731 -3.711 -3.711 188 HA ASP 24 HA ASP 24 -21.857 -2.220 -2.220 189 1HB ASP 24 2HB ASP 24 -21.640 -5.127 -5.127 190 2HB ASP 24 1HB ASP 24 -22.145 -4.720 -4.720 191 H ASN 25 H ASN 25 -20.152 -1.162 -1.162 192 HA ASN 25 HA ASN 25 -18.867 -2.621 -2.621 193 1HB ASN 25 2HB ASN 25 -17.408 -3.269 -3.269 194 2HB ASN 25 1HB ASN 25 -17.060 -1.576 -1.576 195 1HD2 ASN 25 2HD2 ASN 25 -15.713 -3.023 -3.023 196 2HD2 ASN 25 1HD2 ASN 25 -17.288 -3.403 -3.403 197 H ASN 26 H ASN 26 -17.734 -1.173 -1.173 198 HA ASN 26 HA ASN 26 -18.794 1.547 1.547 199 1HB ASN 26 2HB ASN 26 -18.258 0.195 0.195 200 2HB ASN 26 1HB ASN 26 -16.546 0.428 0.428 201 1HD2 ASN 26 2HD2 ASN 26 -16.481 3.714 3.714 202 2HD2 ASN 26 1HD2 ASN 26 -15.605 2.403 2.403 203 H ILE 27 H ILE 27 -16.116 0.128 0.128 204 HA ILE 27 HA ILE 27 -14.406 2.519 2.519 205 HB ILE 27 HB ILE 27 -14.155 0.011 0.011 206 1HG1 ILE 27 2HG1 ILE 27 -12.769 0.704 0.704 207 2HG1 ILE 27 1HG1 ILE 27 -14.168 -0.368 -0.368 208 1HG2 ILE 27 1HG2 ILE 27 -12.384 2.380 2.380 209 2HG2 ILE 27 3HG2 ILE 27 -11.667 0.809 0.809 210 3HG2 ILE 27 2HG2 ILE 27 -12.728 1.587 1.587 211 1HD1 ILE 27 2HD1 ILE 27 -12.862 -1.757 -1.757 212 2HD1 ILE 27 1HD1 ILE 27 -11.453 -0.765 -0.765 213 3HD1 ILE 27 3HD1 ILE 27 -12.191 -1.756 -1.756 214 H TYR 28 H TYR 28 -17.259 2.089 2.089 215 HA TYR 28 HA TYR 28 -16.420 3.733 3.733 216 1HB TYR 28 2HB TYR 28 -18.127 1.236 1.236 217 2HB TYR 28 1HB TYR 28 -18.246 2.446 2.446 218 HD1 TYR 28 HD2 TYR 28 -15.954 3.271 3.271 219 HD2 TYR 28 HD1 TYR 28 -16.516 -0.459 -0.459 220 HE1 TYR 28 HE2 TYR 28 -13.913 2.374 2.374 221 HE2 TYR 28 HE1 TYR 28 -14.464 -1.352 -1.352 222 HH TYR 28 HH TYR 28 -12.159 0.239 0.239 223 H ILE 29 H ILE 29 -17.351 5.132 5.132 224 HA ILE 29 HA ILE 29 -20.064 5.995 5.995 225 HB ILE 29 HB ILE 29 -19.549 5.382 5.382 226 1HG1 ILE 29 2HG1 ILE 29 -21.044 3.683 3.683 227 2HG1 ILE 29 1HG1 ILE 29 -19.497 3.264 3.264 228 1HG2 ILE 29 2HG2 ILE 29 -21.838 6.331 6.331 229 2HG2 ILE 29 1HG2 ILE 29 -22.187 5.398 5.398 230 3HG2 ILE 29 3HG2 ILE 29 -21.294 6.913 6.913 231 1HD1 ILE 29 3HD1 ILE 29 -21.086 3.844 3.844 232 2HD1 ILE 29 2HD1 ILE 29 -22.186 3.005 3.005 233 3HD1 ILE 29 1HD1 ILE 29 -20.685 2.230 2.230 234 H VAL 30 H VAL 30 -20.476 8.150 8.150 235 HA VAL 30 HA VAL 30 -18.180 9.647 9.647 236 HB VAL 30 HB VAL 30 -18.874 9.992 9.992 237 1HG1 VAL 30 1HG1 VAL 30 -21.303 10.272 10.272 238 2HG1 VAL 30 3HG1 VAL 30 -20.929 11.794 11.794 239 3HG1 VAL 30 2HG1 VAL 30 -20.604 11.606 11.606 240 1HG2 VAL 30 3HG2 VAL 30 -17.638 11.601 11.601 241 2HG2 VAL 30 2HG2 VAL 30 -17.618 11.845 11.845 242 3HG2 VAL 30 1HG2 VAL 30 -18.814 12.678 12.678 243 H GLY 31 H GLY 31 -19.499 12.057 12.057 244 1HA GLY 31 2HA GLY 31 -21.209 11.116 11.116 245 2HA GLY 31 1HA GLY 31 -20.413 12.681 12.681 246 H GLY 32 H GLY 32 -22.998 10.796 10.796 247 1HA GLY 32 2HA GLY 32 -24.884 12.987 12.987 248 2HA GLY 32 1HA GLY 32 -24.329 12.787 12.787 249 H GLN 33 H GLN 33 -24.281 10.319 10.319 250 HA GLN 33 HA GLN 33 -26.321 8.574 8.574 251 1HB GLN 33 2HB GLN 33 -26.924 10.278 10.278 252 2HB GLN 33 1HB GLN 33 -27.509 8.614 8.614 253 1HG GLN 33 2HG GLN 33 -28.352 9.200 9.200 254 2HG GLN 33 1HG GLN 33 -28.211 10.870 10.870 255 1HE2 GLN 33 2HE2 GLN 33 -30.615 10.113 10.113 256 2HE2 GLN 33 1HE2 GLN 33 -29.003 10.641 10.641 257 H CYS 34 H CYS 34 -25.052 9.270 9.270 258 HA CYS 34 HA CYS 34 -23.428 6.784 6.784 259 1HB CYS 34 2HB CYS 34 -24.254 6.219 6.219 260 2HB CYS 34 1HB CYS 34 -25.503 6.086 6.086 261 H LYS 35 H LYS 35 -21.917 6.778 6.778 262 HA LYS 35 HA LYS 35 -20.651 9.403 9.403 263 1HB LYS 35 2HB LYS 35 -20.014 6.629 6.629 264 2HB LYS 35 1HB LYS 35 -19.202 7.985 7.985 265 1HG LYS 35 2HG LYS 35 -18.419 8.810 8.810 266 2HG LYS 35 1HG LYS 35 -19.284 7.516 7.516 267 1HD LYS 35 2HD LYS 35 -17.905 5.880 5.880 268 2HD LYS 35 1HD LYS 35 -16.914 7.260 7.260 269 1HE LYS 35 2HE LYS 35 -17.467 6.852 6.852 270 2HE LYS 35 1HE LYS 35 -16.283 5.804 5.804 271 1HZ LYS 35 2HZ LYS 35 -16.139 8.699 8.699 272 2HZ LYS 35 1HZ LYS 35 -15.570 8.079 8.079 273 3HZ LYS 35 3HZ LYS 35 -14.894 7.543 7.543 274 H ARG 36 H ARG 36 -20.363 10.620 10.620 275 HA ARG 36 HA ARG 36 -22.638 10.577 10.577 276 1HB ARG 36 2HB ARG 36 -20.304 12.347 12.347 277 2HB ARG 36 1HB ARG 36 -20.963 12.397 12.397 278 1HG ARG 36 2HG ARG 36 -23.261 12.679 12.679 279 2HG ARG 36 1HG ARG 36 -22.411 12.959 12.959 280 1HD ARG 36 2HD ARG 36 -21.020 14.658 14.658 281 2HD ARG 36 1HD ARG 36 -22.515 14.659 14.659 282 HE ARG 36 HE ARG 36 -23.338 15.041 15.041 283 1HH1 ARG 36 1HH1 ARG 36 -20.926 18.010 18.010 284 2HH1 ARG 36 2HH1 ARG 36 -20.431 16.350 16.350 285 1HH2 ARG 36 1HH2 ARG 36 -24.310 17.274 17.274 286 2HH2 ARG 36 2HH2 ARG 36 -23.122 18.532 18.532 287 H VAL 37 H VAL 37 -19.357 9.343 9.343 288 HA VAL 37 HA VAL 37 -19.879 8.146 8.146 289 HB VAL 37 HB VAL 37 -17.351 9.739 9.739 290 1HG1 VAL 37 3HG1 VAL 37 -17.681 7.704 7.704 291 2HG1 VAL 37 2HG1 VAL 37 -18.373 8.988 8.988 292 3HG1 VAL 37 1HG1 VAL 37 -16.711 9.117 9.117 293 1HG2 VAL 37 1HG2 VAL 37 -19.888 10.477 10.477 294 2HG2 VAL 37 3HG2 VAL 37 -19.164 11.332 11.332 295 3HG2 VAL 37 2HG2 VAL 37 -18.359 11.331 11.331 296 H ASN 38 H ASN 38 -19.694 6.066 6.066 297 HA ASN 38 HA ASN 38 -17.380 5.265 5.265 298 1HB ASN 38 2HB ASN 38 -19.535 3.406 3.406 299 2HB ASN 38 1HB ASN 38 -18.487 3.171 3.171 300 1HD2 ASN 38 2HD2 ASN 38 -21.812 4.198 4.198 301 2HD2 ASN 38 1HD2 ASN 38 -21.194 2.874 2.874 302 H THR 39 H THR 39 -15.953 5.902 5.902 303 HA THR 39 HA THR 39 -16.052 4.462 4.462 304 HB THR 39 HB THR 39 -13.767 6.098 6.098 305 HG1 THR 39 HG1 THR 39 -14.770 7.788 7.788 306 1HG2 THR 39 1HG2 THR 39 -14.320 4.762 4.762 307 2HG2 THR 39 3HG2 THR 39 -13.874 6.461 6.461 308 3HG2 THR 39 2HG2 THR 39 -12.791 5.344 5.344 309 H PHE 40 H PHE 40 -15.432 2.415 2.415 310 HA PHE 40 HA PHE 40 -13.296 1.300 1.300 311 1HB PHE 40 2HB PHE 40 -15.295 -0.168 -0.168 312 2HB PHE 40 1HB PHE 40 -14.270 -0.873 -0.873 313 HD1 PHE 40 HD1 PHE 40 -14.533 0.941 0.941 314 HD2 PHE 40 HD2 PHE 40 -17.504 -0.377 -0.377 315 HE1 PHE 40 HE1 PHE 40 -16.309 1.349 1.349 316 HE2 PHE 40 HE2 PHE 40 -19.277 0.032 0.032 317 HZ PHE 40 HZ PHE 40 -18.681 0.896 0.896 318 H ILE 41 H ILE 41 -11.751 -0.257 -0.257 319 HA ILE 41 HA ILE 41 -11.459 0.464 0.464 320 HB ILE 41 HB ILE 41 -9.078 -0.050 -0.050 321 1HG1 ILE 41 2HG1 ILE 41 -10.260 1.913 1.913 322 2HG1 ILE 41 1HG1 ILE 41 -8.767 2.404 2.404 323 1HG2 ILE 41 2HG2 ILE 41 -9.592 0.786 0.786 324 2HG2 ILE 41 1HG2 ILE 41 -8.250 1.583 1.583 325 3HG2 ILE 41 3HG2 ILE 41 -8.270 -0.174 -0.174 326 1HD1 ILE 41 2HD1 ILE 41 -10.726 2.451 2.451 327 2HD1 ILE 41 1HD1 ILE 41 -11.495 3.174 3.174 328 3HD1 ILE 41 3HD1 ILE 41 -9.987 3.843 3.843 329 H ILE 42 H ILE 42 -11.511 -1.311 -1.311 330 HA ILE 42 HA ILE 42 -11.254 -3.980 -3.980 331 HB ILE 42 HB ILE 42 -12.198 -4.810 -4.810 332 1HG1 ILE 42 2HG1 ILE 42 -12.817 -1.866 -1.866 333 2HG1 ILE 42 1HG1 ILE 42 -11.555 -2.727 -2.727 334 1HG2 ILE 42 1HG2 ILE 42 -13.609 -3.001 -3.001 335 2HG2 ILE 42 3HG2 ILE 42 -14.495 -3.625 -3.625 336 3HG2 ILE 42 2HG2 ILE 42 -13.779 -4.742 -4.742 337 1HD1 ILE 42 1HD1 ILE 42 -13.498 -4.438 -4.438 338 2HD1 ILE 42 3HD1 ILE 42 -14.529 -3.049 -3.049 339 3HD1 ILE 42 2HD1 ILE 42 -13.342 -2.966 -2.966 340 H SER 43 H SER 43 -9.094 -4.373 -4.373 341 HA SER 43 HA SER 43 -7.658 -5.284 -5.284 342 1HB SER 43 2HB SER 43 -7.462 -2.867 -2.867 343 2HB SER 43 1HB SER 43 -6.787 -2.602 -2.602 344 HG SER 43 HG SER 43 -5.254 -2.866 -2.866 345 H SER 44 H SER 44 -5.513 -6.112 -6.112 346 HA SER 44 HA SER 44 -5.431 -7.227 -7.227 347 1HB SER 44 2HB SER 44 -3.010 -7.802 -7.802 348 2HB SER 44 1HB SER 44 -4.286 -8.441 -8.441 349 HG SER 44 HG SER 44 -3.667 -7.153 -7.153 350 H ALA 45 H ALA 45 -4.693 -6.352 -6.352 351 HA ALA 45 HA ALA 45 -3.979 -3.646 -3.646 352 1HB ALA 45 2HB ALA 45 -3.995 -6.042 -6.042 353 2HB ALA 45 1HB ALA 45 -2.709 -4.924 -4.924 354 3HB ALA 45 3HB ALA 45 -4.383 -4.375 -4.375 355 H THR 46 H THR 46 -1.958 -6.347 -6.347 356 HA THR 46 HA THR 46 0.545 -5.043 -5.043 357 HB THR 46 HB THR 46 0.441 -7.450 -7.450 358 HG1 THR 46 HG1 THR 46 2.398 -6.426 -6.426 359 1HG2 THR 46 3HG2 THR 46 -0.578 -7.000 -7.000 360 2HG2 THR 46 2HG2 THR 46 0.424 -8.420 -8.420 361 3HG2 THR 46 1HG2 THR 46 -1.066 -8.203 -8.203 362 H THR 47 H THR 47 -1.415 -5.216 -5.216 363 HA THR 47 HA THR 47 0.587 -4.108 -4.108 364 HB THR 47 HB THR 47 -1.579 -3.282 -3.282 365 HG1 THR 47 HG1 THR 47 -3.048 -3.558 -3.558 366 1HG2 THR 47 3HG2 THR 47 -0.017 -5.362 -5.362 367 2HG2 THR 47 2HG2 THR 47 -1.390 -6.259 -6.259 368 3HG2 THR 47 1HG2 THR 47 -1.580 -5.292 -5.292 369 H VAL 48 H VAL 48 -1.903 -2.779 -2.779 370 HA VAL 48 HA VAL 48 -1.452 0.004 0.004 371 HB VAL 48 HB VAL 48 -2.490 -1.152 -1.152 372 1HG1 VAL 48 3HG1 VAL 48 -1.830 1.384 1.384 373 2HG1 VAL 48 2HG1 VAL 48 -3.397 1.413 1.413 374 3HG1 VAL 48 1HG1 VAL 48 -3.293 0.973 0.973 375 1HG2 VAL 48 1HG2 VAL 48 -3.702 -0.949 -0.949 376 2HG2 VAL 48 3HG2 VAL 48 -4.069 -2.066 -2.066 377 3HG2 VAL 48 2HG2 VAL 48 -4.716 -0.426 -0.426 378 H LYS 49 H LYS 49 -0.029 -2.345 -2.345 379 HA LYS 49 HA LYS 49 1.497 -0.543 -0.543 380 1HB LYS 49 2HB LYS 49 0.990 -2.921 -2.921 381 2HB LYS 49 1HB LYS 49 2.100 -3.440 -3.440 382 1HG LYS 49 2HG LYS 49 3.816 -1.886 -1.886 383 2HG LYS 49 1HG LYS 49 2.709 -2.036 -2.036 384 1HD LYS 49 2HD LYS 49 3.918 -3.914 -3.914 385 2HD LYS 49 1HD LYS 49 2.900 -4.643 -4.643 386 1HE LYS 49 2HE LYS 49 4.573 -4.287 -4.287 387 2HE LYS 49 1HE LYS 49 5.539 -3.288 -3.288 388 1HZ LYS 49 3HZ LYS 49 4.888 -6.109 -6.109 389 2HZ LYS 49 2HZ LYS 49 6.265 -5.672 -5.672 390 3HZ LYS 49 1HZ LYS 49 6.080 -5.133 -5.133 391 H ALA 50 H ALA 50 1.951 -1.802 -1.802 392 HA ALA 50 HA ALA 50 4.824 -1.281 -1.281 393 1HB ALA 50 2HB ALA 50 2.838 -2.506 -2.506 394 2HB ALA 50 1HB ALA 50 3.909 -1.427 -1.427 395 3HB ALA 50 3HB ALA 50 4.583 -2.748 -2.748 396 H ILE 51 H ILE 51 1.869 0.402 0.402 397 HA ILE 51 HA ILE 51 3.281 2.544 2.544 398 HB ILE 51 HB ILE 51 1.080 3.730 3.730 399 1HG1 ILE 51 2HG1 ILE 51 0.062 1.182 1.182 400 2HG1 ILE 51 1HG1 ILE 51 0.538 2.571 2.571 401 1HG2 ILE 51 2HG2 ILE 51 1.780 1.912 1.912 402 2HG2 ILE 51 1HG2 ILE 51 0.644 0.878 0.878 403 3HG2 ILE 51 3HG2 ILE 51 0.076 2.359 2.359 404 1HD1 ILE 51 3HD1 ILE 51 -1.297 3.076 3.076 405 2HD1 ILE 51 2HD1 ILE 51 -1.970 2.264 2.264 406 3HD1 ILE 51 1HD1 ILE 51 -1.232 3.857 3.857 407 H CYS 52 H CYS 52 2.590 1.902 1.902 408 HA CYS 52 HA CYS 52 3.178 4.715 4.715 409 1HB CYS 52 2HB CYS 52 1.288 2.940 2.940 410 2HB CYS 52 1HB CYS 52 2.569 2.824 2.824 411 H THR 53 H THR 53 5.182 2.638 2.638 412 HA THR 53 HA THR 53 6.855 2.247 2.247 413 HB THR 53 HB THR 53 7.487 1.349 1.349 414 HG1 THR 53 HG1 THR 53 6.526 -0.626 -0.626 415 1HG2 THR 53 2HG2 THR 53 9.222 1.380 1.380 416 2HG2 THR 53 1HG2 THR 53 8.276 0.073 0.073 417 3HG2 THR 53 3HG2 THR 53 9.015 -0.135 -0.135 418 H GLY 54 H GLY 54 8.179 3.917 3.917 419 1HA GLY 54 2HA GLY 54 9.982 5.046 5.046 420 2HA GLY 54 1HA GLY 54 8.798 6.202 6.202 421 H VAL 55 H VAL 55 8.631 6.033 6.033 422 HA VAL 55 HA VAL 55 11.210 5.498 5.498 423 HB VAL 55 HB VAL 55 11.238 7.834 7.834 424 1HG1 VAL 55 2HG1 VAL 55 8.860 8.277 8.277 425 2HG1 VAL 55 1HG1 VAL 55 9.850 8.853 8.853 426 3HG1 VAL 55 3HG1 VAL 55 10.014 9.584 9.584 427 1HG2 VAL 55 1HG2 VAL 55 12.478 6.834 6.834 428 2HG2 VAL 55 3HG2 VAL 55 12.899 8.339 8.339 429 3HG2 VAL 55 2HG2 VAL 55 11.818 8.366 8.366 430 H ILE 56 H ILE 56 10.706 6.721 6.721 431 HA ILE 56 HA ILE 56 8.389 5.137 5.137 432 HB ILE 56 HB ILE 56 10.622 5.088 5.088 433 1HG1 ILE 56 2HG1 ILE 56 8.515 6.178 6.178 434 2HG1 ILE 56 1HG1 ILE 56 8.351 4.598 4.598 435 1HG2 ILE 56 1HG2 ILE 56 11.148 7.499 7.499 436 2HG2 ILE 56 3HG2 ILE 56 9.857 7.882 7.882 437 3HG2 ILE 56 2HG2 ILE 56 11.265 6.967 6.967 438 1HD1 ILE 56 3HD1 ILE 56 10.655 4.044 4.044 439 2HD1 ILE 56 2HD1 ILE 56 10.545 5.525 5.525 440 3HD1 ILE 56 1HD1 ILE 56 9.389 4.219 4.219 441 H ASN 57 H ASN 57 8.008 7.687 7.687 442 HA ASN 57 HA ASN 57 5.690 8.776 8.776 443 1HB ASN 57 2HB ASN 57 7.592 9.602 9.602 444 2HB ASN 57 1HB ASN 57 7.915 10.760 10.760 445 1HD2 ASN 57 2HD2 ASN 57 4.979 12.654 12.654 446 2HD2 ASN 57 1HD2 ASN 57 6.311 12.405 12.405 447 H MET 58 H MET 58 4.853 9.236 9.236 448 HA MET 58 HA MET 58 6.098 11.320 11.320 449 1HB MET 58 2HB MET 58 7.022 8.781 8.781 450 2HB MET 58 1HB MET 58 5.667 8.853 8.853 451 1HG MET 58 2HG MET 58 6.785 11.273 11.273 452 2HG MET 58 1HG MET 58 8.223 10.360 10.360 453 1HE MET 58 1HE MET 58 7.717 11.758 11.758 454 2HE MET 58 3HE MET 58 7.279 10.778 10.778 455 3HE MET 58 2HE MET 58 6.031 11.349 11.349 456 H ASN 59 H ASN 59 4.834 11.095 11.095 457 HA ASN 59 HA ASN 59 1.957 10.492 10.492 458 1HB ASN 59 2HB ASN 59 3.151 13.190 13.190 459 2HB ASN 59 1HB ASN 59 1.773 12.863 12.863 460 1HD2 ASN 59 2HD2 ASN 59 -0.400 12.214 12.214 461 2HD2 ASN 59 1HD2 ASN 59 0.009 11.430 11.430 462 H VAL 60 H VAL 60 1.516 9.136 9.136 463 HA VAL 60 HA VAL 60 2.675 9.746 9.746 464 HB VAL 60 HB VAL 60 2.063 6.966 6.966 465 1HG1 VAL 60 1HG1 VAL 60 3.249 8.132 8.132 466 2HG1 VAL 60 3HG1 VAL 60 3.906 6.604 6.604 467 3HG1 VAL 60 2HG1 VAL 60 2.193 6.732 6.732 468 1HG2 VAL 60 2HG2 VAL 60 4.611 8.591 8.591 469 2HG2 VAL 60 1HG2 VAL 60 3.836 7.697 7.697 470 3HG2 VAL 60 3HG2 VAL 60 4.642 6.828 6.828 471 H LEU 61 H LEU 61 1.253 8.643 8.643 472 HA LEU 61 HA LEU 61 -1.582 8.415 8.415 473 1HB LEU 61 2HB LEU 61 -2.218 9.970 9.970 474 2HB LEU 61 1HB LEU 61 -1.480 10.739 10.739 475 HG LEU 61 HG LEU 61 0.327 9.812 9.812 476 1HD1 LEU 61 2HD1 LEU 61 -1.833 11.258 11.258 477 2HD1 LEU 61 1HD1 LEU 61 -0.751 12.562 12.562 478 3HD1 LEU 61 3HD1 LEU 61 -0.249 11.420 11.420 479 1HD2 LEU 61 1HD2 LEU 61 0.643 11.200 11.200 480 2HD2 LEU 61 3HD2 LEU 61 1.804 11.171 11.171 481 3HD2 LEU 61 2HD2 LEU 61 0.639 12.488 12.488 482 H SER 62 H SER 62 -2.418 6.647 6.647 483 HA SER 62 HA SER 62 -1.240 5.079 5.079 484 1HB SER 62 2HB SER 62 -3.850 4.355 4.355 485 2HB SER 62 1HB SER 62 -2.758 3.745 3.745 486 HG SER 62 HG SER 62 -3.900 4.773 4.773 487 H THR 63 H THR 63 -0.801 6.315 6.315 488 HA THR 63 HA THR 63 -2.805 8.094 8.094 489 HB THR 63 HB THR 63 -0.993 8.023 8.023 490 HG1 THR 63 HG1 THR 63 0.940 7.272 7.272 491 1HG2 THR 63 1HG2 THR 63 -1.450 9.947 9.947 492 2HG2 THR 63 3HG2 THR 63 -0.437 9.234 9.234 493 3HG2 THR 63 2HG2 THR 63 0.281 9.754 9.754 494 H THR 64 H THR 64 -1.430 4.903 4.903 495 HA THR 64 HA THR 64 -2.656 4.469 4.469 496 HB THR 64 HB THR 64 -2.595 1.960 1.960 497 HG1 THR 64 HG1 THR 64 -1.722 1.702 1.702 498 1HG2 THR 64 3HG2 THR 64 -0.521 3.853 3.853 499 2HG2 THR 64 2HG2 THR 64 0.107 2.399 2.399 500 3HG2 THR 64 1HG2 THR 64 -0.944 2.261 2.261 501 H ARG 65 H ARG 65 -3.898 2.364 2.364 502 HA ARG 65 HA ARG 65 -6.465 3.532 3.532 503 1HB ARG 65 2HB ARG 65 -7.824 2.085 2.085 504 2HB ARG 65 1HB ARG 65 -6.788 3.201 3.201 505 1HG ARG 65 2HG ARG 65 -5.118 1.061 1.061 506 2HG ARG 65 1HG ARG 65 -6.682 0.250 0.250 507 1HD ARG 65 2HD ARG 65 -7.131 1.809 1.809 508 2HD ARG 65 1HD ARG 65 -5.388 2.084 2.084 509 HE ARG 65 HE ARG 65 -6.654 -0.595 -0.595 510 1HH1 ARG 65 1HH2 ARG 65 -3.930 -1.007 -1.007 511 2HH1 ARG 65 2HH2 ARG 65 -3.005 -0.870 -0.870 512 1HH2 ARG 65 2HH1 ARG 65 -5.531 0.727 0.727 513 2HH2 ARG 65 1HH1 ARG 65 -3.914 0.110 0.110 514 H PHE 66 H PHE 66 -6.487 2.664 2.664 515 HA PHE 66 HA PHE 66 -6.070 -0.290 -0.290 516 1HB PHE 66 2HB PHE 66 -6.038 2.018 2.018 517 2HB PHE 66 1HB PHE 66 -6.182 0.352 0.352 518 HD1 PHE 66 HD2 PHE 66 -4.090 2.515 2.515 519 HD2 PHE 66 HD1 PHE 66 -4.230 -0.972 -0.972 520 HE1 PHE 66 HE2 PHE 66 -1.663 2.171 2.171 521 HE2 PHE 66 HE1 PHE 66 -1.803 -1.305 -1.305 522 HZ PHE 66 HZ PHE 66 -0.523 0.257 0.257 523 H GLN 67 H GLN 67 -8.393 0.392 0.392 524 HA GLN 67 HA GLN 67 -10.795 0.614 0.614 525 1HB GLN 67 2HB GLN 67 -9.896 -2.141 -2.141 526 2HB GLN 67 1HB GLN 67 -11.561 -1.755 -1.755 527 1HG GLN 67 2HG GLN 67 -11.069 -1.581 -1.581 528 2HG GLN 67 1HG GLN 67 -9.522 -0.794 -0.794 529 1HE2 GLN 67 2HE2 GLN 67 -9.687 -4.882 -4.882 530 2HE2 GLN 67 1HE2 GLN 67 -11.119 -3.996 -3.996 531 H LEU 68 H LEU 68 -11.907 1.847 1.847 532 HA LEU 68 HA LEU 68 -11.931 0.834 0.834 533 1HB LEU 68 2HB LEU 68 -13.046 3.112 3.112 534 2HB LEU 68 1HB LEU 68 -11.331 3.084 3.084 535 HG LEU 68 HG LEU 68 -11.716 3.898 3.898 536 1HD1 LEU 68 2HD1 LEU 68 -14.613 3.297 3.297 537 2HD1 LEU 68 1HD1 LEU 68 -14.161 4.458 4.458 538 3HD1 LEU 68 3HD1 LEU 68 -13.653 2.776 2.776 539 1HD2 LEU 68 2HD2 LEU 68 -11.919 5.489 5.489 540 2HD2 LEU 68 1HD2 LEU 68 -12.648 6.054 6.054 541 3HD2 LEU 68 3HD2 LEU 68 -13.664 5.396 5.396 542 H ASN 69 H ASN 69 -13.836 0.707 0.707 543 HA ASN 69 HA ASN 69 -16.378 0.357 0.357 544 1HB ASN 69 2HB ASN 69 -15.210 -1.715 -1.715 545 2HB ASN 69 1HB ASN 69 -15.899 -0.996 -0.996 546 1HD2 ASN 69 2HD2 ASN 69 -19.075 -2.316 -2.316 547 2HD2 ASN 69 1HD2 ASN 69 -17.952 -1.739 -1.739 548 H THR 70 H THR 70 -17.131 2.519 2.519 549 HA THR 70 HA THR 70 -17.071 3.440 3.440 550 HB THR 70 HB THR 70 -17.922 5.049 5.049 551 HG1 THR 70 HG1 THR 70 -15.889 5.340 5.340 552 1HG2 THR 70 2HG2 THR 70 -17.852 5.544 5.544 553 2HG2 THR 70 1HG2 THR 70 -16.526 6.462 6.462 554 3HG2 THR 70 3HG2 THR 70 -18.175 6.699 6.699 555 H CYS 71 H CYS 71 -18.753 3.439 3.439 556 HA CYS 71 HA CYS 71 -21.513 3.217 3.217 557 1HB CYS 71 2HB CYS 71 -20.493 2.524 2.524 558 2HB CYS 71 1HB CYS 71 -22.185 2.472 2.472 559 H THR 72 H THR 72 -22.112 5.367 5.367 560 HA THR 72 HA THR 72 -21.271 7.301 7.301 561 HB THR 72 HB THR 72 -22.619 7.942 7.942 562 HG1 THR 72 HG1 THR 72 -20.725 6.745 6.745 563 1HG2 THR 72 2HG2 THR 72 -20.988 9.478 9.478 564 2HG2 THR 72 1HG2 THR 72 -21.226 10.062 10.062 565 3HG2 THR 72 3HG2 THR 72 -22.614 9.830 9.830 566 H ARG 73 H ARG 73 -22.692 8.193 8.193 567 HA ARG 73 HA ARG 73 -25.403 7.287 7.287 568 1HB ARG 73 2HB ARG 73 -23.885 8.306 8.306 569 2HB ARG 73 1HB ARG 73 -24.255 9.875 9.875 570 1HG ARG 73 2HG ARG 73 -26.751 9.064 9.064 571 2HG ARG 73 1HG ARG 73 -26.068 7.986 7.986 572 1HD ARG 73 2HD ARG 73 -25.613 9.692 9.692 573 2HD ARG 73 1HD ARG 73 -25.157 10.802 10.802 574 HE ARG 73 HE ARG 73 -27.856 10.453 10.453 575 1HH1 ARG 73 1HH2 ARG 73 -28.822 10.424 10.424 576 2HH1 ARG 73 2HH2 ARG 73 -28.686 12.038 12.038 577 1HH2 ARG 73 2HH1 ARG 73 -26.402 13.042 13.042 578 2HH2 ARG 73 1HH1 ARG 73 -27.318 13.521 13.521 579 H THR 74 H THR 74 -26.819 7.716 7.716 580 HA THR 74 HA THR 74 -26.804 10.454 10.454 581 HB THR 74 HB THR 74 -28.271 9.255 9.255 582 HG1 THR 74 HG1 THR 74 -27.930 7.032 7.032 583 1HG2 THR 74 3HG2 THR 74 -25.683 9.888 9.888 584 2HG2 THR 74 2HG2 THR 74 -25.505 8.133 8.133 585 3HG2 THR 74 1HG2 THR 74 -26.362 8.948 8.948 586 H SER 75 H SER 75 -29.633 8.330 8.330 587 HA SER 75 HA SER 75 -31.143 9.445 9.445 588 1HB SER 75 2HB SER 75 -30.738 11.371 11.371 589 2HB SER 75 1HB SER 75 -32.158 10.610 10.610 590 HG SER 75 HG SER 75 -32.043 12.282 12.282 591 H ILE 76 H ILE 76 -33.626 9.188 9.188 592 HA ILE 76 HA ILE 76 -35.377 7.741 7.741 593 HB ILE 76 HB ILE 76 -33.597 6.871 6.871 594 1HG1 ILE 76 2HG1 ILE 76 -35.636 9.114 9.114 595 2HG1 ILE 76 1HG1 ILE 76 -33.908 9.390 9.390 596 1HG2 ILE 76 3HG2 ILE 76 -35.933 5.790 5.790 597 2HG2 ILE 76 2HG2 ILE 76 -36.559 7.126 7.126 598 3HG2 ILE 76 1HG2 ILE 76 -35.486 5.934 5.934 599 1HD1 ILE 76 2HD1 ILE 76 -33.506 8.190 8.190 600 2HD1 ILE 76 1HD1 ILE 76 -35.253 8.104 8.104 601 3HD1 ILE 76 3HD1 ILE 76 -34.446 9.672 9.672 602 H THR 77 H THR 77 -35.959 5.683 5.683 603 HA THR 77 HA THR 77 -35.723 3.566 3.566 604 HB THR 77 HB THR 77 -33.188 3.326 3.326 605 HG1 THR 77 HG1 THR 77 -35.881 2.961 2.961 606 1HG2 THR 77 1HG2 THR 77 -35.300 1.351 1.351 607 2HG2 THR 77 3HG2 THR 77 -33.929 0.957 0.957 608 3HG2 THR 77 2HG2 THR 77 -33.656 1.481 1.481 609 HA PRO 78 HA PRO 78 -32.291 5.279 5.279 610 1HB PRO 78 2HB PRO 78 -33.884 6.192 6.192 611 2HB PRO 78 1HB PRO 78 -33.363 7.203 7.203 612 1HG PRO 78 2HG PRO 78 -36.038 5.988 5.988 613 2HG PRO 78 1HG PRO 78 -35.628 7.461 7.461 614 1HD PRO 78 2HD PRO 78 -36.292 4.976 4.976 615 2HD PRO 78 1HD PRO 78 -35.515 6.337 6.337 616 H ARG 79 H ARG 79 -31.415 3.618 3.618 617 HA ARG 79 HA ARG 79 -33.269 1.933 1.933 618 1HB ARG 79 2HB ARG 79 -32.519 0.924 0.924 619 2HB ARG 79 1HB ARG 79 -30.923 0.778 0.778 620 1HG ARG 79 2HG ARG 79 -31.911 -0.539 -0.539 621 2HG ARG 79 1HG ARG 79 -33.492 -0.423 -0.423 622 1HD ARG 79 2HD ARG 79 -32.828 -2.438 -2.438 623 2HD ARG 79 1HD ARG 79 -32.087 -1.370 -1.370 624 HE ARG 79 HE ARG 79 -29.946 -1.633 -1.633 625 1HH1 ARG 79 1HH2 ARG 79 -31.937 -3.034 -3.034 626 2HH1 ARG 79 2HH2 ARG 79 -31.226 -4.614 -4.614 627 1HH2 ARG 79 2HH1 ARG 79 -29.282 -3.998 -3.998 628 2HH2 ARG 79 1HH1 ARG 79 -29.723 -5.159 -5.159 629 HA PRO 80 HA PRO 80 -32.861 4.348 4.348 630 1HB PRO 80 2HB PRO 80 -31.763 6.339 6.339 631 2HB PRO 80 1HB PRO 80 -32.799 5.071 5.071 632 1HG PRO 80 2HG PRO 80 -29.869 5.436 5.436 633 2HG PRO 80 1HG PRO 80 -30.988 4.528 4.528 634 1HD PRO 80 2HD PRO 80 -29.211 3.466 3.466 635 2HD PRO 80 1HD PRO 80 -30.406 2.574 2.574 636 H CYS 81 H CYS 81 -29.440 4.248 4.248 637 HA CYS 81 HA CYS 81 -29.450 6.751 6.751 638 1HB CYS 81 2HB CYS 81 -27.196 5.053 5.053 639 2HB CYS 81 1HB CYS 81 -26.951 6.438 6.438 640 HA PRO 82 HA PRO 82 -29.547 3.728 3.728 641 1HB PRO 82 2HB PRO 82 -29.990 5.540 5.540 642 2HB PRO 82 1HB PRO 82 -31.273 4.882 4.882 643 1HG PRO 82 2HG PRO 82 -30.029 7.589 7.589 644 2HG PRO 82 1HG PRO 82 -31.651 7.089 7.089 645 1HD PRO 82 2HD PRO 82 -29.478 7.619 7.619 646 2HD PRO 82 1HD PRO 82 -30.989 6.784 6.784 647 H TYR 83 H TYR 83 -27.956 3.090 3.090 648 HA TYR 83 HA TYR 83 -25.682 4.994 4.994 649 1HB TYR 83 2HB TYR 83 -25.551 2.160 2.160 650 2HB TYR 83 1HB TYR 83 -24.208 2.851 2.851 651 HD1 TYR 83 HD2 TYR 83 -26.475 3.556 3.556 652 HD2 TYR 83 HD1 TYR 83 -22.650 4.218 4.218 653 HE1 TYR 83 HE2 TYR 83 -25.734 4.802 4.802 654 HE2 TYR 83 HE1 TYR 83 -21.913 5.469 5.469 655 HH TYR 83 HH TYR 83 -23.559 5.370 5.370 656 H SER 84 H SER 84 -24.940 5.063 5.063 657 HA SER 84 HA SER 84 -26.088 3.138 3.138 658 1HB SER 84 2HB SER 84 -25.442 4.916 4.916 659 2HB SER 84 1HB SER 84 -26.625 5.474 5.474 660 HG SER 84 HG SER 84 -24.374 6.602 6.602 661 H SER 85 H SER 85 -24.647 1.513 1.513 662 HA SER 85 HA SER 85 -21.766 1.923 1.923 663 1HB SER 85 2HB SER 85 -23.101 -0.558 -0.558 664 2HB SER 85 1HB SER 85 -21.563 -0.433 -0.433 665 HG SER 85 HG SER 85 -22.963 -1.071 -1.071 666 H ARG 86 H ARG 86 -20.295 2.210 2.210 667 HA ARG 86 HA ARG 86 -20.925 1.592 1.592 668 1HB ARG 86 2HB ARG 86 -21.688 3.954 3.954 669 2HB ARG 86 1HB ARG 86 -20.040 4.366 4.366 670 1HG ARG 86 2HG ARG 86 -19.262 4.300 4.300 671 2HG ARG 86 1HG ARG 86 -20.278 2.924 2.924 672 1HD ARG 86 2HD ARG 86 -22.012 4.250 4.250 673 2HD ARG 86 1HD ARG 86 -21.709 5.467 5.467 674 HE ARG 86 HE ARG 86 -20.407 5.344 5.344 675 1HH1 ARG 86 2HH1 ARG 86 -18.149 6.344 6.344 676 2HH1 ARG 86 1HH1 ARG 86 -18.414 7.957 7.957 677 1HH2 ARG 86 1HH2 ARG 86 -21.858 7.600 7.600 678 2HH2 ARG 86 2HH2 ARG 86 -20.516 8.669 8.669 679 H THR 87 H THR 87 -19.150 0.645 0.645 680 HA THR 87 HA THR 87 -16.511 1.059 1.059 681 HB THR 87 HB THR 87 -17.285 -1.144 -1.144 682 HG1 THR 87 HG1 THR 87 -17.587 -2.371 -2.371 683 1HG2 THR 87 2HG2 THR 87 -14.838 -0.591 -0.591 684 2HG2 THR 87 1HG2 THR 87 -15.133 -1.088 -1.088 685 3HG2 THR 87 3HG2 THR 87 -15.326 -2.248 -2.248 686 H GLU 88 H GLU 88 -14.681 1.602 1.602 687 HA GLU 88 HA GLU 88 -14.676 1.768 1.768 688 1HB GLU 88 2HB GLU 88 -14.658 4.257 4.257 689 2HB GLU 88 1HB GLU 88 -16.211 3.629 3.629 690 1HG GLU 88 2HG GLU 88 -15.607 4.119 4.119 691 2HG GLU 88 1HG GLU 88 -14.039 4.734 4.734 692 H THR 89 H THR 89 -12.809 3.638 3.638 693 HA THR 89 HA THR 89 -10.339 2.547 2.547 694 HB THR 89 HB THR 89 -10.843 5.393 5.393 695 HG1 THR 89 HG1 THR 89 -10.837 4.564 4.564 696 1HG2 THR 89 2HG2 THR 89 -8.489 4.101 4.101 697 2HG2 THR 89 1HG2 THR 89 -8.425 4.072 4.072 698 3HG2 THR 89 3HG2 THR 89 -8.604 5.604 5.604 699 H ASN 90 H ASN 90 -8.963 3.040 3.040 700 HA ASN 90 HA ASN 90 -10.053 5.055 5.055 701 1HB ASN 90 2HB ASN 90 -10.033 2.710 2.710 702 2HB ASN 90 1HB ASN 90 -8.283 2.708 2.708 703 1HD2 ASN 90 2HD2 ASN 90 -9.551 5.517 5.517 704 2HD2 ASN 90 1HD2 ASN 90 -10.237 5.500 5.500 705 H TYR 91 H TYR 91 -8.962 6.807 6.807 706 HA TYR 91 HA TYR 91 -5.986 6.806 6.806 707 1HB TYR 91 2HB TYR 91 -6.329 9.269 9.269 708 2HB TYR 91 1HB TYR 91 -6.470 7.951 7.951 709 HD1 TYR 91 HD2 TYR 91 -8.677 7.212 7.212 710 HD2 TYR 91 HD1 TYR 91 -8.262 10.571 10.571 711 HE1 TYR 91 HE2 TYR 91 -10.979 7.931 7.931 712 HE2 TYR 91 HE1 TYR 91 -10.569 11.295 11.295 713 HH TYR 91 HH TYR 91 -12.683 10.204 10.204 714 H ILE 92 H ILE 92 -5.725 6.814 6.814 715 HA ILE 92 HA ILE 92 -7.008 9.113 9.113 716 HB ILE 92 HB ILE 92 -8.129 6.929 6.929 717 1HG1 ILE 92 2HG1 ILE 92 -6.669 7.956 7.956 718 2HG1 ILE 92 1HG1 ILE 92 -8.003 8.817 8.817 719 1HG2 ILE 92 1HG2 ILE 92 -6.118 5.499 5.499 720 2HG2 ILE 92 3HG2 ILE 92 -5.497 6.187 6.187 721 3HG2 ILE 92 2HG2 ILE 92 -6.975 5.225 5.225 722 1HD1 ILE 92 3HD1 ILE 92 -8.415 5.934 5.934 723 2HD1 ILE 92 2HD1 ILE 92 -8.437 7.083 7.083 724 3HD1 ILE 92 1HD1 ILE 92 -9.576 7.262 7.262 725 H CYS 93 H CYS 93 -5.935 9.684 9.684 726 HA CYS 93 HA CYS 93 -2.967 9.498 9.498 727 1HB CYS 93 2HB CYS 93 -4.110 11.753 11.753 728 2HB CYS 93 1HB CYS 93 -4.586 11.478 11.478 729 H VAL 94 H VAL 94 -2.094 8.017 8.017 730 HA VAL 94 HA VAL 94 -3.367 7.498 7.498 731 HB VAL 94 HB VAL 94 -3.069 5.523 5.523 732 1HG1 VAL 94 3HG1 VAL 94 -0.164 6.366 6.366 733 2HG1 VAL 94 2HG1 VAL 94 -0.664 4.738 4.738 734 3HG1 VAL 94 1HG1 VAL 94 -1.158 6.118 6.118 735 1HG2 VAL 94 3HG2 VAL 94 -2.764 5.524 5.524 736 2HG2 VAL 94 2HG2 VAL 94 -2.224 4.106 4.106 737 3HG2 VAL 94 1HG2 VAL 94 -1.050 5.304 5.304 738 H LYS 95 H LYS 95 -1.859 7.175 7.175 739 HA LYS 95 HA LYS 95 0.555 8.867 8.867 740 1HB LYS 95 2HB LYS 95 -1.226 9.918 9.918 741 2HB LYS 95 1HB LYS 95 -1.127 8.545 8.545 742 1HG LYS 95 2HG LYS 95 1.351 9.059 9.059 743 2HG LYS 95 1HG LYS 95 1.044 10.561 10.561 744 1HD LYS 95 2HD LYS 95 -0.863 10.142 10.142 745 2HD LYS 95 1HD LYS 95 0.806 10.190 10.190 746 1HE LYS 95 2HE LYS 95 1.075 12.303 12.303 747 2HE LYS 95 1HE LYS 95 -0.683 12.305 12.305 748 1HZ LYS 95 3HZ LYS 95 0.547 12.050 12.050 749 2HZ LYS 95 2HZ LYS 95 0.478 13.581 13.581 750 3HZ LYS 95 1HZ LYS 95 -0.952 12.715 12.715 751 H CYS 96 H CYS 96 2.510 8.073 8.073 752 HA CYS 96 HA CYS 96 2.286 5.239 5.239 753 1HB CYS 96 2HB CYS 96 4.868 6.225 6.225 754 2HB CYS 96 1HB CYS 96 4.137 4.627 4.627 755 H GLU 97 H GLU 97 2.899 4.793 4.793 756 HA GLU 97 HA GLU 97 5.114 6.310 6.310 757 1HB GLU 97 2HB GLU 97 3.119 7.122 7.122 758 2HB GLU 97 1HB GLU 97 2.498 5.487 5.487 759 1HG GLU 97 2HG GLU 97 4.308 4.946 4.946 760 2HG GLU 97 1HG GLU 97 5.091 6.495 6.495 761 H ASN 98 H ASN 98 6.511 4.835 4.835 762 HA ASN 98 HA ASN 98 7.544 2.698 2.698 763 1HB ASN 98 2HB ASN 98 4.664 2.320 2.320 764 2HB ASN 98 1HB ASN 98 5.515 0.843 0.843 765 1HD2 ASN 98 2HD2 ASN 98 7.823 1.141 1.141 766 2HD2 ASN 98 1HD2 ASN 98 7.876 0.810 0.810 767 H GLN 99 H GLN 99 6.365 3.730 3.730 768 HA GLN 99 HA GLN 99 6.630 3.138 3.138 769 1HB GLN 99 2HB GLN 99 7.464 0.384 0.384 770 2HB GLN 99 1HB GLN 99 7.654 1.000 1.000 771 1HG GLN 99 2HG GLN 99 8.936 2.969 2.969 772 2HG GLN 99 1HG GLN 99 9.141 1.763 1.763 773 1HE2 GLN 99 2HE2 GLN 99 11.087 1.278 1.278 774 2HE2 GLN 99 1HE2 GLN 99 9.836 2.419 2.419 775 H TYR 100 H TYR 100 4.441 1.483 1.483 776 HA TYR 100 HA TYR 100 2.991 0.396 0.396 777 1HB TYR 100 2HB TYR 100 2.203 -1.259 -1.259 778 2HB TYR 100 1HB TYR 100 3.395 -0.732 -0.732 779 HD1 TYR 100 HD2 TYR 100 -0.145 0.131 0.131 780 HD2 TYR 100 HD1 TYR 100 2.654 -0.300 -0.300 781 HE1 TYR 100 HE2 TYR 100 -1.951 0.625 0.625 782 HE2 TYR 100 HE1 TYR 100 0.848 0.197 0.197 783 HH TYR 100 HH TYR 100 -2.115 1.514 1.514 784 HA PRO 101 HA PRO 101 0.399 3.928 3.928 785 1HB PRO 101 2HB PRO 101 -2.022 2.819 2.819 786 2HB PRO 101 1HB PRO 101 -0.699 3.200 3.200 787 1HG PRO 101 2HG PRO 101 -1.500 0.537 0.537 788 2HG PRO 101 1HG PRO 101 -0.821 0.918 0.918 789 1HD PRO 101 2HD PRO 101 0.677 -0.151 -0.151 790 2HD PRO 101 1HD PRO 101 1.367 0.853 0.853 791 H VAL 102 H VAL 102 0.489 4.305 4.305 792 HA VAL 102 HA VAL 102 -1.272 2.848 2.848 793 HB VAL 102 HB VAL 102 0.712 5.109 5.109 794 1HG1 VAL 102 3HG1 VAL 102 -0.946 3.667 3.667 795 2HG1 VAL 102 2HG1 VAL 102 0.494 4.611 4.611 796 3HG1 VAL 102 1HG1 VAL 102 -0.910 5.399 5.399 797 1HG2 VAL 102 2HG2 VAL 102 1.155 2.425 2.425 798 2HG2 VAL 102 1HG2 VAL 102 2.258 3.517 3.517 799 3HG2 VAL 102 3HG2 VAL 102 1.126 2.537 2.537 800 H HIS 103 H HIS 103 -1.576 5.634 5.634 801 HA HIS 103 HA HIS 103 -4.044 6.412 6.412 802 1HB HIS 103 2HB HIS 103 -2.756 8.881 8.881 803 2HB HIS 103 1HB HIS 103 -3.063 8.209 8.209 804 HD1 HIS 103 HD1 HIS 103 -0.928 8.479 8.479 805 HD2 HIS 103 HD2 HIS 103 -0.155 7.128 7.128 806 HE1 HIS 103 HE1 HIS 103 1.561 7.991 7.991 807 H PHE 104 H PHE 104 -5.534 7.556 7.556 808 HA PHE 104 HA PHE 104 -4.614 7.388 7.388 809 1HB PHE 104 2HB PHE 104 -7.080 6.579 6.579 810 2HB PHE 104 1HB PHE 104 -7.459 8.114 8.114 811 HD1 PHE 104 HD2 PHE 104 -5.183 7.878 7.878 812 HD2 PHE 104 HD1 PHE 104 -8.253 5.174 5.174 813 HE1 PHE 104 HE2 PHE 104 -5.015 6.729 6.729 814 HE2 PHE 104 HE1 PHE 104 -8.117 4.002 4.002 815 HZ PHE 104 HZ PHE 104 -6.503 4.780 4.780 816 H ALA 105 H ALA 105 -4.046 9.247 9.247 817 HA ALA 105 HA ALA 105 -4.243 11.818 11.818 818 1HB ALA 105 3HB ALA 105 -2.555 10.940 10.940 819 2HB ALA 105 2HB ALA 105 -3.754 11.577 11.577 820 3HB ALA 105 1HB ALA 105 -2.992 12.647 12.647 821 H GLY 106 H GLY 106 -6.236 10.133 10.133 822 1HA GLY 106 2HA GLY 106 -8.665 10.975 10.975 823 2HA GLY 106 1HA GLY 106 -7.981 12.555 12.555 824 H ILE 107 H ILE 107 -9.126 12.741 12.741 825 HA ILE 107 HA ILE 107 -9.353 10.822 10.822 826 HB ILE 107 HB ILE 107 -9.688 12.801 12.801 827 1HG1 ILE 107 2HG1 ILE 107 -9.244 14.444 14.444 828 2HG1 ILE 107 1HG1 ILE 107 -7.973 14.195 14.195 829 1HG2 ILE 107 3HG2 ILE 107 -11.396 11.790 11.790 830 2HG2 ILE 107 2HG2 ILE 107 -11.133 13.291 13.291 831 3HG2 ILE 107 1HG2 ILE 107 -11.765 13.340 13.340 832 1HD1 ILE 107 3HD1 ILE 107 -10.694 15.175 15.175 833 2HD1 ILE 107 2HD1 ILE 107 -9.480 16.301 16.301 834 3HD1 ILE 107 1HD1 ILE 107 -9.154 15.347 15.347 835 H GLY 108 H GLY 108 -8.355 11.366 11.366 836 1HA GLY 108 2HA GLY 108 -5.611 10.609 10.609 837 2HA GLY 108 1HA GLY 108 -6.480 11.142 11.142 838 H ARG 109 H ARG 109 -7.019 13.722 13.722 839 HA ARG 109 HA ARG 109 -4.663 15.123 15.123 840 1HB ARG 109 2HB ARG 109 -7.330 16.035 16.035 841 2HB ARG 109 1HB ARG 109 -6.023 17.186 17.186 842 1HG ARG 109 2HG ARG 109 -5.859 16.463 16.463 843 2HG ARG 109 1HG ARG 109 -7.108 15.247 15.247 844 1HD ARG 109 2HD ARG 109 -8.422 16.940 16.940 845 2HD ARG 109 1HD ARG 109 -8.472 17.380 17.380 846 HE ARG 109 HE ARG 109 -6.660 19.038 19.038 847 1HH1 ARG 109 1HH2 ARG 109 -5.896 17.990 17.990 848 2HH1 ARG 109 2HH2 ARG 109 -6.692 19.108 19.108 849 1HH2 ARG 109 2HH1 ARG 109 -8.806 20.340 20.340 850 2HH2 ARG 109 1HH1 ARG 109 -8.338 20.434 20.434 851 H CYS 110 H CYS 110 -2.919 15.229 15.229 852 HA CYS 110 HA CYS 110 -3.256 15.951 15.951 853 1HB CYS 110 2HB CYS 110 -2.077 13.603 13.603 854 2HB CYS 110 1HB CYS 110 -0.789 14.541 14.541 855 HA PRO 111 HA PRO 111 -0.271 19.147 19.147 856 1HB PRO 111 2HB PRO 111 1.308 19.202 19.202 857 2HB PRO 111 1HB PRO 111 -0.355 19.813 19.813 858 1HG PRO 111 2HG PRO 111 0.695 17.293 17.293 859 2HG PRO 111 1HG PRO 111 -0.718 18.255 18.255 860 1HD PRO 111 1HD PRO 111 -0.770 15.863 15.863 861 2HD PRO 111 2HD PRO 111 -2.111 17.016 17.016 Start of MODEL 2 1 HN PCA 1 HN PCA 1 -4.136 3.164 3.164 2 HA PCA 1 HA PCA 1 -2.144 4.273 4.273 3 1HB PCA 1 1HB PCA 1 -2.581 5.088 5.088 4 2HB PCA 1 2HB PCA 1 -2.772 3.433 3.433 5 1HG PCA 1 1HG PCA 1 -4.814 5.385 5.385 6 2HG PCA 1 2HG PCA 1 -5.015 3.729 3.729 7 H ASN 2 H ASN 2 -3.859 1.416 1.416 8 HA ASN 2 HA ASN 2 -1.315 -0.098 -0.098 9 1HB ASN 2 2HB ASN 2 -2.780 -0.308 -0.308 10 2HB ASN 2 1HB ASN 2 -4.105 -0.839 -0.839 11 1HD2 ASN 2 2HD2 ASN 2 -0.939 -3.467 -3.467 12 2HD2 ASN 2 1HD2 ASN 2 -0.617 -1.807 -1.807 13 H TRP 3 H TRP 3 -1.145 -2.146 -2.146 14 HA TRP 3 HA TRP 3 -2.022 -1.996 -1.996 15 1HB TRP 3 2HB TRP 3 -0.124 -3.475 -3.475 16 2HB TRP 3 1HB TRP 3 -1.174 -4.669 -4.669 17 HD1 TRP 3 HD1 TRP 3 1.928 -3.195 -3.195 18 HE1 TRP 3 HE1 TRP 3 2.638 -3.187 -3.187 19 HE3 TRP 3 HE3 TRP 3 -2.638 -3.831 -3.831 20 HZ2 TRP 3 HZ2 TRP 3 1.468 -3.433 -3.433 21 HZ3 TRP 3 HZ3 TRP 3 -2.779 -3.964 -3.964 22 HH2 TRP 3 HH2 TRP 3 -0.730 -3.772 -3.772 23 H ALA 4 H ALA 4 -3.347 -3.585 -3.585 24 HA ALA 4 HA ALA 4 -4.996 -5.524 -5.524 25 1HB ALA 4 2HB ALA 4 -4.300 -4.951 -4.951 26 2HB ALA 4 1HB ALA 4 -6.059 -4.931 -4.931 27 3HB ALA 4 3HB ALA 4 -5.163 -6.357 -6.357 28 H THR 5 H THR 5 -5.982 -2.702 -2.702 29 HA THR 5 HA THR 5 -8.659 -2.588 -2.588 30 HB THR 5 HB THR 5 -7.071 -0.202 -0.202 31 HG1 THR 5 HG1 THR 5 -6.750 -1.600 -1.600 32 1HG2 THR 5 1HG2 THR 5 -9.806 -0.660 -0.660 33 2HG2 THR 5 3HG2 THR 5 -9.725 -0.388 -0.388 34 3HG2 THR 5 2HG2 THR 5 -9.068 0.812 0.812 35 H PHE 6 H PHE 6 -5.591 -1.304 -1.304 36 HA PHE 6 HA PHE 6 -6.748 0.349 0.349 37 1HB PHE 6 2HB PHE 6 -4.505 0.804 0.804 38 2HB PHE 6 1HB PHE 6 -3.950 -0.687 -0.687 39 HD1 PHE 6 HD2 PHE 6 -4.099 -0.947 -0.947 40 HD2 PHE 6 HD1 PHE 6 -4.752 2.847 2.847 41 HE1 PHE 6 HE2 PHE 6 -3.787 0.201 0.201 42 HE2 PHE 6 HE1 PHE 6 -4.442 4.004 4.004 43 HZ PHE 6 HZ PHE 6 -3.959 2.674 2.674 44 H GLN 7 H GLN 7 -5.836 -2.996 -2.996 45 HA GLN 7 HA GLN 7 -5.515 -3.801 -3.801 46 1HB GLN 7 2HB GLN 7 -5.209 -5.330 -5.330 47 2HB GLN 7 1HB GLN 7 -6.963 -5.366 -5.366 48 1HG GLN 7 2HG GLN 7 -6.537 -7.276 -7.276 49 2HG GLN 7 1HG GLN 7 -6.981 -6.072 -6.072 50 1HE2 GLN 7 2HE2 GLN 7 -3.558 -7.861 -7.861 51 2HE2 GLN 7 1HE2 GLN 7 -4.951 -8.509 -8.509 52 H GLN 8 H GLN 8 -8.322 -2.990 -2.990 53 HA GLN 8 HA GLN 8 -10.278 -3.735 -3.735 54 1HB GLN 8 2HB GLN 8 -10.400 -2.269 -2.269 55 2HB GLN 8 1HB GLN 8 -11.789 -2.300 -2.300 56 1HG GLN 8 2HG GLN 8 -12.344 -4.310 -4.310 57 2HG GLN 8 1HG GLN 8 -10.880 -4.972 -4.972 58 1HE2 GLN 8 2HE2 GLN 8 -10.974 -4.186 -4.186 59 2HE2 GLN 8 1HE2 GLN 8 -12.216 -3.617 -3.617 60 H LYS 9 H LYS 9 -8.621 -0.832 -0.832 61 HA LYS 9 HA LYS 9 -9.934 1.244 1.244 62 1HB LYS 9 2HB LYS 9 -8.031 1.632 1.632 63 2HB LYS 9 1HB LYS 9 -6.926 0.930 0.930 64 1HG LYS 9 2HG LYS 9 -6.804 3.334 3.334 65 2HG LYS 9 1HG LYS 9 -7.617 2.715 2.715 66 1HD LYS 9 2HD LYS 9 -8.813 4.672 4.672 67 2HD LYS 9 1HD LYS 9 -9.813 3.235 3.235 68 1HE LYS 9 2HE LYS 9 -9.394 3.143 3.143 69 2HE LYS 9 1HE LYS 9 -8.000 4.220 4.220 70 1HZ LYS 9 1HZ LYS 9 -9.627 5.946 5.946 71 2HZ LYS 9 3HZ LYS 9 -10.865 4.909 4.909 72 3HZ LYS 9 2HZ LYS 9 -9.748 5.521 5.521 73 H HIS 10 H HIS 10 -7.376 -0.803 -0.803 74 HA HIS 10 HA HIS 10 -8.036 0.280 0.280 75 1HB HIS 10 2HB HIS 10 -5.566 -0.667 -0.667 76 2HB HIS 10 1HB HIS 10 -5.866 -1.479 -1.479 77 HD1 HIS 10 HD1 HIS 10 -7.029 0.608 0.608 78 HD2 HIS 10 HD2 HIS 10 -3.926 1.455 1.455 79 HE1 HIS 10 HE1 HIS 10 -5.858 2.659 2.659 80 H ILE 11 H ILE 11 -8.653 -2.584 -2.584 81 HA ILE 11 HA ILE 11 -9.413 -3.913 -3.913 82 HB ILE 11 HB ILE 11 -8.028 -5.388 -5.388 83 1HG1 ILE 11 2HG1 ILE 11 -6.193 -5.386 -5.386 84 2HG1 ILE 11 1HG1 ILE 11 -6.959 -3.843 -3.843 85 1HG2 ILE 11 2HG2 ILE 11 -9.119 -6.056 -6.056 86 2HG2 ILE 11 1HG2 ILE 11 -7.616 -6.844 -6.844 87 3HG2 ILE 11 3HG2 ILE 11 -9.066 -7.033 -7.033 88 1HD1 ILE 11 2HD1 ILE 11 -6.096 -4.543 -4.543 89 2HD1 ILE 11 1HD1 ILE 11 -4.997 -3.781 -3.781 90 3HD1 ILE 11 3HD1 ILE 11 -6.470 -2.952 -2.952 91 H ILE 12 H ILE 12 -11.640 -3.166 -3.166 92 HA ILE 12 HA ILE 12 -12.782 -5.171 -5.171 93 HB ILE 12 HB ILE 12 -14.187 -2.795 -2.795 94 1HG1 ILE 12 2HG1 ILE 12 -12.879 -3.126 -3.126 95 2HG1 ILE 12 1HG1 ILE 12 -12.563 -1.882 -1.882 96 1HG2 ILE 12 2HG2 ILE 12 -15.405 -4.978 -4.978 97 2HG2 ILE 12 1HG2 ILE 12 -15.128 -4.285 -4.285 98 3HG2 ILE 12 3HG2 ILE 12 -16.069 -3.393 -3.393 99 1HD1 ILE 12 2HD1 ILE 12 -15.314 -1.671 -1.671 100 2HD1 ILE 12 1HD1 ILE 12 -14.555 -1.908 -1.908 101 3HD1 ILE 12 3HD1 ILE 12 -14.048 -0.569 -0.569 102 H ASN 13 H ASN 13 -11.983 -6.570 -6.570 103 HA ASN 13 HA ASN 13 -13.248 -6.488 -6.488 104 1HB ASN 13 2HB ASN 13 -12.265 -8.733 -8.733 105 2HB ASN 13 1HB ASN 13 -11.098 -7.596 -7.596 106 1HD2 ASN 13 2HD2 ASN 13 -12.003 -10.927 -10.927 107 2HD2 ASN 13 1HD2 ASN 13 -12.544 -10.662 -10.662 108 H THR 14 H THR 14 -15.489 -6.259 -6.259 109 HA THR 14 HA THR 14 -16.895 -8.846 -8.846 110 HB THR 14 HB THR 14 -18.433 -7.764 -7.764 111 HG1 THR 14 HG1 THR 14 -17.638 -5.725 -5.725 112 1HG2 THR 14 1HG2 THR 14 -16.865 -9.695 -9.695 113 2HG2 THR 14 3HG2 THR 14 -15.621 -8.536 -8.536 114 3HG2 THR 14 2HG2 THR 14 -17.091 -8.697 -8.697 115 HA PRO 15 HA PRO 15 -18.582 -5.352 -5.352 116 1HB PRO 15 2HB PRO 15 -18.190 -6.558 -6.558 117 2HB PRO 15 1HB PRO 15 -17.014 -5.478 -5.478 118 1HG PRO 15 2HG PRO 15 -16.964 -8.455 -8.455 119 2HG PRO 15 1HG PRO 15 -15.612 -7.313 -7.313 120 1HD PRO 15 2HD PRO 15 -16.550 -8.894 -8.894 121 2HD PRO 15 1HD PRO 15 -15.523 -7.454 -7.454 122 H ILE 16 H ILE 16 -20.548 -6.126 -6.126 123 HA ILE 16 HA ILE 16 -22.127 -8.001 -8.001 124 HB ILE 16 HB ILE 16 -23.379 -8.564 -8.564 125 1HG1 ILE 16 2HG1 ILE 16 -20.914 -7.318 -7.318 126 2HG1 ILE 16 1HG1 ILE 16 -22.517 -6.583 -6.583 127 1HG2 ILE 16 1HG2 ILE 16 -21.608 -9.996 -9.996 128 2HG2 ILE 16 3HG2 ILE 16 -20.435 -9.277 -9.277 129 3HG2 ILE 16 2HG2 ILE 16 -21.770 -10.240 -10.240 130 1HD1 ILE 16 1HD1 ILE 16 -22.519 -9.382 -9.382 131 2HD1 ILE 16 3HD1 ILE 16 -21.528 -8.329 -8.329 132 3HD1 ILE 16 2HD1 ILE 16 -23.232 -7.957 -7.957 133 H ILE 17 H ILE 17 -24.635 -7.533 -7.533 134 HA ILE 17 HA ILE 17 -25.048 -4.672 -4.672 135 HB ILE 17 HB ILE 17 -27.401 -6.464 -6.464 136 1HG1 ILE 17 2HG1 ILE 17 -25.918 -8.021 -8.021 137 2HG1 ILE 17 1HG1 ILE 17 -27.144 -7.431 -7.431 138 1HG2 ILE 17 2HG2 ILE 17 -27.350 -4.031 -4.031 139 2HG2 ILE 17 1HG2 ILE 17 -26.729 -4.689 -4.689 140 3HG2 ILE 17 3HG2 ILE 17 -28.319 -5.177 -5.177 141 1HD1 ILE 17 2HD1 ILE 17 -24.972 -5.603 -5.603 142 2HD1 ILE 17 1HD1 ILE 17 -24.279 -7.223 -7.223 143 3HD1 ILE 17 3HD1 ILE 17 -25.500 -6.742 -6.742 144 H ASN 18 H ASN 18 -24.007 -5.351 -5.351 145 HA ASN 18 HA ASN 18 -26.054 -3.976 -3.976 146 1HB ASN 18 2HB ASN 18 -24.769 -6.563 -6.563 147 2HB ASN 18 1HB ASN 18 -26.010 -5.625 -5.625 148 1HD2 ASN 18 2HD2 ASN 18 -28.602 -6.659 -6.659 149 2HD2 ASN 18 1HD2 ASN 18 -28.081 -5.276 -5.276 150 H CYS 19 H CYS 19 -24.679 -2.204 -2.204 151 HA CYS 19 HA CYS 19 -21.853 -2.563 -2.563 152 1HB CYS 19 2HB CYS 19 -23.468 0.014 0.014 153 2HB CYS 19 1HB CYS 19 -21.715 -0.145 -0.145 154 H ASN 20 H ASN 20 -24.734 -2.779 -2.779 155 HA ASN 20 HA ASN 20 -23.750 -1.454 -1.454 156 1HB ASN 20 2HB ASN 20 -25.870 -2.527 -2.527 157 2HB ASN 20 1HB ASN 20 -26.084 -1.260 -1.260 158 1HD2 ASN 20 2HD2 ASN 20 -27.562 -3.424 -3.424 159 2HD2 ASN 20 1HD2 ASN 20 -26.854 -1.902 -1.902 160 H THR 21 H THR 21 -24.678 -4.862 -4.862 161 HA THR 21 HA THR 21 -23.635 -5.937 -5.937 162 HB THR 21 HB THR 21 -23.586 -7.567 -7.567 163 HG1 THR 21 HG1 THR 21 -25.840 -7.801 -7.801 164 1HG2 THR 21 2HG2 THR 21 -24.096 -7.972 -7.972 165 2HG2 THR 21 1HG2 THR 21 -24.769 -9.106 -9.106 166 3HG2 THR 21 3HG2 THR 21 -23.024 -8.866 -8.866 167 H ILE 22 H ILE 22 -21.998 -4.955 -4.955 168 HA ILE 22 HA ILE 22 -19.516 -6.363 -6.363 169 HB ILE 22 HB ILE 22 -18.593 -5.397 -5.397 170 1HG1 ILE 22 2HG1 ILE 22 -21.231 -3.940 -3.940 171 2HG1 ILE 22 1HG1 ILE 22 -19.773 -3.160 -3.160 172 1HG2 ILE 22 1HG2 ILE 22 -20.150 -7.373 -7.373 173 2HG2 ILE 22 3HG2 ILE 22 -21.459 -6.255 -6.255 174 3HG2 ILE 22 2HG2 ILE 22 -20.101 -6.433 -6.433 175 1HD1 ILE 22 2HD1 ILE 22 -18.566 -3.816 -3.816 176 2HD1 ILE 22 1HD1 ILE 22 -20.055 -4.527 -4.527 177 3HD1 ILE 22 3HD1 ILE 22 -19.954 -2.788 -2.788 178 H MET 23 H MET 23 -20.893 -3.143 -3.143 179 HA MET 23 HA MET 23 -18.368 -2.063 -2.063 180 1HB MET 23 2HB MET 23 -19.739 -0.871 -0.871 181 2HB MET 23 1HB MET 23 -20.888 -0.494 -0.494 182 1HG MET 23 2HG MET 23 -18.683 0.289 0.289 183 2HG MET 23 1HG MET 23 -18.088 0.481 0.481 184 1HE MET 23 2HE MET 23 -20.492 1.507 1.507 185 2HE MET 23 1HE MET 23 -21.650 2.594 2.594 186 3HE MET 23 3HE MET 23 -21.677 0.867 0.867 187 H ASP 24 H ASP 24 -20.478 -3.915 -3.915 188 HA ASP 24 HA ASP 24 -21.711 -2.310 -2.310 189 1HB ASP 24 2HB ASP 24 -21.382 -5.245 -5.245 190 2HB ASP 24 1HB ASP 24 -21.857 -4.752 -4.752 191 H ASN 25 H ASN 25 -19.873 -1.120 -1.120 192 HA ASN 25 HA ASN 25 -18.459 -2.473 -2.473 193 1HB ASN 25 2HB ASN 25 -17.064 -3.020 -3.020 194 2HB ASN 25 1HB ASN 25 -16.808 -1.305 -1.305 195 1HD2 ASN 25 2HD2 ASN 25 -13.866 -1.963 -1.963 196 2HD2 ASN 25 1HD2 ASN 25 -14.456 -1.784 -1.784 197 H ASN 26 H ASN 26 -17.612 -0.982 -0.982 198 HA ASN 26 HA ASN 26 -18.722 1.705 1.705 199 1HB ASN 26 2HB ASN 26 -17.368 2.022 2.022 200 2HB ASN 26 1HB ASN 26 -18.443 0.625 0.625 201 1HD2 ASN 26 2HD2 ASN 26 -15.814 -1.722 -1.722 202 2HD2 ASN 26 1HD2 ASN 26 -17.487 -1.480 -1.480 203 H ILE 27 H ILE 27 -15.941 0.368 0.368 204 HA ILE 27 HA ILE 27 -14.317 2.811 2.811 205 HB ILE 27 HB ILE 27 -13.639 0.196 0.196 206 1HG1 ILE 27 2HG1 ILE 27 -12.155 2.033 2.033 207 2HG1 ILE 27 1HG1 ILE 27 -11.366 0.983 0.983 208 1HG2 ILE 27 1HG2 ILE 27 -14.508 0.326 0.326 209 2HG2 ILE 27 3HG2 ILE 27 -12.999 1.186 1.186 210 3HG2 ILE 27 2HG2 ILE 27 -12.962 -0.461 -0.461 211 1HD1 ILE 27 3HD1 ILE 27 -12.137 2.605 2.605 212 2HD1 ILE 27 2HD1 ILE 27 -12.611 3.696 3.696 213 3HD1 ILE 27 1HD1 ILE 27 -10.920 3.236 3.236 214 H TYR 28 H TYR 28 -17.066 2.292 2.292 215 HA TYR 28 HA TYR 28 -16.241 3.999 3.999 216 1HB TYR 28 2HB TYR 28 -17.877 1.450 1.450 217 2HB TYR 28 1HB TYR 28 -18.018 2.671 2.671 218 HD1 TYR 28 HD2 TYR 28 -15.549 3.603 3.603 219 HD2 TYR 28 HD1 TYR 28 -16.447 -0.300 -0.300 220 HE1 TYR 28 HE2 TYR 28 -13.532 2.697 2.697 221 HE2 TYR 28 HE1 TYR 28 -14.426 -1.203 -1.203 222 HH TYR 28 HH TYR 28 -12.691 0.534 0.534 223 H ILE 29 H ILE 29 -17.268 5.409 5.409 224 HA ILE 29 HA ILE 29 -20.089 5.956 5.956 225 HB ILE 29 HB ILE 29 -19.321 5.634 5.634 226 1HG1 ILE 29 2HG1 ILE 29 -20.877 3.717 3.717 227 2HG1 ILE 29 1HG1 ILE 29 -19.228 3.451 3.451 228 1HG2 ILE 29 1HG2 ILE 29 -21.737 6.451 6.451 229 2HG2 ILE 29 3HG2 ILE 29 -22.015 5.400 5.400 230 3HG2 ILE 29 2HG2 ILE 29 -21.203 6.951 6.951 231 1HD1 ILE 29 2HD1 ILE 29 -20.064 3.650 3.650 232 2HD1 ILE 29 1HD1 ILE 29 -21.706 3.715 3.715 233 3HD1 ILE 29 3HD1 ILE 29 -20.728 2.267 2.267 234 H VAL 30 H VAL 30 -20.817 8.012 8.012 235 HA VAL 30 HA VAL 30 -18.666 10.029 10.029 236 HB VAL 30 HB VAL 30 -21.390 10.386 10.386 237 1HG1 VAL 30 1HG1 VAL 30 -19.098 12.252 12.252 238 2HG1 VAL 30 3HG1 VAL 30 -20.205 12.570 12.570 239 3HG1 VAL 30 2HG1 VAL 30 -20.820 12.482 12.482 240 1HG2 VAL 30 1HG2 VAL 30 -18.589 9.987 9.987 241 2HG2 VAL 30 3HG2 VAL 30 -20.074 9.175 9.175 242 3HG2 VAL 30 2HG2 VAL 30 -19.796 10.855 10.855 243 H GLY 31 H GLY 31 -19.616 11.984 11.984 244 1HA GLY 31 2HA GLY 31 -21.090 10.869 10.869 245 2HA GLY 31 1HA GLY 31 -20.275 12.434 12.434 246 H GLY 32 H GLY 32 -22.820 10.861 10.861 247 1HA GLY 32 2HA GLY 32 -24.851 12.790 12.790 248 2HA GLY 32 1HA GLY 32 -24.277 13.030 13.030 249 H GLN 33 H GLN 33 -24.000 10.628 10.628 250 HA GLN 33 HA GLN 33 -26.084 8.704 8.704 251 1HB GLN 33 2HB GLN 33 -26.967 10.934 10.934 252 2HB GLN 33 1HB GLN 33 -26.733 9.712 9.712 253 1HG GLN 33 2HG GLN 33 -28.395 8.361 8.361 254 2HG GLN 33 1HG GLN 33 -28.082 8.813 8.813 255 1HE2 GLN 33 2HE2 GLN 33 -30.201 11.712 11.712 256 2HE2 GLN 33 1HE2 GLN 33 -28.836 11.064 11.064 257 H CYS 34 H CYS 34 -24.829 9.835 9.835 258 HA CYS 34 HA CYS 34 -22.971 7.566 7.566 259 1HB CYS 34 2HB CYS 34 -24.044 6.954 6.954 260 2HB CYS 34 1HB CYS 34 -24.884 6.410 6.410 261 H LYS 35 H LYS 35 -21.220 8.210 8.210 262 HA LYS 35 HA LYS 35 -20.846 10.897 10.897 263 1HB LYS 35 2HB LYS 35 -19.173 8.812 8.812 264 2HB LYS 35 1HB LYS 35 -19.301 8.794 8.794 265 1HG LYS 35 2HG LYS 35 -19.000 11.513 11.513 266 2HG LYS 35 1HG LYS 35 -17.868 10.659 10.659 267 1HD LYS 35 2HD LYS 35 -17.384 9.365 9.365 268 2HD LYS 35 1HD LYS 35 -17.873 10.934 10.934 269 1HE LYS 35 2HE LYS 35 -15.928 10.866 10.866 270 2HE LYS 35 1HE LYS 35 -15.345 10.472 10.472 271 1HZ LYS 35 1HZ LYS 35 -16.867 12.929 12.929 272 2HZ LYS 35 3HZ LYS 35 -15.178 12.856 12.856 273 3HZ LYS 35 2HZ LYS 35 -16.146 12.560 12.560 274 H ARG 36 H ARG 36 -20.234 11.494 11.494 275 HA ARG 36 HA ARG 36 -22.580 10.974 10.974 276 1HB ARG 36 2HB ARG 36 -21.572 12.663 12.663 277 2HB ARG 36 1HB ARG 36 -21.631 13.240 13.240 278 1HG ARG 36 2HG ARG 36 -19.176 11.988 11.988 279 2HG ARG 36 1HG ARG 36 -19.294 12.654 12.654 280 1HD ARG 36 2HD ARG 36 -18.564 14.586 14.586 281 2HD ARG 36 1HD ARG 36 -20.202 14.745 14.745 282 HE ARG 36 HE ARG 36 -18.675 13.124 13.124 283 1HH1 ARG 36 2HH1 ARG 36 -20.292 15.252 15.252 284 2HH1 ARG 36 1HH1 ARG 36 -19.143 16.468 16.468 285 1HH2 ARG 36 1HH2 ARG 36 -16.605 15.169 15.169 286 2HH2 ARG 36 2HH2 ARG 36 -17.055 16.419 16.419 287 H VAL 37 H VAL 37 -19.608 9.355 9.355 288 HA VAL 37 HA VAL 37 -20.133 7.785 7.785 289 HB VAL 37 HB VAL 37 -19.019 9.793 9.793 290 1HG1 VAL 37 3HG1 VAL 37 -17.511 10.110 10.110 291 2HG1 VAL 37 2HG1 VAL 37 -16.480 8.884 8.884 292 3HG1 VAL 37 1HG1 VAL 37 -16.796 10.396 10.396 293 1HG2 VAL 37 2HG2 VAL 37 -17.643 7.102 7.102 294 2HG2 VAL 37 1HG2 VAL 37 -18.791 7.773 7.773 295 3HG2 VAL 37 3HG2 VAL 37 -17.156 8.427 8.427 296 H ASN 38 H ASN 38 -19.799 5.820 5.820 297 HA ASN 38 HA ASN 38 -17.566 5.238 5.238 298 1HB ASN 38 2HB ASN 38 -19.778 3.353 3.353 299 2HB ASN 38 1HB ASN 38 -18.629 3.065 3.065 300 1HD2 ASN 38 2HD2 ASN 38 -21.968 4.459 4.459 301 2HD2 ASN 38 1HD2 ASN 38 -21.640 3.242 3.242 302 H THR 39 H THR 39 -15.997 5.605 5.605 303 HA THR 39 HA THR 39 -16.044 4.035 4.035 304 HB THR 39 HB THR 39 -13.740 5.668 5.668 305 HG1 THR 39 HG1 THR 39 -14.825 7.398 7.398 306 1HG2 THR 39 3HG2 THR 39 -13.513 4.117 4.117 307 2HG2 THR 39 2HG2 THR 39 -14.616 5.223 5.223 308 3HG2 THR 39 1HG2 THR 39 -13.057 5.806 5.806 309 H PHE 40 H PHE 40 -15.464 2.006 2.006 310 HA PHE 40 HA PHE 40 -13.378 0.902 0.902 311 1HB PHE 40 2HB PHE 40 -15.336 -0.587 -0.587 312 2HB PHE 40 1HB PHE 40 -14.362 -1.268 -1.268 313 HD1 PHE 40 HD1 PHE 40 -14.664 0.550 0.550 314 HD2 PHE 40 HD2 PHE 40 -17.586 -0.672 -0.672 315 HE1 PHE 40 HE1 PHE 40 -16.480 1.045 1.045 316 HE2 PHE 40 HE2 PHE 40 -19.399 -0.175 -0.175 317 HZ PHE 40 HZ PHE 40 -18.846 0.683 0.683 318 H ILE 41 H ILE 41 -11.751 -0.648 -0.648 319 HA ILE 41 HA ILE 41 -11.411 0.149 0.149 320 HB ILE 41 HB ILE 41 -9.228 -0.147 -0.147 321 1HG1 ILE 41 2HG1 ILE 41 -8.998 2.362 2.362 322 2HG1 ILE 41 1HG1 ILE 41 -10.737 2.137 2.137 323 1HG2 ILE 41 3HG2 ILE 41 -9.216 0.087 0.087 324 2HG2 ILE 41 2HG2 ILE 41 -7.986 0.978 0.978 325 3HG2 ILE 41 1HG2 ILE 41 -8.100 -0.774 -0.774 326 1HD1 ILE 41 3HD1 ILE 41 -10.531 1.200 1.200 327 2HD1 ILE 41 2HD1 ILE 41 -9.107 2.242 2.242 328 3HD1 ILE 41 1HD1 ILE 41 -10.698 2.925 2.925 329 H ILE 42 H ILE 42 -11.316 -1.527 -1.527 330 HA ILE 42 HA ILE 42 -11.042 -4.295 -4.295 331 HB ILE 42 HB ILE 42 -11.401 -3.659 -3.659 332 1HG1 ILE 42 2HG1 ILE 42 -13.714 -3.856 -3.856 333 2HG1 ILE 42 1HG1 ILE 42 -13.073 -2.310 -2.310 334 1HG2 ILE 42 2HG2 ILE 42 -12.326 -5.876 -5.876 335 2HG2 ILE 42 1HG2 ILE 42 -12.733 -5.767 -5.767 336 3HG2 ILE 42 3HG2 ILE 42 -11.054 -5.979 -5.979 337 1HD1 ILE 42 1HD1 ILE 42 -13.341 -3.445 -3.445 338 2HD1 ILE 42 3HD1 ILE 42 -14.549 -4.410 -4.410 339 3HD1 ILE 42 2HD1 ILE 42 -14.709 -2.654 -2.654 340 H SER 43 H SER 43 -8.946 -4.877 -4.877 341 HA SER 43 HA SER 43 -7.160 -5.268 -5.268 342 1HB SER 43 2HB SER 43 -6.978 -2.815 -2.815 343 2HB SER 43 1HB SER 43 -6.580 -2.779 -2.779 344 HG SER 43 HG SER 43 -4.607 -3.310 -3.310 345 H SER 44 H SER 44 -5.215 -6.289 -6.289 346 HA SER 44 HA SER 44 -5.301 -7.632 -7.632 347 1HB SER 44 2HB SER 44 -2.904 -8.313 -8.313 348 2HB SER 44 1HB SER 44 -4.202 -8.804 -8.804 349 HG SER 44 HG SER 44 -2.983 -7.803 -7.803 350 H ALA 45 H ALA 45 -4.506 -6.945 -6.945 351 HA ALA 45 HA ALA 45 -3.748 -4.324 -4.324 352 1HB ALA 45 1HB ALA 45 -3.107 -6.909 -6.909 353 2HB ALA 45 3HB ALA 45 -2.706 -5.331 -5.331 354 3HB ALA 45 2HB ALA 45 -4.388 -5.758 -5.758 355 H THR 46 H THR 46 -1.711 -6.905 -6.905 356 HA THR 46 HA THR 46 0.770 -5.520 -5.520 357 HB THR 46 HB THR 46 0.753 -7.912 -7.912 358 HG1 THR 46 HG1 THR 46 2.733 -7.386 -7.386 359 1HG2 THR 46 2HG2 THR 46 -0.470 -7.565 -7.565 360 2HG2 THR 46 1HG2 THR 46 0.759 -8.824 -8.824 361 3HG2 THR 46 3HG2 THR 46 -0.635 -8.893 -8.893 362 H THR 47 H THR 47 -1.229 -5.768 -5.768 363 HA THR 47 HA THR 47 0.694 -4.623 -4.623 364 HB THR 47 HB THR 47 -1.479 -3.784 -3.784 365 HG1 THR 47 HG1 THR 47 -3.328 -4.758 -4.758 366 1HG2 THR 47 2HG2 THR 47 -0.539 -6.584 -6.584 367 2HG2 THR 47 1HG2 THR 47 -2.038 -6.339 -6.339 368 3HG2 THR 47 3HG2 THR 47 -0.536 -5.612 -5.612 369 H VAL 48 H VAL 48 -1.656 -3.326 -3.326 370 HA VAL 48 HA VAL 48 -1.276 -0.536 -0.536 371 HB VAL 48 HB VAL 48 -2.117 -1.778 -1.778 372 1HG1 VAL 48 1HG1 VAL 48 -1.512 0.868 0.868 373 2HG1 VAL 48 3HG1 VAL 48 -3.269 0.798 0.798 374 3HG1 VAL 48 2HG1 VAL 48 -2.492 0.317 0.317 375 1HG2 VAL 48 2HG2 VAL 48 -3.536 -1.362 -1.362 376 2HG2 VAL 48 1HG2 VAL 48 -3.818 -2.566 -2.566 377 3HG2 VAL 48 3HG2 VAL 48 -4.420 -0.920 -0.920 378 H LYS 49 H LYS 49 0.287 -2.893 -2.893 379 HA LYS 49 HA LYS 49 1.921 -1.171 -1.171 380 1HB LYS 49 2HB LYS 49 1.567 -3.684 -3.684 381 2HB LYS 49 1HB LYS 49 2.756 -3.913 -3.913 382 1HG LYS 49 2HG LYS 49 4.144 -2.200 -2.200 383 2HG LYS 49 1HG LYS 49 3.136 -2.920 -2.920 384 1HD LYS 49 2HD LYS 49 4.836 -4.470 -4.470 385 2HD LYS 49 1HD LYS 49 3.865 -5.169 -5.169 386 1HE LYS 49 2HE LYS 49 5.794 -5.042 -5.042 387 2HE LYS 49 1HE LYS 49 5.355 -3.345 -3.345 388 1HZ LYS 49 1HZ LYS 49 7.052 -4.440 -4.440 389 2HZ LYS 49 3HZ LYS 49 7.627 -3.625 -3.625 390 3HZ LYS 49 2HZ LYS 49 6.662 -2.804 -2.804 391 H ALA 50 H ALA 50 2.138 -2.122 -2.122 392 HA ALA 50 HA ALA 50 4.950 -1.366 -1.366 393 1HB ALA 50 3HB ALA 50 2.885 -2.614 -2.614 394 2HB ALA 50 2HB ALA 50 3.867 -1.447 -1.447 395 3HB ALA 50 1HB ALA 50 4.637 -2.795 -2.795 396 H ILE 51 H ILE 51 1.758 0.107 0.107 397 HA ILE 51 HA ILE 51 2.794 2.409 2.409 398 HB ILE 51 HB ILE 51 0.404 1.633 1.633 399 1HG1 ILE 51 2HG1 ILE 51 -0.521 4.040 4.040 400 2HG1 ILE 51 1HG1 ILE 51 1.134 4.486 4.486 401 1HG2 ILE 51 3HG2 ILE 51 0.621 2.181 2.181 402 2HG2 ILE 51 2HG2 ILE 51 -0.719 3.065 3.065 403 3HG2 ILE 51 1HG2 ILE 51 -0.633 1.314 1.314 404 1HD1 ILE 51 2HD1 ILE 51 0.292 3.024 3.024 405 2HD1 ILE 51 1HD1 ILE 51 0.693 4.739 4.739 406 3HD1 ILE 51 3HD1 ILE 51 1.934 3.525 3.525 407 H CYS 52 H CYS 52 2.757 1.594 1.594 408 HA CYS 52 HA CYS 52 3.347 4.415 4.415 409 1HB CYS 52 2HB CYS 52 1.624 2.528 2.528 410 2HB CYS 52 1HB CYS 52 3.011 2.565 2.565 411 H THR 53 H THR 53 5.228 2.299 2.299 412 HA THR 53 HA THR 53 7.127 1.791 1.791 413 HB THR 53 HB THR 53 7.558 1.315 1.315 414 HG1 THR 53 HG1 THR 53 6.870 -0.840 -0.840 415 1HG2 THR 53 1HG2 THR 53 9.458 1.274 1.274 416 2HG2 THR 53 3HG2 THR 53 8.706 -0.226 -0.226 417 3HG2 THR 53 2HG2 THR 53 9.316 -0.094 -0.094 418 H GLY 54 H GLY 54 8.361 3.482 3.482 419 1HA GLY 54 2HA GLY 54 10.003 4.946 4.946 420 2HA GLY 54 1HA GLY 54 8.804 5.950 5.950 421 H VAL 55 H VAL 55 8.808 5.544 5.544 422 HA VAL 55 HA VAL 55 11.358 4.803 4.803 423 HB VAL 55 HB VAL 55 11.599 7.176 7.176 424 1HG1 VAL 55 3HG1 VAL 55 9.383 7.896 7.896 425 2HG1 VAL 55 2HG1 VAL 55 10.421 8.153 8.153 426 3HG1 VAL 55 1HG1 VAL 55 10.724 9.034 9.034 427 1HG2 VAL 55 2HG2 VAL 55 12.784 5.916 5.916 428 2HG2 VAL 55 1HG2 VAL 55 13.422 7.294 7.294 429 3HG2 VAL 55 3HG2 VAL 55 12.454 7.558 7.558 430 H ILE 56 H ILE 56 11.009 6.152 6.152 431 HA ILE 56 HA ILE 56 8.626 4.705 4.705 432 HB ILE 56 HB ILE 56 10.914 4.540 4.540 433 1HG1 ILE 56 2HG1 ILE 56 8.724 5.530 5.530 434 2HG1 ILE 56 1HG1 ILE 56 8.751 3.923 3.923 435 1HG2 ILE 56 2HG2 ILE 56 10.941 7.258 7.258 436 2HG2 ILE 56 1HG2 ILE 56 10.410 7.011 7.011 437 3HG2 ILE 56 3HG2 ILE 56 11.933 6.314 6.314 438 1HD1 ILE 56 2HD1 ILE 56 11.320 4.302 4.302 439 2HD1 ILE 56 1HD1 ILE 56 10.177 4.882 4.882 440 3HD1 ILE 56 3HD1 ILE 56 10.048 3.236 3.236 441 H ASN 57 H ASN 57 8.341 7.256 7.256 442 HA ASN 57 HA ASN 57 6.145 8.493 8.493 443 1HB ASN 57 2HB ASN 57 8.124 9.224 9.224 444 2HB ASN 57 1HB ASN 57 8.549 10.295 10.295 445 1HD2 ASN 57 2HD2 ASN 57 5.714 11.516 11.516 446 2HD2 ASN 57 1HD2 ASN 57 6.905 10.366 10.366 447 H MET 58 H MET 58 5.175 9.164 9.164 448 HA MET 58 HA MET 58 6.545 11.069 11.069 449 1HB MET 58 2HB MET 58 6.490 8.184 8.184 450 2HB MET 58 1HB MET 58 5.956 9.237 9.237 451 1HG MET 58 2HG MET 58 8.285 10.408 10.408 452 2HG MET 58 1HG MET 58 8.625 8.716 8.716 453 1HE MET 58 2HE MET 58 9.635 8.119 8.119 454 2HE MET 58 1HE MET 58 9.398 8.395 8.395 455 3HE MET 58 3HE MET 58 10.462 9.458 9.458 456 H ASN 59 H ASN 59 5.205 11.320 11.320 457 HA ASN 59 HA ASN 59 2.267 11.012 11.012 458 1HB ASN 59 2HB ASN 59 3.092 13.353 13.353 459 2HB ASN 59 1HB ASN 59 3.582 13.519 13.519 460 1HD2 ASN 59 2HD2 ASN 59 -0.315 13.949 13.949 461 2HD2 ASN 59 1HD2 ASN 59 0.878 13.655 13.655 462 H VAL 60 H VAL 60 1.656 9.683 9.683 463 HA VAL 60 HA VAL 60 2.774 10.246 10.246 464 HB VAL 60 HB VAL 60 3.875 8.268 8.268 465 1HG1 VAL 60 3HG1 VAL 60 1.759 7.687 7.687 466 2HG1 VAL 60 2HG1 VAL 60 1.196 6.882 6.882 467 3HG1 VAL 60 1HG1 VAL 60 2.679 6.344 6.344 468 1HG2 VAL 60 2HG2 VAL 60 3.183 8.473 8.473 469 2HG2 VAL 60 1HG2 VAL 60 3.751 6.918 6.918 470 3HG2 VAL 60 3HG2 VAL 60 2.025 7.205 7.205 471 H LEU 61 H LEU 61 1.323 9.185 9.185 472 HA LEU 61 HA LEU 61 -1.523 9.092 9.092 473 1HB LEU 61 2HB LEU 61 -0.324 10.696 10.696 474 2HB LEU 61 1HB LEU 61 -2.034 10.273 10.273 475 HG LEU 61 HG LEU 61 -1.564 11.242 11.242 476 1HD1 LEU 61 1HD1 LEU 61 0.650 12.057 12.057 477 2HD1 LEU 61 3HD1 LEU 61 -0.437 13.383 13.383 478 3HD1 LEU 61 2HD1 LEU 61 -0.109 13.010 13.010 479 1HD2 LEU 61 2HD2 LEU 61 -2.737 12.392 12.392 480 2HD2 LEU 61 1HD2 LEU 61 -3.565 11.841 11.841 481 3HD2 LEU 61 3HD2 LEU 61 -2.683 13.367 13.367 482 H SER 62 H SER 62 -2.590 7.361 7.361 483 HA SER 62 HA SER 62 -1.396 5.342 5.342 484 1HB SER 62 2HB SER 62 -4.367 5.539 5.539 485 2HB SER 62 1HB SER 62 -3.323 4.154 4.154 486 HG SER 62 HG SER 62 -3.717 4.536 4.536 487 H THR 63 H THR 63 -0.695 6.293 6.293 488 HA THR 63 HA THR 63 -2.493 8.007 8.007 489 HB THR 63 HB THR 63 -0.506 7.744 7.744 490 HG1 THR 63 HG1 THR 63 1.419 7.203 7.203 491 1HG2 THR 63 3HG2 THR 63 -0.697 9.242 9.242 492 2HG2 THR 63 2HG2 THR 63 0.870 9.250 9.250 493 3HG2 THR 63 1HG2 THR 63 -0.559 9.846 9.846 494 H THR 64 H THR 64 -1.027 4.773 4.773 495 HA THR 64 HA THR 64 -2.049 4.144 4.144 496 HB THR 64 HB THR 64 -1.639 2.301 2.301 497 HG1 THR 64 HG1 THR 64 0.390 2.290 2.290 498 1HG2 THR 64 1HG2 THR 64 -2.432 1.829 1.829 499 2HG2 THR 64 3HG2 THR 64 -1.127 0.807 0.807 500 3HG2 THR 64 2HG2 THR 64 -2.688 0.823 0.823 501 H ARG 65 H ARG 65 -3.581 2.185 2.185 502 HA ARG 65 HA ARG 65 -6.125 3.364 3.364 503 1HB ARG 65 2HB ARG 65 -7.429 2.004 2.004 504 2HB ARG 65 1HB ARG 65 -6.352 3.162 3.162 505 1HG ARG 65 2HG ARG 65 -4.802 0.835 0.835 506 2HG ARG 65 1HG ARG 65 -6.377 0.266 0.266 507 1HD ARG 65 2HD ARG 65 -5.975 2.406 2.406 508 2HD ARG 65 1HD ARG 65 -4.327 1.812 1.812 509 HE ARG 65 HE ARG 65 -6.356 -0.225 -0.225 510 1HH1 ARG 65 1HH2 ARG 65 -3.196 0.352 0.352 511 2HH1 ARG 65 2HH2 ARG 65 -3.143 0.206 0.206 512 1HH2 ARG 65 2HH1 ARG 65 -6.594 0.248 0.248 513 2HH2 ARG 65 1HH1 ARG 65 -5.072 0.143 0.143 514 H PHE 66 H PHE 66 -6.241 2.412 2.412 515 HA PHE 66 HA PHE 66 -5.866 -0.549 -0.549 516 1HB PHE 66 2HB PHE 66 -6.089 1.661 1.661 517 2HB PHE 66 1HB PHE 66 -6.035 -0.049 -0.049 518 HD1 PHE 66 HD1 PHE 66 -4.128 2.713 2.713 519 HD2 PHE 66 HD2 PHE 66 -3.966 -1.299 -1.299 520 HE1 PHE 66 HE1 PHE 66 -1.663 2.711 2.711 521 HE2 PHE 66 HE2 PHE 66 -1.503 -1.279 -1.279 522 HZ PHE 66 HZ PHE 66 -0.353 0.719 0.719 523 H GLN 67 H GLN 67 -8.138 0.168 0.168 524 HA GLN 67 HA GLN 67 -10.549 0.363 0.363 525 1HB GLN 67 2HB GLN 67 -9.578 -2.381 -2.381 526 2HB GLN 67 1HB GLN 67 -11.297 -2.063 -2.063 527 1HG GLN 67 2HG GLN 67 -9.151 -1.391 -1.391 528 2HG GLN 67 1HG GLN 67 -10.139 -2.851 -2.851 529 1HE2 GLN 67 2HE2 GLN 67 -11.639 0.312 0.312 530 2HE2 GLN 67 1HE2 GLN 67 -9.991 -0.046 -0.046 531 H LEU 68 H LEU 68 -11.705 1.597 1.597 532 HA LEU 68 HA LEU 68 -11.840 0.587 0.587 533 1HB LEU 68 2HB LEU 68 -13.057 2.834 2.834 534 2HB LEU 68 1HB LEU 68 -11.328 2.854 2.854 535 HG LEU 68 HG LEU 68 -11.630 3.624 3.624 536 1HD1 LEU 68 3HD1 LEU 68 -14.539 2.969 2.969 537 2HD1 LEU 68 2HD1 LEU 68 -14.044 4.091 4.091 538 3HD1 LEU 68 1HD1 LEU 68 -13.498 2.416 2.416 539 1HD2 LEU 68 3HD2 LEU 68 -12.102 5.185 5.185 540 2HD2 LEU 68 2HD2 LEU 68 -12.476 5.769 5.769 541 3HD2 LEU 68 1HD2 LEU 68 -13.762 5.152 5.152 542 H ASN 69 H ASN 69 -13.778 0.400 0.400 543 HA ASN 69 HA ASN 69 -16.260 -0.057 -0.057 544 1HB ASN 69 2HB ASN 69 -15.124 -2.053 -2.053 545 2HB ASN 69 1HB ASN 69 -15.856 -1.265 -1.265 546 1HD2 ASN 69 2HD2 ASN 69 -18.296 -3.004 -3.004 547 2HD2 ASN 69 1HD2 ASN 69 -16.693 -2.626 -2.626 548 H THR 70 H THR 70 -17.238 1.992 1.992 549 HA THR 70 HA THR 70 -17.143 3.108 3.108 550 HB THR 70 HB THR 70 -18.005 4.572 4.572 551 HG1 THR 70 HG1 THR 70 -15.972 4.832 4.832 552 1HG2 THR 70 1HG2 THR 70 -18.498 5.491 5.491 553 2HG2 THR 70 3HG2 THR 70 -16.760 5.539 5.539 554 3HG2 THR 70 2HG2 THR 70 -17.472 6.526 6.526 555 H CYS 71 H CYS 71 -18.830 2.994 2.994 556 HA CYS 71 HA CYS 71 -21.588 2.742 2.742 557 1HB CYS 71 2HB CYS 71 -20.636 2.416 2.416 558 2HB CYS 71 1HB CYS 71 -22.294 2.214 2.214 559 H THR 72 H THR 72 -22.140 4.858 4.858 560 HA THR 72 HA THR 72 -21.196 7.004 7.004 561 HB THR 72 HB THR 72 -22.617 7.423 7.423 562 HG1 THR 72 HG1 THR 72 -20.921 6.026 6.026 563 1HG2 THR 72 2HG2 THR 72 -20.779 9.007 9.007 564 2HG2 THR 72 1HG2 THR 72 -20.883 9.372 9.372 565 3HG2 THR 72 3HG2 THR 72 -22.322 9.485 9.485 566 H ARG 73 H ARG 73 -22.510 8.371 8.371 567 HA ARG 73 HA ARG 73 -25.144 7.618 7.618 568 1HB ARG 73 2HB ARG 73 -23.647 9.065 9.065 569 2HB ARG 73 1HB ARG 73 -23.811 10.341 10.341 570 1HG ARG 73 2HG ARG 73 -26.359 10.128 10.128 571 2HG ARG 73 1HG ARG 73 -25.915 9.244 9.244 572 1HD ARG 73 2HD ARG 73 -25.242 11.130 11.130 573 2HD ARG 73 1HD ARG 73 -24.394 11.738 11.738 574 HE ARG 73 HE ARG 73 -27.361 11.992 11.992 575 1HH1 ARG 73 1HH2 ARG 73 -24.991 12.765 12.765 576 2HH1 ARG 73 2HH2 ARG 73 -25.199 14.484 14.484 577 1HH2 ARG 73 1HH1 ARG 73 -26.520 15.412 15.412 578 2HH2 ARG 73 2HH1 ARG 73 -27.316 14.402 14.402 579 H THR 74 H THR 74 -27.121 8.081 8.081 580 HA THR 74 HA THR 74 -27.189 10.042 10.042 581 HB THR 74 HB THR 74 -29.050 8.446 8.446 582 HG1 THR 74 HG1 THR 74 -28.638 6.277 6.277 583 1HG2 THR 74 1HG2 THR 74 -26.076 8.005 8.005 584 2HG2 THR 74 3HG2 THR 74 -27.149 6.909 6.909 585 3HG2 THR 74 2HG2 THR 74 -27.134 8.628 8.628 586 H SER 75 H SER 75 -30.065 8.274 8.274 587 HA SER 75 HA SER 75 -30.980 10.202 10.202 588 1HB SER 75 2HB SER 75 -32.847 11.080 11.080 589 2HB SER 75 1HB SER 75 -31.237 11.760 11.760 590 HG SER 75 HG SER 75 -32.376 9.624 9.624 591 H ILE 76 H ILE 76 -32.304 8.988 8.988 592 HA ILE 76 HA ILE 76 -34.453 7.379 7.379 593 HB ILE 76 HB ILE 76 -32.462 5.846 5.846 594 1HG1 ILE 76 2HG1 ILE 76 -34.260 4.730 4.730 595 2HG1 ILE 76 1HG1 ILE 76 -35.027 5.287 5.287 596 1HG2 ILE 76 3HG2 ILE 76 -31.674 6.960 6.960 597 2HG2 ILE 76 2HG2 ILE 76 -32.659 5.685 5.685 598 3HG2 ILE 76 1HG2 ILE 76 -31.309 5.270 5.270 599 1HD1 ILE 76 1HD1 ILE 76 -32.613 3.757 3.757 600 2HD1 ILE 76 3HD1 ILE 76 -33.760 2.819 2.819 601 3HD1 ILE 76 2HD1 ILE 76 -34.257 3.510 3.510 602 H THR 77 H THR 77 -36.154 7.067 7.067 603 HA THR 77 HA THR 77 -36.084 8.786 8.786 604 HB THR 77 HB THR 77 -38.485 7.234 7.234 605 HG1 THR 77 HG1 THR 77 -37.804 8.285 8.285 606 1HG2 THR 77 3HG2 THR 77 -37.813 9.790 9.790 607 2HG2 THR 77 2HG2 THR 77 -38.439 9.949 9.949 608 3HG2 THR 77 1HG2 THR 77 -39.467 9.295 9.295 609 HA PRO 78 HA PRO 78 -36.706 4.687 4.687 610 1HB PRO 78 2HB PRO 78 -36.505 2.319 2.319 611 2HB PRO 78 1HB PRO 78 -38.031 3.177 3.177 612 1HG PRO 78 2HG PRO 78 -36.391 2.993 2.993 613 2HG PRO 78 1HG PRO 78 -38.138 3.228 3.228 614 1HD PRO 78 2HD PRO 78 -36.280 5.249 5.249 615 2HD PRO 78 1HD PRO 78 -37.935 5.514 5.514 616 H ARG 79 H ARG 79 -35.202 2.690 2.690 617 HA ARG 79 HA ARG 79 -32.406 3.537 3.537 618 1HB ARG 79 2HB ARG 79 -33.780 2.063 2.063 619 2HB ARG 79 1HB ARG 79 -32.051 1.824 1.824 620 1HG ARG 79 2HG ARG 79 -31.529 3.930 3.930 621 2HG ARG 79 1HG ARG 79 -32.941 4.646 4.646 622 1HD ARG 79 2HD ARG 79 -33.797 2.920 2.920 623 2HD ARG 79 1HD ARG 79 -32.602 4.071 4.071 624 HE ARG 79 HE ARG 79 -35.256 4.751 4.751 625 1HH1 ARG 79 1HH2 ARG 79 -32.614 6.410 6.410 626 2HH1 ARG 79 2HH2 ARG 79 -32.861 7.746 7.746 627 1HH2 ARG 79 2HH1 ARG 79 -35.383 6.189 6.189 628 2HH2 ARG 79 1HH1 ARG 79 -34.426 7.623 7.623 629 HA PRO 80 HA PRO 80 -30.453 2.227 2.227 630 1HB PRO 80 2HB PRO 80 -28.225 1.609 1.609 631 2HB PRO 80 1HB PRO 80 -28.900 0.546 0.546 632 1HG PRO 80 2HG PRO 80 -29.067 0.301 0.301 633 2HG PRO 80 1HG PRO 80 -29.072 -0.970 -0.970 634 1HD PRO 80 2HD PRO 80 -31.343 -0.013 -0.013 635 2HD PRO 80 1HD PRO 80 -31.362 -0.944 -0.944 636 H CYS 81 H CYS 81 -28.424 3.700 3.700 637 HA CYS 81 HA CYS 81 -29.565 5.950 5.950 638 1HB CYS 81 2HB CYS 81 -26.759 4.964 4.964 639 2HB CYS 81 1HB CYS 81 -27.024 6.350 6.350 640 HA PRO 82 HA PRO 82 -29.714 4.838 4.838 641 1HB PRO 82 2HB PRO 82 -29.223 7.233 7.233 642 2HB PRO 82 1HB PRO 82 -30.764 6.832 6.832 643 1HG PRO 82 2HG PRO 82 -28.591 8.639 8.639 644 2HG PRO 82 1HG PRO 82 -30.331 8.703 8.703 645 1HD PRO 82 2HD PRO 82 -28.377 7.737 7.737 646 2HD PRO 82 1HD PRO 82 -30.122 7.439 7.439 647 H TYR 83 H TYR 83 -28.206 3.790 3.790 648 HA TYR 83 HA TYR 83 -25.595 5.088 5.088 649 1HB TYR 83 2HB TYR 83 -25.914 2.558 2.558 650 2HB TYR 83 1HB TYR 83 -24.521 2.754 2.754 651 HD1 TYR 83 HD1 TYR 83 -26.354 4.274 4.274 652 HD2 TYR 83 HD2 TYR 83 -22.745 4.195 4.195 653 HE1 TYR 83 HE1 TYR 83 -25.239 5.727 5.727 654 HE2 TYR 83 HE2 TYR 83 -21.642 5.646 5.646 655 HH TYR 83 HH TYR 83 -21.810 6.379 6.379 656 H SER 84 H SER 84 -24.864 4.577 4.577 657 HA SER 84 HA SER 84 -26.211 2.316 2.316 658 1HB SER 84 2HB SER 84 -26.783 4.825 4.825 659 2HB SER 84 1HB SER 84 -25.206 4.762 4.762 660 HG SER 84 HG SER 84 -26.063 3.565 3.565 661 H SER 85 H SER 85 -24.784 0.884 0.884 662 HA SER 85 HA SER 85 -21.923 1.285 1.285 663 1HB SER 85 2HB SER 85 -23.207 -1.003 -1.003 664 2HB SER 85 1HB SER 85 -21.681 -0.996 -0.996 665 HG SER 85 HG SER 85 -22.788 -1.546 -1.546 666 H ARG 86 H ARG 86 -20.390 1.730 1.730 667 HA ARG 86 HA ARG 86 -20.959 1.573 1.573 668 1HB ARG 86 2HB ARG 86 -20.631 4.135 4.135 669 2HB ARG 86 1HB ARG 86 -19.888 4.014 4.014 670 1HG ARG 86 2HG ARG 86 -22.296 2.983 2.983 671 2HG ARG 86 1HG ARG 86 -22.774 4.014 4.014 672 1HD ARG 86 2HD ARG 86 -22.772 5.761 5.761 673 2HD ARG 86 1HD ARG 86 -21.024 5.583 5.583 674 HE ARG 86 HE ARG 86 -21.429 4.153 4.153 675 1HH1 ARG 86 1HH2 ARG 86 -23.293 6.843 6.843 676 2HH1 ARG 86 2HH2 ARG 86 -24.589 6.357 6.357 677 1HH2 ARG 86 2HH1 ARG 86 -23.451 3.101 3.101 678 2HH2 ARG 86 1HH1 ARG 86 -24.681 4.240 4.240 679 H THR 87 H THR 87 -19.193 0.615 0.615 680 HA THR 87 HA THR 87 -16.590 0.774 0.774 681 HB THR 87 HB THR 87 -15.994 -1.070 -1.070 682 HG1 THR 87 HG1 THR 87 -17.735 -0.630 -0.630 683 1HG2 THR 87 2HG2 THR 87 -16.930 -1.209 -1.209 684 2HG2 THR 87 1HG2 THR 87 -18.295 -1.965 -1.965 685 3HG2 THR 87 3HG2 THR 87 -16.680 -2.656 -2.656 686 H GLU 88 H GLU 88 -14.690 1.470 1.470 687 HA GLU 88 HA GLU 88 -14.618 2.241 2.241 688 1HB GLU 88 2HB GLU 88 -15.869 4.102 4.102 689 2HB GLU 88 1HB GLU 88 -14.213 4.702 4.702 690 1HG GLU 88 2HG GLU 88 -14.442 4.256 4.256 691 2HG GLU 88 1HG GLU 88 -16.176 4.266 4.266 692 H THR 89 H THR 89 -12.598 3.987 3.987 693 HA THR 89 HA THR 89 -10.261 2.491 2.491 694 HB THR 89 HB THR 89 -10.411 5.424 5.424 695 HG1 THR 89 HG1 THR 89 -10.946 4.707 4.707 696 1HG2 THR 89 3HG2 THR 89 -8.254 4.012 4.012 697 2HG2 THR 89 2HG2 THR 89 -8.201 3.644 3.644 698 3HG2 THR 89 1HG2 THR 89 -8.154 5.320 5.320 699 H ASN 90 H ASN 90 -8.811 2.822 2.822 700 HA ASN 90 HA ASN 90 -9.804 4.692 4.692 701 1HB ASN 90 2HB ASN 90 -9.609 2.243 2.243 702 2HB ASN 90 1HB ASN 90 -7.866 2.426 2.426 703 1HD2 ASN 90 2HD2 ASN 90 -9.521 4.750 4.750 704 2HD2 ASN 90 1HD2 ASN 90 -10.283 4.674 4.674 705 H TYR 91 H TYR 91 -8.847 6.546 6.546 706 HA TYR 91 HA TYR 91 -5.871 6.672 6.672 707 1HB TYR 91 2HB TYR 91 -6.225 8.943 8.943 708 2HB TYR 91 1HB TYR 91 -6.405 7.484 7.484 709 HD1 TYR 91 HD2 TYR 91 -8.663 6.650 6.650 710 HD2 TYR 91 HD1 TYR 91 -8.104 10.375 10.375 711 HE1 TYR 91 HE2 TYR 91 -10.969 7.331 7.331 712 HE2 TYR 91 HE1 TYR 91 -10.408 11.059 11.059 713 HH TYR 91 HH TYR 91 -12.730 9.175 9.175 714 H ILE 92 H ILE 92 -5.469 7.219 7.219 715 HA ILE 92 HA ILE 92 -6.970 9.554 9.554 716 HB ILE 92 HB ILE 92 -7.208 8.330 8.330 717 1HG1 ILE 92 2HG1 ILE 92 -6.182 6.012 6.012 718 2HG1 ILE 92 1HG1 ILE 92 -5.345 6.743 6.743 719 1HG2 ILE 92 2HG2 ILE 92 -8.963 8.395 8.395 720 2HG2 ILE 92 1HG2 ILE 92 -8.398 6.793 6.793 721 3HG2 ILE 92 3HG2 ILE 92 -9.101 7.042 7.042 722 1HD1 ILE 92 3HD1 ILE 92 -8.057 5.388 5.388 723 2HD1 ILE 92 2HD1 ILE 92 -6.532 4.649 4.649 724 3HD1 ILE 92 1HD1 ILE 92 -7.153 6.052 6.052 725 H CYS 93 H CYS 93 -5.945 9.785 9.785 726 HA CYS 93 HA CYS 93 -2.979 10.055 10.055 727 1HB CYS 93 2HB CYS 93 -4.271 12.226 12.226 728 2HB CYS 93 1HB CYS 93 -4.778 11.844 11.844 729 H VAL 94 H VAL 94 -1.982 8.611 8.611 730 HA VAL 94 HA VAL 94 -3.183 7.996 7.996 731 HB VAL 94 HB VAL 94 -2.978 6.108 6.108 732 1HG1 VAL 94 1HG1 VAL 94 -0.633 6.956 6.956 733 2HG1 VAL 94 3HG1 VAL 94 -0.059 6.098 6.098 734 3HG1 VAL 94 2HG1 VAL 94 -0.877 5.214 5.214 735 1HG2 VAL 94 1HG2 VAL 94 -2.873 6.057 6.057 736 2HG2 VAL 94 3HG2 VAL 94 -2.734 4.592 4.592 737 3HG2 VAL 94 2HG2 VAL 94 -1.283 5.374 5.374 738 H LYS 95 H LYS 95 -1.386 7.304 7.304 739 HA LYS 95 HA LYS 95 1.046 8.939 8.939 740 1HB LYS 95 2HB LYS 95 -0.645 8.818 8.818 741 2HB LYS 95 1HB LYS 95 0.913 9.639 9.639 742 1HG LYS 95 2HG LYS 95 -0.262 10.791 10.791 743 2HG LYS 95 1HG LYS 95 -1.724 10.392 10.392 744 1HD LYS 95 2HD LYS 95 -0.240 11.425 11.425 745 2HD LYS 95 1HD LYS 95 0.430 12.335 12.335 746 1HE LYS 95 2HE LYS 95 -2.155 12.598 12.598 747 2HE LYS 95 1HE LYS 95 -2.337 12.367 12.367 748 1HZ LYS 95 2HZ LYS 95 -0.489 14.345 14.345 749 2HZ LYS 95 1HZ LYS 95 -2.065 14.718 14.718 750 3HZ LYS 95 3HZ LYS 95 -0.908 14.198 14.198 751 H CYS 96 H CYS 96 2.980 8.017 8.017 752 HA CYS 96 HA CYS 96 2.597 5.203 5.203 753 1HB CYS 96 2HB CYS 96 5.170 6.114 6.114 754 2HB CYS 96 1HB CYS 96 4.453 4.507 4.507 755 H GLU 97 H GLU 97 3.228 4.688 4.688 756 HA GLU 97 HA GLU 97 5.610 5.955 5.955 757 1HB GLU 97 2HB GLU 97 3.770 6.965 6.965 758 2HB GLU 97 1HB GLU 97 2.930 5.422 5.422 759 1HG GLU 97 2HG GLU 97 4.611 4.567 4.567 760 2HG GLU 97 1HG GLU 97 5.664 5.950 5.950 761 H ASN 98 H ASN 98 6.864 4.262 4.262 762 HA ASN 98 HA ASN 98 7.647 2.001 2.001 763 1HB ASN 98 2HB ASN 98 4.707 1.820 1.820 764 2HB ASN 98 1HB ASN 98 5.648 0.337 0.337 765 1HD2 ASN 98 2HD2 ASN 98 5.971 2.452 2.452 766 2HD2 ASN 98 1HD2 ASN 98 4.774 2.754 2.754 767 H GLN 99 H GLN 99 6.870 3.212 3.212 768 HA GLN 99 HA GLN 99 6.533 2.860 2.860 769 1HB GLN 99 2HB GLN 99 7.594 0.852 0.852 770 2HB GLN 99 1HB GLN 99 8.624 1.666 1.666 771 1HG GLN 99 2HG GLN 99 8.135 0.015 0.015 772 2HG GLN 99 1HG GLN 99 6.883 -0.718 -0.718 773 1HE2 GLN 99 2HE2 GLN 99 10.689 -1.153 -1.153 774 2HE2 GLN 99 1HE2 GLN 99 10.172 0.374 0.374 775 H TYR 100 H TYR 100 4.356 1.611 1.611 776 HA TYR 100 HA TYR 100 2.878 0.309 0.309 777 1HB TYR 100 2HB TYR 100 2.177 -1.356 -1.356 778 2HB TYR 100 1HB TYR 100 3.352 -0.784 -0.784 779 HD1 TYR 100 HD2 TYR 100 -0.178 0.028 0.028 780 HD2 TYR 100 HD1 TYR 100 2.565 -0.315 -0.315 781 HE1 TYR 100 HE2 TYR 100 -1.997 0.611 0.611 782 HE2 TYR 100 HE1 TYR 100 0.739 0.264 0.264 783 HH TYR 100 HH TYR 100 -2.011 1.703 1.703 784 HA PRO 101 HA PRO 101 0.486 4.015 4.015 785 1HB PRO 101 2HB PRO 101 -2.025 3.046 3.046 786 2HB PRO 101 1HB PRO 101 -0.737 3.373 3.373 787 1HG PRO 101 2HG PRO 101 -1.597 0.739 0.739 788 2HG PRO 101 1HG PRO 101 -1.024 1.108 1.108 789 1HD PRO 101 2HD PRO 101 0.589 -0.068 -0.068 790 2HD PRO 101 1HD PRO 101 1.218 0.998 0.998 791 H VAL 102 H VAL 102 0.725 4.336 4.336 792 HA VAL 102 HA VAL 102 -1.069 2.992 2.992 793 HB VAL 102 HB VAL 102 1.091 5.100 5.100 794 1HG1 VAL 102 2HG1 VAL 102 -0.545 3.708 3.708 795 2HG1 VAL 102 1HG1 VAL 102 0.892 4.671 4.671 796 3HG1 VAL 102 3HG1 VAL 102 -0.549 5.432 5.432 797 1HG2 VAL 102 2HG2 VAL 102 1.338 2.413 2.413 798 2HG2 VAL 102 1HG2 VAL 102 2.517 3.386 3.386 799 3HG2 VAL 102 3HG2 VAL 102 1.307 2.465 2.465 800 H HIS 103 H HIS 103 -0.948 6.013 6.013 801 HA HIS 103 HA HIS 103 -3.382 6.893 6.893 802 1HB HIS 103 2HB HIS 103 -1.944 9.222 9.222 803 2HB HIS 103 1HB HIS 103 -2.306 8.743 8.743 804 HD1 HIS 103 HD1 HIS 103 -0.228 8.537 8.537 805 HD2 HIS 103 HD2 HIS 103 0.532 7.537 7.537 806 HE1 HIS 103 HE1 HIS 103 2.227 7.889 7.889 807 H PHE 104 H PHE 104 -4.948 7.965 7.965 808 HA PHE 104 HA PHE 104 -4.215 7.835 7.835 809 1HB PHE 104 2HB PHE 104 -6.348 6.477 6.477 810 2HB PHE 104 1HB PHE 104 -7.105 7.817 7.817 811 HD1 PHE 104 HD2 PHE 104 -5.172 8.137 8.137 812 HD2 PHE 104 HD1 PHE 104 -6.863 4.595 4.595 813 HE1 PHE 104 HE2 PHE 104 -4.777 6.955 6.955 814 HE2 PHE 104 HE1 PHE 104 -6.489 3.391 3.391 815 HZ PHE 104 HZ PHE 104 -5.453 4.578 4.578 816 H ALA 105 H ALA 105 -4.323 9.694 9.694 817 HA ALA 105 HA ALA 105 -5.081 12.162 12.162 818 1HB ALA 105 3HB ALA 105 -3.278 11.562 11.562 819 2HB ALA 105 2HB ALA 105 -4.570 12.349 12.349 820 3HB ALA 105 1HB ALA 105 -3.795 13.189 13.189 821 H GLY 106 H GLY 106 -6.490 10.199 10.199 822 1HA GLY 106 2HA GLY 106 -9.101 10.454 10.454 823 2HA GLY 106 1HA GLY 106 -8.755 12.139 12.139 824 H ILE 107 H ILE 107 -9.564 12.426 12.426 825 HA ILE 107 HA ILE 107 -9.642 10.434 10.434 826 HB ILE 107 HB ILE 107 -10.396 12.329 12.329 827 1HG1 ILE 107 2HG1 ILE 107 -10.290 14.152 14.152 828 2HG1 ILE 107 1HG1 ILE 107 -8.792 13.904 13.904 829 1HG2 ILE 107 2HG2 ILE 107 -11.533 11.630 11.630 830 2HG2 ILE 107 1HG2 ILE 107 -12.182 13.091 13.091 831 3HG2 ILE 107 3HG2 ILE 107 -12.269 11.552 11.552 832 1HD1 ILE 107 2HD1 ILE 107 -11.388 14.602 14.602 833 2HD1 ILE 107 1HD1 ILE 107 -10.286 15.841 15.841 834 3HD1 ILE 107 3HD1 ILE 107 -9.750 14.711 14.711 835 H GLY 108 H GLY 108 -8.841 11.535 11.535 836 1HA GLY 108 2HA GLY 108 -5.895 11.397 11.397 837 2HA GLY 108 1HA GLY 108 -6.844 11.237 11.237 838 H ARG 109 H ARG 109 -6.341 13.719 13.719 839 HA ARG 109 HA ARG 109 -5.339 15.663 15.663 840 1HB ARG 109 2HB ARG 109 -8.110 15.540 15.540 841 2HB ARG 109 1HB ARG 109 -7.683 16.829 16.829 842 1HG ARG 109 2HG ARG 109 -7.803 18.073 18.073 843 2HG ARG 109 1HG ARG 109 -6.115 17.573 17.573 844 1HD ARG 109 2HD ARG 109 -8.004 15.614 15.614 845 2HD ARG 109 1HD ARG 109 -7.988 17.161 17.161 846 HE ARG 109 HE ARG 109 -5.782 15.232 15.232 847 1HH1 ARG 109 1HH2 ARG 109 -4.351 17.634 17.634 848 2HH1 ARG 109 2HH2 ARG 109 -4.071 18.427 18.427 849 1HH2 ARG 109 2HH1 ARG 109 -6.478 16.601 16.601 850 2HH2 ARG 109 1HH1 ARG 109 -5.278 17.845 17.845 851 H CYS 110 H CYS 110 -3.693 15.191 15.191 852 HA CYS 110 HA CYS 110 -4.170 16.261 16.261 853 1HB CYS 110 2HB CYS 110 -2.137 14.567 14.567 854 2HB CYS 110 1HB CYS 110 -1.440 15.786 15.786 855 HA PRO 111 HA PRO 111 -1.084 19.618 19.618 856 1HB PRO 111 2HB PRO 111 -0.566 19.858 19.858 857 2HB PRO 111 1HB PRO 111 0.404 18.857 18.857 858 1HG PRO 111 2HG PRO 111 -1.594 18.013 18.013 859 2HG PRO 111 1HG PRO 111 -0.198 17.129 17.129 860 1HD PRO 111 1HD PRO 111 -2.898 16.731 16.731 861 2HD PRO 111 2HD PRO 111 -1.474 16.091 16.091 Start of MODEL 3 1 HN PCA 1 HN PCA 1 -3.107 4.047 4.047 2 HA PCA 1 HA PCA 1 -1.492 5.169 5.169 3 1HB PCA 1 1HB PCA 1 -2.451 5.861 5.861 4 2HB PCA 1 2HB PCA 1 -2.770 4.175 4.175 5 1HG PCA 1 1HG PCA 1 -4.628 6.151 6.151 6 2HG PCA 1 2HG PCA 1 -4.956 4.469 4.469 7 H ASN 2 H ASN 2 -3.377 2.195 2.195 8 HA ASN 2 HA ASN 2 -0.803 0.715 0.715 9 1HB ASN 2 2HB ASN 2 -2.210 0.667 0.667 10 2HB ASN 2 1HB ASN 2 -3.552 0.030 0.030 11 1HD2 ASN 2 2HD2 ASN 2 -0.319 -2.503 -2.503 12 2HD2 ASN 2 1HD2 ASN 2 -0.036 -0.854 -0.854 13 H TRP 3 H TRP 3 -0.734 -1.428 -1.428 14 HA TRP 3 HA TRP 3 -1.779 -1.442 -1.442 15 1HB TRP 3 2HB TRP 3 0.232 -2.824 -2.824 16 2HB TRP 3 1HB TRP 3 -0.852 -4.057 -4.057 17 HD1 TRP 3 HD1 TRP 3 2.192 -2.573 -2.573 18 HE1 TRP 3 HE1 TRP 3 2.737 -2.670 -2.670 19 HE3 TRP 3 HE3 TRP 3 -2.494 -3.400 -3.400 20 HZ2 TRP 3 HZ2 TRP 3 1.407 -3.056 -3.056 21 HZ3 TRP 3 HZ3 TRP 3 -2.798 -3.648 -3.648 22 HH2 TRP 3 HH2 TRP 3 -0.851 -3.481 -3.481 23 H ALA 4 H ALA 4 -2.944 -2.798 -2.798 24 HA ALA 4 HA ALA 4 -4.634 -4.874 -4.874 25 1HB ALA 4 1HB ALA 4 -4.387 -3.598 -3.598 26 2HB ALA 4 3HB ALA 4 -5.749 -4.660 -4.660 27 3HB ALA 4 2HB ALA 4 -4.100 -5.273 -5.273 28 H THR 5 H THR 5 -5.623 -1.922 -1.922 29 HA THR 5 HA THR 5 -8.321 -1.907 -1.907 30 HB THR 5 HB THR 5 -6.768 0.585 0.585 31 HG1 THR 5 HG1 THR 5 -7.849 -1.410 -1.410 32 1HG2 THR 5 2HG2 THR 5 -9.195 0.626 0.626 33 2HG2 THR 5 1HG2 THR 5 -9.584 -0.245 -0.245 34 3HG2 THR 5 3HG2 THR 5 -8.873 1.366 1.366 35 H PHE 6 H PHE 6 -5.304 -0.667 -0.667 36 HA PHE 6 HA PHE 6 -6.545 0.824 0.824 37 1HB PHE 6 2HB PHE 6 -4.277 1.357 1.357 38 2HB PHE 6 1HB PHE 6 -3.729 -0.172 -0.172 39 HD1 PHE 6 HD2 PHE 6 -4.011 -0.586 -0.586 40 HD2 PHE 6 HD1 PHE 6 -4.510 3.312 3.312 41 HE1 PHE 6 HE2 PHE 6 -3.778 0.439 0.439 42 HE2 PHE 6 HE1 PHE 6 -4.287 4.353 4.353 43 HZ PHE 6 HZ PHE 6 -3.930 2.902 2.902 44 H GLN 7 H GLN 7 -5.554 -2.477 -2.477 45 HA GLN 7 HA GLN 7 -5.271 -3.481 -3.481 46 1HB GLN 7 2HB GLN 7 -4.984 -4.861 -4.861 47 2HB GLN 7 1HB GLN 7 -6.740 -4.902 -4.902 48 1HG GLN 7 2HG GLN 7 -6.927 -6.513 -6.513 49 2HG GLN 7 1HG GLN 7 -5.883 -5.640 -5.640 50 1HE2 GLN 7 2HE2 GLN 7 -4.350 -8.682 -8.682 51 2HE2 GLN 7 1HE2 GLN 7 -5.970 -8.207 -8.207 52 H GLN 8 H GLN 8 -8.096 -2.629 -2.629 53 HA GLN 8 HA GLN 8 -10.033 -3.462 -3.462 54 1HB GLN 8 2HB GLN 8 -10.110 -2.070 -2.070 55 2HB GLN 8 1HB GLN 8 -11.436 -1.748 -1.748 56 1HG GLN 8 2HG GLN 8 -12.198 -3.934 -3.934 57 2HG GLN 8 1HG GLN 8 -10.603 -4.592 -4.592 58 1HE2 GLN 8 2HE2 GLN 8 -10.948 -4.181 -4.181 59 2HE2 GLN 8 1HE2 GLN 8 -9.845 -4.437 -4.437 60 H LYS 9 H LYS 9 -8.464 -0.471 -0.471 61 HA LYS 9 HA LYS 9 -9.752 1.504 1.504 62 1HB LYS 9 2HB LYS 9 -7.879 1.919 1.919 63 2HB LYS 9 1HB LYS 9 -6.742 1.316 1.316 64 1HG LYS 9 2HG LYS 9 -6.636 3.515 3.515 65 2HG LYS 9 1HG LYS 9 -8.097 3.140 3.140 66 1HD LYS 9 2HD LYS 9 -9.136 4.734 4.734 67 2HD LYS 9 1HD LYS 9 -9.000 3.665 3.665 68 1HE LYS 9 2HE LYS 9 -6.466 4.867 4.867 69 2HE LYS 9 1HE LYS 9 -7.626 6.166 6.166 70 1HZ LYS 9 2HZ LYS 9 -8.793 5.176 5.176 71 2HZ LYS 9 1HZ LYS 9 -7.285 4.460 4.460 72 3HZ LYS 9 3HZ LYS 9 -7.419 6.149 6.149 73 H HIS 10 H HIS 10 -7.038 -0.462 -0.462 74 HA HIS 10 HA HIS 10 -7.644 0.611 0.611 75 1HB HIS 10 2HB HIS 10 -5.271 -0.682 -0.682 76 2HB HIS 10 1HB HIS 10 -5.595 -1.129 -1.129 77 HD1 HIS 10 HD1 HIS 10 -3.126 0.507 0.507 78 HD2 HIS 10 HD2 HIS 10 -6.778 2.201 2.201 79 HE1 HIS 10 HE1 HIS 10 -2.602 2.782 2.782 80 H ILE 11 H ILE 11 -8.375 -2.238 -2.238 81 HA ILE 11 HA ILE 11 -9.192 -3.529 -3.529 82 HB ILE 11 HB ILE 11 -8.021 -5.005 -5.005 83 1HG1 ILE 11 2HG1 ILE 11 -6.338 -3.568 -3.568 84 2HG1 ILE 11 1HG1 ILE 11 -6.014 -5.274 -5.274 85 1HG2 ILE 11 2HG2 ILE 11 -9.677 -6.143 -6.143 86 2HG2 ILE 11 1HG2 ILE 11 -8.339 -6.063 -6.063 87 3HG2 ILE 11 3HG2 ILE 11 -8.158 -6.957 -6.957 88 1HD1 ILE 11 3HD1 ILE 11 -7.751 -4.116 -4.116 89 2HD1 ILE 11 2HD1 ILE 11 -6.187 -3.314 -3.314 90 3HD1 ILE 11 1HD1 ILE 11 -6.273 -5.053 -5.053 91 H ILE 12 H ILE 12 -11.296 -2.531 -2.531 92 HA ILE 12 HA ILE 12 -12.867 -4.202 -4.202 93 HB ILE 12 HB ILE 12 -13.724 -1.774 -1.774 94 1HG1 ILE 12 2HG1 ILE 12 -13.851 -1.155 -1.155 95 2HG1 ILE 12 1HG1 ILE 12 -12.318 -2.002 -2.002 96 1HG2 ILE 12 1HG2 ILE 12 -15.098 -3.589 -3.589 97 2HG2 ILE 12 3HG2 ILE 12 -15.589 -1.897 -1.897 98 3HG2 ILE 12 2HG2 ILE 12 -15.692 -2.927 -2.927 99 1HD1 ILE 12 3HD1 ILE 12 -12.003 -0.437 -0.437 100 2HD1 ILE 12 2HD1 ILE 12 -13.236 0.550 0.550 101 3HD1 ILE 12 1HD1 ILE 12 -11.719 0.217 0.217 102 H ASN 13 H ASN 13 -11.993 -5.773 -5.773 103 HA ASN 13 HA ASN 13 -13.162 -5.719 -5.719 104 1HB ASN 13 2HB ASN 13 -11.623 -7.757 -7.757 105 2HB ASN 13 1HB ASN 13 -12.390 -8.223 -8.223 106 1HD2 ASN 13 2HD2 ASN 13 -9.659 -5.164 -5.164 107 2HD2 ASN 13 1HD2 ASN 13 -10.793 -5.105 -5.105 108 H THR 14 H THR 14 -15.398 -5.387 -5.387 109 HA THR 14 HA THR 14 -16.826 -7.936 -7.936 110 HB THR 14 HB THR 14 -18.582 -6.405 -6.405 111 HG1 THR 14 HG1 THR 14 -17.456 -4.486 -4.486 112 1HG2 THR 14 2HG2 THR 14 -15.847 -6.931 -6.931 113 2HG2 THR 14 1HG2 THR 14 -17.171 -6.273 -6.273 114 3HG2 THR 14 3HG2 THR 14 -17.324 -7.868 -7.868 115 HA PRO 15 HA PRO 15 -18.258 -5.998 -5.998 116 1HB PRO 15 2HB PRO 15 -17.984 -8.261 -8.261 117 2HB PRO 15 1HB PRO 15 -16.696 -7.064 -7.064 118 1HG PRO 15 2HG PRO 15 -16.954 -9.787 -9.787 119 2HG PRO 15 1HG PRO 15 -15.496 -8.831 -8.831 120 1HD PRO 15 2HD PRO 15 -16.749 -9.195 -9.195 121 2HD PRO 15 1HD PRO 15 -15.487 -7.998 -7.998 122 H ILE 16 H ILE 16 -20.256 -6.041 -6.041 123 HA ILE 16 HA ILE 16 -22.137 -8.180 -8.180 124 HB ILE 16 HB ILE 16 -22.035 -7.126 -7.126 125 1HG1 ILE 16 2HG1 ILE 16 -21.000 -9.802 -9.802 126 2HG1 ILE 16 1HG1 ILE 16 -19.958 -8.432 -8.432 127 1HG2 ILE 16 2HG2 ILE 16 -23.674 -9.087 -9.087 128 2HG2 ILE 16 1HG2 ILE 16 -23.263 -9.513 -9.513 129 3HG2 ILE 16 3HG2 ILE 16 -24.139 -8.021 -8.021 130 1HD1 ILE 16 2HD1 ILE 16 -21.307 -8.471 -8.471 131 2HD1 ILE 16 1HD1 ILE 16 -21.583 -10.154 -10.154 132 3HD1 ILE 16 3HD1 ILE 16 -19.937 -9.553 -9.553 133 H ILE 17 H ILE 17 -24.466 -7.408 -7.408 134 HA ILE 17 HA ILE 17 -24.671 -4.536 -4.536 135 HB ILE 17 HB ILE 17 -27.051 -5.124 -5.124 136 1HG1 ILE 17 2HG1 ILE 17 -26.337 -8.007 -8.007 137 2HG1 ILE 17 1HG1 ILE 17 -26.893 -7.034 -7.034 138 1HG2 ILE 17 3HG2 ILE 17 -25.278 -5.376 -5.376 139 2HG2 ILE 17 2HG2 ILE 17 -25.021 -7.039 -7.039 140 3HG2 ILE 17 1HG2 ILE 17 -26.559 -6.573 -6.573 141 1HD1 ILE 17 2HD1 ILE 17 -28.906 -6.392 -6.392 142 2HD1 ILE 17 1HD1 ILE 17 -28.368 -7.479 -7.479 143 3HD1 ILE 17 3HD1 ILE 17 -28.812 -8.128 -8.128 144 H ASN 18 H ASN 18 -23.876 -5.020 -5.020 145 HA ASN 18 HA ASN 18 -26.091 -3.690 -3.690 146 1HB ASN 18 2HB ASN 18 -24.707 -6.129 -6.129 147 2HB ASN 18 1HB ASN 18 -26.091 -5.255 -5.255 148 1HD2 ASN 18 2HD2 ASN 18 -28.366 -6.637 -6.637 149 2HD2 ASN 18 1HD2 ASN 18 -28.024 -5.161 -5.161 150 H CYS 19 H CYS 19 -24.919 -1.839 -1.839 151 HA CYS 19 HA CYS 19 -22.059 -1.962 -1.962 152 1HB CYS 19 2HB CYS 19 -23.861 0.478 0.478 153 2HB CYS 19 1HB CYS 19 -22.104 0.445 0.445 154 H ASN 20 H ASN 20 -24.977 -2.107 -2.107 155 HA ASN 20 HA ASN 20 -23.702 -1.036 -1.036 156 1HB ASN 20 2HB ASN 20 -25.868 -1.939 -1.939 157 2HB ASN 20 1HB ASN 20 -26.011 -0.576 -0.576 158 1HD2 ASN 20 2HD2 ASN 20 -27.826 -4.098 -4.098 159 2HD2 ASN 20 1HD2 ASN 20 -26.912 -3.914 -3.914 160 H THR 21 H THR 21 -25.030 -4.204 -4.204 161 HA THR 21 HA THR 21 -24.129 -5.681 -5.681 162 HB THR 21 HB THR 21 -24.022 -7.573 -7.573 163 HG1 THR 21 HG1 THR 21 -25.943 -5.782 -5.782 164 1HG2 THR 21 2HG2 THR 21 -25.824 -6.740 -6.740 165 2HG2 THR 21 1HG2 THR 21 -26.796 -6.866 -6.866 166 3HG2 THR 21 3HG2 THR 21 -25.873 -8.257 -8.257 167 H ILE 22 H ILE 22 -22.373 -4.659 -4.659 168 HA ILE 22 HA ILE 22 -20.094 -6.399 -6.399 169 HB ILE 22 HB ILE 22 -18.998 -5.298 -5.298 170 1HG1 ILE 22 2HG1 ILE 22 -21.422 -3.470 -3.470 171 2HG1 ILE 22 1HG1 ILE 22 -19.841 -2.981 -2.981 172 1HG2 ILE 22 3HG2 ILE 22 -21.928 -5.918 -5.918 173 2HG2 ILE 22 2HG2 ILE 22 -20.737 -5.766 -5.766 174 3HG2 ILE 22 1HG2 ILE 22 -20.580 -7.050 -7.050 175 1HD1 ILE 22 2HD1 ILE 22 -19.381 -4.225 -4.225 176 2HD1 ILE 22 1HD1 ILE 22 -20.736 -3.124 -3.124 177 3HD1 ILE 22 3HD1 ILE 22 -19.204 -2.519 -2.519 178 H MET 23 H MET 23 -20.874 -2.953 -2.953 179 HA MET 23 HA MET 23 -18.266 -2.558 -2.558 180 1HB MET 23 2HB MET 23 -18.607 -0.224 -0.224 181 2HB MET 23 1HB MET 23 -19.210 -0.913 -0.913 182 1HG MET 23 2HG MET 23 -21.086 0.291 0.291 183 2HG MET 23 1HG MET 23 -21.461 -0.929 -0.929 184 1HE MET 23 3HE MET 23 -22.946 0.736 0.736 185 2HE MET 23 2HE MET 23 -22.384 0.324 0.324 186 3HE MET 23 1HE MET 23 -22.578 2.016 2.016 187 H ASP 24 H ASP 24 -20.796 -4.032 -4.032 188 HA ASP 24 HA ASP 24 -21.831 -2.543 -2.543 189 1HB ASP 24 2HB ASP 24 -21.703 -5.434 -5.434 190 2HB ASP 24 1HB ASP 24 -22.096 -5.061 -5.061 191 H ASN 25 H ASN 25 -20.054 -1.511 -1.511 192 HA ASN 25 HA ASN 25 -18.687 -3.042 -3.042 193 1HB ASN 25 2HB ASN 25 -17.309 -3.552 -3.552 194 2HB ASN 25 1HB ASN 25 -16.974 -1.842 -1.842 195 1HD2 ASN 25 2HD2 ASN 25 -14.079 -2.627 -2.627 196 2HD2 ASN 25 1HD2 ASN 25 -14.662 -2.298 -2.298 197 H ASN 26 H ASN 26 -17.695 -1.651 -1.651 198 HA ASN 26 HA ASN 26 -18.749 1.053 1.053 199 1HB ASN 26 2HB ASN 26 -16.546 -0.218 -0.218 200 2HB ASN 26 1HB ASN 26 -17.456 1.236 1.236 201 1HD2 ASN 26 2HD2 ASN 26 -19.158 -2.431 -2.431 202 2HD2 ASN 26 1HD2 ASN 26 -17.666 -2.292 -2.292 203 H ILE 27 H ILE 27 -16.045 -0.237 -0.237 204 HA ILE 27 HA ILE 27 -14.411 2.199 2.199 205 HB ILE 27 HB ILE 27 -13.747 -0.403 -0.403 206 1HG1 ILE 27 2HG1 ILE 27 -12.256 1.429 1.429 207 2HG1 ILE 27 1HG1 ILE 27 -11.486 0.391 0.391 208 1HG2 ILE 27 3HG2 ILE 27 -14.670 -0.229 -0.229 209 2HG2 ILE 27 2HG2 ILE 27 -13.192 0.670 0.670 210 3HG2 ILE 27 1HG2 ILE 27 -13.100 -0.991 -0.991 211 1HD1 ILE 27 2HD1 ILE 27 -12.220 2.029 2.029 212 2HD1 ILE 27 1HD1 ILE 27 -12.756 3.100 3.100 213 3HD1 ILE 27 3HD1 ILE 27 -11.049 2.681 2.681 214 H TYR 28 H TYR 28 -17.200 1.742 1.742 215 HA TYR 28 HA TYR 28 -16.418 3.544 3.544 216 1HB TYR 28 2HB TYR 28 -18.037 0.990 0.990 217 2HB TYR 28 1HB TYR 28 -18.175 2.261 2.261 218 HD1 TYR 28 HD2 TYR 28 -15.801 3.213 3.213 219 HD2 TYR 28 HD1 TYR 28 -16.497 -0.707 -0.707 220 HE1 TYR 28 HE2 TYR 28 -13.773 2.381 2.381 221 HE2 TYR 28 HE1 TYR 28 -14.459 -1.537 -1.537 222 HH TYR 28 HH TYR 28 -12.104 0.430 0.430 223 H ILE 29 H ILE 29 -17.461 4.798 4.798 224 HA ILE 29 HA ILE 29 -20.227 5.498 5.498 225 HB ILE 29 HB ILE 29 -19.664 4.733 4.733 226 1HG1 ILE 29 2HG1 ILE 29 -21.163 3.157 3.157 227 2HG1 ILE 29 1HG1 ILE 29 -19.583 2.727 2.727 228 1HG2 ILE 29 1HG2 ILE 29 -21.938 5.884 5.884 229 2HG2 ILE 29 3HG2 ILE 29 -22.356 4.659 4.659 230 3HG2 ILE 29 2HG2 ILE 29 -21.492 6.115 6.115 231 1HD1 ILE 29 2HD1 ILE 29 -20.943 2.994 2.994 232 2HD1 ILE 29 1HD1 ILE 29 -22.265 2.503 2.503 233 3HD1 ILE 29 3HD1 ILE 29 -20.847 1.469 1.469 234 H VAL 30 H VAL 30 -20.921 7.499 7.499 235 HA VAL 30 HA VAL 30 -18.744 9.302 9.302 236 HB VAL 30 HB VAL 30 -21.365 9.964 9.964 237 1HG1 VAL 30 3HG1 VAL 30 -19.086 11.662 11.662 238 2HG1 VAL 30 2HG1 VAL 30 -20.152 12.214 12.214 239 3HG1 VAL 30 1HG1 VAL 30 -20.816 11.852 11.852 240 1HG2 VAL 30 1HG2 VAL 30 -18.514 9.629 9.629 241 2HG2 VAL 30 3HG2 VAL 30 -19.992 9.026 9.026 242 3HG2 VAL 30 2HG2 VAL 30 -19.586 10.740 10.740 243 H GLY 31 H GLY 31 -19.695 11.073 11.073 244 1HA GLY 31 2HA GLY 31 -21.322 9.678 9.678 245 2HA GLY 31 1HA GLY 31 -20.461 11.203 11.203 246 H GLY 32 H GLY 32 -22.945 10.053 10.053 247 1HA GLY 32 2HA GLY 32 -24.959 11.909 11.909 248 2HA GLY 32 1HA GLY 32 -24.296 12.377 12.377 249 H GLN 33 H GLN 33 -24.028 10.165 10.165 250 HA GLN 33 HA GLN 33 -26.185 8.223 8.223 251 1HB GLN 33 2HB GLN 33 -26.855 10.702 10.702 252 2HB GLN 33 1HB GLN 33 -26.788 9.494 9.494 253 1HG GLN 33 2HG GLN 33 -28.474 8.193 8.193 254 2HG GLN 33 1HG GLN 33 -28.207 8.847 8.847 255 1HE2 GLN 33 2HE2 GLN 33 -30.050 11.890 11.890 256 2HE2 GLN 33 1HE2 GLN 33 -28.681 11.345 11.345 257 H CYS 34 H CYS 34 -24.864 9.728 9.728 258 HA CYS 34 HA CYS 34 -23.107 7.383 7.383 259 1HB CYS 34 2HB CYS 34 -25.239 8.381 8.381 260 2HB CYS 34 1HB CYS 34 -23.973 7.234 7.234 261 H LYS 35 H LYS 35 -21.363 7.887 7.887 262 HA LYS 35 HA LYS 35 -20.594 10.697 10.697 263 1HB LYS 35 2HB LYS 35 -19.158 8.413 8.413 264 2HB LYS 35 1HB LYS 35 -19.158 8.711 8.711 265 1HG LYS 35 2HG LYS 35 -18.020 10.737 10.737 266 2HG LYS 35 1HG LYS 35 -18.531 10.969 10.969 267 1HD LYS 35 2HD LYS 35 -16.735 9.859 9.859 268 2HD LYS 35 1HD LYS 35 -16.950 8.529 8.529 269 1HE LYS 35 2HE LYS 35 -15.959 11.089 11.089 270 2HE LYS 35 1HE LYS 35 -14.837 10.207 10.207 271 1HZ LYS 35 2HZ LYS 35 -16.297 9.035 9.035 272 2HZ LYS 35 1HZ LYS 35 -14.678 9.549 9.549 273 3HZ LYS 35 3HZ LYS 35 -15.132 8.255 8.255 274 H ARG 36 H ARG 36 -19.672 11.477 11.477 275 HA ARG 36 HA ARG 36 -21.983 11.581 11.581 276 1HB ARG 36 2HB ARG 36 -19.298 12.930 12.930 277 2HB ARG 36 1HB ARG 36 -20.215 12.989 12.989 278 1HG ARG 36 2HG ARG 36 -21.142 14.836 14.836 279 2HG ARG 36 1HG ARG 36 -22.183 13.623 13.623 280 1HD ARG 36 2HD ARG 36 -21.435 14.236 14.236 281 2HD ARG 36 1HD ARG 36 -19.798 13.778 13.778 282 HE ARG 36 HE ARG 36 -20.399 16.354 16.354 283 1HH1 ARG 36 2HH1 ARG 36 -21.310 16.011 16.011 284 2HH1 ARG 36 1HH1 ARG 36 -19.982 16.819 16.819 285 1HH2 ARG 36 1HH2 ARG 36 -18.012 16.844 16.844 286 2HH2 ARG 36 2HH2 ARG 36 -18.115 17.290 17.290 287 H VAL 37 H VAL 37 -19.109 9.649 9.649 288 HA VAL 37 HA VAL 37 -19.877 8.176 8.176 289 HB VAL 37 HB VAL 37 -18.613 10.098 10.098 290 1HG1 VAL 37 2HG1 VAL 37 -17.041 10.307 10.307 291 2HG1 VAL 37 1HG1 VAL 37 -16.158 8.941 8.941 292 3HG1 VAL 37 3HG1 VAL 37 -16.298 10.442 10.442 293 1HG2 VAL 37 1HG2 VAL 37 -17.823 7.243 7.243 294 2HG2 VAL 37 3HG2 VAL 37 -18.421 8.353 8.353 295 3HG2 VAL 37 2HG2 VAL 37 -16.729 8.411 8.411 296 H ASN 38 H ASN 38 -19.646 6.161 6.161 297 HA ASN 38 HA ASN 38 -17.475 5.333 5.333 298 1HB ASN 38 2HB ASN 38 -19.732 3.564 3.564 299 2HB ASN 38 1HB ASN 38 -18.734 3.335 3.335 300 1HD2 ASN 38 2HD2 ASN 38 -22.057 4.698 4.698 301 2HD2 ASN 38 1HD2 ASN 38 -21.556 3.317 3.317 302 H THR 39 H THR 39 -15.874 5.608 5.608 303 HA THR 39 HA THR 39 -16.055 4.216 4.216 304 HB THR 39 HB THR 39 -13.499 5.340 5.340 305 HG1 THR 39 HG1 THR 39 -14.763 7.033 7.033 306 1HG2 THR 39 2HG2 THR 39 -13.624 4.179 4.179 307 2HG2 THR 39 1HG2 THR 39 -14.696 5.476 5.476 308 3HG2 THR 39 3HG2 THR 39 -13.036 5.841 5.841 309 H PHE 40 H PHE 40 -15.731 2.113 2.113 310 HA PHE 40 HA PHE 40 -13.909 0.640 0.640 311 1HB PHE 40 2HB PHE 40 -15.861 -0.466 -0.466 312 2HB PHE 40 1HB PHE 40 -15.045 -1.369 -1.369 313 HD1 PHE 40 HD2 PHE 40 -15.307 0.202 0.202 314 HD2 PHE 40 HD1 PHE 40 -18.142 -0.355 -0.355 315 HE1 PHE 40 HE2 PHE 40 -17.166 0.694 0.694 316 HE2 PHE 40 HE1 PHE 40 -19.997 0.138 0.138 317 HZ PHE 40 HZ PHE 40 -19.511 0.663 0.663 318 H ILE 41 H ILE 41 -12.312 -0.901 -0.901 319 HA ILE 41 HA ILE 41 -11.635 -0.033 -0.033 320 HB ILE 41 HB ILE 41 -9.698 -0.551 -0.551 321 1HG1 ILE 41 2HG1 ILE 41 -10.900 1.583 1.583 322 2HG1 ILE 41 1HG1 ILE 41 -9.214 1.867 1.867 323 1HG2 ILE 41 1HG2 ILE 41 -8.853 -1.190 -1.190 324 2HG2 ILE 41 3HG2 ILE 41 -9.167 0.457 0.457 325 3HG2 ILE 41 2HG2 ILE 41 -7.963 0.158 0.158 326 1HD1 ILE 41 1HD1 ILE 41 -10.424 1.706 1.706 327 2HD1 ILE 41 3HD1 ILE 41 -11.656 2.512 2.512 328 3HD1 ILE 41 2HD1 ILE 41 -10.040 3.207 3.207 329 H ILE 42 H ILE 42 -11.550 -1.720 -1.720 330 HA ILE 42 HA ILE 42 -11.141 -4.485 -4.485 331 HB ILE 42 HB ILE 42 -12.085 -3.993 -3.993 332 1HG1 ILE 42 2HG1 ILE 42 -13.926 -4.075 -4.075 333 2HG1 ILE 42 1HG1 ILE 42 -13.557 -2.613 -2.613 334 1HG2 ILE 42 3HG2 ILE 42 -11.421 -6.249 -6.249 335 2HG2 ILE 42 2HG2 ILE 42 -12.892 -6.122 -6.122 336 3HG2 ILE 42 1HG2 ILE 42 -12.993 -6.175 -6.175 337 1HD1 ILE 42 1HD1 ILE 42 -14.285 -4.515 -4.515 338 2HD1 ILE 42 3HD1 ILE 42 -15.440 -4.735 -4.735 339 3HD1 ILE 42 2HD1 ILE 42 -15.256 -3.155 -3.155 340 H SER 43 H SER 43 -9.054 -5.056 -5.056 341 HA SER 43 HA SER 43 -7.686 -5.351 -5.351 342 1HB SER 43 2HB SER 43 -7.555 -2.885 -2.885 343 2HB SER 43 1HB SER 43 -6.828 -2.926 -2.926 344 HG SER 43 HG SER 43 -5.052 -3.968 -3.968 345 H SER 44 H SER 44 -5.639 -6.380 -6.380 346 HA SER 44 HA SER 44 -5.323 -7.939 -7.939 347 1HB SER 44 2HB SER 44 -2.794 -7.966 -7.966 348 2HB SER 44 1HB SER 44 -4.096 -8.867 -8.867 349 HG SER 44 HG SER 44 -2.997 -7.629 -7.629 350 H ALA 45 H ALA 45 -4.823 -7.342 -7.342 351 HA ALA 45 HA ALA 45 -4.323 -4.866 -4.866 352 1HB ALA 45 2HB ALA 45 -4.786 -6.880 -6.880 353 2HB ALA 45 1HB ALA 45 -3.132 -7.429 -7.429 354 3HB ALA 45 3HB ALA 45 -3.432 -5.956 -5.956 355 H THR 46 H THR 46 -1.579 -7.162 -7.162 356 HA THR 46 HA THR 46 0.395 -5.200 -5.200 357 HB THR 46 HB THR 46 0.898 -7.519 -7.519 358 HG1 THR 46 HG1 THR 46 2.422 -6.566 -6.566 359 1HG2 THR 46 2HG2 THR 46 -0.039 -7.663 -7.663 360 2HG2 THR 46 1HG2 THR 46 1.363 -8.665 -8.665 361 3HG2 THR 46 3HG2 THR 46 -0.134 -8.873 -8.873 362 H THR 47 H THR 47 -1.278 -5.802 -5.802 363 HA THR 47 HA THR 47 0.682 -4.695 -4.695 364 HB THR 47 HB THR 47 -2.343 -4.664 -4.664 365 HG1 THR 47 HG1 THR 47 -0.414 -6.559 -6.559 366 1HG2 THR 47 3HG2 THR 47 -0.122 -3.746 -3.746 367 2HG2 THR 47 2HG2 THR 47 -1.011 -5.032 -5.032 368 3HG2 THR 47 1HG2 THR 47 -1.855 -3.580 -3.580 369 H VAL 48 H VAL 48 -1.835 -3.368 -3.368 370 HA VAL 48 HA VAL 48 -1.517 -0.614 -0.614 371 HB VAL 48 HB VAL 48 -2.551 -1.597 -1.597 372 1HG1 VAL 48 1HG1 VAL 48 -2.809 0.941 0.941 373 2HG1 VAL 48 3HG1 VAL 48 -3.977 0.529 0.529 374 3HG1 VAL 48 2HG1 VAL 48 -2.276 0.755 0.755 375 1HG2 VAL 48 3HG2 VAL 48 -3.673 -1.877 -1.877 376 2HG2 VAL 48 2HG2 VAL 48 -4.161 -2.657 -2.657 377 3HG2 VAL 48 1HG2 VAL 48 -4.759 -1.046 -1.046 378 H LYS 49 H LYS 49 -0.090 -2.755 -2.755 379 HA LYS 49 HA LYS 49 1.409 -0.818 -0.818 380 1HB LYS 49 2HB LYS 49 1.085 -3.168 -3.168 381 2HB LYS 49 1HB LYS 49 2.113 -3.717 -3.717 382 1HG LYS 49 2HG LYS 49 3.586 -1.695 -1.695 383 2HG LYS 49 1HG LYS 49 2.881 -2.681 -2.681 384 1HD LYS 49 2HD LYS 49 4.024 -4.203 -4.203 385 2HD LYS 49 1HD LYS 49 5.197 -3.312 -3.312 386 1HE LYS 49 2HE LYS 49 3.127 -4.859 -4.859 387 2HE LYS 49 1HE LYS 49 4.380 -5.788 -5.788 388 1HZ LYS 49 3HZ LYS 49 4.928 -3.526 -3.526 389 2HZ LYS 49 2HZ LYS 49 4.955 -5.161 -5.161 390 3HZ LYS 49 1HZ LYS 49 6.064 -4.582 -4.582 391 H ALA 50 H ALA 50 1.785 -2.151 -2.151 392 HA ALA 50 HA ALA 50 4.622 -1.508 -1.508 393 1HB ALA 50 3HB ALA 50 2.612 -2.900 -2.900 394 2HB ALA 50 2HB ALA 50 3.568 -1.802 -1.802 395 3HB ALA 50 1HB ALA 50 4.367 -3.047 -3.047 396 H ILE 51 H ILE 51 1.518 -0.008 -0.008 397 HA ILE 51 HA ILE 51 2.691 2.117 2.117 398 HB ILE 51 HB ILE 51 0.279 1.507 1.507 399 1HG1 ILE 51 2HG1 ILE 51 -0.549 3.970 3.970 400 2HG1 ILE 51 1HG1 ILE 51 1.135 4.325 4.325 401 1HG2 ILE 51 1HG2 ILE 51 0.419 2.249 2.249 402 2HG2 ILE 51 3HG2 ILE 51 -0.963 2.918 2.918 403 3HG2 ILE 51 2HG2 ILE 51 -0.700 1.177 1.177 404 1HD1 ILE 51 1HD1 ILE 51 0.185 2.858 2.858 405 2HD1 ILE 51 3HD1 ILE 51 0.646 4.560 4.560 406 3HD1 ILE 51 2HD1 ILE 51 1.850 3.310 3.310 407 H CYS 52 H CYS 52 2.460 1.586 1.586 408 HA CYS 52 HA CYS 52 3.210 4.403 4.403 409 1HB CYS 52 2HB CYS 52 1.367 2.773 2.773 410 2HB CYS 52 1HB CYS 52 2.767 2.622 2.622 411 H THR 53 H THR 53 5.033 2.230 2.230 412 HA THR 53 HA THR 53 6.907 1.780 1.780 413 HB THR 53 HB THR 53 7.266 0.999 0.999 414 HG1 THR 53 HG1 THR 53 6.506 -1.062 -1.062 415 1HG2 THR 53 3HG2 THR 53 8.482 -0.004 -0.004 416 2HG2 THR 53 2HG2 THR 53 8.778 -0.700 -0.700 417 3HG2 THR 53 1HG2 THR 53 9.306 0.944 0.944 418 H GLY 54 H GLY 54 8.324 3.392 3.392 419 1HA GLY 54 2HA GLY 54 9.929 4.630 4.630 420 2HA GLY 54 1HA GLY 54 8.820 5.754 5.754 421 H VAL 55 H VAL 55 8.918 5.463 5.463 422 HA VAL 55 HA VAL 55 11.531 4.765 4.765 423 HB VAL 55 HB VAL 55 11.723 7.062 7.062 424 1HG1 VAL 55 1HG1 VAL 55 9.562 7.867 7.867 425 2HG1 VAL 55 3HG1 VAL 55 10.674 8.223 8.223 426 3HG1 VAL 55 2HG1 VAL 55 10.897 8.992 8.992 427 1HG2 VAL 55 1HG2 VAL 55 13.028 5.952 5.952 428 2HG2 VAL 55 3HG2 VAL 55 13.600 7.297 7.297 429 3HG2 VAL 55 2HG2 VAL 55 12.697 7.613 7.613 430 H ILE 56 H ILE 56 11.329 6.276 6.276 431 HA ILE 56 HA ILE 56 9.011 4.914 4.914 432 HB ILE 56 HB ILE 56 11.259 4.782 4.782 433 1HG1 ILE 56 2HG1 ILE 56 9.606 6.422 6.422 434 2HG1 ILE 56 1HG1 ILE 56 8.977 4.881 4.881 435 1HG2 ILE 56 3HG2 ILE 56 10.951 7.772 7.772 436 2HG2 ILE 56 2HG2 ILE 56 11.920 6.971 6.971 437 3HG2 ILE 56 1HG2 ILE 56 12.344 6.801 6.801 438 1HD1 ILE 56 2HD1 ILE 56 11.545 4.191 4.191 439 2HD1 ILE 56 1HD1 ILE 56 11.198 5.425 5.425 440 3HD1 ILE 56 3HD1 ILE 56 10.162 4.005 4.005 441 H ASN 57 H ASN 57 8.634 7.327 7.327 442 HA ASN 57 HA ASN 57 6.497 8.665 8.665 443 1HB ASN 57 2HB ASN 57 8.598 9.524 9.524 444 2HB ASN 57 1HB ASN 57 8.874 10.510 10.510 445 1HD2 ASN 57 2HD2 ASN 57 6.308 12.786 12.786 446 2HD2 ASN 57 1HD2 ASN 57 7.621 12.390 12.390 447 H MET 58 H MET 58 5.430 9.182 9.182 448 HA MET 58 HA MET 58 6.784 10.808 10.808 449 1HB MET 58 2HB MET 58 7.174 8.152 8.152 450 2HB MET 58 1HB MET 58 5.636 8.301 8.301 451 1HG MET 58 2HG MET 58 7.251 10.474 10.474 452 2HG MET 58 1HG MET 58 8.262 9.030 9.030 453 1HE MET 58 2HE MET 58 8.634 8.085 8.085 454 2HE MET 58 1HE MET 58 7.623 7.856 7.856 455 3HE MET 58 3HE MET 58 8.241 9.464 9.464 456 H ASN 59 H ASN 59 5.290 10.932 10.932 457 HA ASN 59 HA ASN 59 2.388 10.872 10.872 458 1HB ASN 59 2HB ASN 59 2.172 13.166 13.166 459 2HB ASN 59 1HB ASN 59 3.049 13.174 13.174 460 1HD2 ASN 59 2HD2 ASN 59 4.953 14.285 14.285 461 2HD2 ASN 59 1HD2 ASN 59 3.323 13.809 13.809 462 H VAL 60 H VAL 60 1.633 9.530 9.530 463 HA VAL 60 HA VAL 60 2.483 10.044 10.044 464 HB VAL 60 HB VAL 60 3.912 8.240 8.240 465 1HG1 VAL 60 3HG1 VAL 60 2.162 7.582 7.582 466 2HG1 VAL 60 2HG1 VAL 60 1.408 6.625 6.625 467 3HG1 VAL 60 1HG1 VAL 60 3.057 6.271 6.271 468 1HG2 VAL 60 3HG2 VAL 60 2.886 8.155 8.155 469 2HG2 VAL 60 2HG2 VAL 60 3.543 6.648 6.648 470 3HG2 VAL 60 1HG2 VAL 60 1.801 6.924 6.924 471 H LEU 61 H LEU 61 0.962 8.814 8.814 472 HA LEU 61 HA LEU 61 -1.745 8.412 8.412 473 1HB LEU 61 2HB LEU 61 -1.138 9.991 9.991 474 2HB LEU 61 1HB LEU 61 -2.737 9.672 9.672 475 HG LEU 61 HG LEU 61 -1.609 10.781 10.781 476 1HD1 LEU 61 1HD1 LEU 61 0.563 11.108 11.108 477 2HD1 LEU 61 3HD1 LEU 61 -0.273 12.171 12.171 478 3HD1 LEU 61 2HD1 LEU 61 -0.144 12.618 12.618 479 1HD2 LEU 61 2HD2 LEU 61 -3.620 11.425 11.425 480 2HD2 LEU 61 1HD2 LEU 61 -2.941 12.622 12.622 481 3HD2 LEU 61 3HD2 LEU 61 -2.491 12.637 12.637 482 H SER 62 H SER 62 -2.724 6.591 6.591 483 HA SER 62 HA SER 62 -1.510 4.762 4.762 484 1HB SER 62 2HB SER 62 -4.244 4.200 4.200 485 2HB SER 62 1HB SER 62 -3.093 3.474 3.474 486 HG SER 62 HG SER 62 -3.694 4.907 4.907 487 H THR 63 H THR 63 -0.975 5.917 5.917 488 HA THR 63 HA THR 63 -2.934 7.560 7.560 489 HB THR 63 HB THR 63 -1.045 7.522 7.522 490 HG1 THR 63 HG1 THR 63 0.914 6.815 6.815 491 1HG2 THR 63 1HG2 THR 63 -1.519 9.068 9.068 492 2HG2 THR 63 3HG2 THR 63 0.195 8.666 8.666 493 3HG2 THR 63 2HG2 THR 63 -0.429 9.476 9.476 494 H THR 64 H THR 64 -1.434 4.380 4.380 495 HA THR 64 HA THR 64 -2.519 3.800 3.800 496 HB THR 64 HB THR 64 -2.580 1.342 1.342 497 HG1 THR 64 HG1 THR 64 -0.792 2.542 2.542 498 1HG2 THR 64 3HG2 THR 64 -0.925 2.375 2.375 499 2HG2 THR 64 2HG2 THR 64 0.037 2.846 2.846 500 3HG2 THR 64 1HG2 THR 64 -0.249 1.139 1.139 501 H ARG 65 H ARG 65 -3.962 1.901 1.901 502 HA ARG 65 HA ARG 65 -6.501 3.065 3.065 503 1HB ARG 65 2HB ARG 65 -7.863 1.650 1.650 504 2HB ARG 65 1HB ARG 65 -6.846 2.822 2.822 505 1HG ARG 65 2HG ARG 65 -5.102 0.842 0.842 506 2HG ARG 65 1HG ARG 65 -6.544 -0.153 -0.153 507 1HD ARG 65 2HD ARG 65 -7.429 1.443 1.443 508 2HD ARG 65 1HD ARG 65 -5.702 1.511 1.511 509 HE ARG 65 HE ARG 65 -7.395 -0.731 -0.731 510 1HH1 ARG 65 2HH1 ARG 65 -4.312 0.224 0.224 511 2HH1 ARG 65 1HH1 ARG 65 -3.555 -1.300 -1.300 512 1HH2 ARG 65 1HH2 ARG 65 -6.433 -2.756 -2.756 513 2HH2 ARG 65 2HH2 ARG 65 -4.756 -2.987 -2.987 514 H PHE 66 H PHE 66 -6.524 2.137 2.137 515 HA PHE 66 HA PHE 66 -6.188 -0.831 -0.831 516 1HB PHE 66 2HB PHE 66 -6.246 1.402 1.402 517 2HB PHE 66 1HB PHE 66 -6.213 -0.303 -0.303 518 HD1 PHE 66 HD1 PHE 66 -4.377 2.330 2.330 519 HD2 PHE 66 HD2 PHE 66 -4.160 -1.553 -1.553 520 HE1 PHE 66 HE1 PHE 66 -1.929 2.292 2.292 521 HE2 PHE 66 HE2 PHE 66 -1.712 -1.578 -1.578 522 HZ PHE 66 HZ PHE 66 -0.596 0.341 0.341 523 H GLN 67 H GLN 67 -8.473 -0.212 -0.212 524 HA GLN 67 HA GLN 67 -10.881 0.052 0.052 525 1HB GLN 67 2HB GLN 67 -10.112 -2.698 -2.698 526 2HB GLN 67 1HB GLN 67 -11.693 -2.265 -2.265 527 1HG GLN 67 2HG GLN 67 -9.641 -1.351 -1.351 528 2HG GLN 67 1HG GLN 67 -9.376 -3.054 -3.054 529 1HE2 GLN 67 2HE2 GLN 67 -12.558 -1.957 -1.957 530 2HE2 GLN 67 1HE2 GLN 67 -11.518 -0.790 -0.790 531 H LEU 68 H LEU 68 -12.020 1.310 1.310 532 HA LEU 68 HA LEU 68 -12.123 0.344 0.344 533 1HB LEU 68 2HB LEU 68 -13.206 2.654 2.654 534 2HB LEU 68 1HB LEU 68 -11.482 2.579 2.579 535 HG LEU 68 HG LEU 68 -11.779 3.354 3.354 536 1HD1 LEU 68 3HD1 LEU 68 -14.708 2.863 2.863 537 2HD1 LEU 68 2HD1 LEU 68 -14.190 3.985 3.985 538 3HD1 LEU 68 1HD1 LEU 68 -13.737 2.285 2.285 539 1HD2 LEU 68 2HD2 LEU 68 -11.943 5.010 5.010 540 2HD2 LEU 68 1HD2 LEU 68 -12.700 5.552 5.552 541 3HD2 LEU 68 3HD2 LEU 68 -13.694 4.935 4.935 542 H ASN 69 H ASN 69 -14.075 0.329 0.329 543 HA ASN 69 HA ASN 69 -16.587 -0.001 -0.001 544 1HB ASN 69 2HB ASN 69 -15.540 -2.052 -2.052 545 2HB ASN 69 1HB ASN 69 -16.244 -1.233 -1.233 546 1HD2 ASN 69 2HD2 ASN 69 -18.696 -3.589 -3.589 547 2HD2 ASN 69 1HD2 ASN 69 -17.046 -3.807 -3.807 548 H THR 70 H THR 70 -17.332 2.161 2.161 549 HA THR 70 HA THR 70 -17.246 3.235 3.235 550 HB THR 70 HB THR 70 -17.921 4.737 4.737 551 HG1 THR 70 HG1 THR 70 -15.847 3.861 3.861 552 1HG2 THR 70 2HG2 THR 70 -18.091 5.427 5.427 553 2HG2 THR 70 1HG2 THR 70 -16.595 6.170 6.170 554 3HG2 THR 70 3HG2 THR 70 -18.121 6.532 6.532 555 H CYS 71 H CYS 71 -18.936 3.448 3.448 556 HA CYS 71 HA CYS 71 -21.692 3.418 3.418 557 1HB CYS 71 2HB CYS 71 -20.786 2.619 2.619 558 2HB CYS 71 1HB CYS 71 -22.467 2.726 2.726 559 H THR 72 H THR 72 -22.159 5.594 5.594 560 HA THR 72 HA THR 72 -21.107 7.433 7.433 561 HB THR 72 HB THR 72 -22.152 8.242 8.242 562 HG1 THR 72 HG1 THR 72 -20.054 8.029 8.029 563 1HG2 THR 72 1HG2 THR 72 -20.346 9.508 9.508 564 2HG2 THR 72 3HG2 THR 72 -20.465 10.103 10.103 565 3HG2 THR 72 2HG2 THR 72 -21.884 10.117 10.117 566 H ARG 73 H ARG 73 -22.420 8.959 8.959 567 HA ARG 73 HA ARG 73 -25.181 8.342 8.342 568 1HB ARG 73 2HB ARG 73 -23.444 9.727 9.727 569 2HB ARG 73 1HB ARG 73 -24.098 11.085 11.085 570 1HG ARG 73 2HG ARG 73 -26.367 10.521 10.521 571 2HG ARG 73 1HG ARG 73 -25.758 9.108 9.108 572 1HD ARG 73 2HD ARG 73 -25.642 10.504 10.504 573 2HD ARG 73 1HD ARG 73 -24.172 11.106 11.106 574 HE ARG 73 HE ARG 73 -25.594 12.905 12.905 575 1HH1 ARG 73 2HH1 ARG 73 -27.800 10.960 10.960 576 2HH1 ARG 73 1HH1 ARG 73 -28.501 12.179 12.179 577 1HH2 ARG 73 1HH2 ARG 73 -26.061 14.542 14.542 578 2HH2 ARG 73 2HH2 ARG 73 -27.517 14.207 14.207 579 H THR 74 H THR 74 -26.773 8.662 8.662 580 HA THR 74 HA THR 74 -26.481 10.982 10.982 581 HB THR 74 HB THR 74 -28.241 9.578 9.578 582 HG1 THR 74 HG1 THR 74 -28.472 7.576 7.576 583 1HG2 THR 74 1HG2 THR 74 -25.761 10.056 10.056 584 2HG2 THR 74 3HG2 THR 74 -25.447 8.451 8.451 585 3HG2 THR 74 2HG2 THR 74 -26.470 8.633 8.633 586 H SER 75 H SER 75 -29.444 9.115 9.115 587 HA SER 75 HA SER 75 -30.633 11.492 11.492 588 1HB SER 75 2HB SER 75 -31.038 11.439 11.439 589 2HB SER 75 1HB SER 75 -32.164 10.133 10.133 590 HG SER 75 HG SER 75 -33.455 11.775 11.775 591 H ILE 76 H ILE 76 -32.500 10.995 10.995 592 HA ILE 76 HA ILE 76 -32.504 8.430 8.430 593 HB ILE 76 HB ILE 76 -34.578 9.258 9.258 594 1HG1 ILE 76 2HG1 ILE 76 -34.763 11.905 11.905 595 2HG1 ILE 76 1HG1 ILE 76 -34.483 11.088 11.088 596 1HG2 ILE 76 1HG2 ILE 76 -32.163 9.954 9.954 597 2HG2 ILE 76 3HG2 ILE 76 -32.558 11.494 11.494 598 3HG2 ILE 76 2HG2 ILE 76 -33.473 10.945 10.945 599 1HD1 ILE 76 3HD1 ILE 76 -36.404 9.620 9.620 600 2HD1 ILE 76 2HD1 ILE 76 -36.922 11.286 11.286 601 3HD1 ILE 76 1HD1 ILE 76 -36.574 10.255 10.255 602 H THR 77 H THR 77 -33.331 6.584 6.584 603 HA THR 77 HA THR 77 -35.949 6.290 6.290 604 HB THR 77 HB THR 77 -33.714 6.580 6.580 605 HG1 THR 77 HG1 THR 77 -35.272 7.719 7.719 606 1HG2 THR 77 1HG2 THR 77 -36.162 4.839 4.839 607 2HG2 THR 77 3HG2 THR 77 -35.014 5.329 5.329 608 3HG2 THR 77 2HG2 THR 77 -34.497 4.264 4.264 609 HA PRO 78 HA PRO 78 -33.750 2.039 2.039 610 1HB PRO 78 2HB PRO 78 -31.009 1.957 1.957 611 2HB PRO 78 1HB PRO 78 -31.886 1.998 1.998 612 1HG PRO 78 2HG PRO 78 -30.410 4.206 4.206 613 2HG PRO 78 1HG PRO 78 -30.641 3.925 3.925 614 1HD PRO 78 2HD PRO 78 -32.078 5.792 5.792 615 2HD PRO 78 1HD PRO 78 -32.591 5.116 5.116 616 H ARG 79 H ARG 79 -31.813 0.956 0.956 617 HA ARG 79 HA ARG 79 -31.696 2.530 2.530 618 1HB ARG 79 2HB ARG 79 -33.665 0.385 0.385 619 2HB ARG 79 1HB ARG 79 -32.711 0.184 0.184 620 1HG ARG 79 2HG ARG 79 -33.387 2.296 2.296 621 2HG ARG 79 1HG ARG 79 -34.000 2.823 2.823 622 1HD ARG 79 2HD ARG 79 -35.604 0.766 0.766 623 2HD ARG 79 1HD ARG 79 -35.212 0.879 0.879 624 HE ARG 79 HE ARG 79 -36.956 2.668 2.668 625 1HH1 ARG 79 2HH1 ARG 79 -34.908 4.642 4.642 626 2HH1 ARG 79 1HH1 ARG 79 -35.315 5.096 5.096 627 1HH2 ARG 79 1HH2 ARG 79 -37.336 2.336 2.336 628 2HH2 ARG 79 2HH2 ARG 79 -36.686 3.793 3.793 629 HA PRO 80 HA PRO 80 -31.546 1.455 1.455 630 1HB PRO 80 2HB PRO 80 -29.422 1.997 1.997 631 2HB PRO 80 1HB PRO 80 -30.250 0.430 0.430 632 1HG PRO 80 2HG PRO 80 -27.597 1.200 1.200 633 2HG PRO 80 1HG PRO 80 -28.148 -0.375 -0.375 634 1HD PRO 80 2HD PRO 80 -27.956 0.340 0.340 635 2HD PRO 80 1HD PRO 80 -28.920 -1.011 -1.011 636 H CYS 81 H CYS 81 -28.464 2.696 2.696 637 HA CYS 81 HA CYS 81 -29.461 5.479 5.479 638 1HB CYS 81 2HB CYS 81 -26.862 4.265 4.265 639 2HB CYS 81 1HB CYS 81 -26.761 5.521 5.521 640 HA PRO 82 HA PRO 82 -29.860 5.809 5.809 641 1HB PRO 82 2HB PRO 82 -29.118 8.409 8.409 642 2HB PRO 82 1HB PRO 82 -30.661 7.961 7.961 643 1HG PRO 82 2HG PRO 82 -28.222 9.110 9.110 644 2HG PRO 82 1HG PRO 82 -29.921 9.283 9.283 645 1HD PRO 82 2HD PRO 82 -28.062 7.577 7.577 646 2HD PRO 82 1HD PRO 82 -29.832 7.472 7.472 647 H TYR 83 H TYR 83 -28.236 4.475 4.475 648 HA TYR 83 HA TYR 83 -25.703 5.870 5.870 649 1HB TYR 83 2HB TYR 83 -25.930 3.295 3.295 650 2HB TYR 83 1HB TYR 83 -24.594 3.520 3.520 651 HD1 TYR 83 HD2 TYR 83 -26.367 5.258 5.258 652 HD2 TYR 83 HD1 TYR 83 -22.695 4.656 4.656 653 HE1 TYR 83 HE2 TYR 83 -25.174 6.662 6.662 654 HE2 TYR 83 HE1 TYR 83 -21.505 6.054 6.054 655 HH TYR 83 HH TYR 83 -21.825 7.614 7.614 656 H SER 84 H SER 84 -24.994 5.422 5.422 657 HA SER 84 HA SER 84 -26.458 3.317 3.317 658 1HB SER 84 2HB SER 84 -25.650 4.803 4.803 659 2HB SER 84 1HB SER 84 -27.001 5.399 5.399 660 HG SER 84 HG SER 84 -24.334 6.247 6.247 661 H SER 85 H SER 85 -25.145 1.637 1.637 662 HA SER 85 HA SER 85 -22.243 1.826 1.826 663 1HB SER 85 2HB SER 85 -22.374 -0.637 -0.637 664 2HB SER 85 1HB SER 85 -23.215 -0.215 -0.215 665 HG SER 85 HG SER 85 -24.666 -1.338 -1.338 666 H ARG 86 H ARG 86 -20.661 1.654 1.654 667 HA ARG 86 HA ARG 86 -21.367 1.248 1.248 668 1HB ARG 86 2HB ARG 86 -21.760 3.708 3.708 669 2HB ARG 86 1HB ARG 86 -20.042 3.843 3.843 670 1HG ARG 86 2HG ARG 86 -19.413 3.195 3.195 671 2HG ARG 86 1HG ARG 86 -21.057 2.694 2.694 672 1HD ARG 86 2HD ARG 86 -20.869 5.492 5.492 673 2HD ARG 86 1HD ARG 86 -19.978 5.161 5.161 674 HE ARG 86 HE ARG 86 -22.365 3.972 3.972 675 1HH1 ARG 86 2HH1 ARG 86 -23.264 5.941 5.941 676 2HH1 ARG 86 1HH1 ARG 86 -23.893 7.230 7.230 677 1HH2 ARG 86 1HH2 ARG 86 -22.413 6.101 6.101 678 2HH2 ARG 86 2HH2 ARG 86 -23.411 7.321 7.321 679 H THR 87 H THR 87 -19.407 1.059 1.059 680 HA THR 87 HA THR 87 -16.892 0.569 0.569 681 HB THR 87 HB THR 87 -17.908 -1.146 -1.146 682 HG1 THR 87 HG1 THR 87 -18.875 -2.334 -2.334 683 1HG2 THR 87 2HG2 THR 87 -15.633 -1.455 -1.455 684 2HG2 THR 87 1HG2 THR 87 -16.134 -2.691 -2.691 685 3HG2 THR 87 3HG2 THR 87 -15.485 -1.157 -1.157 686 H GLU 88 H GLU 88 -14.994 1.231 1.231 687 HA GLU 88 HA GLU 88 -14.898 1.802 1.802 688 1HB GLU 88 2HB GLU 88 -16.067 3.809 3.809 689 2HB GLU 88 1HB GLU 88 -14.431 4.377 4.377 690 1HG GLU 88 2HG GLU 88 -15.025 4.963 4.963 691 2HG GLU 88 1HG GLU 88 -15.451 3.292 3.292 692 H THR 89 H THR 89 -12.896 3.608 3.608 693 HA THR 89 HA THR 89 -10.534 2.150 2.150 694 HB THR 89 HB THR 89 -10.871 5.066 5.066 695 HG1 THR 89 HG1 THR 89 -10.916 4.299 4.299 696 1HG2 THR 89 2HG2 THR 89 -8.548 3.597 3.597 697 2HG2 THR 89 1HG2 THR 89 -8.410 3.937 3.937 698 3HG2 THR 89 3HG2 THR 89 -8.650 5.257 5.257 699 H ASN 90 H ASN 90 -9.005 2.573 2.573 700 HA ASN 90 HA ASN 90 -10.067 4.334 4.334 701 1HB ASN 90 2HB ASN 90 -9.726 1.829 1.829 702 2HB ASN 90 1HB ASN 90 -8.007 2.205 2.205 703 1HD2 ASN 90 2HD2 ASN 90 -8.436 2.881 2.881 704 2HD2 ASN 90 1HD2 ASN 90 -7.781 1.814 1.814 705 H TYR 91 H TYR 91 -9.207 6.220 6.220 706 HA TYR 91 HA TYR 91 -6.237 6.529 6.529 707 1HB TYR 91 2HB TYR 91 -8.058 7.590 7.590 708 2HB TYR 91 1HB TYR 91 -8.112 8.827 8.827 709 HD1 TYR 91 HD1 TYR 91 -5.781 9.711 9.711 710 HD2 TYR 91 HD2 TYR 91 -6.404 7.694 7.694 711 HE1 TYR 91 HE1 TYR 91 -3.683 10.700 10.700 712 HE2 TYR 91 HE2 TYR 91 -4.308 8.679 8.679 713 HH TYR 91 HH TYR 91 -2.274 9.661 9.661 714 H ILE 92 H ILE 92 -5.620 6.631 6.631 715 HA ILE 92 HA ILE 92 -7.203 8.497 8.497 716 HB ILE 92 HB ILE 92 -5.839 5.947 5.947 717 1HG1 ILE 92 2HG1 ILE 92 -7.663 5.406 5.406 718 2HG1 ILE 92 1HG1 ILE 92 -8.114 4.969 4.969 719 1HG2 ILE 92 1HG2 ILE 92 -7.820 7.812 7.812 720 2HG2 ILE 92 3HG2 ILE 92 -7.341 6.255 6.255 721 3HG2 ILE 92 2HG2 ILE 92 -6.154 7.541 7.541 722 1HD1 ILE 92 3HD1 ILE 92 -8.948 7.644 7.644 723 2HD1 ILE 92 2HD1 ILE 92 -9.399 6.842 6.842 724 3HD1 ILE 92 1HD1 ILE 92 -9.977 6.213 6.213 725 H CYS 93 H CYS 93 -6.033 9.326 9.326 726 HA CYS 93 HA CYS 93 -3.104 9.727 9.727 727 1HB CYS 93 2HB CYS 93 -4.437 11.798 11.798 728 2HB CYS 93 1HB CYS 93 -5.075 11.602 11.602 729 H VAL 94 H VAL 94 -2.098 8.330 8.330 730 HA VAL 94 HA VAL 94 -3.092 8.183 8.183 731 HB VAL 94 HB VAL 94 -3.115 6.070 6.070 732 1HG1 VAL 94 3HG1 VAL 94 -0.127 6.324 6.324 733 2HG1 VAL 94 2HG1 VAL 94 -0.940 4.859 4.859 734 3HG1 VAL 94 1HG1 VAL 94 -0.980 6.313 6.313 735 1HG2 VAL 94 3HG2 VAL 94 -2.922 6.369 6.369 736 2HG2 VAL 94 2HG2 VAL 94 -2.858 4.775 4.775 737 3HG2 VAL 94 1HG2 VAL 94 -1.365 5.582 5.582 738 H LYS 95 H LYS 95 -1.192 7.568 7.568 739 HA LYS 95 HA LYS 95 1.232 9.067 9.067 740 1HB LYS 95 2HB LYS 95 -0.500 9.361 9.361 741 2HB LYS 95 1HB LYS 95 1.241 9.572 9.572 742 1HG LYS 95 2HG LYS 95 1.188 11.180 11.180 743 2HG LYS 95 1HG LYS 95 -0.571 11.088 11.088 744 1HD LYS 95 2HD LYS 95 -0.571 11.919 11.919 745 2HD LYS 95 1HD LYS 95 1.193 11.944 11.944 746 1HE LYS 95 2HE LYS 95 1.021 13.492 13.492 747 2HE LYS 95 1HE LYS 95 -0.684 13.663 13.663 748 1HZ LYS 95 2HZ LYS 95 1.503 14.154 14.154 749 2HZ LYS 95 1HZ LYS 95 0.851 15.379 15.379 750 3HZ LYS 95 3HZ LYS 95 -0.135 14.582 14.582 751 H CYS 96 H CYS 96 3.230 8.109 8.109 752 HA CYS 96 HA CYS 96 2.895 5.344 5.344 753 1HB CYS 96 2HB CYS 96 5.388 6.280 6.280 754 2HB CYS 96 1HB CYS 96 4.731 4.652 4.652 755 H GLU 97 H GLU 97 3.413 5.049 5.049 756 HA GLU 97 HA GLU 97 5.943 6.203 6.203 757 1HB GLU 97 2HB GLU 97 4.136 7.343 7.343 758 2HB GLU 97 1HB GLU 97 3.318 5.814 5.814 759 1HG GLU 97 2HG GLU 97 4.964 5.113 5.113 760 2HG GLU 97 1HG GLU 97 6.142 6.284 6.284 761 H ASN 98 H ASN 98 7.179 4.509 4.509 762 HA ASN 98 HA ASN 98 7.862 2.226 2.226 763 1HB ASN 98 2HB ASN 98 4.899 2.064 2.064 764 2HB ASN 98 1HB ASN 98 5.956 0.654 0.654 765 1HD2 ASN 98 1HD2 ASN 98 4.803 3.300 3.300 766 2HD2 ASN 98 2HD2 ASN 98 5.957 3.262 3.262 767 H GLN 99 H GLN 99 7.034 3.362 3.362 768 HA GLN 99 HA GLN 99 6.579 2.908 2.908 769 1HB GLN 99 2HB GLN 99 7.537 0.802 0.802 770 2HB GLN 99 1HB GLN 99 8.642 1.645 1.645 771 1HG GLN 99 2HG GLN 99 8.171 0.118 0.118 772 2HG GLN 99 1HG GLN 99 6.842 -0.616 -0.616 773 1HE2 GLN 99 2HE2 GLN 99 8.969 -2.616 -2.616 774 2HE2 GLN 99 1HE2 GLN 99 7.413 -1.955 -1.955 775 H TYR 100 H TYR 100 4.443 1.884 1.884 776 HA TYR 100 HA TYR 100 2.813 0.526 0.526 777 1HB TYR 100 2HB TYR 100 2.140 -1.086 -1.086 778 2HB TYR 100 1HB TYR 100 3.414 -0.540 -0.540 779 HD1 TYR 100 HD2 TYR 100 -0.167 0.295 0.295 780 HD2 TYR 100 HD1 TYR 100 2.820 0.088 0.088 781 HE1 TYR 100 HE2 TYR 100 -1.844 1.003 1.003 782 HE2 TYR 100 HE1 TYR 100 1.128 0.785 0.785 783 HH TYR 100 HH TYR 100 -1.902 2.062 2.062 784 HA PRO 101 HA PRO 101 0.493 4.271 4.271 785 1HB PRO 101 2HB PRO 101 -2.070 3.328 3.328 786 2HB PRO 101 1HB PRO 101 -0.873 3.587 3.587 787 1HG PRO 101 2HG PRO 101 -1.687 1.014 1.014 788 2HG PRO 101 1HG PRO 101 -1.242 1.309 1.309 789 1HD PRO 101 2HD PRO 101 0.493 0.169 0.169 790 2HD PRO 101 1HD PRO 101 1.043 1.178 1.178 791 H VAL 102 H VAL 102 0.912 4.662 4.662 792 HA VAL 102 HA VAL 102 -0.745 3.434 3.434 793 HB VAL 102 HB VAL 102 1.479 5.489 5.489 794 1HG1 VAL 102 2HG1 VAL 102 -0.079 4.401 4.401 795 2HG1 VAL 102 1HG1 VAL 102 1.455 5.265 5.265 796 3HG1 VAL 102 3HG1 VAL 102 0.032 6.085 6.085 797 1HG2 VAL 102 1HG2 VAL 102 1.647 2.801 2.801 798 2HG2 VAL 102 3HG2 VAL 102 2.870 3.771 3.771 799 3HG2 VAL 102 2HG2 VAL 102 1.636 2.941 2.941 800 H HIS 103 H HIS 103 -0.818 6.324 6.324 801 HA HIS 103 HA HIS 103 -3.098 7.296 7.296 802 1HB HIS 103 2HB HIS 103 -1.736 9.625 9.625 803 2HB HIS 103 1HB HIS 103 -1.893 9.071 9.071 804 HD1 HIS 103 HD1 HIS 103 0.375 9.148 9.148 805 HD2 HIS 103 HD2 HIS 103 0.604 7.740 7.740 806 HE1 HIS 103 HE1 HIS 103 2.796 8.498 8.498 807 H PHE 104 H PHE 104 -4.717 8.364 8.364 808 HA PHE 104 HA PHE 104 -4.153 8.231 8.231 809 1HB PHE 104 2HB PHE 104 -6.404 7.181 7.181 810 2HB PHE 104 1HB PHE 104 -6.991 8.549 8.549 811 HD1 PHE 104 HD2 PHE 104 -4.973 8.393 8.393 812 HD2 PHE 104 HD1 PHE 104 -7.321 5.351 5.351 813 HE1 PHE 104 HE2 PHE 104 -4.817 7.041 7.041 814 HE2 PHE 104 HE1 PHE 104 -7.189 3.974 3.974 815 HZ PHE 104 HZ PHE 104 -5.947 4.824 4.824 816 H ALA 105 H ALA 105 -4.230 10.099 10.099 817 HA ALA 105 HA ALA 105 -4.790 12.596 12.596 818 1HB ALA 105 1HB ALA 105 -2.590 12.273 12.273 819 2HB ALA 105 3HB ALA 105 -3.433 12.271 12.271 820 3HB ALA 105 2HB ALA 105 -3.449 13.716 13.716 821 H GLY 106 H GLY 106 -6.055 10.771 10.771 822 1HA GLY 106 2HA GLY 106 -8.482 12.260 12.260 823 2HA GLY 106 1HA GLY 106 -7.408 12.883 12.883 824 H ILE 107 H ILE 107 -9.569 11.894 11.894 825 HA ILE 107 HA ILE 107 -9.288 9.013 9.013 826 HB ILE 107 HB ILE 107 -11.443 9.360 9.360 827 1HG1 ILE 107 2HG1 ILE 107 -11.576 12.061 12.061 828 2HG1 ILE 107 1HG1 ILE 107 -10.837 11.903 11.903 829 1HG2 ILE 107 2HG2 ILE 107 -11.014 9.888 9.888 830 2HG2 ILE 107 1HG2 ILE 107 -12.635 10.162 10.162 831 3HG2 ILE 107 3HG2 ILE 107 -11.886 8.571 8.571 832 1HD1 ILE 107 3HD1 ILE 107 -13.571 10.779 10.779 833 2HD1 ILE 107 2HD1 ILE 107 -13.345 12.427 12.427 834 3HD1 ILE 107 1HD1 ILE 107 -12.847 11.059 11.059 835 H GLY 108 H GLY 108 -7.373 11.121 11.121 836 1HA GLY 108 2HA GLY 108 -6.282 10.316 10.316 837 2HA GLY 108 1HA GLY 108 -7.823 10.802 10.802 838 H ARG 109 H ARG 109 -8.430 13.153 13.153 839 HA ARG 109 HA ARG 109 -6.551 15.012 15.012 840 1HB ARG 109 2HB ARG 109 -9.147 15.239 15.239 841 2HB ARG 109 1HB ARG 109 -8.154 16.683 16.683 842 1HG ARG 109 2HG ARG 109 -9.214 16.865 16.865 843 2HG ARG 109 1HG ARG 109 -8.078 15.622 15.622 844 1HD ARG 109 2HD ARG 109 -9.886 14.360 14.360 845 2HD ARG 109 1HD ARG 109 -10.118 14.177 14.177 846 HE ARG 109 HE ARG 109 -11.393 16.413 16.413 847 1HH1 ARG 109 2HH1 ARG 109 -12.457 17.172 17.172 848 2HH1 ARG 109 1HH1 ARG 109 -13.616 16.013 16.013 849 1HH2 ARG 109 1HH2 ARG 109 -12.453 13.467 13.467 850 2HH2 ARG 109 2HH2 ARG 109 -13.612 13.913 13.913 851 H CYS 110 H CYS 110 -4.814 15.917 15.917 852 HA CYS 110 HA CYS 110 -4.740 16.249 16.249 853 1HB CYS 110 2HB CYS 110 -3.189 14.368 14.368 854 2HB CYS 110 1HB CYS 110 -2.129 15.473 15.473 855 HA PRO 111 HA PRO 111 -2.687 20.061 20.061 856 1HB PRO 111 2HB PRO 111 -0.833 20.378 20.378 857 2HB PRO 111 1HB PRO 111 -2.572 20.627 20.627 858 1HG PRO 111 2HG PRO 111 -0.865 18.339 18.339 859 2HG PRO 111 1HG PRO 111 -2.345 18.981 18.981 860 1HD PRO 111 1HD PRO 111 -2.191 16.668 16.668 861 2HD PRO 111 2HD PRO 111 -3.676 17.558 17.558 Start of MODEL 4 1 HN PCA 1 HN PCA 1 -3.270 3.814 3.814 2 HA PCA 1 HA PCA 1 -2.106 4.685 4.685 3 1HB PCA 1 1HB PCA 1 -3.507 5.096 5.096 4 2HB PCA 1 2HB PCA 1 -3.865 3.362 3.362 5 1HG PCA 1 1HG PCA 1 -5.520 5.452 5.452 6 2HG PCA 1 2HG PCA 1 -5.887 3.722 3.722 7 H ASN 2 H ASN 2 -3.766 1.691 1.691 8 HA ASN 2 HA ASN 2 -1.323 0.164 0.164 9 1HB ASN 2 2HB ASN 2 -2.805 0.011 0.011 10 2HB ASN 2 1HB ASN 2 -4.112 -0.565 -0.565 11 1HD2 ASN 2 2HD2 ASN 2 -3.056 -3.878 -3.878 12 2HD2 ASN 2 1HD2 ASN 2 -4.341 -2.770 -2.770 13 H TRP 3 H TRP 3 -1.279 -1.952 -1.952 14 HA TRP 3 HA TRP 3 -2.140 -1.842 -1.842 15 1HB TRP 3 2HB TRP 3 -0.285 -3.323 -3.323 16 2HB TRP 3 1HB TRP 3 -1.359 -4.509 -4.509 17 HD1 TRP 3 HD1 TRP 3 1.773 -3.114 -3.114 18 HE1 TRP 3 HE1 TRP 3 2.458 -3.132 -3.132 19 HE3 TRP 3 HE3 TRP 3 -2.823 -3.683 -3.683 20 HZ2 TRP 3 HZ2 TRP 3 1.251 -3.367 -3.367 21 HZ3 TRP 3 HZ3 TRP 3 -3.003 -3.821 -3.821 22 HH2 TRP 3 HH2 TRP 3 -0.970 -3.666 -3.666 23 H ALA 4 H ALA 4 -3.413 -3.518 -3.518 24 HA ALA 4 HA ALA 4 -5.157 -5.347 -5.347 25 1HB ALA 4 3HB ALA 4 -4.495 -4.735 -4.735 26 2HB ALA 4 2HB ALA 4 -6.248 -4.806 -4.806 27 3HB ALA 4 1HB ALA 4 -5.262 -6.183 -6.183 28 H THR 5 H THR 5 -5.998 -2.468 -2.468 29 HA THR 5 HA THR 5 -8.698 -2.282 -2.282 30 HB THR 5 HB THR 5 -6.950 0.005 0.005 31 HG1 THR 5 HG1 THR 5 -8.600 -1.765 -1.765 32 1HG2 THR 5 2HG2 THR 5 -9.721 -0.220 -0.220 33 2HG2 THR 5 1HG2 THR 5 -9.612 0.195 0.195 34 3HG2 THR 5 3HG2 THR 5 -8.822 1.210 1.210 35 H PHE 6 H PHE 6 -5.640 -1.069 -1.069 36 HA PHE 6 HA PHE 6 -6.819 0.609 0.609 37 1HB PHE 6 2HB PHE 6 -4.527 0.988 0.988 38 2HB PHE 6 1HB PHE 6 -4.066 -0.559 -0.559 39 HD1 PHE 6 HD2 PHE 6 -4.255 -0.909 -0.909 40 HD2 PHE 6 HD1 PHE 6 -4.749 2.990 2.990 41 HE1 PHE 6 HE2 PHE 6 -3.912 0.134 0.134 42 HE2 PHE 6 HE1 PHE 6 -4.415 4.044 4.044 43 HZ PHE 6 HZ PHE 6 -3.993 2.600 2.600 44 H GLN 7 H GLN 7 -6.101 -2.772 -2.772 45 HA GLN 7 HA GLN 7 -5.940 -3.556 -3.556 46 1HB GLN 7 2HB GLN 7 -5.524 -5.110 -5.110 47 2HB GLN 7 1HB GLN 7 -7.263 -5.126 -5.126 48 1HG GLN 7 2HG GLN 7 -7.694 -6.081 -6.081 49 2HG GLN 7 1HG GLN 7 -5.998 -5.913 -5.913 50 1HE2 GLN 7 2HE2 GLN 7 -6.847 -8.750 -8.750 51 2HE2 GLN 7 1HE2 GLN 7 -7.722 -7.296 -7.296 52 H GLN 8 H GLN 8 -8.640 -2.857 -2.857 53 HA GLN 8 HA GLN 8 -10.683 -3.471 -3.471 54 1HB GLN 8 2HB GLN 8 -10.644 -2.372 -2.372 55 2HB GLN 8 1HB GLN 8 -11.973 -1.840 -1.840 56 1HG GLN 8 2HG GLN 8 -12.800 -3.815 -3.815 57 2HG GLN 8 1HG GLN 8 -12.261 -4.342 -4.342 58 1HE2 GLN 8 2HE2 GLN 8 -10.611 -6.025 -6.025 59 2HE2 GLN 8 1HE2 GLN 8 -12.028 -5.091 -5.091 60 H LYS 9 H LYS 9 -8.845 -0.668 -0.668 61 HA LYS 9 HA LYS 9 -10.191 1.485 1.485 62 1HB LYS 9 2HB LYS 9 -8.123 1.718 1.718 63 2HB LYS 9 1HB LYS 9 -7.170 1.120 1.120 64 1HG LYS 9 2HG LYS 9 -7.128 3.566 3.566 65 2HG LYS 9 1HG LYS 9 -7.937 3.017 3.017 66 1HD LYS 9 2HD LYS 9 -9.959 3.864 3.864 67 2HD LYS 9 1HD LYS 9 -9.735 3.377 3.377 68 1HE LYS 9 2HE LYS 9 -8.016 5.270 5.270 69 2HE LYS 9 1HE LYS 9 -8.660 5.838 5.838 70 1HZ LYS 9 1HZ LYS 9 -10.492 5.243 5.243 71 2HZ LYS 9 3HZ LYS 9 -9.652 6.716 6.716 72 3HZ LYS 9 2HZ LYS 9 -10.697 6.316 6.316 73 H HIS 10 H HIS 10 -7.671 -0.371 -0.371 74 HA HIS 10 HA HIS 10 -8.944 0.646 0.646 75 1HB HIS 10 2HB HIS 10 -6.155 0.201 0.201 76 2HB HIS 10 1HB HIS 10 -6.572 -0.627 -0.627 77 HD1 HIS 10 HD1 HIS 10 -5.708 0.920 0.920 78 HD2 HIS 10 HD2 HIS 10 -7.976 2.924 2.924 79 HE1 HIS 10 HE1 HIS 10 -6.095 3.250 3.250 80 H ILE 11 H ILE 11 -9.183 -2.152 -2.152 81 HA ILE 11 HA ILE 11 -9.724 -3.630 -3.630 82 HB ILE 11 HB ILE 11 -8.337 -4.928 -4.928 83 1HG1 ILE 11 2HG1 ILE 11 -6.486 -4.928 -4.928 84 2HG1 ILE 11 1HG1 ILE 11 -7.337 -3.457 -3.457 85 1HG2 ILE 11 1HG2 ILE 11 -9.805 -6.109 -6.109 86 2HG2 ILE 11 3HG2 ILE 11 -8.244 -6.007 -6.007 87 3HG2 ILE 11 2HG2 ILE 11 -8.382 -6.857 -6.857 88 1HD1 ILE 11 3HD1 ILE 11 -6.391 -3.949 -3.949 89 2HD1 ILE 11 2HD1 ILE 11 -5.388 -3.148 -3.148 90 3HD1 ILE 11 1HD1 ILE 11 -6.916 -2.424 -2.424 91 H ILE 12 H ILE 12 -11.966 -2.804 -2.804 92 HA ILE 12 HA ILE 12 -13.228 -4.868 -4.868 93 HB ILE 12 HB ILE 12 -14.454 -2.366 -2.366 94 1HG1 ILE 12 2HG1 ILE 12 -13.464 -2.981 -2.981 95 2HG1 ILE 12 1HG1 ILE 12 -12.867 -1.741 -1.741 96 1HG2 ILE 12 2HG2 ILE 12 -15.528 -4.461 -4.461 97 2HG2 ILE 12 1HG2 ILE 12 -16.326 -2.917 -2.917 98 3HG2 ILE 12 3HG2 ILE 12 -16.129 -4.073 -4.073 99 1HD1 ILE 12 1HD1 ILE 12 -15.654 -1.291 -1.291 100 2HD1 ILE 12 3HD1 ILE 12 -15.005 -1.551 -1.551 101 3HD1 ILE 12 2HD1 ILE 12 -14.335 -0.283 -0.283 102 H ASN 13 H ASN 13 -12.372 -6.204 -6.204 103 HA ASN 13 HA ASN 13 -13.490 -5.976 -5.976 104 1HB ASN 13 2HB ASN 13 -11.473 -7.454 -7.454 105 2HB ASN 13 1HB ASN 13 -12.733 -8.690 -8.690 106 1HD2 ASN 13 2HD2 ASN 13 -11.040 -7.544 -7.544 107 2HD2 ASN 13 1HD2 ASN 13 -10.455 -7.038 -7.038 108 H THR 14 H THR 14 -15.727 -5.630 -5.630 109 HA THR 14 HA THR 14 -17.275 -8.135 -8.135 110 HB THR 14 HB THR 14 -19.057 -6.614 -6.614 111 HG1 THR 14 HG1 THR 14 -18.622 -4.586 -4.586 112 1HG2 THR 14 1HG2 THR 14 -16.367 -7.071 -7.071 113 2HG2 THR 14 3HG2 THR 14 -17.646 -6.248 -6.248 114 3HG2 THR 14 2HG2 THR 14 -17.893 -7.897 -7.897 115 HA PRO 15 HA PRO 15 -18.203 -6.322 -6.322 116 1HB PRO 15 2HB PRO 15 -18.635 -8.720 -8.720 117 2HB PRO 15 1HB PRO 15 -17.044 -7.958 -7.958 118 1HG PRO 15 2HG PRO 15 -18.176 -10.301 -10.301 119 2HG PRO 15 1HG PRO 15 -16.487 -9.907 -9.907 120 1HD PRO 15 2HD PRO 15 -17.771 -9.553 -9.553 121 2HD PRO 15 1HD PRO 15 -16.218 -8.822 -8.822 122 H ILE 16 H ILE 16 -20.084 -7.957 -7.957 123 HA ILE 16 HA ILE 16 -22.479 -8.584 -8.584 124 HB ILE 16 HB ILE 16 -23.574 -8.235 -8.235 125 1HG1 ILE 16 2HG1 ILE 16 -20.820 -7.533 -7.533 126 2HG1 ILE 16 1HG1 ILE 16 -21.944 -6.274 -6.274 127 1HG2 ILE 16 2HG2 ILE 16 -21.905 -10.212 -10.212 128 2HG2 ILE 16 1HG2 ILE 16 -21.013 -9.615 -9.615 129 3HG2 ILE 16 3HG2 ILE 16 -22.673 -10.183 -10.183 130 1HD1 ILE 16 3HD1 ILE 16 -23.562 -7.800 -7.800 131 2HD1 ILE 16 2HD1 ILE 16 -22.006 -7.997 -7.997 132 3HD1 ILE 16 1HD1 ILE 16 -22.674 -6.383 -6.383 133 H ILE 17 H ILE 17 -24.548 -7.058 -7.058 134 HA ILE 17 HA ILE 17 -23.954 -4.305 -4.305 135 HB ILE 17 HB ILE 17 -25.255 -5.674 -5.674 136 1HG1 ILE 17 2HG1 ILE 17 -27.324 -3.794 -3.794 137 2HG1 ILE 17 1HG1 ILE 17 -25.725 -3.099 -3.099 138 1HG2 ILE 17 2HG2 ILE 17 -27.124 -5.934 -5.934 139 2HG2 ILE 17 1HG2 ILE 17 -27.675 -6.170 -6.170 140 3HG2 ILE 17 3HG2 ILE 17 -26.425 -7.217 -7.217 141 1HD1 ILE 17 3HD1 ILE 17 -26.984 -4.868 -4.868 142 2HD1 ILE 17 2HD1 ILE 17 -27.408 -3.159 -3.159 143 3HD1 ILE 17 1HD1 ILE 17 -25.737 -3.640 -3.640 144 H ASN 18 H ASN 18 -23.771 -4.985 -4.985 145 HA ASN 18 HA ASN 18 -25.947 -3.267 -3.267 146 1HB ASN 18 2HB ASN 18 -25.076 -5.879 -5.879 147 2HB ASN 18 1HB ASN 18 -26.352 -4.799 -4.799 148 1HD2 ASN 18 2HD2 ASN 18 -28.780 -6.270 -6.270 149 2HD2 ASN 18 1HD2 ASN 18 -28.433 -5.267 -5.267 150 H CYS 19 H CYS 19 -24.578 -1.563 -1.563 151 HA CYS 19 HA CYS 19 -21.963 -2.027 -2.027 152 1HB CYS 19 2HB CYS 19 -23.367 0.648 0.648 153 2HB CYS 19 1HB CYS 19 -21.640 0.324 0.324 154 H ASN 20 H ASN 20 -25.100 -2.105 -2.105 155 HA ASN 20 HA ASN 20 -24.519 -0.726 -0.726 156 1HB ASN 20 2HB ASN 20 -26.818 -1.707 -1.707 157 2HB ASN 20 1HB ASN 20 -26.770 -0.472 -0.472 158 1HD2 ASN 20 2HD2 ASN 20 -27.900 -2.644 -2.644 159 2HD2 ASN 20 1HD2 ASN 20 -27.201 -1.138 -1.138 160 H THR 21 H THR 21 -25.407 -4.142 -4.142 161 HA THR 21 HA THR 21 -24.765 -5.075 -5.075 162 HB THR 21 HB THR 21 -24.810 -6.731 -6.731 163 HG1 THR 21 HG1 THR 21 -26.857 -6.010 -6.010 164 1HG2 THR 21 1HG2 THR 21 -24.901 -7.332 -7.332 165 2HG2 THR 21 3HG2 THR 21 -25.624 -8.436 -8.436 166 3HG2 THR 21 2HG2 THR 21 -23.900 -8.075 -8.075 167 H ILE 22 H ILE 22 -22.747 -4.399 -4.399 168 HA ILE 22 HA ILE 22 -20.488 -5.981 -5.981 169 HB ILE 22 HB ILE 22 -19.250 -5.070 -5.070 170 1HG1 ILE 22 2HG1 ILE 22 -20.894 -3.673 -3.673 171 2HG1 ILE 22 1HG1 ILE 22 -21.557 -3.172 -3.172 172 1HG2 ILE 22 1HG2 ILE 22 -20.854 -6.981 -6.981 173 2HG2 ILE 22 3HG2 ILE 22 -22.070 -5.820 -5.820 174 3HG2 ILE 22 2HG2 ILE 22 -20.599 -6.047 -6.047 175 1HD1 ILE 22 2HD1 ILE 22 -18.858 -2.955 -2.955 176 2HD1 ILE 22 1HD1 ILE 22 -18.974 -2.499 -2.499 177 3HD1 ILE 22 3HD1 ILE 22 -19.903 -1.620 -1.620 178 H MET 23 H MET 23 -21.547 -2.611 -2.611 179 HA MET 23 HA MET 23 -19.092 -1.615 -1.615 180 1HB MET 23 2HB MET 23 -20.584 -0.306 -0.306 181 2HB MET 23 1HB MET 23 -21.716 -0.138 -0.138 182 1HG MET 23 2HG MET 23 -19.300 0.568 0.568 183 2HG MET 23 1HG MET 23 -19.166 1.237 1.237 184 1HE MET 23 2HE MET 23 -21.028 2.691 2.691 185 2HE MET 23 1HE MET 23 -22.259 1.525 1.525 186 3HE MET 23 3HE MET 23 -22.492 3.248 3.248 187 H ASP 24 H ASP 24 -21.813 -3.273 -3.273 188 HA ASP 24 HA ASP 24 -22.476 -1.916 -1.916 189 1HB ASP 24 2HB ASP 24 -22.548 -4.821 -4.821 190 2HB ASP 24 1HB ASP 24 -23.052 -4.332 -4.332 191 H ASN 25 H ASN 25 -20.527 -1.135 -1.135 192 HA ASN 25 HA ASN 25 -19.176 -2.971 -2.971 193 1HB ASN 25 2HB ASN 25 -17.980 -3.438 -3.438 194 2HB ASN 25 1HB ASN 25 -17.537 -1.746 -1.746 195 1HD2 ASN 25 2HD2 ASN 25 -15.924 -3.720 -3.720 196 2HD2 ASN 25 1HD2 ASN 25 -17.572 -3.923 -3.923 197 H ASN 26 H ASN 26 -17.856 -1.831 -1.831 198 HA ASN 26 HA ASN 26 -18.662 0.943 0.943 199 1HB ASN 26 2HB ASN 26 -18.102 -0.787 -0.787 200 2HB ASN 26 1HB ASN 26 -16.405 -0.490 -0.490 201 1HD2 ASN 26 2HD2 ASN 26 -16.350 2.747 2.747 202 2HD2 ASN 26 1HD2 ASN 26 -15.537 1.677 1.677 203 H ILE 27 H ILE 27 -16.258 -0.439 -0.439 204 HA ILE 27 HA ILE 27 -14.317 1.758 1.758 205 HB ILE 27 HB ILE 27 -14.363 -0.477 -0.477 206 1HG1 ILE 27 2HG1 ILE 27 -12.802 -0.374 -0.374 207 2HG1 ILE 27 1HG1 ILE 27 -14.348 -1.210 -1.210 208 1HG2 ILE 27 1HG2 ILE 27 -12.374 1.611 1.611 209 2HG2 ILE 27 3HG2 ILE 27 -11.801 0.058 0.058 210 3HG2 ILE 27 2HG2 ILE 27 -12.811 1.086 1.086 211 1HD1 ILE 27 2HD1 ILE 27 -13.078 -2.226 -2.226 212 2HD1 ILE 27 1HD1 ILE 27 -11.689 -1.933 -1.933 213 3HD1 ILE 27 3HD1 ILE 27 -13.002 -2.977 -2.977 214 H TYR 28 H TYR 28 -17.264 1.801 1.801 215 HA TYR 28 HA TYR 28 -16.416 3.654 3.654 216 1HB TYR 28 2HB TYR 28 -18.350 1.336 1.336 217 2HB TYR 28 1HB TYR 28 -18.353 2.685 2.685 218 HD1 TYR 28 HD2 TYR 28 -15.865 3.396 3.396 219 HD2 TYR 28 HD1 TYR 28 -17.059 -0.511 -0.511 220 HE1 TYR 28 HE2 TYR 28 -13.944 2.400 2.400 221 HE2 TYR 28 HE1 TYR 28 -15.126 -1.506 -1.506 222 HH TYR 28 HH TYR 28 -12.588 0.430 0.430 223 H ILE 29 H ILE 29 -17.139 4.848 4.848 224 HA ILE 29 HA ILE 29 -19.824 5.978 5.978 225 HB ILE 29 HB ILE 29 -19.150 4.919 4.919 226 1HG1 ILE 29 2HG1 ILE 29 -21.096 3.834 3.834 227 2HG1 ILE 29 1HG1 ILE 29 -19.574 3.073 3.073 228 1HG2 ILE 29 3HG2 ILE 29 -21.302 6.595 6.595 229 2HG2 ILE 29 2HG2 ILE 29 -21.835 5.343 5.343 230 3HG2 ILE 29 1HG2 ILE 29 -20.679 6.560 6.560 231 1HD1 ILE 29 1HD1 ILE 29 -21.258 3.698 3.698 232 2HD1 ILE 29 3HD1 ILE 29 -22.023 2.580 2.580 233 3HD1 ILE 29 2HD1 ILE 29 -20.451 2.190 2.190 234 H VAL 30 H VAL 30 -20.036 8.102 8.102 235 HA VAL 30 HA VAL 30 -17.544 9.308 9.308 236 HB VAL 30 HB VAL 30 -18.439 9.968 9.968 237 1HG1 VAL 30 3HG1 VAL 30 -20.790 10.283 10.283 238 2HG1 VAL 30 2HG1 VAL 30 -20.295 11.668 11.668 239 3HG1 VAL 30 1HG1 VAL 30 -20.105 11.709 11.709 240 1HG2 VAL 30 2HG2 VAL 30 -16.941 11.296 11.296 241 2HG2 VAL 30 1HG2 VAL 30 -17.115 11.765 11.765 242 3HG2 VAL 30 3HG2 VAL 30 -18.145 12.501 12.501 243 H GLY 31 H GLY 31 -18.712 11.731 11.731 244 1HA GLY 31 2HA GLY 31 -20.151 10.609 10.609 245 2HA GLY 31 1HA GLY 31 -19.352 12.172 12.172 246 H GLY 32 H GLY 32 -22.132 10.478 10.478 247 1HA GLY 32 2HA GLY 32 -23.979 12.553 12.553 248 2HA GLY 32 1HA GLY 32 -23.598 12.679 12.679 249 H GLN 33 H GLN 33 -23.598 10.388 10.388 250 HA GLN 33 HA GLN 33 -25.509 8.405 8.405 251 1HB GLN 33 2HB GLN 33 -27.035 10.228 10.228 252 2HB GLN 33 1HB GLN 33 -26.288 10.154 10.154 253 1HG GLN 33 2HG GLN 33 -27.234 8.099 8.099 254 2HG GLN 33 1HG GLN 33 -27.354 7.622 7.622 255 1HE2 GLN 33 2HE2 GLN 33 -30.472 9.310 9.310 256 2HE2 GLN 33 1HE2 GLN 33 -29.086 8.724 8.724 257 H CYS 34 H CYS 34 -24.481 9.739 9.739 258 HA CYS 34 HA CYS 34 -22.464 7.801 7.801 259 1HB CYS 34 2HB CYS 34 -23.598 6.471 6.471 260 2HB CYS 34 1HB CYS 34 -24.371 6.232 6.232 261 H LYS 35 H LYS 35 -21.179 8.831 8.831 262 HA LYS 35 HA LYS 35 -21.793 11.361 11.361 263 1HB LYS 35 2HB LYS 35 -19.523 9.805 9.805 264 2HB LYS 35 1HB LYS 35 -19.844 9.797 9.797 265 1HG LYS 35 2HG LYS 35 -19.659 12.132 12.132 266 2HG LYS 35 1HG LYS 35 -19.972 12.382 12.382 267 1HD LYS 35 2HD LYS 35 -17.801 11.569 11.569 268 2HD LYS 35 1HD LYS 35 -17.494 10.988 10.988 269 1HE LYS 35 2HE LYS 35 -17.735 13.405 13.405 270 2HE LYS 35 1HE LYS 35 -17.716 13.867 13.867 271 1HZ LYS 35 1HZ LYS 35 -15.588 12.077 12.077 272 2HZ LYS 35 3HZ LYS 35 -15.525 13.655 13.655 273 3HZ LYS 35 2HZ LYS 35 -15.541 13.395 13.395 274 H ARG 36 H ARG 36 -21.422 11.621 11.621 275 HA ARG 36 HA ARG 36 -23.658 10.062 10.062 276 1HB ARG 36 2HB ARG 36 -22.519 12.817 12.817 277 2HB ARG 36 1HB ARG 36 -23.501 12.024 12.024 278 1HG ARG 36 2HG ARG 36 -25.365 11.823 11.823 279 2HG ARG 36 1HG ARG 36 -24.385 12.435 12.435 280 1HD ARG 36 2HD ARG 36 -24.933 14.013 14.013 281 2HD ARG 36 1HD ARG 36 -25.900 14.166 14.166 282 HE ARG 36 HE ARG 36 -23.189 15.204 15.204 283 1HH1 ARG 36 2HH1 ARG 36 -22.948 13.680 13.680 284 2HH1 ARG 36 1HH1 ARG 36 -23.505 14.808 14.808 285 1HH2 ARG 36 1HH2 ARG 36 -25.068 16.872 16.872 286 2HH2 ARG 36 2HH2 ARG 36 -24.705 16.614 16.614 287 H VAL 37 H VAL 37 -20.637 9.348 9.348 288 HA VAL 37 HA VAL 37 -20.442 8.326 8.326 289 HB VAL 37 HB VAL 37 -19.677 10.704 10.704 290 1HG1 VAL 37 1HG1 VAL 37 -18.688 10.966 10.966 291 2HG1 VAL 37 3HG1 VAL 37 -17.400 9.848 9.848 292 3HG1 VAL 37 2HG1 VAL 37 -17.553 11.400 11.400 293 1HG2 VAL 37 1HG2 VAL 37 -17.801 8.383 8.383 294 2HG2 VAL 37 3HG2 VAL 37 -18.784 9.246 9.246 295 3HG2 VAL 37 2HG2 VAL 37 -17.346 10.010 10.010 296 H ASN 38 H ASN 38 -19.321 6.505 6.505 297 HA ASN 38 HA ASN 38 -17.271 5.967 5.967 298 1HB ASN 38 2HB ASN 38 -19.794 4.843 4.843 299 2HB ASN 38 1HB ASN 38 -18.905 3.617 3.617 300 1HD2 ASN 38 2HD2 ASN 38 -18.336 3.816 3.816 301 2HD2 ASN 38 1HD2 ASN 38 -19.666 4.493 4.493 302 H THR 39 H THR 39 -15.596 6.079 6.079 303 HA THR 39 HA THR 39 -15.790 4.830 4.830 304 HB THR 39 HB THR 39 -13.314 6.059 6.059 305 HG1 THR 39 HG1 THR 39 -15.504 7.344 7.344 306 1HG2 THR 39 1HG2 THR 39 -13.399 4.803 4.803 307 2HG2 THR 39 3HG2 THR 39 -14.299 6.206 6.206 308 3HG2 THR 39 2HG2 THR 39 -12.656 6.402 6.402 309 H PHE 40 H PHE 40 -15.534 2.708 2.708 310 HA PHE 40 HA PHE 40 -13.566 1.267 1.267 311 1HB PHE 40 2HB PHE 40 -15.604 0.139 0.139 312 2HB PHE 40 1HB PHE 40 -14.723 -0.754 -0.754 313 HD1 PHE 40 HD1 PHE 40 -14.904 0.891 0.891 314 HD2 PHE 40 HD2 PHE 40 -17.866 0.152 0.152 315 HE1 PHE 40 HE1 PHE 40 -16.698 1.362 1.362 316 HE2 PHE 40 HE2 PHE 40 -19.660 0.627 0.627 317 HZ PHE 40 HZ PHE 40 -19.077 1.233 1.233 318 H ILE 41 H ILE 41 -12.066 -0.318 -0.318 319 HA ILE 41 HA ILE 41 -11.568 0.598 0.598 320 HB ILE 41 HB ILE 41 -9.470 0.217 0.217 321 1HG1 ILE 41 2HG1 ILE 41 -9.103 2.711 2.711 322 2HG1 ILE 41 1HG1 ILE 41 -10.748 2.598 2.598 323 1HG2 ILE 41 2HG2 ILE 41 -8.782 -0.500 -0.500 324 2HG2 ILE 41 1HG2 ILE 41 -9.130 1.142 1.142 325 3HG2 ILE 41 3HG2 ILE 41 -7.851 0.856 0.856 326 1HD1 ILE 41 2HD1 ILE 41 -10.728 1.443 1.443 327 2HD1 ILE 41 1HD1 ILE 41 -9.906 3.001 3.001 328 3HD1 ILE 41 3HD1 ILE 41 -11.550 2.907 2.907 329 H ILE 42 H ILE 42 -11.399 -1.044 -1.044 330 HA ILE 42 HA ILE 42 -11.252 -3.835 -3.835 331 HB ILE 42 HB ILE 42 -11.586 -3.151 -3.151 332 1HG1 ILE 42 2HG1 ILE 42 -13.981 -3.453 -3.453 333 2HG1 ILE 42 1HG1 ILE 42 -13.252 -1.863 -1.863 334 1HG2 ILE 42 2HG2 ILE 42 -11.327 -5.505 -5.505 335 2HG2 ILE 42 1HG2 ILE 42 -13.068 -5.297 -5.297 336 3HG2 ILE 42 3HG2 ILE 42 -12.350 -5.306 -5.306 337 1HD1 ILE 42 3HD1 ILE 42 -13.792 -3.482 -3.482 338 2HD1 ILE 42 2HD1 ILE 42 -15.156 -2.705 -2.705 339 3HD1 ILE 42 1HD1 ILE 42 -13.810 -1.731 -1.731 340 H SER 43 H SER 43 -9.184 -4.487 -4.487 341 HA SER 43 HA SER 43 -7.402 -4.960 -4.960 342 1HB SER 43 2HB SER 43 -7.143 -2.498 -2.498 343 2HB SER 43 1HB SER 43 -6.701 -2.502 -2.502 344 HG SER 43 HG SER 43 -5.258 -3.262 -3.262 345 H SER 44 H SER 44 -5.569 -6.131 -6.131 346 HA SER 44 HA SER 44 -5.724 -7.385 -7.385 347 1HB SER 44 2HB SER 44 -3.336 -8.179 -8.179 348 2HB SER 44 1HB SER 44 -4.663 -8.674 -8.674 349 HG SER 44 HG SER 44 -3.089 -7.850 -7.850 350 H ALA 45 H ALA 45 -4.921 -6.691 -6.691 351 HA ALA 45 HA ALA 45 -4.080 -4.105 -4.105 352 1HB ALA 45 1HB ALA 45 -3.577 -6.716 -6.716 353 2HB ALA 45 3HB ALA 45 -2.958 -5.200 -5.200 354 3HB ALA 45 2HB ALA 45 -4.693 -5.421 -5.421 355 H THR 46 H THR 46 -2.050 -6.785 -6.785 356 HA THR 46 HA THR 46 0.435 -5.396 -5.396 357 HB THR 46 HB THR 46 0.390 -7.800 -7.800 358 HG1 THR 46 HG1 THR 46 2.310 -6.733 -6.733 359 1HG2 THR 46 2HG2 THR 46 -0.729 -7.475 -7.475 360 2HG2 THR 46 1HG2 THR 46 0.399 -8.808 -8.808 361 3HG2 THR 46 3HG2 THR 46 -1.058 -8.715 -8.715 362 H THR 47 H THR 47 -1.553 -5.715 -5.715 363 HA THR 47 HA THR 47 0.400 -4.669 -4.669 364 HB THR 47 HB THR 47 -1.745 -3.825 -3.825 365 HG1 THR 47 HG1 THR 47 -3.623 -4.757 -4.757 366 1HG2 THR 47 1HG2 THR 47 -0.972 -6.675 -6.675 367 2HG2 THR 47 3HG2 THR 47 -2.338 -6.318 -6.318 368 3HG2 THR 47 2HG2 THR 47 -0.729 -5.724 -5.724 369 H VAL 48 H VAL 48 -1.989 -3.220 -3.220 370 HA VAL 48 HA VAL 48 -1.485 -0.469 -0.469 371 HB VAL 48 HB VAL 48 -2.554 -1.535 -1.535 372 1HG1 VAL 48 1HG1 VAL 48 -1.811 1.000 1.000 373 2HG1 VAL 48 3HG1 VAL 48 -3.458 1.027 1.027 374 3HG1 VAL 48 2HG1 VAL 48 -3.167 0.617 0.617 375 1HG2 VAL 48 2HG2 VAL 48 -3.769 -1.268 -1.268 376 2HG2 VAL 48 1HG2 VAL 48 -4.140 -2.413 -2.413 377 3HG2 VAL 48 3HG2 VAL 48 -4.757 -0.763 -0.763 378 H LYS 49 H LYS 49 -0.182 -2.743 -2.743 379 HA LYS 49 HA LYS 49 1.437 -0.939 -0.939 380 1HB LYS 49 2HB LYS 49 0.941 -3.274 -3.274 381 2HB LYS 49 1HB LYS 49 1.946 -3.872 -3.872 382 1HG LYS 49 2HG LYS 49 3.251 -1.862 -1.862 383 2HG LYS 49 1HG LYS 49 2.870 -3.390 -3.390 384 1HD LYS 49 2HD LYS 49 4.124 -4.644 -4.644 385 2HD LYS 49 1HD LYS 49 4.307 -3.231 -3.231 386 1HE LYS 49 2HE LYS 49 6.334 -3.068 -3.068 387 2HE LYS 49 1HE LYS 49 5.384 -2.259 -2.259 388 1HZ LYS 49 1HZ LYS 49 5.074 -4.853 -4.853 389 2HZ LYS 49 3HZ LYS 49 6.656 -4.852 -4.852 390 3HZ LYS 49 2HZ LYS 49 6.243 -3.824 -3.824 391 H ALA 50 H ALA 50 1.779 -2.274 -2.274 392 HA ALA 50 HA ALA 50 4.658 -1.804 -1.804 393 1HB ALA 50 3HB ALA 50 2.596 -3.076 -3.076 394 2HB ALA 50 2HB ALA 50 3.633 -2.041 -2.041 395 3HB ALA 50 1HB ALA 50 4.340 -3.328 -3.328 396 H ILE 51 H ILE 51 1.678 -0.106 -0.106 397 HA ILE 51 HA ILE 51 3.013 1.927 1.927 398 HB ILE 51 HB ILE 51 0.572 1.453 1.453 399 1HG1 ILE 51 2HG1 ILE 51 -0.130 3.903 3.903 400 2HG1 ILE 51 1HG1 ILE 51 1.470 4.255 4.255 401 1HG2 ILE 51 2HG2 ILE 51 0.695 2.171 2.171 402 2HG2 ILE 51 1HG2 ILE 51 -0.593 2.992 2.992 403 3HG2 ILE 51 3HG2 ILE 51 -0.511 1.231 1.231 404 1HD1 ILE 51 1HD1 ILE 51 1.177 2.614 2.614 405 2HD1 ILE 51 3HD1 ILE 51 1.119 4.375 4.375 406 3HD1 ILE 51 2HD1 ILE 51 2.559 3.565 3.565 407 H CYS 52 H CYS 52 2.642 1.466 1.466 408 HA CYS 52 HA CYS 52 3.516 4.256 4.256 409 1HB CYS 52 2HB CYS 52 1.607 2.651 2.651 410 2HB CYS 52 1HB CYS 52 2.984 2.571 2.571 411 H THR 53 H THR 53 5.258 2.027 2.027 412 HA THR 53 HA THR 53 7.085 1.449 1.449 413 HB THR 53 HB THR 53 7.487 0.828 0.828 414 HG1 THR 53 HG1 THR 53 6.556 -1.147 -1.147 415 1HG2 THR 53 3HG2 THR 53 8.824 0.073 0.073 416 2HG2 THR 53 2HG2 THR 53 8.778 -1.110 -1.110 417 3HG2 THR 53 1HG2 THR 53 9.543 0.458 0.458 418 H GLY 54 H GLY 54 8.406 3.114 3.114 419 1HA GLY 54 2HA GLY 54 10.174 4.348 4.348 420 2HA GLY 54 1HA GLY 54 9.004 5.476 5.476 421 H VAL 55 H VAL 55 8.888 5.111 5.111 422 HA VAL 55 HA VAL 55 11.415 4.464 4.464 423 HB VAL 55 HB VAL 55 11.705 6.731 6.731 424 1HG1 VAL 55 3HG1 VAL 55 9.412 7.495 7.495 425 2HG1 VAL 55 2HG1 VAL 55 10.495 8.016 8.016 426 3HG1 VAL 55 1HG1 VAL 55 10.705 8.644 8.644 427 1HG2 VAL 55 3HG2 VAL 55 12.847 5.671 5.671 428 2HG2 VAL 55 2HG2 VAL 55 13.435 7.084 7.084 429 3HG2 VAL 55 1HG2 VAL 55 12.384 7.290 7.290 430 H ILE 56 H ILE 56 11.107 5.822 5.822 431 HA ILE 56 HA ILE 56 8.648 4.568 4.568 432 HB ILE 56 HB ILE 56 9.594 5.197 5.197 433 1HG1 ILE 56 2HG1 ILE 56 12.053 6.119 6.119 434 2HG1 ILE 56 1HG1 ILE 56 10.766 7.259 7.259 435 1HG2 ILE 56 2HG2 ILE 56 11.068 3.613 3.613 436 2HG2 ILE 56 1HG2 ILE 56 11.898 3.930 3.930 437 3HG2 ILE 56 3HG2 ILE 56 10.348 3.089 3.089 438 1HD1 ILE 56 3HD1 ILE 56 10.935 6.651 6.651 439 2HD1 ILE 56 2HD1 ILE 56 12.229 5.515 5.515 440 3HD1 ILE 56 1HD1 ILE 56 12.479 7.246 7.246 441 H ASN 57 H ASN 57 8.547 7.098 7.098 442 HA ASN 57 HA ASN 57 6.376 8.475 8.475 443 1HB ASN 57 2HB ASN 57 8.432 9.162 9.162 444 2HB ASN 57 1HB ASN 57 8.847 10.184 10.184 445 1HD2 ASN 57 2HD2 ASN 57 6.383 12.584 12.584 446 2HD2 ASN 57 1HD2 ASN 57 7.740 12.158 12.158 447 H MET 58 H MET 58 5.474 8.987 8.987 448 HA MET 58 HA MET 58 6.950 10.712 10.712 449 1HB MET 58 2HB MET 58 7.504 8.123 8.123 450 2HB MET 58 1HB MET 58 5.977 8.160 8.160 451 1HG MET 58 2HG MET 58 6.786 9.604 9.604 452 2HG MET 58 1HG MET 58 8.000 10.298 10.298 453 1HE MET 58 2HE MET 58 8.302 9.846 9.846 454 2HE MET 58 1HE MET 58 10.031 9.651 9.651 455 3HE MET 58 3HE MET 58 9.136 8.432 8.432 456 H ASN 59 H ASN 59 5.629 10.988 10.988 457 HA ASN 59 HA ASN 59 2.681 10.798 10.798 458 1HB ASN 59 2HB ASN 59 3.471 13.116 13.116 459 2HB ASN 59 1HB ASN 59 4.191 13.206 13.206 460 1HD2 ASN 59 2HD2 ASN 59 1.095 13.757 13.757 461 2HD2 ASN 59 1HD2 ASN 59 2.742 13.393 13.393 462 H VAL 60 H VAL 60 2.101 9.370 9.370 463 HA VAL 60 HA VAL 60 3.421 9.722 9.722 464 HB VAL 60 HB VAL 60 2.298 7.129 7.129 465 1HG1 VAL 60 2HG1 VAL 60 3.802 7.975 7.975 466 2HG1 VAL 60 1HG1 VAL 60 4.162 6.388 6.388 467 3HG1 VAL 60 3HG1 VAL 60 2.519 6.775 6.775 468 1HG2 VAL 60 3HG2 VAL 60 5.074 8.311 8.311 469 2HG2 VAL 60 2HG2 VAL 60 4.084 7.631 7.631 470 3HG2 VAL 60 1HG2 VAL 60 4.800 6.571 6.571 471 H LEU 61 H LEU 61 1.996 8.838 8.838 472 HA LEU 61 HA LEU 61 -0.904 9.301 9.301 473 1HB LEU 61 2HB LEU 61 0.685 10.344 10.344 474 2HB LEU 61 1HB LEU 61 -1.063 10.471 10.471 475 HG LEU 61 HG LEU 61 -0.327 11.528 11.528 476 1HD1 LEU 61 2HD1 LEU 61 2.005 11.817 11.817 477 2HD1 LEU 61 1HD1 LEU 61 1.635 13.117 13.117 478 3HD1 LEU 61 3HD1 LEU 61 2.008 11.504 11.504 479 1HD2 LEU 61 2HD2 LEU 61 -1.767 12.570 12.570 480 2HD2 LEU 61 1HD2 LEU 61 -0.622 13.734 13.734 481 3HD2 LEU 61 3HD2 LEU 61 -0.325 13.012 13.012 482 H SER 62 H SER 62 -1.897 7.363 7.363 483 HA SER 62 HA SER 62 -0.898 5.267 5.267 484 1HB SER 62 2HB SER 62 -3.846 5.578 5.578 485 2HB SER 62 1HB SER 62 -2.846 4.141 4.141 486 HG SER 62 HG SER 62 -3.311 6.151 6.151 487 H THR 63 H THR 63 -0.320 6.182 6.182 488 HA THR 63 HA THR 63 -2.239 7.777 7.777 489 HB THR 63 HB THR 63 -0.368 7.455 7.455 490 HG1 THR 63 HG1 THR 63 1.412 6.518 6.518 491 1HG2 THR 63 3HG2 THR 63 -0.572 9.139 9.139 492 2HG2 THR 63 2HG2 THR 63 1.098 8.947 8.947 493 3HG2 THR 63 1HG2 THR 63 -0.118 9.573 9.573 494 H THR 64 H THR 64 -0.868 4.492 4.492 495 HA THR 64 HA THR 64 -1.981 3.732 3.732 496 HB THR 64 HB THR 64 -0.469 2.165 2.165 497 HG1 THR 64 HG1 THR 64 -1.630 0.501 0.501 498 1HG2 THR 64 1HG2 THR 64 -1.848 2.669 2.669 499 2HG2 THR 64 3HG2 THR 64 -1.167 1.057 1.057 500 3HG2 THR 64 2HG2 THR 64 -0.128 2.478 2.478 501 H ARG 65 H ARG 65 -3.521 1.884 1.884 502 HA ARG 65 HA ARG 65 -6.015 3.220 3.220 503 1HB ARG 65 2HB ARG 65 -7.377 1.807 1.807 504 2HB ARG 65 1HB ARG 65 -6.229 2.828 2.828 505 1HG ARG 65 2HG ARG 65 -4.659 0.702 0.702 506 2HG ARG 65 1HG ARG 65 -6.206 -0.136 -0.136 507 1HD ARG 65 2HD ARG 65 -5.976 -0.157 -0.157 508 2HD ARG 65 1HD ARG 65 -6.759 1.414 1.414 509 HE ARG 65 HE ARG 65 -4.215 2.206 2.206 510 1HH1 ARG 65 2HH1 ARG 65 -2.424 0.647 0.647 511 2HH1 ARG 65 1HH1 ARG 65 -2.709 0.435 0.435 512 1HH2 ARG 65 1HH2 ARG 65 -5.988 1.552 1.552 513 2HH2 ARG 65 2HH2 ARG 65 -4.726 0.947 0.947 514 H PHE 66 H PHE 66 -6.091 2.452 2.452 515 HA PHE 66 HA PHE 66 -5.880 -0.495 -0.495 516 1HB PHE 66 2HB PHE 66 -5.885 1.909 1.909 517 2HB PHE 66 1HB PHE 66 -5.998 0.256 0.256 518 HD1 PHE 66 HD2 PHE 66 -3.826 2.690 2.690 519 HD2 PHE 66 HD1 PHE 66 -4.105 -1.275 -1.275 520 HE1 PHE 66 HE2 PHE 66 -1.377 2.414 2.414 521 HE2 PHE 66 HE1 PHE 66 -1.653 -1.536 -1.536 522 HZ PHE 66 HZ PHE 66 -0.289 0.306 0.306 523 H GLN 67 H GLN 67 -8.151 0.255 0.255 524 HA GLN 67 HA GLN 67 -10.544 0.600 0.600 525 1HB GLN 67 2HB GLN 67 -9.836 -2.150 -2.150 526 2HB GLN 67 1HB GLN 67 -11.450 -1.690 -1.690 527 1HG GLN 67 2HG GLN 67 -10.831 -2.139 -2.139 528 2HG GLN 67 1HG GLN 67 -9.672 -0.814 -0.814 529 1HE2 GLN 67 2HE2 GLN 67 -8.348 -4.671 -4.671 530 2HE2 GLN 67 1HE2 GLN 67 -10.002 -4.327 -4.327 531 H LEU 68 H LEU 68 -11.581 1.984 1.984 532 HA LEU 68 HA LEU 68 -11.719 1.164 1.164 533 1HB LEU 68 2HB LEU 68 -12.804 3.511 3.511 534 2HB LEU 68 1HB LEU 68 -11.073 3.397 3.397 535 HG LEU 68 HG LEU 68 -11.330 3.987 3.987 536 1HD1 LEU 68 2HD1 LEU 68 -14.260 3.584 3.584 537 2HD1 LEU 68 1HD1 LEU 68 -13.746 4.650 4.650 538 3HD1 LEU 68 3HD1 LEU 68 -13.303 2.944 2.944 539 1HD2 LEU 68 2HD2 LEU 68 -11.420 5.799 5.799 540 2HD2 LEU 68 1HD2 LEU 68 -12.213 6.240 6.240 541 3HD2 LEU 68 3HD2 LEU 68 -13.177 5.753 5.753 542 H ASN 69 H ASN 69 -13.682 1.169 1.169 543 HA ASN 69 HA ASN 69 -16.178 0.808 0.808 544 1HB ASN 69 2HB ASN 69 -15.120 -1.249 -1.249 545 2HB ASN 69 1HB ASN 69 -15.864 -0.461 -0.461 546 1HD2 ASN 69 2HD2 ASN 69 -19.118 -1.482 -1.482 547 2HD2 ASN 69 1HD2 ASN 69 -18.103 -0.747 -0.747 548 H THR 70 H THR 70 -17.123 2.840 2.840 549 HA THR 70 HA THR 70 -17.016 3.986 3.986 550 HB THR 70 HB THR 70 -18.065 5.339 5.339 551 HG1 THR 70 HG1 THR 70 -15.983 6.131 6.131 552 1HG2 THR 70 1HG2 THR 70 -18.626 6.347 6.347 553 2HG2 THR 70 3HG2 THR 70 -16.909 6.403 6.403 554 3HG2 THR 70 2HG2 THR 70 -17.538 7.372 7.372 555 H CYS 71 H CYS 71 -18.682 3.872 3.872 556 HA CYS 71 HA CYS 71 -21.436 3.420 3.420 557 1HB CYS 71 2HB CYS 71 -20.291 2.767 2.767 558 2HB CYS 71 1HB CYS 71 -22.000 2.660 2.660 559 H THR 72 H THR 72 -22.316 5.469 5.469 560 HA THR 72 HA THR 72 -21.588 7.419 7.419 561 HB THR 72 HB THR 72 -22.675 8.164 8.164 562 HG1 THR 72 HG1 THR 72 -20.844 7.532 7.532 563 1HG2 THR 72 1HG2 THR 72 -21.107 9.586 9.586 564 2HG2 THR 72 3HG2 THR 72 -21.330 10.246 10.246 565 3HG2 THR 72 2HG2 THR 72 -22.728 9.968 9.968 566 H ARG 73 H ARG 73 -23.170 8.533 8.533 567 HA ARG 73 HA ARG 73 -25.778 7.462 7.462 568 1HB ARG 73 2HB ARG 73 -24.577 8.906 8.906 569 2HB ARG 73 1HB ARG 73 -24.906 10.293 10.293 570 1HG ARG 73 2HG ARG 73 -27.172 8.511 8.511 571 2HG ARG 73 1HG ARG 73 -26.555 9.720 9.720 572 1HD ARG 73 2HD ARG 73 -26.770 11.163 11.163 573 2HD ARG 73 1HD ARG 73 -28.159 10.081 10.081 574 HE ARG 73 HE ARG 73 -27.671 12.040 12.040 575 1HH1 ARG 73 2HH1 ARG 73 -29.271 10.249 10.249 576 2HH1 ARG 73 1HH1 ARG 73 -30.893 10.508 10.508 577 1HH2 ARG 73 1HH2 ARG 73 -29.927 12.200 12.200 578 2HH2 ARG 73 2HH2 ARG 73 -31.265 11.614 11.614 579 H THR 74 H THR 74 -27.255 7.433 7.433 580 HA THR 74 HA THR 74 -27.772 9.997 9.997 581 HB THR 74 HB THR 74 -28.162 8.521 8.521 582 HG1 THR 74 HG1 THR 74 -26.492 6.824 6.824 583 1HG2 THR 74 2HG2 THR 74 -25.412 8.988 8.988 584 2HG2 THR 74 1HG2 THR 74 -25.697 8.543 8.543 585 3HG2 THR 74 3HG2 THR 74 -26.313 10.074 10.074 586 H SER 75 H SER 75 -29.374 6.961 6.961 587 HA SER 75 HA SER 75 -31.708 7.469 7.469 588 1HB SER 75 2HB SER 75 -33.244 7.683 7.683 589 2HB SER 75 1HB SER 75 -32.172 9.063 9.063 590 HG SER 75 HG SER 75 -32.240 8.292 8.292 591 H ILE 76 H ILE 76 -31.831 5.374 5.374 592 HA ILE 76 HA ILE 76 -32.295 3.258 3.258 593 HB ILE 76 HB ILE 76 -30.705 2.638 2.638 594 1HG1 ILE 76 2HG1 ILE 76 -29.468 4.438 4.438 595 2HG1 ILE 76 1HG1 ILE 76 -28.623 2.899 2.899 596 1HG2 ILE 76 3HG2 ILE 76 -31.088 1.371 1.371 597 2HG2 ILE 76 2HG2 ILE 76 -29.832 0.846 0.846 598 3HG2 ILE 76 1HG2 ILE 76 -31.528 0.701 0.701 599 1HD1 ILE 76 1HD1 ILE 76 -30.499 3.212 3.212 600 2HD1 ILE 76 3HD1 ILE 76 -29.360 4.557 4.557 601 3HD1 ILE 76 2HD1 ILE 76 -28.764 2.902 2.902 602 H THR 77 H THR 77 -33.376 1.313 1.313 603 HA THR 77 HA THR 77 -35.756 1.976 1.976 604 HB THR 77 HB THR 77 -34.570 -0.725 -0.725 605 HG1 THR 77 HG1 THR 77 -34.597 -1.229 -1.229 606 1HG2 THR 77 2HG2 THR 77 -36.918 0.029 0.029 607 2HG2 THR 77 1HG2 THR 77 -37.279 0.063 0.063 608 3HG2 THR 77 3HG2 THR 77 -36.811 -1.451 -1.451 609 HA PRO 78 HA PRO 78 -33.976 0.820 0.820 610 1HB PRO 78 2HB PRO 78 -31.254 0.587 0.587 611 2HB PRO 78 1HB PRO 78 -32.325 -0.773 -0.773 612 1HG PRO 78 2HG PRO 78 -30.439 0.680 0.680 613 2HG PRO 78 1HG PRO 78 -31.056 -0.976 -0.976 614 1HD PRO 78 2HD PRO 78 -31.954 1.263 1.263 615 2HD PRO 78 1HD PRO 78 -32.736 -0.322 -0.322 616 H ARG 79 H ARG 79 -34.094 2.574 2.574 617 HA ARG 79 HA ARG 79 -32.069 4.728 4.728 618 1HB ARG 79 2HB ARG 79 -33.898 6.461 6.461 619 2HB ARG 79 1HB ARG 79 -33.834 5.535 5.535 620 1HG ARG 79 2HG ARG 79 -36.044 5.176 5.176 621 2HG ARG 79 1HG ARG 79 -35.528 4.007 4.007 622 1HD ARG 79 2HD ARG 79 -35.417 6.124 6.124 623 2HD ARG 79 1HD ARG 79 -36.514 6.819 6.819 624 HE ARG 79 HE ARG 79 -37.106 4.390 4.390 625 1HH1 ARG 79 1HH2 ARG 79 -38.256 5.499 5.499 626 2HH1 ARG 79 2HH2 ARG 79 -39.843 5.921 5.921 627 1HH2 ARG 79 2HH1 ARG 79 -39.037 5.611 5.611 628 2HH2 ARG 79 1HH1 ARG 79 -40.285 5.984 5.984 629 HA PRO 80 HA PRO 80 -32.326 6.979 6.979 630 1HB PRO 80 2HB PRO 80 -30.704 7.974 7.974 631 2HB PRO 80 1HB PRO 80 -32.432 8.342 8.342 632 1HG PRO 80 2HG PRO 80 -31.036 6.524 6.524 633 2HG PRO 80 1HG PRO 80 -32.550 7.422 7.422 634 1HD PRO 80 2HD PRO 80 -32.339 4.672 4.672 635 2HD PRO 80 1HD PRO 80 -33.807 5.656 5.656 636 H CYS 81 H CYS 81 -29.866 7.794 7.794 637 HA CYS 81 HA CYS 81 -27.698 7.326 7.326 638 1HB CYS 81 2HB CYS 81 -28.045 6.101 6.101 639 2HB CYS 81 1HB CYS 81 -27.417 4.797 4.797 640 HA PRO 82 HA PRO 82 -29.290 3.847 3.847 641 1HB PRO 82 2HB PRO 82 -30.120 5.385 5.385 642 2HB PRO 82 1HB PRO 82 -31.201 4.890 4.890 643 1HG PRO 82 2HG PRO 82 -29.983 7.565 7.565 644 2HG PRO 82 1HG PRO 82 -31.497 7.163 7.163 645 1HD PRO 82 2HD PRO 82 -29.075 7.874 7.874 646 2HD PRO 82 1HD PRO 82 -30.482 7.120 7.120 647 H TYR 83 H TYR 83 -27.567 3.021 3.021 648 HA TYR 83 HA TYR 83 -25.702 5.023 5.023 649 1HB TYR 83 2HB TYR 83 -25.089 2.545 2.545 650 2HB TYR 83 1HB TYR 83 -23.985 3.040 3.040 651 HD1 TYR 83 HD2 TYR 83 -26.004 4.789 4.789 652 HD2 TYR 83 HD1 TYR 83 -22.212 4.297 4.297 653 HE1 TYR 83 HE2 TYR 83 -25.046 6.560 6.560 654 HE2 TYR 83 HE1 TYR 83 -21.249 6.068 6.068 655 HH TYR 83 HH TYR 83 -21.596 7.315 7.315 656 H SER 84 H SER 84 -25.103 4.783 4.783 657 HA SER 84 HA SER 84 -26.138 2.407 2.407 658 1HB SER 84 2HB SER 84 -25.992 3.911 3.911 659 2HB SER 84 1HB SER 84 -27.066 4.573 4.573 660 HG SER 84 HG SER 84 -25.260 5.915 5.915 661 H SER 85 H SER 85 -24.588 1.083 1.083 662 HA SER 85 HA SER 85 -21.746 1.801 1.801 663 1HB SER 85 2HB SER 85 -21.307 -0.566 -0.566 664 2HB SER 85 1HB SER 85 -22.605 -0.419 -0.419 665 HG SER 85 HG SER 85 -23.088 -1.910 -1.910 666 H ARG 86 H ARG 86 -20.210 1.890 1.890 667 HA ARG 86 HA ARG 86 -20.921 1.401 1.401 668 1HB ARG 86 2HB ARG 86 -21.492 3.848 3.848 669 2HB ARG 86 1HB ARG 86 -19.749 4.082 4.082 670 1HG ARG 86 2HG ARG 86 -19.354 3.714 3.714 671 2HG ARG 86 1HG ARG 86 -20.818 2.751 2.751 672 1HD ARG 86 2HD ARG 86 -21.608 4.669 4.669 673 2HD ARG 86 1HD ARG 86 -21.919 5.121 5.121 674 HE ARG 86 HE ARG 86 -19.246 5.839 5.839 675 1HH1 ARG 86 1HH2 ARG 86 -19.892 7.601 7.601 676 2HH1 ARG 86 2HH2 ARG 86 -20.758 8.911 8.911 677 1HH2 ARG 86 2HH1 ARG 86 -21.516 7.153 7.153 678 2HH2 ARG 86 1HH1 ARG 86 -21.675 8.657 8.657 679 H THR 87 H THR 87 -18.959 1.338 1.338 680 HA THR 87 HA THR 87 -16.408 1.113 1.113 681 HB THR 87 HB THR 87 -16.937 -0.661 -0.661 682 HG1 THR 87 HG1 THR 87 -18.477 -1.572 -1.572 683 1HG2 THR 87 3HG2 THR 87 -15.133 -0.593 -0.593 684 2HG2 THR 87 2HG2 THR 87 -15.512 -2.147 -2.147 685 3HG2 THR 87 1HG2 THR 87 -14.734 -0.883 -0.883 686 H GLU 88 H GLU 88 -14.474 1.589 1.589 687 HA GLU 88 HA GLU 88 -14.507 2.378 2.378 688 1HB GLU 88 2HB GLU 88 -15.694 4.280 4.280 689 2HB GLU 88 1HB GLU 88 -14.014 4.807 4.807 690 1HG GLU 88 2HG GLU 88 -13.943 5.377 5.377 691 2HG GLU 88 1HG GLU 88 -14.971 4.027 4.027 692 H THR 89 H THR 89 -12.420 3.846 3.846 693 HA THR 89 HA THR 89 -10.121 2.360 2.360 694 HB THR 89 HB THR 89 -10.243 5.210 5.210 695 HG1 THR 89 HG1 THR 89 -10.461 4.317 4.317 696 1HG2 THR 89 3HG2 THR 89 -8.062 3.780 3.780 697 2HG2 THR 89 2HG2 THR 89 -8.003 3.485 3.485 698 3HG2 THR 89 1HG2 THR 89 -7.990 5.137 5.137 699 H ASN 90 H ASN 90 -8.591 2.804 2.804 700 HA ASN 90 HA ASN 90 -9.540 4.860 4.860 701 1HB ASN 90 2HB ASN 90 -9.373 2.388 2.388 702 2HB ASN 90 1HB ASN 90 -7.633 2.658 2.658 703 1HD2 ASN 90 2HD2 ASN 90 -8.076 3.706 3.706 704 2HD2 ASN 90 1HD2 ASN 90 -7.430 2.522 2.522 705 H TYR 91 H TYR 91 -8.508 6.606 6.606 706 HA TYR 91 HA TYR 91 -5.530 6.669 6.669 707 1HB TYR 91 2HB TYR 91 -5.899 9.017 9.017 708 2HB TYR 91 1HB TYR 91 -6.056 7.597 7.597 709 HD1 TYR 91 HD1 TYR 91 -8.280 6.784 6.784 710 HD2 TYR 91 HD2 TYR 91 -7.814 10.387 10.387 711 HE1 TYR 91 HE1 TYR 91 -10.591 7.452 7.452 712 HE2 TYR 91 HE2 TYR 91 -10.128 11.058 11.058 713 HH TYR 91 HH TYR 91 -12.188 10.105 10.105 714 H ILE 92 H ILE 92 -5.101 7.086 7.086 715 HA ILE 92 HA ILE 92 -6.556 9.351 9.351 716 HB ILE 92 HB ILE 92 -6.470 7.926 7.926 717 1HG1 ILE 92 2HG1 ILE 92 -6.921 5.422 5.422 718 2HG1 ILE 92 1HG1 ILE 92 -5.399 6.024 6.024 719 1HG2 ILE 92 2HG2 ILE 92 -8.506 8.566 8.566 720 2HG2 ILE 92 1HG2 ILE 92 -8.322 7.102 7.102 721 3HG2 ILE 92 3HG2 ILE 92 -8.650 6.984 6.984 722 1HD1 ILE 92 2HD1 ILE 92 -6.055 5.901 5.901 723 2HD1 ILE 92 1HD1 ILE 92 -5.137 4.670 4.670 724 3HD1 ILE 92 3HD1 ILE 92 -4.501 6.305 6.305 725 H CYS 93 H CYS 93 -5.497 9.618 9.618 726 HA CYS 93 HA CYS 93 -2.527 9.902 9.902 727 1HB CYS 93 2HB CYS 93 -3.958 12.023 12.023 728 2HB CYS 93 1HB CYS 93 -4.311 11.623 11.623 729 H VAL 94 H VAL 94 -1.409 8.625 8.625 730 HA VAL 94 HA VAL 94 -2.686 7.849 7.849 731 HB VAL 94 HB VAL 94 -2.312 6.022 6.022 732 1HG1 VAL 94 2HG1 VAL 94 0.586 6.483 6.483 733 2HG1 VAL 94 1HG1 VAL 94 -0.022 5.137 5.137 734 3HG1 VAL 94 3HG1 VAL 94 -0.119 6.783 6.783 735 1HG2 VAL 94 2HG2 VAL 94 -2.337 5.923 5.923 736 2HG2 VAL 94 1HG2 VAL 94 -2.008 4.484 4.484 737 3HG2 VAL 94 3HG2 VAL 94 -0.673 5.384 5.384 738 H LYS 95 H LYS 95 -1.019 7.273 7.273 739 HA LYS 95 HA LYS 95 1.433 8.913 8.913 740 1HB LYS 95 2HB LYS 95 -0.617 8.942 8.942 741 2HB LYS 95 1HB LYS 95 1.062 9.351 9.351 742 1HG LYS 95 2HG LYS 95 0.763 10.874 10.874 743 2HG LYS 95 1HG LYS 95 -0.928 10.820 10.820 744 1HD LYS 95 2HD LYS 95 -0.107 11.459 11.459 745 2HD LYS 95 1HD LYS 95 1.443 11.826 11.826 746 1HE LYS 95 2HE LYS 95 0.471 13.513 13.513 747 2HE LYS 95 1HE LYS 95 -1.166 13.002 13.002 748 1HZ LYS 95 3HZ LYS 95 0.675 13.877 13.877 749 2HZ LYS 95 2HZ LYS 95 -0.135 15.036 15.036 750 3HZ LYS 95 1HZ LYS 95 -1.020 13.911 13.911 751 H CYS 96 H CYS 96 3.307 7.884 7.884 752 HA CYS 96 HA CYS 96 2.873 5.109 5.109 753 1HB CYS 96 2HB CYS 96 5.486 6.038 6.038 754 2HB CYS 96 1HB CYS 96 4.786 4.424 4.424 755 H GLU 97 H GLU 97 3.369 4.660 4.660 756 HA GLU 97 HA GLU 97 5.751 5.884 5.884 757 1HB GLU 97 2HB GLU 97 3.887 7.024 7.024 758 2HB GLU 97 1HB GLU 97 3.017 5.507 5.507 759 1HG GLU 97 2HG GLU 97 4.690 4.718 4.718 760 2HG GLU 97 1HG GLU 97 5.730 6.100 6.100 761 H ASN 98 H ASN 98 6.917 4.196 4.196 762 HA ASN 98 HA ASN 98 7.595 1.916 1.916 763 1HB ASN 98 2HB ASN 98 4.592 1.628 1.628 764 2HB ASN 98 1HB ASN 98 5.763 0.350 0.350 765 1HD2 ASN 98 2HD2 ASN 98 7.239 2.234 2.234 766 2HD2 ASN 98 1HD2 ASN 98 7.740 1.338 1.338 767 H GLN 99 H GLN 99 6.899 3.048 3.048 768 HA GLN 99 HA GLN 99 6.577 2.618 2.618 769 1HB GLN 99 2HB GLN 99 7.667 0.655 0.655 770 2HB GLN 99 1HB GLN 99 8.632 1.331 1.331 771 1HG GLN 99 2HG GLN 99 6.682 -0.780 -0.780 772 2HG GLN 99 1HG GLN 99 8.061 -1.296 -1.296 773 1HE2 GLN 99 2HE2 GLN 99 8.814 -1.080 -1.080 774 2HE2 GLN 99 1HE2 GLN 99 7.397 -1.611 -1.611 775 H TYR 100 H TYR 100 4.316 1.543 1.543 776 HA TYR 100 HA TYR 100 2.842 0.219 0.219 777 1HB TYR 100 2HB TYR 100 2.028 -1.379 -1.379 778 2HB TYR 100 1HB TYR 100 3.196 -0.832 -0.832 779 HD1 TYR 100 HD2 TYR 100 -0.279 0.080 0.080 780 HD2 TYR 100 HD1 TYR 100 2.383 -0.244 -0.244 781 HE1 TYR 100 HE2 TYR 100 -2.113 0.780 0.780 782 HE2 TYR 100 HE1 TYR 100 0.543 0.447 0.447 783 HH TYR 100 HH TYR 100 -2.363 1.786 1.786 784 HA PRO 101 HA PRO 101 0.571 4.009 4.009 785 1HB PRO 101 2HB PRO 101 -1.958 3.098 3.098 786 2HB PRO 101 1HB PRO 101 -0.640 3.351 3.351 787 1HG PRO 101 2HG PRO 101 -1.602 0.780 0.780 788 2HG PRO 101 1HG PRO 101 -1.004 1.077 1.077 789 1HD PRO 101 2HD PRO 101 0.555 -0.090 -0.090 790 2HD PRO 101 1HD PRO 101 1.233 0.926 0.926 791 H VAL 102 H VAL 102 0.807 4.331 4.331 792 HA VAL 102 HA VAL 102 -1.077 3.120 3.120 793 HB VAL 102 HB VAL 102 1.125 5.191 5.191 794 1HG1 VAL 102 2HG1 VAL 102 -0.647 3.934 3.934 795 2HG1 VAL 102 1HG1 VAL 102 0.847 4.803 4.803 796 3HG1 VAL 102 3HG1 VAL 102 -0.510 5.647 5.647 797 1HG2 VAL 102 1HG2 VAL 102 1.325 2.481 2.481 798 2HG2 VAL 102 3HG2 VAL 102 2.507 3.465 3.465 799 3HG2 VAL 102 2HG2 VAL 102 1.262 2.599 2.599 800 H HIS 103 H HIS 103 -0.792 6.075 6.075 801 HA HIS 103 HA HIS 103 -3.253 7.076 7.076 802 1HB HIS 103 2HB HIS 103 -1.756 9.341 9.341 803 2HB HIS 103 1HB HIS 103 -2.141 8.922 8.922 804 HD1 HIS 103 HD1 HIS 103 -0.049 8.871 8.871 805 HD2 HIS 103 HD2 HIS 103 0.673 7.491 7.491 806 HE1 HIS 103 HE1 HIS 103 2.396 8.157 8.157 807 H PHE 104 H PHE 104 -4.742 8.072 8.072 808 HA PHE 104 HA PHE 104 -3.861 7.867 7.867 809 1HB PHE 104 2HB PHE 104 -6.024 6.468 6.468 810 2HB PHE 104 1HB PHE 104 -6.717 7.630 7.630 811 HD1 PHE 104 HD2 PHE 104 -5.050 7.919 7.919 812 HD2 PHE 104 HD1 PHE 104 -5.604 4.359 4.359 813 HE1 PHE 104 HE2 PHE 104 -4.201 6.579 6.579 814 HE2 PHE 104 HE1 PHE 104 -4.750 3.002 3.002 815 HZ PHE 104 HZ PHE 104 -4.056 4.109 4.109 816 H ALA 105 H ALA 105 -4.090 9.600 9.600 817 HA ALA 105 HA ALA 105 -5.012 12.108 12.108 818 1HB ALA 105 1HB ALA 105 -3.613 11.316 11.316 819 2HB ALA 105 3HB ALA 105 -4.538 12.817 12.817 820 3HB ALA 105 2HB ALA 105 -3.249 12.610 12.610 821 H GLY 106 H GLY 106 -6.220 9.949 9.949 822 1HA GLY 106 2HA GLY 106 -8.799 9.876 9.876 823 2HA GLY 106 1HA GLY 106 -8.701 11.626 11.626 824 H ILE 107 H ILE 107 -9.116 12.285 12.285 825 HA ILE 107 HA ILE 107 -9.258 10.556 10.556 826 HB ILE 107 HB ILE 107 -9.602 12.643 12.643 827 1HG1 ILE 107 2HG1 ILE 107 -9.125 14.060 14.060 828 2HG1 ILE 107 1HG1 ILE 107 -7.922 13.976 13.976 829 1HG2 ILE 107 2HG2 ILE 107 -11.476 11.630 11.630 830 2HG2 ILE 107 1HG2 ILE 107 -11.033 12.586 12.586 831 3HG2 ILE 107 3HG2 ILE 107 -11.611 13.388 13.388 832 1HD1 ILE 107 3HD1 ILE 107 -10.595 14.831 14.831 833 2HD1 ILE 107 2HD1 ILE 107 -9.823 15.945 15.945 834 3HD1 ILE 107 1HD1 ILE 107 -9.009 15.506 15.506 835 H GLY 108 H GLY 108 -8.146 11.484 11.484 836 1HA GLY 108 2HA GLY 108 -5.416 10.685 10.685 837 2HA GLY 108 1HA GLY 108 -6.197 11.495 11.495 838 H ARG 109 H ARG 109 -6.179 13.843 13.843 839 HA ARG 109 HA ARG 109 -3.743 15.085 15.085 840 1HB ARG 109 2HB ARG 109 -6.513 16.090 16.090 841 2HB ARG 109 1HB ARG 109 -5.308 17.243 17.243 842 1HG ARG 109 2HG ARG 109 -4.802 15.392 15.392 843 2HG ARG 109 1HG ARG 109 -5.484 17.007 17.007 844 1HD ARG 109 2HD ARG 109 -3.512 18.055 18.055 845 2HD ARG 109 1HD ARG 109 -3.031 16.796 16.796 846 HE ARG 109 HE ARG 109 -1.887 15.740 15.740 847 1HH1 ARG 109 1HH2 ARG 109 -4.422 15.575 15.575 848 2HH1 ARG 109 2HH2 ARG 109 -3.911 16.422 16.422 849 1HH2 ARG 109 2HH1 ARG 109 -1.145 17.855 17.855 850 2HH2 ARG 109 1HH1 ARG 109 -2.059 17.711 17.711 851 H CYS 110 H CYS 110 -2.782 15.412 15.412 852 HA CYS 110 HA CYS 110 -4.370 15.459 15.459 853 1HB CYS 110 2HB CYS 110 -1.430 15.981 15.981 854 2HB CYS 110 1HB CYS 110 -2.444 15.045 15.045 855 HA PRO 111 HA PRO 111 -2.695 19.929 19.929 856 1HB PRO 111 2HB PRO 111 -1.667 21.052 21.052 857 2HB PRO 111 1HB PRO 111 -0.674 20.197 20.197 858 1HG PRO 111 2HG PRO 111 -1.537 19.310 19.310 859 2HG PRO 111 1HG PRO 111 -0.133 18.801 18.801 860 1HD PRO 111 1HD PRO 111 -2.567 17.370 17.370 861 2HD PRO 111 2HD PRO 111 -1.263 16.985 16.985 Start of MODEL 5 1 HN PCA 1 HN PCA 1 -2.766 4.542 4.542 2 HA PCA 1 HA PCA 1 -2.324 5.320 5.320 3 1HB PCA 1 1HB PCA 1 -4.202 5.398 5.398 4 2HB PCA 1 2HB PCA 1 -4.219 3.624 3.624 5 1HG PCA 1 1HG PCA 1 -5.951 5.389 5.389 6 2HG PCA 1 2HG PCA 1 -5.968 3.615 3.615 7 H ASN 2 H ASN 2 -3.799 2.092 2.092 8 HA ASN 2 HA ASN 2 -1.121 0.851 0.851 9 1HB ASN 2 2HB ASN 2 -2.393 0.736 0.736 10 2HB ASN 2 1HB ASN 2 -3.772 0.047 0.047 11 1HD2 ASN 2 2HD2 ASN 2 -2.545 -3.189 -3.189 12 2HD2 ASN 2 1HD2 ASN 2 -3.876 -2.136 -2.136 13 H TRP 3 H TRP 3 -1.069 -1.445 -1.445 14 HA TRP 3 HA TRP 3 -2.102 -1.527 -1.527 15 1HB TRP 3 2HB TRP 3 -0.085 -2.885 -2.885 16 2HB TRP 3 1HB TRP 3 -1.160 -4.118 -4.118 17 HD1 TRP 3 HD1 TRP 3 1.847 -2.456 -2.456 18 HE1 TRP 3 HE1 TRP 3 2.363 -2.502 -2.502 19 HE3 TRP 3 HE3 TRP 3 -2.780 -3.610 -3.610 20 HZ2 TRP 3 HZ2 TRP 3 1.023 -2.967 -2.967 21 HZ3 TRP 3 HZ3 TRP 3 -3.119 -3.858 -3.858 22 HH2 TRP 3 HH2 TRP 3 -1.221 -3.544 -3.544 23 H ALA 4 H ALA 4 -3.358 -2.699 -2.699 24 HA ALA 4 HA ALA 4 -5.033 -4.830 -4.830 25 1HB ALA 4 3HB ALA 4 -4.227 -4.043 -4.043 26 2HB ALA 4 2HB ALA 4 -5.941 -3.638 -3.638 27 3HB ALA 4 1HB ALA 4 -5.423 -5.287 -5.287 28 H THR 5 H THR 5 -5.951 -1.692 -1.692 29 HA THR 5 HA THR 5 -8.638 -1.709 -1.709 30 HB THR 5 HB THR 5 -7.077 0.811 0.811 31 HG1 THR 5 HG1 THR 5 -8.285 -0.992 -0.992 32 1HG2 THR 5 1HG2 THR 5 -9.945 -0.045 -0.045 33 2HG2 THR 5 3HG2 THR 5 -9.269 1.529 1.529 34 3HG2 THR 5 2HG2 THR 5 -9.382 1.037 1.037 35 H PHE 6 H PHE 6 -5.542 -0.588 -0.588 36 HA PHE 6 HA PHE 6 -6.650 0.728 0.728 37 1HB PHE 6 2HB PHE 6 -4.432 1.314 1.314 38 2HB PHE 6 1HB PHE 6 -3.864 -0.270 -0.270 39 HD1 PHE 6 HD1 PHE 6 -3.925 -0.894 -0.894 40 HD2 PHE 6 HD2 PHE 6 -4.721 3.120 3.120 41 HE1 PHE 6 HE1 PHE 6 -3.570 -0.063 -0.063 42 HE2 PHE 6 HE2 PHE 6 -4.367 3.957 3.957 43 HZ PHE 6 HZ PHE 6 -3.790 2.343 2.343 44 H GLN 7 H GLN 7 -5.849 -2.540 -2.540 45 HA GLN 7 HA GLN 7 -5.484 -3.778 -3.778 46 1HB GLN 7 2HB GLN 7 -5.345 -4.988 -4.988 47 2HB GLN 7 1HB GLN 7 -7.105 -4.937 -4.937 48 1HG GLN 7 2HG GLN 7 -6.816 -5.955 -5.955 49 2HG GLN 7 1HG GLN 7 -5.325 -6.560 -6.560 50 1HE2 GLN 7 2HE2 GLN 7 -8.529 -8.673 -8.673 51 2HE2 GLN 7 1HE2 GLN 7 -8.188 -7.784 -7.784 52 H GLN 8 H GLN 8 -8.320 -2.611 -2.611 53 HA GLN 8 HA GLN 8 -10.254 -3.583 -3.583 54 1HB GLN 8 2HB GLN 8 -10.302 -1.778 -1.778 55 2HB GLN 8 1HB GLN 8 -11.609 -1.622 -1.622 56 1HG GLN 8 2HG GLN 8 -12.428 -3.254 -3.254 57 2HG GLN 8 1HG GLN 8 -11.761 -4.217 -4.217 58 1HE2 GLN 8 2HE2 GLN 8 -9.008 -5.438 -5.438 59 2HE2 GLN 8 1HE2 GLN 8 -9.544 -5.148 -5.148 60 H LYS 9 H LYS 9 -8.528 -0.527 -0.527 61 HA LYS 9 HA LYS 9 -9.678 1.188 1.188 62 1HB LYS 9 2HB LYS 9 -6.798 0.976 0.976 63 2HB LYS 9 1HB LYS 9 -7.377 2.258 2.258 64 1HG LYS 9 2HG LYS 9 -8.822 1.707 1.707 65 2HG LYS 9 1HG LYS 9 -7.319 2.637 2.637 66 1HD LYS 9 2HD LYS 9 -8.219 4.336 4.336 67 2HD LYS 9 1HD LYS 9 -9.563 3.318 3.318 68 1HE LYS 9 2HE LYS 9 -10.702 4.532 4.532 69 2HE LYS 9 1HE LYS 9 -10.016 3.333 3.333 70 1HZ LYS 9 2HZ LYS 9 -8.590 5.836 5.836 71 2HZ LYS 9 1HZ LYS 9 -9.697 5.753 5.753 72 3HZ LYS 9 3HZ LYS 9 -8.308 4.780 4.780 73 H HIS 10 H HIS 10 -7.472 -1.482 -1.482 74 HA HIS 10 HA HIS 10 -7.059 -0.834 -0.834 75 1HB HIS 10 2HB HIS 10 -5.600 -2.478 -2.478 76 2HB HIS 10 1HB HIS 10 -5.717 -3.193 -3.193 77 HD1 HIS 10 HD1 HIS 10 -3.008 -2.649 -2.649 78 HD2 HIS 10 HD2 HIS 10 -5.550 0.525 0.525 79 HE1 HIS 10 HE1 HIS 10 -1.549 -0.820 -0.820 80 H ILE 11 H ILE 11 -8.837 -3.259 -3.259 81 HA ILE 11 HA ILE 11 -9.765 -4.335 -4.335 82 HB ILE 11 HB ILE 11 -9.060 -6.085 -6.085 83 1HG1 ILE 11 2HG1 ILE 11 -7.070 -4.956 -4.956 84 2HG1 ILE 11 1HG1 ILE 11 -7.047 -6.703 -6.703 85 1HG2 ILE 11 2HG2 ILE 11 -10.621 -6.559 -6.559 86 2HG2 ILE 11 1HG2 ILE 11 -9.092 -7.402 -7.402 87 3HG2 ILE 11 3HG2 ILE 11 -10.068 -7.740 -7.740 88 1HD1 ILE 11 1HD1 ILE 11 -8.350 -5.173 -5.173 89 2HD1 ILE 11 3HD1 ILE 11 -6.610 -4.942 -4.942 90 3HD1 ILE 11 2HD1 ILE 11 -7.267 -6.560 -6.560 91 H ILE 12 H ILE 12 -11.655 -2.920 -2.920 92 HA ILE 12 HA ILE 12 -13.605 -4.436 -4.436 93 HB ILE 12 HB ILE 12 -13.917 -1.720 -1.720 94 1HG1 ILE 12 2HG1 ILE 12 -12.348 -1.590 -1.590 95 2HG1 ILE 12 1HG1 ILE 12 -13.860 -0.808 -0.808 96 1HG2 ILE 12 3HG2 ILE 12 -15.757 -3.529 -3.529 97 2HG2 ILE 12 2HG2 ILE 12 -15.873 -1.812 -1.812 98 3HG2 ILE 12 1HG2 ILE 12 -16.102 -2.361 -2.361 99 1HD1 ILE 12 2HD1 ILE 12 -14.579 -2.858 -2.858 100 2HD1 ILE 12 1HD1 ILE 12 -13.052 -3.633 -3.633 101 3HD1 ILE 12 3HD1 ILE 12 -13.066 -2.239 -2.239 102 H ASN 13 H ASN 13 -12.877 -5.939 -5.939 103 HA ASN 13 HA ASN 13 -13.879 -5.403 -5.403 104 1HB ASN 13 2HB ASN 13 -11.892 -6.920 -6.920 105 2HB ASN 13 1HB ASN 13 -13.138 -8.152 -8.152 106 1HD2 ASN 13 2HD2 ASN 13 -11.750 -7.791 -7.791 107 2HD2 ASN 13 1HD2 ASN 13 -10.907 -7.552 -7.552 108 H THR 14 H THR 14 -16.129 -4.942 -4.942 109 HA THR 14 HA THR 14 -17.758 -7.449 -7.449 110 HB THR 14 HB THR 14 -19.375 -6.022 -6.022 111 HG1 THR 14 HG1 THR 14 -17.959 -4.132 -4.132 112 1HG2 THR 14 3HG2 THR 14 -17.913 -8.030 -8.030 113 2HG2 THR 14 2HG2 THR 14 -16.807 -6.838 -6.838 114 3HG2 THR 14 1HG2 THR 14 -18.454 -6.965 -6.965 115 HA PRO 15 HA PRO 15 -19.056 -4.453 -4.453 116 1HB PRO 15 2HB PRO 15 -18.728 -6.174 -6.174 117 2HB PRO 15 1HB PRO 15 -17.460 -5.087 -5.087 118 1HG PRO 15 2HG PRO 15 -17.701 -8.036 -8.036 119 2HG PRO 15 1HG PRO 15 -16.252 -7.018 -7.018 120 1HD PRO 15 2HD PRO 15 -17.577 -8.103 -8.103 121 2HD PRO 15 1HD PRO 15 -16.305 -6.859 -6.859 122 H ILE 16 H ILE 16 -21.089 -4.869 -4.869 123 HA ILE 16 HA ILE 16 -22.896 -6.720 -6.720 124 HB ILE 16 HB ILE 16 -24.006 -7.238 -7.238 125 1HG1 ILE 16 2HG1 ILE 16 -21.471 -6.251 -6.251 126 2HG1 ILE 16 1HG1 ILE 16 -22.832 -5.154 -5.154 127 1HG2 ILE 16 2HG2 ILE 16 -21.203 -8.037 -8.037 128 2HG2 ILE 16 1HG2 ILE 16 -21.900 -8.610 -8.610 129 3HG2 ILE 16 3HG2 ILE 16 -22.677 -9.003 -9.003 130 1HD1 ILE 16 2HD1 ILE 16 -24.261 -7.006 -7.006 131 2HD1 ILE 16 1HD1 ILE 16 -22.724 -7.682 -7.682 132 3HD1 ILE 16 3HD1 ILE 16 -23.201 -6.062 -6.062 133 H ILE 17 H ILE 17 -25.268 -6.084 -6.084 134 HA ILE 17 HA ILE 17 -25.518 -3.156 -3.156 135 HB ILE 17 HB ILE 17 -27.934 -3.687 -3.687 136 1HG1 ILE 17 2HG1 ILE 17 -27.259 -6.599 -6.599 137 2HG1 ILE 17 1HG1 ILE 17 -27.552 -5.852 -5.852 138 1HG2 ILE 17 3HG2 ILE 17 -25.697 -4.934 -4.934 139 2HG2 ILE 17 2HG2 ILE 17 -27.342 -5.392 -5.392 140 3HG2 ILE 17 1HG2 ILE 17 -26.852 -3.699 -3.699 141 1HD1 ILE 17 3HD1 ILE 17 -29.500 -5.161 -5.161 142 2HD1 ILE 17 2HD1 ILE 17 -29.534 -6.837 -6.837 143 3HD1 ILE 17 1HD1 ILE 17 -29.773 -5.524 -5.524 144 H ASN 18 H ASN 18 -24.604 -4.272 -4.272 145 HA ASN 18 HA ASN 18 -26.579 -2.936 -2.936 146 1HB ASN 18 2HB ASN 18 -25.390 -5.656 -5.656 147 2HB ASN 18 1HB ASN 18 -26.585 -4.762 -4.762 148 1HD2 ASN 18 2HD2 ASN 18 -27.964 -7.315 -7.315 149 2HD2 ASN 18 1HD2 ASN 18 -26.455 -7.401 -7.401 150 H CYS 19 H CYS 19 -25.092 -1.259 -1.259 151 HA CYS 19 HA CYS 19 -22.290 -1.837 -1.837 152 1HB CYS 19 2HB CYS 19 -23.659 0.845 0.845 153 2HB CYS 19 1HB CYS 19 -21.946 0.514 0.514 154 H ASN 20 H ASN 20 -25.160 -1.788 -1.788 155 HA ASN 20 HA ASN 20 -23.915 -0.714 -0.714 156 1HB ASN 20 2HB ASN 20 -26.051 -1.502 -1.502 157 2HB ASN 20 1HB ASN 20 -26.284 -0.364 -0.364 158 1HD2 ASN 20 2HD2 ASN 20 -27.696 -4.170 -4.170 159 2HD2 ASN 20 1HD2 ASN 20 -26.784 -3.692 -3.692 160 H THR 21 H THR 21 -25.021 -3.997 -3.997 161 HA THR 21 HA THR 21 -24.052 -5.281 -5.281 162 HB THR 21 HB THR 21 -24.310 -6.741 -6.741 163 HG1 THR 21 HG1 THR 21 -26.445 -5.906 -5.906 164 1HG2 THR 21 1HG2 THR 21 -24.731 -7.324 -7.324 165 2HG2 THR 21 3HG2 THR 21 -25.489 -8.325 -8.325 166 3HG2 THR 21 2HG2 THR 21 -23.732 -8.189 -8.189 167 H ILE 22 H ILE 22 -22.392 -4.163 -4.163 168 HA ILE 22 HA ILE 22 -20.129 -5.998 -5.998 169 HB ILE 22 HB ILE 22 -19.132 -4.959 -4.959 170 1HG1 ILE 22 2HG1 ILE 22 -21.435 -2.987 -2.987 171 2HG1 ILE 22 1HG1 ILE 22 -19.819 -2.600 -2.600 172 1HG2 ILE 22 1HG2 ILE 22 -22.097 -5.506 -5.506 173 2HG2 ILE 22 3HG2 ILE 22 -21.133 -5.172 -5.172 174 3HG2 ILE 22 2HG2 ILE 22 -20.759 -6.571 -6.571 175 1HD1 ILE 22 2HD1 ILE 22 -20.106 -3.809 -3.809 176 2HD1 ILE 22 1HD1 ILE 22 -20.451 -2.093 -2.093 177 3HD1 ILE 22 3HD1 ILE 22 -18.858 -2.727 -2.727 178 H MET 23 H MET 23 -20.846 -2.552 -2.552 179 HA MET 23 HA MET 23 -18.154 -2.188 -2.188 180 1HB MET 23 2HB MET 23 -18.748 0.197 0.197 181 2HB MET 23 1HB MET 23 -18.991 -0.411 -0.411 182 1HG MET 23 2HG MET 23 -21.062 0.478 0.478 183 2HG MET 23 1HG MET 23 -21.443 -0.886 -0.886 184 1HE MET 23 2HE MET 23 -22.296 1.974 1.974 185 2HE MET 23 1HE MET 23 -23.284 1.905 1.905 186 3HE MET 23 3HE MET 23 -22.090 3.193 3.193 187 H ASP 24 H ASP 24 -20.789 -3.618 -3.618 188 HA ASP 24 HA ASP 24 -21.526 -2.221 -2.221 189 1HB ASP 24 2HB ASP 24 -21.604 -5.086 -5.086 190 2HB ASP 24 1HB ASP 24 -21.914 -4.741 -4.741 191 H ASN 25 H ASN 25 -19.614 -1.368 -1.368 192 HA ASN 25 HA ASN 25 -18.195 -3.091 -3.091 193 1HB ASN 25 2HB ASN 25 -17.025 -3.621 -3.621 194 2HB ASN 25 1HB ASN 25 -16.595 -1.932 -1.932 195 1HD2 ASN 25 2HD2 ASN 25 -14.940 -3.851 -3.851 196 2HD2 ASN 25 1HD2 ASN 25 -16.582 -4.098 -4.098 197 H ASN 26 H ASN 26 -16.774 -1.840 -1.840 198 HA ASN 26 HA ASN 26 -17.655 0.916 0.916 199 1HB ASN 26 2HB ASN 26 -16.941 -0.621 -0.621 200 2HB ASN 26 1HB ASN 26 -15.281 -0.481 -0.481 201 1HD2 ASN 26 2HD2 ASN 26 -17.025 2.704 2.704 202 2HD2 ASN 26 1HD2 ASN 26 -17.985 1.411 1.411 203 H ILE 27 H ILE 27 -15.329 -0.475 -0.475 204 HA ILE 27 HA ILE 27 -13.478 1.814 1.814 205 HB ILE 27 HB ILE 27 -13.609 -0.576 -0.576 206 1HG1 ILE 27 2HG1 ILE 27 -11.775 -0.157 -0.157 207 2HG1 ILE 27 1HG1 ILE 27 -13.292 -1.046 -1.046 208 1HG2 ILE 27 1HG2 ILE 27 -11.627 1.647 1.647 209 2HG2 ILE 27 3HG2 ILE 27 -11.085 0.075 0.075 210 3HG2 ILE 27 2HG2 ILE 27 -12.250 1.008 1.008 211 1HD1 ILE 27 3HD1 ILE 27 -12.389 -2.389 -2.389 212 2HD1 ILE 27 2HD1 ILE 27 -10.818 -1.747 -1.747 213 3HD1 ILE 27 1HD1 ILE 27 -11.742 -2.750 -2.750 214 H TYR 28 H TYR 28 -16.526 1.657 1.657 215 HA TYR 28 HA TYR 28 -15.951 3.490 3.490 216 1HB TYR 28 2HB TYR 28 -17.635 0.976 0.976 217 2HB TYR 28 1HB TYR 28 -17.805 2.297 2.297 218 HD1 TYR 28 HD2 TYR 28 -15.487 3.224 3.224 219 HD2 TYR 28 HD1 TYR 28 -16.128 -0.732 -0.732 220 HE1 TYR 28 HE2 TYR 28 -13.513 2.416 2.416 221 HE2 TYR 28 HE1 TYR 28 -14.147 -1.536 -1.536 222 HH TYR 28 HH TYR 28 -12.603 0.348 0.348 223 H ILE 29 H ILE 29 -16.727 4.768 4.768 224 HA ILE 29 HA ILE 29 -19.621 5.360 5.360 225 HB ILE 29 HB ILE 29 -18.501 4.867 4.867 226 1HG1 ILE 29 2HG1 ILE 29 -20.360 3.110 3.110 227 2HG1 ILE 29 1HG1 ILE 29 -18.658 2.761 2.761 228 1HG2 ILE 29 2HG2 ILE 29 -21.055 5.871 5.871 229 2HG2 ILE 29 1HG2 ILE 29 -21.209 4.713 4.713 230 3HG2 ILE 29 3HG2 ILE 29 -20.310 6.211 6.211 231 1HD1 ILE 29 2HD1 ILE 29 -20.714 3.142 3.142 232 2HD1 ILE 29 1HD1 ILE 29 -20.187 1.572 1.572 233 3HD1 ILE 29 3HD1 ILE 29 -19.037 2.635 2.635 234 H VAL 30 H VAL 30 -20.244 7.411 7.411 235 HA VAL 30 HA VAL 30 -17.996 9.359 9.359 236 HB VAL 30 HB VAL 30 -20.818 9.807 9.807 237 1HG1 VAL 30 1HG1 VAL 30 -18.453 11.642 11.642 238 2HG1 VAL 30 3HG1 VAL 30 -19.726 12.016 12.016 239 3HG1 VAL 30 2HG1 VAL 30 -20.117 11.854 11.854 240 1HG2 VAL 30 1HG2 VAL 30 -19.203 8.495 8.495 241 2HG2 VAL 30 3HG2 VAL 30 -19.765 10.009 10.009 242 3HG2 VAL 30 2HG2 VAL 30 -18.156 9.915 9.915 243 H GLY 31 H GLY 31 -18.807 11.304 11.304 244 1HA GLY 31 2HA GLY 31 -20.028 10.118 10.118 245 2HA GLY 31 1HA GLY 31 -19.242 11.694 11.694 246 H GLY 32 H GLY 32 -21.944 10.176 10.176 247 1HA GLY 32 2HA GLY 32 -23.939 11.979 11.979 248 2HA GLY 32 1HA GLY 32 -23.533 12.350 12.350 249 H GLN 33 H GLN 33 -23.278 10.089 10.089 250 HA GLN 33 HA GLN 33 -25.191 7.991 7.991 251 1HB GLN 33 2HB GLN 33 -25.951 10.207 10.207 252 2HB GLN 33 1HB GLN 33 -26.470 8.569 8.569 253 1HG GLN 33 2HG GLN 33 -27.269 8.497 8.497 254 2HG GLN 33 1HG GLN 33 -27.187 10.257 10.257 255 1HE2 GLN 33 2HE2 GLN 33 -29.625 10.104 10.104 256 2HE2 GLN 33 1HE2 GLN 33 -28.004 10.590 10.590 257 H CYS 34 H CYS 34 -24.239 9.463 9.463 258 HA CYS 34 HA CYS 34 -22.414 7.181 7.181 259 1HB CYS 34 2HB CYS 34 -24.492 8.230 8.230 260 2HB CYS 34 1HB CYS 34 -23.362 6.906 6.906 261 H LYS 35 H LYS 35 -21.698 7.948 7.948 262 HA LYS 35 HA LYS 35 -20.686 10.742 10.742 263 1HB LYS 35 2HB LYS 35 -19.089 8.545 8.545 264 2HB LYS 35 1HB LYS 35 -19.094 8.892 8.892 265 1HG LYS 35 2HG LYS 35 -18.789 11.381 11.381 266 2HG LYS 35 1HG LYS 35 -17.631 10.236 10.236 267 1HD LYS 35 2HD LYS 35 -17.113 9.666 9.666 268 2HD LYS 35 1HD LYS 35 -17.880 11.219 11.219 269 1HE LYS 35 2HE LYS 35 -15.774 11.050 11.050 270 2HE LYS 35 1HE LYS 35 -15.286 11.118 11.118 271 1HZ LYS 35 2HZ LYS 35 -17.144 13.056 13.056 272 2HZ LYS 35 1HZ LYS 35 -15.474 13.319 13.319 273 3HZ LYS 35 3HZ LYS 35 -16.446 13.162 13.162 274 H ARG 36 H ARG 36 -19.893 11.611 11.611 275 HA ARG 36 HA ARG 36 -22.189 11.494 11.494 276 1HB ARG 36 2HB ARG 36 -20.858 13.171 13.171 277 2HB ARG 36 1HB ARG 36 -21.096 13.635 13.635 278 1HG ARG 36 2HG ARG 36 -18.880 13.188 13.188 279 2HG ARG 36 1HG ARG 36 -18.653 12.067 12.067 280 1HD ARG 36 2HD ARG 36 -18.089 13.725 13.725 281 2HD ARG 36 1HD ARG 36 -19.308 14.830 14.830 282 HE ARG 36 HE ARG 36 -17.640 15.123 15.123 283 1HH1 ARG 36 1HH2 ARG 36 -17.120 15.762 15.762 284 2HH1 ARG 36 2HH2 ARG 36 -15.390 15.802 15.802 285 1HH2 ARG 36 2HH1 ARG 36 -15.250 14.540 14.540 286 2HH2 ARG 36 1HH1 ARG 36 -14.331 15.111 15.111 287 H VAL 37 H VAL 37 -19.070 9.929 9.929 288 HA VAL 37 HA VAL 37 -19.681 8.456 8.456 289 HB VAL 37 HB VAL 37 -17.015 9.851 9.851 290 1HG1 VAL 37 2HG1 VAL 37 -17.340 7.650 7.650 291 2HG1 VAL 37 1HG1 VAL 37 -18.160 8.688 8.688 292 3HG1 VAL 37 3HG1 VAL 37 -16.473 8.988 8.988 293 1HG2 VAL 37 3HG2 VAL 37 -19.417 10.594 10.594 294 2HG2 VAL 37 2HG2 VAL 37 -18.709 11.552 11.552 295 3HG2 VAL 37 1HG2 VAL 37 -17.812 11.297 11.297 296 H ASN 38 H ASN 38 -19.608 6.426 6.426 297 HA ASN 38 HA ASN 38 -17.436 5.630 5.630 298 1HB ASN 38 2HB ASN 38 -19.756 3.915 3.915 299 2HB ASN 38 1HB ASN 38 -18.676 3.577 3.577 300 1HD2 ASN 38 2HD2 ASN 38 -20.346 6.690 6.690 301 2HD2 ASN 38 1HD2 ASN 38 -18.839 6.573 6.573 302 H THR 39 H THR 39 -15.791 5.820 5.820 303 HA THR 39 HA THR 39 -15.921 4.406 4.406 304 HB THR 39 HB THR 39 -13.491 5.599 5.599 305 HG1 THR 39 HG1 THR 39 -14.097 7.440 7.440 306 1HG2 THR 39 3HG2 THR 39 -13.773 4.150 4.150 307 2HG2 THR 39 2HG2 THR 39 -13.698 5.841 5.841 308 3HG2 THR 39 1HG2 THR 39 -12.399 5.148 5.148 309 H PHE 40 H PHE 40 -15.654 2.313 2.313 310 HA PHE 40 HA PHE 40 -13.956 0.750 0.750 311 1HB PHE 40 2HB PHE 40 -15.955 -0.188 -0.188 312 2HB PHE 40 1HB PHE 40 -15.181 -1.193 -1.193 313 HD1 PHE 40 HD1 PHE 40 -15.319 0.316 0.316 314 HD2 PHE 40 HD2 PHE 40 -18.221 0.021 0.021 315 HE1 PHE 40 HE1 PHE 40 -17.121 0.867 0.867 316 HE2 PHE 40 HE2 PHE 40 -20.021 0.573 0.573 317 HZ PHE 40 HZ PHE 40 -19.473 0.996 0.996 318 H ILE 41 H ILE 41 -12.407 -0.887 -0.887 319 HA ILE 41 HA ILE 41 -11.680 0.066 0.066 320 HB ILE 41 HB ILE 41 -10.094 1.025 1.025 321 1HG1 ILE 41 2HG1 ILE 41 -8.420 -1.257 -1.257 322 2HG1 ILE 41 1HG1 ILE 41 -9.374 -0.490 -0.490 323 1HG2 ILE 41 2HG2 ILE 41 -9.948 -1.766 -1.766 324 2HG2 ILE 41 1HG2 ILE 41 -8.671 -0.586 -0.586 325 3HG2 ILE 41 3HG2 ILE 41 -10.307 -0.259 -0.259 326 1HD1 ILE 41 1HD1 ILE 41 -8.489 1.744 1.744 327 2HD1 ILE 41 3HD1 ILE 41 -7.318 0.784 0.784 328 3HD1 ILE 41 2HD1 ILE 41 -7.331 0.729 0.729 329 H ILE 42 H ILE 42 -11.561 -1.483 -1.483 330 HA ILE 42 HA ILE 42 -11.441 -4.340 -4.340 331 HB ILE 42 HB ILE 42 -13.547 -3.916 -3.916 332 1HG1 ILE 42 2HG1 ILE 42 -12.050 -5.127 -5.127 333 2HG1 ILE 42 1HG1 ILE 42 -11.903 -5.917 -5.917 334 1HG2 ILE 42 3HG2 ILE 42 -12.801 -1.839 -1.839 335 2HG2 ILE 42 2HG2 ILE 42 -11.992 -2.868 -2.868 336 3HG2 ILE 42 1HG2 ILE 42 -13.742 -2.943 -2.943 337 1HD1 ILE 42 3HD1 ILE 42 -14.539 -5.207 -5.207 338 2HD1 ILE 42 2HD1 ILE 42 -13.800 -6.808 -6.808 339 3HD1 ILE 42 1HD1 ILE 42 -14.323 -6.122 -6.122 340 H SER 43 H SER 43 -9.314 -4.776 -4.776 341 HA SER 43 HA SER 43 -7.935 -5.342 -5.342 342 1HB SER 43 2HB SER 43 -7.848 -2.931 -2.931 343 2HB SER 43 1HB SER 43 -7.217 -2.633 -2.633 344 HG SER 43 HG SER 43 -5.743 -2.872 -2.872 345 H SER 44 H SER 44 -5.785 -6.147 -6.147 346 HA SER 44 HA SER 44 -5.398 -7.426 -7.426 347 1HB SER 44 2HB SER 44 -4.098 -8.215 -8.215 348 2HB SER 44 1HB SER 44 -3.351 -6.638 -6.638 349 HG SER 44 HG SER 44 -2.973 -8.496 -8.496 350 H ALA 45 H ALA 45 -4.828 -6.707 -6.707 351 HA ALA 45 HA ALA 45 -4.483 -3.958 -3.958 352 1HB ALA 45 2HB ALA 45 -4.160 -6.539 -6.539 353 2HB ALA 45 1HB ALA 45 -3.411 -5.111 -5.111 354 3HB ALA 45 3HB ALA 45 -5.144 -5.134 -5.134 355 H THR 46 H THR 46 -2.098 -6.519 -6.519 356 HA THR 46 HA THR 46 0.152 -4.880 -4.880 357 HB THR 46 HB THR 46 0.239 -7.295 -7.295 358 HG1 THR 46 HG1 THR 46 2.274 -7.544 -7.544 359 1HG2 THR 46 1HG2 THR 46 -0.659 -7.172 -7.172 360 2HG2 THR 46 3HG2 THR 46 0.747 -8.220 -8.220 361 3HG2 THR 46 2HG2 THR 46 -0.710 -8.525 -8.525 362 H THR 47 H THR 47 -1.517 -5.337 -5.337 363 HA THR 47 HA THR 47 0.640 -4.442 -4.442 364 HB THR 47 HB THR 47 -1.306 -3.732 -3.732 365 HG1 THR 47 HG1 THR 47 -2.961 -3.608 -3.608 366 1HG2 THR 47 1HG2 THR 47 -0.984 -6.595 -6.595 367 2HG2 THR 47 3HG2 THR 47 -1.776 -6.114 -6.114 368 3HG2 THR 47 2HG2 THR 47 -0.058 -5.791 -5.791 369 H VAL 48 H VAL 48 -1.955 -2.867 -2.867 370 HA VAL 48 HA VAL 48 -1.317 -0.164 -0.164 371 HB VAL 48 HB VAL 48 -2.704 -1.113 -1.113 372 1HG1 VAL 48 3HG1 VAL 48 -2.445 1.578 1.578 373 2HG1 VAL 48 2HG1 VAL 48 -3.719 1.228 1.228 374 3HG1 VAL 48 1HG1 VAL 48 -2.027 1.153 1.153 375 1HG2 VAL 48 3HG2 VAL 48 -3.655 -1.691 -1.691 376 2HG2 VAL 48 2HG2 VAL 48 -4.733 -1.040 -1.040 377 3HG2 VAL 48 1HG2 VAL 48 -4.091 0.018 0.018 378 H LYS 49 H LYS 49 -0.416 -2.293 -2.293 379 HA LYS 49 HA LYS 49 1.161 -0.515 -0.515 380 1HB LYS 49 2HB LYS 49 0.427 -2.808 -2.808 381 2HB LYS 49 1HB LYS 49 1.610 -3.491 -3.491 382 1HG LYS 49 2HG LYS 49 3.319 -1.976 -1.976 383 2HG LYS 49 1HG LYS 49 2.083 -1.908 -1.908 384 1HD LYS 49 2HD LYS 49 3.055 -3.827 -3.827 385 2HD LYS 49 1HD LYS 49 2.127 -4.590 -4.590 386 1HE LYS 49 2HE LYS 49 4.249 -5.370 -5.370 387 2HE LYS 49 1HE LYS 49 4.228 -3.889 -3.889 388 1HZ LYS 49 2HZ LYS 49 5.269 -4.053 -4.053 389 2HZ LYS 49 1HZ LYS 49 6.244 -4.172 -4.172 390 3HZ LYS 49 3HZ LYS 49 5.397 -2.738 -2.738 391 H ALA 50 H ALA 50 1.768 -2.053 -2.053 392 HA ALA 50 HA ALA 50 4.666 -1.802 -1.802 393 1HB ALA 50 1HB ALA 50 2.687 -2.911 -2.911 394 2HB ALA 50 3HB ALA 50 3.950 -2.020 -2.020 395 3HB ALA 50 2HB ALA 50 4.379 -3.348 -3.348 396 H ILE 51 H ILE 51 1.981 0.106 0.106 397 HA ILE 51 HA ILE 51 3.681 2.007 2.007 398 HB ILE 51 HB ILE 51 0.856 2.383 2.383 399 1HG1 ILE 51 2HG1 ILE 51 1.083 0.458 0.458 400 2HG1 ILE 51 1HG1 ILE 51 0.196 1.773 1.773 401 1HG2 ILE 51 2HG2 ILE 51 2.679 4.001 4.001 402 2HG2 ILE 51 1HG2 ILE 51 0.954 3.983 3.983 403 3HG2 ILE 51 3HG2 ILE 51 1.513 4.546 4.546 404 1HD1 ILE 51 3HD1 ILE 51 2.363 2.513 2.513 405 2HD1 ILE 51 2HD1 ILE 51 3.102 1.036 1.036 406 3HD1 ILE 51 1HD1 ILE 51 1.788 0.938 0.938 407 H CYS 52 H CYS 52 2.916 1.587 1.587 408 HA CYS 52 HA CYS 52 3.737 4.372 4.372 409 1HB CYS 52 2HB CYS 52 1.833 2.659 2.659 410 2HB CYS 52 1HB CYS 52 3.149 2.735 2.735 411 H THR 53 H THR 53 5.530 2.089 2.089 412 HA THR 53 HA THR 53 7.286 1.611 1.611 413 HB THR 53 HB THR 53 7.790 0.885 0.885 414 HG1 THR 53 HG1 THR 53 6.841 -1.096 -1.096 415 1HG2 THR 53 1HG2 THR 53 9.410 0.722 0.722 416 2HG2 THR 53 3HG2 THR 53 8.742 -0.902 -0.902 417 3HG2 THR 53 2HG2 THR 53 9.630 -0.179 -0.179 418 H GLY 54 H GLY 54 8.545 3.348 3.348 419 1HA GLY 54 2HA GLY 54 10.368 4.504 4.504 420 2HA GLY 54 1HA GLY 54 9.171 5.644 5.644 421 H VAL 55 H VAL 55 8.999 5.417 5.417 422 HA VAL 55 HA VAL 55 11.526 4.849 4.849 423 HB VAL 55 HB VAL 55 11.729 7.106 7.106 424 1HG1 VAL 55 2HG1 VAL 55 9.439 7.844 7.844 425 2HG1 VAL 55 1HG1 VAL 55 10.461 8.335 8.335 426 3HG1 VAL 55 3HG1 VAL 55 10.727 9.020 9.020 427 1HG2 VAL 55 3HG2 VAL 55 12.909 6.120 6.120 428 2HG2 VAL 55 2HG2 VAL 55 13.481 7.487 7.487 429 3HG2 VAL 55 1HG2 VAL 55 12.447 7.764 7.764 430 H ILE 56 H ILE 56 11.133 6.302 6.302 431 HA ILE 56 HA ILE 56 8.739 4.955 4.955 432 HB ILE 56 HB ILE 56 10.954 4.849 4.849 433 1HG1 ILE 56 2HG1 ILE 56 9.077 6.347 6.347 434 2HG1 ILE 56 1HG1 ILE 56 8.603 4.783 4.783 435 1HG2 ILE 56 2HG2 ILE 56 11.603 7.229 7.229 436 2HG2 ILE 56 1HG2 ILE 56 10.459 7.759 7.759 437 3HG2 ILE 56 3HG2 ILE 56 11.851 6.777 6.777 438 1HD1 ILE 56 3HD1 ILE 56 11.309 5.076 5.076 439 2HD1 ILE 56 2HD1 ILE 56 9.892 4.905 4.905 440 3HD1 ILE 56 1HD1 ILE 56 10.289 3.643 3.643 441 H ASN 57 H ASN 57 8.467 7.396 7.396 442 HA ASN 57 HA ASN 57 6.246 8.698 8.698 443 1HB ASN 57 2HB ASN 57 8.236 9.545 9.545 444 2HB ASN 57 1HB ASN 57 8.602 10.564 10.564 445 1HD2 ASN 57 2HD2 ASN 57 5.636 11.644 11.644 446 2HD2 ASN 57 1HD2 ASN 57 6.786 10.457 10.457 447 H MET 58 H MET 58 5.284 9.264 9.264 448 HA MET 58 HA MET 58 6.702 10.964 10.964 449 1HB MET 58 2HB MET 58 7.287 8.402 8.402 450 2HB MET 58 1HB MET 58 5.714 8.365 8.365 451 1HG MET 58 2HG MET 58 6.411 9.702 9.702 452 2HG MET 58 1HG MET 58 7.568 10.579 10.579 453 1HE MET 58 3HE MET 58 6.966 8.807 8.807 454 2HE MET 58 2HE MET 58 8.548 8.268 8.268 455 3HE MET 58 1HE MET 58 7.448 7.117 7.117 456 H ASN 59 H ASN 59 5.291 11.173 11.173 457 HA ASN 59 HA ASN 59 2.360 11.037 11.037 458 1HB ASN 59 2HB ASN 59 3.348 13.379 13.379 459 2HB ASN 59 1HB ASN 59 3.743 13.359 13.359 460 1HD2 ASN 59 2HD2 ASN 59 0.201 14.714 14.714 461 2HD2 ASN 59 1HD2 ASN 59 1.632 14.891 14.891 462 H VAL 60 H VAL 60 1.552 9.675 9.675 463 HA VAL 60 HA VAL 60 2.745 9.908 9.908 464 HB VAL 60 HB VAL 60 3.666 7.929 7.929 465 1HG1 VAL 60 3HG1 VAL 60 0.757 7.114 7.114 466 2HG1 VAL 60 2HG1 VAL 60 2.131 6.067 6.067 467 3HG1 VAL 60 1HG1 VAL 60 1.848 7.513 7.513 468 1HG2 VAL 60 3HG2 VAL 60 3.043 7.930 7.930 469 2HG2 VAL 60 2HG2 VAL 60 3.256 6.351 6.351 470 3HG2 VAL 60 1HG2 VAL 60 1.634 6.976 6.976 471 H LEU 61 H LEU 61 1.318 9.020 9.020 472 HA LEU 61 HA LEU 61 -1.583 9.174 9.174 473 1HB LEU 61 2HB LEU 61 -0.242 11.105 11.105 474 2HB LEU 61 1HB LEU 61 -0.826 10.067 10.067 475 HG LEU 61 HG LEU 61 -2.675 10.917 10.917 476 1HD1 LEU 61 1HD1 LEU 61 -1.362 12.774 12.774 477 2HD1 LEU 61 3HD1 LEU 61 -2.872 12.498 12.498 478 3HD1 LEU 61 2HD1 LEU 61 -2.906 13.029 13.029 479 1HD2 LEU 61 3HD2 LEU 61 -3.149 9.094 9.094 480 2HD2 LEU 61 2HD2 LEU 61 -4.374 10.341 10.341 481 3HD2 LEU 61 1HD2 LEU 61 -3.274 10.432 10.432 482 H SER 62 H SER 62 -2.378 7.139 7.139 483 HA SER 62 HA SER 62 -1.209 5.114 5.114 484 1HB SER 62 2HB SER 62 -4.126 5.344 5.344 485 2HB SER 62 1HB SER 62 -3.258 3.883 3.883 486 HG SER 62 HG SER 62 -2.913 5.508 5.508 487 H THR 63 H THR 63 -0.770 5.989 5.989 488 HA THR 63 HA THR 63 -2.851 7.248 7.248 489 HB THR 63 HB THR 63 -1.046 6.841 6.841 490 HG1 THR 63 HG1 THR 63 0.641 6.590 6.590 491 1HG2 THR 63 1HG2 THR 63 -1.550 8.888 8.888 492 2HG2 THR 63 3HG2 THR 63 0.165 8.580 8.580 493 3HG2 THR 63 2HG2 THR 63 -0.409 8.974 8.974 494 H THR 64 H THR 64 -1.093 4.136 4.136 495 HA THR 64 HA THR 64 -2.560 2.980 2.980 496 HB THR 64 HB THR 64 -1.889 0.771 0.771 497 HG1 THR 64 HG1 THR 64 -0.228 1.193 1.193 498 1HG2 THR 64 1HG2 THR 64 -0.499 2.506 2.506 499 2HG2 THR 64 3HG2 THR 64 0.606 2.309 2.309 500 3HG2 THR 64 2HG2 THR 64 0.056 0.897 0.897 501 H ARG 65 H ARG 65 -4.723 3.008 3.008 502 HA ARG 65 HA ARG 65 -6.559 3.301 3.301 503 1HB ARG 65 2HB ARG 65 -8.172 2.072 2.072 504 2HB ARG 65 1HB ARG 65 -7.112 3.053 3.053 505 1HG ARG 65 2HG ARG 65 -5.651 0.870 0.870 506 2HG ARG 65 1HG ARG 65 -7.152 0.070 0.070 507 1HD ARG 65 2HD ARG 65 -8.278 0.812 0.812 508 2HD ARG 65 1HD ARG 65 -7.036 2.013 2.013 509 HE ARG 65 HE ARG 65 -6.838 -0.891 -0.891 510 1HH1 ARG 65 1HH2 ARG 65 -4.204 -0.344 -0.344 511 2HH1 ARG 65 2HH2 ARG 65 -3.367 0.350 0.350 512 1HH2 ARG 65 2HH1 ARG 65 -6.271 1.117 1.117 513 2HH2 ARG 65 1HH1 ARG 65 -4.541 1.177 1.177 514 H PHE 66 H PHE 66 -6.517 2.406 2.406 515 HA PHE 66 HA PHE 66 -6.096 -0.546 -0.546 516 1HB PHE 66 2HB PHE 66 -6.093 1.799 1.799 517 2HB PHE 66 1HB PHE 66 -6.347 0.171 0.171 518 HD1 PHE 66 HD2 PHE 66 -3.942 2.430 2.430 519 HD2 PHE 66 HD1 PHE 66 -4.547 -1.504 -1.504 520 HE1 PHE 66 HE2 PHE 66 -1.518 1.985 1.985 521 HE2 PHE 66 HE1 PHE 66 -2.122 -1.930 -1.930 522 HZ PHE 66 HZ PHE 66 -0.605 -0.193 -0.193 523 H GLN 67 H GLN 67 -8.453 0.195 0.195 524 HA GLN 67 HA GLN 67 -10.840 0.401 0.401 525 1HB GLN 67 2HB GLN 67 -9.806 -2.331 -2.331 526 2HB GLN 67 1HB GLN 67 -11.548 -2.045 -2.045 527 1HG GLN 67 2HG GLN 67 -10.897 -0.791 -0.791 528 2HG GLN 67 1HG GLN 67 -9.551 -1.928 -1.928 529 1HE2 GLN 67 2HE2 GLN 67 -11.525 -4.686 -4.686 530 2HE2 GLN 67 1HE2 GLN 67 -9.976 -4.072 -4.072 531 H LEU 68 H LEU 68 -11.948 1.632 1.632 532 HA LEU 68 HA LEU 68 -12.048 0.590 0.590 533 1HB LEU 68 2HB LEU 68 -13.101 2.898 2.898 534 2HB LEU 68 1HB LEU 68 -11.379 2.821 2.821 535 HG LEU 68 HG LEU 68 -11.686 3.668 3.668 536 1HD1 LEU 68 3HD1 LEU 68 -14.613 3.181 3.181 537 2HD1 LEU 68 2HD1 LEU 68 -14.103 4.353 4.353 538 3HD1 LEU 68 1HD1 LEU 68 -13.658 2.656 2.656 539 1HD2 LEU 68 2HD2 LEU 68 -11.844 5.254 5.254 540 2HD2 LEU 68 1HD2 LEU 68 -12.538 5.860 5.860 541 3HD2 LEU 68 3HD2 LEU 68 -13.588 5.231 5.231 542 H ASN 69 H ASN 69 -14.003 0.528 0.528 543 HA ASN 69 HA ASN 69 -16.480 0.225 0.225 544 1HB ASN 69 2HB ASN 69 -15.440 -1.811 -1.811 545 2HB ASN 69 1HB ASN 69 -16.209 -0.986 -0.986 546 1HD2 ASN 69 2HD2 ASN 69 -19.458 -1.989 -1.989 547 2HD2 ASN 69 1HD2 ASN 69 -18.476 -1.159 -1.159 548 H THR 70 H THR 70 -17.228 2.385 2.385 549 HA THR 70 HA THR 70 -17.116 3.565 3.565 550 HB THR 70 HB THR 70 -18.003 4.931 4.931 551 HG1 THR 70 HG1 THR 70 -15.979 4.267 4.267 552 1HG2 THR 70 3HG2 THR 70 -18.116 5.763 5.763 553 2HG2 THR 70 2HG2 THR 70 -16.527 6.355 6.355 554 3HG2 THR 70 1HG2 THR 70 -17.964 6.844 6.844 555 H CYS 71 H CYS 71 -18.760 3.608 3.608 556 HA CYS 71 HA CYS 71 -21.550 3.397 3.397 557 1HB CYS 71 2HB CYS 71 -20.368 2.607 2.607 558 2HB CYS 71 1HB CYS 71 -22.095 2.892 2.892 559 H THR 72 H THR 72 -22.141 5.517 5.517 560 HA THR 72 HA THR 72 -21.166 7.556 7.556 561 HB THR 72 HB THR 72 -22.741 8.124 8.124 562 HG1 THR 72 HG1 THR 72 -21.047 6.826 6.826 563 1HG2 THR 72 3HG2 THR 72 -20.814 9.625 9.625 564 2HG2 THR 72 2HG2 THR 72 -21.082 10.119 10.119 565 3HG2 THR 72 1HG2 THR 72 -22.427 10.103 10.103 566 H ARG 73 H ARG 73 -22.565 8.875 8.875 567 HA ARG 73 HA ARG 73 -25.163 7.809 7.809 568 1HB ARG 73 2HB ARG 73 -23.668 9.090 9.090 569 2HB ARG 73 1HB ARG 73 -23.981 10.541 10.541 570 1HG ARG 73 2HG ARG 73 -26.531 9.511 9.511 571 2HG ARG 73 1HG ARG 73 -25.651 9.261 9.261 572 1HD ARG 73 2HD ARG 73 -24.885 11.685 11.685 573 2HD ARG 73 1HD ARG 73 -26.068 11.865 11.865 574 HE ARG 73 HE ARG 73 -27.000 10.859 10.859 575 1HH1 ARG 73 2HH1 ARG 73 -29.170 11.483 11.483 576 2HH1 ARG 73 1HH1 ARG 73 -29.505 13.160 13.160 577 1HH2 ARG 73 1HH2 ARG 73 -26.430 13.807 13.807 578 2HH2 ARG 73 2HH2 ARG 73 -27.956 14.474 14.474 579 H THR 74 H THR 74 -26.891 7.997 7.997 580 HA THR 74 HA THR 74 -27.370 10.641 10.641 581 HB THR 74 HB THR 74 -28.220 9.235 9.235 582 HG1 THR 74 HG1 THR 74 -27.492 7.237 7.237 583 1HG2 THR 74 1HG2 THR 74 -25.915 10.626 10.626 584 2HG2 THR 74 3HG2 THR 74 -25.282 9.050 9.050 585 3HG2 THR 74 2HG2 THR 74 -26.334 9.946 9.946 586 H SER 75 H SER 75 -29.274 7.709 7.709 587 HA SER 75 HA SER 75 -31.274 7.980 7.980 588 1HB SER 75 2HB SER 75 -33.044 9.127 9.127 589 2HB SER 75 1HB SER 75 -31.734 10.182 10.182 590 HG SER 75 HG SER 75 -32.546 9.651 9.651 591 H ILE 76 H ILE 76 -32.169 5.992 5.992 592 HA ILE 76 HA ILE 76 -33.211 4.917 4.917 593 HB ILE 76 HB ILE 76 -32.092 2.686 2.686 594 1HG1 ILE 76 2HG1 ILE 76 -30.193 4.328 4.328 595 2HG1 ILE 76 1HG1 ILE 76 -31.470 3.333 3.333 596 1HG2 ILE 76 2HG2 ILE 76 -31.335 4.398 4.398 597 2HG2 ILE 76 1HG2 ILE 76 -30.158 4.956 4.956 598 3HG2 ILE 76 3HG2 ILE 76 -30.067 3.310 3.310 599 1HD1 ILE 76 1HD1 ILE 76 -29.427 2.253 2.253 600 2HD1 ILE 76 3HD1 ILE 76 -29.204 2.196 2.196 601 3HD1 ILE 76 2HD1 ILE 76 -30.548 1.331 1.331 602 H THR 77 H THR 77 -34.056 2.501 2.501 603 HA THR 77 HA THR 77 -36.321 2.859 2.859 604 HB THR 77 HB THR 77 -35.715 0.117 0.117 605 HG1 THR 77 HG1 THR 77 -34.808 -0.489 -0.489 606 1HG2 THR 77 2HG2 THR 77 -37.400 1.806 1.806 607 2HG2 THR 77 1HG2 THR 77 -37.250 0.084 0.084 608 3HG2 THR 77 3HG2 THR 77 -37.892 0.615 0.615 609 HA PRO 78 HA PRO 78 -34.176 0.894 0.894 610 1HB PRO 78 2HB PRO 78 -31.448 0.542 0.542 611 2HB PRO 78 1HB PRO 78 -32.623 -0.699 -0.699 612 1HG PRO 78 2HG PRO 78 -30.908 1.024 1.024 613 2HG PRO 78 1HG PRO 78 -31.538 -0.604 -0.604 614 1HD PRO 78 2HD PRO 78 -32.591 1.763 1.763 615 2HD PRO 78 1HD PRO 78 -33.437 0.207 0.207 616 H ARG 79 H ARG 79 -34.158 2.406 2.406 617 HA ARG 79 HA ARG 79 -32.057 4.489 4.489 618 1HB ARG 79 2HB ARG 79 -34.944 4.953 4.953 619 2HB ARG 79 1HB ARG 79 -34.206 6.023 6.023 620 1HG ARG 79 2HG ARG 79 -32.769 6.974 6.974 621 2HG ARG 79 1HG ARG 79 -32.704 5.521 5.521 622 1HD ARG 79 2HD ARG 79 -33.963 7.368 7.368 623 2HD ARG 79 1HD ARG 79 -34.965 5.941 5.941 624 HE ARG 79 HE ARG 79 -35.035 8.159 8.159 625 1HH1 ARG 79 1HH2 ARG 79 -36.679 5.498 5.498 626 2HH1 ARG 79 2HH2 ARG 79 -38.207 6.280 6.280 627 1HH2 ARG 79 2HH1 ARG 79 -36.927 9.478 9.478 628 2HH2 ARG 79 1HH1 ARG 79 -38.348 8.537 8.537 629 HA PRO 80 HA PRO 80 -32.450 6.614 6.614 630 1HB PRO 80 2HB PRO 80 -30.860 7.459 7.459 631 2HB PRO 80 1HB PRO 80 -32.613 7.707 7.707 632 1HG PRO 80 2HG PRO 80 -31.039 5.762 5.762 633 2HG PRO 80 1HG PRO 80 -32.610 6.500 6.500 634 1HD PRO 80 2HD PRO 80 -32.205 3.878 3.878 635 2HD PRO 80 1HD PRO 80 -33.748 4.758 4.758 636 H CYS 81 H CYS 81 -29.981 7.606 7.606 637 HA CYS 81 HA CYS 81 -27.811 7.342 7.342 638 1HB CYS 81 2HB CYS 81 -28.133 4.986 4.986 639 2HB CYS 81 1HB CYS 81 -26.647 5.210 5.210 640 HA PRO 82 HA PRO 82 -29.316 4.259 4.259 641 1HB PRO 82 2HB PRO 82 -29.957 6.074 6.074 642 2HB PRO 82 1HB PRO 82 -31.119 5.478 5.478 643 1HG PRO 82 2HG PRO 82 -29.806 8.144 8.144 644 2HG PRO 82 1HG PRO 82 -31.331 7.688 7.688 645 1HD PRO 82 2HD PRO 82 -28.850 8.146 8.146 646 2HD PRO 82 1HD PRO 82 -30.315 7.452 7.452 647 H TYR 83 H TYR 83 -27.893 3.534 3.534 648 HA TYR 83 HA TYR 83 -25.718 5.396 5.396 649 1HB TYR 83 2HB TYR 83 -25.374 2.758 2.758 650 2HB TYR 83 1HB TYR 83 -24.138 3.343 3.343 651 HD1 TYR 83 HD2 TYR 83 -26.199 4.424 4.424 652 HD2 TYR 83 HD1 TYR 83 -22.554 4.886 4.886 653 HE1 TYR 83 HE2 TYR 83 -25.365 5.976 5.976 654 HE2 TYR 83 HE1 TYR 83 -21.708 6.437 6.437 655 HH TYR 83 HH TYR 83 -23.741 7.728 7.728 656 H SER 84 H SER 84 -24.954 5.060 5.060 657 HA SER 84 HA SER 84 -26.200 2.810 2.810 658 1HB SER 84 2HB SER 84 -26.822 5.279 5.279 659 2HB SER 84 1HB SER 84 -25.179 5.398 5.398 660 HG SER 84 HG SER 84 -25.692 3.537 3.537 661 H SER 85 H SER 85 -24.763 1.465 1.465 662 HA SER 85 HA SER 85 -21.885 1.959 1.959 663 1HB SER 85 2HB SER 85 -23.174 -0.538 -0.538 664 2HB SER 85 1HB SER 85 -21.559 -0.385 -0.385 665 HG SER 85 HG SER 85 -23.364 -1.224 -1.224 666 H ARG 86 H ARG 86 -20.371 2.181 2.181 667 HA ARG 86 HA ARG 86 -20.952 1.698 1.698 668 1HB ARG 86 2HB ARG 86 -20.664 4.416 4.416 669 2HB ARG 86 1HB ARG 86 -19.853 4.126 4.126 670 1HG ARG 86 2HG ARG 86 -22.755 3.401 3.401 671 2HG ARG 86 1HG ARG 86 -22.267 5.001 5.001 672 1HD ARG 86 2HD ARG 86 -20.856 3.590 3.590 673 2HD ARG 86 1HD ARG 86 -22.069 2.360 2.360 674 HE ARG 86 HE ARG 86 -23.161 5.012 5.012 675 1HH1 ARG 86 2HH1 ARG 86 -24.293 2.136 2.136 676 2HH1 ARG 86 1HH1 ARG 86 -24.330 2.065 2.065 677 1HH2 ARG 86 1HH2 ARG 86 -22.282 4.831 4.831 678 2HH2 ARG 86 2HH2 ARG 86 -23.192 3.591 3.591 679 H THR 87 H THR 87 -19.146 0.634 0.634 680 HA THR 87 HA THR 87 -16.550 1.117 1.117 681 HB THR 87 HB THR 87 -17.262 -1.166 -1.166 682 HG1 THR 87 HG1 THR 87 -17.847 -2.287 -2.287 683 1HG2 THR 87 2HG2 THR 87 -14.825 -0.560 -0.560 684 2HG2 THR 87 1HG2 THR 87 -15.172 -1.062 -1.062 685 3HG2 THR 87 3HG2 THR 87 -15.314 -2.221 -2.221 686 H GLU 88 H GLU 88 -14.642 1.503 1.503 687 HA GLU 88 HA GLU 88 -14.530 1.596 1.596 688 1HB GLU 88 2HB GLU 88 -14.543 4.073 4.073 689 2HB GLU 88 1HB GLU 88 -16.107 3.447 3.447 690 1HG GLU 88 2HG GLU 88 -15.442 3.984 3.984 691 2HG GLU 88 1HG GLU 88 -14.022 4.807 4.807 692 H THR 89 H THR 89 -12.683 3.472 3.472 693 HA THR 89 HA THR 89 -10.213 2.495 2.495 694 HB THR 89 HB THR 89 -10.935 5.323 5.323 695 HG1 THR 89 HG1 THR 89 -10.444 4.538 4.538 696 1HG2 THR 89 2HG2 THR 89 -8.448 4.280 4.280 697 2HG2 THR 89 1HG2 THR 89 -8.285 4.565 4.565 698 3HG2 THR 89 3HG2 THR 89 -8.782 5.877 5.877 699 H ASN 90 H ASN 90 -8.931 2.826 2.826 700 HA ASN 90 HA ASN 90 -10.051 4.653 4.653 701 1HB ASN 90 2HB ASN 90 -9.819 2.167 2.167 702 2HB ASN 90 1HB ASN 90 -8.082 2.446 2.446 703 1HD2 ASN 90 2HD2 ASN 90 -8.387 3.252 3.252 704 2HD2 ASN 90 1HD2 ASN 90 -7.731 2.189 2.189 705 H TYR 91 H TYR 91 -9.087 6.506 6.506 706 HA TYR 91 HA TYR 91 -6.110 6.731 6.731 707 1HB TYR 91 2HB TYR 91 -8.071 7.961 7.961 708 2HB TYR 91 1HB TYR 91 -7.616 9.214 9.214 709 HD1 TYR 91 HD2 TYR 91 -6.225 6.767 6.767 710 HD2 TYR 91 HD1 TYR 91 -5.568 10.373 10.373 711 HE1 TYR 91 HE2 TYR 91 -4.153 7.195 7.195 712 HE2 TYR 91 HE1 TYR 91 -3.501 10.804 10.804 713 HH TYR 91 HH TYR 91 -2.789 9.752 9.752 714 H ILE 92 H ILE 92 -5.631 6.742 6.742 715 HA ILE 92 HA ILE 92 -7.258 8.629 8.629 716 HB ILE 92 HB ILE 92 -7.607 6.184 6.184 717 1HG1 ILE 92 2HG1 ILE 92 -6.417 7.710 7.710 718 2HG1 ILE 92 1HG1 ILE 92 -8.056 7.906 7.906 719 1HG2 ILE 92 3HG2 ILE 92 -4.714 6.236 6.236 720 2HG2 ILE 92 2HG2 ILE 92 -5.418 5.557 5.557 721 3HG2 ILE 92 1HG2 ILE 92 -5.801 4.855 4.855 722 1HD1 ILE 92 1HD1 ILE 92 -7.514 5.102 5.102 723 2HD1 ILE 92 3HD1 ILE 92 -7.185 6.031 6.031 724 3HD1 ILE 92 2HD1 ILE 92 -8.773 6.117 6.117 725 H CYS 93 H CYS 93 -6.211 9.509 9.509 726 HA CYS 93 HA CYS 93 -3.266 10.011 10.011 727 1HB CYS 93 2HB CYS 93 -4.706 12.044 12.044 728 2HB CYS 93 1HB CYS 93 -5.316 11.782 11.782 729 H VAL 94 H VAL 94 -2.159 8.852 8.852 730 HA VAL 94 HA VAL 94 -3.231 8.506 8.506 731 HB VAL 94 HB VAL 94 -2.365 6.224 6.224 732 1HG1 VAL 94 3HG1 VAL 94 -4.602 6.610 6.610 733 2HG1 VAL 94 2HG1 VAL 94 -3.853 6.867 6.867 734 3HG1 VAL 94 1HG1 VAL 94 -3.773 5.280 5.280 735 1HG2 VAL 94 2HG2 VAL 94 -1.219 7.071 7.071 736 2HG2 VAL 94 1HG2 VAL 94 -0.364 6.372 6.372 737 3HG2 VAL 94 3HG2 VAL 94 -1.452 5.371 5.371 738 H LYS 95 H LYS 95 -1.130 7.412 7.412 739 HA LYS 95 HA LYS 95 1.295 8.974 8.974 740 1HB LYS 95 2HB LYS 95 -0.340 9.230 9.230 741 2HB LYS 95 1HB LYS 95 1.378 9.634 9.634 742 1HG LYS 95 2HG LYS 95 0.943 11.200 11.200 743 2HG LYS 95 1HG LYS 95 -0.778 10.842 10.842 744 1HD LYS 95 2HD LYS 95 -0.916 11.810 11.810 745 2HD LYS 95 1HD LYS 95 0.840 11.870 11.870 746 1HE LYS 95 2HE LYS 95 0.616 13.344 13.344 747 2HE LYS 95 1HE LYS 95 -0.984 13.657 13.657 748 1HZ LYS 95 3HZ LYS 95 0.177 14.217 14.217 749 2HZ LYS 95 2HZ LYS 95 1.645 14.161 14.161 750 3HZ LYS 95 1HZ LYS 95 0.457 15.302 15.302 751 H CYS 96 H CYS 96 3.210 8.132 8.132 752 HA CYS 96 HA CYS 96 2.789 5.316 5.316 753 1HB CYS 96 2HB CYS 96 5.412 6.204 6.204 754 2HB CYS 96 1HB CYS 96 4.672 4.608 4.608 755 H GLU 97 H GLU 97 3.163 5.044 5.044 756 HA GLU 97 HA GLU 97 5.531 6.342 6.342 757 1HB GLU 97 2HB GLU 97 3.506 7.358 7.358 758 2HB GLU 97 1HB GLU 97 2.833 5.759 5.759 759 1HG GLU 97 2HG GLU 97 4.349 5.318 5.318 760 2HG GLU 97 1HG GLU 97 5.537 6.466 6.466 761 H ASN 98 H ASN 98 6.748 4.748 4.748 762 HA ASN 98 HA ASN 98 7.523 2.511 2.511 763 1HB ASN 98 2HB ASN 98 4.586 2.465 2.465 764 2HB ASN 98 1HB ASN 98 5.373 0.901 0.901 765 1HD2 ASN 98 2HD2 ASN 98 7.618 1.495 1.495 766 2HD2 ASN 98 1HD2 ASN 98 7.721 0.972 0.972 767 H GLN 99 H GLN 99 6.905 3.542 3.542 768 HA GLN 99 HA GLN 99 6.722 3.028 3.028 769 1HB GLN 99 2HB GLN 99 7.872 0.992 0.992 770 2HB GLN 99 1HB GLN 99 8.804 1.840 1.840 771 1HG GLN 99 2HG GLN 99 8.163 0.259 0.259 772 2HG GLN 99 1HG GLN 99 6.965 -0.482 -0.482 773 1HE2 GLN 99 2HE2 GLN 99 10.945 -1.203 -1.203 774 2HE2 GLN 99 1HE2 GLN 99 10.501 0.271 0.271 775 H TYR 100 H TYR 100 4.429 1.937 1.937 776 HA TYR 100 HA TYR 100 3.095 0.464 0.464 777 1HB TYR 100 2HB TYR 100 2.282 -1.101 -1.101 778 2HB TYR 100 1HB TYR 100 3.443 -0.501 -0.501 779 HD1 TYR 100 HD2 TYR 100 -0.059 0.362 0.362 780 HD2 TYR 100 HD1 TYR 100 2.631 0.021 0.021 781 HE1 TYR 100 HE2 TYR 100 -1.894 0.983 0.983 782 HE2 TYR 100 HE1 TYR 100 0.795 0.639 0.639 783 HH TYR 100 HH TYR 100 -1.632 2.131 2.131 784 HA PRO 101 HA PRO 101 0.655 4.109 4.109 785 1HB PRO 101 2HB PRO 101 -1.812 3.053 3.053 786 2HB PRO 101 1HB PRO 101 -0.475 3.300 3.300 787 1HG PRO 101 2HG PRO 101 -1.363 0.766 0.766 788 2HG PRO 101 1HG PRO 101 -0.720 0.993 0.993 789 1HD PRO 101 2HD PRO 101 0.806 0.008 0.008 790 2HD PRO 101 1HD PRO 101 1.498 0.956 0.956 791 H VAL 102 H VAL 102 0.742 4.663 4.663 792 HA VAL 102 HA VAL 102 -1.145 3.425 3.425 793 HB VAL 102 HB VAL 102 1.081 5.465 5.465 794 1HG1 VAL 102 2HG1 VAL 102 -0.785 4.403 4.403 795 2HG1 VAL 102 1HG1 VAL 102 0.742 5.219 5.219 796 3HG1 VAL 102 3HG1 VAL 102 -0.559 6.087 6.087 797 1HG2 VAL 102 1HG2 VAL 102 1.235 2.762 2.762 798 2HG2 VAL 102 3HG2 VAL 102 2.376 3.736 3.736 799 3HG2 VAL 102 2HG2 VAL 102 1.041 2.940 2.940 800 H HIS 103 H HIS 103 -1.243 6.093 6.093 801 HA HIS 103 HA HIS 103 -3.519 7.161 7.161 802 1HB HIS 103 2HB HIS 103 -2.060 9.390 9.390 803 2HB HIS 103 1HB HIS 103 -2.549 9.128 9.128 804 HD1 HIS 103 HD1 HIS 103 -0.567 9.083 9.083 805 HD2 HIS 103 HD2 HIS 103 0.391 7.517 7.517 806 HE1 HIS 103 HE1 HIS 103 1.874 8.362 8.362 807 H PHE 104 H PHE 104 -5.229 6.979 6.979 808 HA PHE 104 HA PHE 104 -4.919 7.640 7.640 809 1HB PHE 104 2HB PHE 104 -6.987 6.026 6.026 810 2HB PHE 104 1HB PHE 104 -7.403 6.758 6.758 811 HD1 PHE 104 HD2 PHE 104 -3.929 6.013 6.013 812 HD2 PHE 104 HD1 PHE 104 -7.791 4.101 4.101 813 HE1 PHE 104 HE2 PHE 104 -2.959 4.117 4.117 814 HE2 PHE 104 HE1 PHE 104 -6.794 2.180 2.180 815 HZ PHE 104 HZ PHE 104 -4.395 2.216 2.216 816 H ALA 105 H ALA 105 -5.278 9.828 9.828 817 HA ALA 105 HA ALA 105 -7.433 11.095 11.095 818 1HB ALA 105 1HB ALA 105 -4.913 11.581 11.581 819 2HB ALA 105 3HB ALA 105 -5.027 12.652 12.652 820 3HB ALA 105 2HB ALA 105 -6.080 12.904 12.904 821 H GLY 106 H GLY 106 -6.853 10.335 10.335 822 1HA GLY 106 2HA GLY 106 -8.552 12.569 12.569 823 2HA GLY 106 1HA GLY 106 -6.975 12.442 12.442 824 H ILE 107 H ILE 107 -9.404 12.168 12.168 825 HA ILE 107 HA ILE 107 -9.563 9.249 9.249 826 HB ILE 107 HB ILE 107 -11.415 11.481 11.481 827 1HG1 ILE 107 2HG1 ILE 107 -12.027 9.399 9.399 828 2HG1 ILE 107 1HG1 ILE 107 -11.252 10.921 10.921 829 1HG2 ILE 107 1HG2 ILE 107 -11.317 8.512 8.512 830 2HG2 ILE 107 3HG2 ILE 107 -12.896 9.274 9.274 831 3HG2 ILE 107 2HG2 ILE 107 -11.832 9.764 9.764 832 1HD1 ILE 107 2HD1 ILE 107 -13.186 12.000 12.000 833 2HD1 ILE 107 1HD1 ILE 107 -13.995 10.456 10.456 834 3HD1 ILE 107 3HD1 ILE 107 -13.517 11.452 11.452 835 H GLY 108 H GLY 108 -7.373 11.093 11.093 836 1HA GLY 108 2HA GLY 108 -6.279 10.362 10.362 837 2HA GLY 108 1HA GLY 108 -7.719 11.061 11.061 838 H ARG 109 H ARG 109 -8.168 13.411 13.411 839 HA ARG 109 HA ARG 109 -6.035 15.106 15.106 840 1HB ARG 109 2HB ARG 109 -8.702 15.473 15.473 841 2HB ARG 109 1HB ARG 109 -8.012 16.298 16.298 842 1HG ARG 109 2HG ARG 109 -6.624 17.683 17.683 843 2HG ARG 109 1HG ARG 109 -7.158 16.795 16.795 844 1HD ARG 109 2HD ARG 109 -9.426 17.589 17.589 845 2HD ARG 109 1HD ARG 109 -9.030 18.322 18.322 846 HE ARG 109 HE ARG 109 -8.605 19.546 19.546 847 1HH1 ARG 109 2HH1 ARG 109 -5.974 19.884 19.884 848 2HH1 ARG 109 1HH1 ARG 109 -5.562 20.963 20.963 849 1HH2 ARG 109 1HH2 ARG 109 -8.586 20.576 20.576 850 2HH2 ARG 109 2HH2 ARG 109 -7.039 21.353 21.353 851 H CYS 110 H CYS 110 -4.824 16.669 16.669 852 HA CYS 110 HA CYS 110 -4.676 16.598 16.598 853 1HB CYS 110 2HB CYS 110 -3.347 14.441 14.441 854 2HB CYS 110 1HB CYS 110 -2.140 15.443 15.443 855 HA PRO 111 HA PRO 111 -2.065 20.084 20.084 856 1HB PRO 111 2HB PRO 111 -0.364 20.217 20.217 857 2HB PRO 111 1HB PRO 111 -2.069 20.688 20.688 858 1HG PRO 111 2HG PRO 111 -0.746 18.235 18.235 859 2HG PRO 111 1HG PRO 111 -2.199 19.065 19.065 860 1HD PRO 111 1HD PRO 111 -2.167 16.707 16.707 861 2HD PRO 111 2HD PRO 111 -3.572 17.762 17.762 Start of MODEL 6 1 HN PCA 1 HN PCA 1 -2.931 5.282 5.282 2 HA PCA 1 HA PCA 1 -4.754 4.255 4.255 3 1HB PCA 1 1HB PCA 1 -4.559 4.713 4.713 4 2HB PCA 1 2HB PCA 1 -2.974 3.917 3.917 5 1HG PCA 1 1HG PCA 1 -3.585 6.743 6.743 6 2HG PCA 1 2HG PCA 1 -2.007 5.960 5.960 7 H ASN 2 H ASN 2 -3.966 2.119 2.119 8 HA ASN 2 HA ASN 2 -1.728 0.649 0.649 9 1HB ASN 2 2HB ASN 2 -3.192 0.494 0.494 10 2HB ASN 2 1HB ASN 2 -4.520 -0.066 -0.066 11 1HD2 ASN 2 2HD2 ASN 2 -3.544 -3.397 -3.397 12 2HD2 ASN 2 1HD2 ASN 2 -4.799 -2.256 -2.256 13 H TRP 3 H TRP 3 -1.606 -1.525 -1.525 14 HA TRP 3 HA TRP 3 -2.404 -1.528 -1.528 15 1HB TRP 3 2HB TRP 3 -0.571 -2.937 -2.937 16 2HB TRP 3 1HB TRP 3 -1.630 -4.162 -4.162 17 HD1 TRP 3 HD1 TRP 3 1.507 -2.865 -2.865 18 HE1 TRP 3 HE1 TRP 3 2.270 -3.004 -3.004 19 HE3 TRP 3 HE3 TRP 3 -3.029 -3.386 -3.386 20 HZ2 TRP 3 HZ2 TRP 3 1.153 -3.309 -3.309 21 HZ3 TRP 3 HZ3 TRP 3 -3.121 -3.619 -3.619 22 HH2 TRP 3 HH2 TRP 3 -1.035 -3.586 -3.586 23 H ALA 4 H ALA 4 -3.848 -2.963 -2.963 24 HA ALA 4 HA ALA 4 -5.507 -4.899 -4.899 25 1HB ALA 4 3HB ALA 4 -5.482 -3.868 -3.868 26 2HB ALA 4 2HB ALA 4 -6.717 -4.987 -4.987 27 3HB ALA 4 1HB ALA 4 -5.018 -5.463 -5.463 28 H THR 5 H THR 5 -6.414 -1.989 -1.989 29 HA THR 5 HA THR 5 -9.086 -1.823 -1.823 30 HB THR 5 HB THR 5 -7.331 0.481 0.481 31 HG1 THR 5 HG1 THR 5 -9.076 -1.179 -1.179 32 1HG2 THR 5 3HG2 THR 5 -9.444 1.096 1.096 33 2HG2 THR 5 2HG2 THR 5 -10.334 0.087 0.087 34 3HG2 THR 5 1HG2 THR 5 -9.471 1.517 1.517 35 H PHE 6 H PHE 6 -5.983 -0.793 -0.793 36 HA PHE 6 HA PHE 6 -7.110 0.779 0.779 37 1HB PHE 6 2HB PHE 6 -4.902 1.295 1.295 38 2HB PHE 6 1HB PHE 6 -4.311 -0.216 -0.216 39 HD1 PHE 6 HD2 PHE 6 -4.458 -0.568 -0.568 40 HD2 PHE 6 HD1 PHE 6 -5.031 3.301 3.301 41 HE1 PHE 6 HE2 PHE 6 -4.051 0.513 0.513 42 HE2 PHE 6 HE1 PHE 6 -4.622 4.390 4.390 43 HZ PHE 6 HZ PHE 6 -4.139 2.987 2.987 44 H GLN 7 H GLN 7 -6.229 -2.570 -2.570 45 HA GLN 7 HA GLN 7 -5.833 -3.380 -3.380 46 1HB GLN 7 2HB GLN 7 -6.129 -5.620 -5.620 47 2HB GLN 7 1HB GLN 7 -5.505 -4.847 -4.847 48 1HG GLN 7 2HG GLN 7 -7.282 -5.643 -5.643 49 2HG GLN 7 1HG GLN 7 -8.318 -4.597 -4.597 50 1HE2 GLN 7 2HE2 GLN 7 -8.619 -7.466 -7.466 51 2HE2 GLN 7 1HE2 GLN 7 -7.873 -5.945 -5.945 52 H GLN 8 H GLN 8 -8.647 -2.529 -2.529 53 HA GLN 8 HA GLN 8 -10.560 -3.386 -3.386 54 1HB GLN 8 2HB GLN 8 -10.707 -2.053 -2.053 55 2HB GLN 8 1HB GLN 8 -12.048 -1.821 -1.821 56 1HG GLN 8 2HG GLN 8 -12.822 -3.778 -3.778 57 2HG GLN 8 1HG GLN 8 -11.638 -4.522 -4.522 58 1HE2 GLN 8 1HE2 GLN 8 -10.520 -6.102 -6.102 59 2HE2 GLN 8 2HE2 GLN 8 -9.973 -5.949 -5.949 60 H LYS 9 H LYS 9 -8.965 -0.460 -0.460 61 HA LYS 9 HA LYS 9 -10.269 1.597 1.597 62 1HB LYS 9 2HB LYS 9 -8.394 1.945 1.945 63 2HB LYS 9 1HB LYS 9 -7.260 1.324 1.324 64 1HG LYS 9 2HG LYS 9 -7.127 3.658 3.658 65 2HG LYS 9 1HG LYS 9 -8.229 3.171 3.171 66 1HD LYS 9 2HD LYS 9 -10.032 3.528 3.528 67 2HD LYS 9 1HD LYS 9 -8.802 4.668 4.668 68 1HE LYS 9 2HE LYS 9 -9.777 6.120 6.120 69 2HE LYS 9 1HE LYS 9 -8.932 5.212 5.212 70 1HZ LYS 9 2HZ LYS 9 -10.958 3.684 3.684 71 2HZ LYS 9 1HZ LYS 9 -11.735 4.954 4.954 72 3HZ LYS 9 3HZ LYS 9 -11.138 5.200 5.200 73 H HIS 10 H HIS 10 -7.673 -0.457 -0.457 74 HA HIS 10 HA HIS 10 -8.232 0.610 0.610 75 1HB HIS 10 2HB HIS 10 -5.803 -0.343 -0.343 76 2HB HIS 10 1HB HIS 10 -6.059 -1.159 -1.159 77 HD1 HIS 10 HD1 HIS 10 -7.286 1.038 1.038 78 HD2 HIS 10 HD2 HIS 10 -4.022 1.659 1.659 79 HE1 HIS 10 HE1 HIS 10 -6.067 3.054 3.054 80 H ILE 11 H ILE 11 -8.805 -2.299 -2.299 81 HA ILE 11 HA ILE 11 -9.631 -3.566 -3.566 82 HB ILE 11 HB ILE 11 -8.071 -5.037 -5.037 83 1HG1 ILE 11 2HG1 ILE 11 -6.401 -4.973 -4.973 84 2HG1 ILE 11 1HG1 ILE 11 -7.214 -3.444 -3.444 85 1HG2 ILE 11 1HG2 ILE 11 -9.576 -5.844 -5.844 86 2HG2 ILE 11 3HG2 ILE 11 -7.878 -6.284 -6.284 87 3HG2 ILE 11 2HG2 ILE 11 -8.792 -6.849 -6.849 88 1HD1 ILE 11 3HD1 ILE 11 -6.017 -4.215 -4.215 89 2HD1 ILE 11 2HD1 ILE 11 -5.147 -3.280 -3.280 90 3HD1 ILE 11 1HD1 ILE 11 -6.609 -2.627 -2.627 91 H ILE 12 H ILE 12 -11.873 -3.007 -3.007 92 HA ILE 12 HA ILE 12 -12.831 -5.154 -5.154 93 HB ILE 12 HB ILE 12 -15.047 -3.989 -3.989 94 1HG1 ILE 12 2HG1 ILE 12 -14.062 -1.432 -1.432 95 2HG1 ILE 12 1HG1 ILE 12 -13.790 -2.662 -2.662 96 1HG2 ILE 12 2HG2 ILE 12 -13.356 -3.506 -3.506 97 2HG2 ILE 12 1HG2 ILE 12 -12.839 -2.109 -2.109 98 3HG2 ILE 12 3HG2 ILE 12 -14.481 -2.184 -2.184 99 1HD1 ILE 12 3HD1 ILE 12 -16.203 -3.382 -3.382 100 2HD1 ILE 12 2HD1 ILE 12 -16.408 -1.920 -1.920 101 3HD1 ILE 12 1HD1 ILE 12 -15.987 -1.796 -1.796 102 H ASN 13 H ASN 13 -11.872 -6.311 -6.311 103 HA ASN 13 HA ASN 13 -13.198 -6.273 -6.273 104 1HB ASN 13 2HB ASN 13 -11.875 -8.398 -8.398 105 2HB ASN 13 1HB ASN 13 -10.933 -6.974 -6.974 106 1HD2 ASN 13 2HD2 ASN 13 -9.388 -9.131 -9.131 107 2HD2 ASN 13 1HD2 ASN 13 -9.198 -8.315 -8.315 108 H THR 14 H THR 14 -15.447 -6.538 -6.538 109 HA THR 14 HA THR 14 -16.152 -9.418 -9.418 110 HB THR 14 HB THR 14 -18.293 -8.568 -8.568 111 HG1 THR 14 HG1 THR 14 -18.514 -6.495 -6.495 112 1HG2 THR 14 2HG2 THR 14 -16.248 -9.408 -9.408 113 2HG2 THR 14 1HG2 THR 14 -15.811 -7.716 -7.716 114 3HG2 THR 14 3HG2 THR 14 -17.319 -8.342 -8.342 115 HA PRO 15 HA PRO 15 -17.854 -8.407 -8.407 116 1HB PRO 15 2HB PRO 15 -18.951 -10.862 -10.862 117 2HB PRO 15 1HB PRO 15 -17.238 -10.462 -10.462 118 1HG PRO 15 2HG PRO 15 -18.538 -12.088 -12.088 119 2HG PRO 15 1HG PRO 15 -16.902 -12.211 -12.211 120 1HD PRO 15 2HD PRO 15 -17.553 -11.033 -11.033 121 2HD PRO 15 1HD PRO 15 -16.038 -10.769 -10.769 122 H ILE 16 H ILE 16 -19.616 -9.033 -9.033 123 HA ILE 16 HA ILE 16 -22.285 -9.336 -9.336 124 HB ILE 16 HB ILE 16 -21.653 -9.717 -9.717 125 1HG1 ILE 16 2HG1 ILE 16 -23.555 -7.392 -7.392 126 2HG1 ILE 16 1HG1 ILE 16 -24.005 -8.867 -8.867 127 1HG2 ILE 16 1HG2 ILE 16 -20.009 -7.886 -7.886 128 2HG2 ILE 16 3HG2 ILE 16 -21.313 -6.704 -6.704 129 3HG2 ILE 16 2HG2 ILE 16 -21.218 -7.792 -7.792 130 1HD1 ILE 16 3HD1 ILE 16 -23.475 -10.161 -10.161 131 2HD1 ILE 16 2HD1 ILE 16 -23.226 -8.625 -8.625 132 3HD1 ILE 16 1HD1 ILE 16 -24.819 -9.035 -9.035 133 H ILE 17 H ILE 17 -23.959 -7.610 -7.610 134 HA ILE 17 HA ILE 17 -22.808 -4.993 -4.993 135 HB ILE 17 HB ILE 17 -24.078 -6.233 -6.233 136 1HG1 ILE 17 2HG1 ILE 17 -26.010 -4.079 -4.079 137 2HG1 ILE 17 1HG1 ILE 17 -24.318 -3.584 -3.584 138 1HG2 ILE 17 2HG2 ILE 17 -26.333 -6.048 -6.048 139 2HG2 ILE 17 1HG2 ILE 17 -26.550 -6.520 -6.520 140 3HG2 ILE 17 3HG2 ILE 17 -25.578 -7.521 -7.521 141 1HD1 ILE 17 3HD1 ILE 17 -25.467 -5.243 -5.243 142 2HD1 ILE 17 2HD1 ILE 17 -25.644 -3.489 -3.489 143 3HD1 ILE 17 1HD1 ILE 17 -24.037 -4.213 -4.213 144 H ASN 18 H ASN 18 -23.103 -5.576 -5.576 145 HA ASN 18 HA ASN 18 -25.267 -3.644 -3.644 146 1HB ASN 18 2HB ASN 18 -24.349 -6.038 -6.038 147 2HB ASN 18 1HB ASN 18 -25.694 -4.953 -4.953 148 1HD2 ASN 18 2HD2 ASN 18 -27.915 -7.024 -7.024 149 2HD2 ASN 18 1HD2 ASN 18 -27.626 -6.026 -6.026 150 H CYS 19 H CYS 19 -23.964 -1.847 -1.847 151 HA CYS 19 HA CYS 19 -21.309 -2.028 -2.028 152 1HB CYS 19 2HB CYS 19 -22.970 0.496 0.496 153 2HB CYS 19 1HB CYS 19 -21.232 0.384 0.384 154 H ASN 20 H ASN 20 -24.505 -1.795 -1.795 155 HA ASN 20 HA ASN 20 -23.603 -0.525 -0.525 156 1HB ASN 20 2HB ASN 20 -25.948 -1.268 -1.268 157 2HB ASN 20 1HB ASN 20 -25.864 -0.043 -0.043 158 1HD2 ASN 20 2HD2 ASN 20 -27.570 -3.650 -3.650 159 2HD2 ASN 20 1HD2 ASN 20 -26.879 -3.321 -3.321 160 H THR 21 H THR 21 -24.837 -3.767 -3.767 161 HA THR 21 HA THR 21 -24.351 -5.004 -5.004 162 HB THR 21 HB THR 21 -23.956 -7.088 -7.088 163 HG1 THR 21 HG1 THR 21 -23.986 -5.533 -5.533 164 1HG2 THR 21 1HG2 THR 21 -26.284 -5.739 -5.739 165 2HG2 THR 21 3HG2 THR 21 -26.676 -6.773 -6.773 166 3HG2 THR 21 2HG2 THR 21 -25.834 -7.444 -7.444 167 H ILE 22 H ILE 22 -22.131 -4.283 -4.283 168 HA ILE 22 HA ILE 22 -19.988 -5.928 -5.928 169 HB ILE 22 HB ILE 22 -18.593 -5.003 -5.003 170 1HG1 ILE 22 2HG1 ILE 22 -20.996 -3.304 -3.304 171 2HG1 ILE 22 1HG1 ILE 22 -19.577 -2.678 -2.678 172 1HG2 ILE 22 3HG2 ILE 22 -21.388 -5.907 -5.907 173 2HG2 ILE 22 2HG2 ILE 22 -20.184 -5.612 -5.612 174 3HG2 ILE 22 1HG2 ILE 22 -19.892 -6.841 -6.841 175 1HD1 ILE 22 1HD1 ILE 22 -18.205 -3.686 -3.686 176 2HD1 ILE 22 3HD1 ILE 22 -19.740 -3.822 -3.822 177 3HD1 ILE 22 2HD1 ILE 22 -19.146 -2.239 -2.239 178 H MET 23 H MET 23 -20.865 -2.478 -2.478 179 HA MET 23 HA MET 23 -18.447 -1.859 -1.859 180 1HB MET 23 2HB MET 23 -18.988 0.461 0.461 181 2HB MET 23 1HB MET 23 -19.225 -0.315 -0.315 182 1HG MET 23 2HG MET 23 -21.708 -0.552 -0.552 183 2HG MET 23 1HG MET 23 -21.305 0.659 0.659 184 1HE MET 23 2HE MET 23 -22.609 2.331 2.331 185 2HE MET 23 1HE MET 23 -22.644 3.422 3.422 186 3HE MET 23 3HE MET 23 -23.531 1.892 1.892 187 H ASP 24 H ASP 24 -21.204 -3.299 -3.299 188 HA ASP 24 HA ASP 24 -22.258 -1.742 -1.742 189 1HB ASP 24 2HB ASP 24 -22.285 -4.673 -4.673 190 2HB ASP 24 1HB ASP 24 -22.936 -4.149 -4.149 191 H ASN 25 H ASN 25 -20.467 -0.935 -0.935 192 HA ASN 25 HA ASN 25 -19.295 -2.641 -2.641 193 1HB ASN 25 2HB ASN 25 -18.002 -3.184 -3.184 194 2HB ASN 25 1HB ASN 25 -17.395 -1.550 -1.550 195 1HD2 ASN 25 2HD2 ASN 25 -14.838 -3.594 -3.594 196 2HD2 ASN 25 1HD2 ASN 25 -15.433 -3.391 -3.391 197 H ASN 26 H ASN 26 -18.220 -1.351 -1.351 198 HA ASN 26 HA ASN 26 -18.966 1.431 1.431 199 1HB ASN 26 2HB ASN 26 -17.030 -0.298 -0.298 200 2HB ASN 26 1HB ASN 26 -17.169 1.430 1.430 201 1HD2 ASN 26 2HD2 ASN 26 -20.644 1.099 1.099 202 2HD2 ASN 26 1HD2 ASN 26 -19.707 2.102 2.102 203 H ILE 27 H ILE 27 -16.411 -0.099 -0.099 204 HA ILE 27 HA ILE 27 -14.571 2.188 2.188 205 HB ILE 27 HB ILE 27 -14.439 -0.116 -0.116 206 1HG1 ILE 27 2HG1 ILE 27 -13.283 -0.066 -0.066 207 2HG1 ILE 27 1HG1 ILE 27 -14.723 -0.975 -0.975 208 1HG2 ILE 27 2HG2 ILE 27 -12.891 2.143 2.143 209 2HG2 ILE 27 1HG2 ILE 27 -12.008 0.975 0.975 210 3HG2 ILE 27 3HG2 ILE 27 -12.336 0.631 0.631 211 1HD1 ILE 27 3HD1 ILE 27 -13.118 -1.900 -1.900 212 2HD1 ILE 27 2HD1 ILE 27 -11.867 -1.455 -1.455 213 3HD1 ILE 27 1HD1 ILE 27 -13.117 -2.614 -2.614 214 H TYR 28 H TYR 28 -17.490 2.075 2.075 215 HA TYR 28 HA TYR 28 -16.660 3.820 3.820 216 1HB TYR 28 2HB TYR 28 -18.295 1.290 1.290 217 2HB TYR 28 1HB TYR 28 -18.366 2.589 2.589 218 HD1 TYR 28 HD2 TYR 28 -15.998 3.516 3.516 219 HD2 TYR 28 HD1 TYR 28 -16.703 -0.386 -0.386 220 HE1 TYR 28 HE2 TYR 28 -13.905 2.700 2.700 221 HE2 TYR 28 HE1 TYR 28 -14.599 -1.198 -1.198 222 HH TYR 28 HH TYR 28 -13.055 0.263 0.263 223 H ILE 29 H ILE 29 -17.701 5.182 5.182 224 HA ILE 29 HA ILE 29 -20.520 5.745 5.745 225 HB ILE 29 HB ILE 29 -19.744 5.286 5.286 226 1HG1 ILE 29 2HG1 ILE 29 -21.464 3.591 3.591 227 2HG1 ILE 29 1HG1 ILE 29 -19.842 3.164 3.164 228 1HG2 ILE 29 2HG2 ILE 29 -22.150 6.329 6.329 229 2HG2 ILE 29 1HG2 ILE 29 -22.440 5.275 5.275 230 3HG2 ILE 29 3HG2 ILE 29 -21.515 6.763 6.763 231 1HD1 ILE 29 1HD1 ILE 29 -21.546 3.875 3.875 232 2HD1 ILE 29 3HD1 ILE 29 -22.243 2.558 2.558 233 3HD1 ILE 29 2HD1 ILE 29 -20.619 2.401 2.401 234 H VAL 30 H VAL 30 -21.212 7.808 7.808 235 HA VAL 30 HA VAL 30 -19.032 9.789 9.789 236 HB VAL 30 HB VAL 30 -21.816 10.229 10.229 237 1HG1 VAL 30 2HG1 VAL 30 -19.394 11.991 11.991 238 2HG1 VAL 30 1HG1 VAL 30 -20.620 12.365 12.365 239 3HG1 VAL 30 3HG1 VAL 30 -21.062 12.291 12.291 240 1HG2 VAL 30 3HG2 VAL 30 -19.104 9.762 9.762 241 2HG2 VAL 30 2HG2 VAL 30 -20.619 8.924 8.924 242 3HG2 VAL 30 1HG2 VAL 30 -20.400 10.591 10.591 243 H GLY 31 H GLY 31 -19.890 11.738 11.738 244 1HA GLY 31 2HA GLY 31 -21.282 10.628 10.628 245 2HA GLY 31 1HA GLY 31 -20.438 12.176 12.176 246 H GLY 32 H GLY 32 -23.067 10.716 10.716 247 1HA GLY 32 2HA GLY 32 -25.054 12.625 12.625 248 2HA GLY 32 1HA GLY 32 -24.525 12.936 12.936 249 H GLN 33 H GLN 33 -24.294 10.585 10.585 250 HA GLN 33 HA GLN 33 -26.351 8.627 8.627 251 1HB GLN 33 2HB GLN 33 -27.364 10.899 10.899 252 2HB GLN 33 1HB GLN 33 -27.064 9.874 9.874 253 1HG GLN 33 2HG GLN 33 -28.353 8.599 8.599 254 2HG GLN 33 1HG GLN 33 -29.336 9.714 9.714 255 1HE2 GLN 33 2HE2 GLN 33 -29.811 7.392 7.392 256 2HE2 GLN 33 1HE2 GLN 33 -30.299 8.832 8.832 257 H CYS 34 H CYS 34 -25.165 9.968 9.968 258 HA CYS 34 HA CYS 34 -23.512 7.534 7.534 259 1HB CYS 34 2HB CYS 34 -25.749 8.560 8.560 260 2HB CYS 34 1HB CYS 34 -24.430 7.601 7.601 261 H LYS 35 H LYS 35 -22.419 7.999 7.999 262 HA LYS 35 HA LYS 35 -21.295 10.764 10.764 263 1HB LYS 35 2HB LYS 35 -19.932 8.372 8.372 264 2HB LYS 35 1HB LYS 35 -19.816 8.798 8.798 265 1HG LYS 35 2HG LYS 35 -19.316 11.211 11.211 266 2HG LYS 35 1HG LYS 35 -18.491 10.010 10.010 267 1HD LYS 35 2HD LYS 35 -17.465 9.106 9.106 268 2HD LYS 35 1HD LYS 35 -18.105 10.533 10.533 269 1HE LYS 35 2HE LYS 35 -15.770 10.900 10.900 270 2HE LYS 35 1HE LYS 35 -16.865 11.987 11.987 271 1HZ LYS 35 2HZ LYS 35 -16.202 9.381 9.381 272 2HZ LYS 35 1HZ LYS 35 -15.088 10.658 10.658 273 3HZ LYS 35 3HZ LYS 35 -16.647 10.833 10.833 274 H ARG 36 H ARG 36 -20.631 11.702 11.702 275 HA ARG 36 HA ARG 36 -22.847 11.453 11.453 276 1HB ARG 36 2HB ARG 36 -21.723 13.634 13.634 277 2HB ARG 36 1HB ARG 36 -20.315 13.096 13.096 278 1HG ARG 36 2HG ARG 36 -21.626 14.439 14.439 279 2HG ARG 36 1HG ARG 36 -21.874 12.762 12.762 280 1HD ARG 36 2HD ARG 36 -24.003 12.668 12.668 281 2HD ARG 36 1HD ARG 36 -23.729 14.224 14.224 282 HE ARG 36 HE ARG 36 -24.121 15.319 15.319 283 1HH1 ARG 36 1HH2 ARG 36 -23.314 14.127 14.127 284 2HH1 ARG 36 2HH2 ARG 36 -24.581 13.087 13.087 285 1HH2 ARG 36 2HH1 ARG 36 -26.238 13.030 13.030 286 2HH2 ARG 36 1HH1 ARG 36 -26.239 12.465 12.465 287 H VAL 37 H VAL 37 -19.641 10.113 10.113 288 HA VAL 37 HA VAL 37 -20.058 8.562 8.562 289 HB VAL 37 HB VAL 37 -19.132 10.724 10.724 290 1HG1 VAL 37 1HG1 VAL 37 -17.661 11.101 11.101 291 2HG1 VAL 37 3HG1 VAL 37 -16.534 9.965 9.965 292 3HG1 VAL 37 2HG1 VAL 37 -16.944 11.468 11.468 293 1HG2 VAL 37 1HG2 VAL 37 -17.756 8.082 8.082 294 2HG2 VAL 37 3HG2 VAL 37 -18.647 9.006 9.006 295 3HG2 VAL 37 2HG2 VAL 37 -17.007 9.480 9.480 296 H ASN 38 H ASN 38 -19.515 6.615 6.615 297 HA ASN 38 HA ASN 38 -17.205 6.176 6.176 298 1HB ASN 38 2HB ASN 38 -19.387 4.188 4.188 299 2HB ASN 38 1HB ASN 38 -18.148 3.963 3.963 300 1HD2 ASN 38 2HD2 ASN 38 -19.828 6.800 6.800 301 2HD2 ASN 38 1HD2 ASN 38 -18.345 6.713 6.713 302 H THR 39 H THR 39 -15.704 6.532 6.532 303 HA THR 39 HA THR 39 -15.799 4.961 4.961 304 HB THR 39 HB THR 39 -13.520 6.638 6.638 305 HG1 THR 39 HG1 THR 39 -15.749 7.299 7.299 306 1HG2 THR 39 3HG2 THR 39 -12.961 5.088 5.088 307 2HG2 THR 39 2HG2 THR 39 -14.245 5.820 5.820 308 3HG2 THR 39 1HG2 THR 39 -12.847 6.781 6.781 309 H PHE 40 H PHE 40 -15.240 2.901 2.901 310 HA PHE 40 HA PHE 40 -13.171 1.817 1.817 311 1HB PHE 40 2HB PHE 40 -15.292 0.419 0.419 312 2HB PHE 40 1HB PHE 40 -14.220 -0.360 -0.360 313 HD1 PHE 40 HD1 PHE 40 -14.166 1.233 1.233 314 HD2 PHE 40 HD2 PHE 40 -17.464 0.554 0.554 315 HE1 PHE 40 HE1 PHE 40 -15.757 1.752 1.752 316 HE2 PHE 40 HE2 PHE 40 -19.053 1.074 1.074 317 HZ PHE 40 HZ PHE 40 -18.199 1.672 1.672 318 H ILE 41 H ILE 41 -11.681 0.083 0.083 319 HA ILE 41 HA ILE 41 -11.281 0.731 0.731 320 HB ILE 41 HB ILE 41 -9.085 0.177 0.177 321 1HG1 ILE 41 2HG1 ILE 41 -10.169 2.350 2.350 322 2HG1 ILE 41 1HG1 ILE 41 -8.550 2.580 2.580 323 1HG2 ILE 41 3HG2 ILE 41 -9.206 0.690 0.690 324 2HG2 ILE 41 2HG2 ILE 41 -7.824 1.311 1.311 325 3HG2 ILE 41 1HG2 ILE 41 -8.173 -0.418 -0.418 326 1HD1 ILE 41 1HD1 ILE 41 -10.016 2.556 2.556 327 2HD1 ILE 41 3HD1 ILE 41 -11.178 3.264 3.264 328 3HD1 ILE 41 2HD1 ILE 41 -9.607 4.025 4.025 329 H ILE 42 H ILE 42 -11.439 -1.044 -1.044 330 HA ILE 42 HA ILE 42 -11.199 -3.727 -3.727 331 HB ILE 42 HB ILE 42 -13.375 -3.295 -3.295 332 1HG1 ILE 42 2HG1 ILE 42 -12.114 -5.230 -5.230 333 2HG1 ILE 42 1HG1 ILE 42 -11.909 -5.559 -5.559 334 1HG2 ILE 42 1HG2 ILE 42 -12.344 -1.745 -1.745 335 2HG2 ILE 42 3HG2 ILE 42 -11.910 -3.215 -3.215 336 3HG2 ILE 42 2HG2 ILE 42 -13.603 -2.847 -2.847 337 1HD1 ILE 42 3HD1 ILE 42 -14.650 -4.775 -4.775 338 2HD1 ILE 42 2HD1 ILE 42 -14.157 -6.169 -6.169 339 3HD1 ILE 42 1HD1 ILE 42 -14.051 -6.230 -6.230 340 H SER 43 H SER 43 -9.214 -4.515 -4.515 341 HA SER 43 HA SER 43 -8.034 -5.227 -5.227 342 1HB SER 43 2HB SER 43 -7.661 -2.794 -2.794 343 2HB SER 43 1HB SER 43 -6.833 -2.740 -2.740 344 HG SER 43 HG SER 43 -5.412 -2.937 -2.937 345 H SER 44 H SER 44 -5.909 -6.253 -6.253 346 HA SER 44 HA SER 44 -5.680 -7.711 -7.711 347 1HB SER 44 2HB SER 44 -3.117 -7.819 -7.819 348 2HB SER 44 1HB SER 44 -4.428 -8.801 -8.801 349 HG SER 44 HG SER 44 -4.262 -7.771 -7.771 350 H ALA 45 H ALA 45 -5.200 -7.065 -7.065 351 HA ALA 45 HA ALA 45 -4.590 -4.562 -4.562 352 1HB ALA 45 1HB ALA 45 -3.974 -7.286 -7.286 353 2HB ALA 45 3HB ALA 45 -3.540 -5.829 -5.829 354 3HB ALA 45 2HB ALA 45 -5.228 -6.150 -6.150 355 H THR 46 H THR 46 -2.041 -7.073 -7.073 356 HA THR 46 HA THR 46 0.089 -5.327 -5.327 357 HB THR 46 HB THR 46 0.353 -7.717 -7.717 358 HG1 THR 46 HG1 THR 46 2.042 -6.703 -6.703 359 1HG2 THR 46 1HG2 THR 46 -0.416 -7.534 -7.534 360 2HG2 THR 46 3HG2 THR 46 0.796 -8.748 -8.748 361 3HG2 THR 46 2HG2 THR 46 -0.787 -8.789 -8.789 362 H THR 47 H THR 47 -1.530 -5.752 -5.752 363 HA THR 47 HA THR 47 0.516 -4.682 -4.682 364 HB THR 47 HB THR 47 -2.424 -4.217 -4.217 365 HG1 THR 47 HG1 THR 47 -0.985 -6.631 -6.631 366 1HG2 THR 47 3HG2 THR 47 0.050 -4.738 -4.738 367 2HG2 THR 47 2HG2 THR 47 -1.571 -4.906 -4.906 368 3HG2 THR 47 1HG2 THR 47 -1.030 -3.344 -3.344 369 H VAL 48 H VAL 48 -1.993 -3.265 -3.265 370 HA VAL 48 HA VAL 48 -1.505 -0.506 -0.506 371 HB VAL 48 HB VAL 48 -2.643 -1.620 -1.620 372 1HG1 VAL 48 2HG1 VAL 48 -1.983 1.046 1.046 373 2HG1 VAL 48 1HG1 VAL 48 -3.740 0.912 0.912 374 3HG1 VAL 48 3HG1 VAL 48 -2.758 0.519 0.519 375 1HG2 VAL 48 1HG2 VAL 48 -3.827 -1.093 -1.093 376 2HG2 VAL 48 3HG2 VAL 48 -4.147 -2.416 -2.416 377 3HG2 VAL 48 2HG2 VAL 48 -4.819 -0.816 -0.816 378 H LYS 49 H LYS 49 -0.241 -2.784 -2.784 379 HA LYS 49 HA LYS 49 1.340 -0.983 -0.983 380 1HB LYS 49 2HB LYS 49 0.742 -3.414 -3.414 381 2HB LYS 49 1HB LYS 49 2.043 -3.872 -3.872 382 1HG LYS 49 2HG LYS 49 3.580 -2.380 -2.380 383 2HG LYS 49 1HG LYS 49 2.274 -2.214 -2.214 384 1HD LYS 49 2HD LYS 49 3.193 -4.064 -4.064 385 2HD LYS 49 1HD LYS 49 2.347 -4.934 -4.934 386 1HE LYS 49 2HE LYS 49 4.411 -4.618 -4.618 387 2HE LYS 49 1HE LYS 49 5.234 -4.016 -4.016 388 1HZ LYS 49 2HZ LYS 49 3.823 -6.604 -6.604 389 2HZ LYS 49 1HZ LYS 49 5.402 -6.497 -6.497 390 3HZ LYS 49 3HZ LYS 49 5.090 -6.059 -6.059 391 H ALA 50 H ALA 50 1.763 -2.303 -2.303 392 HA ALA 50 HA ALA 50 4.657 -1.882 -1.882 393 1HB ALA 50 3HB ALA 50 2.694 -3.209 -3.209 394 2HB ALA 50 2HB ALA 50 3.590 -2.070 -2.070 395 3HB ALA 50 1HB ALA 50 4.451 -3.307 -3.307 396 H ILE 51 H ILE 51 1.734 -0.140 -0.140 397 HA ILE 51 HA ILE 51 3.154 1.891 1.891 398 HB ILE 51 HB ILE 51 0.734 1.412 1.412 399 1HG1 ILE 51 2HG1 ILE 51 0.086 4.001 4.001 400 2HG1 ILE 51 1HG1 ILE 51 1.835 4.121 4.121 401 1HG2 ILE 51 2HG2 ILE 51 0.684 2.119 2.119 402 2HG2 ILE 51 1HG2 ILE 51 -0.567 2.911 2.911 403 3HG2 ILE 51 3HG2 ILE 51 -0.447 1.154 1.154 404 1HD1 ILE 51 3HD1 ILE 51 0.833 2.466 2.466 405 2HD1 ILE 51 2HD1 ILE 51 0.587 4.206 4.206 406 3HD1 ILE 51 1HD1 ILE 51 2.215 3.559 3.559 407 H CYS 52 H CYS 52 2.530 1.454 1.454 408 HA CYS 52 HA CYS 52 3.376 4.228 4.228 409 1HB CYS 52 2HB CYS 52 1.441 2.617 2.617 410 2HB CYS 52 1HB CYS 52 2.778 2.461 2.461 411 H THR 53 H THR 53 5.151 1.901 1.901 412 HA THR 53 HA THR 53 6.904 1.424 1.424 413 HB THR 53 HB THR 53 7.389 0.654 0.654 414 HG1 THR 53 HG1 THR 53 6.508 -1.381 -1.381 415 1HG2 THR 53 1HG2 THR 53 8.546 -0.130 -0.130 416 2HG2 THR 53 3HG2 THR 53 8.627 -1.234 -1.234 417 3HG2 THR 53 2HG2 THR 53 9.389 0.354 0.354 418 H GLY 54 H GLY 54 8.325 2.990 2.990 419 1HA GLY 54 2HA GLY 54 10.136 4.156 4.156 420 2HA GLY 54 1HA GLY 54 9.014 5.331 5.331 421 H VAL 55 H VAL 55 8.869 5.013 5.013 422 HA VAL 55 HA VAL 55 11.330 4.201 4.201 423 HB VAL 55 HB VAL 55 11.756 6.474 6.474 424 1HG1 VAL 55 1HG1 VAL 55 9.523 7.385 7.385 425 2HG1 VAL 55 3HG1 VAL 55 10.518 7.705 7.705 426 3HG1 VAL 55 2HG1 VAL 55 10.924 8.445 8.445 427 1HG2 VAL 55 2HG2 VAL 55 12.780 5.317 5.317 428 2HG2 VAL 55 1HG2 VAL 55 13.509 6.628 6.628 429 3HG2 VAL 55 3HG2 VAL 55 12.481 6.994 6.994 430 H ILE 56 H ILE 56 10.989 5.670 5.670 431 HA ILE 56 HA ILE 56 8.459 4.471 4.471 432 HB ILE 56 HB ILE 56 9.351 5.049 5.049 433 1HG1 ILE 56 2HG1 ILE 56 11.997 5.724 5.724 434 2HG1 ILE 56 1HG1 ILE 56 10.765 6.984 6.984 435 1HG2 ILE 56 3HG2 ILE 56 10.019 2.985 2.985 436 2HG2 ILE 56 2HG2 ILE 56 11.613 3.731 3.731 437 3HG2 ILE 56 1HG2 ILE 56 10.764 3.227 3.227 438 1HD1 ILE 56 1HD1 ILE 56 10.429 6.170 6.170 439 2HD1 ILE 56 3HD1 ILE 56 12.152 5.843 5.843 440 3HD1 ILE 56 2HD1 ILE 56 11.526 7.470 7.470 441 H ASN 57 H ASN 57 8.415 6.927 6.927 442 HA ASN 57 HA ASN 57 6.328 8.431 8.431 443 1HB ASN 57 2HB ASN 57 8.427 9.093 9.093 444 2HB ASN 57 1HB ASN 57 8.870 10.042 10.042 445 1HD2 ASN 57 2HD2 ASN 57 5.888 11.332 11.332 446 2HD2 ASN 57 1HD2 ASN 57 6.742 9.902 9.902 447 H MET 58 H MET 58 5.370 9.085 9.085 448 HA MET 58 HA MET 58 6.904 10.614 10.614 449 1HB MET 58 2HB MET 58 7.216 7.949 7.949 450 2HB MET 58 1HB MET 58 5.750 8.152 8.152 451 1HG MET 58 2HG MET 58 6.928 9.013 9.013 452 2HG MET 58 1HG MET 58 7.624 10.247 10.247 453 1HE MET 58 3HE MET 58 9.400 9.897 9.897 454 2HE MET 58 2HE MET 58 10.124 10.447 10.447 455 3HE MET 58 1HE MET 58 10.924 9.196 9.196 456 H ASN 59 H ASN 59 5.576 10.811 10.811 457 HA ASN 59 HA ASN 59 2.627 10.835 10.835 458 1HB ASN 59 2HB ASN 59 2.643 13.143 13.143 459 2HB ASN 59 1HB ASN 59 3.189 13.117 13.117 460 1HD2 ASN 59 2HD2 ASN 59 5.792 14.145 14.145 461 2HD2 ASN 59 1HD2 ASN 59 4.198 13.685 13.685 462 H VAL 60 H VAL 60 1.994 9.490 9.490 463 HA VAL 60 HA VAL 60 3.313 9.916 9.916 464 HB VAL 60 HB VAL 60 4.210 7.895 7.895 465 1HG1 VAL 60 3HG1 VAL 60 2.251 7.440 7.440 466 2HG1 VAL 60 2HG1 VAL 60 1.330 6.947 6.947 467 3HG1 VAL 60 1HG1 VAL 60 2.736 6.012 6.012 468 1HG2 VAL 60 2HG2 VAL 60 3.691 8.000 8.000 469 2HG2 VAL 60 1HG2 VAL 60 3.895 6.392 6.392 470 3HG2 VAL 60 3HG2 VAL 60 2.277 7.011 7.011 471 H LEU 61 H LEU 61 1.985 9.082 9.082 472 HA LEU 61 HA LEU 61 -0.937 9.384 9.384 473 1HB LEU 61 2HB LEU 61 0.376 11.168 11.168 474 2HB LEU 61 1HB LEU 61 0.310 9.954 9.954 475 HG LEU 61 HG LEU 61 -2.223 9.825 9.825 476 1HD1 LEU 61 2HD1 LEU 61 -1.571 11.478 11.478 477 2HD1 LEU 61 1HD1 LEU 61 -2.004 12.671 12.671 478 3HD1 LEU 61 3HD1 LEU 61 -3.173 11.445 11.445 479 1HD2 LEU 61 1HD2 LEU 61 -0.858 11.061 11.061 480 2HD2 LEU 61 3HD2 LEU 61 -2.605 11.251 11.251 481 3HD2 LEU 61 2HD2 LEU 61 -1.521 12.493 12.493 482 H SER 62 H SER 62 -1.948 7.441 7.441 483 HA SER 62 HA SER 62 -0.903 5.133 5.133 484 1HB SER 62 2HB SER 62 -3.854 5.669 5.669 485 2HB SER 62 1HB SER 62 -3.007 4.124 4.124 486 HG SER 62 HG SER 62 -3.149 6.179 6.179 487 H THR 63 H THR 63 -0.217 5.712 5.712 488 HA THR 63 HA THR 63 -2.046 7.008 7.008 489 HB THR 63 HB THR 63 -0.053 6.356 6.356 490 HG1 THR 63 HG1 THR 63 1.346 6.305 6.305 491 1HG2 THR 63 1HG2 THR 63 -0.700 8.588 8.588 492 2HG2 THR 63 3HG2 THR 63 0.934 8.260 8.260 493 3HG2 THR 63 2HG2 THR 63 0.639 8.499 8.499 494 H THR 64 H THR 64 -1.717 5.722 5.722 495 HA THR 64 HA THR 64 -2.518 3.958 3.958 496 HB THR 64 HB THR 64 -1.670 2.332 2.332 497 HG1 THR 64 HG1 THR 64 -0.378 2.919 2.919 498 1HG2 THR 64 3HG2 THR 64 -3.297 1.259 1.259 499 2HG2 THR 64 2HG2 THR 64 -1.993 1.367 1.367 500 3HG2 THR 64 1HG2 THR 64 -1.787 0.403 0.403 501 H ARG 65 H ARG 65 -3.609 2.037 2.037 502 HA ARG 65 HA ARG 65 -6.085 3.318 3.318 503 1HB ARG 65 2HB ARG 65 -7.643 1.962 1.962 504 2HB ARG 65 1HB ARG 65 -6.581 2.917 2.917 505 1HG ARG 65 2HG ARG 65 -5.097 0.686 0.686 506 2HG ARG 65 1HG ARG 65 -6.685 -0.031 -0.031 507 1HD ARG 65 2HD ARG 65 -7.461 1.226 1.226 508 2HD ARG 65 1HD ARG 65 -5.779 1.671 1.671 509 HE ARG 65 HE ARG 65 -5.805 -1.128 -1.128 510 1HH1 ARG 65 2HH1 ARG 65 -8.415 -1.064 -1.064 511 2HH1 ARG 65 1HH1 ARG 65 -7.971 -1.044 -1.044 512 1HH2 ARG 65 1HH2 ARG 65 -4.695 -0.090 -0.090 513 2HH2 ARG 65 2HH2 ARG 65 -5.865 -0.492 -0.492 514 H PHE 66 H PHE 66 -6.143 2.526 2.526 515 HA PHE 66 HA PHE 66 -5.718 -0.404 -0.404 516 1HB PHE 66 2HB PHE 66 -5.820 2.011 2.011 517 2HB PHE 66 1HB PHE 66 -5.948 0.373 0.373 518 HD1 PHE 66 HD2 PHE 66 -4.045 -1.226 -1.226 519 HD2 PHE 66 HD1 PHE 66 -3.725 2.844 2.844 520 HE1 PHE 66 HE2 PHE 66 -1.587 -1.465 -1.465 521 HE2 PHE 66 HE1 PHE 66 -1.268 2.587 2.587 522 HZ PHE 66 HZ PHE 66 -0.201 0.435 0.435 523 H GLN 67 H GLN 67 -8.022 0.230 0.230 524 HA GLN 67 HA GLN 67 -10.414 0.419 0.419 525 1HB GLN 67 2HB GLN 67 -9.502 -2.224 -2.224 526 2HB GLN 67 1HB GLN 67 -11.197 -1.902 -1.902 527 1HG GLN 67 2HG GLN 67 -9.792 -0.989 -0.989 528 2HG GLN 67 1HG GLN 67 -8.998 -2.501 -2.501 529 1HE2 GLN 67 2HE2 GLN 67 -12.258 -2.901 -2.901 530 2HE2 GLN 67 1HE2 GLN 67 -11.108 -1.658 -1.658 531 H LEU 68 H LEU 68 -11.493 1.873 1.873 532 HA LEU 68 HA LEU 68 -11.615 1.199 1.199 533 1HB LEU 68 2HB LEU 68 -12.828 3.492 3.492 534 2HB LEU 68 1HB LEU 68 -11.095 3.463 3.463 535 HG LEU 68 HG LEU 68 -11.370 3.938 3.938 536 1HD1 LEU 68 1HD1 LEU 68 -14.277 3.380 3.380 537 2HD1 LEU 68 3HD1 LEU 68 -13.812 4.400 4.400 538 3HD1 LEU 68 2HD1 LEU 68 -13.266 2.726 2.726 539 1HD2 LEU 68 2HD2 LEU 68 -11.653 5.793 5.793 540 2HD2 LEU 68 1HD2 LEU 68 -12.317 6.141 6.141 541 3HD2 LEU 68 3HD2 LEU 68 -13.386 5.662 5.662 542 H ASN 69 H ASN 69 -13.544 1.146 1.146 543 HA ASN 69 HA ASN 69 -16.029 0.585 0.585 544 1HB ASN 69 2HB ASN 69 -14.848 -1.342 -1.342 545 2HB ASN 69 1HB ASN 69 -15.612 -0.520 -0.520 546 1HD2 ASN 69 2HD2 ASN 69 -18.640 -2.164 -2.164 547 2HD2 ASN 69 1HD2 ASN 69 -17.509 -1.622 -1.622 548 H THR 70 H THR 70 -16.929 2.672 2.672 549 HA THR 70 HA THR 70 -16.873 3.963 3.963 550 HB THR 70 HB THR 70 -17.920 5.118 5.118 551 HG1 THR 70 HG1 THR 70 -15.334 5.259 5.259 552 1HG2 THR 70 2HG2 THR 70 -18.270 6.037 6.037 553 2HG2 THR 70 1HG2 THR 70 -16.677 6.720 6.720 554 3HG2 THR 70 3HG2 THR 70 -18.035 7.113 7.113 555 H CYS 71 H CYS 71 -18.500 3.864 3.864 556 HA CYS 71 HA CYS 71 -21.280 3.363 3.363 557 1HB CYS 71 2HB CYS 71 -20.154 2.896 2.896 558 2HB CYS 71 1HB CYS 71 -21.804 2.558 2.558 559 H THR 72 H THR 72 -22.147 5.399 5.399 560 HA THR 72 HA THR 72 -21.300 7.479 7.479 561 HB THR 72 HB THR 72 -22.865 8.004 8.004 562 HG1 THR 72 HG1 THR 72 -20.083 7.599 7.599 563 1HG2 THR 72 3HG2 THR 72 -21.027 9.592 9.592 564 2HG2 THR 72 2HG2 THR 72 -21.443 10.131 10.131 565 3HG2 THR 72 1HG2 THR 72 -22.709 9.929 9.929 566 H ARG 73 H ARG 73 -22.761 8.651 8.651 567 HA ARG 73 HA ARG 73 -25.301 7.424 7.424 568 1HB ARG 73 2HB ARG 73 -23.741 8.831 8.831 569 2HB ARG 73 1HB ARG 73 -24.533 10.225 10.225 570 1HG ARG 73 2HG ARG 73 -26.644 8.498 8.498 571 2HG ARG 73 1HG ARG 73 -25.538 8.389 8.389 572 1HD ARG 73 2HD ARG 73 -25.468 10.966 10.966 573 2HD ARG 73 1HD ARG 73 -26.887 10.848 10.848 574 HE ARG 73 HE ARG 73 -27.527 9.277 9.277 575 1HH1 ARG 73 1HH2 ARG 73 -25.912 10.960 10.960 576 2HH1 ARG 73 2HH2 ARG 73 -26.961 12.287 12.287 577 1HH2 ARG 73 2HH1 ARG 73 -29.137 11.651 11.651 578 2HH2 ARG 73 1HH1 ARG 73 -28.787 12.678 12.678 579 H THR 74 H THR 74 -27.353 8.011 8.011 580 HA THR 74 HA THR 74 -27.595 10.404 10.404 581 HB THR 74 HB THR 74 -29.393 8.816 8.816 582 HG1 THR 74 HG1 THR 74 -28.367 6.713 6.713 583 1HG2 THR 74 2HG2 THR 74 -26.507 9.337 9.337 584 2HG2 THR 74 1HG2 THR 74 -27.200 8.022 8.022 585 3HG2 THR 74 3HG2 THR 74 -27.880 9.644 9.644 586 H SER 75 H SER 75 -30.203 8.079 8.079 587 HA SER 75 HA SER 75 -31.321 9.471 9.471 588 1HB SER 75 2HB SER 75 -31.889 10.559 10.559 589 2HB SER 75 1HB SER 75 -33.366 10.050 10.050 590 HG SER 75 HG SER 75 -33.019 12.050 12.050 591 H ILE 76 H ILE 76 -33.071 8.328 8.328 592 HA ILE 76 HA ILE 76 -34.711 6.494 6.494 593 HB ILE 76 HB ILE 76 -32.576 5.228 5.228 594 1HG1 ILE 76 2HG1 ILE 76 -34.143 3.568 3.568 595 2HG1 ILE 76 1HG1 ILE 76 -35.079 4.283 4.283 596 1HG2 ILE 76 3HG2 ILE 76 -31.698 6.088 6.088 597 2HG2 ILE 76 2HG2 ILE 76 -32.836 5.013 5.013 598 3HG2 ILE 76 1HG2 ILE 76 -31.554 4.342 4.342 599 1HD1 ILE 76 1HD1 ILE 76 -32.914 3.440 3.440 600 2HD1 ILE 76 3HD1 ILE 76 -32.940 2.229 2.229 601 3HD1 ILE 76 2HD1 ILE 76 -34.349 2.445 2.445 602 H THR 77 H THR 77 -36.335 5.548 5.548 603 HA THR 77 HA THR 77 -36.813 7.084 7.084 604 HB THR 77 HB THR 77 -38.724 4.943 4.943 605 HG1 THR 77 HG1 THR 77 -38.193 6.417 6.417 606 1HG2 THR 77 1HG2 THR 77 -39.075 7.213 7.213 607 2HG2 THR 77 3HG2 THR 77 -38.961 7.889 7.889 608 3HG2 THR 77 2HG2 THR 77 -40.280 6.790 6.790 609 HA PRO 78 HA PRO 78 -36.641 2.854 2.854 610 1HB PRO 78 2HB PRO 78 -35.703 0.678 0.678 611 2HB PRO 78 1HB PRO 78 -37.417 1.105 1.105 612 1HG PRO 78 2HG PRO 78 -35.566 1.501 1.501 613 2HG PRO 78 1HG PRO 78 -37.312 1.195 1.195 614 1HD PRO 78 2HD PRO 78 -36.161 3.700 3.700 615 2HD PRO 78 1HD PRO 78 -37.826 3.440 3.440 616 H ARG 79 H ARG 79 -34.774 1.267 1.267 617 HA ARG 79 HA ARG 79 -32.235 2.808 2.808 618 1HB ARG 79 2HB ARG 79 -33.614 1.091 1.091 619 2HB ARG 79 1HB ARG 79 -31.879 0.806 0.806 620 1HG ARG 79 2HG ARG 79 -31.863 2.553 2.553 621 2HG ARG 79 1HG ARG 79 -31.842 3.488 3.488 622 1HD ARG 79 2HD ARG 79 -33.869 4.370 4.370 623 2HD ARG 79 1HD ARG 79 -34.566 2.776 2.776 624 HE ARG 79 HE ARG 79 -33.434 4.567 4.567 625 1HH1 ARG 79 2HH1 ARG 79 -35.914 2.500 2.500 626 2HH1 ARG 79 1HH1 ARG 79 -35.754 1.564 1.564 627 1HH2 ARG 79 1HH2 ARG 79 -32.684 2.932 2.932 628 2HH2 ARG 79 2HH2 ARG 79 -33.923 1.808 1.808 629 HA PRO 80 HA PRO 80 -30.247 1.750 1.750 630 1HB PRO 80 2HB PRO 80 -27.658 1.695 1.695 631 2HB PRO 80 1HB PRO 80 -28.387 0.407 0.407 632 1HG PRO 80 2HG PRO 80 -27.755 0.435 0.435 633 2HG PRO 80 1HG PRO 80 -27.891 -0.941 -0.941 634 1HD PRO 80 2HD PRO 80 -29.844 -0.125 -0.125 635 2HD PRO 80 1HD PRO 80 -30.088 -1.276 -1.276 636 H CYS 81 H CYS 81 -28.328 2.335 2.335 637 HA CYS 81 HA CYS 81 -29.441 5.083 5.083 638 1HB CYS 81 2HB CYS 81 -26.648 4.247 4.247 639 2HB CYS 81 1HB CYS 81 -26.843 5.503 5.503 640 HA PRO 82 HA PRO 82 -29.552 4.119 4.119 641 1HB PRO 82 2HB PRO 82 -29.365 6.610 6.610 642 2HB PRO 82 1HB PRO 82 -30.827 6.013 6.013 643 1HG PRO 82 2HG PRO 82 -28.825 7.988 7.988 644 2HG PRO 82 1HG PRO 82 -30.552 7.860 7.860 645 1HD PRO 82 2HD PRO 82 -28.458 7.010 7.010 646 2HD PRO 82 1HD PRO 82 -30.168 6.542 6.542 647 H TYR 83 H TYR 83 -27.850 3.240 3.240 648 HA TYR 83 HA TYR 83 -25.523 4.986 4.986 649 1HB TYR 83 2HB TYR 83 -25.349 2.436 2.436 650 2HB TYR 83 1HB TYR 83 -24.069 2.819 2.819 651 HD1 TYR 83 HD2 TYR 83 -26.019 4.312 4.312 652 HD2 TYR 83 HD1 TYR 83 -22.368 4.296 4.296 653 HE1 TYR 83 HE2 TYR 83 -25.029 5.940 5.940 654 HE2 TYR 83 HE1 TYR 83 -21.387 5.929 5.929 655 HH TYR 83 HH TYR 83 -22.521 6.517 6.517 656 H SER 84 H SER 84 -24.897 4.799 4.799 657 HA SER 84 HA SER 84 -25.920 2.477 2.477 658 1HB SER 84 2HB SER 84 -24.872 5.038 5.038 659 2HB SER 84 1HB SER 84 -26.042 3.898 3.898 660 HG SER 84 HG SER 84 -27.588 4.846 4.846 661 H SER 85 H SER 85 -24.366 1.073 1.073 662 HA SER 85 HA SER 85 -21.523 1.801 1.801 663 1HB SER 85 2HB SER 85 -21.106 -0.611 -0.611 664 2HB SER 85 1HB SER 85 -22.354 -0.325 -0.325 665 HG SER 85 HG SER 85 -22.599 -1.242 -1.242 666 H ARG 86 H ARG 86 -20.031 1.873 1.873 667 HA ARG 86 HA ARG 86 -20.738 1.057 1.057 668 1HB ARG 86 2HB ARG 86 -21.344 3.596 3.596 669 2HB ARG 86 1HB ARG 86 -19.620 3.818 3.818 670 1HG ARG 86 2HG ARG 86 -20.356 2.205 2.205 671 2HG ARG 86 1HG ARG 86 -21.789 3.209 3.209 672 1HD ARG 86 2HD ARG 86 -20.737 5.060 5.060 673 2HD ARG 86 1HD ARG 86 -19.277 4.727 4.727 674 HE ARG 86 HE ARG 86 -18.846 2.965 2.965 675 1HH1 ARG 86 2HH1 ARG 86 -20.772 3.325 3.325 676 2HH1 ARG 86 1HH1 ARG 86 -20.258 4.681 4.681 677 1HH2 ARG 86 1HH2 ARG 86 -18.051 5.856 5.856 678 2HH2 ARG 86 2HH2 ARG 86 -18.715 6.113 6.113 679 H THR 87 H THR 87 -18.844 0.749 0.749 680 HA THR 87 HA THR 87 -16.267 0.828 0.828 681 HB THR 87 HB THR 87 -15.664 -1.040 -1.040 682 HG1 THR 87 HG1 THR 87 -18.480 -1.287 -1.287 683 1HG2 THR 87 1HG2 THR 87 -16.070 -1.182 -1.182 684 2HG2 THR 87 3HG2 THR 87 -17.657 -1.816 -1.816 685 3HG2 THR 87 2HG2 THR 87 -16.200 -2.669 -2.669 686 H GLU 88 H GLU 88 -14.386 1.517 1.517 687 HA GLU 88 HA GLU 88 -14.397 2.197 2.197 688 1HB GLU 88 2HB GLU 88 -15.558 4.109 4.109 689 2HB GLU 88 1HB GLU 88 -13.966 4.742 4.742 690 1HG GLU 88 2HG GLU 88 -15.347 3.612 3.612 691 2HG GLU 88 1HG GLU 88 -16.251 4.926 4.926 692 H THR 89 H THR 89 -12.453 4.010 4.010 693 HA THR 89 HA THR 89 -10.035 2.615 2.615 694 HB THR 89 HB THR 89 -10.368 5.503 5.503 695 HG1 THR 89 HG1 THR 89 -10.056 4.530 4.530 696 1HG2 THR 89 2HG2 THR 89 -8.082 4.086 4.086 697 2HG2 THR 89 1HG2 THR 89 -8.064 4.003 4.003 698 3HG2 THR 89 3HG2 THR 89 -8.121 5.568 5.568 699 H ASN 90 H ASN 90 -8.624 2.960 2.960 700 HA ASN 90 HA ASN 90 -9.539 4.963 4.963 701 1HB ASN 90 2HB ASN 90 -9.402 2.481 2.481 702 2HB ASN 90 1HB ASN 90 -7.658 2.697 2.697 703 1HD2 ASN 90 2HD2 ASN 90 -7.970 3.669 3.669 704 2HD2 ASN 90 1HD2 ASN 90 -7.385 2.500 2.500 705 H TYR 91 H TYR 91 -8.514 6.748 6.748 706 HA TYR 91 HA TYR 91 -5.523 6.766 6.766 707 1HB TYR 91 2HB TYR 91 -5.842 9.081 9.081 708 2HB TYR 91 1HB TYR 91 -6.071 7.645 7.645 709 HD1 TYR 91 HD1 TYR 91 -8.383 6.843 6.843 710 HD2 TYR 91 HD2 TYR 91 -7.655 10.585 10.585 711 HE1 TYR 91 HE1 TYR 91 -10.682 7.577 7.577 712 HE2 TYR 91 HE2 TYR 91 -9.959 11.324 11.324 713 HH TYR 91 HH TYR 91 -12.362 9.403 9.403 714 H ILE 92 H ILE 92 -5.095 7.241 7.241 715 HA ILE 92 HA ILE 92 -6.514 9.594 9.594 716 HB ILE 92 HB ILE 92 -6.560 8.212 8.212 717 1HG1 ILE 92 2HG1 ILE 92 -6.618 5.861 5.861 718 2HG1 ILE 92 1HG1 ILE 92 -5.082 6.407 6.407 719 1HG2 ILE 92 1HG2 ILE 92 -8.306 7.441 7.441 720 2HG2 ILE 92 3HG2 ILE 92 -8.713 7.196 7.196 721 3HG2 ILE 92 2HG2 ILE 92 -8.560 8.830 8.830 722 1HD1 ILE 92 3HD1 ILE 92 -7.530 5.706 5.706 723 2HD1 ILE 92 2HD1 ILE 92 -6.146 4.639 4.639 724 3HD1 ILE 92 1HD1 ILE 92 -5.943 6.161 6.161 725 H CYS 93 H CYS 93 -5.509 9.863 9.863 726 HA CYS 93 HA CYS 93 -2.521 9.939 9.939 727 1HB CYS 93 2HB CYS 93 -3.712 12.161 12.161 728 2HB CYS 93 1HB CYS 93 -4.251 11.966 11.966 729 H VAL 94 H VAL 94 -1.622 8.598 8.598 730 HA VAL 94 HA VAL 94 -2.948 8.250 8.250 731 HB VAL 94 HB VAL 94 -2.879 6.237 6.237 732 1HG1 VAL 94 2HG1 VAL 94 -0.500 6.886 6.886 733 2HG1 VAL 94 1HG1 VAL 94 0.047 6.070 6.070 734 3HG1 VAL 94 3HG1 VAL 94 -0.861 5.177 5.177 735 1HG2 VAL 94 1HG2 VAL 94 -2.795 6.301 6.301 736 2HG2 VAL 94 3HG2 VAL 94 -2.591 4.774 4.774 737 3HG2 VAL 94 2HG2 VAL 94 -1.180 5.636 5.636 738 H LYS 95 H LYS 95 -1.277 7.587 7.587 739 HA LYS 95 HA LYS 95 1.264 9.057 9.057 740 1HB LYS 95 2HB LYS 95 -0.590 9.085 9.085 741 2HB LYS 95 1HB LYS 95 1.099 9.576 9.576 742 1HG LYS 95 2HG LYS 95 0.530 11.066 11.066 743 2HG LYS 95 1HG LYS 95 -1.129 10.879 10.879 744 1HD LYS 95 2HD LYS 95 -0.767 12.119 12.119 745 2HD LYS 95 1HD LYS 95 0.906 11.585 11.585 746 1HE LYS 95 2HE LYS 95 1.440 12.996 12.996 747 2HE LYS 95 1HE LYS 95 -0.186 13.663 13.663 748 1HZ LYS 95 1HZ LYS 95 0.406 14.226 14.226 749 2HZ LYS 95 3HZ LYS 95 2.014 13.858 13.858 750 3HZ LYS 95 2HZ LYS 95 1.214 15.124 15.124 751 H CYS 96 H CYS 96 3.172 8.035 8.035 752 HA CYS 96 HA CYS 96 2.709 5.239 5.239 753 1HB CYS 96 2HB CYS 96 5.292 6.214 6.214 754 2HB CYS 96 1HB CYS 96 4.679 4.566 4.566 755 H GLU 97 H GLU 97 3.197 4.759 4.759 756 HA GLU 97 HA GLU 97 5.628 5.865 5.865 757 1HB GLU 97 2HB GLU 97 3.814 7.070 7.070 758 2HB GLU 97 1HB GLU 97 2.884 5.590 5.590 759 1HG GLU 97 2HG GLU 97 4.472 4.723 4.723 760 2HG GLU 97 1HG GLU 97 5.629 6.001 6.001 761 H ASN 98 H ASN 98 6.684 4.102 4.102 762 HA ASN 98 HA ASN 98 7.242 1.785 1.785 763 1HB ASN 98 2HB ASN 98 4.230 1.771 1.771 764 2HB ASN 98 1HB ASN 98 5.201 0.307 0.307 765 1HD2 ASN 98 2HD2 ASN 98 6.929 1.606 1.606 766 2HD2 ASN 98 1HD2 ASN 98 7.285 0.782 0.782 767 H GLN 99 H GLN 99 6.665 2.991 2.991 768 HA GLN 99 HA GLN 99 6.376 2.598 2.598 769 1HB GLN 99 2HB GLN 99 7.303 0.428 0.428 770 2HB GLN 99 1HB GLN 99 8.378 1.315 1.315 771 1HG GLN 99 2HG GLN 99 7.842 -0.151 -0.151 772 2HG GLN 99 1HG GLN 99 6.589 -0.956 -0.956 773 1HE2 GLN 99 2HE2 GLN 99 10.514 -1.669 -1.669 774 2HE2 GLN 99 1HE2 GLN 99 10.098 -0.156 -0.156 775 H TYR 100 H TYR 100 4.047 1.650 1.650 776 HA TYR 100 HA TYR 100 2.558 0.390 0.390 777 1HB TYR 100 2HB TYR 100 1.674 -1.228 -1.228 778 2HB TYR 100 1HB TYR 100 2.904 -0.805 -0.805 779 HD1 TYR 100 HD2 TYR 100 -0.575 0.239 0.239 780 HD2 TYR 100 HD1 TYR 100 2.216 -0.198 -0.198 781 HE1 TYR 100 HE2 TYR 100 -2.326 0.960 0.960 782 HE2 TYR 100 HE1 TYR 100 0.462 0.513 0.513 783 HH TYR 100 HH TYR 100 -2.348 2.028 2.028 784 HA PRO 101 HA PRO 101 0.331 4.189 4.189 785 1HB PRO 101 2HB PRO 101 -2.229 3.341 3.341 786 2HB PRO 101 1HB PRO 101 -0.940 3.591 3.591 787 1HG PRO 101 2HG PRO 101 -1.920 1.013 1.013 788 2HG PRO 101 1HG PRO 101 -1.351 1.332 1.332 789 1HD PRO 101 2HD PRO 101 0.226 0.101 0.101 790 2HD PRO 101 1HD PRO 101 0.894 1.121 1.121 791 H VAL 102 H VAL 102 0.613 4.514 4.514 792 HA VAL 102 HA VAL 102 -1.235 3.301 3.301 793 HB VAL 102 HB VAL 102 1.054 5.277 5.277 794 1HG1 VAL 102 1HG1 VAL 102 -0.824 4.236 4.236 795 2HG1 VAL 102 3HG1 VAL 102 0.819 4.744 4.744 796 3HG1 VAL 102 2HG1 VAL 102 -0.313 5.898 5.898 797 1HG2 VAL 102 3HG2 VAL 102 1.165 2.590 2.590 798 2HG2 VAL 102 2HG2 VAL 102 2.361 3.503 3.503 799 3HG2 VAL 102 1HG2 VAL 102 1.058 2.672 2.672 800 H HIS 103 H HIS 103 -0.997 6.259 6.259 801 HA HIS 103 HA HIS 103 -3.376 7.291 7.291 802 1HB HIS 103 2HB HIS 103 -1.844 9.560 9.560 803 2HB HIS 103 1HB HIS 103 -2.177 9.034 9.034 804 HD1 HIS 103 HD1 HIS 103 -0.022 8.957 8.957 805 HD2 HIS 103 HD2 HIS 103 0.520 7.622 7.622 806 HE1 HIS 103 HE1 HIS 103 2.400 8.213 8.213 807 H PHE 104 H PHE 104 -4.824 8.496 8.496 808 HA PHE 104 HA PHE 104 -4.046 8.244 8.244 809 1HB PHE 104 2HB PHE 104 -6.412 7.292 7.292 810 2HB PHE 104 1HB PHE 104 -6.902 8.660 8.660 811 HD1 PHE 104 HD1 PHE 104 -4.992 8.605 8.605 812 HD2 PHE 104 HD2 PHE 104 -6.926 5.330 5.330 813 HE1 PHE 104 HE1 PHE 104 -4.609 7.215 7.215 814 HE2 PHE 104 HE2 PHE 104 -6.569 3.921 3.921 815 HZ PHE 104 HZ PHE 104 -5.409 4.873 4.873 816 H ALA 105 H ALA 105 -3.995 10.055 10.055 817 HA ALA 105 HA ALA 105 -4.378 12.650 12.650 818 1HB ALA 105 3HB ALA 105 -2.717 11.681 11.681 819 2HB ALA 105 2HB ALA 105 -3.755 12.902 12.902 820 3HB ALA 105 1HB ALA 105 -2.765 13.312 13.312 821 H GLY 106 H GLY 106 -5.927 10.839 10.839 822 1HA GLY 106 2HA GLY 106 -8.501 11.533 11.533 823 2HA GLY 106 1HA GLY 106 -7.851 13.071 13.071 824 H ILE 107 H ILE 107 -8.767 13.135 13.135 825 HA ILE 107 HA ILE 107 -8.958 10.901 10.901 826 HB ILE 107 HB ILE 107 -9.612 12.628 12.628 827 1HG1 ILE 107 2HG1 ILE 107 -9.269 14.684 14.684 828 2HG1 ILE 107 1HG1 ILE 107 -7.932 14.314 14.314 829 1HG2 ILE 107 3HG2 ILE 107 -11.088 11.732 11.732 830 2HG2 ILE 107 2HG2 ILE 107 -10.914 13.368 13.368 831 3HG2 ILE 107 1HG2 ILE 107 -11.654 13.110 13.110 832 1HD1 ILE 107 1HD1 ILE 107 -9.907 14.577 14.577 833 2HD1 ILE 107 3HD1 ILE 107 -10.520 15.665 15.665 834 3HD1 ILE 107 2HD1 ILE 107 -8.926 15.940 15.940 835 H GLY 108 H GLY 108 -8.101 11.677 11.677 836 1HA GLY 108 2HA GLY 108 -5.311 11.033 11.033 837 2HA GLY 108 1HA GLY 108 -6.234 11.537 11.537 838 H ARG 109 H ARG 109 -6.985 14.085 14.085 839 HA ARG 109 HA ARG 109 -4.629 15.640 15.640 840 1HB ARG 109 2HB ARG 109 -7.168 16.233 16.233 841 2HB ARG 109 1HB ARG 109 -7.048 16.844 16.844 842 1HG ARG 109 2HG ARG 109 -4.990 17.621 17.621 843 2HG ARG 109 1HG ARG 109 -6.534 18.472 18.472 844 1HD ARG 109 2HD ARG 109 -5.728 18.347 18.347 845 2HD ARG 109 1HD ARG 109 -4.229 18.653 18.653 846 HE ARG 109 HE ARG 109 -6.542 20.473 20.473 847 1HH1 ARG 109 1HH1 ARG 109 -4.254 21.428 21.428 848 2HH1 ARG 109 2HH1 ARG 109 -5.341 20.082 20.082 849 1HH2 ARG 109 1HH2 ARG 109 -4.376 22.015 22.015 850 2HH2 ARG 109 2HH2 ARG 109 -3.707 22.524 22.524 851 H CYS 110 H CYS 110 -3.033 16.109 16.109 852 HA CYS 110 HA CYS 110 -3.674 16.275 16.275 853 1HB CYS 110 2HB CYS 110 -1.854 14.557 14.557 854 2HB CYS 110 1HB CYS 110 -0.898 15.669 15.669 855 HA PRO 111 HA PRO 111 -1.670 20.254 20.254 856 1HB PRO 111 2HB PRO 111 -0.364 20.377 20.377 857 2HB PRO 111 1HB PRO 111 -2.122 20.527 20.527 858 1HG PRO 111 2HG PRO 111 -0.522 18.231 18.231 859 2HG PRO 111 1HG PRO 111 -2.195 18.686 18.686 860 1HD PRO 111 1HD PRO 111 -1.372 16.632 16.632 861 2HD PRO 111 2HD PRO 111 -3.011 17.301 17.301 Start of MODEL 7 1 HN PCA 1 HN PCA 1 -3.476 3.703 3.703 2 HA PCA 1 HA PCA 1 -1.567 4.674 4.674 3 1HB PCA 1 1HB PCA 1 -2.242 5.482 5.482 4 2HB PCA 1 2HB PCA 1 -2.469 3.814 3.814 5 1HG PCA 1 1HG PCA 1 -4.485 5.738 5.738 6 2HG PCA 1 2HG PCA 1 -4.713 4.035 4.035 7 H ASN 2 H ASN 2 -3.558 1.804 1.804 8 HA ASN 2 HA ASN 2 -1.101 0.177 0.177 9 1HB ASN 2 2HB ASN 2 -2.701 -0.004 -0.004 10 2HB ASN 2 1HB ASN 2 -4.002 -0.363 -0.363 11 1HD2 ASN 2 2HD2 ASN 2 -1.239 -3.293 -3.293 12 2HD2 ASN 2 1HD2 ASN 2 -0.831 -1.665 -1.665 13 H TRP 3 H TRP 3 -0.926 -1.823 -1.823 14 HA TRP 3 HA TRP 3 -1.700 -1.584 -1.584 15 1HB TRP 3 2HB TRP 3 0.215 -3.042 -3.042 16 2HB TRP 3 1HB TRP 3 -0.831 -4.264 -4.264 17 HD1 TRP 3 HD1 TRP 3 2.228 -2.730 -2.730 18 HE1 TRP 3 HE1 TRP 3 2.817 -2.700 -2.700 19 HE3 TRP 3 HE3 TRP 3 -2.420 -3.477 -3.477 20 HZ2 TRP 3 HZ2 TRP 3 1.521 -2.971 -2.971 21 HZ3 TRP 3 HZ3 TRP 3 -2.692 -3.605 -3.605 22 HH2 TRP 3 HH2 TRP 3 -0.729 -3.351 -3.351 23 H ALA 4 H ALA 4 -2.711 -3.809 -3.809 24 HA ALA 4 HA ALA 4 -4.515 -5.400 -5.400 25 1HB ALA 4 1HB ALA 4 -3.590 -5.434 -5.434 26 2HB ALA 4 3HB ALA 4 -5.291 -5.021 -5.021 27 3HB ALA 4 2HB ALA 4 -4.842 -6.496 -6.496 28 H THR 5 H THR 5 -5.206 -2.708 -2.708 29 HA THR 5 HA THR 5 -8.001 -2.525 -2.525 30 HB THR 5 HB THR 5 -6.387 -0.123 -0.123 31 HG1 THR 5 HG1 THR 5 -6.530 -0.999 -0.999 32 1HG2 THR 5 1HG2 THR 5 -8.957 -0.255 -0.255 33 2HG2 THR 5 3HG2 THR 5 -8.971 -1.160 -1.160 34 3HG2 THR 5 2HG2 THR 5 -8.360 0.495 0.495 35 H PHE 6 H PHE 6 -5.098 -1.229 -1.229 36 HA PHE 6 HA PHE 6 -6.515 0.602 0.602 37 1HB PHE 6 2HB PHE 6 -4.203 1.077 1.077 38 2HB PHE 6 1HB PHE 6 -3.724 -0.465 -0.465 39 HD1 PHE 6 HD2 PHE 6 -4.026 -0.864 -0.864 40 HD2 PHE 6 HD1 PHE 6 -4.565 3.058 3.058 41 HE1 PHE 6 HE2 PHE 6 -3.805 0.150 0.150 42 HE2 PHE 6 HE1 PHE 6 -4.344 4.075 4.075 43 HZ PHE 6 HZ PHE 6 -3.965 2.605 2.605 44 H GLN 7 H GLN 7 -5.839 -2.773 -2.773 45 HA GLN 7 HA GLN 7 -5.932 -3.295 -3.295 46 1HB GLN 7 2HB GLN 7 -5.179 -4.989 -4.989 47 2HB GLN 7 1HB GLN 7 -6.841 -5.099 -5.099 48 1HG GLN 7 2HG GLN 7 -7.059 -6.761 -6.761 49 2HG GLN 7 1HG GLN 7 -7.168 -5.460 -5.460 50 1HE2 GLN 7 2HE2 GLN 7 -3.441 -7.164 -7.164 51 2HE2 GLN 7 1HE2 GLN 7 -4.378 -6.869 -6.869 52 H GLN 8 H GLN 8 -8.337 -2.977 -2.977 53 HA GLN 8 HA GLN 8 -10.583 -3.479 -3.479 54 1HB GLN 8 2HB GLN 8 -10.227 -2.870 -2.870 55 2HB GLN 8 1HB GLN 8 -11.682 -2.181 -2.181 56 1HG GLN 8 2HG GLN 8 -12.525 -4.296 -4.296 57 2HG GLN 8 1HG GLN 8 -10.945 -5.069 -5.069 58 1HE2 GLN 8 2HE2 GLN 8 -13.350 -5.278 -5.278 59 2HE2 GLN 8 1HE2 GLN 8 -13.837 -5.087 -5.087 60 H LYS 9 H LYS 9 -8.792 -0.747 -0.747 61 HA LYS 9 HA LYS 9 -10.300 1.479 1.479 62 1HB LYS 9 2HB LYS 9 -8.070 1.667 1.667 63 2HB LYS 9 1HB LYS 9 -7.327 1.186 1.186 64 1HG LYS 9 2HG LYS 9 -7.154 3.420 3.420 65 2HG LYS 9 1HG LYS 9 -8.831 3.291 3.291 66 1HD LYS 9 2HD LYS 9 -9.403 4.709 4.709 67 2HD LYS 9 1HD LYS 9 -8.941 3.471 3.471 68 1HE LYS 9 2HE LYS 9 -6.595 4.296 4.296 69 2HE LYS 9 1HE LYS 9 -7.109 5.571 5.571 70 1HZ LYS 9 1HZ LYS 9 -8.783 6.145 6.145 71 2HZ LYS 9 3HZ LYS 9 -7.812 5.199 5.199 72 3HZ LYS 9 2HZ LYS 9 -7.156 6.566 6.566 73 H HIS 10 H HIS 10 -8.127 0.089 0.089 74 HA HIS 10 HA HIS 10 -9.943 1.329 1.329 75 1HB HIS 10 2HB HIS 10 -6.984 0.733 0.733 76 2HB HIS 10 1HB HIS 10 -7.964 1.262 1.262 77 HD1 HIS 10 HD1 HIS 10 -9.126 3.601 3.601 78 HD2 HIS 10 HD2 HIS 10 -6.586 2.703 2.703 79 HE1 HIS 10 HE1 HIS 10 -8.936 5.713 5.713 80 H ILE 11 H ILE 11 -8.554 -1.773 -1.773 81 HA ILE 11 HA ILE 11 -9.536 -2.903 -2.903 82 HB ILE 11 HB ILE 11 -7.986 -4.299 -4.299 83 1HG1 ILE 11 2HG1 ILE 11 -6.270 -4.085 -4.085 84 2HG1 ILE 11 1HG1 ILE 11 -7.221 -2.632 -2.632 85 1HG2 ILE 11 2HG2 ILE 11 -9.008 -5.075 -5.075 86 2HG2 ILE 11 1HG2 ILE 11 -7.502 -5.774 -5.774 87 3HG2 ILE 11 3HG2 ILE 11 -8.992 -6.012 -6.012 88 1HD1 ILE 11 2HD1 ILE 11 -6.341 -3.148 -3.148 89 2HD1 ILE 11 1HD1 ILE 11 -5.115 -2.615 -2.615 90 3HD1 ILE 11 3HD1 ILE 11 -6.537 -1.616 -1.616 91 H ILE 12 H ILE 12 -11.789 -2.324 -2.324 92 HA ILE 12 HA ILE 12 -12.883 -4.534 -4.534 93 HB ILE 12 HB ILE 12 -14.306 -2.161 -2.161 94 1HG1 ILE 12 2HG1 ILE 12 -13.304 -2.579 -2.579 95 2HG1 ILE 12 1HG1 ILE 12 -12.651 -1.426 -1.426 96 1HG2 ILE 12 3HG2 ILE 12 -15.554 -4.347 -4.347 97 2HG2 ILE 12 2HG2 ILE 12 -15.271 -3.836 -3.836 98 3HG2 ILE 12 1HG2 ILE 12 -16.207 -2.812 -2.812 99 1HD1 ILE 12 3HD1 ILE 12 -15.490 -1.023 -1.023 100 2HD1 ILE 12 2HD1 ILE 12 -14.813 -1.040 -1.040 101 3HD1 ILE 12 1HD1 ILE 12 -14.193 0.093 0.093 102 H ASN 13 H ASN 13 -12.048 -5.928 -5.928 103 HA ASN 13 HA ASN 13 -13.215 -5.787 -5.787 104 1HB ASN 13 2HB ASN 13 -11.042 -7.058 -7.058 105 2HB ASN 13 1HB ASN 13 -12.181 -8.400 -8.400 106 1HD2 ASN 13 2HD2 ASN 13 -10.701 -7.807 -7.807 107 2HD2 ASN 13 1HD2 ASN 13 -9.939 -7.496 -7.496 108 H THR 14 H THR 14 -15.477 -5.610 -5.610 109 HA THR 14 HA THR 14 -16.807 -8.256 -8.256 110 HB THR 14 HB THR 14 -18.554 -7.034 -7.034 111 HG1 THR 14 HG1 THR 14 -17.652 -5.007 -5.007 112 1HG2 THR 14 3HG2 THR 14 -15.850 -8.034 -8.034 113 2HG2 THR 14 2HG2 THR 14 -17.171 -7.698 -7.698 114 3HG2 THR 14 1HG2 THR 14 -17.357 -8.946 -8.946 115 HA PRO 15 HA PRO 15 -18.432 -5.250 -5.250 116 1HB PRO 15 2HB PRO 15 -17.889 -6.772 -6.772 117 2HB PRO 15 1HB PRO 15 -16.768 -5.577 -5.577 118 1HG PRO 15 2HG PRO 15 -16.632 -8.542 -8.542 119 2HG PRO 15 1HG PRO 15 -15.330 -7.351 -7.351 120 1HD PRO 15 2HD PRO 15 -16.558 -8.767 -8.767 121 2HD PRO 15 1HD PRO 15 -15.428 -7.402 -7.402 122 H ILE 16 H ILE 16 -20.393 -5.962 -5.962 123 HA ILE 16 HA ILE 16 -21.945 -7.974 -7.974 124 HB ILE 16 HB ILE 16 -23.132 -8.510 -8.510 125 1HG1 ILE 16 2HG1 ILE 16 -20.704 -7.171 -7.171 126 2HG1 ILE 16 1HG1 ILE 16 -22.304 -6.433 -6.433 127 1HG2 ILE 16 1HG2 ILE 16 -21.388 -9.967 -9.967 128 2HG2 ILE 16 3HG2 ILE 16 -20.164 -9.105 -9.105 129 3HG2 ILE 16 2HG2 ILE 16 -21.399 -10.050 -10.050 130 1HD1 ILE 16 3HD1 ILE 16 -21.891 -9.186 -9.186 131 2HD1 ILE 16 2HD1 ILE 16 -21.678 -7.732 -7.732 132 3HD1 ILE 16 1HD1 ILE 16 -23.244 -8.082 -8.082 133 H ILE 17 H ILE 17 -24.433 -7.504 -7.504 134 HA ILE 17 HA ILE 17 -24.917 -4.667 -4.667 135 HB ILE 17 HB ILE 17 -27.285 -5.433 -5.433 136 1HG1 ILE 17 2HG1 ILE 17 -26.265 -8.245 -8.245 137 2HG1 ILE 17 1HG1 ILE 17 -26.861 -7.321 -7.321 138 1HG2 ILE 17 3HG2 ILE 17 -25.106 -5.915 -5.915 139 2HG2 ILE 17 2HG2 ILE 17 -25.886 -7.495 -7.495 140 3HG2 ILE 17 1HG2 ILE 17 -26.797 -6.090 -6.090 141 1HD1 ILE 17 1HD1 ILE 17 -28.919 -6.838 -6.838 142 2HD1 ILE 17 3HD1 ILE 17 -28.356 -8.254 -8.254 143 3HD1 ILE 17 2HD1 ILE 17 -28.803 -8.398 -8.398 144 H ASN 18 H ASN 18 -23.868 -5.289 -5.289 145 HA ASN 18 HA ASN 18 -25.979 -3.994 -3.994 146 1HB ASN 18 2HB ASN 18 -24.688 -6.577 -6.577 147 2HB ASN 18 1HB ASN 18 -25.972 -5.666 -5.666 148 1HD2 ASN 18 2HD2 ASN 18 -26.938 -8.394 -8.394 149 2HD2 ASN 18 1HD2 ASN 18 -25.359 -8.219 -8.219 150 H CYS 19 H CYS 19 -24.635 -2.202 -2.202 151 HA CYS 19 HA CYS 19 -21.838 -2.545 -2.545 152 1HB CYS 19 2HB CYS 19 -23.447 0.037 0.037 153 2HB CYS 19 1HB CYS 19 -21.698 -0.135 -0.135 154 H ASN 20 H ASN 20 -24.812 -2.779 -2.779 155 HA ASN 20 HA ASN 20 -24.025 -1.410 -1.410 156 1HB ASN 20 2HB ASN 20 -26.135 -2.506 -2.506 157 2HB ASN 20 1HB ASN 20 -26.367 -1.399 -1.399 158 1HD2 ASN 20 2HD2 ASN 20 -27.522 -3.925 -3.925 159 2HD2 ASN 20 1HD2 ASN 20 -27.029 -2.308 -2.308 160 H THR 21 H THR 21 -24.534 -4.862 -4.862 161 HA THR 21 HA THR 21 -23.681 -5.866 -5.866 162 HB THR 21 HB THR 21 -23.511 -7.396 -7.396 163 HG1 THR 21 HG1 THR 21 -25.670 -7.866 -7.866 164 1HG2 THR 21 2HG2 THR 21 -23.876 -8.125 -8.125 165 2HG2 THR 21 1HG2 THR 21 -24.197 -9.254 -9.254 166 3HG2 THR 21 3HG2 THR 21 -22.571 -8.614 -8.614 167 H ILE 22 H ILE 22 -21.876 -4.744 -4.744 168 HA ILE 22 HA ILE 22 -19.401 -6.088 -6.088 169 HB ILE 22 HB ILE 22 -18.371 -4.924 -4.924 170 1HG1 ILE 22 2HG1 ILE 22 -21.089 -3.654 -3.654 171 2HG1 ILE 22 1HG1 ILE 22 -19.717 -2.803 -2.803 172 1HG2 ILE 22 1HG2 ILE 22 -21.037 -6.275 -6.275 173 2HG2 ILE 22 3HG2 ILE 22 -20.047 -5.770 -5.770 174 3HG2 ILE 22 2HG2 ILE 22 -19.421 -6.948 -6.948 175 1HD1 ILE 22 2HD1 ILE 22 -18.388 -3.384 -3.384 176 2HD1 ILE 22 1HD1 ILE 22 -19.872 -4.015 -4.015 177 3HD1 ILE 22 3HD1 ILE 22 -19.747 -2.304 -2.304 178 H MET 23 H MET 23 -20.911 -2.919 -2.919 179 HA MET 23 HA MET 23 -18.510 -1.757 -1.757 180 1HB MET 23 2HB MET 23 -19.904 -0.451 -0.451 181 2HB MET 23 1HB MET 23 -21.221 -0.485 -0.485 182 1HG MET 23 2HG MET 23 -18.866 0.374 0.374 183 2HG MET 23 1HG MET 23 -19.001 1.316 1.316 184 1HE MET 23 1HE MET 23 -20.564 2.634 2.634 185 2HE MET 23 3HE MET 23 -22.184 1.952 1.952 186 3HE MET 23 2HE MET 23 -21.787 3.509 3.509 187 H ASP 24 H ASP 24 -20.924 -3.746 -3.746 188 HA ASP 24 HA ASP 24 -21.905 -2.458 -2.458 189 1HB ASP 24 2HB ASP 24 -21.584 -5.332 -5.332 190 2HB ASP 24 1HB ASP 24 -22.143 -4.952 -4.952 191 H ASN 25 H ASN 25 -20.108 -1.431 -1.431 192 HA ASN 25 HA ASN 25 -18.584 -3.046 -3.046 193 1HB ASN 25 2HB ASN 25 -17.356 -3.327 -3.327 194 2HB ASN 25 1HB ASN 25 -16.968 -1.626 -1.626 195 1HD2 ASN 25 2HD2 ASN 25 -14.032 -3.088 -3.088 196 2HD2 ASN 25 1HD2 ASN 25 -14.673 -2.703 -2.703 197 H ASN 26 H ASN 26 -17.599 -1.728 -1.728 198 HA ASN 26 HA ASN 26 -18.694 0.937 0.937 199 1HB ASN 26 2HB ASN 26 -16.480 -0.556 -0.556 200 2HB ASN 26 1HB ASN 26 -17.057 1.035 1.035 201 1HD2 ASN 26 1HD2 ASN 26 -19.552 1.141 1.141 202 2HD2 ASN 26 2HD2 ASN 26 -20.279 -0.218 -0.218 203 H ILE 27 H ILE 27 -16.032 -0.195 -0.195 204 HA ILE 27 HA ILE 27 -14.423 2.250 2.250 205 HB ILE 27 HB ILE 27 -14.160 -0.039 -0.039 206 1HG1 ILE 27 2HG1 ILE 27 -12.726 0.381 0.381 207 2HG1 ILE 27 1HG1 ILE 27 -14.080 -0.729 -0.729 208 1HG2 ILE 27 3HG2 ILE 27 -12.518 2.358 2.358 209 2HG2 ILE 27 2HG2 ILE 27 -11.674 0.864 0.864 210 3HG2 ILE 27 1HG2 ILE 27 -12.770 1.601 1.601 211 1HD1 ILE 27 2HD1 ILE 27 -12.578 -1.593 -1.593 212 2HD1 ILE 27 1HD1 ILE 27 -11.282 -0.925 -0.925 213 3HD1 ILE 27 3HD1 ILE 27 -12.329 -2.187 -2.187 214 H TYR 28 H TYR 28 -17.329 1.890 1.890 215 HA TYR 28 HA TYR 28 -16.729 3.834 3.834 216 1HB TYR 28 2HB TYR 28 -18.208 1.205 1.205 217 2HB TYR 28 1HB TYR 28 -18.436 2.544 2.544 218 HD1 TYR 28 HD2 TYR 28 -16.098 3.683 3.683 219 HD2 TYR 28 HD1 TYR 28 -16.623 -0.391 -0.391 220 HE1 TYR 28 HE2 TYR 28 -14.041 3.038 3.038 221 HE2 TYR 28 HE1 TYR 28 -14.562 -1.032 -1.032 222 HH TYR 28 HH TYR 28 -12.465 0.094 0.094 223 H ILE 29 H ILE 29 -17.746 5.010 5.010 224 HA ILE 29 HA ILE 29 -20.682 5.269 5.269 225 HB ILE 29 HB ILE 29 -19.541 5.032 5.032 226 1HG1 ILE 29 2HG1 ILE 29 -21.198 2.995 2.995 227 2HG1 ILE 29 1HG1 ILE 29 -19.447 2.886 2.886 228 1HG2 ILE 29 2HG2 ILE 29 -22.208 5.614 5.614 229 2HG2 ILE 29 1HG2 ILE 29 -22.189 4.548 4.548 230 3HG2 ILE 29 3HG2 ILE 29 -21.514 6.172 6.172 231 1HD1 ILE 29 3HD1 ILE 29 -21.348 3.096 3.096 232 2HD1 ILE 29 2HD1 ILE 29 -20.730 1.568 1.568 233 3HD1 ILE 29 1HD1 ILE 29 -19.618 2.755 2.755 234 H VAL 30 H VAL 30 -21.589 7.227 7.227 235 HA VAL 30 HA VAL 30 -19.636 9.486 9.486 236 HB VAL 30 HB VAL 30 -22.430 9.490 9.490 237 1HG1 VAL 30 3HG1 VAL 30 -20.406 11.658 11.658 238 2HG1 VAL 30 2HG1 VAL 30 -21.586 11.816 11.816 239 3HG1 VAL 30 1HG1 VAL 30 -22.131 11.647 11.647 240 1HG2 VAL 30 3HG2 VAL 30 -19.672 9.786 9.786 241 2HG2 VAL 30 2HG2 VAL 30 -20.742 8.395 8.395 242 3HG2 VAL 30 1HG2 VAL 30 -21.201 9.958 9.958 243 H GLY 31 H GLY 31 -20.778 11.352 11.352 244 1HA GLY 31 2HA GLY 31 -21.967 10.085 10.085 245 2HA GLY 31 1HA GLY 31 -21.384 11.746 11.746 246 H GLY 32 H GLY 32 -23.772 9.833 9.833 247 1HA GLY 32 2HA GLY 32 -26.030 11.398 11.398 248 2HA GLY 32 1HA GLY 32 -25.570 11.801 11.801 249 H GLN 33 H GLN 33 -24.965 9.543 9.543 250 HA GLN 33 HA GLN 33 -26.676 7.267 7.267 251 1HB GLN 33 2HB GLN 33 -28.403 8.848 8.848 252 2HB GLN 33 1HB GLN 33 -27.513 9.096 9.096 253 1HG GLN 33 2HG GLN 33 -28.964 7.460 7.460 254 2HG GLN 33 1HG GLN 33 -27.700 6.413 6.413 255 1HE2 GLN 33 2HE2 GLN 33 -31.342 6.464 6.464 256 2HE2 GLN 33 1HE2 GLN 33 -31.011 7.359 7.359 257 H CYS 34 H CYS 34 -25.761 8.772 8.772 258 HA CYS 34 HA CYS 34 -23.525 6.907 6.907 259 1HB CYS 34 2HB CYS 34 -24.429 5.919 5.919 260 2HB CYS 34 1HB CYS 34 -25.498 5.566 5.566 261 H LYS 35 H LYS 35 -22.049 7.714 7.714 262 HA LYS 35 HA LYS 35 -22.105 10.510 10.510 263 1HB LYS 35 2HB LYS 35 -20.163 8.607 8.607 264 2HB LYS 35 1HB LYS 35 -20.442 8.771 8.771 265 1HG LYS 35 2HG LYS 35 -20.406 11.410 11.410 266 2HG LYS 35 1HG LYS 35 -19.073 10.582 10.582 267 1HD LYS 35 2HD LYS 35 -18.151 9.884 9.884 268 2HD LYS 35 1HD LYS 35 -19.542 10.551 10.551 269 1HE LYS 35 2HE LYS 35 -17.788 12.258 12.258 270 2HE LYS 35 1HE LYS 35 -17.430 12.010 12.010 271 1HZ LYS 35 3HZ LYS 35 -19.971 13.088 13.088 272 2HZ LYS 35 2HZ LYS 35 -18.751 14.003 14.003 273 3HZ LYS 35 1HZ LYS 35 -19.626 12.855 12.855 274 H ARG 36 H ARG 36 -21.548 11.068 11.068 275 HA ARG 36 HA ARG 36 -23.978 10.208 10.208 276 1HB ARG 36 2HB ARG 36 -22.165 12.622 12.622 277 2HB ARG 36 1HB ARG 36 -23.482 12.245 12.245 278 1HG ARG 36 2HG ARG 36 -24.758 13.486 13.486 279 2HG ARG 36 1HG ARG 36 -24.743 12.055 12.055 280 1HD ARG 36 2HD ARG 36 -22.330 13.664 13.664 281 2HD ARG 36 1HD ARG 36 -23.792 14.589 14.589 282 HE ARG 36 HE ARG 36 -22.993 12.095 12.095 283 1HH1 ARG 36 1HH2 ARG 36 -25.918 12.349 12.349 284 2HH1 ARG 36 2HH2 ARG 36 -26.229 13.351 13.351 285 1HH2 ARG 36 1HH1 ARG 36 -24.557 14.568 14.568 286 2HH2 ARG 36 2HH1 ARG 36 -22.966 14.501 14.501 287 H VAL 37 H VAL 37 -20.789 9.286 9.286 288 HA VAL 37 HA VAL 37 -20.902 8.112 8.112 289 HB VAL 37 HB VAL 37 -20.109 10.541 10.541 290 1HG1 VAL 37 3HG1 VAL 37 -18.523 10.466 10.466 291 2HG1 VAL 37 2HG1 VAL 37 -17.463 9.475 9.475 292 3HG1 VAL 37 1HG1 VAL 37 -17.857 11.123 11.123 293 1HG2 VAL 37 1HG2 VAL 37 -19.821 8.586 8.586 294 2HG2 VAL 37 3HG2 VAL 37 -18.631 9.876 9.876 295 3HG2 VAL 37 2HG2 VAL 37 -18.198 8.389 8.389 296 H ASN 38 H ASN 38 -20.336 6.128 6.128 297 HA ASN 38 HA ASN 38 -18.088 5.637 5.637 298 1HB ASN 38 2HB ASN 38 -20.050 3.553 3.553 299 2HB ASN 38 1HB ASN 38 -18.987 3.444 3.444 300 1HD2 ASN 38 2HD2 ASN 38 -21.146 6.102 6.102 301 2HD2 ASN 38 1HD2 ASN 38 -19.561 6.143 6.143 302 H THR 39 H THR 39 -16.580 6.235 6.235 303 HA THR 39 HA THR 39 -16.498 4.767 4.767 304 HB THR 39 HB THR 39 -14.275 6.485 6.485 305 HG1 THR 39 HG1 THR 39 -16.692 7.282 7.282 306 1HG2 THR 39 1HG2 THR 39 -14.845 5.175 5.175 307 2HG2 THR 39 3HG2 THR 39 -14.874 6.921 6.921 308 3HG2 THR 39 2HG2 THR 39 -13.443 6.153 6.153 309 H PHE 40 H PHE 40 -15.846 2.711 2.711 310 HA PHE 40 HA PHE 40 -13.565 1.867 1.867 311 1HB PHE 40 2HB PHE 40 -15.370 0.028 0.028 312 2HB PHE 40 1HB PHE 40 -14.386 -0.366 -0.366 313 HD1 PHE 40 HD2 PHE 40 -14.984 1.503 1.503 314 HD2 PHE 40 HD1 PHE 40 -17.637 -0.112 -0.112 315 HE1 PHE 40 HE2 PHE 40 -16.920 1.948 1.948 316 HE2 PHE 40 HE1 PHE 40 -19.571 0.337 0.337 317 HZ PHE 40 HZ PHE 40 -19.212 1.364 1.364 318 H ILE 41 H ILE 41 -11.911 0.416 0.416 319 HA ILE 41 HA ILE 41 -11.734 1.121 1.121 320 HB ILE 41 HB ILE 41 -9.485 0.761 0.761 321 1HG1 ILE 41 2HG1 ILE 41 -10.692 2.905 2.905 322 2HG1 ILE 41 1HG1 ILE 41 -9.070 3.151 3.151 323 1HG2 ILE 41 2HG2 ILE 41 -9.492 1.171 1.171 324 2HG2 ILE 41 1HG2 ILE 41 -8.100 1.589 1.589 325 3HG2 ILE 41 3HG2 ILE 41 -8.665 -0.082 -0.082 326 1HD1 ILE 41 3HD1 ILE 41 -10.185 3.003 3.003 327 2HD1 ILE 41 2HD1 ILE 41 -11.703 3.247 3.247 328 3HD1 ILE 41 1HD1 ILE 41 -10.441 4.476 4.476 329 H ILE 42 H ILE 42 -11.452 -0.541 -0.541 330 HA ILE 42 HA ILE 42 -11.310 -3.300 -3.300 331 HB ILE 42 HB ILE 42 -13.325 -2.991 -2.991 332 1HG1 ILE 42 2HG1 ILE 42 -12.964 -4.577 -4.577 333 2HG1 ILE 42 1HG1 ILE 42 -11.233 -4.494 -4.494 334 1HG2 ILE 42 1HG2 ILE 42 -11.535 -1.936 -1.936 335 2HG2 ILE 42 3HG2 ILE 42 -13.251 -2.285 -2.285 336 3HG2 ILE 42 2HG2 ILE 42 -12.721 -1.017 -1.017 337 1HD1 ILE 42 3HD1 ILE 42 -12.133 -5.041 -5.041 338 2HD1 ILE 42 2HD1 ILE 42 -13.379 -5.845 -5.845 339 3HD1 ILE 42 1HD1 ILE 42 -11.685 -6.291 -6.291 340 H SER 43 H SER 43 -9.260 -4.020 -4.020 341 HA SER 43 HA SER 43 -7.723 -4.552 -4.552 342 1HB SER 43 2HB SER 43 -7.408 -2.160 -2.160 343 2HB SER 43 1HB SER 43 -6.981 -1.953 -1.953 344 HG SER 43 HG SER 43 -5.021 -2.526 -2.526 345 H SER 44 H SER 44 -5.738 -5.629 -5.629 346 HA SER 44 HA SER 44 -5.654 -6.887 -6.887 347 1HB SER 44 2HB SER 44 -3.316 -7.606 -7.606 348 2HB SER 44 1HB SER 44 -4.593 -8.017 -8.017 349 HG SER 44 HG SER 44 -2.725 -7.027 -7.027 350 H ALA 45 H ALA 45 -4.901 -6.116 -6.116 351 HA ALA 45 HA ALA 45 -4.095 -3.461 -3.461 352 1HB ALA 45 2HB ALA 45 -4.926 -4.975 -4.975 353 2HB ALA 45 1HB ALA 45 -3.411 -5.870 -5.870 354 3HB ALA 45 3HB ALA 45 -3.418 -4.189 -4.189 355 H THR 46 H THR 46 -2.124 -6.272 -6.272 356 HA THR 46 HA THR 46 0.395 -5.003 -5.003 357 HB THR 46 HB THR 46 0.235 -7.408 -7.408 358 HG1 THR 46 HG1 THR 46 2.235 -6.474 -6.474 359 1HG2 THR 46 2HG2 THR 46 -0.810 -6.993 -6.993 360 2HG2 THR 46 1HG2 THR 46 0.253 -8.382 -8.382 361 3HG2 THR 46 3HG2 THR 46 -1.215 -8.238 -8.238 362 H THR 47 H THR 47 -1.543 -5.164 -5.164 363 HA THR 47 HA THR 47 0.546 -4.200 -4.200 364 HB THR 47 HB THR 47 -1.621 -5.193 -5.193 365 HG1 THR 47 HG1 THR 47 -0.211 -3.988 -3.988 366 1HG2 THR 47 1HG2 THR 47 -2.798 -3.042 -3.042 367 2HG2 THR 47 3HG2 THR 47 -3.107 -2.767 -2.767 368 3HG2 THR 47 2HG2 THR 47 -3.604 -4.276 -4.276 369 H VAL 48 H VAL 48 -1.710 -2.685 -2.685 370 HA VAL 48 HA VAL 48 -1.097 0.054 0.054 371 HB VAL 48 HB VAL 48 -2.160 -0.950 -0.950 372 1HG1 VAL 48 1HG1 VAL 48 -1.336 1.483 1.483 373 2HG1 VAL 48 3HG1 VAL 48 -2.794 1.646 1.646 374 3HG1 VAL 48 2HG1 VAL 48 -2.922 1.251 1.251 375 1HG2 VAL 48 2HG2 VAL 48 -3.433 -0.734 -0.734 376 2HG2 VAL 48 1HG2 VAL 48 -3.826 -1.804 -1.804 377 3HG2 VAL 48 3HG2 VAL 48 -4.370 -0.128 -0.128 378 H LYS 49 H LYS 49 0.077 -2.344 -2.344 379 HA LYS 49 HA LYS 49 1.830 -0.701 -0.701 380 1HB LYS 49 2HB LYS 49 1.128 -3.023 -3.023 381 2HB LYS 49 1HB LYS 49 2.158 -3.646 -3.646 382 1HG LYS 49 2HG LYS 49 4.104 -2.474 -2.474 383 2HG LYS 49 1HG LYS 49 3.044 -2.054 -2.054 384 1HD LYS 49 2HD LYS 49 4.058 -4.037 -4.037 385 2HD LYS 49 1HD LYS 49 2.530 -4.613 -4.613 386 1HE LYS 49 2HE LYS 49 3.664 -5.938 -5.938 387 2HE LYS 49 1HE LYS 49 4.406 -4.515 -4.515 388 1HZ LYS 49 3HZ LYS 49 5.456 -5.542 -5.542 389 2HZ LYS 49 2HZ LYS 49 5.875 -6.327 -6.327 390 3HZ LYS 49 1HZ LYS 49 6.254 -4.686 -4.686 391 H ALA 50 H ALA 50 2.071 -1.954 -1.954 392 HA ALA 50 HA ALA 50 4.984 -1.731 -1.731 393 1HB ALA 50 1HB ALA 50 2.861 -2.797 -2.797 394 2HB ALA 50 3HB ALA 50 3.979 -1.809 -1.809 395 3HB ALA 50 2HB ALA 50 4.584 -3.169 -3.169 396 H ILE 51 H ILE 51 2.169 0.233 0.233 397 HA ILE 51 HA ILE 51 3.756 2.200 2.200 398 HB ILE 51 HB ILE 51 1.727 3.574 3.574 399 1HG1 ILE 51 2HG1 ILE 51 0.156 1.517 1.517 400 2HG1 ILE 51 1HG1 ILE 51 1.238 2.480 2.480 401 1HG2 ILE 51 2HG2 ILE 51 2.047 1.462 1.462 402 2HG2 ILE 51 1HG2 ILE 51 0.856 0.720 0.720 403 3HG2 ILE 51 3HG2 ILE 51 0.424 2.144 2.144 404 1HD1 ILE 51 1HD1 ILE 51 -0.142 4.190 4.190 405 2HD1 ILE 51 3HD1 ILE 51 -1.302 3.238 3.238 406 3HD1 ILE 51 2HD1 ILE 51 -0.133 4.258 4.258 407 H CYS 52 H CYS 52 3.202 1.661 1.661 408 HA CYS 52 HA CYS 52 4.135 4.415 4.415 409 1HB CYS 52 2HB CYS 52 1.998 2.948 2.948 410 2HB CYS 52 1HB CYS 52 3.234 2.798 2.798 411 H THR 53 H THR 53 5.840 2.067 2.067 412 HA THR 53 HA THR 53 7.388 1.513 1.513 413 HB THR 53 HB THR 53 8.102 0.491 0.491 414 HG1 THR 53 HG1 THR 53 6.709 -1.232 -1.232 415 1HG2 THR 53 2HG2 THR 53 9.554 0.225 0.225 416 2HG2 THR 53 1HG2 THR 53 8.297 -0.864 -0.864 417 3HG2 THR 53 3HG2 THR 53 9.175 -1.248 -1.248 418 H GLY 54 H GLY 54 8.756 3.156 3.156 419 1HA GLY 54 2HA GLY 54 10.875 3.891 3.891 420 2HA GLY 54 1HA GLY 54 9.763 5.215 5.215 421 H VAL 55 H VAL 55 9.259 5.191 5.191 422 HA VAL 55 HA VAL 55 11.656 4.681 4.681 423 HB VAL 55 HB VAL 55 12.051 6.828 6.828 424 1HG1 VAL 55 3HG1 VAL 55 9.446 7.414 7.414 425 2HG1 VAL 55 2HG1 VAL 55 10.395 8.437 8.437 426 3HG1 VAL 55 1HG1 VAL 55 10.615 8.555 8.555 427 1HG2 VAL 55 2HG2 VAL 55 12.886 6.179 6.179 428 2HG2 VAL 55 1HG2 VAL 55 13.248 7.752 7.752 429 3HG2 VAL 55 3HG2 VAL 55 11.920 7.589 7.589 430 H ILE 56 H ILE 56 11.125 5.810 5.810 431 HA ILE 56 HA ILE 56 8.513 4.731 4.731 432 HB ILE 56 HB ILE 56 9.273 5.256 5.256 433 1HG1 ILE 56 2HG1 ILE 56 11.821 6.268 6.268 434 2HG1 ILE 56 1HG1 ILE 56 10.533 7.350 7.350 435 1HG2 ILE 56 2HG2 ILE 56 11.168 3.844 3.844 436 2HG2 ILE 56 1HG2 ILE 56 11.436 3.871 3.871 437 3HG2 ILE 56 3HG2 ILE 56 9.976 3.131 3.131 438 1HD1 ILE 56 3HD1 ILE 56 11.670 5.281 5.281 439 2HD1 ILE 56 2HD1 ILE 56 12.462 6.844 6.844 440 3HD1 ILE 56 1HD1 ILE 56 10.806 6.768 6.768 441 H ASN 57 H ASN 57 8.640 7.260 7.260 442 HA ASN 57 HA ASN 57 6.452 8.715 8.715 443 1HB ASN 57 2HB ASN 57 8.476 9.317 9.317 444 2HB ASN 57 1HB ASN 57 8.985 10.322 10.322 445 1HD2 ASN 57 2HD2 ASN 57 6.170 12.556 12.556 446 2HD2 ASN 57 1HD2 ASN 57 7.218 11.876 11.876 447 H MET 58 H MET 58 5.665 9.106 9.106 448 HA MET 58 HA MET 58 7.261 10.755 10.755 449 1HB MET 58 2HB MET 58 7.581 8.067 8.067 450 2HB MET 58 1HB MET 58 6.185 8.292 8.292 451 1HG MET 58 2HG MET 58 7.359 9.610 9.610 452 2HG MET 58 1HG MET 58 8.506 10.162 10.162 453 1HE MET 58 3HE MET 58 8.225 8.901 8.901 454 2HE MET 58 2HE MET 58 9.485 7.709 7.709 455 3HE MET 58 1HE MET 58 7.874 7.175 7.175 456 H ASN 59 H ASN 59 6.003 10.882 10.882 457 HA ASN 59 HA ASN 59 3.042 10.960 10.960 458 1HB ASN 59 2HB ASN 59 4.912 13.198 13.198 459 2HB ASN 59 1HB ASN 59 3.312 13.142 13.142 460 1HD2 ASN 59 2HD2 ASN 59 1.717 14.405 14.405 461 2HD2 ASN 59 1HD2 ASN 59 1.635 14.049 14.049 462 H VAL 60 H VAL 60 2.261 9.646 9.646 463 HA VAL 60 HA VAL 60 3.553 9.782 9.782 464 HB VAL 60 HB VAL 60 4.567 7.896 7.896 465 1HG1 VAL 60 1HG1 VAL 60 2.259 7.562 7.562 466 2HG1 VAL 60 3HG1 VAL 60 1.946 6.449 6.449 467 3HG1 VAL 60 2HG1 VAL 60 3.330 6.190 6.190 468 1HG2 VAL 60 3HG2 VAL 60 4.052 7.824 7.824 469 2HG2 VAL 60 2HG2 VAL 60 4.400 6.291 6.291 470 3HG2 VAL 60 1HG2 VAL 60 2.733 6.736 6.736 471 H LEU 61 H LEU 61 2.086 8.535 8.535 472 HA LEU 61 HA LEU 61 -0.782 8.611 8.611 473 1HB LEU 61 2HB LEU 61 0.298 9.818 9.818 474 2HB LEU 61 1HB LEU 61 -1.386 9.792 9.792 475 HG LEU 61 HG LEU 61 -0.466 11.006 11.006 476 1HD1 LEU 61 3HD1 LEU 61 1.864 10.906 10.906 477 2HD1 LEU 61 2HD1 LEU 61 1.439 12.564 12.564 478 3HD1 LEU 61 1HD1 LEU 61 1.765 11.384 11.384 479 1HD2 LEU 61 1HD2 LEU 61 -1.182 11.987 11.987 480 2HD2 LEU 61 3HD2 LEU 61 -1.921 12.349 12.349 481 3HD2 LEU 61 2HD2 LEU 61 -0.445 13.174 13.174 482 H SER 62 H SER 62 -1.690 6.679 6.679 483 HA SER 62 HA SER 62 -0.522 4.679 4.679 484 1HB SER 62 2HB SER 62 -3.339 4.269 4.269 485 2HB SER 62 1HB SER 62 -2.120 3.423 3.423 486 HG SER 62 HG SER 62 -3.403 4.305 4.305 487 H THR 63 H THR 63 -0.006 5.679 5.679 488 HA THR 63 HA THR 63 -2.105 7.080 7.080 489 HB THR 63 HB THR 63 -0.121 7.225 7.225 490 HG1 THR 63 HG1 THR 63 1.629 6.299 6.299 491 1HG2 THR 63 3HG2 THR 63 -0.267 8.576 8.576 492 2HG2 THR 63 2HG2 THR 63 0.920 9.051 9.051 493 3HG2 THR 63 1HG2 THR 63 -0.804 9.190 9.190 494 H THR 64 H THR 64 -0.467 3.966 3.966 495 HA THR 64 HA THR 64 -0.992 3.144 3.144 496 HB THR 64 HB THR 64 -1.020 1.418 1.418 497 HG1 THR 64 HG1 THR 64 0.900 2.595 2.595 498 1HG2 THR 64 3HG2 THR 64 -1.960 0.444 0.444 499 2HG2 THR 64 2HG2 THR 64 -0.339 0.626 0.626 500 3HG2 THR 64 1HG2 THR 64 -0.608 -0.434 -0.434 501 H ARG 65 H ARG 65 -2.918 1.821 1.821 502 HA ARG 65 HA ARG 65 -5.448 2.838 2.838 503 1HB ARG 65 2HB ARG 65 -4.578 1.145 1.145 504 2HB ARG 65 1HB ARG 65 -5.720 0.171 0.171 505 1HG ARG 65 2HG ARG 65 -7.501 1.571 1.571 506 2HG ARG 65 1HG ARG 65 -6.475 2.999 2.999 507 1HD ARG 65 2HD ARG 65 -6.023 0.861 0.861 508 2HD ARG 65 1HD ARG 65 -7.548 1.737 1.737 509 HE ARG 65 HE ARG 65 -5.597 3.715 3.715 510 1HH1 ARG 65 2HH1 ARG 65 -4.517 1.166 1.166 511 2HH1 ARG 65 1HH1 ARG 65 -4.551 1.887 1.887 512 1HH2 ARG 65 1HH2 ARG 65 -6.403 4.639 4.639 513 2HH2 ARG 65 2HH2 ARG 65 -5.620 3.855 3.855 514 H PHE 66 H PHE 66 -6.115 2.572 2.572 515 HA PHE 66 HA PHE 66 -6.166 -0.254 -0.254 516 1HB PHE 66 2HB PHE 66 -5.727 2.326 2.326 517 2HB PHE 66 1HB PHE 66 -5.955 0.736 0.736 518 HD1 PHE 66 HD1 PHE 66 -3.738 2.693 2.693 519 HD2 PHE 66 HD2 PHE 66 -4.131 -0.841 -0.841 520 HE1 PHE 66 HE1 PHE 66 -1.342 2.189 2.189 521 HE2 PHE 66 HE2 PHE 66 -1.736 -1.332 -1.332 522 HZ PHE 66 HZ PHE 66 -0.345 0.171 0.171 523 H GLN 67 H GLN 67 -8.195 0.058 0.058 524 HA GLN 67 HA GLN 67 -10.409 1.449 1.449 525 1HB GLN 67 2HB GLN 67 -10.054 -1.490 -1.490 526 2HB GLN 67 1HB GLN 67 -11.695 -0.858 -0.858 527 1HG GLN 67 2HG GLN 67 -11.684 0.036 0.036 528 2HG GLN 67 1HG GLN 67 -9.922 0.045 0.045 529 1HE2 GLN 67 2HE2 GLN 67 -9.859 -3.091 -3.091 530 2HE2 GLN 67 1HE2 GLN 67 -9.137 -1.572 -1.572 531 H LEU 68 H LEU 68 -11.806 2.441 2.441 532 HA LEU 68 HA LEU 68 -11.879 1.632 1.632 533 1HB LEU 68 2HB LEU 68 -12.942 3.792 3.792 534 2HB LEU 68 1HB LEU 68 -11.447 4.017 4.017 535 HG LEU 68 HG LEU 68 -13.025 3.945 3.945 536 1HD1 LEU 68 2HD1 LEU 68 -14.888 3.949 3.949 537 2HD1 LEU 68 1HD1 LEU 68 -15.131 5.362 5.362 538 3HD1 LEU 68 3HD1 LEU 68 -15.210 3.741 3.741 539 1HD2 LEU 68 2HD2 LEU 68 -11.804 5.953 5.953 540 2HD2 LEU 68 1HD2 LEU 68 -12.601 6.174 6.174 541 3HD2 LEU 68 3HD2 LEU 68 -13.480 6.495 6.495 542 H ASN 69 H ASN 69 -13.793 1.329 1.329 543 HA ASN 69 HA ASN 69 -16.255 0.754 0.754 544 1HB ASN 69 2HB ASN 69 -14.958 -1.193 -1.193 545 2HB ASN 69 1HB ASN 69 -15.773 -0.496 -0.496 546 1HD2 ASN 69 2HD2 ASN 69 -18.845 -1.991 -1.991 547 2HD2 ASN 69 1HD2 ASN 69 -17.863 -1.235 -1.235 548 H THR 70 H THR 70 -17.476 2.624 2.624 549 HA THR 70 HA THR 70 -17.430 3.689 3.689 550 HB THR 70 HB THR 70 -18.283 5.126 5.126 551 HG1 THR 70 HG1 THR 70 -16.247 5.980 5.980 552 1HG2 THR 70 3HG2 THR 70 -19.003 5.827 5.827 553 2HG2 THR 70 2HG2 THR 70 -17.341 6.405 6.405 554 3HG2 THR 70 1HG2 THR 70 -18.419 7.047 7.047 555 H CYS 71 H CYS 71 -19.173 3.553 3.553 556 HA CYS 71 HA CYS 71 -21.858 3.079 3.079 557 1HB CYS 71 2HB CYS 71 -21.014 2.687 2.687 558 2HB CYS 71 1HB CYS 71 -22.602 2.331 2.331 559 H THR 72 H THR 72 -22.737 5.107 5.107 560 HA THR 72 HA THR 72 -22.026 7.229 7.229 561 HB THR 72 HB THR 72 -23.197 7.636 7.636 562 HG1 THR 72 HG1 THR 72 -21.142 7.779 7.779 563 1HG2 THR 72 1HG2 THR 72 -21.797 9.429 9.429 564 2HG2 THR 72 3HG2 THR 72 -22.055 9.878 9.878 565 3HG2 THR 72 2HG2 THR 72 -23.437 9.594 9.594 566 H ARG 73 H ARG 73 -23.577 8.476 8.476 567 HA ARG 73 HA ARG 73 -26.196 7.408 7.408 568 1HB ARG 73 2HB ARG 73 -24.883 8.931 8.931 569 2HB ARG 73 1HB ARG 73 -25.322 10.263 10.263 570 1HG ARG 73 2HG ARG 73 -27.742 9.624 9.624 571 2HG ARG 73 1HG ARG 73 -27.212 8.470 8.470 572 1HD ARG 73 2HD ARG 73 -25.907 10.792 10.792 573 2HD ARG 73 1HD ARG 73 -27.457 11.393 11.393 574 HE ARG 73 HE ARG 73 -27.327 9.216 9.216 575 1HH1 ARG 73 2HH1 ARG 73 -29.556 11.066 11.066 576 2HH1 ARG 73 1HH1 ARG 73 -30.203 11.833 11.833 577 1HH2 ARG 73 1HH2 ARG 73 -27.675 10.719 10.719 578 2HH2 ARG 73 2HH2 ARG 73 -29.140 11.636 11.636 579 H THR 74 H THR 74 -28.080 7.762 7.762 580 HA THR 74 HA THR 74 -27.960 9.807 9.807 581 HB THR 74 HB THR 74 -29.791 8.261 8.261 582 HG1 THR 74 HG1 THR 74 -28.454 6.466 6.466 583 1HG2 THR 74 2HG2 THR 74 -26.836 7.929 7.929 584 2HG2 THR 74 1HG2 THR 74 -27.754 6.625 6.625 585 3HG2 THR 74 3HG2 THR 74 -27.874 8.266 8.266 586 H SER 75 H SER 75 -30.933 8.108 8.108 587 HA SER 75 HA SER 75 -31.980 10.672 10.672 588 1HB SER 75 2HB SER 75 -34.109 10.243 10.243 589 2HB SER 75 1HB SER 75 -32.783 10.392 10.392 590 HG SER 75 HG SER 75 -34.417 8.301 8.301 591 H ILE 76 H ILE 76 -33.322 10.430 10.430 592 HA ILE 76 HA ILE 76 -33.181 7.978 7.978 593 HB ILE 76 HB ILE 76 -33.303 10.196 10.196 594 1HG1 ILE 76 2HG1 ILE 76 -35.806 8.729 8.729 595 2HG1 ILE 76 1HG1 ILE 76 -34.229 7.963 7.963 596 1HG2 ILE 76 2HG2 ILE 76 -35.523 10.535 10.535 597 2HG2 ILE 76 1HG2 ILE 76 -36.130 10.654 10.654 598 3HG2 ILE 76 3HG2 ILE 76 -34.825 11.710 11.710 599 1HD1 ILE 76 3HD1 ILE 76 -35.008 10.678 10.678 600 2HD1 ILE 76 2HD1 ILE 76 -34.908 9.185 9.185 601 3HD1 ILE 76 1HD1 ILE 76 -33.450 9.880 9.880 602 H THR 77 H THR 77 -34.565 6.325 6.325 603 HA THR 77 HA THR 77 -37.347 6.336 6.336 604 HB THR 77 HB THR 77 -36.747 4.672 4.672 605 HG1 THR 77 HG1 THR 77 -35.748 6.114 6.114 606 1HG2 THR 77 1HG2 THR 77 -38.327 7.078 7.078 607 2HG2 THR 77 3HG2 THR 77 -37.911 6.904 6.904 608 3HG2 THR 77 2HG2 THR 77 -38.794 5.623 5.623 609 HA PRO 78 HA PRO 78 -35.858 1.855 1.855 610 1HB PRO 78 2HB PRO 78 -33.247 1.210 1.210 611 2HB PRO 78 1HB PRO 78 -34.534 1.165 1.165 612 1HG PRO 78 2HG PRO 78 -32.334 3.142 3.142 613 2HG PRO 78 1HG PRO 78 -33.236 2.702 2.702 614 1HD PRO 78 2HD PRO 78 -33.640 5.024 5.024 615 2HD PRO 78 1HD PRO 78 -34.682 4.433 4.433 616 H ARG 79 H ARG 79 -33.639 0.737 0.737 617 HA ARG 79 HA ARG 79 -32.609 2.706 2.706 618 1HB ARG 79 2HB ARG 79 -33.294 1.126 1.126 619 2HB ARG 79 1HB ARG 79 -34.582 2.084 2.084 620 1HG ARG 79 2HG ARG 79 -34.191 -0.454 -0.454 621 2HG ARG 79 1HG ARG 79 -34.566 -0.695 -0.695 622 1HD ARG 79 2HD ARG 79 -36.186 1.298 1.298 623 2HD ARG 79 1HD ARG 79 -36.512 -0.417 -0.417 624 HE ARG 79 HE ARG 79 -37.201 -0.573 -0.573 625 1HH1 ARG 79 1HH2 ARG 79 -35.407 1.287 1.287 626 2HH1 ARG 79 2HH2 ARG 79 -36.413 2.660 2.660 627 1HH2 ARG 79 2HH1 ARG 79 -38.864 1.731 1.731 628 2HH2 ARG 79 1HH1 ARG 79 -38.368 2.912 2.912 629 HA PRO 80 HA PRO 80 -31.567 2.242 2.242 630 1HB PRO 80 2HB PRO 80 -28.935 2.818 2.818 631 2HB PRO 80 1HB PRO 80 -29.804 1.433 1.433 632 1HG PRO 80 2HG PRO 80 -27.761 1.484 1.484 633 2HG PRO 80 1HG PRO 80 -28.140 0.194 0.194 634 1HD PRO 80 2HD PRO 80 -28.962 0.262 0.262 635 2HD PRO 80 1HD PRO 80 -29.663 -0.768 -0.768 636 H CYS 81 H CYS 81 -29.074 2.672 2.672 637 HA CYS 81 HA CYS 81 -30.056 5.450 5.450 638 1HB CYS 81 2HB CYS 81 -27.149 4.573 4.573 639 2HB CYS 81 1HB CYS 81 -27.737 6.199 6.199 640 HA PRO 82 HA PRO 82 -30.267 3.993 3.993 641 1HB PRO 82 2HB PRO 82 -30.199 6.370 6.370 642 2HB PRO 82 1HB PRO 82 -31.631 5.793 5.793 643 1HG PRO 82 2HG PRO 82 -29.664 7.909 7.909 644 2HG PRO 82 1HG PRO 82 -31.393 7.797 7.797 645 1HD PRO 82 2HD PRO 82 -29.365 7.172 7.172 646 2HD PRO 82 1HD PRO 82 -31.049 6.603 6.603 647 H TYR 83 H TYR 83 -28.565 3.107 3.107 648 HA TYR 83 HA TYR 83 -26.229 4.838 4.838 649 1HB TYR 83 2HB TYR 83 -26.122 2.339 2.339 650 2HB TYR 83 1HB TYR 83 -24.794 2.694 2.694 651 HD1 TYR 83 HD2 TYR 83 -26.876 4.274 4.274 652 HD2 TYR 83 HD1 TYR 83 -23.123 4.171 4.171 653 HE1 TYR 83 HE2 TYR 83 -25.952 5.943 5.943 654 HE2 TYR 83 HE1 TYR 83 -22.208 5.833 5.833 655 HH TYR 83 HH TYR 83 -22.577 6.716 6.716 656 H SER 84 H SER 84 -25.480 4.497 4.497 657 HA SER 84 HA SER 84 -26.476 2.081 2.081 658 1HB SER 84 2HB SER 84 -26.107 3.566 3.566 659 2HB SER 84 1HB SER 84 -27.424 4.069 4.069 660 HG SER 84 HG SER 84 -25.185 5.391 5.391 661 H SER 85 H SER 85 -24.865 0.686 0.686 662 HA SER 85 HA SER 85 -22.069 1.371 1.371 663 1HB SER 85 2HB SER 85 -23.031 -1.103 -1.103 664 2HB SER 85 1HB SER 85 -21.601 -0.909 -0.909 665 HG SER 85 HG SER 85 -24.315 -1.097 -1.097 666 H ARG 86 H ARG 86 -20.469 1.711 1.711 667 HA ARG 86 HA ARG 86 -21.130 1.569 1.569 668 1HB ARG 86 2HB ARG 86 -21.672 3.903 3.903 669 2HB ARG 86 1HB ARG 86 -19.927 4.092 4.092 670 1HG ARG 86 2HG ARG 86 -19.585 4.232 4.232 671 2HG ARG 86 1HG ARG 86 -20.884 3.096 3.096 672 1HD ARG 86 2HD ARG 86 -22.565 4.788 4.788 673 2HD ARG 86 1HD ARG 86 -21.360 5.918 5.918 674 HE ARG 86 HE ARG 86 -20.424 6.025 6.025 675 1HH1 ARG 86 2HH1 ARG 86 -22.196 3.473 3.473 676 2HH1 ARG 86 1HH1 ARG 86 -23.301 4.185 4.185 677 1HH2 ARG 86 1HH2 ARG 86 -22.405 7.445 7.445 678 2HH2 ARG 86 2HH2 ARG 86 -23.420 6.435 6.435 679 H THR 87 H THR 87 -19.179 1.663 1.663 680 HA THR 87 HA THR 87 -16.611 1.230 1.230 681 HB THR 87 HB THR 87 -17.423 -0.289 -0.289 682 HG1 THR 87 HG1 THR 87 -17.544 -1.056 -1.056 683 1HG2 THR 87 3HG2 THR 87 -14.951 0.072 0.072 684 2HG2 THR 87 2HG2 THR 87 -15.493 -1.540 -1.540 685 3HG2 THR 87 1HG2 THR 87 -15.332 -1.116 -1.116 686 H GLU 88 H GLU 88 -14.739 2.022 2.022 687 HA GLU 88 HA GLU 88 -14.889 3.129 3.129 688 1HB GLU 88 2HB GLU 88 -16.014 4.769 4.769 689 2HB GLU 88 1HB GLU 88 -14.329 5.216 5.216 690 1HG GLU 88 2HG GLU 88 -14.296 5.289 5.289 691 2HG GLU 88 1HG GLU 88 -16.024 5.573 5.573 692 H THR 89 H THR 89 -12.798 3.961 3.961 693 HA THR 89 HA THR 89 -10.476 2.625 2.625 694 HB THR 89 HB THR 89 -10.567 5.224 5.224 695 HG1 THR 89 HG1 THR 89 -11.233 4.044 4.044 696 1HG2 THR 89 3HG2 THR 89 -8.397 3.865 3.865 697 2HG2 THR 89 2HG2 THR 89 -8.469 3.259 3.259 698 3HG2 THR 89 1HG2 THR 89 -8.336 4.990 4.990 699 H ASN 90 H ASN 90 -9.335 3.074 3.074 700 HA ASN 90 HA ASN 90 -9.678 5.839 5.839 701 1HB ASN 90 2HB ASN 90 -10.931 4.259 4.259 702 2HB ASN 90 1HB ASN 90 -9.503 3.269 3.269 703 1HD2 ASN 90 2HD2 ASN 90 -9.166 6.971 6.971 704 2HD2 ASN 90 1HD2 ASN 90 -9.648 6.856 6.856 705 H TYR 91 H TYR 91 -7.922 6.838 6.838 706 HA TYR 91 HA TYR 91 -5.263 5.749 5.749 707 1HB TYR 91 2HB TYR 91 -4.558 8.155 8.155 708 2HB TYR 91 1HB TYR 91 -4.765 6.793 6.793 709 HD1 TYR 91 HD1 TYR 91 -6.578 9.731 9.731 710 HD2 TYR 91 HD2 TYR 91 -6.330 6.881 6.881 711 HE1 TYR 91 HE1 TYR 91 -8.317 10.985 10.985 712 HE2 TYR 91 HE2 TYR 91 -8.064 8.132 8.132 713 HH TYR 91 HH TYR 91 -9.979 10.545 10.545 714 H ILE 92 H ILE 92 -4.601 6.426 6.426 715 HA ILE 92 HA ILE 92 -6.244 8.615 8.615 716 HB ILE 92 HB ILE 92 -4.931 6.359 6.359 717 1HG1 ILE 92 2HG1 ILE 92 -7.659 5.758 5.758 718 2HG1 ILE 92 1HG1 ILE 92 -7.233 6.235 6.235 719 1HG2 ILE 92 3HG2 ILE 92 -6.896 8.516 8.516 720 2HG2 ILE 92 2HG2 ILE 92 -7.147 6.977 6.977 721 3HG2 ILE 92 1HG2 ILE 92 -5.634 7.858 7.858 722 1HD1 ILE 92 3HD1 ILE 92 -5.640 4.234 4.234 723 2HD1 ILE 92 2HD1 ILE 92 -6.907 3.777 3.777 724 3HD1 ILE 92 1HD1 ILE 92 -5.459 4.602 4.602 725 H CYS 93 H CYS 93 -5.338 9.771 9.771 726 HA CYS 93 HA CYS 93 -2.376 10.226 10.226 727 1HB CYS 93 2HB CYS 93 -3.744 12.273 12.273 728 2HB CYS 93 1HB CYS 93 -4.568 11.916 11.916 729 H VAL 94 H VAL 94 -1.359 8.897 8.897 730 HA VAL 94 HA VAL 94 -2.555 8.412 8.412 731 HB VAL 94 HB VAL 94 -1.543 6.201 6.201 732 1HG1 VAL 94 1HG1 VAL 94 -2.917 6.976 6.976 733 2HG1 VAL 94 3HG1 VAL 94 -2.661 5.313 5.313 734 3HG1 VAL 94 2HG1 VAL 94 -3.691 6.386 6.386 735 1HG2 VAL 94 1HG2 VAL 94 0.242 7.426 7.426 736 2HG2 VAL 94 3HG2 VAL 94 0.303 5.782 5.782 737 3HG2 VAL 94 2HG2 VAL 94 -0.579 6.128 6.128 738 H LYS 95 H LYS 95 -0.634 7.451 7.451 739 HA LYS 95 HA LYS 95 1.841 9.019 9.019 740 1HB LYS 95 2HB LYS 95 -0.138 9.352 9.352 741 2HB LYS 95 1HB LYS 95 1.583 9.573 9.573 742 1HG LYS 95 2HG LYS 95 1.693 11.209 11.209 743 2HG LYS 95 1HG LYS 95 -0.049 11.039 11.039 744 1HD LYS 95 2HD LYS 95 0.387 13.006 13.006 745 2HD LYS 95 1HD LYS 95 -0.370 11.772 11.772 746 1HE LYS 95 2HE LYS 95 1.630 11.273 11.273 747 2HE LYS 95 1HE LYS 95 2.631 11.958 11.958 748 1HZ LYS 95 1HZ LYS 95 1.467 14.141 14.141 749 2HZ LYS 95 3HZ LYS 95 1.055 13.358 13.358 750 3HZ LYS 95 2HZ LYS 95 2.688 13.564 13.564 751 H CYS 96 H CYS 96 3.640 8.079 8.079 752 HA CYS 96 HA CYS 96 3.078 5.312 5.312 753 1HB CYS 96 2HB CYS 96 5.802 6.095 6.095 754 2HB CYS 96 1HB CYS 96 4.995 4.533 4.533 755 H GLU 97 H GLU 97 3.318 5.048 5.048 756 HA GLU 97 HA GLU 97 5.654 6.284 6.284 757 1HB GLU 97 2HB GLU 97 3.664 7.425 7.425 758 2HB GLU 97 1HB GLU 97 2.868 5.883 5.883 759 1HG GLU 97 2HG GLU 97 4.243 5.389 5.389 760 2HG GLU 97 1HG GLU 97 5.556 6.409 6.409 761 H ASN 98 H ASN 98 6.749 4.692 4.692 762 HA ASN 98 HA ASN 98 7.415 2.458 2.458 763 1HB ASN 98 2HB ASN 98 4.434 2.402 2.402 764 2HB ASN 98 1HB ASN 98 5.259 0.848 0.848 765 1HD2 ASN 98 2HD2 ASN 98 6.281 3.213 3.213 766 2HD2 ASN 98 1HD2 ASN 98 5.977 3.951 3.951 767 H GLN 99 H GLN 99 6.635 3.516 3.516 768 HA GLN 99 HA GLN 99 6.998 2.848 2.848 769 1HB GLN 99 2HB GLN 99 7.686 0.183 0.183 770 2HB GLN 99 1HB GLN 99 7.774 0.476 0.476 771 1HG GLN 99 2HG GLN 99 9.141 2.640 2.640 772 2HG GLN 99 1HG GLN 99 9.535 1.464 1.464 773 1HE2 GLN 99 2HE2 GLN 99 12.104 0.341 0.341 774 2HE2 GLN 99 1HE2 GLN 99 11.712 1.057 1.057 775 H TYR 100 H TYR 100 4.466 1.647 1.647 776 HA TYR 100 HA TYR 100 3.161 0.540 0.540 777 1HB TYR 100 2HB TYR 100 2.080 -1.004 -1.004 778 2HB TYR 100 1HB TYR 100 3.243 -0.614 -0.614 779 HD1 TYR 100 HD2 TYR 100 -0.159 0.428 0.428 780 HD2 TYR 100 HD1 TYR 100 2.468 0.139 0.139 781 HE1 TYR 100 HE2 TYR 100 -2.010 1.166 1.166 782 HE2 TYR 100 HE1 TYR 100 0.611 0.862 0.862 783 HH TYR 100 HH TYR 100 -1.502 2.143 2.143 784 HA PRO 101 HA PRO 101 0.781 4.212 4.212 785 1HB PRO 101 2HB PRO 101 -1.692 3.201 3.201 786 2HB PRO 101 1HB PRO 101 -0.338 3.420 3.420 787 1HG PRO 101 2HG PRO 101 -1.303 0.904 0.904 788 2HG PRO 101 1HG PRO 101 -0.626 1.123 1.123 789 1HD PRO 101 2HD PRO 101 0.847 0.105 0.105 790 2HD PRO 101 1HD PRO 101 1.572 1.041 1.041 791 H VAL 102 H VAL 102 0.908 4.667 4.667 792 HA VAL 102 HA VAL 102 -1.066 3.539 3.539 793 HB VAL 102 HB VAL 102 1.101 5.639 5.639 794 1HG1 VAL 102 3HG1 VAL 102 -0.751 4.477 4.477 795 2HG1 VAL 102 2HG1 VAL 102 0.699 5.415 5.415 796 3HG1 VAL 102 1HG1 VAL 102 -0.647 6.168 6.168 797 1HG2 VAL 102 2HG2 VAL 102 1.407 2.972 2.972 798 2HG2 VAL 102 1HG2 VAL 102 2.440 3.960 3.960 799 3HG2 VAL 102 3HG2 VAL 102 1.092 3.075 3.075 800 H HIS 103 H HIS 103 -0.802 6.338 6.338 801 HA HIS 103 HA HIS 103 -3.259 7.408 7.408 802 1HB HIS 103 2HB HIS 103 -1.738 9.572 9.572 803 2HB HIS 103 1HB HIS 103 -2.248 9.393 9.393 804 HD1 HIS 103 HD1 HIS 103 -0.262 9.457 9.457 805 HD2 HIS 103 HD2 HIS 103 0.710 7.658 7.658 806 HE1 HIS 103 HE1 HIS 103 2.174 8.716 8.716 807 H PHE 104 H PHE 104 -4.883 7.678 7.678 808 HA PHE 104 HA PHE 104 -4.152 7.711 7.711 809 1HB PHE 104 2HB PHE 104 -5.837 5.893 5.893 810 2HB PHE 104 1HB PHE 104 -6.806 6.744 6.744 811 HD1 PHE 104 HD1 PHE 104 -3.264 5.491 5.491 812 HD2 PHE 104 HD2 PHE 104 -7.053 5.466 5.466 813 HE1 PHE 104 HE1 PHE 104 -2.322 4.036 4.036 814 HE2 PHE 104 HE2 PHE 104 -6.113 3.992 3.992 815 HZ PHE 104 HZ PHE 104 -3.748 3.267 3.267 816 H ALA 105 H ALA 105 -4.766 9.599 9.599 817 HA ALA 105 HA ALA 105 -6.737 11.339 11.339 818 1HB ALA 105 1HB ALA 105 -4.320 11.894 11.894 819 2HB ALA 105 3HB ALA 105 -5.492 12.412 12.412 820 3HB ALA 105 2HB ALA 105 -5.551 13.085 13.085 821 H GLY 106 H GLY 106 -6.310 9.571 9.571 822 1HA GLY 106 2HA GLY 106 -8.224 8.793 8.793 823 2HA GLY 106 1HA GLY 106 -9.176 10.106 10.106 824 H ILE 107 H ILE 107 -9.060 9.626 9.626 825 HA ILE 107 HA ILE 107 -8.760 10.748 10.748 826 HB ILE 107 HB ILE 107 -8.218 13.122 13.122 827 1HG1 ILE 107 2HG1 ILE 107 -10.854 12.152 12.152 828 2HG1 ILE 107 1HG1 ILE 107 -10.336 11.834 11.834 829 1HG2 ILE 107 3HG2 ILE 107 -7.965 12.978 12.978 830 2HG2 ILE 107 2HG2 ILE 107 -9.665 13.417 13.417 831 3HG2 ILE 107 1HG2 ILE 107 -8.422 14.443 14.443 832 1HD1 ILE 107 1HD1 ILE 107 -10.003 14.636 14.636 833 2HD1 ILE 107 3HD1 ILE 107 -11.625 14.168 14.168 834 3HD1 ILE 107 2HD1 ILE 107 -11.099 13.853 13.853 835 H GLY 108 H GLY 108 -7.065 10.539 10.539 836 1HA GLY 108 2HA GLY 108 -4.312 10.663 10.663 837 2HA GLY 108 1HA GLY 108 -4.794 10.218 10.218 838 H ARG 109 H ARG 109 -4.356 12.976 12.976 839 HA ARG 109 HA ARG 109 -3.314 14.631 14.631 840 1HB ARG 109 2HB ARG 109 -6.115 14.715 14.715 841 2HB ARG 109 1HB ARG 109 -5.422 16.219 16.219 842 1HG ARG 109 2HG ARG 109 -4.835 15.140 15.140 843 2HG ARG 109 1HG ARG 109 -6.155 16.264 16.264 844 1HD ARG 109 2HD ARG 109 -4.193 17.596 17.596 845 2HD ARG 109 1HD ARG 109 -3.208 16.728 16.728 846 HE ARG 109 HE ARG 109 -4.215 18.013 18.013 847 1HH1 ARG 109 1HH2 ARG 109 -6.944 18.071 18.071 848 2HH1 ARG 109 2HH2 ARG 109 -7.418 19.537 19.537 849 1HH2 ARG 109 2HH1 ARG 109 -4.320 20.052 20.052 850 2HH2 ARG 109 1HH1 ARG 109 -5.931 20.659 20.659 851 H CYS 110 H CYS 110 -1.480 14.924 14.924 852 HA CYS 110 HA CYS 110 -1.480 17.031 17.031 853 1HB CYS 110 2HB CYS 110 -1.036 15.742 15.742 854 2HB CYS 110 1HB CYS 110 -2.639 15.409 15.409 855 HA PRO 111 HA PRO 111 2.845 16.486 16.486 856 1HB PRO 111 2HB PRO 111 4.066 17.913 17.913 857 2HB PRO 111 1HB PRO 111 3.237 18.670 18.670 858 1HG PRO 111 2HG PRO 111 2.334 18.407 18.407 859 2HG PRO 111 1HG PRO 111 1.943 19.658 19.658 860 1HD PRO 111 1HD PRO 111 0.263 17.536 17.536 861 2HD PRO 111 2HD PRO 111 0.082 18.547 18.547 Start of MODEL 8 1 HN PCA 1 HN PCA 1 -2.057 4.470 4.470 2 HA PCA 1 HA PCA 1 -4.242 3.196 3.196 3 1HB PCA 1 1HB PCA 1 -5.144 3.502 3.502 4 2HB PCA 1 2HB PCA 1 -3.688 2.846 2.846 5 1HG PCA 1 1HG PCA 1 -4.494 5.611 5.611 6 2HG PCA 1 2HG PCA 1 -3.119 4.955 4.955 7 H ASN 2 H ASN 2 -4.194 0.943 0.943 8 HA ASN 2 HA ASN 2 -1.449 -0.218 -0.218 9 1HB ASN 2 2HB ASN 2 -2.687 -0.811 -0.811 10 2HB ASN 2 1HB ASN 2 -4.069 -1.331 -1.331 11 1HD2 ASN 2 2HD2 ASN 2 -2.830 -4.625 -4.625 12 2HD2 ASN 2 1HD2 ASN 2 -4.168 -3.588 -3.588 13 H TRP 3 H TRP 3 -1.330 -2.376 -2.376 14 HA TRP 3 HA TRP 3 -2.160 -2.029 -2.029 15 1HB TRP 3 2HB TRP 3 -0.358 -3.684 -3.684 16 2HB TRP 3 1HB TRP 3 -1.477 -4.787 -4.787 17 HD1 TRP 3 HD1 TRP 3 1.697 -3.439 -3.439 18 HE1 TRP 3 HE1 TRP 3 2.413 -3.406 -3.406 19 HE3 TRP 3 HE3 TRP 3 -2.887 -3.805 -3.805 20 HZ2 TRP 3 HZ2 TRP 3 1.255 -3.539 -3.539 21 HZ3 TRP 3 HZ3 TRP 3 -3.014 -3.874 -3.874 22 HH2 TRP 3 HH2 TRP 3 -0.946 -3.741 -3.741 23 H ALA 4 H ALA 4 -3.663 -3.670 -3.670 24 HA ALA 4 HA ALA 4 -5.380 -5.426 -5.426 25 1HB ALA 4 1HB ALA 4 -4.628 -5.308 -5.308 26 2HB ALA 4 3HB ALA 4 -6.308 -4.777 -4.777 27 3HB ALA 4 2HB ALA 4 -5.903 -6.339 -6.339 28 H THR 5 H THR 5 -6.207 -2.644 -2.644 29 HA THR 5 HA THR 5 -8.868 -2.294 -2.294 30 HB THR 5 HB THR 5 -8.295 0.206 0.206 31 HG1 THR 5 HG1 THR 5 -6.051 -0.310 -0.310 32 1HG2 THR 5 1HG2 THR 5 -9.575 -1.937 -1.937 33 2HG2 THR 5 3HG2 THR 5 -8.296 -1.681 -1.681 34 3HG2 THR 5 2HG2 THR 5 -9.419 -0.377 -0.377 35 H PHE 6 H PHE 6 -5.709 -1.133 -1.133 36 HA PHE 6 HA PHE 6 -6.682 0.644 0.644 37 1HB PHE 6 2HB PHE 6 -4.436 0.886 0.886 38 2HB PHE 6 1HB PHE 6 -3.965 -0.593 -0.593 39 HD1 PHE 6 HD1 PHE 6 -4.193 -0.696 -0.696 40 HD2 PHE 6 HD2 PHE 6 -4.434 3.003 3.003 41 HE1 PHE 6 HE1 PHE 6 -3.803 0.555 0.555 42 HE2 PHE 6 HE2 PHE 6 -4.053 4.264 4.264 43 HZ PHE 6 HZ PHE 6 -3.745 3.035 3.035 44 H GLN 7 H GLN 7 -5.966 -2.767 -2.767 45 HA GLN 7 HA GLN 7 -5.640 -3.512 -3.512 46 1HB GLN 7 2HB GLN 7 -5.555 -5.128 -5.128 47 2HB GLN 7 1HB GLN 7 -7.317 -5.056 -5.056 48 1HG GLN 7 2HG GLN 7 -7.310 -5.729 -5.729 49 2HG GLN 7 1HG GLN 7 -5.587 -6.056 -6.056 50 1HE2 GLN 7 2HE2 GLN 7 -6.065 -9.078 -9.078 51 2HE2 GLN 7 1HE2 GLN 7 -4.947 -7.926 -7.926 52 H GLN 8 H GLN 8 -8.457 -2.572 -2.572 53 HA GLN 8 HA GLN 8 -10.373 -3.121 -3.121 54 1HB GLN 8 2HB GLN 8 -10.432 -2.039 -2.039 55 2HB GLN 8 1HB GLN 8 -11.618 -1.330 -1.330 56 1HG GLN 8 2HG GLN 8 -12.793 -3.175 -3.175 57 2HG GLN 8 1HG GLN 8 -12.048 -3.845 -3.845 58 1HE2 GLN 8 2HE2 GLN 8 -11.198 -5.519 -5.519 59 2HE2 GLN 8 1HE2 GLN 8 -12.495 -4.453 -4.453 60 H LYS 9 H LYS 9 -8.659 -0.339 -0.339 61 HA LYS 9 HA LYS 9 -9.720 1.830 1.830 62 1HB LYS 9 2HB LYS 9 -7.869 1.966 1.966 63 2HB LYS 9 1HB LYS 9 -6.747 1.368 1.368 64 1HG LYS 9 2HG LYS 9 -6.458 3.633 3.633 65 2HG LYS 9 1HG LYS 9 -7.800 3.379 3.379 66 1HD LYS 9 2HD LYS 9 -8.354 4.007 4.007 67 2HD LYS 9 1HD LYS 9 -7.953 5.310 5.310 68 1HE LYS 9 2HE LYS 9 -9.794 3.959 3.959 69 2HE LYS 9 1HE LYS 9 -10.395 3.636 3.636 70 1HZ LYS 9 1HZ LYS 9 -10.046 6.139 6.139 71 2HZ LYS 9 3HZ LYS 9 -10.019 6.231 6.231 72 3HZ LYS 9 2HZ LYS 9 -11.395 5.630 5.630 73 H HIS 10 H HIS 10 -7.091 -0.208 -0.208 74 HA HIS 10 HA HIS 10 -7.605 0.990 0.990 75 1HB HIS 10 2HB HIS 10 -5.252 -0.191 -0.191 76 2HB HIS 10 1HB HIS 10 -5.547 -0.892 -0.892 77 HD1 HIS 10 HD1 HIS 10 -6.359 1.308 1.308 78 HD2 HIS 10 HD2 HIS 10 -3.481 1.869 1.869 79 HE1 HIS 10 HE1 HIS 10 -4.921 3.253 3.253 80 H ILE 11 H ILE 11 -8.386 -1.897 -1.897 81 HA ILE 11 HA ILE 11 -9.289 -3.106 -3.106 82 HB ILE 11 HB ILE 11 -7.894 -4.699 -4.699 83 1HG1 ILE 11 2HG1 ILE 11 -6.369 -3.005 -3.005 84 2HG1 ILE 11 1HG1 ILE 11 -5.896 -4.670 -4.670 85 1HG2 ILE 11 1HG2 ILE 11 -9.338 -5.363 -5.363 86 2HG2 ILE 11 3HG2 ILE 11 -7.684 -5.976 -5.976 87 3HG2 ILE 11 2HG2 ILE 11 -8.755 -6.421 -6.421 88 1HD1 ILE 11 3HD1 ILE 11 -7.728 -3.655 -3.655 89 2HD1 ILE 11 2HD1 ILE 11 -6.252 -2.697 -2.697 90 3HD1 ILE 11 1HD1 ILE 11 -6.157 -4.430 -4.430 91 H ILE 12 H ILE 12 -11.460 -2.595 -2.595 92 HA ILE 12 HA ILE 12 -12.636 -4.152 -4.152 93 HB ILE 12 HB ILE 12 -14.003 -2.241 -2.241 94 1HG1 ILE 12 2HG1 ILE 12 -12.227 -1.091 -1.091 95 2HG1 ILE 12 1HG1 ILE 12 -13.844 -0.532 -0.532 96 1HG2 ILE 12 3HG2 ILE 12 -15.406 -3.935 -3.935 97 2HG2 ILE 12 2HG2 ILE 12 -14.882 -3.212 -3.212 98 3HG2 ILE 12 1HG2 ILE 12 -15.825 -2.263 -2.263 99 1HD1 ILE 12 2HD1 ILE 12 -13.850 -2.091 -2.091 100 2HD1 ILE 12 1HD1 ILE 12 -12.206 -2.579 -2.579 101 3HD1 ILE 12 3HD1 ILE 12 -12.533 -0.922 -0.922 102 H ASN 13 H ASN 13 -11.799 -5.996 -5.996 103 HA ASN 13 HA ASN 13 -12.992 -6.530 -6.530 104 1HB ASN 13 2HB ASN 13 -12.072 -8.795 -8.795 105 2HB ASN 13 1HB ASN 13 -10.887 -7.575 -7.575 106 1HD2 ASN 13 2HD2 ASN 13 -11.249 -10.380 -10.380 107 2HD2 ASN 13 1HD2 ASN 13 -11.183 -10.463 -10.463 108 H THR 14 H THR 14 -15.217 -6.152 -6.152 109 HA THR 14 HA THR 14 -16.763 -8.542 -8.542 110 HB THR 14 HB THR 14 -18.281 -7.023 -7.023 111 HG1 THR 14 HG1 THR 14 -17.198 -5.124 -5.124 112 1HG2 THR 14 2HG2 THR 14 -16.329 -8.973 -8.973 113 2HG2 THR 14 1HG2 THR 14 -15.957 -7.685 -7.685 114 3HG2 THR 14 3HG2 THR 14 -17.557 -8.421 -8.421 115 HA PRO 15 HA PRO 15 -18.196 -5.497 -5.497 116 1HB PRO 15 2HB PRO 15 -17.909 -7.178 -7.178 117 2HB PRO 15 1HB PRO 15 -16.655 -6.060 -6.060 118 1HG PRO 15 2HG PRO 15 -16.808 -9.020 -9.020 119 2HG PRO 15 1HG PRO 15 -15.385 -7.968 -7.968 120 1HD PRO 15 2HD PRO 15 -16.522 -9.091 -9.091 121 2HD PRO 15 1HD PRO 15 -15.344 -7.763 -7.763 122 H ILE 16 H ILE 16 -20.211 -5.848 -5.848 123 HA ILE 16 HA ILE 16 -22.019 -7.765 -7.765 124 HB ILE 16 HB ILE 16 -23.197 -8.051 -8.051 125 1HG1 ILE 16 2HG1 ILE 16 -20.561 -6.979 -6.979 126 2HG1 ILE 16 1HG1 ILE 16 -22.076 -6.079 -6.079 127 1HG2 ILE 16 2HG2 ILE 16 -20.364 -9.057 -9.057 128 2HG2 ILE 16 1HG2 ILE 16 -21.483 -9.705 -9.705 129 3HG2 ILE 16 3HG2 ILE 16 -21.852 -9.848 -9.848 130 1HD1 ILE 16 2HD1 ILE 16 -21.654 -8.778 -8.778 131 2HD1 ILE 16 1HD1 ILE 16 -21.633 -7.233 -7.233 132 3HD1 ILE 16 3HD1 ILE 16 -23.117 -7.798 -7.798 133 H ILE 17 H ILE 17 -24.411 -7.062 -7.062 134 HA ILE 17 HA ILE 17 -24.650 -4.193 -4.193 135 HB ILE 17 HB ILE 17 -27.065 -4.732 -4.732 136 1HG1 ILE 17 2HG1 ILE 17 -26.601 -7.647 -7.647 137 2HG1 ILE 17 1HG1 ILE 17 -26.570 -6.769 -6.769 138 1HG2 ILE 17 3HG2 ILE 17 -24.968 -6.426 -6.426 139 2HG2 ILE 17 2HG2 ILE 17 -26.667 -6.554 -6.554 140 3HG2 ILE 17 1HG2 ILE 17 -25.820 -5.017 -5.017 141 1HD1 ILE 17 3HD1 ILE 17 -28.748 -5.637 -5.637 142 2HD1 ILE 17 2HD1 ILE 17 -28.815 -7.000 -7.000 143 3HD1 ILE 17 1HD1 ILE 17 -28.846 -7.283 -7.283 144 H ASN 18 H ASN 18 -23.676 -4.997 -4.997 145 HA ASN 18 HA ASN 18 -25.649 -3.491 -3.491 146 1HB ASN 18 2HB ASN 18 -24.449 -6.151 -6.151 147 2HB ASN 18 1HB ASN 18 -25.535 -5.140 -5.140 148 1HD2 ASN 18 2HD2 ASN 18 -28.436 -6.000 -6.000 149 2HD2 ASN 18 1HD2 ASN 18 -27.765 -4.751 -4.751 150 H CYS 19 H CYS 19 -24.195 -1.757 -1.757 151 HA CYS 19 HA CYS 19 -21.378 -2.181 -2.181 152 1HB CYS 19 2HB CYS 19 -22.871 0.461 0.461 153 2HB CYS 19 1HB CYS 19 -21.134 0.202 0.202 154 H ASN 20 H ASN 20 -24.217 -2.265 -2.265 155 HA ASN 20 HA ASN 20 -23.245 -0.803 -0.803 156 1HB ASN 20 2HB ASN 20 -25.265 -1.868 -1.868 157 2HB ASN 20 1HB ASN 20 -25.622 -0.844 -0.844 158 1HD2 ASN 20 2HD2 ASN 20 -26.445 -4.834 -4.834 159 2HD2 ASN 20 1HD2 ASN 20 -25.647 -4.164 -4.164 160 H THR 21 H THR 21 -23.781 -4.286 -4.286 161 HA THR 21 HA THR 21 -22.757 -5.234 -5.234 162 HB THR 21 HB THR 21 -22.681 -6.734 -6.734 163 HG1 THR 21 HG1 THR 21 -24.772 -7.329 -7.329 164 1HG2 THR 21 1HG2 THR 21 -21.848 -7.424 -7.424 165 2HG2 THR 21 3HG2 THR 21 -23.410 -8.213 -8.213 166 3HG2 THR 21 2HG2 THR 21 -22.099 -8.518 -8.518 167 H ILE 22 H ILE 22 -21.099 -4.005 -4.005 168 HA ILE 22 HA ILE 22 -18.550 -5.278 -5.278 169 HB ILE 22 HB ILE 22 -17.610 -4.022 -4.022 170 1HG1 ILE 22 2HG1 ILE 22 -20.428 -2.970 -2.970 171 2HG1 ILE 22 1HG1 ILE 22 -19.104 -2.008 -2.008 172 1HG2 ILE 22 1HG2 ILE 22 -20.221 -5.483 -5.483 173 2HG2 ILE 22 3HG2 ILE 22 -19.096 -5.064 -5.064 174 3HG2 ILE 22 2HG2 ILE 22 -18.597 -6.167 -6.167 175 1HD1 ILE 22 3HD1 ILE 22 -17.915 -2.974 -2.974 176 2HD1 ILE 22 2HD1 ILE 22 -19.589 -2.910 -2.910 177 3HD1 ILE 22 1HD1 ILE 22 -18.799 -1.448 -1.448 178 H MET 23 H MET 23 -20.064 -2.071 -2.071 179 HA MET 23 HA MET 23 -17.656 -0.973 -0.973 180 1HB MET 23 2HB MET 23 -18.794 1.177 1.177 181 2HB MET 23 1HB MET 23 -18.898 0.403 0.403 182 1HG MET 23 2HG MET 23 -21.186 -0.509 -0.509 183 2HG MET 23 1HG MET 23 -21.063 0.752 0.752 184 1HE MET 23 1HE MET 23 -22.339 2.342 2.342 185 2HE MET 23 3HE MET 23 -21.243 3.589 3.589 186 3HE MET 23 2HE MET 23 -22.837 3.378 3.378 187 H ASP 24 H ASP 24 -19.870 -2.996 -2.996 188 HA ASP 24 HA ASP 24 -21.021 -1.678 -1.678 189 1HB ASP 24 2HB ASP 24 -20.538 -4.544 -4.544 190 2HB ASP 24 1HB ASP 24 -21.045 -4.181 -4.181 191 H ASN 25 H ASN 25 -19.311 -0.488 -0.488 192 HA ASN 25 HA ASN 25 -17.753 -1.875 -1.875 193 1HB ASN 25 2HB ASN 25 -16.427 -2.388 -2.388 194 2HB ASN 25 1HB ASN 25 -16.196 -0.670 -0.670 195 1HD2 ASN 25 2HD2 ASN 25 -13.181 -1.219 -1.219 196 2HD2 ASN 25 1HD2 ASN 25 -13.840 -0.979 -0.979 197 H ASN 26 H ASN 26 -16.763 -0.387 -0.387 198 HA ASN 26 HA ASN 26 -17.937 2.273 2.273 199 1HB ASN 26 2HB ASN 26 -15.623 1.158 1.158 200 2HB ASN 26 1HB ASN 26 -16.600 2.569 2.569 201 1HD2 ASN 26 2HD2 ASN 26 -17.856 -0.924 -0.924 202 2HD2 ASN 26 1HD2 ASN 26 -16.252 -0.545 -0.545 203 H ILE 27 H ILE 27 -15.247 1.030 1.030 204 HA ILE 27 HA ILE 27 -13.724 3.551 3.551 205 HB ILE 27 HB ILE 27 -12.944 0.951 0.951 206 1HG1 ILE 27 2HG1 ILE 27 -11.537 2.856 2.856 207 2HG1 ILE 27 1HG1 ILE 27 -10.722 1.847 1.847 208 1HG2 ILE 27 3HG2 ILE 27 -13.873 1.059 1.059 209 2HG2 ILE 27 2HG2 ILE 27 -12.408 1.979 1.979 210 3HG2 ILE 27 1HG2 ILE 27 -12.292 0.332 0.332 211 1HD1 ILE 27 1HD1 ILE 27 -11.667 3.452 3.452 212 2HD1 ILE 27 3HD1 ILE 27 -12.059 4.524 4.524 213 3HD1 ILE 27 2HD1 ILE 27 -10.381 4.082 4.082 214 H TYR 28 H TYR 28 -16.525 2.975 2.975 215 HA TYR 28 HA TYR 28 -15.862 4.625 4.625 216 1HB TYR 28 2HB TYR 28 -17.322 1.979 1.979 217 2HB TYR 28 1HB TYR 28 -17.636 3.164 3.164 218 HD1 TYR 28 HD2 TYR 28 -15.361 4.277 4.277 219 HD2 TYR 28 HD1 TYR 28 -15.713 0.378 0.378 220 HE1 TYR 28 HE2 TYR 28 -13.323 3.549 3.549 221 HE2 TYR 28 HE1 TYR 28 -13.666 -0.346 -0.346 222 HH TYR 28 HH TYR 28 -12.448 1.067 1.067 223 H ILE 29 H ILE 29 -16.914 6.005 6.005 224 HA ILE 29 HA ILE 29 -19.738 6.475 6.475 225 HB ILE 29 HB ILE 29 -19.012 6.132 6.132 226 1HG1 ILE 29 2HG1 ILE 29 -20.499 4.207 4.207 227 2HG1 ILE 29 1HG1 ILE 29 -18.861 3.964 3.964 228 1HG2 ILE 29 2HG2 ILE 29 -21.435 6.899 6.899 229 2HG2 ILE 29 1HG2 ILE 29 -21.686 5.866 5.866 230 3HG2 ILE 29 3HG2 ILE 29 -20.907 7.435 7.435 231 1HD1 ILE 29 1HD1 ILE 29 -20.881 4.578 4.578 232 2HD1 ILE 29 3HD1 ILE 29 -21.068 3.020 3.020 233 3HD1 ILE 29 2HD1 ILE 29 -19.559 3.414 3.414 234 H VAL 30 H VAL 30 -20.442 8.558 8.558 235 HA VAL 30 HA VAL 30 -18.382 10.485 10.485 236 HB VAL 30 HB VAL 30 -19.080 10.526 10.526 237 1HG1 VAL 30 1HG1 VAL 30 -21.528 10.371 10.371 238 2HG1 VAL 30 3HG1 VAL 30 -21.464 12.012 12.012 239 3HG1 VAL 30 2HG1 VAL 30 -21.076 11.712 11.712 240 1HG2 VAL 30 1HG2 VAL 30 -18.245 12.501 12.501 241 2HG2 VAL 30 3HG2 VAL 30 -18.178 12.578 12.578 242 3HG2 VAL 30 2HG2 VAL 30 -19.559 13.259 13.259 243 H GLY 31 H GLY 31 -20.201 12.703 12.703 244 1HA GLY 31 2HA GLY 31 -21.622 11.653 11.653 245 2HA GLY 31 1HA GLY 31 -21.194 13.334 13.334 246 H GLY 32 H GLY 32 -23.294 10.804 10.804 247 1HA GLY 32 2HA GLY 32 -25.669 12.405 12.405 248 2HA GLY 32 1HA GLY 32 -25.114 12.446 12.446 249 H GLN 33 H GLN 33 -24.530 10.197 10.197 250 HA GLN 33 HA GLN 33 -25.872 7.840 7.840 251 1HB GLN 33 2HB GLN 33 -27.090 9.402 9.402 252 2HB GLN 33 1HB GLN 33 -27.306 7.655 7.655 253 1HG GLN 33 2HG GLN 33 -27.998 8.194 8.194 254 2HG GLN 33 1HG GLN 33 -28.292 9.813 9.813 255 1HE2 GLN 33 2HE2 GLN 33 -30.725 6.723 6.723 256 2HE2 GLN 33 1HE2 GLN 33 -29.253 6.393 6.393 257 H CYS 34 H CYS 34 -25.173 9.131 9.131 258 HA CYS 34 HA CYS 34 -22.911 7.219 7.219 259 1HB CYS 34 2HB CYS 34 -23.728 6.679 6.679 260 2HB CYS 34 1HB CYS 34 -24.811 6.099 6.099 261 H LYS 35 H LYS 35 -21.246 8.036 8.036 262 HA LYS 35 HA LYS 35 -20.978 10.876 10.876 263 1HB LYS 35 2HB LYS 35 -19.460 8.509 8.509 264 2HB LYS 35 1HB LYS 35 -19.151 10.049 10.049 265 1HG LYS 35 2HG LYS 35 -18.956 10.998 10.998 266 2HG LYS 35 1HG LYS 35 -18.743 9.312 9.312 267 1HD LYS 35 2HD LYS 35 -16.542 9.745 9.745 268 2HD LYS 35 1HD LYS 35 -17.027 9.437 9.437 269 1HE LYS 35 2HE LYS 35 -16.698 11.593 11.593 270 2HE LYS 35 1HE LYS 35 -17.574 12.193 12.193 271 1HZ LYS 35 1HZ LYS 35 -15.444 11.418 11.418 272 2HZ LYS 35 3HZ LYS 35 -14.720 11.565 11.565 273 3HZ LYS 35 2HZ LYS 35 -15.464 12.914 12.914 274 H ARG 36 H ARG 36 -20.186 11.665 11.665 275 HA ARG 36 HA ARG 36 -22.669 11.571 11.571 276 1HB ARG 36 2HB ARG 36 -20.132 13.222 13.222 277 2HB ARG 36 1HB ARG 36 -21.508 13.358 13.358 278 1HG ARG 36 2HG ARG 36 -22.759 13.560 13.560 279 2HG ARG 36 1HG ARG 36 -21.207 14.318 14.318 280 1HD ARG 36 2HD ARG 36 -23.017 15.062 15.062 281 2HD ARG 36 1HD ARG 36 -22.840 15.983 15.983 282 HE ARG 36 HE ARG 36 -20.251 15.636 15.636 283 1HH1 ARG 36 1HH2 ARG 36 -22.437 16.261 16.261 284 2HH1 ARG 36 2HH2 ARG 36 -22.098 17.946 17.946 285 1HH2 ARG 36 2HH1 ARG 36 -20.156 18.207 18.207 286 2HH2 ARG 36 1HH1 ARG 36 -20.810 19.046 19.046 287 H VAL 37 H VAL 37 -19.418 10.273 10.273 288 HA VAL 37 HA VAL 37 -20.057 8.799 8.799 289 HB VAL 37 HB VAL 37 -17.423 10.271 10.271 290 1HG1 VAL 37 3HG1 VAL 37 -17.954 8.228 8.228 291 2HG1 VAL 37 2HG1 VAL 37 -18.817 9.425 9.425 292 3HG1 VAL 37 1HG1 VAL 37 -17.091 9.618 9.618 293 1HG2 VAL 37 3HG2 VAL 37 -19.988 11.218 11.218 294 2HG2 VAL 37 2HG2 VAL 37 -19.095 12.027 12.027 295 3HG2 VAL 37 1HG2 VAL 37 -18.403 11.909 11.909 296 H ASN 38 H ASN 38 -19.895 6.799 6.799 297 HA ASN 38 HA ASN 38 -17.556 6.175 6.175 298 1HB ASN 38 2HB ASN 38 -19.781 4.258 4.258 299 2HB ASN 38 1HB ASN 38 -18.647 4.092 4.092 300 1HD2 ASN 38 2HD2 ASN 38 -20.541 7.150 7.150 301 2HD2 ASN 38 1HD2 ASN 38 -19.043 7.113 7.113 302 H THR 39 H THR 39 -16.070 6.494 6.494 303 HA THR 39 HA THR 39 -16.215 4.783 4.783 304 HB THR 39 HB THR 39 -13.883 6.495 6.495 305 HG1 THR 39 HG1 THR 39 -14.903 8.178 8.178 306 1HG2 THR 39 1HG2 THR 39 -13.832 4.800 4.800 307 2HG2 THR 39 3HG2 THR 39 -14.850 5.984 5.984 308 3HG2 THR 39 2HG2 THR 39 -13.238 6.439 6.439 309 H PHE 40 H PHE 40 -15.620 2.727 2.727 310 HA PHE 40 HA PHE 40 -13.456 1.850 1.850 311 1HB PHE 40 2HB PHE 40 -15.523 0.191 0.191 312 2HB PHE 40 1HB PHE 40 -14.445 -0.375 -0.375 313 HD1 PHE 40 HD1 PHE 40 -14.517 1.397 1.397 314 HD2 PHE 40 HD2 PHE 40 -17.730 0.437 0.437 315 HE1 PHE 40 HE1 PHE 40 -16.165 2.072 2.072 316 HE2 PHE 40 HE2 PHE 40 -19.375 1.118 1.118 317 HZ PHE 40 HZ PHE 40 -18.592 1.934 1.934 318 H ILE 41 H ILE 41 -11.929 0.090 0.090 319 HA ILE 41 HA ILE 41 -11.621 0.646 0.646 320 HB ILE 41 HB ILE 41 -9.389 0.369 0.369 321 1HG1 ILE 41 2HG1 ILE 41 -10.611 2.499 2.499 322 2HG1 ILE 41 1HG1 ILE 41 -9.010 2.776 2.776 323 1HG2 ILE 41 3HG2 ILE 41 -9.442 0.840 0.840 324 2HG2 ILE 41 2HG2 ILE 41 -8.041 1.247 1.247 325 3HG2 ILE 41 1HG2 ILE 41 -8.592 -0.425 -0.425 326 1HD1 ILE 41 3HD1 ILE 41 -10.550 2.382 2.382 327 2HD1 ILE 41 2HD1 ILE 41 -11.656 3.247 3.247 328 3HD1 ILE 41 1HD1 ILE 41 -10.095 3.955 3.955 329 H ILE 42 H ILE 42 -11.596 -1.142 -1.142 330 HA ILE 42 HA ILE 42 -11.069 -3.780 -3.780 331 HB ILE 42 HB ILE 42 -13.332 -3.554 -3.554 332 1HG1 ILE 42 2HG1 ILE 42 -12.043 -5.363 -5.363 333 2HG1 ILE 42 1HG1 ILE 42 -11.646 -5.664 -5.664 334 1HG2 ILE 42 3HG2 ILE 42 -12.743 -1.896 -1.896 335 2HG2 ILE 42 2HG2 ILE 42 -11.907 -3.169 -3.169 336 3HG2 ILE 42 1HG2 ILE 42 -13.649 -3.264 -3.264 337 1HD1 ILE 42 2HD1 ILE 42 -14.371 -5.261 -5.261 338 2HD1 ILE 42 1HD1 ILE 42 -14.178 -6.095 -6.095 339 3HD1 ILE 42 3HD1 ILE 42 -13.583 -6.838 -6.838 340 H SER 43 H SER 43 -9.300 -4.851 -4.851 341 HA SER 43 HA SER 43 -8.168 -5.187 -5.187 342 1HB SER 43 2HB SER 43 -7.694 -2.785 -2.785 343 2HB SER 43 1HB SER 43 -6.955 -2.830 -2.830 344 HG SER 43 HG SER 43 -6.027 -3.837 -3.837 345 H SER 44 H SER 44 -5.991 -6.233 -6.233 346 HA SER 44 HA SER 44 -5.745 -7.956 -7.956 347 1HB SER 44 2HB SER 44 -3.251 -8.097 -8.097 348 2HB SER 44 1HB SER 44 -4.620 -8.859 -8.859 349 HG SER 44 HG SER 44 -4.021 -7.664 -7.664 350 H ALA 45 H ALA 45 -5.208 -7.453 -7.453 351 HA ALA 45 HA ALA 45 -4.559 -5.075 -5.075 352 1HB ALA 45 2HB ALA 45 -5.093 -7.106 -7.106 353 2HB ALA 45 1HB ALA 45 -3.488 -7.747 -7.747 354 3HB ALA 45 3HB ALA 45 -3.663 -6.307 -6.307 355 H THR 46 H THR 46 -1.918 -7.446 -7.446 356 HA THR 46 HA THR 46 0.132 -5.592 -5.592 357 HB THR 46 HB THR 46 0.569 -7.927 -7.927 358 HG1 THR 46 HG1 THR 46 2.054 -6.914 -6.914 359 1HG2 THR 46 1HG2 THR 46 -0.545 -7.890 -7.890 360 2HG2 THR 46 3HG2 THR 46 0.897 -8.892 -8.892 361 3HG2 THR 46 2HG2 THR 46 -0.506 -9.201 -9.201 362 H THR 47 H THR 47 -1.539 -6.078 -6.078 363 HA THR 47 HA THR 47 0.374 -4.867 -4.867 364 HB THR 47 HB THR 47 -2.655 -4.696 -4.696 365 HG1 THR 47 HG1 THR 47 -0.809 -6.569 -6.569 366 1HG2 THR 47 1HG2 THR 47 -1.049 -3.215 -3.215 367 2HG2 THR 47 3HG2 THR 47 -0.672 -4.728 -4.728 368 3HG2 THR 47 2HG2 THR 47 -2.328 -4.123 -4.123 369 H VAL 48 H VAL 48 -1.993 -3.569 -3.569 370 HA VAL 48 HA VAL 48 -1.625 -0.773 -0.773 371 HB VAL 48 HB VAL 48 -2.529 -2.006 -2.006 372 1HG1 VAL 48 3HG1 VAL 48 -1.945 0.645 0.645 373 2HG1 VAL 48 2HG1 VAL 48 -3.697 0.546 0.546 374 3HG1 VAL 48 1HG1 VAL 48 -2.935 0.087 0.087 375 1HG2 VAL 48 1HG2 VAL 48 -3.876 -1.630 -1.630 376 2HG2 VAL 48 3HG2 VAL 48 -4.173 -2.833 -2.833 377 3HG2 VAL 48 2HG2 VAL 48 -4.813 -1.199 -1.199 378 H LYS 49 H LYS 49 -0.211 -3.089 -3.089 379 HA LYS 49 HA LYS 49 1.457 -1.333 -1.333 380 1HB LYS 49 2HB LYS 49 0.973 -3.748 -3.748 381 2HB LYS 49 1HB LYS 49 2.062 -4.213 -4.213 382 1HG LYS 49 2HG LYS 49 3.868 -2.866 -2.866 383 2HG LYS 49 1HG LYS 49 2.771 -2.640 -2.640 384 1HD LYS 49 2HD LYS 49 2.690 -4.996 -4.996 385 2HD LYS 49 1HD LYS 49 3.497 -5.373 -5.373 386 1HE LYS 49 2HE LYS 49 4.961 -3.552 -3.552 387 2HE LYS 49 1HE LYS 49 4.812 -5.230 -5.230 388 1HZ LYS 49 3HZ LYS 49 5.647 -4.577 -4.577 389 2HZ LYS 49 2HZ LYS 49 6.778 -4.582 -4.582 390 3HZ LYS 49 1HZ LYS 49 5.918 -5.997 -5.997 391 H ALA 50 H ALA 50 1.676 -2.508 -2.508 392 HA ALA 50 HA ALA 50 4.540 -2.000 -2.000 393 1HB ALA 50 3HB ALA 50 2.387 -3.163 -3.163 394 2HB ALA 50 2HB ALA 50 3.493 -2.158 -2.158 395 3HB ALA 50 1HB ALA 50 4.114 -3.516 -3.516 396 H ILE 51 H ILE 51 1.487 -0.307 -0.307 397 HA ILE 51 HA ILE 51 2.727 1.787 1.787 398 HB ILE 51 HB ILE 51 0.300 1.273 1.273 399 1HG1 ILE 51 2HG1 ILE 51 -0.438 3.730 3.730 400 2HG1 ILE 51 1HG1 ILE 51 1.214 4.061 4.061 401 1HG2 ILE 51 2HG2 ILE 51 0.503 1.938 1.938 402 2HG2 ILE 51 1HG2 ILE 51 -0.849 2.710 2.710 403 3HG2 ILE 51 3HG2 ILE 51 -0.686 0.957 0.957 404 1HD1 ILE 51 2HD1 ILE 51 0.455 2.673 2.673 405 2HD1 ILE 51 1HD1 ILE 51 0.919 4.369 4.369 406 3HD1 ILE 51 3HD1 ILE 51 2.088 3.103 3.103 407 H CYS 52 H CYS 52 2.463 1.257 1.257 408 HA CYS 52 HA CYS 52 3.340 4.043 4.043 409 1HB CYS 52 2HB CYS 52 1.593 2.293 2.293 410 2HB CYS 52 1HB CYS 52 3.033 2.400 2.400 411 H THR 53 H THR 53 5.020 1.769 1.769 412 HA THR 53 HA THR 53 7.011 1.217 1.217 413 HB THR 53 HB THR 53 7.263 0.678 0.678 414 HG1 THR 53 HG1 THR 53 6.127 -0.904 -0.904 415 1HG2 THR 53 1HG2 THR 53 9.185 0.520 0.520 416 2HG2 THR 53 3HG2 THR 53 8.400 -1.019 -1.019 417 3HG2 THR 53 2HG2 THR 53 9.030 -0.703 -0.703 418 H GLY 54 H GLY 54 8.280 2.931 2.931 419 1HA GLY 54 2HA GLY 54 9.960 4.205 4.205 420 2HA GLY 54 1HA GLY 54 8.781 5.304 5.304 421 H VAL 55 H VAL 55 8.733 4.894 4.894 422 HA VAL 55 HA VAL 55 11.318 4.345 4.345 423 HB VAL 55 HB VAL 55 11.528 6.603 6.603 424 1HG1 VAL 55 2HG1 VAL 55 9.176 7.252 7.252 425 2HG1 VAL 55 1HG1 VAL 55 10.267 7.919 7.919 426 3HG1 VAL 55 3HG1 VAL 55 10.382 8.453 8.453 427 1HG2 VAL 55 2HG2 VAL 55 12.711 5.645 5.645 428 2HG2 VAL 55 1HG2 VAL 55 13.194 7.124 7.124 429 3HG2 VAL 55 3HG2 VAL 55 12.108 7.207 7.207 430 H ILE 56 H ILE 56 11.086 5.506 5.506 431 HA ILE 56 HA ILE 56 8.621 4.291 4.291 432 HB ILE 56 HB ILE 56 9.658 4.652 4.652 433 1HG1 ILE 56 2HG1 ILE 56 11.960 5.906 5.906 434 2HG1 ILE 56 1HG1 ILE 56 10.753 6.842 6.842 435 1HG2 ILE 56 3HG2 ILE 56 10.369 2.807 2.807 436 2HG2 ILE 56 2HG2 ILE 56 11.901 3.680 3.680 437 3HG2 ILE 56 1HG2 ILE 56 11.252 2.983 2.983 438 1HD1 ILE 56 2HD1 ILE 56 12.280 4.614 4.614 439 2HD1 ILE 56 1HD1 ILE 56 12.947 6.244 6.244 440 3HD1 ILE 56 3HD1 ILE 56 11.424 5.965 5.965 441 H ASN 57 H ASN 57 8.481 6.887 6.887 442 HA ASN 57 HA ASN 57 6.461 8.252 8.252 443 1HB ASN 57 2HB ASN 57 8.678 8.830 8.830 444 2HB ASN 57 1HB ASN 57 8.976 9.905 9.905 445 1HD2 ASN 57 2HD2 ASN 57 5.620 10.669 10.669 446 2HD2 ASN 57 1HD2 ASN 57 6.096 9.058 9.058 447 H MET 58 H MET 58 5.323 8.968 8.968 448 HA MET 58 HA MET 58 6.565 10.742 10.742 449 1HB MET 58 2HB MET 58 7.156 8.236 8.236 450 2HB MET 58 1HB MET 58 5.503 8.196 8.196 451 1HG MET 58 2HG MET 58 5.933 9.808 9.808 452 2HG MET 58 1HG MET 58 7.347 10.433 10.433 453 1HE MET 58 1HE MET 58 5.718 8.464 8.464 454 2HE MET 58 3HE MET 58 6.989 7.886 7.886 455 3HE MET 58 2HE MET 58 6.339 6.823 6.823 456 H ASN 59 H ASN 59 5.003 11.220 11.220 457 HA ASN 59 HA ASN 59 2.128 10.844 10.844 458 1HB ASN 59 2HB ASN 59 3.321 13.196 13.196 459 2HB ASN 59 1HB ASN 59 2.963 13.486 13.486 460 1HD2 ASN 59 2HD2 ASN 59 -0.658 12.892 12.892 461 2HD2 ASN 59 1HD2 ASN 59 0.510 12.190 12.190 462 H VAL 60 H VAL 60 1.227 9.863 9.863 463 HA VAL 60 HA VAL 60 1.897 10.853 10.853 464 HB VAL 60 HB VAL 60 3.581 9.099 9.099 465 1HG1 VAL 60 1HG1 VAL 60 2.062 7.879 7.879 466 2HG1 VAL 60 3HG1 VAL 60 1.286 7.148 7.148 467 3HG1 VAL 60 2HG1 VAL 60 2.998 6.861 6.861 468 1HG2 VAL 60 3HG2 VAL 60 2.371 9.388 9.388 469 2HG2 VAL 60 2HG2 VAL 60 3.275 7.897 7.897 470 3HG2 VAL 60 1HG2 VAL 60 1.518 7.903 7.903 471 H LEU 61 H LEU 61 0.401 9.847 9.847 472 HA LEU 61 HA LEU 61 -2.231 9.165 9.165 473 1HB LEU 61 2HB LEU 61 -1.708 10.479 10.479 474 2HB LEU 61 1HB LEU 61 -3.284 10.204 10.204 475 HG LEU 61 HG LEU 61 -2.138 11.586 11.586 476 1HD1 LEU 61 2HD1 LEU 61 -0.045 11.748 11.748 477 2HD1 LEU 61 1HD1 LEU 61 -0.985 12.961 12.961 478 3HD1 LEU 61 3HD1 LEU 61 -0.588 13.202 13.202 479 1HD2 LEU 61 3HD2 LEU 61 -3.416 12.680 12.680 480 2HD2 LEU 61 2HD2 LEU 61 -4.235 12.218 12.218 481 3HD2 LEU 61 1HD2 LEU 61 -3.183 13.632 13.632 482 H SER 62 H SER 62 -3.072 7.198 7.198 483 HA SER 62 HA SER 62 -1.741 5.193 5.193 484 1HB SER 62 2HB SER 62 -4.736 5.459 5.459 485 2HB SER 62 1HB SER 62 -3.891 3.994 3.994 486 HG SER 62 HG SER 62 -3.382 5.470 5.470 487 H THR 63 H THR 63 -1.048 6.003 6.003 488 HA THR 63 HA THR 63 -2.831 7.353 7.353 489 HB THR 63 HB THR 63 -0.790 6.790 6.790 490 HG1 THR 63 HG1 THR 63 0.639 5.631 5.631 491 1HG2 THR 63 3HG2 THR 63 -1.487 8.933 8.933 492 2HG2 THR 63 2HG2 THR 63 0.126 8.570 8.570 493 3HG2 THR 63 1HG2 THR 63 -0.108 8.907 8.907 494 H THR 64 H THR 64 -2.516 6.329 6.329 495 HA THR 64 HA THR 64 -3.268 4.704 4.704 496 HB THR 64 HB THR 64 -2.406 2.821 2.821 497 HG1 THR 64 HG1 THR 64 -0.571 3.623 3.623 498 1HG2 THR 64 2HG2 THR 64 -3.568 2.401 2.401 499 2HG2 THR 64 1HG2 THR 64 -2.121 1.454 1.454 500 3HG2 THR 64 3HG2 THR 64 -3.535 1.322 1.322 501 H ARG 65 H ARG 65 -4.275 2.609 2.609 502 HA ARG 65 HA ARG 65 -6.826 3.653 3.653 503 1HB ARG 65 2HB ARG 65 -8.268 2.212 2.212 504 2HB ARG 65 1HB ARG 65 -7.386 3.442 3.442 505 1HG ARG 65 2HG ARG 65 -5.565 1.532 1.532 506 2HG ARG 65 1HG ARG 65 -6.951 0.482 0.482 507 1HD ARG 65 2HD ARG 65 -6.679 2.550 2.550 508 2HD ARG 65 1HD ARG 65 -6.689 0.799 0.799 509 HE ARG 65 HE ARG 65 -9.092 1.843 1.843 510 1HH1 ARG 65 1HH2 ARG 65 -9.646 -0.491 -0.491 511 2HH1 ARG 65 2HH2 ARG 65 -10.144 0.017 0.017 512 1HH2 ARG 65 2HH1 ARG 65 -8.799 3.198 3.198 513 2HH2 ARG 65 1HH1 ARG 65 -9.666 2.104 2.104 514 H PHE 66 H PHE 66 -6.699 2.661 2.661 515 HA PHE 66 HA PHE 66 -6.148 -0.281 -0.281 516 1HB PHE 66 2HB PHE 66 -6.175 1.910 1.910 517 2HB PHE 66 1HB PHE 66 -6.233 0.212 0.212 518 HD1 PHE 66 HD2 PHE 66 -4.210 2.817 2.817 519 HD2 PHE 66 HD1 PHE 66 -4.287 -1.262 -1.262 520 HE1 PHE 66 HE2 PHE 66 -1.767 2.636 2.636 521 HE2 PHE 66 HE1 PHE 66 -1.850 -1.424 -1.424 522 HZ PHE 66 HZ PHE 66 -0.591 0.516 0.516 523 H GLN 67 H GLN 67 -8.558 0.387 0.387 524 HA GLN 67 HA GLN 67 -10.934 0.316 0.316 525 1HB GLN 67 2HB GLN 67 -9.813 -2.257 -2.257 526 2HB GLN 67 1HB GLN 67 -11.525 -2.053 -2.053 527 1HG GLN 67 2HG GLN 67 -10.897 -1.383 -1.383 528 2HG GLN 67 1HG GLN 67 -9.209 -1.704 -1.704 529 1HE2 GLN 67 2HE2 GLN 67 -9.648 -5.048 -5.048 530 2HE2 GLN 67 1HE2 GLN 67 -8.709 -3.635 -3.635 531 H LEU 68 H LEU 68 -12.061 1.689 1.689 532 HA LEU 68 HA LEU 68 -12.091 0.920 0.920 533 1HB LEU 68 2HB LEU 68 -13.228 3.210 3.210 534 2HB LEU 68 1HB LEU 68 -11.516 3.179 3.179 535 HG LEU 68 HG LEU 68 -11.900 3.860 3.860 536 1HD1 LEU 68 1HD1 LEU 68 -14.799 3.224 3.224 537 2HD1 LEU 68 3HD1 LEU 68 -14.336 4.278 4.278 538 3HD1 LEU 68 2HD1 LEU 68 -13.797 2.602 2.602 539 1HD2 LEU 68 3HD2 LEU 68 -12.209 5.558 5.558 540 2HD2 LEU 68 2HD2 LEU 68 -12.918 6.005 6.005 541 3HD2 LEU 68 1HD2 LEU 68 -13.941 5.385 5.385 542 H ASN 69 H ASN 69 -14.027 0.896 0.896 543 HA ASN 69 HA ASN 69 -16.523 0.379 0.379 544 1HB ASN 69 2HB ASN 69 -15.374 -1.559 -1.559 545 2HB ASN 69 1HB ASN 69 -16.113 -0.718 -0.718 546 1HD2 ASN 69 2HD2 ASN 69 -18.733 -2.081 -2.081 547 2HD2 ASN 69 1HD2 ASN 69 -17.269 -1.375 -1.375 548 H THR 70 H THR 70 -17.360 2.511 2.511 549 HA THR 70 HA THR 70 -17.308 3.774 3.774 550 HB THR 70 HB THR 70 -18.244 5.044 5.044 551 HG1 THR 70 HG1 THR 70 -16.151 5.649 5.649 552 1HG2 THR 70 2HG2 THR 70 -18.673 6.046 6.046 553 2HG2 THR 70 1HG2 THR 70 -16.929 6.308 6.308 554 3HG2 THR 70 3HG2 THR 70 -17.892 7.083 7.083 555 H CYS 71 H CYS 71 -18.950 3.741 3.741 556 HA CYS 71 HA CYS 71 -21.735 3.452 3.452 557 1HB CYS 71 2HB CYS 71 -20.777 2.933 2.933 558 2HB CYS 71 1HB CYS 71 -22.382 2.601 2.601 559 H THR 72 H THR 72 -22.340 5.599 5.599 560 HA THR 72 HA THR 72 -21.497 7.514 7.514 561 HB THR 72 HB THR 72 -22.358 8.206 8.206 562 HG1 THR 72 HG1 THR 72 -20.191 8.167 8.167 563 1HG2 THR 72 3HG2 THR 72 -20.953 9.643 9.643 564 2HG2 THR 72 2HG2 THR 72 -20.854 10.205 10.205 565 3HG2 THR 72 1HG2 THR 72 -22.417 10.127 10.127 566 H ARG 73 H ARG 73 -22.952 8.901 8.901 567 HA ARG 73 HA ARG 73 -25.752 8.198 8.198 568 1HB ARG 73 2HB ARG 73 -24.558 9.183 9.183 569 2HB ARG 73 1HB ARG 73 -24.306 10.664 10.664 570 1HG ARG 73 2HG ARG 73 -26.623 11.183 11.183 571 2HG ARG 73 1HG ARG 73 -27.071 9.555 9.555 572 1HD ARG 73 2HD ARG 73 -27.225 10.627 10.627 573 2HD ARG 73 1HD ARG 73 -25.517 10.187 10.187 574 HE ARG 73 HE ARG 73 -25.739 12.730 12.730 575 1HH1 ARG 73 2HH1 ARG 73 -24.420 11.501 11.501 576 2HH1 ARG 73 1HH1 ARG 73 -24.863 12.769 12.769 577 1HH2 ARG 73 1HH2 ARG 73 -27.094 14.253 14.253 578 2HH2 ARG 73 2HH2 ARG 73 -26.377 14.325 14.325 579 H THR 74 H THR 74 -27.007 8.634 8.634 580 HA THR 74 HA THR 74 -26.927 11.416 11.416 581 HB THR 74 HB THR 74 -27.008 10.340 10.340 582 HG1 THR 74 HG1 THR 74 -25.687 8.315 8.315 583 1HG2 THR 74 3HG2 THR 74 -25.133 11.683 11.683 584 2HG2 THR 74 2HG2 THR 74 -24.385 10.123 10.123 585 3HG2 THR 74 1HG2 THR 74 -24.661 10.618 10.618 586 H SER 75 H SER 75 -28.466 8.513 8.513 587 HA SER 75 HA SER 75 -31.073 9.941 9.941 588 1HB SER 75 2HB SER 75 -31.776 8.011 8.011 589 2HB SER 75 1HB SER 75 -30.467 8.996 8.996 590 HG SER 75 HG SER 75 -29.540 7.098 7.098 591 H ILE 76 H ILE 76 -33.040 8.779 8.779 592 HA ILE 76 HA ILE 76 -32.976 7.688 7.688 593 HB ILE 76 HB ILE 76 -35.324 6.839 6.839 594 1HG1 ILE 76 2HG1 ILE 76 -35.069 8.475 8.475 595 2HG1 ILE 76 1HG1 ILE 76 -34.579 6.782 6.782 596 1HG2 ILE 76 1HG2 ILE 76 -34.392 9.684 9.684 597 2HG2 ILE 76 3HG2 ILE 76 -36.101 9.300 9.300 598 3HG2 ILE 76 2HG2 ILE 76 -35.294 8.920 8.920 599 1HD1 ILE 76 2HD1 ILE 76 -37.098 6.960 6.960 600 2HD1 ILE 76 1HD1 ILE 76 -37.221 7.844 7.844 601 3HD1 ILE 76 3HD1 ILE 76 -36.733 6.150 6.150 602 H THR 77 H THR 77 -32.527 5.742 5.742 603 HA THR 77 HA THR 77 -33.151 3.200 3.200 604 HB THR 77 HB THR 77 -31.690 3.592 3.592 605 HG1 THR 77 HG1 THR 77 -31.514 1.550 1.550 606 1HG2 THR 77 3HG2 THR 77 -30.281 5.250 5.250 607 2HG2 THR 77 2HG2 THR 77 -29.184 3.897 3.897 608 3HG2 THR 77 1HG2 THR 77 -29.792 4.817 4.817 609 HA PRO 78 HA PRO 78 -31.182 3.912 3.912 610 1HB PRO 78 2HB PRO 78 -33.355 3.158 3.158 611 2HB PRO 78 1HB PRO 78 -33.029 4.819 4.819 612 1HG PRO 78 2HG PRO 78 -35.033 2.873 2.873 613 2HG PRO 78 1HG PRO 78 -35.084 4.644 4.644 614 1HD PRO 78 2HD PRO 78 -34.466 3.046 3.046 615 2HD PRO 78 1HD PRO 78 -34.128 4.786 4.786 616 H ARG 79 H ARG 79 -29.802 2.263 2.263 617 HA ARG 79 HA ARG 79 -30.792 -0.373 -0.373 618 1HB ARG 79 2HB ARG 79 -28.964 0.079 0.079 619 2HB ARG 79 1HB ARG 79 -29.186 -1.487 -1.487 620 1HG ARG 79 2HG ARG 79 -31.746 -0.977 -0.977 621 2HG ARG 79 1HG ARG 79 -31.149 0.123 0.123 622 1HD ARG 79 2HD ARG 79 -31.231 -1.749 -1.749 623 2HD ARG 79 1HD ARG 79 -29.667 -2.081 -2.081 624 HE ARG 79 HE ARG 79 -30.965 -3.471 -3.471 625 1HH1 ARG 79 1HH2 ARG 79 -33.681 -2.622 -2.622 626 2HH1 ARG 79 2HH2 ARG 79 -34.115 -4.007 -4.007 627 1HH2 ARG 79 2HH1 ARG 79 -30.903 -5.304 -5.304 628 2HH2 ARG 79 1HH1 ARG 79 -32.546 -5.524 -5.524 629 HA PRO 80 HA PRO 80 -30.948 1.295 1.295 630 1HB PRO 80 2HB PRO 80 -30.189 2.858 2.858 631 2HB PRO 80 1HB PRO 80 -30.445 1.110 1.110 632 1HG PRO 80 2HG PRO 80 -27.899 2.630 2.630 633 2HG PRO 80 1HG PRO 80 -28.244 1.004 1.004 634 1HD PRO 80 2HD PRO 80 -26.937 1.695 1.695 635 2HD PRO 80 1HD PRO 80 -27.362 0.070 0.070 636 H CYS 81 H CYS 81 -28.010 3.175 3.175 637 HA CYS 81 HA CYS 81 -29.448 5.727 5.727 638 1HB CYS 81 2HB CYS 81 -26.630 4.839 4.839 639 2HB CYS 81 1HB CYS 81 -26.944 6.206 6.206 640 HA PRO 82 HA PRO 82 -30.181 5.387 5.387 641 1HB PRO 82 2HB PRO 82 -29.907 7.989 7.989 642 2HB PRO 82 1HB PRO 82 -31.323 7.390 7.390 643 1HG PRO 82 2HG PRO 82 -29.049 9.055 9.055 644 2HG PRO 82 1HG PRO 82 -30.741 9.037 9.037 645 1HD PRO 82 2HD PRO 82 -28.638 7.816 7.816 646 2HD PRO 82 1HD PRO 82 -30.360 7.411 7.411 647 H TYR 83 H TYR 83 -28.261 4.127 4.127 648 HA TYR 83 HA TYR 83 -25.975 5.729 5.729 649 1HB TYR 83 2HB TYR 83 -25.982 3.247 3.247 650 2HB TYR 83 1HB TYR 83 -24.715 3.441 3.441 651 HD1 TYR 83 HD2 TYR 83 -26.505 5.664 5.664 652 HD2 TYR 83 HD1 TYR 83 -22.782 4.351 4.351 653 HE1 TYR 83 HE2 TYR 83 -25.281 7.235 7.235 654 HE2 TYR 83 HE1 TYR 83 -21.565 5.927 5.927 655 HH TYR 83 HH TYR 83 -22.155 8.146 8.146 656 H SER 84 H SER 84 -25.178 5.244 5.244 657 HA SER 84 HA SER 84 -26.404 2.936 2.936 658 1HB SER 84 2HB SER 84 -25.316 5.427 5.427 659 2HB SER 84 1HB SER 84 -26.465 4.253 4.253 660 HG SER 84 HG SER 84 -27.772 5.839 5.839 661 H SER 85 H SER 85 -24.876 1.441 1.441 662 HA SER 85 HA SER 85 -22.013 2.115 2.115 663 1HB SER 85 2HB SER 85 -23.152 -0.596 -0.596 664 2HB SER 85 1HB SER 85 -21.609 -0.227 -0.227 665 HG SER 85 HG SER 85 -24.207 0.200 0.200 666 H ARG 86 H ARG 86 -20.493 2.007 2.007 667 HA ARG 86 HA ARG 86 -21.182 1.062 1.062 668 1HB ARG 86 2HB ARG 86 -21.986 3.509 3.509 669 2HB ARG 86 1HB ARG 86 -20.271 3.927 3.927 670 1HG ARG 86 2HG ARG 86 -20.609 4.046 4.046 671 2HG ARG 86 1HG ARG 86 -20.225 2.331 2.331 672 1HD ARG 86 2HD ARG 86 -23.019 2.636 2.636 673 2HD ARG 86 1HD ARG 86 -22.643 3.534 3.534 674 HE ARG 86 HE ARG 86 -21.361 1.033 1.033 675 1HH1 ARG 86 1HH2 ARG 86 -24.290 0.960 0.960 676 2HH1 ARG 86 2HH2 ARG 86 -25.167 0.299 0.299 677 1HH2 ARG 86 2HH1 ARG 86 -22.586 0.777 0.777 678 2HH2 ARG 86 1HH1 ARG 86 -24.201 0.194 0.194 679 H THR 87 H THR 87 -19.360 0.250 0.250 680 HA THR 87 HA THR 87 -16.753 0.613 0.613 681 HB THR 87 HB THR 87 -17.175 -1.140 -1.140 682 HG1 THR 87 HG1 THR 87 -18.026 -2.708 -2.708 683 1HG2 THR 87 2HG2 THR 87 -15.244 -0.851 -0.851 684 2HG2 THR 87 1HG2 THR 87 -15.668 -2.512 -2.512 685 3HG2 THR 87 3HG2 THR 87 -14.996 -1.443 -1.443 686 H GLU 88 H GLU 88 -14.879 1.398 1.398 687 HA GLU 88 HA GLU 88 -14.938 2.215 2.215 688 1HB GLU 88 2HB GLU 88 -16.111 4.015 4.015 689 2HB GLU 88 1HB GLU 88 -14.580 4.724 4.724 690 1HG GLU 88 2HG GLU 88 -15.209 4.563 4.563 691 2HG GLU 88 1HG GLU 88 -16.665 3.656 3.656 692 H THR 89 H THR 89 -13.073 4.168 4.168 693 HA THR 89 HA THR 89 -10.587 2.823 2.823 694 HB THR 89 HB THR 89 -11.209 5.711 5.711 695 HG1 THR 89 HG1 THR 89 -10.464 3.371 3.371 696 1HG2 THR 89 2HG2 THR 89 -8.717 4.487 4.487 697 2HG2 THR 89 1HG2 THR 89 -8.634 4.944 4.944 698 3HG2 THR 89 3HG2 THR 89 -9.033 6.153 6.153 699 H ASN 90 H ASN 90 -9.154 3.104 3.104 700 HA ASN 90 HA ASN 90 -10.175 4.861 4.861 701 1HB ASN 90 2HB ASN 90 -9.961 2.404 2.404 702 2HB ASN 90 1HB ASN 90 -8.219 2.608 2.608 703 1HD2 ASN 90 2HD2 ASN 90 -8.230 3.462 3.462 704 2HD2 ASN 90 1HD2 ASN 90 -7.681 2.383 2.383 705 H TYR 91 H TYR 91 -9.264 6.740 6.740 706 HA TYR 91 HA TYR 91 -6.280 6.978 6.978 707 1HB TYR 91 2HB TYR 91 -7.824 8.053 8.053 708 2HB TYR 91 1HB TYR 91 -8.156 9.256 9.256 709 HD1 TYR 91 HD1 TYR 91 -5.527 7.746 7.746 710 HD2 TYR 91 HD2 TYR 91 -6.455 10.796 10.796 711 HE1 TYR 91 HE1 TYR 91 -3.372 8.872 8.872 712 HE2 TYR 91 HE2 TYR 91 -4.302 11.920 11.920 713 HH TYR 91 HH TYR 91 -2.688 11.873 11.873 714 H ILE 92 H ILE 92 -5.871 7.033 7.033 715 HA ILE 92 HA ILE 92 -7.588 8.912 8.912 716 HB ILE 92 HB ILE 92 -7.945 6.437 6.437 717 1HG1 ILE 92 2HG1 ILE 92 -6.941 7.684 7.684 718 2HG1 ILE 92 1HG1 ILE 92 -8.367 8.318 8.318 719 1HG2 ILE 92 3HG2 ILE 92 -5.094 6.471 6.471 720 2HG2 ILE 92 2HG2 ILE 92 -5.827 5.917 5.917 721 3HG2 ILE 92 1HG2 ILE 92 -6.189 5.090 5.090 722 1HD1 ILE 92 3HD1 ILE 92 -9.139 5.819 5.819 723 2HD1 ILE 92 2HD1 ILE 92 -7.957 5.613 5.613 724 3HD1 ILE 92 1HD1 ILE 92 -9.303 6.736 6.736 725 H CYS 93 H CYS 93 -6.577 9.560 9.560 726 HA CYS 93 HA CYS 93 -3.684 10.268 10.268 727 1HB CYS 93 2HB CYS 93 -5.352 12.166 12.166 728 2HB CYS 93 1HB CYS 93 -5.788 11.713 11.713 729 H VAL 94 H VAL 94 -2.557 8.823 8.823 730 HA VAL 94 HA VAL 94 -3.451 8.306 8.306 731 HB VAL 94 HB VAL 94 -2.628 6.006 6.006 732 1HG1 VAL 94 3HG1 VAL 94 -4.959 6.604 6.604 733 2HG1 VAL 94 2HG1 VAL 94 -4.364 6.764 6.764 734 3HG1 VAL 94 1HG1 VAL 94 -4.312 5.198 5.198 735 1HG2 VAL 94 2HG2 VAL 94 -0.805 6.569 6.569 736 2HG2 VAL 94 1HG2 VAL 94 -1.769 5.178 5.178 737 3HG2 VAL 94 3HG2 VAL 94 -2.038 6.749 6.749 738 H LYS 95 H LYS 95 -1.252 7.000 7.000 739 HA LYS 95 HA LYS 95 1.136 8.519 8.519 740 1HB LYS 95 2HB LYS 95 -0.155 8.715 8.715 741 2HB LYS 95 1HB LYS 95 1.537 9.128 9.128 742 1HG LYS 95 2HG LYS 95 0.677 11.204 11.204 743 2HG LYS 95 1HG LYS 95 0.395 10.526 10.526 744 1HD LYS 95 2HD LYS 95 -1.758 11.200 11.200 745 2HD LYS 95 1HD LYS 95 -1.836 9.651 9.651 746 1HE LYS 95 2HE LYS 95 -2.387 10.808 10.808 747 2HE LYS 95 1HE LYS 95 -0.726 11.395 11.395 748 1HZ LYS 95 2HZ LYS 95 -1.876 13.013 13.013 749 2HZ LYS 95 1HZ LYS 95 -3.150 12.771 12.771 750 3HZ LYS 95 3HZ LYS 95 -1.674 13.394 13.394 751 H CYS 96 H CYS 96 3.137 7.709 7.709 752 HA CYS 96 HA CYS 96 2.846 4.840 4.840 753 1HB CYS 96 2HB CYS 96 5.345 5.881 5.881 754 2HB CYS 96 1HB CYS 96 4.687 4.248 4.248 755 H GLU 97 H GLU 97 3.672 4.277 4.277 756 HA GLU 97 HA GLU 97 6.065 5.554 5.554 757 1HB GLU 97 2HB GLU 97 4.563 6.948 6.948 758 2HB GLU 97 1HB GLU 97 3.340 5.698 5.698 759 1HG GLU 97 2HG GLU 97 4.811 4.501 4.501 760 2HG GLU 97 1HG GLU 97 6.001 5.795 5.795 761 H ASN 98 H ASN 98 7.142 3.986 3.986 762 HA ASN 98 HA ASN 98 7.710 1.747 1.747 763 1HB ASN 98 2HB ASN 98 4.779 1.965 1.965 764 2HB ASN 98 1HB ASN 98 5.390 0.323 0.323 765 1HD2 ASN 98 2HD2 ASN 98 6.362 2.470 2.470 766 2HD2 ASN 98 1HD2 ASN 98 5.581 3.226 3.226 767 H GLN 99 H GLN 99 6.928 2.676 2.676 768 HA GLN 99 HA GLN 99 7.050 1.845 1.845 769 1HB GLN 99 2HB GLN 99 7.945 -0.513 -0.513 770 2HB GLN 99 1HB GLN 99 7.465 -0.811 -0.811 771 1HG GLN 99 2HG GLN 99 9.131 1.572 1.572 772 2HG GLN 99 1HG GLN 99 9.947 0.169 0.169 773 1HE2 GLN 99 2HE2 GLN 99 8.786 -0.156 -0.156 774 2HE2 GLN 99 1HE2 GLN 99 7.759 0.635 0.635 775 H TYR 100 H TYR 100 4.583 0.975 0.975 776 HA TYR 100 HA TYR 100 3.037 -0.233 -0.233 777 1HB TYR 100 2HB TYR 100 2.156 -1.743 -1.743 778 2HB TYR 100 1HB TYR 100 3.352 -1.225 -1.225 779 HD1 TYR 100 HD2 TYR 100 -0.086 -0.110 -0.110 780 HD2 TYR 100 HD1 TYR 100 2.563 -0.696 -0.696 781 HE1 TYR 100 HE2 TYR 100 -1.899 0.578 0.578 782 HE2 TYR 100 HE1 TYR 100 0.755 -0.011 -0.011 783 HH TYR 100 HH TYR 100 -1.345 0.809 0.809 784 HA PRO 101 HA PRO 101 0.926 3.621 3.621 785 1HB PRO 101 2HB PRO 101 -1.545 2.808 2.808 786 2HB PRO 101 1HB PRO 101 -0.119 3.003 3.003 787 1HG PRO 101 2HG PRO 101 -1.336 0.484 0.484 788 2HG PRO 101 1HG PRO 101 -0.488 0.753 0.753 789 1HD PRO 101 2HD PRO 101 0.672 -0.473 -0.473 790 2HD PRO 101 1HD PRO 101 1.593 0.363 0.363 791 H VAL 102 H VAL 102 0.726 4.180 4.180 792 HA VAL 102 HA VAL 102 -1.577 2.943 2.943 793 HB VAL 102 HB VAL 102 0.670 2.390 2.390 794 1HG1 VAL 102 3HG1 VAL 102 1.300 4.998 4.998 795 2HG1 VAL 102 2HG1 VAL 102 1.063 5.069 5.069 796 3HG1 VAL 102 1HG1 VAL 102 2.245 3.953 3.953 797 1HG2 VAL 102 1HG2 VAL 102 -1.595 3.051 3.051 798 2HG2 VAL 102 3HG2 VAL 102 -0.140 2.399 2.399 799 3HG2 VAL 102 2HG2 VAL 102 -0.425 4.139 4.139 800 H HIS 103 H HIS 103 -1.027 5.755 5.755 801 HA HIS 103 HA HIS 103 -2.671 7.200 7.200 802 1HB HIS 103 2HB HIS 103 -1.229 9.176 9.176 803 2HB HIS 103 1HB HIS 103 -1.279 8.948 8.948 804 HD1 HIS 103 HD1 HIS 103 1.149 9.442 9.442 805 HD2 HIS 103 HD2 HIS 103 0.704 6.401 6.401 806 HE1 HIS 103 HE1 HIS 103 3.460 8.530 8.530 807 H PHE 104 H PHE 104 -4.488 8.123 8.123 808 HA PHE 104 HA PHE 104 -4.691 8.054 8.054 809 1HB PHE 104 2HB PHE 104 -6.411 6.839 6.839 810 2HB PHE 104 1HB PHE 104 -7.320 7.897 7.897 811 HD1 PHE 104 HD1 PHE 104 -4.236 6.011 6.011 812 HD2 PHE 104 HD2 PHE 104 -8.499 6.266 6.266 813 HE1 PHE 104 HE1 PHE 104 -4.143 4.293 4.293 814 HE2 PHE 104 HE2 PHE 104 -8.426 4.520 4.520 815 HZ PHE 104 HZ PHE 104 -6.262 3.528 3.528 816 H ALA 105 H ALA 105 -5.109 9.919 9.919 817 HA ALA 105 HA ALA 105 -5.879 12.264 12.264 818 1HB ALA 105 2HB ALA 105 -4.092 11.934 11.934 819 2HB ALA 105 1HB ALA 105 -5.452 12.806 12.806 820 3HB ALA 105 3HB ALA 105 -4.616 13.466 13.466 821 H GLY 106 H GLY 106 -7.064 10.233 10.233 822 1HA GLY 106 2HA GLY 106 -9.689 10.199 10.199 823 2HA GLY 106 1HA GLY 106 -9.528 11.900 11.900 824 H ILE 107 H ILE 107 -10.657 11.649 11.649 825 HA ILE 107 HA ILE 107 -10.222 9.694 9.694 826 HB ILE 107 HB ILE 107 -11.151 11.411 11.411 827 1HG1 ILE 107 2HG1 ILE 107 -11.214 13.195 13.195 828 2HG1 ILE 107 1HG1 ILE 107 -9.991 13.340 13.340 829 1HG2 ILE 107 2HG2 ILE 107 -12.383 10.730 10.730 830 2HG2 ILE 107 1HG2 ILE 107 -13.233 11.859 11.859 831 3HG2 ILE 107 3HG2 ILE 107 -12.865 10.230 10.230 832 1HD1 ILE 107 3HD1 ILE 107 -12.988 13.558 13.558 833 2HD1 ILE 107 2HD1 ILE 107 -11.856 14.909 14.909 834 3HD1 ILE 107 1HD1 ILE 107 -11.765 13.705 13.705 835 H GLY 108 H GLY 108 -9.431 10.773 10.773 836 1HA GLY 108 2HA GLY 108 -6.526 11.107 11.107 837 2HA GLY 108 1HA GLY 108 -7.341 10.826 10.826 838 H ARG 109 H ARG 109 -7.458 13.341 13.341 839 HA ARG 109 HA ARG 109 -6.799 15.411 15.411 840 1HB ARG 109 2HB ARG 109 -9.203 15.635 15.635 841 2HB ARG 109 1HB ARG 109 -8.680 16.825 16.825 842 1HG ARG 109 2HG ARG 109 -9.515 13.996 13.996 843 2HG ARG 109 1HG ARG 109 -10.593 15.386 15.386 844 1HD ARG 109 2HD ARG 109 -9.327 16.417 16.417 845 2HD ARG 109 1HD ARG 109 -7.948 15.350 15.350 846 HE ARG 109 HE ARG 109 -9.877 13.567 13.567 847 1HH1 ARG 109 1HH2 ARG 109 -7.685 15.087 15.087 848 2HH1 ARG 109 2HH2 ARG 109 -8.637 15.371 15.371 849 1HH2 ARG 109 2HH1 ARG 109 -11.644 14.586 14.586 850 2HH2 ARG 109 1HH1 ARG 109 -10.878 15.084 15.084 851 H CYS 110 H CYS 110 -4.854 15.830 15.830 852 HA CYS 110 HA CYS 110 -5.039 16.958 16.958 853 1HB CYS 110 2HB CYS 110 -3.155 14.894 14.894 854 2HB CYS 110 1HB CYS 110 -2.608 15.982 15.982 855 HA PRO 111 HA PRO 111 -2.786 19.782 19.782 856 1HB PRO 111 2HB PRO 111 -4.619 21.824 21.824 857 2HB PRO 111 1HB PRO 111 -4.640 20.474 20.474 858 1HG PRO 111 2HG PRO 111 -6.426 20.984 20.984 859 2HG PRO 111 1HG PRO 111 -6.761 20.096 20.096 860 1HD PRO 111 1HD PRO 111 -6.161 18.937 18.937 861 2HD PRO 111 2HD PRO 111 -6.147 18.104 18.104 Start of MODEL 9 1 HN PCA 1 HN PCA 1 -1.972 4.063 4.063 2 HA PCA 1 HA PCA 1 -4.140 2.775 2.775 3 1HB PCA 1 1HB PCA 1 -5.119 3.142 3.142 4 2HB PCA 1 2HB PCA 1 -3.741 2.384 2.384 5 1HG PCA 1 1HG PCA 1 -4.379 5.191 5.191 6 2HG PCA 1 2HG PCA 1 -3.053 4.432 4.432 7 H ASN 2 H ASN 2 -3.967 0.641 0.641 8 HA ASN 2 HA ASN 2 -1.268 -0.544 -0.544 9 1HB ASN 2 2HB ASN 2 -2.478 -1.234 -1.234 10 2HB ASN 2 1HB ASN 2 -3.857 -1.747 -1.747 11 1HD2 ASN 2 2HD2 ASN 2 -0.470 -4.101 -4.101 12 2HD2 ASN 2 1HD2 ASN 2 -0.294 -2.424 -2.424 13 H TRP 3 H TRP 3 -1.179 -2.701 -2.701 14 HA TRP 3 HA TRP 3 -1.980 -2.236 -2.236 15 1HB TRP 3 2HB TRP 3 -0.220 -3.972 -3.972 16 2HB TRP 3 1HB TRP 3 -1.362 -5.032 -5.032 17 HD1 TRP 3 HD1 TRP 3 1.843 -3.726 -3.726 18 HE1 TRP 3 HE1 TRP 3 2.556 -3.663 -3.663 19 HE3 TRP 3 HE3 TRP 3 -2.751 -3.995 -3.995 20 HZ2 TRP 3 HZ2 TRP 3 1.385 -3.748 -3.748 21 HZ3 TRP 3 HZ3 TRP 3 -2.888 -4.033 -4.033 22 HH2 TRP 3 HH2 TRP 3 -0.827 -3.915 -3.915 23 H ALA 4 H ALA 4 -3.475 -4.006 -4.006 24 HA ALA 4 HA ALA 4 -5.246 -5.646 -5.646 25 1HB ALA 4 2HB ALA 4 -4.471 -5.610 -5.610 26 2HB ALA 4 1HB ALA 4 -6.157 -5.104 -5.104 27 3HB ALA 4 3HB ALA 4 -5.728 -6.637 -6.637 28 H THR 5 H THR 5 -5.985 -2.923 -2.923 29 HA THR 5 HA THR 5 -8.660 -2.497 -2.497 30 HB THR 5 HB THR 5 -8.057 -0.055 -0.055 31 HG1 THR 5 HG1 THR 5 -6.121 0.069 0.069 32 1HG2 THR 5 1HG2 THR 5 -9.555 -1.768 -1.768 33 2HG2 THR 5 3HG2 THR 5 -8.139 -2.465 -2.465 34 3HG2 THR 5 2HG2 THR 5 -8.647 -0.822 -0.822 35 H PHE 6 H PHE 6 -5.505 -1.320 -1.320 36 HA PHE 6 HA PHE 6 -6.488 0.535 0.535 37 1HB PHE 6 2HB PHE 6 -4.243 0.755 0.755 38 2HB PHE 6 1HB PHE 6 -3.779 -0.717 -0.717 39 HD1 PHE 6 HD2 PHE 6 -3.920 -0.793 -0.793 40 HD2 PHE 6 HD1 PHE 6 -4.267 2.899 2.899 41 HE1 PHE 6 HE2 PHE 6 -3.481 0.467 0.467 42 HE2 PHE 6 HE1 PHE 6 -3.829 4.173 4.173 43 HZ PHE 6 HZ PHE 6 -3.442 2.953 2.953 44 H GLN 7 H GLN 7 -5.850 -2.885 -2.885 45 HA GLN 7 HA GLN 7 -5.515 -3.509 -3.509 46 1HB GLN 7 2HB GLN 7 -5.402 -5.211 -5.211 47 2HB GLN 7 1HB GLN 7 -7.160 -5.125 -5.125 48 1HG GLN 7 2HG GLN 7 -7.369 -6.571 -6.571 49 2HG GLN 7 1HG GLN 7 -6.455 -5.496 -5.496 50 1HE2 GLN 7 2HE2 GLN 7 -4.549 -8.645 -8.645 51 2HE2 GLN 7 1HE2 GLN 7 -6.064 -8.139 -8.139 52 H GLN 8 H GLN 8 -8.309 -2.595 -2.595 53 HA GLN 8 HA GLN 8 -10.241 -3.053 -3.053 54 1HB GLN 8 2HB GLN 8 -10.307 -2.037 -2.037 55 2HB GLN 8 1HB GLN 8 -11.533 -1.390 -1.390 56 1HG GLN 8 2HG GLN 8 -12.595 -3.307 -3.307 57 2HG GLN 8 1HG GLN 8 -11.840 -3.913 -3.913 58 1HE2 GLN 8 2HE2 GLN 8 -10.404 -5.116 -5.116 59 2HE2 GLN 8 1HE2 GLN 8 -11.462 -3.791 -3.791 60 H LYS 9 H LYS 9 -8.414 -0.393 -0.393 61 HA LYS 9 HA LYS 9 -9.481 1.875 1.875 62 1HB LYS 9 2HB LYS 9 -7.582 1.897 1.897 63 2HB LYS 9 1HB LYS 9 -6.509 1.319 1.319 64 1HG LYS 9 2HG LYS 9 -6.219 3.657 3.657 65 2HG LYS 9 1HG LYS 9 -7.318 3.355 3.355 66 1HD LYS 9 2HD LYS 9 -8.347 5.144 5.144 67 2HD LYS 9 1HD LYS 9 -9.203 3.737 3.737 68 1HE LYS 9 2HE LYS 9 -7.070 3.902 3.902 69 2HE LYS 9 1HE LYS 9 -7.387 5.602 5.602 70 1HZ LYS 9 2HZ LYS 9 -9.616 3.786 3.786 71 2HZ LYS 9 1HZ LYS 9 -8.669 4.437 4.437 72 3HZ LYS 9 3HZ LYS 9 -9.512 5.470 5.470 73 H HIS 10 H HIS 10 -6.958 -0.188 -0.188 74 HA HIS 10 HA HIS 10 -7.478 1.105 1.105 75 1HB HIS 10 2HB HIS 10 -5.140 -0.210 -0.210 76 2HB HIS 10 1HB HIS 10 -5.494 -0.826 -0.826 77 HD1 HIS 10 HD1 HIS 10 -6.226 1.465 1.465 78 HD2 HIS 10 HD2 HIS 10 -3.323 1.821 1.821 79 HE1 HIS 10 HE1 HIS 10 -4.753 3.417 3.417 80 H ILE 11 H ILE 11 -8.288 -1.800 -1.800 81 HA ILE 11 HA ILE 11 -9.373 -2.913 -2.913 82 HB ILE 11 HB ILE 11 -7.696 -4.518 -4.518 83 1HG1 ILE 11 2HG1 ILE 11 -6.347 -4.685 -4.685 84 2HG1 ILE 11 1HG1 ILE 11 -7.047 -3.088 -3.088 85 1HG2 ILE 11 3HG2 ILE 11 -9.337 -5.206 -5.206 86 2HG2 ILE 11 2HG2 ILE 11 -7.820 -6.070 -6.070 87 3HG2 ILE 11 1HG2 ILE 11 -9.069 -6.125 -6.125 88 1HD1 ILE 11 3HD1 ILE 11 -6.185 -2.488 -2.488 89 2HD1 ILE 11 2HD1 ILE 11 -5.322 -4.023 -4.023 90 3HD1 ILE 11 1HD1 ILE 11 -4.929 -2.787 -2.787 91 H ILE 12 H ILE 12 -11.504 -2.436 -2.436 92 HA ILE 12 HA ILE 12 -12.400 -4.180 -4.180 93 HB ILE 12 HB ILE 12 -14.043 -2.138 -2.138 94 1HG1 ILE 12 2HG1 ILE 12 -12.490 -1.899 -1.899 95 2HG1 ILE 12 1HG1 ILE 12 -12.317 -0.903 -0.903 96 1HG2 ILE 12 2HG2 ILE 12 -14.990 -4.200 -4.200 97 2HG2 ILE 12 1HG2 ILE 12 -14.663 -3.146 -3.146 98 3HG2 ILE 12 3HG2 ILE 12 -15.764 -2.619 -2.619 99 1HD1 ILE 12 3HD1 ILE 12 -14.989 -0.572 -0.572 100 2HD1 ILE 12 2HD1 ILE 12 -14.251 -0.677 -0.677 101 3HD1 ILE 12 1HD1 ILE 12 -13.703 0.547 0.547 102 H ASN 13 H ASN 13 -11.611 -5.794 -5.794 103 HA ASN 13 HA ASN 13 -13.006 -6.215 -6.215 104 1HB ASN 13 2HB ASN 13 -10.713 -7.137 -7.137 105 2HB ASN 13 1HB ASN 13 -11.614 -8.400 -8.400 106 1HD2 ASN 13 2HD2 ASN 13 -12.063 -8.233 -8.233 107 2HD2 ASN 13 1HD2 ASN 13 -11.905 -6.783 -6.783 108 H THR 14 H THR 14 -15.213 -6.032 -6.032 109 HA THR 14 HA THR 14 -16.466 -8.616 -8.616 110 HB THR 14 HB THR 14 -17.974 -7.323 -7.323 111 HG1 THR 14 HG1 THR 14 -16.618 -5.826 -5.826 112 1HG2 THR 14 2HG2 THR 14 -16.470 -9.266 -9.266 113 2HG2 THR 14 1HG2 THR 14 -15.155 -8.125 -8.125 114 3HG2 THR 14 3HG2 THR 14 -16.571 -8.123 -8.123 115 HA PRO 15 HA PRO 15 -18.432 -5.599 -5.599 116 1HB PRO 15 2HB PRO 15 -18.189 -7.177 -7.177 117 2HB PRO 15 1HB PRO 15 -16.993 -5.971 -5.971 118 1HG PRO 15 2HG PRO 15 -16.862 -8.942 -8.942 119 2HG PRO 15 1HG PRO 15 -15.543 -7.764 -7.764 120 1HD PRO 15 2HD PRO 15 -16.378 -9.061 -9.061 121 2HD PRO 15 1HD PRO 15 -15.327 -7.629 -7.629 122 H ILE 16 H ILE 16 -20.304 -6.199 -6.199 123 HA ILE 16 HA ILE 16 -21.988 -8.332 -8.332 124 HB ILE 16 HB ILE 16 -22.602 -7.454 -7.454 125 1HG1 ILE 16 2HG1 ILE 16 -20.390 -9.460 -9.460 126 2HG1 ILE 16 1HG1 ILE 16 -20.105 -7.817 -7.817 127 1HG2 ILE 16 2HG2 ILE 16 -23.089 -9.727 -9.727 128 2HG2 ILE 16 1HG2 ILE 16 -22.678 -10.220 -10.220 129 3HG2 ILE 16 3HG2 ILE 16 -24.047 -9.145 -9.145 130 1HD1 ILE 16 3HD1 ILE 16 -22.050 -9.505 -9.505 131 2HD1 ILE 16 2HD1 ILE 16 -20.331 -9.843 -9.843 132 3HD1 ILE 16 1HD1 ILE 16 -20.967 -8.242 -8.242 133 H ILE 17 H ILE 17 -24.437 -7.594 -7.594 134 HA ILE 17 HA ILE 17 -24.854 -4.900 -4.900 135 HB ILE 17 HB ILE 17 -27.187 -6.629 -6.629 136 1HG1 ILE 17 2HG1 ILE 17 -25.699 -8.271 -8.271 137 2HG1 ILE 17 1HG1 ILE 17 -27.014 -7.860 -7.860 138 1HG2 ILE 17 3HG2 ILE 17 -26.488 -4.772 -4.772 139 2HG2 ILE 17 2HG2 ILE 17 -27.983 -5.704 -5.704 140 3HG2 ILE 17 1HG2 ILE 17 -27.644 -4.486 -4.486 141 1HD1 ILE 17 1HD1 ILE 17 -24.916 -5.993 -5.993 142 2HD1 ILE 17 3HD1 ILE 17 -24.184 -7.597 -7.597 143 3HD1 ILE 17 2HD1 ILE 17 -25.495 -7.269 -7.269 144 H ASN 18 H ASN 18 -23.731 -5.233 -5.233 145 HA ASN 18 HA ASN 18 -25.708 -3.636 -3.636 146 1HB ASN 18 2HB ASN 18 -24.232 -5.981 -5.981 147 2HB ASN 18 1HB ASN 18 -25.512 -5.004 -5.004 148 1HD2 ASN 18 2HD2 ASN 18 -28.126 -6.602 -6.602 149 2HD2 ASN 18 1HD2 ASN 18 -27.696 -5.103 -5.103 150 H CYS 19 H CYS 19 -24.386 -1.800 -1.800 151 HA CYS 19 HA CYS 19 -21.495 -1.947 -1.947 152 1HB CYS 19 2HB CYS 19 -23.259 0.528 0.528 153 2HB CYS 19 1HB CYS 19 -21.499 0.509 0.509 154 H ASN 20 H ASN 20 -24.235 -1.667 -1.667 155 HA ASN 20 HA ASN 20 -22.773 -0.242 -0.242 156 1HB ASN 20 2HB ASN 20 -24.813 -0.864 -0.864 157 2HB ASN 20 1HB ASN 20 -25.143 0.128 0.128 158 1HD2 ASN 20 2HD2 ASN 20 -26.621 -3.668 -3.668 159 2HD2 ASN 20 1HD2 ASN 20 -25.576 -3.083 -3.083 160 H THR 21 H THR 21 -23.974 -3.556 -3.556 161 HA THR 21 HA THR 21 -22.977 -4.719 -4.719 162 HB THR 21 HB THR 21 -22.842 -6.829 -6.829 163 HG1 THR 21 HG1 THR 21 -23.019 -5.750 -5.750 164 1HG2 THR 21 1HG2 THR 21 -24.900 -5.567 -5.567 165 2HG2 THR 21 3HG2 THR 21 -25.624 -6.223 -6.223 166 3HG2 THR 21 2HG2 THR 21 -24.714 -7.277 -7.277 167 H ILE 22 H ILE 22 -21.382 -3.954 -3.954 168 HA ILE 22 HA ILE 22 -18.956 -5.444 -5.444 169 HB ILE 22 HB ILE 22 -18.024 -4.429 -4.429 170 1HG1 ILE 22 2HG1 ILE 22 -20.708 -3.042 -3.042 171 2HG1 ILE 22 1HG1 ILE 22 -19.231 -2.227 -2.227 172 1HG2 ILE 22 1HG2 ILE 22 -20.829 -5.558 -5.558 173 2HG2 ILE 22 3HG2 ILE 22 -19.763 -5.358 -5.358 174 3HG2 ILE 22 2HG2 ILE 22 -19.310 -6.451 -6.451 175 1HD1 ILE 22 3HD1 ILE 22 -18.144 -3.039 -3.039 176 2HD1 ILE 22 2HD1 ILE 22 -19.736 -3.588 -3.588 177 3HD1 ILE 22 1HD1 ILE 22 -19.444 -1.873 -1.873 178 H MET 23 H MET 23 -20.029 -2.067 -2.067 179 HA MET 23 HA MET 23 -17.381 -1.269 -1.269 180 1HB MET 23 2HB MET 23 -18.103 1.022 1.022 181 2HB MET 23 1HB MET 23 -18.474 0.130 0.130 182 1HG MET 23 2HG MET 23 -20.554 1.019 1.019 183 2HG MET 23 1HG MET 23 -20.777 -0.225 -0.225 184 1HE MET 23 2HE MET 23 -21.835 0.138 0.138 185 2HE MET 23 1HE MET 23 -21.472 1.192 1.192 186 3HE MET 23 3HE MET 23 -22.630 1.705 1.705 187 H ASP 24 H ASP 24 -19.736 -2.830 -2.830 188 HA ASP 24 HA ASP 24 -20.689 -1.173 -1.173 189 1HB ASP 24 2HB ASP 24 -20.505 -4.122 -4.122 190 2HB ASP 24 1HB ASP 24 -20.847 -3.605 -3.605 191 H ASN 25 H ASN 25 -18.860 -0.032 -0.032 192 HA ASN 25 HA ASN 25 -17.285 -1.388 -1.388 193 1HB ASN 25 2HB ASN 25 -16.070 -1.957 -1.957 194 2HB ASN 25 1HB ASN 25 -15.804 -0.246 -0.246 195 1HD2 ASN 25 2HD2 ASN 25 -12.791 -0.664 -0.664 196 2HD2 ASN 25 1HD2 ASN 25 -13.513 -0.264 -0.264 197 H ASN 26 H ASN 26 -16.004 0.166 0.166 198 HA ASN 26 HA ASN 26 -17.270 2.788 2.788 199 1HB ASN 26 2HB ASN 26 -14.850 1.594 1.594 200 2HB ASN 26 1HB ASN 26 -15.500 3.190 3.190 201 1HD2 ASN 26 2HD2 ASN 26 -18.445 1.904 1.904 202 2HD2 ASN 26 1HD2 ASN 26 -17.819 3.251 3.251 203 H ILE 27 H ILE 27 -14.730 1.573 1.573 204 HA ILE 27 HA ILE 27 -13.281 4.138 4.138 205 HB ILE 27 HB ILE 27 -12.951 1.634 1.634 206 1HG1 ILE 27 2HG1 ILE 27 -11.439 2.549 2.549 207 2HG1 ILE 27 1HG1 ILE 27 -12.624 1.246 1.246 208 1HG2 ILE 27 1HG2 ILE 27 -11.626 4.279 4.279 209 2HG2 ILE 27 3HG2 ILE 27 -10.523 2.904 2.904 210 3HG2 ILE 27 2HG2 ILE 27 -11.678 3.100 3.100 211 1HD1 ILE 27 1HD1 ILE 27 -10.908 0.573 0.573 212 2HD1 ILE 27 3HD1 ILE 27 -9.823 1.228 1.228 213 3HD1 ILE 27 2HD1 ILE 27 -10.881 -0.125 -0.125 214 H TYR 28 H TYR 28 -16.232 3.397 3.397 215 HA TYR 28 HA TYR 28 -15.939 5.112 5.112 216 1HB TYR 28 2HB TYR 28 -17.313 2.406 2.406 217 2HB TYR 28 1HB TYR 28 -17.531 3.584 3.584 218 HD1 TYR 28 HD2 TYR 28 -15.191 4.633 4.633 219 HD2 TYR 28 HD1 TYR 28 -15.703 0.761 0.761 220 HE1 TYR 28 HE2 TYR 28 -13.104 3.863 3.863 221 HE2 TYR 28 HE1 TYR 28 -13.605 -0.008 -0.008 222 HH TYR 28 HH TYR 28 -12.255 0.668 0.668 223 H ILE 29 H ILE 29 -16.896 6.420 6.420 224 HA ILE 29 HA ILE 29 -19.842 6.552 6.552 225 HB ILE 29 HB ILE 29 -18.674 6.341 6.341 226 1HG1 ILE 29 2HG1 ILE 29 -20.242 4.276 4.276 227 2HG1 ILE 29 1HG1 ILE 29 -18.522 4.175 4.175 228 1HG2 ILE 29 2HG2 ILE 29 -21.357 6.881 6.881 229 2HG2 ILE 29 1HG2 ILE 29 -21.318 5.860 5.860 230 3HG2 ILE 29 3HG2 ILE 29 -20.650 7.491 7.491 231 1HD1 ILE 29 1HD1 ILE 29 -19.216 4.406 4.406 232 2HD1 ILE 29 3HD1 ILE 29 -20.847 4.027 4.027 233 3HD1 ILE 29 2HD1 ILE 29 -19.542 2.864 2.864 234 H VAL 30 H VAL 30 -20.755 8.519 8.519 235 HA VAL 30 HA VAL 30 -18.796 10.781 10.781 236 HB VAL 30 HB VAL 30 -21.660 10.805 10.805 237 1HG1 VAL 30 2HG1 VAL 30 -19.538 12.928 12.928 238 2HG1 VAL 30 1HG1 VAL 30 -20.829 13.095 13.095 239 3HG1 VAL 30 3HG1 VAL 30 -21.223 12.967 12.967 240 1HG2 VAL 30 3HG2 VAL 30 -18.953 10.638 10.638 241 2HG2 VAL 30 2HG2 VAL 30 -20.427 9.748 9.748 242 3HG2 VAL 30 1HG2 VAL 30 -20.280 11.446 11.446 243 H GLY 31 H GLY 31 -19.841 12.640 12.640 244 1HA GLY 31 2HA GLY 31 -20.949 11.410 11.410 245 2HA GLY 31 1HA GLY 31 -20.334 13.057 13.057 246 H GLY 32 H GLY 32 -22.832 11.181 11.181 247 1HA GLY 32 2HA GLY 32 -25.011 12.838 12.838 248 2HA GLY 32 1HA GLY 32 -24.616 13.152 13.152 249 H GLN 33 H GLN 33 -24.108 10.795 10.795 250 HA GLN 33 HA GLN 33 -25.896 8.634 8.634 251 1HB GLN 33 2HB GLN 33 -27.529 10.283 10.283 252 2HB GLN 33 1HB GLN 33 -26.666 10.261 10.261 253 1HG GLN 33 2HG GLN 33 -28.233 8.646 8.646 254 2HG GLN 33 1HG GLN 33 -27.027 7.617 7.617 255 1HE2 GLN 33 2HE2 GLN 33 -29.216 6.708 6.708 256 2HE2 GLN 33 1HE2 GLN 33 -27.825 6.357 6.357 257 H CYS 34 H CYS 34 -24.850 9.931 9.931 258 HA CYS 34 HA CYS 34 -22.938 7.677 7.677 259 1HB CYS 34 2HB CYS 34 -25.248 8.319 8.319 260 2HB CYS 34 1HB CYS 34 -23.861 7.357 7.357 261 H LYS 35 H LYS 35 -21.970 8.070 8.070 262 HA LYS 35 HA LYS 35 -21.064 10.915 10.915 263 1HB LYS 35 2HB LYS 35 -19.542 8.643 8.643 264 2HB LYS 35 1HB LYS 35 -19.601 8.946 8.946 265 1HG LYS 35 2HG LYS 35 -18.497 10.979 10.979 266 2HG LYS 35 1HG LYS 35 -19.042 11.249 11.249 267 1HD LYS 35 2HD LYS 35 -16.912 10.627 10.627 268 2HD LYS 35 1HD LYS 35 -17.552 8.996 8.996 269 1HE LYS 35 2HE LYS 35 -16.927 9.709 9.709 270 2HE LYS 35 1HE LYS 35 -15.630 10.460 10.460 271 1HZ LYS 35 2HZ LYS 35 -16.455 7.654 7.654 272 2HZ LYS 35 1HZ LYS 35 -15.292 8.074 8.074 273 3HZ LYS 35 3HZ LYS 35 -15.012 8.416 8.416 274 H ARG 36 H ARG 36 -20.609 11.838 11.838 275 HA ARG 36 HA ARG 36 -22.926 11.517 11.517 276 1HB ARG 36 2HB ARG 36 -20.599 13.326 13.326 277 2HB ARG 36 1HB ARG 36 -21.124 13.042 13.042 278 1HG ARG 36 2HG ARG 36 -22.375 14.926 14.926 279 2HG ARG 36 1HG ARG 36 -23.488 13.557 13.557 280 1HD ARG 36 2HD ARG 36 -23.104 13.206 13.206 281 2HD ARG 36 1HD ARG 36 -21.956 14.544 14.544 282 HE ARG 36 HE ARG 36 -24.896 14.826 14.826 283 1HH1 ARG 36 2HH1 ARG 36 -22.844 16.852 16.852 284 2HH1 ARG 36 1HH1 ARG 36 -22.928 18.102 18.102 285 1HH2 ARG 36 1HH2 ARG 36 -24.563 16.121 16.121 286 2HH2 ARG 36 2HH2 ARG 36 -23.906 17.688 17.688 287 H VAL 37 H VAL 37 -19.684 10.195 10.195 288 HA VAL 37 HA VAL 37 -20.371 8.467 8.467 289 HB VAL 37 HB VAL 37 -19.488 10.554 10.554 290 1HG1 VAL 37 1HG1 VAL 37 -17.775 10.971 10.971 291 2HG1 VAL 37 3HG1 VAL 37 -16.773 9.780 9.780 292 3HG1 VAL 37 2HG1 VAL 37 -17.251 11.261 11.261 293 1HG2 VAL 37 3HG2 VAL 37 -19.257 8.168 8.168 294 2HG2 VAL 37 2HG2 VAL 37 -18.163 9.373 9.373 295 3HG2 VAL 37 1HG2 VAL 37 -17.580 8.239 8.239 296 H ASN 38 H ASN 38 -19.911 6.571 6.571 297 HA ASN 38 HA ASN 38 -17.525 6.201 6.201 298 1HB ASN 38 2HB ASN 38 -19.531 4.054 4.054 299 2HB ASN 38 1HB ASN 38 -18.438 4.067 4.067 300 1HD2 ASN 38 2HD2 ASN 38 -21.777 4.974 4.974 301 2HD2 ASN 38 1HD2 ASN 38 -21.069 3.608 3.608 302 H THR 39 H THR 39 -16.033 6.587 6.587 303 HA THR 39 HA THR 39 -16.049 4.909 4.909 304 HB THR 39 HB THR 39 -13.853 6.742 6.742 305 HG1 THR 39 HG1 THR 39 -15.208 8.270 8.270 306 1HG2 THR 39 3HG2 THR 39 -13.858 4.968 4.968 307 2HG2 THR 39 2HG2 THR 39 -14.382 6.467 6.467 308 3HG2 THR 39 1HG2 THR 39 -12.852 6.412 6.412 309 H PHE 40 H PHE 40 -15.561 2.810 2.810 310 HA PHE 40 HA PHE 40 -13.288 2.029 2.029 311 1HB PHE 40 2HB PHE 40 -15.165 0.158 0.158 312 2HB PHE 40 1HB PHE 40 -14.192 -0.189 -0.189 313 HD1 PHE 40 HD1 PHE 40 -14.701 1.941 1.941 314 HD2 PHE 40 HD2 PHE 40 -17.436 0.060 0.060 315 HE1 PHE 40 HE1 PHE 40 -16.602 2.586 2.586 316 HE2 PHE 40 HE2 PHE 40 -19.334 0.713 0.713 317 HZ PHE 40 HZ PHE 40 -18.918 1.971 1.971 318 H ILE 41 H ILE 41 -11.600 0.533 0.533 319 HA ILE 41 HA ILE 41 -11.354 1.055 1.055 320 HB ILE 41 HB ILE 41 -9.207 0.636 0.636 321 1HG1 ILE 41 2HG1 ILE 41 -8.736 3.055 3.055 322 2HG1 ILE 41 1HG1 ILE 41 -10.494 2.990 2.990 323 1HG2 ILE 41 2HG2 ILE 41 -9.059 0.050 0.050 324 2HG2 ILE 41 1HG2 ILE 41 -8.320 1.642 1.642 325 3HG2 ILE 41 3HG2 ILE 41 -7.697 0.287 0.287 326 1HD1 ILE 41 1HD1 ILE 41 -10.553 2.397 2.397 327 2HD1 ILE 41 3HD1 ILE 41 -8.817 2.701 2.701 328 3HD1 ILE 41 2HD1 ILE 41 -9.929 4.012 4.012 329 H ILE 42 H ILE 42 -11.474 -0.692 -0.692 330 HA ILE 42 HA ILE 42 -11.202 -3.402 -3.402 331 HB ILE 42 HB ILE 42 -13.404 -2.930 -2.930 332 1HG1 ILE 42 2HG1 ILE 42 -11.932 -4.901 -4.901 333 2HG1 ILE 42 1HG1 ILE 42 -12.239 -5.226 -5.226 334 1HG2 ILE 42 1HG2 ILE 42 -12.453 -1.367 -1.367 335 2HG2 ILE 42 3HG2 ILE 42 -11.953 -2.810 -2.810 336 3HG2 ILE 42 2HG2 ILE 42 -13.661 -2.514 -2.514 337 1HD1 ILE 42 1HD1 ILE 42 -14.659 -4.264 -4.264 338 2HD1 ILE 42 3HD1 ILE 42 -14.013 -5.636 -5.636 339 3HD1 ILE 42 2HD1 ILE 42 -14.369 -5.799 -5.799 340 H SER 43 H SER 43 -9.360 -4.404 -4.404 341 HA SER 43 HA SER 43 -8.218 -4.970 -4.970 342 1HB SER 43 2HB SER 43 -7.700 -2.571 -2.571 343 2HB SER 43 1HB SER 43 -6.938 -2.579 -2.579 344 HG SER 43 HG SER 43 -5.759 -2.992 -2.992 345 H SER 44 H SER 44 -6.212 -6.198 -6.198 346 HA SER 44 HA SER 44 -6.005 -7.656 -7.656 347 1HB SER 44 2HB SER 44 -3.565 -8.105 -8.105 348 2HB SER 44 1HB SER 44 -5.011 -8.849 -8.849 349 HG SER 44 HG SER 44 -4.331 -7.912 -7.912 350 H ALA 45 H ALA 45 -5.322 -6.985 -6.985 351 HA ALA 45 HA ALA 45 -4.419 -4.502 -4.502 352 1HB ALA 45 3HB ALA 45 -4.015 -7.205 -7.205 353 2HB ALA 45 2HB ALA 45 -3.384 -5.750 -5.750 354 3HB ALA 45 1HB ALA 45 -5.115 -5.915 -5.915 355 H THR 46 H THR 46 -2.196 -7.270 -7.270 356 HA THR 46 HA THR 46 0.165 -5.796 -5.796 357 HB THR 46 HB THR 46 0.173 -8.193 -8.193 358 HG1 THR 46 HG1 THR 46 2.182 -7.847 -7.847 359 1HG2 THR 46 1HG2 THR 46 -0.843 -7.811 -7.811 360 2HG2 THR 46 3HG2 THR 46 0.317 -9.124 -9.124 361 3HG2 THR 46 2HG2 THR 46 -1.170 -9.110 -9.110 362 H THR 47 H THR 47 -1.672 -5.979 -5.979 363 HA THR 47 HA THR 47 0.372 -4.907 -4.907 364 HB THR 47 HB THR 47 -2.545 -4.257 -4.257 365 HG1 THR 47 HG1 THR 47 -1.262 -6.761 -6.761 366 1HG2 THR 47 3HG2 THR 47 -0.135 -4.158 -4.158 367 2HG2 THR 47 2HG2 THR 47 -1.195 -5.372 -5.372 368 3HG2 THR 47 1HG2 THR 47 -1.769 -3.720 -3.720 369 H VAL 48 H VAL 48 -1.964 -3.530 -3.530 370 HA VAL 48 HA VAL 48 -1.443 -0.749 -0.749 371 HB VAL 48 HB VAL 48 -2.496 -1.947 -1.947 372 1HG1 VAL 48 3HG1 VAL 48 -1.753 0.668 0.668 373 2HG1 VAL 48 2HG1 VAL 48 -3.497 0.665 0.665 374 3HG1 VAL 48 1HG1 VAL 48 -2.838 0.164 0.164 375 1HG2 VAL 48 1HG2 VAL 48 -3.720 -1.532 -1.532 376 2HG2 VAL 48 3HG2 VAL 48 -4.146 -2.682 -2.682 377 3HG2 VAL 48 2HG2 VAL 48 -4.684 -1.008 -1.008 378 H LYS 49 H LYS 49 -0.119 -3.183 -3.183 379 HA LYS 49 HA LYS 49 1.516 -1.523 -1.523 380 1HB LYS 49 2HB LYS 49 0.992 -3.952 -3.952 381 2HB LYS 49 1HB LYS 49 2.101 -4.371 -4.371 382 1HG LYS 49 2HG LYS 49 3.967 -3.385 -3.385 383 2HG LYS 49 1HG LYS 49 2.901 -2.720 -2.720 384 1HD LYS 49 2HD LYS 49 3.550 -4.630 -4.630 385 2HD LYS 49 1HD LYS 49 2.193 -5.301 -5.301 386 1HE LYS 49 2HE LYS 49 3.794 -5.936 -5.936 387 2HE LYS 49 1HE LYS 49 5.118 -5.394 -5.394 388 1HZ LYS 49 1HZ LYS 49 3.571 -7.094 -7.094 389 2HZ LYS 49 3HZ LYS 49 3.721 -7.858 -7.858 390 3HZ LYS 49 2HZ LYS 49 5.110 -7.400 -7.400 391 H ALA 50 H ALA 50 1.815 -2.557 -2.557 392 HA ALA 50 HA ALA 50 4.688 -2.041 -2.041 393 1HB ALA 50 1HB ALA 50 2.639 -3.223 -3.223 394 2HB ALA 50 3HB ALA 50 3.616 -2.070 -2.070 395 3HB ALA 50 2HB ALA 50 4.389 -3.413 -3.413 396 H ILE 51 H ILE 51 1.659 -0.318 -0.318 397 HA ILE 51 HA ILE 51 2.916 1.840 1.840 398 HB ILE 51 HB ILE 51 0.481 1.336 1.336 399 1HG1 ILE 51 2HG1 ILE 51 -0.222 3.816 3.816 400 2HG1 ILE 51 1HG1 ILE 51 1.459 4.087 4.087 401 1HG2 ILE 51 3HG2 ILE 51 0.673 1.866 1.866 402 2HG2 ILE 51 2HG2 ILE 51 -0.610 2.790 2.790 403 3HG2 ILE 51 1HG2 ILE 51 -0.586 1.033 1.033 404 1HD1 ILE 51 2HD1 ILE 51 1.545 2.490 2.490 405 2HD1 ILE 51 1HD1 ILE 51 0.321 3.723 3.723 406 3HD1 ILE 51 3HD1 ILE 51 1.957 4.201 4.201 407 H CYS 52 H CYS 52 2.600 1.198 1.198 408 HA CYS 52 HA CYS 52 3.447 3.967 3.967 409 1HB CYS 52 2HB CYS 52 1.671 2.258 2.258 410 2HB CYS 52 1HB CYS 52 3.122 2.109 2.109 411 H THR 53 H THR 53 5.197 1.818 1.818 412 HA THR 53 HA THR 53 7.194 1.261 1.261 413 HB THR 53 HB THR 53 7.518 0.739 0.739 414 HG1 THR 53 HG1 THR 53 6.179 -0.802 -0.802 415 1HG2 THR 53 1HG2 THR 53 8.674 -0.367 -0.367 416 2HG2 THR 53 3HG2 THR 53 8.800 -1.238 -1.238 417 3HG2 THR 53 2HG2 THR 53 9.528 0.360 0.360 418 H GLY 54 H GLY 54 8.482 2.958 2.958 419 1HA GLY 54 2HA GLY 54 10.109 4.268 4.268 420 2HA GLY 54 1HA GLY 54 8.935 5.357 5.357 421 H VAL 55 H VAL 55 8.926 4.910 4.910 422 HA VAL 55 HA VAL 55 11.555 4.396 4.396 423 HB VAL 55 HB VAL 55 11.645 6.716 6.716 424 1HG1 VAL 55 3HG1 VAL 55 9.268 7.171 7.171 425 2HG1 VAL 55 2HG1 VAL 55 10.374 7.914 7.914 426 3HG1 VAL 55 1HG1 VAL 55 10.366 8.448 8.448 427 1HG2 VAL 55 3HG2 VAL 55 12.908 5.721 5.721 428 2HG2 VAL 55 2HG2 VAL 55 13.278 7.283 7.283 429 3HG2 VAL 55 1HG2 VAL 55 12.200 7.196 7.196 430 H ILE 56 H ILE 56 11.355 5.343 5.343 431 HA ILE 56 HA ILE 56 8.998 3.973 3.973 432 HB ILE 56 HB ILE 56 11.295 3.716 3.716 433 1HG1 ILE 56 2HG1 ILE 56 9.569 5.009 5.009 434 2HG1 ILE 56 1HG1 ILE 56 9.079 3.498 3.498 435 1HG2 ILE 56 1HG2 ILE 56 11.964 6.119 6.119 436 2HG2 ILE 56 3HG2 ILE 56 10.916 6.540 6.540 437 3HG2 ILE 56 2HG2 ILE 56 12.311 5.492 5.492 438 1HD1 ILE 56 1HD1 ILE 56 11.390 2.602 2.602 439 2HD1 ILE 56 3HD1 ILE 56 11.584 4.036 4.036 440 3HD1 ILE 56 2HD1 ILE 56 10.302 2.876 2.876 441 H ASN 57 H ASN 57 8.787 6.749 6.749 442 HA ASN 57 HA ASN 57 6.619 7.849 7.849 443 1HB ASN 57 2HB ASN 57 8.684 8.369 8.369 444 2HB ASN 57 1HB ASN 57 9.032 9.602 9.602 445 1HD2 ASN 57 2HD2 ASN 57 5.541 9.954 9.954 446 2HD2 ASN 57 1HD2 ASN 57 6.191 8.408 8.408 447 H MET 58 H MET 58 5.603 8.636 8.636 448 HA MET 58 HA MET 58 6.842 10.776 10.776 449 1HB MET 58 2HB MET 58 7.463 8.210 8.210 450 2HB MET 58 1HB MET 58 6.081 8.602 8.602 451 1HG MET 58 2HG MET 58 7.335 10.874 10.874 452 2HG MET 58 1HG MET 58 8.749 9.977 9.977 453 1HE MET 58 3HE MET 58 10.200 8.909 8.909 454 2HE MET 58 2HE MET 58 9.282 7.425 7.425 455 3HE MET 58 1HE MET 58 9.849 7.843 7.843 456 H ASN 59 H ASN 59 5.367 11.033 11.033 457 HA ASN 59 HA ASN 59 2.487 10.591 10.591 458 1HB ASN 59 2HB ASN 59 3.124 12.885 12.885 459 2HB ASN 59 1HB ASN 59 3.700 13.249 13.249 460 1HD2 ASN 59 2HD2 ASN 59 0.460 13.814 13.814 461 2HD2 ASN 59 1HD2 ASN 59 2.123 13.718 13.718 462 H VAL 60 H VAL 60 1.573 9.662 9.662 463 HA VAL 60 HA VAL 60 2.545 10.478 10.478 464 HB VAL 60 HB VAL 60 3.916 8.536 8.536 465 1HG1 VAL 60 2HG1 VAL 60 1.955 7.698 7.698 466 2HG1 VAL 60 1HG1 VAL 60 1.460 6.816 6.816 467 3HG1 VAL 60 3HG1 VAL 60 3.052 6.531 6.531 468 1HG2 VAL 60 3HG2 VAL 60 3.078 8.798 8.798 469 2HG2 VAL 60 2HG2 VAL 60 3.470 7.140 7.140 470 3HG2 VAL 60 1HG2 VAL 60 1.788 7.662 7.662 471 H LEU 61 H LEU 61 1.078 9.640 9.640 472 HA LEU 61 HA LEU 61 -1.711 9.217 9.217 473 1HB LEU 61 2HB LEU 61 -0.973 10.651 10.651 474 2HB LEU 61 1HB LEU 61 -2.550 10.592 10.592 475 HG LEU 61 HG LEU 61 -1.209 11.671 11.671 476 1HD1 LEU 61 1HD1 LEU 61 0.557 11.964 11.964 477 2HD1 LEU 61 3HD1 LEU 61 0.351 13.399 13.399 478 3HD1 LEU 61 2HD1 LEU 61 0.974 11.909 11.909 479 1HD2 LEU 61 1HD2 LEU 61 -3.122 12.641 12.641 480 2HD2 LEU 61 3HD2 LEU 61 -1.963 13.841 13.841 481 3HD2 LEU 61 2HD2 LEU 61 -1.936 13.309 13.309 482 H SER 62 H SER 62 -2.366 7.192 7.192 483 HA SER 62 HA SER 62 -1.116 5.419 5.419 484 1HB SER 62 2HB SER 62 -4.077 5.315 5.315 485 2HB SER 62 1HB SER 62 -2.940 3.987 3.987 486 HG SER 62 HG SER 62 -3.511 4.346 4.346 487 H THR 63 H THR 63 -0.711 6.531 6.531 488 HA THR 63 HA THR 63 -2.818 7.859 7.859 489 HB THR 63 HB THR 63 -1.008 7.512 7.512 490 HG1 THR 63 HG1 THR 63 0.848 6.785 6.785 491 1HG2 THR 63 1HG2 THR 63 -0.976 9.339 9.339 492 2HG2 THR 63 3HG2 THR 63 0.339 9.427 9.427 493 3HG2 THR 63 2HG2 THR 63 -1.324 9.707 9.707 494 H THR 64 H THR 64 -1.068 4.766 4.766 495 HA THR 64 HA THR 64 -2.571 3.776 3.776 496 HB THR 64 HB THR 64 -1.963 1.467 1.467 497 HG1 THR 64 HG1 THR 64 -0.029 1.879 1.879 498 1HG2 THR 64 3HG2 THR 64 0.023 3.437 3.437 499 2HG2 THR 64 2HG2 THR 64 0.355 1.718 1.718 500 3HG2 THR 64 1HG2 THR 64 -0.919 2.235 2.235 501 H ARG 65 H ARG 65 -4.708 3.516 3.516 502 HA ARG 65 HA ARG 65 -6.571 3.706 3.706 503 1HB ARG 65 2HB ARG 65 -8.131 2.502 2.502 504 2HB ARG 65 1HB ARG 65 -7.126 3.615 3.615 505 1HG ARG 65 2HG ARG 65 -5.591 1.369 1.369 506 2HG ARG 65 1HG ARG 65 -7.201 0.656 0.656 507 1HD ARG 65 2HD ARG 65 -7.519 1.176 1.176 508 2HD ARG 65 1HD ARG 65 -7.234 2.882 2.882 509 HE ARG 65 HE ARG 65 -4.713 2.153 2.153 510 1HH1 ARG 65 1HH2 ARG 65 -5.245 -0.600 -0.600 511 2HH1 ARG 65 2HH2 ARG 65 -5.245 -0.434 -0.434 512 1HH2 ARG 65 2HH1 ARG 65 -5.628 3.009 3.009 513 2HH2 ARG 65 1HH1 ARG 65 -5.461 1.608 1.608 514 H PHE 66 H PHE 66 -6.446 2.645 2.645 515 HA PHE 66 HA PHE 66 -5.854 -0.294 -0.294 516 1HB PHE 66 2HB PHE 66 -5.937 1.880 1.880 517 2HB PHE 66 1HB PHE 66 -6.076 0.191 0.191 518 HD1 PHE 66 HD2 PHE 66 -4.197 -1.406 -1.406 519 HD2 PHE 66 HD1 PHE 66 -3.842 2.779 2.779 520 HE1 PHE 66 HE2 PHE 66 -1.748 -1.654 -1.654 521 HE2 PHE 66 HE1 PHE 66 -1.389 2.511 2.511 522 HZ PHE 66 HZ PHE 66 -0.343 0.297 0.297 523 H GLN 67 H GLN 67 -8.316 0.467 0.467 524 HA GLN 67 HA GLN 67 -10.653 0.258 0.258 525 1HB GLN 67 2HB GLN 67 -9.316 -2.130 -2.130 526 2HB GLN 67 1HB GLN 67 -10.492 -2.167 -2.167 527 1HG GLN 67 2HG GLN 67 -11.446 -3.162 -3.162 528 2HG GLN 67 1HG GLN 67 -12.305 -1.683 -1.683 529 1HE2 GLN 67 2HE2 GLN 67 -9.613 -1.241 -1.241 530 2HE2 GLN 67 1HE2 GLN 67 -9.135 -2.060 -2.060 531 H LEU 68 H LEU 68 -11.858 1.698 1.698 532 HA LEU 68 HA LEU 68 -11.801 1.513 1.513 533 1HB LEU 68 2HB LEU 68 -12.842 3.683 3.683 534 2HB LEU 68 1HB LEU 68 -11.572 3.749 3.749 535 HG LEU 68 HG LEU 68 -13.469 3.141 3.141 536 1HD1 LEU 68 2HD1 LEU 68 -14.959 3.335 3.335 537 2HD1 LEU 68 1HD1 LEU 68 -15.527 4.566 4.566 538 3HD1 LEU 68 3HD1 LEU 68 -15.535 2.868 2.868 539 1HD2 LEU 68 1HD2 LEU 68 -12.648 5.684 5.684 540 2HD2 LEU 68 3HD2 LEU 68 -12.928 5.280 5.280 541 3HD2 LEU 68 2HD2 LEU 68 -14.271 5.771 5.771 542 H ASN 69 H ASN 69 -13.601 1.230 1.230 543 HA ASN 69 HA ASN 69 -16.120 0.275 0.275 544 1HB ASN 69 2HB ASN 69 -14.652 -1.410 -1.410 545 2HB ASN 69 1HB ASN 69 -15.380 -0.555 -0.555 546 1HD2 ASN 69 2HD2 ASN 69 -17.793 -2.833 -2.833 547 2HD2 ASN 69 1HD2 ASN 69 -16.289 -2.310 -2.310 548 H THR 70 H THR 70 -17.201 2.318 2.318 549 HA THR 70 HA THR 70 -17.147 3.655 3.655 550 HB THR 70 HB THR 70 -17.989 4.847 4.847 551 HG1 THR 70 HG1 THR 70 -15.549 5.041 5.041 552 1HG2 THR 70 1HG2 THR 70 -17.290 6.080 6.080 553 2HG2 THR 70 3HG2 THR 70 -17.694 6.974 6.974 554 3HG2 THR 70 2HG2 THR 70 -18.910 5.962 5.962 555 H CYS 71 H CYS 71 -18.827 3.733 3.733 556 HA CYS 71 HA CYS 71 -21.562 3.204 3.204 557 1HB CYS 71 2HB CYS 71 -20.490 2.731 2.731 558 2HB CYS 71 1HB CYS 71 -22.173 2.533 2.533 559 H THR 72 H THR 72 -22.481 5.222 5.222 560 HA THR 72 HA THR 72 -21.667 7.339 7.339 561 HB THR 72 HB THR 72 -23.086 7.849 7.849 562 HG1 THR 72 HG1 THR 72 -21.362 6.932 6.932 563 1HG2 THR 72 1HG2 THR 72 -21.221 9.448 9.448 564 2HG2 THR 72 3HG2 THR 72 -21.781 9.988 9.988 565 3HG2 THR 72 2HG2 THR 72 -22.937 9.747 9.747 566 H ARG 73 H ARG 73 -23.190 8.515 8.515 567 HA ARG 73 HA ARG 73 -25.754 7.340 7.340 568 1HB ARG 73 2HB ARG 73 -24.425 8.773 8.773 569 2HB ARG 73 1HB ARG 73 -24.810 10.166 10.166 570 1HG ARG 73 2HG ARG 73 -27.237 9.707 9.707 571 2HG ARG 73 1HG ARG 73 -26.790 8.403 8.403 572 1HD ARG 73 2HD ARG 73 -25.327 10.312 10.312 573 2HD ARG 73 1HD ARG 73 -26.511 11.363 11.363 574 HE ARG 73 HE ARG 73 -27.110 9.357 9.357 575 1HH1 ARG 73 2HH1 ARG 73 -28.919 10.417 10.417 576 2HH1 ARG 73 1HH1 ARG 73 -30.048 11.355 11.355 577 1HH2 ARG 73 1HH2 ARG 73 -28.197 11.195 11.195 578 2HH2 ARG 73 2HH2 ARG 73 -29.636 11.798 11.798 579 H THR 74 H THR 74 -27.341 7.314 7.314 580 HA THR 74 HA THR 74 -27.725 9.828 9.828 581 HB THR 74 HB THR 74 -28.720 8.297 8.297 582 HG1 THR 74 HG1 THR 74 -28.352 6.137 6.137 583 1HG2 THR 74 2HG2 THR 74 -26.381 9.211 9.211 584 2HG2 THR 74 1HG2 THR 74 -25.842 7.724 7.724 585 3HG2 THR 74 3HG2 THR 74 -26.551 7.667 7.667 586 H SER 75 H SER 75 -30.272 7.628 7.628 587 HA SER 75 HA SER 75 -31.991 8.638 8.638 588 1HB SER 75 2HB SER 75 -33.679 9.419 9.419 589 2HB SER 75 1HB SER 75 -32.190 10.358 10.358 590 HG SER 75 HG SER 75 -32.814 8.173 8.173 591 H ILE 76 H ILE 76 -34.176 7.561 7.561 592 HA ILE 76 HA ILE 76 -35.505 5.646 5.646 593 HB ILE 76 HB ILE 76 -34.056 4.759 4.759 594 1HG1 ILE 76 2HG1 ILE 76 -36.198 6.914 6.914 595 2HG1 ILE 76 1HG1 ILE 76 -34.498 7.218 7.218 596 1HG2 ILE 76 2HG2 ILE 76 -36.041 3.568 3.568 597 2HG2 ILE 76 1HG2 ILE 76 -37.023 4.806 4.806 598 3HG2 ILE 76 3HG2 ILE 76 -36.071 3.687 3.687 599 1HD1 ILE 76 3HD1 ILE 76 -35.005 5.275 5.275 600 2HD1 ILE 76 2HD1 ILE 76 -36.599 6.024 6.024 601 3HD1 ILE 76 1HD1 ILE 76 -35.195 6.995 6.995 602 H THR 77 H THR 77 -34.119 3.045 3.045 603 HA THR 77 HA THR 77 -32.956 1.226 1.226 604 HB THR 77 HB THR 77 -30.946 2.585 2.585 605 HG1 THR 77 HG1 THR 77 -31.330 3.737 3.737 606 1HG2 THR 77 1HG2 THR 77 -31.113 0.632 0.632 607 2HG2 THR 77 3HG2 THR 77 -30.198 1.933 1.933 608 3HG2 THR 77 2HG2 THR 77 -29.633 1.228 1.228 609 HA PRO 78 HA PRO 78 -34.139 0.707 0.707 610 1HB PRO 78 2HB PRO 78 -32.042 -0.537 -0.537 611 2HB PRO 78 1HB PRO 78 -33.145 -1.360 -1.360 612 1HG PRO 78 2HG PRO 78 -30.325 -0.504 -0.504 613 2HG PRO 78 1HG PRO 78 -31.242 -1.799 -1.799 614 1HD PRO 78 2HD PRO 78 -30.675 0.736 0.736 615 2HD PRO 78 1HD PRO 78 -31.850 -0.430 -0.430 616 H ARG 79 H ARG 79 -34.393 2.648 2.648 617 HA ARG 79 HA ARG 79 -32.051 4.213 4.213 618 1HB ARG 79 2HB ARG 79 -33.746 6.004 6.004 619 2HB ARG 79 1HB ARG 79 -33.815 5.374 5.374 620 1HG ARG 79 2HG ARG 79 -35.947 4.718 4.718 621 2HG ARG 79 1HG ARG 79 -35.535 3.813 3.813 622 1HD ARG 79 2HD ARG 79 -35.792 6.813 6.813 623 2HD ARG 79 1HD ARG 79 -37.222 5.786 5.786 624 HE ARG 79 HE ARG 79 -34.928 5.432 5.432 625 1HH1 ARG 79 1HH2 ARG 79 -36.342 3.777 3.777 626 2HH1 ARG 79 2HH2 ARG 79 -37.708 4.547 4.547 627 1HH2 ARG 79 2HH1 ARG 79 -37.538 7.363 7.363 628 2HH2 ARG 79 1HH1 ARG 79 -38.387 6.575 6.575 629 HA PRO 80 HA PRO 80 -32.333 6.210 6.210 630 1HB PRO 80 2HB PRO 80 -30.678 6.671 6.671 631 2HB PRO 80 1HB PRO 80 -32.405 7.068 7.068 632 1HG PRO 80 2HG PRO 80 -30.999 4.818 4.818 633 2HG PRO 80 1HG PRO 80 -32.494 5.651 5.651 634 1HD PRO 80 2HD PRO 80 -32.348 3.132 3.132 635 2HD PRO 80 1HD PRO 80 -33.798 4.152 4.152 636 H CYS 81 H CYS 81 -30.020 7.022 7.022 637 HA CYS 81 HA CYS 81 -27.878 6.755 6.755 638 1HB CYS 81 2HB CYS 81 -27.989 4.311 4.311 639 2HB CYS 81 1HB CYS 81 -26.534 4.863 4.863 640 HA PRO 82 HA PRO 82 -29.432 3.590 3.590 641 1HB PRO 82 2HB PRO 82 -30.151 5.358 5.358 642 2HB PRO 82 1HB PRO 82 -31.270 4.785 4.785 643 1HG PRO 82 2HG PRO 82 -29.974 7.449 7.449 644 2HG PRO 82 1HG PRO 82 -31.481 7.011 7.011 645 1HD PRO 82 2HD PRO 82 -28.978 7.506 7.506 646 2HD PRO 82 1HD PRO 82 -30.419 6.814 6.814 647 H TYR 83 H TYR 83 -27.890 2.814 2.814 648 HA TYR 83 HA TYR 83 -25.856 4.778 4.778 649 1HB TYR 83 2HB TYR 83 -25.353 2.236 2.236 650 2HB TYR 83 1HB TYR 83 -24.178 2.791 2.791 651 HD1 TYR 83 HD2 TYR 83 -26.217 4.077 4.077 652 HD2 TYR 83 HD1 TYR 83 -22.590 4.352 4.352 653 HE1 TYR 83 HE2 TYR 83 -25.367 5.790 5.790 654 HE2 TYR 83 HE1 TYR 83 -21.738 6.068 6.068 655 HH TYR 83 HH TYR 83 -22.942 6.585 6.585 656 H SER 84 H SER 84 -25.232 4.555 4.555 657 HA SER 84 HA SER 84 -26.236 2.183 2.183 658 1HB SER 84 2HB SER 84 -25.768 3.824 3.824 659 2HB SER 84 1HB SER 84 -27.181 4.142 4.142 660 HG SER 84 HG SER 84 -24.605 5.313 5.313 661 H SER 85 H SER 85 -24.660 0.852 0.852 662 HA SER 85 HA SER 85 -21.827 1.614 1.614 663 1HB SER 85 2HB SER 85 -22.867 -1.065 -1.065 664 2HB SER 85 1HB SER 85 -21.328 -0.718 -0.718 665 HG SER 85 HG SER 85 -23.575 -1.415 -1.415 666 H ARG 86 H ARG 86 -20.275 1.638 1.638 667 HA ARG 86 HA ARG 86 -20.896 0.905 0.905 668 1HB ARG 86 2HB ARG 86 -21.912 3.198 3.198 669 2HB ARG 86 1HB ARG 86 -20.304 3.811 3.811 670 1HG ARG 86 2HG ARG 86 -19.539 3.586 3.586 671 2HG ARG 86 1HG ARG 86 -20.520 2.155 2.155 672 1HD ARG 86 2HD ARG 86 -22.073 4.628 4.628 673 2HD ARG 86 1HD ARG 86 -21.064 4.642 4.642 674 HE ARG 86 HE ARG 86 -22.379 2.852 2.852 675 1HH1 ARG 86 2HH1 ARG 86 -23.209 0.800 0.800 676 2HH1 ARG 86 1HH1 ARG 86 -24.687 1.182 1.182 677 1HH2 ARG 86 1HH2 ARG 86 -24.289 4.610 4.610 678 2HH2 ARG 86 2HH2 ARG 86 -25.298 3.339 3.339 679 H THR 87 H THR 87 -18.995 0.462 0.462 680 HA THR 87 HA THR 87 -16.439 0.837 0.837 681 HB THR 87 HB THR 87 -16.733 -0.782 -0.782 682 HG1 THR 87 HG1 THR 87 -17.978 -2.103 -2.103 683 1HG2 THR 87 3HG2 THR 87 -14.957 -0.874 -0.874 684 2HG2 THR 87 2HG2 THR 87 -14.981 -2.141 -2.141 685 3HG2 THR 87 1HG2 THR 87 -14.480 -0.505 -0.505 686 H GLU 88 H GLU 88 -14.589 1.756 1.756 687 HA GLU 88 HA GLU 88 -14.767 2.852 2.852 688 1HB GLU 88 2HB GLU 88 -15.927 4.418 4.418 689 2HB GLU 88 1HB GLU 88 -14.277 5.031 5.031 690 1HG GLU 88 2HG GLU 88 -14.699 4.868 4.868 691 2HG GLU 88 1HG GLU 88 -16.338 5.207 5.207 692 H THR 89 H THR 89 -12.809 4.849 4.849 693 HA THR 89 HA THR 89 -10.364 3.250 3.250 694 HB THR 89 HB THR 89 -10.780 6.231 6.231 695 HG1 THR 89 HG1 THR 89 -11.186 5.619 5.619 696 1HG2 THR 89 1HG2 THR 89 -8.414 4.833 4.833 697 2HG2 THR 89 3HG2 THR 89 -8.408 5.011 5.011 698 3HG2 THR 89 2HG2 THR 89 -8.542 6.433 6.433 699 H ASN 90 H ASN 90 -9.114 3.122 3.122 700 HA ASN 90 HA ASN 90 -9.871 4.888 4.888 701 1HB ASN 90 2HB ASN 90 -9.726 2.427 2.427 702 2HB ASN 90 1HB ASN 90 -7.999 2.526 2.526 703 1HD2 ASN 90 2HD2 ASN 90 -9.459 3.624 3.624 704 2HD2 ASN 90 1HD2 ASN 90 -10.456 2.963 2.963 705 H TYR 91 H TYR 91 -8.930 6.782 6.782 706 HA TYR 91 HA TYR 91 -5.939 6.890 6.890 707 1HB TYR 91 2HB TYR 91 -6.376 9.364 9.364 708 2HB TYR 91 1HB TYR 91 -6.611 8.132 8.132 709 HD1 TYR 91 HD2 TYR 91 -8.903 7.404 7.404 710 HD2 TYR 91 HD1 TYR 91 -8.226 10.644 10.644 711 HE1 TYR 91 HE2 TYR 91 -11.241 8.154 8.154 712 HE2 TYR 91 HE1 TYR 91 -10.569 11.397 11.397 713 HH TYR 91 HH TYR 91 -12.874 9.921 9.921 714 H ILE 92 H ILE 92 -5.511 6.884 6.884 715 HA ILE 92 HA ILE 92 -7.153 8.738 8.738 716 HB ILE 92 HB ILE 92 -7.504 6.327 6.327 717 1HG1 ILE 92 2HG1 ILE 92 -6.013 7.462 7.462 718 2HG1 ILE 92 1HG1 ILE 92 -7.539 8.158 8.158 719 1HG2 ILE 92 2HG2 ILE 92 -4.526 6.391 6.391 720 2HG2 ILE 92 1HG2 ILE 92 -5.478 5.260 5.260 721 3HG2 ILE 92 3HG2 ILE 92 -5.534 5.188 5.188 722 1HD1 ILE 92 2HD1 ILE 92 -7.133 5.242 5.242 723 2HD1 ILE 92 1HD1 ILE 92 -7.876 6.447 6.447 724 3HD1 ILE 92 3HD1 ILE 92 -8.658 5.996 5.996 725 H CYS 93 H CYS 93 -6.142 9.575 9.575 726 HA CYS 93 HA CYS 93 -3.217 10.163 10.163 727 1HB CYS 93 2HB CYS 93 -4.510 12.212 12.212 728 2HB CYS 93 1HB CYS 93 -5.432 11.795 11.795 729 H VAL 94 H VAL 94 -2.175 8.733 8.733 730 HA VAL 94 HA VAL 94 -3.123 8.358 8.358 731 HB VAL 94 HB VAL 94 -2.449 6.008 6.008 732 1HG1 VAL 94 2HG1 VAL 94 -4.729 6.714 6.714 733 2HG1 VAL 94 1HG1 VAL 94 -4.108 6.801 6.801 734 3HG1 VAL 94 3HG1 VAL 94 -4.158 5.255 5.255 735 1HG2 VAL 94 2HG2 VAL 94 -0.568 6.326 6.326 736 2HG2 VAL 94 1HG2 VAL 94 -1.669 5.058 5.058 737 3HG2 VAL 94 3HG2 VAL 94 -1.732 6.654 6.654 738 H LYS 95 H LYS 95 -1.036 7.023 7.023 739 HA LYS 95 HA LYS 95 1.423 8.414 8.414 740 1HB LYS 95 2HB LYS 95 0.026 8.749 8.749 741 2HB LYS 95 1HB LYS 95 1.782 8.887 8.887 742 1HG LYS 95 2HG LYS 95 1.657 10.950 10.950 743 2HG LYS 95 1HG LYS 95 0.542 10.401 10.401 744 1HD LYS 95 2HD LYS 95 -0.736 11.975 11.975 745 2HD LYS 95 1HD LYS 95 -1.239 10.440 10.440 746 1HE LYS 95 2HE LYS 95 -0.800 11.794 11.794 747 2HE LYS 95 1HE LYS 95 0.670 10.837 10.837 748 1HZ LYS 95 3HZ LYS 95 1.419 12.796 12.796 749 2HZ LYS 95 2HZ LYS 95 0.211 13.668 13.668 750 3HZ LYS 95 1HZ LYS 95 1.487 12.960 12.960 751 H CYS 96 H CYS 96 3.383 7.558 7.558 752 HA CYS 96 HA CYS 96 3.024 4.660 4.660 753 1HB CYS 96 2HB CYS 96 5.541 5.918 5.918 754 2HB CYS 96 1HB CYS 96 5.109 4.210 4.210 755 H GLU 97 H GLU 97 3.700 3.950 3.950 756 HA GLU 97 HA GLU 97 5.809 5.349 5.349 757 1HB GLU 97 2HB GLU 97 3.680 6.112 6.112 758 2HB GLU 97 1HB GLU 97 3.125 4.452 4.452 759 1HG GLU 97 2HG GLU 97 5.089 3.978 3.978 760 2HG GLU 97 1HG GLU 97 5.502 5.692 5.692 761 H ASN 98 H ASN 98 7.185 3.756 3.756 762 HA ASN 98 HA ASN 98 8.110 1.570 1.570 763 1HB ASN 98 2HB ASN 98 5.219 1.306 1.306 764 2HB ASN 98 1HB ASN 98 6.109 -0.188 -0.188 765 1HD2 ASN 98 2HD2 ASN 98 6.509 1.437 1.437 766 2HD2 ASN 98 1HD2 ASN 98 5.176 1.628 1.628 767 H GLN 99 H GLN 99 6.967 2.632 2.632 768 HA GLN 99 HA GLN 99 7.050 1.971 1.971 769 1HB GLN 99 2HB GLN 99 7.795 -0.713 -0.713 770 2HB GLN 99 1HB GLN 99 7.577 -0.471 -0.471 771 1HG GLN 99 2HG GLN 99 9.200 1.655 1.655 772 2HG GLN 99 1HG GLN 99 9.786 0.396 0.396 773 1HE2 GLN 99 2HE2 GLN 99 10.982 -1.700 -1.700 774 2HE2 GLN 99 1HE2 GLN 99 10.428 -1.716 -1.716 775 H TYR 100 H TYR 100 4.785 0.570 0.570 776 HA TYR 100 HA TYR 100 3.090 -0.293 -0.293 777 1HB TYR 100 2HB TYR 100 2.243 -1.905 -1.905 778 2HB TYR 100 1HB TYR 100 3.486 -1.489 -1.489 779 HD1 TYR 100 HD2 TYR 100 0.028 -0.241 -0.241 780 HD2 TYR 100 HD1 TYR 100 2.780 -1.119 -1.119 781 HE1 TYR 100 HE2 TYR 100 -1.707 0.365 0.365 782 HE2 TYR 100 HE1 TYR 100 1.043 -0.520 -0.520 783 HH TYR 100 HH TYR 100 -0.996 0.796 0.796 784 HA PRO 101 HA PRO 101 1.076 3.583 3.583 785 1HB PRO 101 2HB PRO 101 -1.475 2.880 2.880 786 2HB PRO 101 1HB PRO 101 -0.104 3.113 3.113 787 1HG PRO 101 2HG PRO 101 -1.292 0.549 0.549 788 2HG PRO 101 1HG PRO 101 -0.551 0.899 0.899 789 1HD PRO 101 2HD PRO 101 0.753 -0.471 -0.471 790 2HD PRO 101 1HD PRO 101 1.593 0.479 0.479 791 H VAL 102 H VAL 102 0.944 4.222 4.222 792 HA VAL 102 HA VAL 102 -1.211 2.955 2.955 793 HB VAL 102 HB VAL 102 1.170 4.415 4.415 794 1HG1 VAL 102 3HG1 VAL 102 -1.132 2.930 2.930 795 2HG1 VAL 102 2HG1 VAL 102 0.395 2.323 2.323 796 3HG1 VAL 102 1HG1 VAL 102 -0.028 4.021 4.021 797 1HG2 VAL 102 3HG2 VAL 102 1.045 1.722 1.722 798 2HG2 VAL 102 2HG2 VAL 102 2.436 2.766 2.766 799 3HG2 VAL 102 1HG2 VAL 102 1.793 1.790 1.790 800 H HIS 103 H HIS 103 -1.018 5.641 5.641 801 HA HIS 103 HA HIS 103 -2.608 7.127 7.127 802 1HB HIS 103 2HB HIS 103 -1.151 9.130 9.130 803 2HB HIS 103 1HB HIS 103 -1.200 8.857 8.857 804 HD1 HIS 103 HD1 HIS 103 1.246 9.394 9.394 805 HD2 HIS 103 HD2 HIS 103 0.773 6.338 6.338 806 HE1 HIS 103 HE1 HIS 103 3.559 8.483 8.483 807 H PHE 104 H PHE 104 -4.401 8.066 8.066 808 HA PHE 104 HA PHE 104 -4.524 8.068 8.068 809 1HB PHE 104 2HB PHE 104 -6.389 6.938 6.938 810 2HB PHE 104 1HB PHE 104 -7.172 7.981 7.981 811 HD1 PHE 104 HD1 PHE 104 -4.084 6.055 6.055 812 HD2 PHE 104 HD2 PHE 104 -8.351 6.224 6.224 813 HE1 PHE 104 HE1 PHE 104 -3.955 4.277 4.277 814 HE2 PHE 104 HE2 PHE 104 -8.237 4.417 4.417 815 HZ PHE 104 HZ PHE 104 -6.059 3.442 3.442 816 H ALA 105 H ALA 105 -4.951 10.026 10.026 817 HA ALA 105 HA ALA 105 -5.813 12.234 12.234 818 1HB ALA 105 2HB ALA 105 -3.980 12.244 12.244 819 2HB ALA 105 1HB ALA 105 -4.623 13.724 13.724 820 3HB ALA 105 3HB ALA 105 -3.592 12.659 12.659 821 H GLY 106 H GLY 106 -6.525 10.704 10.704 822 1HA GLY 106 2HA GLY 106 -9.119 11.927 11.927 823 2HA GLY 106 1HA GLY 106 -8.021 12.790 12.790 824 H ILE 107 H ILE 107 -9.836 11.863 11.863 825 HA ILE 107 HA ILE 107 -9.332 9.061 9.061 826 HB ILE 107 HB ILE 107 -11.659 9.777 9.777 827 1HG1 ILE 107 2HG1 ILE 107 -11.453 9.486 9.486 828 2HG1 ILE 107 1HG1 ILE 107 -10.923 8.165 8.165 829 1HG2 ILE 107 2HG2 ILE 107 -10.862 11.937 11.937 830 2HG2 ILE 107 1HG2 ILE 107 -12.524 11.355 11.355 831 3HG2 ILE 107 3HG2 ILE 107 -11.877 12.022 12.022 832 1HD1 ILE 107 1HD1 ILE 107 -13.190 8.399 8.399 833 2HD1 ILE 107 3HD1 ILE 107 -13.670 9.410 9.410 834 3HD1 ILE 107 2HD1 ILE 107 -13.220 7.725 7.725 835 H GLY 108 H GLY 108 -7.375 11.218 11.218 836 1HA GLY 108 2HA GLY 108 -6.091 10.759 10.759 837 2HA GLY 108 1HA GLY 108 -7.560 11.341 11.341 838 H ARG 109 H ARG 109 -8.286 13.595 13.595 839 HA ARG 109 HA ARG 109 -6.190 15.485 15.485 840 1HB ARG 109 2HB ARG 109 -7.856 17.200 17.200 841 2HB ARG 109 1HB ARG 109 -8.521 16.069 16.069 842 1HG ARG 109 2HG ARG 109 -9.614 14.799 14.799 843 2HG ARG 109 1HG ARG 109 -8.861 15.809 15.809 844 1HD ARG 109 2HD ARG 109 -10.027 17.766 17.766 845 2HD ARG 109 1HD ARG 109 -11.095 16.469 16.469 846 HE ARG 109 HE ARG 109 -10.626 16.956 16.956 847 1HH1 ARG 109 2HH1 ARG 109 -12.386 14.735 14.735 848 2HH1 ARG 109 1HH1 ARG 109 -13.964 15.445 15.445 849 1HH2 ARG 109 1HH2 ARG 109 -12.773 18.666 18.666 850 2HH2 ARG 109 2HH2 ARG 109 -14.182 17.672 17.672 851 H CYS 110 H CYS 110 -4.826 16.551 16.551 852 HA CYS 110 HA CYS 110 -5.298 16.449 16.449 853 1HB CYS 110 2HB CYS 110 -3.363 14.829 14.829 854 2HB CYS 110 1HB CYS 110 -2.570 15.872 15.872 855 HA PRO 111 HA PRO 111 -3.360 20.392 20.392 856 1HB PRO 111 2HB PRO 111 -5.517 22.051 22.051 857 2HB PRO 111 1HB PRO 111 -5.206 21.157 21.157 858 1HG PRO 111 2HG PRO 111 -7.242 20.633 20.633 859 2HG PRO 111 1HG PRO 111 -7.279 20.215 20.215 860 1HD PRO 111 1HD PRO 111 -6.682 18.446 18.446 861 2HD PRO 111 2HD PRO 111 -6.420 18.138 18.138 Start of MODEL 10 1 HN PCA 1 HN PCA 1 -2.717 3.242 3.242 2 HA PCA 1 HA PCA 1 -2.129 3.850 3.850 3 1HB PCA 1 1HB PCA 1 -3.929 3.992 3.992 4 2HB PCA 1 2HB PCA 1 -4.159 2.235 2.235 5 1HG PCA 1 1HG PCA 1 -5.703 4.328 4.328 6 2HG PCA 1 2HG PCA 1 -5.933 2.574 2.574 7 H ASN 2 H ASN 2 -3.435 0.924 0.924 8 HA ASN 2 HA ASN 2 -1.051 -0.595 -0.595 9 1HB ASN 2 2HB ASN 2 -2.523 -0.998 -0.998 10 2HB ASN 2 1HB ASN 2 -3.872 -1.359 -1.359 11 1HD2 ASN 2 2HD2 ASN 2 -3.043 -4.783 -4.783 12 2HD2 ASN 2 1HD2 ASN 2 -4.249 -3.590 -3.590 13 H TRP 3 H TRP 3 -0.852 -2.594 -2.594 14 HA TRP 3 HA TRP 3 -1.631 -2.263 -2.263 15 1HB TRP 3 2HB TRP 3 0.271 -3.757 -3.757 16 2HB TRP 3 1HB TRP 3 -0.787 -4.976 -4.976 17 HD1 TRP 3 HD1 TRP 3 2.244 -3.332 -3.332 18 HE1 TRP 3 HE1 TRP 3 2.829 -3.290 -3.290 19 HE3 TRP 3 HE3 TRP 3 -2.360 -4.302 -4.302 20 HZ2 TRP 3 HZ2 TRP 3 1.552 -3.636 -3.636 21 HZ3 TRP 3 HZ3 TRP 3 -2.628 -4.456 -4.456 22 HH2 TRP 3 HH2 TRP 3 -0.677 -4.125 -4.125 23 H ALA 4 H ALA 4 -2.821 -4.481 -4.481 24 HA ALA 4 HA ALA 4 -4.582 -6.020 -6.020 25 1HB ALA 4 3HB ALA 4 -3.866 -6.790 -6.790 26 2HB ALA 4 2HB ALA 4 -4.763 -5.471 -5.471 27 3HB ALA 4 1HB ALA 4 -5.626 -6.746 -6.746 28 H THR 5 H THR 5 -5.398 -3.413 -3.413 29 HA THR 5 HA THR 5 -8.140 -3.159 -3.159 30 HB THR 5 HB THR 5 -6.671 -0.731 -0.731 31 HG1 THR 5 HG1 THR 5 -7.028 -3.117 -3.117 32 1HG2 THR 5 2HG2 THR 5 -9.330 -1.551 -1.551 33 2HG2 THR 5 1HG2 THR 5 -8.959 -1.712 -1.712 34 3HG2 THR 5 3HG2 THR 5 -8.733 -0.162 -0.162 35 H PHE 6 H PHE 6 -5.130 -1.844 -1.844 36 HA PHE 6 HA PHE 6 -6.356 0.059 0.059 37 1HB PHE 6 2HB PHE 6 -4.057 0.408 0.408 38 2HB PHE 6 1HB PHE 6 -3.628 -1.164 -1.164 39 HD1 PHE 6 HD2 PHE 6 -3.563 -1.541 -1.541 40 HD2 PHE 6 HD1 PHE 6 -4.586 2.342 2.342 41 HE1 PHE 6 HE2 PHE 6 -3.278 -0.563 -0.563 42 HE2 PHE 6 HE1 PHE 6 -4.302 3.319 3.319 43 HZ PHE 6 HZ PHE 6 -3.648 1.854 1.854 44 H GLN 7 H GLN 7 -5.682 -3.350 -3.350 45 HA GLN 7 HA GLN 7 -5.664 -3.859 -3.859 46 1HB GLN 7 2HB GLN 7 -5.386 -5.572 -5.572 47 2HB GLN 7 1HB GLN 7 -7.149 -5.626 -5.626 48 1HG GLN 7 2HG GLN 7 -5.933 -5.879 -5.879 49 2HG GLN 7 1HG GLN 7 -5.635 -7.227 -7.227 50 1HE2 GLN 7 2HE2 GLN 7 -8.910 -8.481 -8.481 51 2HE2 GLN 7 1HE2 GLN 7 -7.323 -8.718 -8.718 52 H GLN 8 H GLN 8 -8.278 -3.226 -3.226 53 HA GLN 8 HA GLN 8 -10.387 -3.523 -3.523 54 1HB GLN 8 2HB GLN 8 -10.232 -2.961 -2.961 55 2HB GLN 8 1HB GLN 8 -11.348 -1.858 -1.858 56 1HG GLN 8 2HG GLN 8 -12.312 -3.962 -3.962 57 2HG GLN 8 1HG GLN 8 -11.440 -4.871 -4.871 58 1HE2 GLN 8 2HE2 GLN 8 -13.490 -3.592 -3.592 59 2HE2 GLN 8 1HE2 GLN 8 -11.898 -4.066 -4.066 60 H LYS 9 H LYS 9 -8.521 -0.918 -0.918 61 HA LYS 9 HA LYS 9 -9.683 1.389 1.389 62 1HB LYS 9 2HB LYS 9 -7.658 1.314 1.314 63 2HB LYS 9 1HB LYS 9 -6.680 0.920 0.920 64 1HG LYS 9 2HG LYS 9 -6.446 3.226 3.226 65 2HG LYS 9 1HG LYS 9 -7.818 3.078 3.078 66 1HD LYS 9 2HD LYS 9 -9.324 3.241 3.241 67 2HD LYS 9 1HD LYS 9 -7.888 3.713 3.713 68 1HE LYS 9 2HE LYS 9 -7.895 5.800 5.800 69 2HE LYS 9 1HE LYS 9 -8.194 5.208 5.208 70 1HZ LYS 9 2HZ LYS 9 -10.546 4.763 4.763 71 2HZ LYS 9 1HZ LYS 9 -10.141 5.821 5.821 72 3HZ LYS 9 3HZ LYS 9 -10.109 6.370 6.370 73 H HIS 10 H HIS 10 -7.105 -0.246 -0.246 74 HA HIS 10 HA HIS 10 -8.199 1.200 1.200 75 1HB HIS 10 2HB HIS 10 -5.569 -0.202 -0.202 76 2HB HIS 10 1HB HIS 10 -6.114 0.230 0.230 77 HD1 HIS 10 HD1 HIS 10 -6.637 2.329 2.329 78 HD2 HIS 10 HD2 HIS 10 -4.407 2.390 2.390 79 HE1 HIS 10 HE1 HIS 10 -5.460 4.569 4.569 80 H ILE 11 H ILE 11 -8.498 -1.896 -1.896 81 HA ILE 11 HA ILE 11 -9.297 -2.945 -2.945 82 HB ILE 11 HB ILE 11 -7.847 -4.609 -4.609 83 1HG1 ILE 11 2HG1 ILE 11 -6.391 -2.781 -2.781 84 2HG1 ILE 11 1HG1 ILE 11 -5.850 -4.368 -4.368 85 1HG2 ILE 11 2HG2 ILE 11 -9.168 -5.134 -5.134 86 2HG2 ILE 11 1HG2 ILE 11 -7.507 -5.723 -5.723 87 3HG2 ILE 11 3HG2 ILE 11 -8.668 -6.258 -6.258 88 1HD1 ILE 11 3HD1 ILE 11 -7.754 -3.328 -3.328 89 2HD1 ILE 11 2HD1 ILE 11 -6.497 -2.124 -2.124 90 3HD1 ILE 11 1HD1 ILE 11 -6.058 -3.742 -3.742 91 H ILE 12 H ILE 12 -11.476 -2.384 -2.384 92 HA ILE 12 HA ILE 12 -12.652 -4.279 -4.279 93 HB ILE 12 HB ILE 12 -14.008 -2.051 -2.051 94 1HG1 ILE 12 2HG1 ILE 12 -13.955 -1.081 -1.081 95 2HG1 ILE 12 1HG1 ILE 12 -12.487 -2.053 -2.053 96 1HG2 ILE 12 2HG2 ILE 12 -14.837 -3.911 -3.911 97 2HG2 ILE 12 1HG2 ILE 12 -15.591 -2.323 -2.323 98 3HG2 ILE 12 3HG2 ILE 12 -15.706 -3.470 -3.470 99 1HD1 ILE 12 2HD1 ILE 12 -12.970 -0.198 -0.198 100 2HD1 ILE 12 1HD1 ILE 12 -12.304 0.419 0.419 101 3HD1 ILE 12 3HD1 ILE 12 -11.440 -0.827 -0.827 102 H ASN 13 H ASN 13 -11.786 -5.834 -5.834 103 HA ASN 13 HA ASN 13 -13.033 -5.991 -5.991 104 1HB ASN 13 2HB ASN 13 -10.895 -7.215 -7.215 105 2HB ASN 13 1HB ASN 13 -12.054 -8.479 -8.479 106 1HD2 ASN 13 2HD2 ASN 13 -10.802 -8.351 -8.351 107 2HD2 ASN 13 1HD2 ASN 13 -9.960 -7.727 -7.727 108 H THR 14 H THR 14 -15.254 -5.693 -5.693 109 HA THR 14 HA THR 14 -16.775 -8.169 -8.169 110 HB THR 14 HB THR 14 -18.233 -7.028 -7.028 111 HG1 THR 14 HG1 THR 14 -15.794 -5.668 -5.668 112 1HG2 THR 14 2HG2 THR 14 -16.465 -8.956 -8.956 113 2HG2 THR 14 1HG2 THR 14 -15.504 -7.732 -7.732 114 3HG2 THR 14 3HG2 THR 14 -17.085 -8.189 -8.189 115 HA PRO 15 HA PRO 15 -18.411 -4.763 -4.763 116 1HB PRO 15 2HB PRO 15 -18.231 -6.127 -6.127 117 2HB PRO 15 1HB PRO 15 -16.930 -5.127 -5.127 118 1HG PRO 15 2HG PRO 15 -17.132 -8.091 -8.091 119 2HG PRO 15 1HG PRO 15 -15.692 -7.066 -7.066 120 1HD PRO 15 2HD PRO 15 -16.874 -8.518 -8.518 121 2HD PRO 15 1HD PRO 15 -15.588 -7.295 -7.295 122 H ILE 16 H ILE 16 -19.893 -6.983 -6.983 123 HA ILE 16 HA ILE 16 -21.800 -8.210 -8.210 124 HB ILE 16 HB ILE 16 -23.156 -8.462 -8.462 125 1HG1 ILE 16 2HG1 ILE 16 -20.808 -7.262 -7.262 126 2HG1 ILE 16 1HG1 ILE 16 -22.109 -6.218 -6.218 127 1HG2 ILE 16 3HG2 ILE 16 -20.213 -9.181 -9.181 128 2HG2 ILE 16 2HG2 ILE 16 -21.386 -9.820 -9.820 129 3HG2 ILE 16 1HG2 ILE 16 -21.549 -10.184 -10.184 130 1HD1 ILE 16 3HD1 ILE 16 -23.708 -7.862 -7.862 131 2HD1 ILE 16 2HD1 ILE 16 -22.272 -8.505 -8.505 132 3HD1 ILE 16 1HD1 ILE 16 -22.736 -6.822 -6.822 133 H ILE 17 H ILE 17 -24.317 -7.487 -7.487 134 HA ILE 17 HA ILE 17 -24.553 -4.703 -4.703 135 HB ILE 17 HB ILE 17 -26.984 -5.340 -5.340 136 1HG1 ILE 17 2HG1 ILE 17 -25.973 -8.132 -8.132 137 2HG1 ILE 17 1HG1 ILE 17 -26.959 -7.171 -7.171 138 1HG2 ILE 17 2HG2 ILE 17 -24.636 -6.229 -6.229 139 2HG2 ILE 17 1HG2 ILE 17 -25.942 -7.397 -7.397 140 3HG2 ILE 17 3HG2 ILE 17 -26.197 -5.707 -5.707 141 1HD1 ILE 17 2HD1 ILE 17 -28.650 -6.967 -6.967 142 2HD1 ILE 17 1HD1 ILE 17 -27.712 -8.193 -8.193 143 3HD1 ILE 17 3HD1 ILE 17 -28.478 -8.582 -8.582 144 H ASN 18 H ASN 18 -23.751 -5.228 -5.228 145 HA ASN 18 HA ASN 18 -25.865 -3.669 -3.669 146 1HB ASN 18 2HB ASN 18 -24.595 -6.133 -6.133 147 2HB ASN 18 1HB ASN 18 -25.884 -5.134 -5.134 148 1HD2 ASN 18 2HD2 ASN 18 -28.316 -6.393 -6.393 149 2HD2 ASN 18 1HD2 ASN 18 -27.807 -4.905 -4.905 150 H CYS 19 H CYS 19 -24.536 -1.866 -1.866 151 HA CYS 19 HA CYS 19 -21.705 -2.071 -2.071 152 1HB CYS 19 2HB CYS 19 -23.417 0.444 0.444 153 2HB CYS 19 1HB CYS 19 -21.660 0.359 0.359 154 H ASN 20 H ASN 20 -24.633 -1.848 -1.848 155 HA ASN 20 HA ASN 20 -23.301 -0.628 -0.628 156 1HB ASN 20 2HB ASN 20 -25.460 -1.291 -1.291 157 2HB ASN 20 1HB ASN 20 -25.641 -0.169 -0.169 158 1HD2 ASN 20 2HD2 ASN 20 -27.547 -2.416 -2.416 159 2HD2 ASN 20 1HD2 ASN 20 -26.774 -0.906 -0.906 160 H THR 21 H THR 21 -24.528 -3.864 -3.864 161 HA THR 21 HA THR 21 -23.741 -5.202 -5.202 162 HB THR 21 HB THR 21 -23.506 -7.203 -7.203 163 HG1 THR 21 HG1 THR 21 -23.638 -6.125 -6.125 164 1HG2 THR 21 1HG2 THR 21 -25.680 -5.977 -5.977 165 2HG2 THR 21 3HG2 THR 21 -26.270 -6.713 -6.713 166 3HG2 THR 21 2HG2 THR 21 -25.374 -7.683 -7.683 167 H ILE 22 H ILE 22 -21.892 -4.313 -4.313 168 HA ILE 22 HA ILE 22 -19.562 -5.902 -5.902 169 HB ILE 22 HB ILE 22 -18.437 -4.770 -4.770 170 1HG1 ILE 22 2HG1 ILE 22 -21.063 -3.300 -3.300 171 2HG1 ILE 22 1HG1 ILE 22 -19.619 -2.562 -2.562 172 1HG2 ILE 22 2HG2 ILE 22 -20.005 -6.747 -6.747 173 2HG2 ILE 22 1HG2 ILE 22 -21.241 -5.589 -5.589 174 3HG2 ILE 22 3HG2 ILE 22 -19.766 -5.755 -5.755 175 1HD1 ILE 22 1HD1 ILE 22 -18.536 -3.628 -3.628 176 2HD1 ILE 22 3HD1 ILE 22 -20.176 -3.341 -3.341 177 3HD1 ILE 22 2HD1 ILE 22 -19.216 -2.002 -2.002 178 H MET 23 H MET 23 -20.594 -2.525 -2.525 179 HA MET 23 HA MET 23 -18.015 -1.883 -1.883 180 1HB MET 23 2HB MET 23 -18.641 0.451 0.451 181 2HB MET 23 1HB MET 23 -18.882 -0.333 -0.333 182 1HG MET 23 2HG MET 23 -20.971 0.521 0.521 183 2HG MET 23 1HG MET 23 -21.331 -0.672 -0.672 184 1HE MET 23 3HE MET 23 -20.712 2.535 2.535 185 2HE MET 23 2HE MET 23 -22.201 3.028 3.028 186 3HE MET 23 1HE MET 23 -20.664 3.729 3.729 187 H ASP 24 H ASP 24 -20.443 -3.475 -3.475 188 HA ASP 24 HA ASP 24 -21.546 -1.890 -1.890 189 1HB ASP 24 2HB ASP 24 -21.430 -4.813 -4.813 190 2HB ASP 24 1HB ASP 24 -21.903 -4.361 -4.361 191 H ASN 25 H ASN 25 -19.726 -0.883 -0.883 192 HA ASN 25 HA ASN 25 -18.372 -2.420 -2.420 193 1HB ASN 25 2HB ASN 25 -17.008 -2.959 -2.959 194 2HB ASN 25 1HB ASN 25 -16.692 -1.249 -1.249 195 1HD2 ASN 25 2HD2 ASN 25 -15.145 -2.923 -2.923 196 2HD2 ASN 25 1HD2 ASN 25 -16.717 -3.340 -3.340 197 H ASN 26 H ASN 26 -17.071 -0.986 -0.986 198 HA ASN 26 HA ASN 26 -18.232 1.681 1.681 199 1HB ASN 26 2HB ASN 26 -15.908 0.347 0.347 200 2HB ASN 26 1HB ASN 26 -16.580 1.916 1.916 201 1HD2 ASN 26 2HD2 ASN 26 -19.355 0.535 0.535 202 2HD2 ASN 26 1HD2 ASN 26 -18.513 1.938 1.938 203 H ILE 27 H ILE 27 -15.673 0.440 0.440 204 HA ILE 27 HA ILE 27 -14.079 2.916 2.916 205 HB ILE 27 HB ILE 27 -13.830 0.459 0.459 206 1HG1 ILE 27 2HG1 ILE 27 -12.255 1.133 1.133 207 2HG1 ILE 27 1HG1 ILE 27 -13.674 0.082 0.082 208 1HG2 ILE 27 3HG2 ILE 27 -12.338 2.995 2.995 209 2HG2 ILE 27 2HG2 ILE 27 -11.334 1.544 1.544 210 3HG2 ILE 27 1HG2 ILE 27 -12.399 1.870 1.870 211 1HD1 ILE 27 1HD1 ILE 27 -12.541 -1.311 -1.311 212 2HD1 ILE 27 3HD1 ILE 27 -11.087 -0.355 -0.355 213 3HD1 ILE 27 2HD1 ILE 27 -11.753 -1.349 -1.349 214 H TYR 28 H TYR 28 -17.019 2.398 2.398 215 HA TYR 28 HA TYR 28 -16.549 4.196 4.196 216 1HB TYR 28 2HB TYR 28 -17.957 1.515 1.515 217 2HB TYR 28 1HB TYR 28 -18.051 2.756 2.756 218 HD1 TYR 28 HD2 TYR 28 -15.647 3.779 3.779 219 HD2 TYR 28 HD1 TYR 28 -16.350 -0.146 -0.146 220 HE1 TYR 28 HE2 TYR 28 -13.508 3.004 3.004 221 HE2 TYR 28 HE1 TYR 28 -14.198 -0.916 -0.916 222 HH TYR 28 HH TYR 28 -11.806 1.044 1.044 223 H ILE 29 H ILE 29 -17.675 5.413 5.413 224 HA ILE 29 HA ILE 29 -20.555 5.637 5.637 225 HB ILE 29 HB ILE 29 -19.780 5.130 5.130 226 1HG1 ILE 29 2HG1 ILE 29 -21.010 3.185 3.185 227 2HG1 ILE 29 1HG1 ILE 29 -19.375 3.078 3.078 228 1HG2 ILE 29 3HG2 ILE 29 -22.226 5.874 5.874 229 2HG2 ILE 29 2HG2 ILE 29 -22.454 4.547 4.547 230 3HG2 ILE 29 1HG2 ILE 29 -21.835 6.097 6.097 231 1HD1 ILE 29 3HD1 ILE 29 -20.410 3.022 3.022 232 2HD1 ILE 29 2HD1 ILE 29 -21.970 2.807 2.807 233 3HD1 ILE 29 1HD1 ILE 29 -20.704 1.596 1.596 234 H VAL 30 H VAL 30 -21.486 7.544 7.544 235 HA VAL 30 HA VAL 30 -19.620 9.694 9.694 236 HB VAL 30 HB VAL 30 -22.264 9.913 9.913 237 1HG1 VAL 30 3HG1 VAL 30 -20.237 11.938 11.938 238 2HG1 VAL 30 2HG1 VAL 30 -21.330 12.284 12.284 239 3HG1 VAL 30 1HG1 VAL 30 -21.983 11.930 11.930 240 1HG2 VAL 30 1HG2 VAL 30 -19.378 9.862 9.862 241 2HG2 VAL 30 3HG2 VAL 30 -20.770 9.081 9.081 242 3HG2 VAL 30 2HG2 VAL 30 -20.536 10.821 10.821 243 H GLY 31 H GLY 31 -20.869 11.383 11.383 244 1HA GLY 31 2HA GLY 31 -22.375 9.879 9.879 245 2HA GLY 31 1HA GLY 31 -21.737 11.514 11.514 246 H GLY 32 H GLY 32 -23.936 9.947 9.947 247 1HA GLY 32 2HA GLY 32 -26.246 11.487 11.487 248 2HA GLY 32 1HA GLY 32 -25.569 12.075 12.075 249 H GLN 33 H GLN 33 -24.850 9.923 9.923 250 HA GLN 33 HA GLN 33 -26.750 7.705 7.705 251 1HB GLN 33 2HB GLN 33 -27.429 10.130 10.130 252 2HB GLN 33 1HB GLN 33 -27.393 8.697 8.697 253 1HG GLN 33 2HG GLN 33 -29.060 7.607 7.607 254 2HG GLN 33 1HG GLN 33 -28.832 8.664 8.664 255 1HE2 GLN 33 2HE2 GLN 33 -30.556 10.634 10.634 256 2HE2 GLN 33 1HE2 GLN 33 -29.097 9.797 9.797 257 H CYS 34 H CYS 34 -25.410 9.410 9.410 258 HA CYS 34 HA CYS 34 -23.225 7.430 7.430 259 1HB CYS 34 2HB CYS 34 -25.268 7.999 7.999 260 2HB CYS 34 1HB CYS 34 -23.878 6.925 6.925 261 H LYS 35 H LYS 35 -22.267 8.173 8.173 262 HA LYS 35 HA LYS 35 -21.794 11.113 11.113 263 1HB LYS 35 2HB LYS 35 -19.940 9.010 9.010 264 2HB LYS 35 1HB LYS 35 -19.822 9.702 9.702 265 1HG LYS 35 2HG LYS 35 -19.950 11.959 11.959 266 2HG LYS 35 1HG LYS 35 -19.033 10.850 10.850 267 1HD LYS 35 2HD LYS 35 -17.207 11.346 11.346 268 2HD LYS 35 1HD LYS 35 -17.959 10.518 10.518 269 1HE LYS 35 2HE LYS 35 -18.350 12.466 12.466 270 2HE LYS 35 1HE LYS 35 -19.023 13.220 13.220 271 1HZ LYS 35 3HZ LYS 35 -16.623 13.370 13.370 272 2HZ LYS 35 2HZ LYS 35 -16.195 13.046 13.046 273 3HZ LYS 35 1HZ LYS 35 -17.105 14.429 14.429 274 H ARG 36 H ARG 36 -20.760 11.802 11.802 275 HA ARG 36 HA ARG 36 -23.064 11.512 11.512 276 1HB ARG 36 2HB ARG 36 -21.834 13.702 13.702 277 2HB ARG 36 1HB ARG 36 -20.502 13.045 13.045 278 1HG ARG 36 2HG ARG 36 -22.485 12.521 12.521 279 2HG ARG 36 1HG ARG 36 -23.226 13.889 13.889 280 1HD ARG 36 2HD ARG 36 -20.706 14.851 14.851 281 2HD ARG 36 1HD ARG 36 -20.891 13.823 13.823 282 HE ARG 36 HE ARG 36 -22.705 15.227 15.227 283 1HH1 ARG 36 2HH1 ARG 36 -24.060 15.912 15.912 284 2HH1 ARG 36 1HH1 ARG 36 -23.604 17.562 17.562 285 1HH2 ARG 36 1HH2 ARG 36 -20.941 17.463 17.463 286 2HH2 ARG 36 2HH2 ARG 36 -21.841 18.442 18.442 287 H VAL 37 H VAL 37 -19.797 10.243 10.243 288 HA VAL 37 HA VAL 37 -20.320 8.505 8.505 289 HB VAL 37 HB VAL 37 -17.751 10.098 10.098 290 1HG1 VAL 37 2HG1 VAL 37 -18.121 7.819 7.819 291 2HG1 VAL 37 1HG1 VAL 37 -18.959 8.838 8.838 292 3HG1 VAL 37 3HG1 VAL 37 -17.263 9.139 9.139 293 1HG2 VAL 37 3HG2 VAL 37 -20.298 10.686 10.686 294 2HG2 VAL 37 2HG2 VAL 37 -19.488 11.737 11.737 295 3HG2 VAL 37 1HG2 VAL 37 -18.737 11.395 11.395 296 H ASN 38 H ASN 38 -20.051 6.573 6.573 297 HA ASN 38 HA ASN 38 -17.768 6.164 6.164 298 1HB ASN 38 2HB ASN 38 -19.873 4.112 4.112 299 2HB ASN 38 1HB ASN 38 -18.756 4.019 4.019 300 1HD2 ASN 38 2HD2 ASN 38 -20.768 7.003 7.003 301 2HD2 ASN 38 1HD2 ASN 38 -19.250 6.994 6.994 302 H THR 39 H THR 39 -16.153 6.408 6.408 303 HA THR 39 HA THR 39 -16.152 4.782 4.782 304 HB THR 39 HB THR 39 -13.835 6.356 6.356 305 HG1 THR 39 HG1 THR 39 -14.989 8.053 8.053 306 1HG2 THR 39 3HG2 THR 39 -13.367 4.883 4.883 307 2HG2 THR 39 2HG2 THR 39 -14.666 5.662 5.662 308 3HG2 THR 39 1HG2 THR 39 -13.237 6.586 6.586 309 H PHE 40 H PHE 40 -15.704 2.692 2.692 310 HA PHE 40 HA PHE 40 -13.704 1.608 1.608 311 1HB PHE 40 2HB PHE 40 -15.694 0.194 0.194 312 2HB PHE 40 1HB PHE 40 -14.684 -0.579 -0.579 313 HD1 PHE 40 HD2 PHE 40 -14.815 0.995 0.995 314 HD2 PHE 40 HD1 PHE 40 -17.917 0.286 0.286 315 HE1 PHE 40 HE2 PHE 40 -16.536 1.465 1.465 316 HE2 PHE 40 HE1 PHE 40 -19.633 0.762 0.762 317 HZ PHE 40 HZ PHE 40 -18.942 1.351 1.351 318 H ILE 41 H ILE 41 -12.014 0.115 0.115 319 HA ILE 41 HA ILE 41 -11.529 0.712 0.712 320 HB ILE 41 HB ILE 41 -9.495 0.625 0.625 321 1HG1 ILE 41 2HG1 ILE 41 -9.218 3.052 3.052 322 2HG1 ILE 41 1HG1 ILE 41 -10.897 2.786 2.786 323 1HG2 ILE 41 1HG2 ILE 41 -9.164 1.102 1.102 324 2HG2 ILE 41 3HG2 ILE 41 -7.895 1.326 1.326 325 3HG2 ILE 41 2HG2 ILE 41 -8.551 -0.283 -0.283 326 1HD1 ILE 41 2HD1 ILE 41 -10.841 1.931 1.931 327 2HD1 ILE 41 1HD1 ILE 41 -9.763 3.328 3.328 328 3HD1 ILE 41 3HD1 ILE 41 -11.425 3.500 3.500 329 H ILE 42 H ILE 42 -11.245 -1.063 -1.063 330 HA ILE 42 HA ILE 42 -10.769 -3.680 -3.680 331 HB ILE 42 HB ILE 42 -12.945 -3.560 -3.560 332 1HG1 ILE 42 2HG1 ILE 42 -11.365 -5.244 -5.244 333 2HG1 ILE 42 1HG1 ILE 42 -11.231 -5.614 -5.614 334 1HG2 ILE 42 2HG2 ILE 42 -11.328 -2.951 -2.951 335 2HG2 ILE 42 1HG2 ILE 42 -13.056 -3.274 -3.274 336 3HG2 ILE 42 3HG2 ILE 42 -12.415 -1.839 -1.839 337 1HD1 ILE 42 3HD1 ILE 42 -13.957 -5.254 -5.254 338 2HD1 ILE 42 2HD1 ILE 42 -13.481 -6.045 -6.045 339 3HD1 ILE 42 1HD1 ILE 42 -13.133 -6.813 -6.813 340 H SER 43 H SER 43 -8.958 -4.734 -4.734 341 HA SER 43 HA SER 43 -7.577 -5.128 -5.128 342 1HB SER 43 2HB SER 43 -7.170 -2.762 -2.762 343 2HB SER 43 1HB SER 43 -6.680 -2.565 -2.565 344 HG SER 43 HG SER 43 -5.326 -3.761 -3.761 345 H SER 44 H SER 44 -5.413 -6.115 -6.115 346 HA SER 44 HA SER 44 -5.289 -7.590 -7.590 347 1HB SER 44 2HB SER 44 -2.856 -8.034 -8.034 348 2HB SER 44 1HB SER 44 -4.150 -8.565 -8.565 349 HG SER 44 HG SER 44 -3.319 -7.304 -7.304 350 H ALA 45 H ALA 45 -4.708 -6.925 -6.925 351 HA ALA 45 HA ALA 45 -4.027 -4.333 -4.333 352 1HB ALA 45 3HB ALA 45 -4.767 -6.281 -6.281 353 2HB ALA 45 2HB ALA 45 -3.072 -6.772 -6.772 354 3HB ALA 45 1HB ALA 45 -3.550 -5.207 -5.207 355 H THR 46 H THR 46 -1.822 -6.862 -6.862 356 HA THR 46 HA THR 46 0.557 -5.462 -5.462 357 HB THR 46 HB THR 46 0.587 -7.864 -7.864 358 HG1 THR 46 HG1 THR 46 2.512 -6.639 -6.639 359 1HG2 THR 46 2HG2 THR 46 -0.350 -7.348 -7.348 360 2HG2 THR 46 1HG2 THR 46 0.812 -8.659 -8.659 361 3HG2 THR 46 3HG2 THR 46 -0.706 -8.701 -8.701 362 H THR 47 H THR 47 -1.191 -5.560 -5.560 363 HA THR 47 HA THR 47 0.895 -4.357 -4.357 364 HB THR 47 HB THR 47 -1.137 -3.521 -3.521 365 HG1 THR 47 HG1 THR 47 -3.067 -4.422 -4.422 366 1HG2 THR 47 3HG2 THR 47 0.280 -5.544 -5.544 367 2HG2 THR 47 2HG2 THR 47 -0.873 -6.502 -6.502 368 3HG2 THR 47 1HG2 THR 47 -1.389 -5.694 -5.694 369 H VAL 48 H VAL 48 -1.648 -3.143 -3.143 370 HA VAL 48 HA VAL 48 -1.259 -0.334 -0.334 371 HB VAL 48 HB VAL 48 -2.319 -1.586 -1.586 372 1HG1 VAL 48 1HG1 VAL 48 -2.522 1.139 1.139 373 2HG1 VAL 48 3HG1 VAL 48 -3.671 0.600 0.600 374 3HG1 VAL 48 2HG1 VAL 48 -1.957 0.740 0.740 375 1HG2 VAL 48 1HG2 VAL 48 -3.476 -1.330 -1.330 376 2HG2 VAL 48 3HG2 VAL 48 -3.851 -2.488 -2.488 377 3HG2 VAL 48 2HG2 VAL 48 -4.530 -0.864 -0.864 378 H LYS 49 H LYS 49 0.155 -2.695 -2.695 379 HA LYS 49 HA LYS 49 1.651 -0.892 -0.892 380 1HB LYS 49 2HB LYS 49 1.161 -3.297 -3.297 381 2HB LYS 49 1HB LYS 49 2.322 -3.768 -3.768 382 1HG LYS 49 2HG LYS 49 3.935 -2.149 -2.149 383 2HG LYS 49 1HG LYS 49 2.812 -2.430 -2.430 384 1HD LYS 49 2HD LYS 49 3.293 -4.714 -4.714 385 2HD LYS 49 1HD LYS 49 3.871 -4.763 -4.763 386 1HE LYS 49 2HE LYS 49 5.321 -3.124 -3.124 387 2HE LYS 49 1HE LYS 49 5.631 -4.854 -4.854 388 1HZ LYS 49 1HZ LYS 49 6.089 -4.487 -4.487 389 2HZ LYS 49 3HZ LYS 49 5.902 -2.816 -2.816 390 3HZ LYS 49 2HZ LYS 49 7.166 -3.643 -3.643 391 H ALA 50 H ALA 50 2.121 -2.066 -2.066 392 HA ALA 50 HA ALA 50 4.996 -1.541 -1.541 393 1HB ALA 50 3HB ALA 50 3.012 -2.731 -2.731 394 2HB ALA 50 2HB ALA 50 4.133 -1.669 -1.669 395 3HB ALA 50 1HB ALA 50 4.748 -3.013 -3.013 396 H ILE 51 H ILE 51 2.032 0.130 0.130 397 HA ILE 51 HA ILE 51 3.427 2.298 2.298 398 HB ILE 51 HB ILE 51 1.222 3.497 3.497 399 1HG1 ILE 51 2HG1 ILE 51 0.228 0.891 0.891 400 2HG1 ILE 51 1HG1 ILE 51 0.682 2.255 2.255 401 1HG2 ILE 51 1HG2 ILE 51 1.945 1.655 1.655 402 2HG2 ILE 51 3HG2 ILE 51 0.664 0.728 0.728 403 3HG2 ILE 51 2HG2 ILE 51 0.296 2.277 2.277 404 1HD1 ILE 51 2HD1 ILE 51 -1.077 3.018 3.018 405 2HD1 ILE 51 1HD1 ILE 51 -1.817 1.864 1.864 406 3HD1 ILE 51 3HD1 ILE 51 -1.204 3.400 3.400 407 H CYS 52 H CYS 52 2.791 1.595 1.595 408 HA CYS 52 HA CYS 52 3.338 4.395 4.395 409 1HB CYS 52 2HB CYS 52 1.615 2.500 2.500 410 2HB CYS 52 1HB CYS 52 2.978 2.476 2.476 411 H THR 53 H THR 53 5.363 2.380 2.380 412 HA THR 53 HA THR 53 7.201 2.004 2.004 413 HB THR 53 HB THR 53 7.778 1.441 1.441 414 HG1 THR 53 HG1 THR 53 6.762 -0.437 -0.437 415 1HG2 THR 53 2HG2 THR 53 8.835 0.309 0.309 416 2HG2 THR 53 1HG2 THR 53 9.297 -0.252 -0.252 417 3HG2 THR 53 3HG2 THR 53 9.703 1.387 1.387 418 H GLY 54 H GLY 54 8.394 3.734 3.734 419 1HA GLY 54 2HA GLY 54 9.987 5.205 5.205 420 2HA GLY 54 1HA GLY 54 8.728 6.186 6.186 421 H VAL 55 H VAL 55 8.702 5.738 5.738 422 HA VAL 55 HA VAL 55 11.299 5.271 5.271 423 HB VAL 55 HB VAL 55 11.377 7.591 7.591 424 1HG1 VAL 55 2HG1 VAL 55 9.022 8.114 8.114 425 2HG1 VAL 55 1HG1 VAL 55 10.027 8.671 8.671 426 3HG1 VAL 55 3HG1 VAL 55 10.213 9.387 9.387 427 1HG2 VAL 55 1HG2 VAL 55 12.604 6.582 6.582 428 2HG2 VAL 55 3HG2 VAL 55 13.072 8.057 8.057 429 3HG2 VAL 55 2HG2 VAL 55 12.002 8.145 8.145 430 H ILE 56 H ILE 56 10.884 6.549 6.549 431 HA ILE 56 HA ILE 56 8.587 5.024 5.024 432 HB ILE 56 HB ILE 56 10.818 4.982 4.982 433 1HG1 ILE 56 2HG1 ILE 56 8.917 6.311 6.311 434 2HG1 ILE 56 1HG1 ILE 56 8.505 4.751 4.751 435 1HG2 ILE 56 1HG2 ILE 56 10.898 7.660 7.660 436 2HG2 ILE 56 3HG2 ILE 56 10.406 7.640 7.640 437 3HG2 ILE 56 2HG2 ILE 56 11.899 6.843 6.843 438 1HD1 ILE 56 2HD1 ILE 56 11.056 5.369 5.369 439 2HD1 ILE 56 1HD1 ILE 56 9.681 4.466 4.466 440 3HD1 ILE 56 3HD1 ILE 56 10.627 3.806 3.806 441 H ASN 57 H ASN 57 8.157 7.520 7.520 442 HA ASN 57 HA ASN 57 5.874 8.659 8.659 443 1HB ASN 57 2HB ASN 57 7.823 9.521 9.521 444 2HB ASN 57 1HB ASN 57 8.129 10.634 10.634 445 1HD2 ASN 57 2HD2 ASN 57 4.816 11.121 11.121 446 2HD2 ASN 57 1HD2 ASN 57 5.800 9.750 9.750 447 H MET 58 H MET 58 4.959 9.149 9.149 448 HA MET 58 HA MET 58 6.318 11.037 11.037 449 1HB MET 58 2HB MET 58 7.074 8.478 8.478 450 2HB MET 58 1HB MET 58 5.617 8.458 8.458 451 1HG MET 58 2HG MET 58 7.058 10.859 10.859 452 2HG MET 58 1HG MET 58 8.185 9.505 9.505 453 1HE MET 58 2HE MET 58 8.745 9.557 9.557 454 2HE MET 58 1HE MET 58 7.726 9.401 9.401 455 3HE MET 58 3HE MET 58 7.775 10.927 10.927 456 H ASN 59 H ASN 59 5.041 11.074 11.074 457 HA ASN 59 HA ASN 59 2.110 10.659 10.659 458 1HB ASN 59 2HB ASN 59 3.568 13.237 13.237 459 2HB ASN 59 1HB ASN 59 2.054 12.992 12.992 460 1HD2 ASN 59 2HD2 ASN 59 1.909 13.993 13.993 461 2HD2 ASN 59 1HD2 ASN 59 3.325 14.087 14.087 462 H VAL 60 H VAL 60 1.589 9.329 9.329 463 HA VAL 60 HA VAL 60 2.865 9.835 9.835 464 HB VAL 60 HB VAL 60 3.843 7.836 7.836 465 1HG1 VAL 60 3HG1 VAL 60 1.373 7.421 7.421 466 2HG1 VAL 60 2HG1 VAL 60 1.348 6.261 6.261 467 3HG1 VAL 60 1HG1 VAL 60 2.614 6.177 6.177 468 1HG2 VAL 60 3HG2 VAL 60 3.273 8.018 8.018 469 2HG2 VAL 60 2HG2 VAL 60 3.731 6.445 6.445 470 3HG2 VAL 60 1HG2 VAL 60 2.032 6.820 6.820 471 H LEU 61 H LEU 61 1.499 8.867 8.867 472 HA LEU 61 HA LEU 61 -1.405 8.919 8.919 473 1HB LEU 61 2HB LEU 61 -0.180 10.120 10.120 474 2HB LEU 61 1HB LEU 61 -1.871 10.195 10.195 475 HG LEU 61 HG LEU 61 -0.755 11.263 11.263 476 1HD1 LEU 61 2HD1 LEU 61 1.123 11.867 11.867 477 2HD1 LEU 61 1HD1 LEU 61 1.048 12.839 12.839 478 3HD1 LEU 61 3HD1 LEU 61 1.538 11.148 11.148 479 1HD2 LEU 61 1HD2 LEU 61 -1.660 12.439 12.439 480 2HD2 LEU 61 3HD2 LEU 61 -2.422 12.532 12.532 481 3HD2 LEU 61 2HD2 LEU 61 -1.008 13.522 13.522 482 H SER 62 H SER 62 -2.313 6.992 6.992 483 HA SER 62 HA SER 62 -1.184 4.978 4.978 484 1HB SER 62 2HB SER 62 -4.161 5.285 5.285 485 2HB SER 62 1HB SER 62 -3.195 3.817 3.817 486 HG SER 62 HG SER 62 -3.855 4.320 4.320 487 H THR 63 H THR 63 -0.537 5.942 5.942 488 HA THR 63 HA THR 63 -2.315 7.620 7.620 489 HB THR 63 HB THR 63 -0.390 7.218 7.218 490 HG1 THR 63 HG1 THR 63 1.337 6.240 6.240 491 1HG2 THR 63 1HG2 THR 63 -0.683 8.925 8.925 492 2HG2 THR 63 3HG2 THR 63 1.019 8.627 8.627 493 3HG2 THR 63 2HG2 THR 63 -0.031 9.311 9.311 494 H THR 64 H THR 64 -0.907 4.366 4.366 495 HA THR 64 HA THR 64 -2.105 3.824 3.824 496 HB THR 64 HB THR 64 -1.760 1.809 1.809 497 HG1 THR 64 HG1 THR 64 0.201 2.591 2.591 498 1HG2 THR 64 3HG2 THR 64 -2.940 1.472 1.472 499 2HG2 THR 64 2HG2 THR 64 -1.263 1.020 1.020 500 3HG2 THR 64 1HG2 THR 64 -2.186 0.191 0.191 501 H ARG 65 H ARG 65 -3.591 1.935 1.935 502 HA ARG 65 HA ARG 65 -6.086 3.194 3.194 503 1HB ARG 65 2HB ARG 65 -7.488 1.783 1.783 504 2HB ARG 65 1HB ARG 65 -6.428 2.898 2.898 505 1HG ARG 65 2HG ARG 65 -4.755 0.930 0.930 506 2HG ARG 65 1HG ARG 65 -6.138 -0.083 -0.083 507 1HD ARG 65 2HD ARG 65 -5.970 1.801 1.801 508 2HD ARG 65 1HD ARG 65 -5.888 0.040 0.040 509 HE ARG 65 HE ARG 65 -8.274 0.333 0.333 510 1HH1 ARG 65 1HH2 ARG 65 -7.586 3.175 3.175 511 2HH1 ARG 65 2HH2 ARG 65 -8.758 3.091 3.091 512 1HH2 ARG 65 2HH1 ARG 65 -9.477 -0.260 -0.260 513 2HH2 ARG 65 1HH1 ARG 65 -9.823 1.146 1.146 514 H PHE 66 H PHE 66 -6.134 2.358 2.358 515 HA PHE 66 HA PHE 66 -5.874 -0.610 -0.610 516 1HB PHE 66 2HB PHE 66 -5.808 1.713 1.713 517 2HB PHE 66 1HB PHE 66 -5.857 0.028 0.028 518 HD1 PHE 66 HD2 PHE 66 -3.904 2.464 2.464 519 HD2 PHE 66 HD1 PHE 66 -3.897 -1.340 -1.340 520 HE1 PHE 66 HE2 PHE 66 -1.487 2.213 2.213 521 HE2 PHE 66 HE1 PHE 66 -1.481 -1.577 -1.577 522 HZ PHE 66 HZ PHE 66 -0.278 0.192 0.192 523 H GLN 67 H GLN 67 -8.084 -0.175 -0.175 524 HA GLN 67 HA GLN 67 -10.492 0.237 0.237 525 1HB GLN 67 2HB GLN 67 -11.364 -2.075 -2.075 526 2HB GLN 67 1HB GLN 67 -10.171 -1.998 -1.998 527 1HG GLN 67 2HG GLN 67 -8.779 -2.197 -2.197 528 2HG GLN 67 1HG GLN 67 -10.012 -3.454 -3.454 529 1HE2 GLN 67 2HE2 GLN 67 -6.712 -4.305 -4.305 530 2HE2 GLN 67 1HE2 GLN 67 -6.895 -3.392 -3.392 531 H LEU 68 H LEU 68 -11.632 1.574 1.574 532 HA LEU 68 HA LEU 68 -11.724 0.939 0.939 533 1HB LEU 68 2HB LEU 68 -12.977 3.212 3.212 534 2HB LEU 68 1HB LEU 68 -11.244 3.208 3.208 535 HG LEU 68 HG LEU 68 -11.530 3.636 3.636 536 1HD1 LEU 68 1HD1 LEU 68 -14.428 3.042 3.042 537 2HD1 LEU 68 3HD1 LEU 68 -13.976 4.039 4.039 538 3HD1 LEU 68 2HD1 LEU 68 -13.405 2.377 2.377 539 1HD2 LEU 68 1HD2 LEU 68 -11.865 5.516 5.516 540 2HD2 LEU 68 3HD2 LEU 68 -12.490 5.826 5.826 541 3HD2 LEU 68 2HD2 LEU 68 -13.589 5.358 5.358 542 H ASN 69 H ASN 69 -13.680 0.912 0.912 543 HA ASN 69 HA ASN 69 -16.145 0.254 0.254 544 1HB ASN 69 2HB ASN 69 -14.950 -1.606 -1.606 545 2HB ASN 69 1HB ASN 69 -15.720 -0.751 -0.751 546 1HD2 ASN 69 2HD2 ASN 69 -17.951 -3.168 -3.168 547 2HD2 ASN 69 1HD2 ASN 69 -16.263 -3.072 -3.072 548 H THR 70 H THR 70 -17.149 2.304 2.304 549 HA THR 70 HA THR 70 -17.148 3.661 3.661 550 HB THR 70 HB THR 70 -18.133 4.783 4.783 551 HG1 THR 70 HG1 THR 70 -15.971 4.166 4.166 552 1HG2 THR 70 2HG2 THR 70 -18.012 5.726 5.726 553 2HG2 THR 70 1HG2 THR 70 -16.964 6.713 6.713 554 3HG2 THR 70 3HG2 THR 70 -18.670 6.533 6.533 555 H CYS 71 H CYS 71 -18.832 3.707 3.707 556 HA CYS 71 HA CYS 71 -21.558 3.116 3.116 557 1HB CYS 71 2HB CYS 71 -20.437 2.680 2.680 558 2HB CYS 71 1HB CYS 71 -22.144 2.533 2.533 559 H THR 72 H THR 72 -22.536 5.087 5.087 560 HA THR 72 HA THR 72 -21.765 7.276 7.276 561 HB THR 72 HB THR 72 -23.133 7.658 7.658 562 HG1 THR 72 HG1 THR 72 -21.366 6.925 6.925 563 1HG2 THR 72 3HG2 THR 72 -21.564 9.357 9.357 564 2HG2 THR 72 2HG2 THR 72 -21.670 9.798 9.798 565 3HG2 THR 72 1HG2 THR 72 -23.136 9.679 9.679 566 H ARG 73 H ARG 73 -23.344 8.536 8.536 567 HA ARG 73 HA ARG 73 -25.881 7.358 7.358 568 1HB ARG 73 2HB ARG 73 -24.459 9.199 9.199 569 2HB ARG 73 1HB ARG 73 -25.361 10.319 10.319 570 1HG ARG 73 2HG ARG 73 -27.470 9.521 9.521 571 2HG ARG 73 1HG ARG 73 -26.666 8.221 8.221 572 1HD ARG 73 2HD ARG 73 -25.815 9.647 9.647 573 2HD ARG 73 1HD ARG 73 -25.803 11.038 11.038 574 HE ARG 73 HE ARG 73 -27.952 11.541 11.541 575 1HH1 ARG 73 2HH1 ARG 73 -29.927 9.953 9.953 576 2HH1 ARG 73 1HH1 ARG 73 -30.265 8.808 8.808 577 1HH2 ARG 73 1HH2 ARG 73 -27.238 9.281 9.281 578 2HH2 ARG 73 2HH2 ARG 73 -28.745 8.427 8.427 579 H THR 74 H THR 74 -27.951 7.784 7.784 580 HA THR 74 HA THR 74 -27.955 9.334 9.334 581 HB THR 74 HB THR 74 -30.200 7.884 7.884 582 HG1 THR 74 HG1 THR 74 -30.178 6.106 6.106 583 1HG2 THR 74 1HG2 THR 74 -27.391 6.863 6.863 584 2HG2 THR 74 3HG2 THR 74 -28.850 6.252 6.252 585 3HG2 THR 74 2HG2 THR 74 -28.318 7.907 7.907 586 H SER 75 H SER 75 -30.807 8.301 8.301 587 HA SER 75 HA SER 75 -31.342 11.053 11.053 588 1HB SER 75 2HB SER 75 -32.119 10.779 10.779 589 2HB SER 75 1HB SER 75 -33.417 9.806 9.806 590 HG SER 75 HG SER 75 -34.324 11.585 11.585 591 H ILE 76 H ILE 76 -33.717 11.021 11.021 592 HA ILE 76 HA ILE 76 -35.138 10.135 10.135 593 HB ILE 76 HB ILE 76 -34.383 7.389 7.389 594 1HG1 ILE 76 2HG1 ILE 76 -36.490 9.255 9.255 595 2HG1 ILE 76 1HG1 ILE 76 -34.947 8.901 8.901 596 1HG2 ILE 76 3HG2 ILE 76 -36.498 8.582 8.582 597 2HG2 ILE 76 2HG2 ILE 76 -37.071 7.417 7.417 598 3HG2 ILE 76 1HG2 ILE 76 -35.858 6.939 6.939 599 1HD1 ILE 76 1HD1 ILE 76 -36.654 6.588 6.588 600 2HD1 ILE 76 3HD1 ILE 76 -37.141 7.509 7.509 601 3HD1 ILE 76 2HD1 ILE 76 -35.556 6.738 6.738 602 H THR 77 H THR 77 -35.040 8.687 8.687 603 HA THR 77 HA THR 77 -32.223 8.057 8.057 604 HB THR 77 HB THR 77 -32.678 10.254 10.254 605 HG1 THR 77 HG1 THR 77 -31.577 9.095 9.095 606 1HG2 THR 77 2HG2 THR 77 -35.335 9.149 9.149 607 2HG2 THR 77 1HG2 THR 77 -34.751 9.822 9.822 608 3HG2 THR 77 3HG2 THR 77 -34.814 10.832 10.832 609 HA PRO 78 HA PRO 78 -35.215 4.748 4.748 610 1HB PRO 78 2HB PRO 78 -34.636 2.795 2.795 611 2HB PRO 78 1HB PRO 78 -35.911 4.000 4.000 612 1HG PRO 78 2HG PRO 78 -33.255 3.792 3.792 613 2HG PRO 78 1HG PRO 78 -34.723 4.607 4.607 614 1HD PRO 78 2HD PRO 78 -32.434 5.827 5.827 615 2HD PRO 78 1HD PRO 78 -33.960 6.605 6.605 616 H ARG 79 H ARG 79 -34.478 2.395 2.395 617 HA ARG 79 HA ARG 79 -31.549 2.384 2.384 618 1HB ARG 79 2HB ARG 79 -33.850 1.493 1.493 619 2HB ARG 79 1HB ARG 79 -32.186 0.994 0.994 620 1HG ARG 79 2HG ARG 79 -31.505 3.379 3.379 621 2HG ARG 79 1HG ARG 79 -33.182 3.856 3.856 622 1HD ARG 79 2HD ARG 79 -33.793 2.586 2.586 623 2HD ARG 79 1HD ARG 79 -32.072 2.315 2.315 624 HE ARG 79 HE ARG 79 -32.918 5.127 5.127 625 1HH1 ARG 79 1HH2 ARG 79 -30.402 3.918 3.918 626 2HH1 ARG 79 2HH2 ARG 79 -30.740 4.289 4.289 627 1HH2 ARG 79 2HH1 ARG 79 -34.082 5.014 5.014 628 2HH2 ARG 79 1HH1 ARG 79 -32.825 4.907 4.907 629 HA PRO 80 HA PRO 80 -29.803 0.991 0.991 630 1HB PRO 80 2HB PRO 80 -28.196 0.139 0.139 631 2HB PRO 80 1HB PRO 80 -28.544 -0.813 -0.813 632 1HG PRO 80 2HG PRO 80 -29.641 -1.123 -1.123 633 2HG PRO 80 1HG PRO 80 -29.371 -2.353 -2.353 634 1HD PRO 80 2HD PRO 80 -31.859 -1.247 -1.247 635 2HD PRO 80 1HD PRO 80 -31.474 -2.077 -2.077 636 H CYS 81 H CYS 81 -28.072 2.340 2.340 637 HA CYS 81 HA CYS 81 -29.357 4.623 4.623 638 1HB CYS 81 2HB CYS 81 -26.651 3.704 3.704 639 2HB CYS 81 1HB CYS 81 -26.739 4.638 4.638 640 HA PRO 82 HA PRO 82 -29.909 3.459 3.459 641 1HB PRO 82 2HB PRO 82 -30.182 5.949 5.949 642 2HB PRO 82 1HB PRO 82 -31.465 5.172 5.172 643 1HG PRO 82 2HG PRO 82 -29.647 7.406 7.406 644 2HG PRO 82 1HG PRO 82 -31.282 7.040 7.040 645 1HD PRO 82 2HD PRO 82 -28.881 6.489 6.489 646 2HD PRO 82 1HD PRO 82 -30.492 5.838 5.838 647 H TYR 83 H TYR 83 -28.065 2.715 2.715 648 HA TYR 83 HA TYR 83 -26.059 4.738 4.738 649 1HB TYR 83 2HB TYR 83 -25.535 2.318 2.318 650 2HB TYR 83 1HB TYR 83 -24.340 2.777 2.777 651 HD1 TYR 83 HD2 TYR 83 -26.423 4.307 4.307 652 HD2 TYR 83 HD1 TYR 83 -22.753 4.350 4.350 653 HE1 TYR 83 HE2 TYR 83 -25.552 6.103 6.103 654 HE2 TYR 83 HE1 TYR 83 -21.885 6.143 6.143 655 HH TYR 83 HH TYR 83 -23.916 7.736 7.736 656 H SER 84 H SER 84 -25.264 4.399 4.399 657 HA SER 84 HA SER 84 -26.180 1.930 1.930 658 1HB SER 84 2HB SER 84 -25.274 4.461 4.461 659 2HB SER 84 1HB SER 84 -26.370 3.214 3.214 660 HG SER 84 HG SER 84 -27.978 4.125 4.125 661 H SER 85 H SER 85 -24.557 0.600 0.600 662 HA SER 85 HA SER 85 -21.754 1.453 1.453 663 1HB SER 85 2HB SER 85 -22.763 -0.818 -0.818 664 2HB SER 85 1HB SER 85 -22.588 -1.291 -1.291 665 HG SER 85 HG SER 85 -20.455 -1.200 -1.200 666 H ARG 86 H ARG 86 -20.136 1.333 1.333 667 HA ARG 86 HA ARG 86 -20.823 0.726 0.726 668 1HB ARG 86 2HB ARG 86 -21.367 3.214 3.214 669 2HB ARG 86 1HB ARG 86 -19.617 3.424 3.424 670 1HG ARG 86 2HG ARG 86 -19.380 3.159 3.159 671 2HG ARG 86 1HG ARG 86 -20.643 1.930 1.930 672 1HD ARG 86 2HD ARG 86 -21.791 3.625 3.625 673 2HD ARG 86 1HD ARG 86 -22.163 4.065 4.065 674 HE ARG 86 HE ARG 86 -19.853 5.289 5.289 675 1HH1 ARG 86 2HH1 ARG 86 -23.055 5.853 5.853 676 2HH1 ARG 86 1HH1 ARG 86 -22.777 7.362 7.362 677 1HH2 ARG 86 1HH2 ARG 86 -19.323 7.081 7.081 678 2HH2 ARG 86 2HH2 ARG 86 -20.665 8.059 8.059 679 H THR 87 H THR 87 -18.889 0.529 0.529 680 HA THR 87 HA THR 87 -16.329 0.361 0.361 681 HB THR 87 HB THR 87 -17.200 -1.502 -1.502 682 HG1 THR 87 HG1 THR 87 -18.448 -1.840 -1.840 683 1HG2 THR 87 3HG2 THR 87 -14.830 -1.395 -1.395 684 2HG2 THR 87 2HG2 THR 87 -15.286 -2.866 -2.866 685 3HG2 THR 87 1HG2 THR 87 -14.823 -1.425 -1.425 686 H GLU 88 H GLU 88 -14.497 1.156 1.156 687 HA GLU 88 HA GLU 88 -14.408 1.678 1.678 688 1HB GLU 88 2HB GLU 88 -15.652 3.660 3.660 689 2HB GLU 88 1HB GLU 88 -14.055 4.292 4.292 690 1HG GLU 88 2HG GLU 88 -14.555 3.595 3.595 691 2HG GLU 88 1HG GLU 88 -16.229 3.401 3.401 692 H THR 89 H THR 89 -12.470 3.518 3.518 693 HA THR 89 HA THR 89 -10.069 2.178 2.178 694 HB THR 89 HB THR 89 -10.501 5.004 5.004 695 HG1 THR 89 HG1 THR 89 -11.138 3.214 3.214 696 1HG2 THR 89 1HG2 THR 89 -8.137 3.749 3.749 697 2HG2 THR 89 3HG2 THR 89 -7.955 3.943 3.943 698 3HG2 THR 89 2HG2 THR 89 -8.303 5.343 5.343 699 H ASN 90 H ASN 90 -8.592 2.734 2.734 700 HA ASN 90 HA ASN 90 -9.721 4.626 4.626 701 1HB ASN 90 2HB ASN 90 -9.412 2.172 2.172 702 2HB ASN 90 1HB ASN 90 -7.686 2.515 2.515 703 1HD2 ASN 90 2HD2 ASN 90 -8.108 3.426 3.426 704 2HD2 ASN 90 1HD2 ASN 90 -7.472 2.275 2.275 705 H TYR 91 H TYR 91 -8.826 6.459 6.459 706 HA TYR 91 HA TYR 91 -5.854 6.731 6.731 707 1HB TYR 91 2HB TYR 91 -7.478 7.687 7.687 708 2HB TYR 91 1HB TYR 91 -7.721 8.980 8.980 709 HD1 TYR 91 HD2 TYR 91 -5.708 10.214 10.214 710 HD2 TYR 91 HD1 TYR 91 -5.472 7.547 7.547 711 HE1 TYR 91 HE2 TYR 91 -3.539 11.225 11.225 712 HE2 TYR 91 HE1 TYR 91 -3.302 8.562 8.562 713 HH TYR 91 HH TYR 91 -2.164 10.872 10.872 714 H ILE 92 H ILE 92 -5.517 6.778 6.778 715 HA ILE 92 HA ILE 92 -6.985 8.922 8.922 716 HB ILE 92 HB ILE 92 -7.764 6.518 6.518 717 1HG1 ILE 92 2HG1 ILE 92 -6.773 7.606 7.606 718 2HG1 ILE 92 1HG1 ILE 92 -7.895 8.570 8.570 719 1HG2 ILE 92 3HG2 ILE 92 -5.204 5.807 5.807 720 2HG2 ILE 92 2HG2 ILE 92 -5.454 6.134 6.134 721 3HG2 ILE 92 1HG2 ILE 92 -6.453 4.936 4.936 722 1HD1 ILE 92 1HD1 ILE 92 -9.435 6.609 6.609 723 2HD1 ILE 92 3HD1 ILE 92 -8.338 5.725 5.725 724 3HD1 ILE 92 2HD1 ILE 92 -9.165 7.165 7.165 725 H CYS 93 H CYS 93 -5.841 9.288 9.288 726 HA CYS 93 HA CYS 93 -2.887 9.410 9.410 727 1HB CYS 93 2HB CYS 93 -3.993 11.638 11.638 728 2HB CYS 93 1HB CYS 93 -4.619 11.343 11.343 729 H VAL 94 H VAL 94 -1.880 8.039 8.039 730 HA VAL 94 HA VAL 94 -3.130 7.383 7.383 731 HB VAL 94 HB VAL 94 -2.823 5.475 5.475 732 1HG1 VAL 94 1HG1 VAL 94 -0.551 6.653 6.653 733 2HG1 VAL 94 3HG1 VAL 94 0.131 5.561 5.561 734 3HG1 VAL 94 2HG1 VAL 94 -0.811 4.916 4.916 735 1HG2 VAL 94 1HG2 VAL 94 -2.530 5.402 5.402 736 2HG2 VAL 94 3HG2 VAL 94 -2.035 4.001 4.001 737 3HG2 VAL 94 2HG2 VAL 94 -0.823 5.144 5.144 738 H LYS 95 H LYS 95 -1.605 7.000 7.000 739 HA LYS 95 HA LYS 95 0.784 8.739 8.739 740 1HB LYS 95 2HB LYS 95 -1.070 8.398 8.398 741 2HB LYS 95 1HB LYS 95 0.434 9.320 9.320 742 1HG LYS 95 2HG LYS 95 -0.403 10.793 10.793 743 2HG LYS 95 1HG LYS 95 -1.899 9.863 9.863 744 1HD LYS 95 2HD LYS 95 -2.461 11.693 11.693 745 2HD LYS 95 1HD LYS 95 -2.119 10.402 10.402 746 1HE LYS 95 2HE LYS 95 -0.041 11.308 11.308 747 2HE LYS 95 1HE LYS 95 0.085 12.242 12.242 748 1HZ LYS 95 3HZ LYS 95 -1.762 13.621 13.621 749 2HZ LYS 95 2HZ LYS 95 -1.812 12.747 12.747 750 3HZ LYS 95 1HZ LYS 95 -0.446 13.681 13.681 751 H CYS 96 H CYS 96 2.739 7.956 7.956 752 HA CYS 96 HA CYS 96 2.560 5.103 5.103 753 1HB CYS 96 2HB CYS 96 5.066 6.272 6.272 754 2HB CYS 96 1HB CYS 96 4.534 4.593 4.593 755 H GLU 97 H GLU 97 3.058 4.723 4.723 756 HA GLU 97 HA GLU 97 5.329 6.162 6.162 757 1HB GLU 97 2HB GLU 97 3.295 7.021 7.021 758 2HB GLU 97 1HB GLU 97 2.702 5.382 5.382 759 1HG GLU 97 2HG GLU 97 4.359 4.919 4.919 760 2HG GLU 97 1HG GLU 97 5.367 6.269 6.269 761 H ASN 98 H ASN 98 6.703 4.608 4.608 762 HA ASN 98 HA ASN 98 7.630 2.418 2.418 763 1HB ASN 98 2HB ASN 98 4.702 2.093 2.093 764 2HB ASN 98 1HB ASN 98 5.657 0.630 0.630 765 1HD2 ASN 98 2HD2 ASN 98 6.734 3.066 3.066 766 2HD2 ASN 98 1HD2 ASN 98 6.138 3.774 3.774 767 H GLN 99 H GLN 99 6.857 3.523 3.523 768 HA GLN 99 HA GLN 99 6.615 3.065 3.065 769 1HB GLN 99 2HB GLN 99 7.927 1.141 1.141 770 2HB GLN 99 1HB GLN 99 8.824 2.114 2.114 771 1HG GLN 99 2HG GLN 99 8.452 0.494 0.494 772 2HG GLN 99 1HG GLN 99 7.339 -0.423 -0.423 773 1HE2 GLN 99 2HE2 GLN 99 11.262 -0.492 -0.492 774 2HE2 GLN 99 1HE2 GLN 99 10.569 0.985 0.985 775 H TYR 100 H TYR 100 4.493 1.856 1.856 776 HA TYR 100 HA TYR 100 3.201 0.254 0.254 777 1HB TYR 100 2HB TYR 100 2.606 -1.414 -1.414 778 2HB TYR 100 1HB TYR 100 3.753 -0.741 -0.741 779 HD1 TYR 100 HD2 TYR 100 0.156 -0.058 -0.058 780 HD2 TYR 100 HD1 TYR 100 2.955 -0.468 -0.468 781 HE1 TYR 100 HE2 TYR 100 -1.671 0.353 0.353 782 HE2 TYR 100 HE1 TYR 100 1.128 -0.062 -0.062 783 HH TYR 100 HH TYR 100 -1.625 1.333 1.333 784 HA PRO 101 HA PRO 101 0.535 3.727 3.727 785 1HB PRO 101 2HB PRO 101 -1.877 2.554 2.554 786 2HB PRO 101 1HB PRO 101 -0.596 2.935 2.935 787 1HG PRO 101 2HG PRO 101 -1.296 0.284 0.284 788 2HG PRO 101 1HG PRO 101 -0.697 0.640 0.640 789 1HD PRO 101 2HD PRO 101 0.922 -0.349 -0.349 790 2HD PRO 101 1HD PRO 101 1.527 0.684 0.684 791 H VAL 102 H VAL 102 0.625 4.228 4.228 792 HA VAL 102 HA VAL 102 -1.111 2.752 2.752 793 HB VAL 102 HB VAL 102 0.920 4.973 4.973 794 1HG1 VAL 102 3HG1 VAL 102 -0.779 3.561 3.561 795 2HG1 VAL 102 2HG1 VAL 102 0.645 4.529 4.529 796 3HG1 VAL 102 1HG1 VAL 102 -0.764 5.287 5.287 797 1HG2 VAL 102 1HG2 VAL 102 1.365 2.339 2.339 798 2HG2 VAL 102 3HG2 VAL 102 2.399 3.336 3.336 799 3HG2 VAL 102 2HG2 VAL 102 1.153 2.335 2.335 800 H HIS 103 H HIS 103 -1.326 5.585 5.585 801 HA HIS 103 HA HIS 103 -3.814 6.369 6.369 802 1HB HIS 103 2HB HIS 103 -2.559 8.824 8.824 803 2HB HIS 103 1HB HIS 103 -2.854 8.223 8.223 804 HD1 HIS 103 HD1 HIS 103 -0.717 8.531 8.531 805 HD2 HIS 103 HD2 HIS 103 0.041 7.114 7.114 806 HE1 HIS 103 HE1 HIS 103 1.781 8.081 8.081 807 H PHE 104 H PHE 104 -5.355 7.355 7.355 808 HA PHE 104 HA PHE 104 -4.413 7.159 7.159 809 1HB PHE 104 2HB PHE 104 -6.751 6.092 6.092 810 2HB PHE 104 1HB PHE 104 -7.327 7.635 7.635 811 HD1 PHE 104 HD1 PHE 104 -4.916 7.606 7.606 812 HD2 PHE 104 HD2 PHE 104 -8.088 4.906 4.906 813 HE1 PHE 104 HE1 PHE 104 -4.749 6.625 6.625 814 HE2 PHE 104 HE2 PHE 104 -7.944 3.912 3.912 815 HZ PHE 104 HZ PHE 104 -6.285 4.759 4.759 816 H ALA 105 H ALA 105 -3.936 9.070 9.070 817 HA ALA 105 HA ALA 105 -4.343 11.627 11.627 818 1HB ALA 105 3HB ALA 105 -3.279 10.649 10.649 819 2HB ALA 105 2HB ALA 105 -4.002 12.253 12.253 820 3HB ALA 105 1HB ALA 105 -2.691 11.933 11.933 821 H GLY 106 H GLY 106 -6.258 9.854 9.854 822 1HA GLY 106 2HA GLY 106 -8.769 10.433 10.433 823 2HA GLY 106 1HA GLY 106 -8.250 12.086 12.086 824 H ILE 107 H ILE 107 -9.736 12.017 12.017 825 HA ILE 107 HA ILE 107 -9.642 10.230 10.230 826 HB ILE 107 HB ILE 107 -11.375 11.987 11.987 827 1HG1 ILE 107 2HG1 ILE 107 -11.597 12.680 12.680 828 2HG1 ILE 107 1HG1 ILE 107 -9.930 12.209 12.209 829 1HG2 ILE 107 1HG2 ILE 107 -9.703 13.767 13.767 830 2HG2 ILE 107 3HG2 ILE 107 -9.307 13.933 13.933 831 3HG2 ILE 107 2HG2 ILE 107 -10.936 14.300 14.300 832 1HD1 ILE 107 2HD1 ILE 107 -11.319 10.019 10.019 833 2HD1 ILE 107 1HD1 ILE 107 -12.244 10.572 10.572 834 3HD1 ILE 107 3HD1 ILE 107 -10.567 10.071 10.071 835 H GLY 108 H GLY 108 -8.717 10.647 10.647 836 1HA GLY 108 2HA GLY 108 -5.891 10.893 10.893 837 2HA GLY 108 1HA GLY 108 -6.886 11.000 11.000 838 H ARG 109 H ARG 109 -5.303 12.833 12.833 839 HA ARG 109 HA ARG 109 -4.951 15.172 15.172 840 1HB ARG 109 2HB ARG 109 -7.474 14.977 14.977 841 2HB ARG 109 1HB ARG 109 -6.538 16.337 16.337 842 1HG ARG 109 2HG ARG 109 -6.183 17.044 17.044 843 2HG ARG 109 1HG ARG 109 -7.376 15.823 15.823 844 1HD ARG 109 2HD ARG 109 -8.949 16.923 16.923 845 2HD ARG 109 1HD ARG 109 -7.785 18.245 18.245 846 HE ARG 109 HE ARG 109 -9.017 17.452 17.452 847 1HH1 ARG 109 2HH1 ARG 109 -6.903 19.662 19.662 848 2HH1 ARG 109 1HH1 ARG 109 -7.910 21.070 21.070 849 1HH2 ARG 109 1HH2 ARG 109 -10.864 19.300 19.300 850 2HH2 ARG 109 2HH2 ARG 109 -10.152 20.866 20.866 851 H CYS 110 H CYS 110 -2.896 15.466 15.466 852 HA CYS 110 HA CYS 110 -2.564 16.236 16.236 853 1HB CYS 110 2HB CYS 110 -1.382 13.768 13.768 854 2HB CYS 110 1HB CYS 110 -0.490 14.635 14.635 855 HA PRO 111 HA PRO 111 0.183 18.422 18.422 856 1HB PRO 111 2HB PRO 111 -1.045 20.878 20.878 857 2HB PRO 111 1HB PRO 111 -1.478 19.609 19.609 858 1HG PRO 111 2HG PRO 111 -2.951 20.518 20.518 859 2HG PRO 111 1HG PRO 111 -3.579 19.772 19.772 860 1HD PRO 111 1HD PRO 111 -3.169 18.461 18.461 861 2HD PRO 111 2HD PRO 111 -3.469 17.674 17.674 Start of MODEL 11 1 HN PCA 1 HN PCA 1 -2.537 4.558 4.558 2 HA PCA 1 HA PCA 1 -2.329 5.187 5.187 3 1HB PCA 1 1HB PCA 1 -4.319 5.403 5.403 4 2HB PCA 1 2HB PCA 1 -4.597 3.659 3.659 5 1HG PCA 1 1HG PCA 1 -5.828 5.806 5.806 6 2HG PCA 1 2HG PCA 1 -6.111 4.063 4.063 7 H ASN 2 H ASN 2 -3.580 2.254 2.254 8 HA ASN 2 HA ASN 2 -1.323 0.688 0.688 9 1HB ASN 2 2HB ASN 2 -2.802 0.576 0.576 10 2HB ASN 2 1HB ASN 2 -4.133 0.038 0.038 11 1HD2 ASN 2 2HD2 ASN 2 -1.009 -2.623 -2.623 12 2HD2 ASN 2 1HD2 ASN 2 -0.663 -0.970 -0.970 13 H TRP 3 H TRP 3 -1.213 -1.392 -1.392 14 HA TRP 3 HA TRP 3 -2.116 -1.351 -1.351 15 1HB TRP 3 2HB TRP 3 -0.178 -2.730 -2.730 16 2HB TRP 3 1HB TRP 3 -1.225 -3.975 -3.975 17 HD1 TRP 3 HD1 TRP 3 1.844 -2.481 -2.481 18 HE1 TRP 3 HE1 TRP 3 2.499 -2.576 -2.576 19 HE3 TRP 3 HE3 TRP 3 -2.755 -3.311 -3.311 20 HZ2 TRP 3 HZ2 TRP 3 1.281 -2.961 -2.961 21 HZ3 TRP 3 HZ3 TRP 3 -2.948 -3.562 -3.562 22 HH2 TRP 3 HH2 TRP 3 -0.935 -3.390 -3.390 23 H ALA 4 H ALA 4 -3.390 -2.851 -2.851 24 HA ALA 4 HA ALA 4 -5.045 -4.850 -4.850 25 1HB ALA 4 3HB ALA 4 -5.005 -3.671 -3.671 26 2HB ALA 4 2HB ALA 4 -6.194 -4.876 -4.876 27 3HB ALA 4 1HB ALA 4 -4.475 -5.272 -5.272 28 H THR 5 H THR 5 -6.011 -1.914 -1.914 29 HA THR 5 HA THR 5 -8.703 -1.855 -1.855 30 HB THR 5 HB THR 5 -7.054 0.530 0.530 31 HG1 THR 5 HG1 THR 5 -7.662 -0.043 -0.043 32 1HG2 THR 5 1HG2 THR 5 -9.451 0.653 0.653 33 2HG2 THR 5 3HG2 THR 5 -9.975 0.105 0.105 34 3HG2 THR 5 2HG2 THR 5 -9.074 1.614 1.614 35 H PHE 6 H PHE 6 -5.654 -0.607 -0.607 36 HA PHE 6 HA PHE 6 -6.830 0.925 0.925 37 1HB PHE 6 2HB PHE 6 -4.595 1.422 1.422 38 2HB PHE 6 1HB PHE 6 -4.037 -0.098 -0.098 39 HD1 PHE 6 HD2 PHE 6 -4.185 -0.455 -0.455 40 HD2 PHE 6 HD1 PHE 6 -4.817 3.409 3.409 41 HE1 PHE 6 HE2 PHE 6 -3.838 0.623 0.623 42 HE2 PHE 6 HE1 PHE 6 -4.480 4.492 4.492 43 HZ PHE 6 HZ PHE 6 -3.995 3.090 3.090 44 H GLN 7 H GLN 7 -5.954 -2.397 -2.397 45 HA GLN 7 HA GLN 7 -5.625 -3.331 -3.331 46 1HB GLN 7 2HB GLN 7 -5.292 -4.781 -4.781 47 2HB GLN 7 1HB GLN 7 -7.041 -4.793 -4.793 48 1HG GLN 7 2HG GLN 7 -7.413 -5.958 -5.958 49 2HG GLN 7 1HG GLN 7 -5.772 -5.651 -5.651 50 1HE2 GLN 7 2HE2 GLN 7 -6.485 -8.966 -8.966 51 2HE2 GLN 7 1HE2 GLN 7 -7.720 -7.995 -7.995 52 H GLN 8 H GLN 8 -8.428 -2.478 -2.478 53 HA GLN 8 HA GLN 8 -10.399 -3.302 -3.302 54 1HB GLN 8 2HB GLN 8 -10.444 -1.854 -1.854 55 2HB GLN 8 1HB GLN 8 -11.793 -1.595 -1.595 56 1HG GLN 8 2HG GLN 8 -12.594 -3.466 -3.466 57 2HG GLN 8 1HG GLN 8 -11.629 -4.269 -4.269 58 1HE2 GLN 8 2HE2 GLN 8 -9.151 -5.421 -5.421 59 2HE2 GLN 8 1HE2 GLN 8 -9.546 -5.184 -5.184 60 H LYS 9 H LYS 9 -8.733 -0.321 -0.321 61 HA LYS 9 HA LYS 9 -10.048 1.669 1.669 62 1HB LYS 9 2HB LYS 9 -7.102 1.291 1.291 63 2HB LYS 9 1HB LYS 9 -7.675 2.656 2.656 64 1HG LYS 9 2HG LYS 9 -8.824 1.981 1.981 65 2HG LYS 9 1HG LYS 9 -7.422 3.034 3.034 66 1HD LYS 9 2HD LYS 9 -9.196 4.068 4.068 67 2HD LYS 9 1HD LYS 9 -10.270 3.572 3.572 68 1HE LYS 9 2HE LYS 9 -7.762 5.102 5.102 69 2HE LYS 9 1HE LYS 9 -9.189 5.962 5.962 70 1HZ LYS 9 2HZ LYS 9 -10.296 4.424 4.424 71 2HZ LYS 9 1HZ LYS 9 -8.745 4.582 4.582 72 3HZ LYS 9 3HZ LYS 9 -9.668 5.965 5.965 73 H HIS 10 H HIS 10 -7.483 -0.406 -0.406 74 HA HIS 10 HA HIS 10 -8.178 0.559 0.559 75 1HB HIS 10 2HB HIS 10 -5.785 -0.765 -0.765 76 2HB HIS 10 1HB HIS 10 -6.143 -1.117 -1.117 77 HD1 HIS 10 HD1 HIS 10 -4.930 0.385 0.385 78 HD2 HIS 10 HD2 HIS 10 -6.059 2.334 2.334 79 HE1 HIS 10 HE1 HIS 10 -4.023 2.742 2.742 80 H ILE 11 H ILE 11 -8.845 -2.219 -2.219 81 HA ILE 11 HA ILE 11 -9.532 -3.696 -3.696 82 HB ILE 11 HB ILE 11 -8.762 -5.068 -5.068 83 1HG1 ILE 11 2HG1 ILE 11 -6.865 -3.667 -3.667 84 2HG1 ILE 11 1HG1 ILE 11 -6.515 -5.361 -5.361 85 1HG2 ILE 11 1HG2 ILE 11 -9.977 -6.050 -6.050 86 2HG2 ILE 11 3HG2 ILE 11 -8.286 -6.246 -6.246 87 3HG2 ILE 11 2HG2 ILE 11 -8.894 -7.000 -7.000 88 1HD1 ILE 11 1HD1 ILE 11 -7.767 -4.457 -4.457 89 2HD1 ILE 11 3HD1 ILE 11 -6.712 -3.126 -3.126 90 3HD1 ILE 11 2HD1 ILE 11 -6.043 -4.733 -4.733 91 H ILE 12 H ILE 12 -11.654 -2.419 -2.419 92 HA ILE 12 HA ILE 12 -13.441 -4.112 -4.112 93 HB ILE 12 HB ILE 12 -14.092 -1.515 -1.515 94 1HG1 ILE 12 2HG1 ILE 12 -14.196 -1.149 -1.149 95 2HG1 ILE 12 1HG1 ILE 12 -12.679 -1.987 -1.987 96 1HG2 ILE 12 3HG2 ILE 12 -15.599 -3.417 -3.417 97 2HG2 ILE 12 2HG2 ILE 12 -15.952 -1.699 -1.699 98 3HG2 ILE 12 1HG2 ILE 12 -16.152 -2.494 -2.494 99 1HD1 ILE 12 3HD1 ILE 12 -12.234 -0.253 -0.253 100 2HD1 ILE 12 2HD1 ILE 12 -13.616 0.637 0.637 101 3HD1 ILE 12 1HD1 ILE 12 -12.209 0.362 0.362 102 H ASN 13 H ASN 13 -12.615 -5.626 -5.626 103 HA ASN 13 HA ASN 13 -13.585 -5.317 -5.317 104 1HB ASN 13 2HB ASN 13 -12.762 -7.611 -7.611 105 2HB ASN 13 1HB ASN 13 -11.577 -6.622 -6.622 106 1HD2 ASN 13 2HD2 ASN 13 -12.841 -9.996 -9.996 107 2HD2 ASN 13 1HD2 ASN 13 -13.081 -9.631 -9.631 108 H THR 14 H THR 14 -15.856 -4.887 -4.887 109 HA THR 14 HA THR 14 -17.456 -7.402 -7.402 110 HB THR 14 HB THR 14 -19.180 -6.043 -6.043 111 HG1 THR 14 HG1 THR 14 -17.868 -4.110 -4.110 112 1HG2 THR 14 3HG2 THR 14 -16.642 -7.251 -7.251 113 2HG2 THR 14 2HG2 THR 14 -17.941 -6.706 -6.706 114 3HG2 THR 14 1HG2 THR 14 -18.245 -7.984 -7.984 115 HA PRO 15 HA PRO 15 -18.473 -4.325 -4.325 116 1HB PRO 15 2HB PRO 15 -18.218 -6.061 -6.061 117 2HB PRO 15 1HB PRO 15 -16.888 -5.094 -5.094 118 1HG PRO 15 2HG PRO 15 -17.408 -8.006 -8.006 119 2HG PRO 15 1HG PRO 15 -15.877 -7.121 -7.121 120 1HD PRO 15 2HD PRO 15 -17.421 -8.100 -8.100 121 2HD PRO 15 1HD PRO 15 -16.035 -6.987 -6.987 122 H ILE 16 H ILE 16 -20.192 -6.713 -6.713 123 HA ILE 16 HA ILE 16 -22.125 -7.523 -7.523 124 HB ILE 16 HB ILE 16 -23.628 -7.882 -7.882 125 1HG1 ILE 16 2HG1 ILE 16 -21.272 -7.005 -7.005 126 2HG1 ILE 16 1HG1 ILE 16 -22.544 -5.866 -5.866 127 1HG2 ILE 16 1HG2 ILE 16 -20.850 -8.936 -8.936 128 2HG2 ILE 16 3HG2 ILE 16 -21.746 -9.340 -9.340 129 3HG2 ILE 16 2HG2 ILE 16 -22.388 -9.788 -9.788 130 1HD1 ILE 16 1HD1 ILE 16 -24.107 -7.851 -7.851 131 2HD1 ILE 16 3HD1 ILE 16 -22.672 -8.237 -8.237 132 3HD1 ILE 16 2HD1 ILE 16 -23.440 -6.657 -6.657 133 H ILE 17 H ILE 17 -24.632 -6.652 -6.652 134 HA ILE 17 HA ILE 17 -24.504 -3.735 -3.735 135 HB ILE 17 HB ILE 17 -27.078 -5.266 -5.266 136 1HG1 ILE 17 2HG1 ILE 17 -25.479 -6.779 -6.779 137 2HG1 ILE 17 1HG1 ILE 17 -26.463 -5.960 -5.960 138 1HG2 ILE 17 2HG2 ILE 17 -25.717 -2.939 -2.939 139 2HG2 ILE 17 1HG2 ILE 17 -27.093 -3.740 -3.740 140 3HG2 ILE 17 3HG2 ILE 17 -27.276 -2.984 -2.984 141 1HD1 ILE 17 2HD1 ILE 17 -24.240 -4.273 -4.273 142 2HD1 ILE 17 1HD1 ILE 17 -23.586 -5.908 -5.908 143 3HD1 ILE 17 3HD1 ILE 17 -24.552 -5.275 -5.275 144 H ASN 18 H ASN 18 -24.097 -4.637 -4.637 145 HA ASN 18 HA ASN 18 -26.354 -3.208 -3.208 146 1HB ASN 18 2HB ASN 18 -25.197 -5.754 -5.754 147 2HB ASN 18 1HB ASN 18 -26.643 -4.877 -4.877 148 1HD2 ASN 18 2HD2 ASN 18 -28.492 -6.053 -6.053 149 2HD2 ASN 18 1HD2 ASN 18 -28.174 -4.574 -4.574 150 H CYS 19 H CYS 19 -25.097 -1.435 -1.435 151 HA CYS 19 HA CYS 19 -22.346 -1.762 -1.762 152 1HB CYS 19 2HB CYS 19 -24.015 0.775 0.775 153 2HB CYS 19 1HB CYS 19 -22.263 0.635 0.635 154 H ASN 20 H ASN 20 -25.439 -1.896 -1.896 155 HA ASN 20 HA ASN 20 -24.414 -0.980 -0.980 156 1HB ASN 20 2HB ASN 20 -26.706 -1.825 -1.825 157 2HB ASN 20 1HB ASN 20 -26.698 -0.443 -0.443 158 1HD2 ASN 20 2HD2 ASN 20 -28.483 -3.904 -3.904 159 2HD2 ASN 20 1HD2 ASN 20 -27.722 -3.771 -3.771 160 H THR 21 H THR 21 -25.711 -4.066 -4.066 161 HA THR 21 HA THR 21 -25.121 -5.709 -5.709 162 HB THR 21 HB THR 21 -24.772 -7.486 -7.486 163 HG1 THR 21 HG1 THR 21 -26.025 -6.710 -6.710 164 1HG2 THR 21 1HG2 THR 21 -26.839 -6.730 -6.730 165 2HG2 THR 21 3HG2 THR 21 -27.540 -6.492 -6.492 166 3HG2 THR 21 2HG2 THR 21 -26.903 -8.071 -8.071 167 H ILE 22 H ILE 22 -23.025 -4.652 -4.652 168 HA ILE 22 HA ILE 22 -20.788 -6.319 -6.319 169 HB ILE 22 HB ILE 22 -19.538 -5.299 -5.299 170 1HG1 ILE 22 2HG1 ILE 22 -21.883 -3.398 -3.398 171 2HG1 ILE 22 1HG1 ILE 22 -20.346 -2.955 -2.955 172 1HG2 ILE 22 1HG2 ILE 22 -22.359 -6.166 -6.166 173 2HG2 ILE 22 3HG2 ILE 22 -21.448 -5.516 -5.516 174 3HG2 ILE 22 2HG2 ILE 22 -20.847 -6.926 -6.926 175 1HD1 ILE 22 3HD1 ILE 22 -19.928 -4.273 -4.273 176 2HD1 ILE 22 2HD1 ILE 22 -20.968 -2.868 -2.868 177 3HD1 ILE 22 1HD1 ILE 22 -19.370 -2.693 -2.693 178 H MET 23 H MET 23 -21.846 -2.981 -2.981 179 HA MET 23 HA MET 23 -19.440 -2.293 -2.293 180 1HB MET 23 2HB MET 23 -20.328 -0.785 -0.785 181 2HB MET 23 1HB MET 23 -21.698 -0.446 -0.446 182 1HG MET 23 2HG MET 23 -19.292 -0.153 -0.153 183 2HG MET 23 1HG MET 23 -19.118 0.768 0.768 184 1HE MET 23 1HE MET 23 -21.231 1.541 1.541 185 2HE MET 23 3HE MET 23 -22.627 2.243 2.243 186 3HE MET 23 2HE MET 23 -21.162 3.195 3.195 187 H ASP 24 H ASP 24 -21.519 -4.115 -4.115 188 HA ASP 24 HA ASP 24 -23.040 -2.588 -2.588 189 1HB ASP 24 2HB ASP 24 -22.962 -5.410 -5.410 190 2HB ASP 24 1HB ASP 24 -23.521 -5.153 -5.153 191 H ASN 25 H ASN 25 -20.357 -2.140 -2.140 192 HA ASN 25 HA ASN 25 -19.809 -3.677 -3.677 193 1HB ASN 25 2HB ASN 25 -18.201 -4.262 -4.262 194 2HB ASN 25 1HB ASN 25 -17.675 -2.589 -2.589 195 1HD2 ASN 25 2HD2 ASN 25 -16.973 -4.634 -4.634 196 2HD2 ASN 25 1HD2 ASN 25 -18.459 -4.841 -4.841 197 H ASN 26 H ASN 26 -18.713 -2.441 -2.441 198 HA ASN 26 HA ASN 26 -19.640 0.318 0.318 199 1HB ASN 26 2HB ASN 26 -17.697 -1.156 -1.156 200 2HB ASN 26 1HB ASN 26 -18.580 0.320 0.320 201 1HD2 ASN 26 2HD2 ASN 26 -20.487 -3.287 -3.287 202 2HD2 ASN 26 1HD2 ASN 26 -18.922 -3.174 -3.174 203 H ILE 27 H ILE 27 -16.837 -1.082 -1.082 204 HA ILE 27 HA ILE 27 -15.036 1.149 1.149 205 HB ILE 27 HB ILE 27 -14.224 -1.170 -1.170 206 1HG1 ILE 27 2HG1 ILE 27 -13.194 0.800 0.800 207 2HG1 ILE 27 1HG1 ILE 27 -12.854 0.950 0.950 208 1HG2 ILE 27 2HG2 ILE 27 -15.922 -1.452 -1.452 209 2HG2 ILE 27 1HG2 ILE 27 -14.720 -0.605 -0.605 210 3HG2 ILE 27 3HG2 ILE 27 -14.309 -2.137 -2.137 211 1HD1 ILE 27 3HD1 ILE 27 -12.309 -1.619 -1.619 212 2HD1 ILE 27 2HD1 ILE 27 -11.126 -0.312 -0.312 213 3HD1 ILE 27 1HD1 ILE 27 -11.637 -1.078 -1.078 214 H TYR 28 H TYR 28 -17.731 0.996 0.996 215 HA TYR 28 HA TYR 28 -16.617 2.983 2.983 216 1HB TYR 28 2HB TYR 28 -18.936 1.052 1.052 217 2HB TYR 28 1HB TYR 28 -18.396 2.243 2.243 218 HD1 TYR 28 HD2 TYR 28 -15.781 2.202 2.202 219 HD2 TYR 28 HD1 TYR 28 -18.076 -1.117 -1.117 220 HE1 TYR 28 HE2 TYR 28 -14.062 0.646 0.646 221 HE2 TYR 28 HE1 TYR 28 -16.353 -2.683 -2.683 222 HH TYR 28 HH TYR 28 -13.967 -2.651 -2.651 223 H ILE 29 H ILE 29 -17.340 4.119 4.119 224 HA ILE 29 HA ILE 29 -19.979 5.408 5.408 225 HB ILE 29 HB ILE 29 -19.123 4.470 4.470 226 1HG1 ILE 29 2HG1 ILE 29 -19.720 2.575 2.575 227 2HG1 ILE 29 1HG1 ILE 29 -20.920 2.807 2.807 228 1HG2 ILE 29 1HG2 ILE 29 -21.374 6.114 6.114 229 2HG2 ILE 29 3HG2 ILE 29 -21.747 4.974 4.974 230 3HG2 ILE 29 2HG2 ILE 29 -20.533 6.227 6.227 231 1HD1 ILE 29 1HD1 ILE 29 -21.648 4.407 4.407 232 2HD1 ILE 29 3HD1 ILE 29 -21.363 2.745 2.745 233 3HD1 ILE 29 2HD1 ILE 29 -22.540 3.085 3.085 234 H VAL 30 H VAL 30 -20.200 7.491 7.491 235 HA VAL 30 HA VAL 30 -17.625 8.913 8.913 236 HB VAL 30 HB VAL 30 -20.323 10.030 10.030 237 1HG1 VAL 30 3HG1 VAL 30 -17.583 11.215 11.215 238 2HG1 VAL 30 2HG1 VAL 30 -18.723 11.952 11.952 239 3HG1 VAL 30 1HG1 VAL 30 -19.142 11.803 11.803 240 1HG2 VAL 30 2HG2 VAL 30 -19.211 8.509 8.509 241 2HG2 VAL 30 1HG2 VAL 30 -19.324 10.179 10.179 242 3HG2 VAL 30 3HG2 VAL 30 -17.792 9.554 9.554 243 H GLY 31 H GLY 31 -18.011 10.836 10.836 244 1HA GLY 31 2HA GLY 31 -19.433 9.722 9.722 245 2HA GLY 31 1HA GLY 31 -18.320 11.090 11.090 246 H GLY 32 H GLY 32 -21.299 10.343 10.343 247 1HA GLY 32 2HA GLY 32 -22.827 12.462 12.462 248 2HA GLY 32 1HA GLY 32 -22.373 12.847 12.847 249 H GLN 33 H GLN 33 -22.666 10.672 10.672 250 HA GLN 33 HA GLN 33 -24.951 8.994 8.994 251 1HB GLN 33 2HB GLN 33 -25.595 11.564 11.564 252 2HB GLN 33 1HB GLN 33 -25.769 10.539 10.539 253 1HG GLN 33 2HG GLN 33 -27.208 8.997 8.997 254 2HG GLN 33 1HG GLN 33 -27.070 10.070 10.070 255 1HE2 GLN 33 2HE2 GLN 33 -29.818 10.895 10.895 256 2HE2 GLN 33 1HE2 GLN 33 -29.010 9.405 9.405 257 H CYS 34 H CYS 34 -23.965 10.485 10.485 258 HA CYS 34 HA CYS 34 -22.648 7.975 7.975 259 1HB CYS 34 2HB CYS 34 -25.243 8.987 8.987 260 2HB CYS 34 1HB CYS 34 -24.085 8.698 8.698 261 H LYS 35 H LYS 35 -21.771 8.475 8.475 262 HA LYS 35 HA LYS 35 -20.636 11.246 11.246 263 1HB LYS 35 2HB LYS 35 -19.199 8.963 8.963 264 2HB LYS 35 1HB LYS 35 -19.173 9.115 9.115 265 1HG LYS 35 2HG LYS 35 -18.679 11.668 11.668 266 2HG LYS 35 1HG LYS 35 -17.479 10.438 10.438 267 1HD LYS 35 2HD LYS 35 -17.511 10.019 10.019 268 2HD LYS 35 1HD LYS 35 -18.137 11.667 11.667 269 1HE LYS 35 2HE LYS 35 -15.822 11.348 11.348 270 2HE LYS 35 1HE LYS 35 -15.463 10.993 10.993 271 1HZ LYS 35 3HZ LYS 35 -16.575 13.129 13.129 272 2HZ LYS 35 2HZ LYS 35 -16.647 13.479 13.479 273 3HZ LYS 35 1HZ LYS 35 -15.143 13.303 13.303 274 H ARG 36 H ARG 36 -20.131 12.134 12.134 275 HA ARG 36 HA ARG 36 -22.322 11.759 11.759 276 1HB ARG 36 2HB ARG 36 -19.851 13.448 13.448 277 2HB ARG 36 1HB ARG 36 -20.674 13.285 13.285 278 1HG ARG 36 2HG ARG 36 -22.553 14.402 14.402 279 2HG ARG 36 1HG ARG 36 -22.364 13.859 13.859 280 1HD ARG 36 2HD ARG 36 -20.870 15.545 15.545 281 2HD ARG 36 1HD ARG 36 -20.285 15.687 15.687 282 HE ARG 36 HE ARG 36 -22.560 16.769 16.769 283 1HH1 ARG 36 1HH2 ARG 36 -24.272 17.109 17.109 284 2HH1 ARG 36 2HH2 ARG 36 -23.693 18.353 18.353 285 1HH2 ARG 36 2HH1 ARG 36 -20.434 18.200 18.200 286 2HH2 ARG 36 1HH1 ARG 36 -21.516 18.973 18.973 287 H VAL 37 H VAL 37 -19.390 10.042 10.042 288 HA VAL 37 HA VAL 37 -19.845 8.588 8.588 289 HB VAL 37 HB VAL 37 -18.489 10.576 10.576 290 1HG1 VAL 37 1HG1 VAL 37 -17.189 10.822 10.822 291 2HG1 VAL 37 3HG1 VAL 37 -16.302 9.356 9.356 292 3HG1 VAL 37 2HG1 VAL 37 -16.171 10.787 10.787 293 1HG2 VAL 37 2HG2 VAL 37 -17.610 7.736 7.736 294 2HG2 VAL 37 1HG2 VAL 37 -18.128 8.856 8.856 295 3HG2 VAL 37 3HG2 VAL 37 -16.496 8.965 8.965 296 H ASN 38 H ASN 38 -19.372 6.559 6.559 297 HA ASN 38 HA ASN 38 -17.438 5.719 5.719 298 1HB ASN 38 2HB ASN 38 -20.106 5.083 5.083 299 2HB ASN 38 1HB ASN 38 -19.465 3.736 3.736 300 1HD2 ASN 38 2HD2 ASN 38 -18.778 3.899 3.899 301 2HD2 ASN 38 1HD2 ASN 38 -19.753 5.043 5.043 302 H THR 39 H THR 39 -15.751 5.774 5.774 303 HA THR 39 HA THR 39 -15.954 4.429 4.429 304 HB THR 39 HB THR 39 -13.474 5.517 5.517 305 HG1 THR 39 HG1 THR 39 -14.834 7.204 7.204 306 1HG2 THR 39 2HG2 THR 39 -13.918 4.194 4.194 307 2HG2 THR 39 1HG2 THR 39 -13.646 5.897 5.897 308 3HG2 THR 39 3HG2 THR 39 -12.444 4.993 4.993 309 H PHE 40 H PHE 40 -15.723 2.326 2.326 310 HA PHE 40 HA PHE 40 -14.085 0.720 0.720 311 1HB PHE 40 2HB PHE 40 -16.005 -0.191 -0.191 312 2HB PHE 40 1HB PHE 40 -15.257 -1.213 -1.213 313 HD1 PHE 40 HD1 PHE 40 -15.517 0.321 0.321 314 HD2 PHE 40 HD2 PHE 40 -18.300 -0.146 -0.146 315 HE1 PHE 40 HE1 PHE 40 -17.394 0.775 0.775 316 HE2 PHE 40 HE2 PHE 40 -20.175 0.310 0.310 317 HZ PHE 40 HZ PHE 40 -19.724 0.774 0.774 318 H ILE 41 H ILE 41 -12.460 -0.802 -0.802 319 HA ILE 41 HA ILE 41 -11.714 -0.018 -0.018 320 HB ILE 41 HB ILE 41 -9.869 -0.177 -0.177 321 1HG1 ILE 41 2HG1 ILE 41 -10.200 2.103 2.103 322 2HG1 ILE 41 1HG1 ILE 41 -11.311 1.915 1.915 323 1HG2 ILE 41 1HG2 ILE 41 -9.345 -0.358 -0.358 324 2HG2 ILE 41 3HG2 ILE 41 -8.284 0.707 0.707 325 3HG2 ILE 41 2HG2 ILE 41 -8.409 -1.000 -1.000 326 1HD1 ILE 41 2HD1 ILE 41 -8.304 1.973 1.973 327 2HD1 ILE 41 1HD1 ILE 41 -9.317 3.411 3.411 328 3HD1 ILE 41 3HD1 ILE 41 -9.524 2.081 2.081 329 H ILE 42 H ILE 42 -11.423 -1.750 -1.750 330 HA ILE 42 HA ILE 42 -11.144 -4.430 -4.430 331 HB ILE 42 HB ILE 42 -13.183 -4.254 -4.254 332 1HG1 ILE 42 2HG1 ILE 42 -11.394 -5.787 -5.787 333 2HG1 ILE 42 1HG1 ILE 42 -11.550 -6.316 -6.316 334 1HG2 ILE 42 1HG2 ILE 42 -12.515 -2.398 -2.398 335 2HG2 ILE 42 3HG2 ILE 42 -11.443 -3.486 -3.486 336 3HG2 ILE 42 2HG2 ILE 42 -13.183 -3.747 -3.747 337 1HD1 ILE 42 1HD1 ILE 42 -14.043 -5.671 -5.671 338 2HD1 ILE 42 3HD1 ILE 42 -13.227 -7.202 -7.202 339 3HD1 ILE 42 2HD1 ILE 42 -13.800 -6.835 -6.835 340 H SER 43 H SER 43 -9.072 -4.974 -4.974 341 HA SER 43 HA SER 43 -7.509 -5.637 -5.637 342 1HB SER 43 2HB SER 43 -7.331 -3.220 -3.220 343 2HB SER 43 1HB SER 43 -6.789 -2.959 -2.959 344 HG SER 43 HG SER 43 -4.936 -4.121 -4.121 345 H SER 44 H SER 44 -5.418 -6.526 -6.526 346 HA SER 44 HA SER 44 -5.389 -7.618 -7.618 347 1HB SER 44 2HB SER 44 -2.988 -8.272 -8.272 348 2HB SER 44 1HB SER 44 -4.234 -8.864 -8.864 349 HG SER 44 HG SER 44 -2.700 -7.965 -7.965 350 H ALA 45 H ALA 45 -4.732 -6.703 -6.703 351 HA ALA 45 HA ALA 45 -4.046 -4.003 -4.003 352 1HB ALA 45 1HB ALA 45 -4.636 -5.981 -5.981 353 2HB ALA 45 3HB ALA 45 -2.894 -5.891 -5.891 354 3HB ALA 45 2HB ALA 45 -3.897 -4.464 -4.464 355 H THR 46 H THR 46 -1.950 -6.703 -6.703 356 HA THR 46 HA THR 46 0.493 -5.270 -5.270 357 HB THR 46 HB THR 46 0.443 -7.655 -7.655 358 HG1 THR 46 HG1 THR 46 2.433 -6.837 -6.837 359 1HG2 THR 46 1HG2 THR 46 -0.576 -7.523 -7.523 360 2HG2 THR 46 3HG2 THR 46 0.580 -8.817 -8.817 361 3HG2 THR 46 2HG2 THR 46 -0.899 -8.713 -8.713 362 H THR 47 H THR 47 -1.342 -5.746 -5.746 363 HA THR 47 HA THR 47 0.721 -4.827 -4.827 364 HB THR 47 HB THR 47 -1.360 -3.982 -3.982 365 HG1 THR 47 HG1 THR 47 -3.266 -4.963 -4.963 366 1HG2 THR 47 2HG2 THR 47 -0.020 -6.040 -6.040 367 2HG2 THR 47 1HG2 THR 47 -1.079 -6.927 -6.927 368 3HG2 THR 47 3HG2 THR 47 -1.727 -6.232 -6.232 369 H VAL 48 H VAL 48 -1.749 -3.251 -3.251 370 HA VAL 48 HA VAL 48 -1.132 -0.546 -0.546 371 HB VAL 48 HB VAL 48 -2.381 -1.497 -1.497 372 1HG1 VAL 48 1HG1 VAL 48 -1.583 1.052 1.052 373 2HG1 VAL 48 3HG1 VAL 48 -3.311 1.015 1.015 374 3HG1 VAL 48 2HG1 VAL 48 -2.736 0.679 0.679 375 1HG2 VAL 48 1HG2 VAL 48 -3.375 -1.422 -1.422 376 2HG2 VAL 48 3HG2 VAL 48 -3.964 -2.344 -2.344 377 3HG2 VAL 48 2HG2 VAL 48 -4.440 -0.660 -0.660 378 H LYS 49 H LYS 49 -0.015 -2.764 -2.764 379 HA LYS 49 HA LYS 49 1.505 -0.981 -0.981 380 1HB LYS 49 2HB LYS 49 1.050 -3.333 -3.333 381 2HB LYS 49 1HB LYS 49 2.099 -3.890 -3.890 382 1HG LYS 49 2HG LYS 49 3.853 -2.286 -2.286 383 2HG LYS 49 1HG LYS 49 2.819 -2.592 -2.592 384 1HD LYS 49 2HD LYS 49 3.117 -4.982 -4.982 385 2HD LYS 49 1HD LYS 49 3.973 -4.777 -4.777 386 1HE LYS 49 2HE LYS 49 5.641 -3.331 -3.331 387 2HE LYS 49 1HE LYS 49 4.904 -4.049 -4.049 388 1HZ LYS 49 1HZ LYS 49 5.359 -6.256 -6.256 389 2HZ LYS 49 3HZ LYS 49 6.281 -5.452 -5.452 390 3HZ LYS 49 2HZ LYS 49 6.745 -5.387 -5.387 391 H ALA 50 H ALA 50 2.089 -2.279 -2.279 392 HA ALA 50 HA ALA 50 4.933 -1.608 -1.608 393 1HB ALA 50 1HB ALA 50 3.043 -2.993 -2.993 394 2HB ALA 50 3HB ALA 50 4.110 -1.915 -1.915 395 3HB ALA 50 2HB ALA 50 4.791 -3.173 -3.173 396 H ILE 51 H ILE 51 1.890 -0.116 -0.116 397 HA ILE 51 HA ILE 51 3.101 1.981 1.981 398 HB ILE 51 HB ILE 51 0.682 1.223 1.223 399 1HG1 ILE 51 2HG1 ILE 51 1.606 3.289 3.289 400 2HG1 ILE 51 1HG1 ILE 51 -0.114 3.353 3.353 401 1HG2 ILE 51 2HG2 ILE 51 0.704 2.199 2.199 402 2HG2 ILE 51 1HG2 ILE 51 -0.470 3.105 3.105 403 3HG2 ILE 51 3HG2 ILE 51 -0.571 1.348 1.348 404 1HD1 ILE 51 1HD1 ILE 51 1.072 4.416 4.416 405 2HD1 ILE 51 3HD1 ILE 51 2.048 5.059 5.059 406 3HD1 ILE 51 2HD1 ILE 51 0.309 5.336 5.336 407 H CYS 52 H CYS 52 2.571 1.647 1.647 408 HA CYS 52 HA CYS 52 3.388 4.468 4.468 409 1HB CYS 52 2HB CYS 52 1.475 2.899 2.899 410 2HB CYS 52 1HB CYS 52 2.822 2.879 2.879 411 H THR 53 H THR 53 5.171 2.044 2.044 412 HA THR 53 HA THR 53 6.938 1.790 1.790 413 HB THR 53 HB THR 53 7.452 0.826 0.826 414 HG1 THR 53 HG1 THR 53 6.623 -1.171 -1.171 415 1HG2 THR 53 1HG2 THR 53 9.264 0.954 0.954 416 2HG2 THR 53 3HG2 THR 53 8.417 -0.447 -0.447 417 3HG2 THR 53 2HG2 THR 53 9.120 -0.518 -0.518 418 H GLY 54 H GLY 54 8.255 3.498 3.498 419 1HA GLY 54 2HA GLY 54 10.040 4.544 4.544 420 2HA GLY 54 1HA GLY 54 8.875 5.724 5.724 421 H VAL 55 H VAL 55 8.791 5.682 5.682 422 HA VAL 55 HA VAL 55 11.362 5.128 5.128 423 HB VAL 55 HB VAL 55 11.546 7.322 7.322 424 1HG1 VAL 55 1HG1 VAL 55 9.276 8.121 8.121 425 2HG1 VAL 55 3HG1 VAL 55 10.298 8.652 8.652 426 3HG1 VAL 55 2HG1 VAL 55 10.571 9.282 9.282 427 1HG2 VAL 55 3HG2 VAL 55 12.736 6.454 6.454 428 2HG2 VAL 55 2HG2 VAL 55 13.330 7.723 7.723 429 3HG2 VAL 55 1HG2 VAL 55 12.324 8.140 8.140 430 H ILE 56 H ILE 56 11.042 6.704 6.704 431 HA ILE 56 HA ILE 56 8.680 5.410 5.410 432 HB ILE 56 HB ILE 56 10.891 5.351 5.351 433 1HG1 ILE 56 2HG1 ILE 56 9.275 7.043 7.043 434 2HG1 ILE 56 1HG1 ILE 56 8.471 5.625 5.625 435 1HG2 ILE 56 3HG2 ILE 56 11.141 7.957 7.957 436 2HG2 ILE 56 2HG2 ILE 56 10.693 8.156 8.156 437 3HG2 ILE 56 1HG2 ILE 56 12.116 7.208 7.208 438 1HD1 ILE 56 1HD1 ILE 56 11.240 5.263 5.263 439 2HD1 ILE 56 3HD1 ILE 56 9.942 5.481 5.481 440 3HD1 ILE 56 2HD1 ILE 56 9.874 4.147 4.147 441 H ASN 57 H ASN 57 8.366 7.741 7.741 442 HA ASN 57 HA ASN 57 6.166 9.115 9.115 443 1HB ASN 57 2HB ASN 57 8.200 10.058 10.058 444 2HB ASN 57 1HB ASN 57 8.532 10.978 10.978 445 1HD2 ASN 57 2HD2 ASN 57 5.934 12.577 12.577 446 2HD2 ASN 57 1HD2 ASN 57 7.298 11.651 11.651 447 H MET 58 H MET 58 5.167 9.572 9.572 448 HA MET 58 HA MET 58 6.594 11.068 11.068 449 1HB MET 58 2HB MET 58 7.001 8.395 8.395 450 2HB MET 58 1HB MET 58 5.503 8.493 8.493 451 1HG MET 58 2HG MET 58 7.110 10.608 10.608 452 2HG MET 58 1HG MET 58 8.183 9.216 9.216 453 1HE MET 58 3HE MET 58 8.393 10.013 10.013 454 2HE MET 58 2HE MET 58 8.401 8.354 8.354 455 3HE MET 58 1HE MET 58 7.389 9.560 9.560 456 H ASN 59 H ASN 59 5.170 11.161 11.161 457 HA ASN 59 HA ASN 59 2.244 11.002 11.002 458 1HB ASN 59 2HB ASN 59 1.975 13.312 13.312 459 2HB ASN 59 1HB ASN 59 2.823 13.308 13.308 460 1HD2 ASN 59 2HD2 ASN 59 4.753 14.562 14.562 461 2HD2 ASN 59 1HD2 ASN 59 3.144 14.023 14.023 462 H VAL 60 H VAL 60 1.614 9.658 9.658 463 HA VAL 60 HA VAL 60 2.530 10.279 10.279 464 HB VAL 60 HB VAL 60 3.972 8.482 8.482 465 1HG1 VAL 60 2HG1 VAL 60 1.359 7.011 7.011 466 2HG1 VAL 60 1HG1 VAL 60 2.967 6.312 6.312 467 3HG1 VAL 60 3HG1 VAL 60 2.437 7.610 7.610 468 1HG2 VAL 60 1HG2 VAL 60 3.058 8.482 8.482 469 2HG2 VAL 60 3HG2 VAL 60 3.735 6.969 6.969 470 3HG2 VAL 60 2HG2 VAL 60 1.986 7.189 7.189 471 H LEU 61 H LEU 61 1.091 9.058 9.058 472 HA LEU 61 HA LEU 61 -1.616 8.492 8.492 473 1HB LEU 61 2HB LEU 61 -2.575 9.754 9.754 474 2HB LEU 61 1HB LEU 61 -1.806 10.763 10.763 475 HG LEU 61 HG LEU 61 0.004 9.792 9.792 476 1HD1 LEU 61 1HD1 LEU 61 -2.242 10.328 10.328 477 2HD1 LEU 61 3HD1 LEU 61 -1.945 12.001 12.001 478 3HD1 LEU 61 2HD1 LEU 61 -0.816 11.176 11.176 479 1HD2 LEU 61 3HD2 LEU 61 -0.571 12.514 12.514 480 2HD2 LEU 61 2HD2 LEU 61 0.688 11.398 11.398 481 3HD2 LEU 61 1HD2 LEU 61 0.779 12.137 12.137 482 H SER 62 H SER 62 -2.526 6.712 6.712 483 HA SER 62 HA SER 62 -1.213 4.949 4.949 484 1HB SER 62 2HB SER 62 -3.814 4.191 4.191 485 2HB SER 62 1HB SER 62 -2.774 3.698 3.698 486 HG SER 62 HG SER 62 -4.232 4.647 4.647 487 H THR 63 H THR 63 -0.730 5.836 5.836 488 HA THR 63 HA THR 63 -2.689 7.527 7.527 489 HB THR 63 HB THR 63 -0.798 7.417 7.417 490 HG1 THR 63 HG1 THR 63 0.415 5.765 5.765 491 1HG2 THR 63 3HG2 THR 63 -1.020 8.879 8.879 492 2HG2 THR 63 2HG2 THR 63 0.624 8.836 8.836 493 3HG2 THR 63 1HG2 THR 63 -0.687 9.484 9.484 494 H THR 64 H THR 64 -1.269 4.295 4.295 495 HA THR 64 HA THR 64 -2.310 3.637 3.637 496 HB THR 64 HB THR 64 -1.776 1.796 1.796 497 HG1 THR 64 HG1 THR 64 0.005 3.062 3.062 498 1HG2 THR 64 3HG2 THR 64 -3.173 0.822 0.822 499 2HG2 THR 64 2HG2 THR 64 -1.858 1.183 1.183 500 3HG2 THR 64 1HG2 THR 64 -1.610 0.031 0.031 501 H ARG 65 H ARG 65 -3.681 1.657 1.657 502 HA ARG 65 HA ARG 65 -6.218 2.855 2.855 503 1HB ARG 65 2HB ARG 65 -7.611 1.492 1.492 504 2HB ARG 65 1HB ARG 65 -6.504 2.530 2.530 505 1HG ARG 65 2HG ARG 65 -5.026 0.206 0.206 506 2HG ARG 65 1HG ARG 65 -6.657 -0.392 -0.392 507 1HD ARG 65 2HD ARG 65 -6.682 1.288 1.288 508 2HD ARG 65 1HD ARG 65 -4.929 1.311 1.311 509 HE ARG 65 HE ARG 65 -6.468 -1.194 -1.194 510 1HH1 ARG 65 1HH2 ARG 65 -3.452 -0.822 -0.822 511 2HH1 ARG 65 2HH2 ARG 65 -2.674 -1.147 -1.147 512 1HH2 ARG 65 2HH1 ARG 65 -5.595 -0.880 -0.880 513 2HH2 ARG 65 1HH1 ARG 65 -3.890 -1.178 -1.178 514 H PHE 66 H PHE 66 -6.303 2.002 2.002 515 HA PHE 66 HA PHE 66 -5.881 -0.942 -0.942 516 1HB PHE 66 2HB PHE 66 -6.062 1.380 1.380 517 2HB PHE 66 1HB PHE 66 -6.058 -0.302 -0.302 518 HD1 PHE 66 HD2 PHE 66 -4.068 2.283 2.283 519 HD2 PHE 66 HD1 PHE 66 -4.017 -1.607 -1.607 520 HE1 PHE 66 HE2 PHE 66 -1.605 2.217 2.217 521 HE2 PHE 66 HE1 PHE 66 -1.553 -1.658 -1.658 522 HZ PHE 66 HZ PHE 66 -0.346 0.249 0.249 523 H GLN 67 H GLN 67 -8.200 -0.214 -0.214 524 HA GLN 67 HA GLN 67 -10.595 -0.079 -0.079 525 1HB GLN 67 2HB GLN 67 -9.485 -2.732 -2.732 526 2HB GLN 67 1HB GLN 67 -11.233 -2.526 -2.526 527 1HG GLN 67 2HG GLN 67 -11.194 -3.052 -3.052 528 2HG GLN 67 1HG GLN 67 -10.743 -1.360 -1.360 529 1HE2 GLN 67 2HE2 GLN 67 -8.012 -4.281 -4.281 530 2HE2 GLN 67 1HE2 GLN 67 -9.558 -4.665 -4.665 531 H LEU 68 H LEU 68 -11.734 1.267 1.267 532 HA LEU 68 HA LEU 68 -11.938 0.352 0.352 533 1HB LEU 68 2HB LEU 68 -12.914 2.678 2.678 534 2HB LEU 68 1HB LEU 68 -11.203 2.584 2.584 535 HG LEU 68 HG LEU 68 -11.513 3.482 3.482 536 1HD1 LEU 68 1HD1 LEU 68 -14.454 2.906 2.906 537 2HD1 LEU 68 3HD1 LEU 68 -13.876 4.002 4.002 538 3HD1 LEU 68 2HD1 LEU 68 -13.411 2.304 2.304 539 1HD2 LEU 68 1HD2 LEU 68 -11.896 5.008 5.008 540 2HD2 LEU 68 3HD2 LEU 68 -12.464 5.613 5.613 541 3HD2 LEU 68 2HD2 LEU 68 -13.609 4.924 4.924 542 H ASN 69 H ASN 69 -13.952 0.463 0.463 543 HA ASN 69 HA ASN 69 -16.374 0.140 0.140 544 1HB ASN 69 2HB ASN 69 -15.433 -1.886 -1.886 545 2HB ASN 69 1HB ASN 69 -16.241 -1.012 -1.012 546 1HD2 ASN 69 2HD2 ASN 69 -18.474 -2.873 -2.873 547 2HD2 ASN 69 1HD2 ASN 69 -16.796 -2.711 -2.711 548 H THR 70 H THR 70 -17.169 2.277 2.277 549 HA THR 70 HA THR 70 -17.049 3.569 3.569 550 HB THR 70 HB THR 70 -18.015 4.774 4.774 551 HG1 THR 70 HG1 THR 70 -15.434 4.825 4.825 552 1HG2 THR 70 2HG2 THR 70 -18.478 5.813 5.813 553 2HG2 THR 70 1HG2 THR 70 -16.753 6.182 6.182 554 3HG2 THR 70 3HG2 THR 70 -17.797 6.844 6.844 555 H CYS 71 H CYS 71 -18.694 3.894 3.894 556 HA CYS 71 HA CYS 71 -21.481 3.554 3.554 557 1HB CYS 71 2HB CYS 71 -20.293 2.629 2.629 558 2HB CYS 71 1HB CYS 71 -22.028 2.843 2.843 559 H THR 72 H THR 72 -22.361 5.595 5.595 560 HA THR 72 HA THR 72 -21.145 7.579 7.579 561 HB THR 72 HB THR 72 -22.911 8.244 8.244 562 HG1 THR 72 HG1 THR 72 -20.119 7.746 7.746 563 1HG2 THR 72 1HG2 THR 72 -20.812 9.694 9.694 564 2HG2 THR 72 3HG2 THR 72 -21.330 10.265 10.265 565 3HG2 THR 72 2HG2 THR 72 -22.496 10.152 10.152 566 H ARG 73 H ARG 73 -22.390 8.888 8.888 567 HA ARG 73 HA ARG 73 -24.903 7.847 7.847 568 1HB ARG 73 2HB ARG 73 -23.024 9.408 9.408 569 2HB ARG 73 1HB ARG 73 -24.135 10.670 10.670 570 1HG ARG 73 2HG ARG 73 -25.955 9.099 9.099 571 2HG ARG 73 1HG ARG 73 -24.571 8.479 8.479 572 1HD ARG 73 2HD ARG 73 -24.304 10.409 10.409 573 2HD ARG 73 1HD ARG 73 -24.765 11.432 11.432 574 HE ARG 73 HE ARG 73 -26.843 9.881 9.881 575 1HH1 ARG 73 2HH1 ARG 73 -28.439 11.273 11.273 576 2HH1 ARG 73 1HH1 ARG 73 -28.521 12.909 12.909 577 1HH2 ARG 73 1HH2 ARG 73 -25.667 12.659 12.659 578 2HH2 ARG 73 2HH2 ARG 73 -26.952 13.694 13.694 579 H THR 74 H THR 74 -26.542 7.894 7.894 580 HA THR 74 HA THR 74 -27.237 10.561 10.561 581 HB THR 74 HB THR 74 -28.361 9.089 9.089 582 HG1 THR 74 HG1 THR 74 -27.931 7.146 7.146 583 1HG2 THR 74 3HG2 THR 74 -26.152 10.477 10.477 584 2HG2 THR 74 2HG2 THR 74 -25.362 8.902 8.902 585 3HG2 THR 74 1HG2 THR 74 -26.440 9.293 9.293 586 H SER 75 H SER 75 -29.627 8.161 8.161 587 HA SER 75 HA SER 75 -31.099 8.462 8.462 588 1HB SER 75 2HB SER 75 -33.058 9.555 9.555 589 2HB SER 75 1HB SER 75 -31.662 10.598 10.598 590 HG SER 75 HG SER 75 -31.979 10.872 10.872 591 H ILE 76 H ILE 76 -31.348 6.220 6.220 592 HA ILE 76 HA ILE 76 -33.369 5.061 5.061 593 HB ILE 76 HB ILE 76 -31.889 3.113 3.113 594 1HG1 ILE 76 2HG1 ILE 76 -29.367 4.502 4.502 595 2HG1 ILE 76 1HG1 ILE 76 -30.127 4.429 4.429 596 1HG2 ILE 76 3HG2 ILE 76 -32.337 5.223 5.223 597 2HG2 ILE 76 2HG2 ILE 76 -30.677 5.667 5.667 598 3HG2 ILE 76 1HG2 ILE 76 -31.006 4.165 4.165 599 1HD1 ILE 76 3HD1 ILE 76 -30.560 1.934 1.934 600 2HD1 ILE 76 2HD1 ILE 76 -29.356 2.149 2.149 601 3HD1 ILE 76 1HD1 ILE 76 -28.915 2.411 2.411 602 H THR 77 H THR 77 -34.472 3.433 3.433 603 HA THR 77 HA THR 77 -35.235 2.110 2.110 604 HB THR 77 HB THR 77 -33.695 0.531 0.531 605 HG1 THR 77 HG1 THR 77 -31.872 1.220 1.220 606 1HG2 THR 77 3HG2 THR 77 -33.996 0.555 0.555 607 2HG2 THR 77 2HG2 THR 77 -32.403 1.305 1.305 608 3HG2 THR 77 1HG2 THR 77 -32.584 -0.308 -0.308 609 HA PRO 78 HA PRO 78 -35.134 4.546 4.546 610 1HB PRO 78 2HB PRO 78 -35.723 2.728 2.728 611 2HB PRO 78 1HB PRO 78 -36.918 3.359 3.359 612 1HG PRO 78 2HG PRO 78 -35.638 0.673 0.673 613 2HG PRO 78 1HG PRO 78 -37.200 1.153 1.153 614 1HD PRO 78 2HD PRO 78 -34.828 0.660 0.660 615 2HD PRO 78 1HD PRO 78 -36.306 1.426 1.426 616 H ARG 79 H ARG 79 -33.853 1.463 1.463 617 HA ARG 79 HA ARG 79 -31.456 2.967 2.967 618 1HB ARG 79 2HB ARG 79 -33.213 0.934 0.934 619 2HB ARG 79 1HB ARG 79 -31.487 0.712 0.712 620 1HG ARG 79 2HG ARG 79 -31.826 2.199 2.199 621 2HG ARG 79 1HG ARG 79 -31.721 3.400 3.400 622 1HD ARG 79 2HD ARG 79 -34.057 3.636 3.636 623 2HD ARG 79 1HD ARG 79 -34.353 2.092 2.092 624 HE ARG 79 HE ARG 79 -33.330 3.303 3.303 625 1HH1 ARG 79 1HH2 ARG 79 -33.707 5.630 5.630 626 2HH1 ARG 79 2HH2 ARG 79 -34.897 6.565 6.565 627 1HH2 ARG 79 2HH1 ARG 79 -35.471 4.150 4.150 628 2HH2 ARG 79 1HH1 ARG 79 -35.895 5.727 5.727 629 HA PRO 80 HA PRO 80 -29.773 1.778 1.778 630 1HB PRO 80 2HB PRO 80 -27.057 1.919 1.919 631 2HB PRO 80 1HB PRO 80 -27.880 0.480 0.480 632 1HG PRO 80 2HG PRO 80 -26.766 0.979 0.979 633 2HG PRO 80 1HG PRO 80 -26.977 -0.554 -0.554 634 1HD PRO 80 2HD PRO 80 -28.656 0.415 0.415 635 2HD PRO 80 1HD PRO 80 -29.052 -0.897 -0.897 636 H CYS 81 H CYS 81 -27.873 2.688 2.688 637 HA CYS 81 HA CYS 81 -28.754 5.509 5.509 638 1HB CYS 81 2HB CYS 81 -26.009 4.435 4.435 639 2HB CYS 81 1HB CYS 81 -26.221 5.783 5.783 640 HA PRO 82 HA PRO 82 -29.566 5.153 5.153 641 1HB PRO 82 2HB PRO 82 -29.219 7.735 7.735 642 2HB PRO 82 1HB PRO 82 -30.634 7.198 7.198 643 1HG PRO 82 2HG PRO 82 -28.281 8.795 8.795 644 2HG PRO 82 1HG PRO 82 -29.956 8.829 8.829 645 1HD PRO 82 2HD PRO 82 -27.832 7.545 7.545 646 2HD PRO 82 1HD PRO 82 -29.560 7.223 7.223 647 H TYR 83 H TYR 83 -28.091 4.118 4.118 648 HA TYR 83 HA TYR 83 -25.710 5.645 5.645 649 1HB TYR 83 2HB TYR 83 -25.594 3.096 3.096 650 2HB TYR 83 1HB TYR 83 -24.426 3.344 3.344 651 HD1 TYR 83 HD2 TYR 83 -25.850 4.967 4.967 652 HD2 TYR 83 HD1 TYR 83 -22.544 4.688 4.688 653 HE1 TYR 83 HE2 TYR 83 -24.509 6.442 6.442 654 HE2 TYR 83 HE1 TYR 83 -21.205 6.154 6.154 655 HH TYR 83 HH TYR 83 -21.331 6.672 6.672 656 H SER 84 H SER 84 -25.182 5.288 5.288 657 HA SER 84 HA SER 84 -26.644 3.111 3.111 658 1HB SER 84 2HB SER 84 -26.952 5.602 5.602 659 2HB SER 84 1HB SER 84 -25.282 5.522 5.522 660 HG SER 84 HG SER 84 -27.569 4.197 4.197 661 H SER 85 H SER 85 -25.281 1.890 1.890 662 HA SER 85 HA SER 85 -22.416 1.882 1.882 663 1HB SER 85 2HB SER 85 -23.982 -0.208 -0.208 664 2HB SER 85 1HB SER 85 -23.699 -0.374 -0.374 665 HG SER 85 HG SER 85 -21.466 -0.395 -0.395 666 H ARG 86 H ARG 86 -20.766 1.477 1.477 667 HA ARG 86 HA ARG 86 -21.289 1.552 1.552 668 1HB ARG 86 2HB ARG 86 -21.678 3.957 3.957 669 2HB ARG 86 1HB ARG 86 -20.000 4.022 4.022 670 1HG ARG 86 2HG ARG 86 -19.145 3.770 3.770 671 2HG ARG 86 1HG ARG 86 -20.634 3.046 3.046 672 1HD ARG 86 2HD ARG 86 -21.767 5.274 5.274 673 2HD ARG 86 1HD ARG 86 -20.177 5.952 5.952 674 HE ARG 86 HE ARG 86 -19.812 6.001 6.001 675 1HH1 ARG 86 1HH2 ARG 86 -22.889 4.949 4.949 676 2HH1 ARG 86 2HH2 ARG 86 -22.848 3.857 3.857 677 1HH2 ARG 86 2HH1 ARG 86 -19.402 4.002 4.002 678 2HH2 ARG 86 1HH1 ARG 86 -20.873 3.323 3.323 679 H THR 87 H THR 87 -19.254 1.436 1.436 680 HA THR 87 HA THR 87 -16.814 0.841 0.841 681 HB THR 87 HB THR 87 -16.407 -1.073 -1.073 682 HG1 THR 87 HG1 THR 87 -19.201 -0.746 -0.746 683 1HG2 THR 87 3HG2 THR 87 -18.308 -0.978 -0.978 684 2HG2 THR 87 2HG2 THR 87 -18.435 -2.398 -2.398 685 3HG2 THR 87 1HG2 THR 87 -16.903 -2.014 -2.014 686 H GLU 88 H GLU 88 -14.830 1.336 1.336 687 HA GLU 88 HA GLU 88 -14.738 2.068 2.068 688 1HB GLU 88 2HB GLU 88 -15.638 4.077 4.077 689 2HB GLU 88 1HB GLU 88 -14.040 4.547 4.547 690 1HG GLU 88 2HG GLU 88 -14.910 4.009 4.009 691 2HG GLU 88 1HG GLU 88 -16.518 3.993 3.993 692 H THR 89 H THR 89 -12.626 3.644 3.644 693 HA THR 89 HA THR 89 -10.359 2.035 2.035 694 HB THR 89 HB THR 89 -10.473 4.923 4.923 695 HG1 THR 89 HG1 THR 89 -10.134 2.475 2.475 696 1HG2 THR 89 3HG2 THR 89 -8.284 3.413 3.413 697 2HG2 THR 89 2HG2 THR 89 -8.190 3.342 3.342 698 3HG2 THR 89 1HG2 THR 89 -8.227 4.902 4.902 699 H ASN 90 H ASN 90 -8.868 2.380 2.380 700 HA ASN 90 HA ASN 90 -9.818 4.351 4.351 701 1HB ASN 90 2HB ASN 90 -9.652 1.895 1.895 702 2HB ASN 90 1HB ASN 90 -7.907 2.086 2.086 703 1HD2 ASN 90 2HD2 ASN 90 -9.552 4.580 4.580 704 2HD2 ASN 90 1HD2 ASN 90 -10.150 4.607 4.607 705 H TYR 91 H TYR 91 -8.825 6.158 6.158 706 HA TYR 91 HA TYR 91 -5.851 6.233 6.233 707 1HB TYR 91 2HB TYR 91 -6.159 8.508 8.508 708 2HB TYR 91 1HB TYR 91 -6.389 7.056 7.056 709 HD1 TYR 91 HD1 TYR 91 -8.689 6.268 6.268 710 HD2 TYR 91 HD2 TYR 91 -7.973 10.010 10.010 711 HE1 TYR 91 HE1 TYR 91 -10.978 7.009 7.009 712 HE2 TYR 91 HE2 TYR 91 -10.268 10.755 10.755 713 HH TYR 91 HH TYR 91 -12.046 9.632 9.632 714 H ILE 92 H ILE 92 -5.440 6.745 6.745 715 HA ILE 92 HA ILE 92 -6.911 9.084 9.084 716 HB ILE 92 HB ILE 92 -6.939 7.798 7.798 717 1HG1 ILE 92 2HG1 ILE 92 -6.319 5.515 5.515 718 2HG1 ILE 92 1HG1 ILE 92 -5.288 6.074 6.074 719 1HG2 ILE 92 3HG2 ILE 92 -8.871 8.130 8.130 720 2HG2 ILE 92 2HG2 ILE 92 -8.543 6.486 6.486 721 3HG2 ILE 92 1HG2 ILE 92 -9.029 6.779 6.779 722 1HD1 ILE 92 3HD1 ILE 92 -7.403 5.597 5.597 723 2HD1 ILE 92 2HD1 ILE 92 -7.878 4.567 4.567 724 3HD1 ILE 92 1HD1 ILE 92 -6.368 4.259 4.259 725 H CYS 93 H CYS 93 -5.902 9.527 9.527 726 HA CYS 93 HA CYS 93 -2.933 9.695 9.695 727 1HB CYS 93 2HB CYS 93 -4.218 11.850 11.850 728 2HB CYS 93 1HB CYS 93 -4.716 11.629 11.629 729 H VAL 94 H VAL 94 -2.018 8.243 8.243 730 HA VAL 94 HA VAL 94 -3.152 7.876 7.876 731 HB VAL 94 HB VAL 94 -0.931 6.106 6.106 732 1HG1 VAL 94 3HG1 VAL 94 -3.386 6.020 6.020 733 2HG1 VAL 94 2HG1 VAL 94 -2.790 4.495 4.495 734 3HG1 VAL 94 1HG1 VAL 94 -1.747 5.481 5.481 735 1HG2 VAL 94 3HG2 VAL 94 -2.716 6.377 6.377 736 2HG2 VAL 94 2HG2 VAL 94 -2.090 4.797 4.797 737 3HG2 VAL 94 1HG2 VAL 94 -3.668 5.313 5.313 738 H LYS 95 H LYS 95 -1.337 7.432 7.432 739 HA LYS 95 HA LYS 95 1.006 9.147 9.147 740 1HB LYS 95 2HB LYS 95 -0.898 9.319 9.319 741 2HB LYS 95 1HB LYS 95 0.796 9.741 9.741 742 1HG LYS 95 2HG LYS 95 0.481 11.150 11.150 743 2HG LYS 95 1HG LYS 95 -1.230 11.058 11.058 744 1HD LYS 95 2HD LYS 95 -0.964 12.311 12.311 745 2HD LYS 95 1HD LYS 95 0.726 11.843 11.843 746 1HE LYS 95 2HE LYS 95 1.255 13.846 13.846 747 2HE LYS 95 1HE LYS 95 0.691 13.200 13.200 748 1HZ LYS 95 2HZ LYS 95 -1.292 14.275 14.275 749 2HZ LYS 95 1HZ LYS 95 -0.328 15.372 15.372 750 3HZ LYS 95 3HZ LYS 95 -1.302 14.262 14.262 751 H CYS 96 H CYS 96 3.006 8.304 8.304 752 HA CYS 96 HA CYS 96 2.757 5.564 5.564 753 1HB CYS 96 2HB CYS 96 5.289 6.570 6.570 754 2HB CYS 96 1HB CYS 96 4.676 4.924 4.924 755 H GLU 97 H GLU 97 3.312 5.214 5.214 756 HA GLU 97 HA GLU 97 5.705 6.503 6.503 757 1HB GLU 97 2HB GLU 97 3.898 7.753 7.753 758 2HB GLU 97 1HB GLU 97 2.985 6.281 6.281 759 1HG GLU 97 2HG GLU 97 4.515 5.564 5.564 760 2HG GLU 97 1HG GLU 97 5.757 6.693 6.693 761 H ASN 98 H ASN 98 6.844 4.851 4.851 762 HA ASN 98 HA ASN 98 7.460 2.581 2.581 763 1HB ASN 98 2HB ASN 98 4.477 2.062 2.062 764 2HB ASN 98 1HB ASN 98 5.787 1.183 1.183 765 1HD2 ASN 98 2HD2 ASN 98 6.437 4.228 4.228 766 2HD2 ASN 98 1HD2 ASN 98 7.341 3.376 3.376 767 H GLN 99 H GLN 99 6.882 3.574 3.574 768 HA GLN 99 HA GLN 99 6.512 3.017 3.017 769 1HB GLN 99 2HB GLN 99 7.540 0.853 0.853 770 2HB GLN 99 1HB GLN 99 8.577 1.821 1.821 771 1HG GLN 99 2HG GLN 99 8.055 0.453 0.453 772 2HG GLN 99 1HG GLN 99 6.800 -0.408 -0.408 773 1HE2 GLN 99 2HE2 GLN 99 10.660 -1.577 -1.577 774 2HE2 GLN 99 1HE2 GLN 99 10.193 -0.314 -0.314 775 H TYR 100 H TYR 100 4.245 2.269 2.269 776 HA TYR 100 HA TYR 100 2.770 0.678 0.678 777 1HB TYR 100 2HB TYR 100 2.100 -0.899 -0.899 778 2HB TYR 100 1HB TYR 100 3.277 -0.248 -0.248 779 HD1 TYR 100 HD2 TYR 100 -0.272 0.453 0.453 780 HD2 TYR 100 HD1 TYR 100 2.514 0.375 0.375 781 HE1 TYR 100 HE2 TYR 100 -2.083 1.132 1.132 782 HE2 TYR 100 HE1 TYR 100 0.698 1.043 1.043 783 HH TYR 100 HH TYR 100 -2.152 2.350 2.350 784 HA PRO 101 HA PRO 101 0.396 4.380 4.380 785 1HB PRO 101 2HB PRO 101 -2.123 3.374 3.374 786 2HB PRO 101 1HB PRO 101 -0.862 3.631 3.631 787 1HG PRO 101 2HG PRO 101 -1.699 1.068 1.068 788 2HG PRO 101 1HG PRO 101 -1.155 1.335 1.335 789 1HD PRO 101 2HD PRO 101 0.493 0.282 0.282 790 2HD PRO 101 1HD PRO 101 1.101 1.269 1.269 791 H VAL 102 H VAL 102 0.686 4.867 4.867 792 HA VAL 102 HA VAL 102 -1.066 3.700 3.700 793 HB VAL 102 HB VAL 102 1.183 5.730 5.730 794 1HG1 VAL 102 2HG1 VAL 102 -0.545 4.786 4.786 795 2HG1 VAL 102 1HG1 VAL 102 1.021 5.570 5.570 796 3HG1 VAL 102 3HG1 VAL 102 -0.311 6.448 6.448 797 1HG2 VAL 102 3HG2 VAL 102 1.367 3.070 3.070 798 2HG2 VAL 102 2HG2 VAL 102 2.496 4.020 4.020 799 3HG2 VAL 102 1HG2 VAL 102 1.141 3.209 3.209 800 H HIS 103 H HIS 103 -1.002 6.522 6.522 801 HA HIS 103 HA HIS 103 -3.359 7.577 7.577 802 1HB HIS 103 2HB HIS 103 -1.920 9.821 9.821 803 2HB HIS 103 1HB HIS 103 -2.215 9.435 9.435 804 HD1 HIS 103 HD1 HIS 103 -0.043 9.471 9.471 805 HD2 HIS 103 HD2 HIS 103 0.476 7.922 7.922 806 HE1 HIS 103 HE1 HIS 103 2.397 8.775 8.775 807 H PHE 104 H PHE 104 -4.938 8.530 8.530 808 HA PHE 104 HA PHE 104 -4.276 8.142 8.142 809 1HB PHE 104 2HB PHE 104 -6.550 7.205 7.205 810 2HB PHE 104 1HB PHE 104 -7.135 8.555 8.555 811 HD1 PHE 104 HD2 PHE 104 -5.007 8.253 8.253 812 HD2 PHE 104 HD1 PHE 104 -7.606 5.428 5.428 813 HE1 PHE 104 HE2 PHE 104 -4.873 6.825 6.825 814 HE2 PHE 104 HE1 PHE 104 -7.495 3.976 3.976 815 HZ PHE 104 HZ PHE 104 -6.137 4.676 4.676 816 H ALA 105 H ALA 105 -4.140 9.901 9.901 817 HA ALA 105 HA ALA 105 -4.570 12.560 12.560 818 1HB ALA 105 3HB ALA 105 -3.491 11.465 11.465 819 2HB ALA 105 2HB ALA 105 -4.025 13.144 13.144 820 3HB ALA 105 1HB ALA 105 -2.755 12.600 12.600 821 H GLY 106 H GLY 106 -6.276 10.454 10.454 822 1HA GLY 106 2HA GLY 106 -8.822 10.984 10.984 823 2HA GLY 106 1HA GLY 106 -8.337 12.586 12.586 824 H ILE 107 H ILE 107 -9.092 12.731 12.731 825 HA ILE 107 HA ILE 107 -9.333 10.523 10.523 826 HB ILE 107 HB ILE 107 -9.881 12.301 12.301 827 1HG1 ILE 107 2HG1 ILE 107 -9.555 14.280 14.280 828 2HG1 ILE 107 1HG1 ILE 107 -8.213 13.935 13.935 829 1HG2 ILE 107 3HG2 ILE 107 -11.381 11.393 11.393 830 2HG2 ILE 107 2HG2 ILE 107 -11.300 13.084 13.084 831 3HG2 ILE 107 1HG2 ILE 107 -11.962 12.656 12.656 832 1HD1 ILE 107 1HD1 ILE 107 -10.970 14.718 14.718 833 2HD1 ILE 107 3HD1 ILE 107 -9.686 15.891 15.891 834 3HD1 ILE 107 2HD1 ILE 107 -9.480 14.643 14.643 835 H GLY 108 H GLY 108 -8.420 11.220 11.220 836 1HA GLY 108 2HA GLY 108 -5.635 10.543 10.543 837 2HA GLY 108 1HA GLY 108 -6.550 10.987 10.987 838 H ARG 109 H ARG 109 -7.307 13.588 13.588 839 HA ARG 109 HA ARG 109 -5.095 15.140 15.140 840 1HB ARG 109 2HB ARG 109 -7.749 15.763 15.763 841 2HB ARG 109 1HB ARG 109 -6.547 17.053 17.053 842 1HG ARG 109 2HG ARG 109 -6.304 16.700 16.700 843 2HG ARG 109 1HG ARG 109 -7.460 15.370 15.370 844 1HD ARG 109 2HD ARG 109 -8.129 18.197 18.197 845 2HD ARG 109 1HD ARG 109 -8.436 17.577 17.577 846 HE ARG 109 HE ARG 109 -9.781 15.742 15.742 847 1HH1 ARG 109 2HH1 ARG 109 -9.202 17.869 17.869 848 2HH1 ARG 109 1HH1 ARG 109 -10.798 18.525 18.525 849 1HH2 ARG 109 1HH2 ARG 109 -11.949 17.099 17.099 850 2HH2 ARG 109 2HH2 ARG 109 -12.352 18.091 18.091 851 H CYS 110 H CYS 110 -3.233 15.406 15.406 852 HA CYS 110 HA CYS 110 -3.299 16.217 16.217 853 1HB CYS 110 2HB CYS 110 -2.473 13.637 13.637 854 2HB CYS 110 1HB CYS 110 -1.046 14.481 14.481 855 HA PRO 111 HA PRO 111 -0.007 18.907 18.907 856 1HB PRO 111 2HB PRO 111 1.666 19.023 19.023 857 2HB PRO 111 1HB PRO 111 0.092 19.834 19.834 858 1HG PRO 111 2HG PRO 111 0.873 17.366 17.366 859 2HG PRO 111 1HG PRO 111 -0.397 18.544 18.544 860 1HD PRO 111 1HD PRO 111 -0.786 16.010 16.010 861 2HD PRO 111 2HD PRO 111 -1.974 17.329 17.329 Start of MODEL 12 1 HN PCA 1 HN PCA 1 -4.041 3.995 3.995 2 HA PCA 1 HA PCA 1 -2.555 5.060 5.060 3 1HB PCA 1 1HB PCA 1 -3.682 5.724 5.724 4 2HB PCA 1 2HB PCA 1 -3.943 4.023 4.023 5 1HG PCA 1 1HG PCA 1 -5.852 5.901 5.901 6 2HG PCA 1 2HG PCA 1 -6.104 4.184 4.184 7 H ASN 2 H ASN 2 -4.312 2.028 2.028 8 HA ASN 2 HA ASN 2 -1.795 0.592 0.592 9 1HB ASN 2 2HB ASN 2 -3.267 0.410 0.410 10 2HB ASN 2 1HB ASN 2 -4.609 -0.080 -0.080 11 1HD2 ASN 2 2HD2 ASN 2 -1.557 -2.828 -2.828 12 2HD2 ASN 2 1HD2 ASN 2 -1.164 -1.182 -1.182 13 H TRP 3 H TRP 3 -1.599 -1.492 -1.492 14 HA TRP 3 HA TRP 3 -2.387 -1.483 -1.483 15 1HB TRP 3 2HB TRP 3 -0.532 -2.866 -2.866 16 2HB TRP 3 1HB TRP 3 -1.547 -4.104 -4.104 17 HD1 TRP 3 HD1 TRP 3 1.564 -2.670 -2.670 18 HE1 TRP 3 HE1 TRP 3 2.344 -2.752 -2.752 19 HE3 TRP 3 HE3 TRP 3 -2.932 -3.355 -3.355 20 HZ2 TRP 3 HZ2 TRP 3 1.246 -3.075 -3.075 21 HZ3 TRP 3 HZ3 TRP 3 -3.013 -3.570 -3.570 22 HH2 TRP 3 HH2 TRP 3 -0.926 -3.436 -3.436 23 H ALA 4 H ALA 4 -3.722 -3.038 -3.038 24 HA ALA 4 HA ALA 4 -5.365 -5.001 -5.001 25 1HB ALA 4 1HB ALA 4 -5.488 -3.871 -3.871 26 2HB ALA 4 3HB ALA 4 -6.492 -5.202 -5.202 27 3HB ALA 4 2HB ALA 4 -4.740 -5.386 -5.386 28 H THR 5 H THR 5 -6.320 -2.079 -2.079 29 HA THR 5 HA THR 5 -9.018 -2.015 -2.015 30 HB THR 5 HB THR 5 -7.472 0.467 0.467 31 HG1 THR 5 HG1 THR 5 -8.499 -1.517 -1.517 32 1HG2 THR 5 3HG2 THR 5 -10.307 -0.525 -0.525 33 2HG2 THR 5 2HG2 THR 5 -9.691 0.900 0.900 34 3HG2 THR 5 1HG2 THR 5 -9.748 0.870 0.870 35 H PHE 6 H PHE 6 -5.968 -0.869 -0.869 36 HA PHE 6 HA PHE 6 -7.151 0.714 0.714 37 1HB PHE 6 2HB PHE 6 -4.922 1.221 1.221 38 2HB PHE 6 1HB PHE 6 -4.352 -0.302 -0.302 39 HD1 PHE 6 HD2 PHE 6 -4.486 -0.677 -0.677 40 HD2 PHE 6 HD1 PHE 6 -5.123 3.210 3.210 41 HE1 PHE 6 HE2 PHE 6 -4.106 0.377 0.377 42 HE2 PHE 6 HE1 PHE 6 -4.743 4.271 4.271 43 HZ PHE 6 HZ PHE 6 -4.237 2.841 2.841 44 H GLN 7 H GLN 7 -6.273 -2.624 -2.624 45 HA GLN 7 HA GLN 7 -5.964 -3.466 -3.466 46 1HB GLN 7 2HB GLN 7 -6.828 -4.879 -4.879 47 2HB GLN 7 1HB GLN 7 -7.111 -5.664 -5.664 48 1HG GLN 7 2HG GLN 7 -4.428 -4.571 -4.571 49 2HG GLN 7 1HG GLN 7 -4.707 -5.631 -5.631 50 1HE2 GLN 7 2HE2 GLN 7 -5.011 -7.262 -7.262 51 2HE2 GLN 7 1HE2 GLN 7 -5.378 -5.619 -5.619 52 H GLN 8 H GLN 8 -8.750 -2.791 -2.791 53 HA GLN 8 HA GLN 8 -10.702 -3.580 -3.580 54 1HB GLN 8 2HB GLN 8 -10.791 -2.344 -2.344 55 2HB GLN 8 1HB GLN 8 -12.131 -1.968 -1.968 56 1HG GLN 8 2HG GLN 8 -12.701 -3.958 -3.958 57 2HG GLN 8 1HG GLN 8 -12.430 -4.422 -4.422 58 1HE2 GLN 8 2HE2 GLN 8 -9.328 -5.276 -5.276 59 2HE2 GLN 8 1HE2 GLN 8 -10.114 -3.777 -3.777 60 H LYS 9 H LYS 9 -9.064 -0.645 -0.645 61 HA LYS 9 HA LYS 9 -10.451 1.406 1.406 62 1HB LYS 9 2HB LYS 9 -8.474 1.799 1.799 63 2HB LYS 9 1HB LYS 9 -7.418 1.182 1.182 64 1HG LYS 9 2HG LYS 9 -7.321 3.488 3.488 65 2HG LYS 9 1HG LYS 9 -8.563 2.995 2.995 66 1HD LYS 9 2HD LYS 9 -10.116 3.384 3.384 67 2HD LYS 9 1HD LYS 9 -8.834 4.548 4.548 68 1HE LYS 9 2HE LYS 9 -9.157 5.314 5.314 69 2HE LYS 9 1HE LYS 9 -10.684 4.436 4.436 70 1HZ LYS 9 2HZ LYS 9 -10.980 5.773 5.773 71 2HZ LYS 9 1HZ LYS 9 -9.841 6.823 6.823 72 3HZ LYS 9 3HZ LYS 9 -11.305 6.518 6.518 73 H HIS 10 H HIS 10 -7.730 -0.332 -0.332 74 HA HIS 10 HA HIS 10 -8.954 0.503 0.503 75 1HB HIS 10 2HB HIS 10 -6.175 0.261 0.261 76 2HB HIS 10 1HB HIS 10 -6.477 -0.662 -0.662 77 HD1 HIS 10 HD1 HIS 10 -5.567 0.859 0.859 78 HD2 HIS 10 HD2 HIS 10 -8.129 2.858 2.858 79 HE1 HIS 10 HE1 HIS 10 -5.984 3.139 3.139 80 H ILE 11 H ILE 11 -8.986 -2.236 -2.236 81 HA ILE 11 HA ILE 11 -9.479 -3.847 -3.847 82 HB ILE 11 HB ILE 11 -7.837 -4.922 -4.922 83 1HG1 ILE 11 2HG1 ILE 11 -6.122 -4.845 -4.845 84 2HG1 ILE 11 1HG1 ILE 11 -7.109 -3.465 -3.465 85 1HG2 ILE 11 1HG2 ILE 11 -8.427 -5.954 -5.954 86 2HG2 ILE 11 3HG2 ILE 11 -7.363 -6.726 -6.726 87 3HG2 ILE 11 2HG2 ILE 11 -9.088 -6.604 -6.604 88 1HD1 ILE 11 1HD1 ILE 11 -6.804 -2.739 -2.739 89 2HD1 ILE 11 3HD1 ILE 11 -5.447 -3.863 -3.863 90 3HD1 ILE 11 2HD1 ILE 11 -5.470 -2.490 -2.490 91 H ILE 12 H ILE 12 -11.759 -3.429 -3.429 92 HA ILE 12 HA ILE 12 -12.666 -5.423 -5.423 93 HB ILE 12 HB ILE 12 -14.376 -3.448 -3.448 94 1HG1 ILE 12 2HG1 ILE 12 -13.078 -3.182 -3.182 95 2HG1 ILE 12 1HG1 ILE 12 -12.782 -2.168 -2.168 96 1HG2 ILE 12 3HG2 ILE 12 -14.926 -5.644 -5.644 97 2HG2 ILE 12 2HG2 ILE 12 -15.470 -4.143 -4.143 98 3HG2 ILE 12 1HG2 ILE 12 -16.065 -4.600 -4.600 99 1HD1 ILE 12 1HD1 ILE 12 -15.474 -1.878 -1.878 100 2HD1 ILE 12 3HD1 ILE 12 -15.037 -2.117 -2.117 101 3HD1 ILE 12 2HD1 ILE 12 -14.311 -0.801 -0.801 102 H ASN 13 H ASN 13 -11.564 -6.813 -6.813 103 HA ASN 13 HA ASN 13 -12.755 -7.112 -7.112 104 1HB ASN 13 2HB ASN 13 -10.319 -7.642 -7.642 105 2HB ASN 13 1HB ASN 13 -11.006 -9.231 -9.231 106 1HD2 ASN 13 2HD2 ASN 13 -10.298 -8.146 -8.146 107 2HD2 ASN 13 1HD2 ASN 13 -9.934 -7.107 -7.107 108 H THR 14 H THR 14 -14.996 -7.457 -7.457 109 HA THR 14 HA THR 14 -15.510 -10.303 -10.303 110 HB THR 14 HB THR 14 -17.945 -9.249 -9.249 111 HG1 THR 14 HG1 THR 14 -16.235 -7.062 -7.062 112 1HG2 THR 14 1HG2 THR 14 -16.405 -10.294 -10.294 113 2HG2 THR 14 3HG2 THR 14 -15.808 -8.665 -8.665 114 3HG2 THR 14 2HG2 THR 14 -17.504 -9.052 -9.052 115 HA PRO 15 HA PRO 15 -16.629 -10.553 -10.553 116 1HB PRO 15 2HB PRO 15 -17.917 -12.991 -12.991 117 2HB PRO 15 1HB PRO 15 -16.156 -12.796 -12.796 118 1HG PRO 15 2HG PRO 15 -17.920 -13.529 -13.529 119 2HG PRO 15 1HG PRO 15 -16.250 -14.018 -14.018 120 1HD PRO 15 2HD PRO 15 -16.960 -12.076 -12.076 121 2HD PRO 15 1HD PRO 15 -15.361 -12.197 -12.197 122 H ILE 16 H ILE 16 -18.936 -10.838 -10.838 123 HA ILE 16 HA ILE 16 -21.344 -10.619 -10.619 124 HB ILE 16 HB ILE 16 -22.408 -9.997 -9.997 125 1HG1 ILE 16 2HG1 ILE 16 -19.926 -10.701 -10.701 126 2HG1 ILE 16 1HG1 ILE 16 -19.916 -9.118 -9.118 127 1HG2 ILE 16 2HG2 ILE 16 -20.796 -12.457 -12.457 128 2HG2 ILE 16 1HG2 ILE 16 -21.456 -12.236 -12.236 129 3HG2 ILE 16 3HG2 ILE 16 -22.536 -12.282 -12.282 130 1HD1 ILE 16 2HD1 ILE 16 -22.101 -10.116 -10.116 131 2HD1 ILE 16 1HD1 ILE 16 -20.797 -9.027 -9.027 132 3HD1 ILE 16 3HD1 ILE 16 -21.989 -8.507 -8.507 133 H ILE 17 H ILE 17 -22.566 -8.692 -8.692 134 HA ILE 17 HA ILE 17 -20.994 -6.159 -6.159 135 HB ILE 17 HB ILE 17 -22.484 -5.328 -5.328 136 1HG1 ILE 17 2HG1 ILE 17 -22.914 -8.304 -8.304 137 2HG1 ILE 17 1HG1 ILE 17 -24.147 -7.214 -7.214 138 1HG2 ILE 17 3HG2 ILE 17 -20.273 -7.318 -7.318 139 2HG2 ILE 17 2HG2 ILE 17 -21.124 -6.990 -6.990 140 3HG2 ILE 17 1HG2 ILE 17 -20.343 -5.674 -5.674 141 1HD1 ILE 17 3HD1 ILE 17 -22.746 -6.811 -6.811 142 2HD1 ILE 17 2HD1 ILE 17 -24.320 -7.589 -7.589 143 3HD1 ILE 17 1HD1 ILE 17 -24.118 -5.895 -5.895 144 H ASN 18 H ASN 18 -21.823 -5.839 -5.839 145 HA ASN 18 HA ASN 18 -24.536 -4.594 -4.594 146 1HB ASN 18 2HB ASN 18 -23.629 -6.770 -6.770 147 2HB ASN 18 1HB ASN 18 -25.096 -5.809 -5.809 148 1HD2 ASN 18 2HD2 ASN 18 -26.659 -7.369 -7.369 149 2HD2 ASN 18 1HD2 ASN 18 -26.457 -5.828 -5.828 150 H CYS 19 H CYS 19 -23.824 -2.558 -2.558 151 HA CYS 19 HA CYS 19 -21.582 -2.077 -2.077 152 1HB CYS 19 2HB CYS 19 -23.631 -0.013 -0.013 153 2HB CYS 19 1HB CYS 19 -21.965 0.249 0.249 154 H ASN 20 H ASN 20 -24.847 -2.878 -2.878 155 HA ASN 20 HA ASN 20 -25.308 -1.199 -1.199 156 1HB ASN 20 2HB ASN 20 -27.041 -3.002 -3.002 157 2HB ASN 20 1HB ASN 20 -27.270 -2.153 -2.153 158 1HD2 ASN 20 2HD2 ASN 20 -26.916 -5.066 -5.066 159 2HD2 ASN 20 1HD2 ASN 20 -27.213 -3.396 -3.396 160 H THR 21 H THR 21 -24.152 -4.558 -4.558 161 HA THR 21 HA THR 21 -23.573 -4.793 -4.793 162 HB THR 21 HB THR 21 -22.656 -6.737 -6.737 163 HG1 THR 21 HG1 THR 21 -24.724 -6.800 -6.800 164 1HG2 THR 21 2HG2 THR 21 -21.872 -7.002 -7.002 165 2HG2 THR 21 1HG2 THR 21 -23.554 -7.082 -7.082 166 3HG2 THR 21 3HG2 THR 21 -22.895 -8.339 -8.339 167 H ILE 22 H ILE 22 -21.900 -3.695 -3.695 168 HA ILE 22 HA ILE 22 -19.227 -4.084 -4.084 169 HB ILE 22 HB ILE 22 -20.004 -2.602 -2.602 170 1HG1 ILE 22 2HG1 ILE 22 -18.897 -5.405 -5.405 171 2HG1 ILE 22 1HG1 ILE 22 -20.634 -5.105 -5.105 172 1HG2 ILE 22 2HG2 ILE 22 -17.404 -3.581 -3.581 173 2HG2 ILE 22 1HG2 ILE 22 -17.572 -3.259 -3.259 174 3HG2 ILE 22 3HG2 ILE 22 -17.805 -1.958 -1.958 175 1HD1 ILE 22 2HD1 ILE 22 -20.390 -3.842 -3.842 176 2HD1 ILE 22 1HD1 ILE 22 -18.687 -4.303 -4.303 177 3HD1 ILE 22 3HD1 ILE 22 -19.939 -5.542 -5.542 178 H MET 23 H MET 23 -21.685 -1.775 -1.775 179 HA MET 23 HA MET 23 -19.694 0.366 0.366 180 1HB MET 23 2HB MET 23 -21.544 1.967 1.967 181 2HB MET 23 1HB MET 23 -21.471 0.997 0.997 182 1HG MET 23 2HG MET 23 -23.221 -0.527 -0.527 183 2HG MET 23 1HG MET 23 -23.437 0.772 0.772 184 1HE MET 23 2HE MET 23 -24.755 2.341 2.341 185 2HE MET 23 1HE MET 23 -24.109 3.565 3.565 186 3HE MET 23 3HE MET 23 -25.778 3.004 3.004 187 H ASP 24 H ASP 24 -22.585 -1.328 -1.328 188 HA ASP 24 HA ASP 24 -22.634 -0.141 -0.141 189 1HB ASP 24 2HB ASP 24 -23.854 -2.490 -2.490 190 2HB ASP 24 1HB ASP 24 -23.732 -2.600 -2.600 191 H ASN 25 H ASN 25 -20.585 -0.150 -0.150 192 HA ASN 25 HA ASN 25 -19.601 -2.589 -2.589 193 1HB ASN 25 2HB ASN 25 -18.767 -2.813 -2.813 194 2HB ASN 25 1HB ASN 25 -17.887 -1.315 -1.315 195 1HD2 ASN 25 2HD2 ASN 25 -15.167 -3.291 -3.291 196 2HD2 ASN 25 1HD2 ASN 25 -15.753 -2.211 -2.211 197 H ASN 26 H ASN 26 -17.774 -2.110 -2.110 198 HA ASN 26 HA ASN 26 -17.910 0.551 0.551 199 1HB ASN 26 2HB ASN 26 -16.021 -1.780 -1.780 200 2HB ASN 26 1HB ASN 26 -16.000 -0.294 -0.294 201 1HD2 ASN 26 1HD2 ASN 26 -17.652 -3.324 -3.324 202 2HD2 ASN 26 2HD2 ASN 26 -18.846 -3.091 -3.091 203 H ILE 27 H ILE 27 -16.168 -0.669 -0.669 204 HA ILE 27 HA ILE 27 -13.916 1.222 1.222 205 HB ILE 27 HB ILE 27 -14.537 -0.641 -0.641 206 1HG1 ILE 27 2HG1 ILE 27 -12.678 -1.047 -1.047 207 2HG1 ILE 27 1HG1 ILE 27 -14.259 -1.811 -1.811 208 1HG2 ILE 27 3HG2 ILE 27 -12.339 1.239 1.239 209 2HG2 ILE 27 2HG2 ILE 27 -11.848 -0.329 -0.329 210 3HG2 ILE 27 1HG2 ILE 27 -12.914 0.715 0.715 211 1HD1 ILE 27 3HD1 ILE 27 -13.378 -2.644 -2.644 212 2HD1 ILE 27 2HD1 ILE 27 -11.782 -2.244 -2.244 213 3HD1 ILE 27 1HD1 ILE 27 -12.783 -3.441 -3.441 214 H TYR 28 H TYR 28 -16.964 1.849 1.849 215 HA TYR 28 HA TYR 28 -16.288 4.038 4.038 216 1HB TYR 28 2HB TYR 28 -18.334 1.906 1.906 217 2HB TYR 28 1HB TYR 28 -18.228 3.452 3.452 218 HD1 TYR 28 HD2 TYR 28 -15.637 4.058 4.058 219 HD2 TYR 28 HD1 TYR 28 -17.315 0.120 0.120 220 HE1 TYR 28 HE2 TYR 28 -13.879 3.155 3.155 221 HE2 TYR 28 HE1 TYR 28 -15.558 -0.779 -0.779 222 HH TYR 28 HH TYR 28 -13.737 1.016 1.016 223 H ILE 29 H ILE 29 -16.866 4.912 4.912 224 HA ILE 29 HA ILE 29 -19.722 5.757 5.757 225 HB ILE 29 HB ILE 29 -18.519 4.633 4.633 226 1HG1 ILE 29 2HG1 ILE 29 -20.546 3.400 3.400 227 2HG1 ILE 29 1HG1 ILE 29 -18.881 2.856 2.856 228 1HG2 ILE 29 3HG2 ILE 29 -21.117 5.896 5.896 229 2HG2 ILE 29 2HG2 ILE 29 -21.141 4.654 4.654 230 3HG2 ILE 29 1HG2 ILE 29 -20.184 6.116 6.116 231 1HD1 ILE 29 2HD1 ILE 29 -19.826 2.898 2.898 232 2HD1 ILE 29 1HD1 ILE 29 -21.218 2.330 2.330 233 3HD1 ILE 29 3HD1 ILE 29 -19.684 1.466 1.466 234 H VAL 30 H VAL 30 -19.995 7.827 7.827 235 HA VAL 30 HA VAL 30 -17.655 9.243 9.243 236 HB VAL 30 HB VAL 30 -18.480 9.825 9.825 237 1HG1 VAL 30 1HG1 VAL 30 -20.910 9.961 9.961 238 2HG1 VAL 30 3HG1 VAL 30 -20.490 11.522 11.522 239 3HG1 VAL 30 2HG1 VAL 30 -20.324 11.263 11.263 240 1HG2 VAL 30 3HG2 VAL 30 -17.256 11.311 11.311 241 2HG2 VAL 30 2HG2 VAL 30 -17.245 11.668 11.668 242 3HG2 VAL 30 1HG2 VAL 30 -18.467 12.398 12.398 243 H GLY 31 H GLY 31 -19.165 11.574 11.574 244 1HA GLY 31 2HA GLY 31 -20.564 10.333 10.333 245 2HA GLY 31 1HA GLY 31 -19.983 11.990 11.990 246 H GLY 32 H GLY 32 -22.395 9.877 9.877 247 1HA GLY 32 2HA GLY 32 -24.560 11.701 11.701 248 2HA GLY 32 1HA GLY 32 -24.108 11.779 11.779 249 H GLN 33 H GLN 33 -23.809 9.485 9.485 250 HA GLN 33 HA GLN 33 -25.394 7.282 7.282 251 1HB GLN 33 2HB GLN 33 -27.205 8.805 8.805 252 2HB GLN 33 1HB GLN 33 -26.486 8.808 8.808 253 1HG GLN 33 2HG GLN 33 -28.174 7.156 7.156 254 2HG GLN 33 1HG GLN 33 -26.689 6.235 6.235 255 1HE2 GLN 33 2HE2 GLN 33 -27.854 4.788 4.788 256 2HE2 GLN 33 1HE2 GLN 33 -26.779 4.726 4.726 257 H CYS 34 H CYS 34 -24.675 8.598 8.598 258 HA CYS 34 HA CYS 34 -22.589 6.584 6.584 259 1HB CYS 34 2HB CYS 34 -23.672 5.607 5.607 260 2HB CYS 34 1HB CYS 34 -24.693 5.368 5.368 261 H LYS 35 H LYS 35 -21.181 7.250 7.250 262 HA LYS 35 HA LYS 35 -21.151 10.053 10.053 263 1HB LYS 35 2HB LYS 35 -19.464 7.691 7.691 264 2HB LYS 35 1HB LYS 35 -19.430 8.884 8.884 265 1HG LYS 35 2HG LYS 35 -19.241 10.521 10.521 266 2HG LYS 35 1HG LYS 35 -18.417 9.088 9.088 267 1HD LYS 35 2HD LYS 35 -17.136 9.120 9.120 268 2HD LYS 35 1HD LYS 35 -17.708 10.785 10.785 269 1HE LYS 35 2HE LYS 35 -16.569 11.448 11.448 270 2HE LYS 35 1HE LYS 35 -16.324 9.782 9.782 271 1HZ LYS 35 1HZ LYS 35 -15.107 9.859 9.859 272 2HZ LYS 35 3HZ LYS 35 -14.759 11.395 11.395 273 3HZ LYS 35 2HZ LYS 35 -14.324 10.000 10.000 274 H ARG 36 H ARG 36 -20.751 10.613 10.613 275 HA ARG 36 HA ARG 36 -23.157 9.599 9.599 276 1HB ARG 36 2HB ARG 36 -23.056 11.750 11.750 277 2HB ARG 36 1HB ARG 36 -23.210 12.000 12.000 278 1HG ARG 36 2HG ARG 36 -20.410 11.816 11.816 279 2HG ARG 36 1HG ARG 36 -21.268 13.136 13.136 280 1HD ARG 36 2HD ARG 36 -21.564 12.743 12.743 281 2HD ARG 36 1HD ARG 36 -20.138 13.562 13.562 282 HE ARG 36 HE ARG 36 -22.756 14.568 14.568 283 1HH1 ARG 36 1HH2 ARG 36 -21.353 16.709 16.709 284 2HH1 ARG 36 2HH2 ARG 36 -21.028 17.562 17.562 285 1HH2 ARG 36 2HH1 ARG 36 -21.771 14.861 14.861 286 2HH2 ARG 36 1HH1 ARG 36 -21.262 16.516 16.516 287 H VAL 37 H VAL 37 -20.133 8.675 8.675 288 HA VAL 37 HA VAL 37 -20.033 7.954 7.954 289 HB VAL 37 HB VAL 37 -19.105 10.304 10.304 290 1HG1 VAL 37 3HG1 VAL 37 -18.001 10.018 10.018 291 2HG1 VAL 37 2HG1 VAL 37 -16.709 9.182 9.182 292 3HG1 VAL 37 1HG1 VAL 37 -17.076 10.864 10.864 293 1HG2 VAL 37 2HG2 VAL 37 -17.679 7.846 7.846 294 2HG2 VAL 37 1HG2 VAL 37 -18.253 9.213 9.213 295 3HG2 VAL 37 3HG2 VAL 37 -16.740 9.338 9.338 296 H ASN 38 H ASN 38 -19.354 5.960 5.960 297 HA ASN 38 HA ASN 38 -17.265 5.107 5.107 298 1HB ASN 38 2HB ASN 38 -19.565 3.413 3.413 299 2HB ASN 38 1HB ASN 38 -18.322 2.884 2.884 300 1HD2 ASN 38 2HD2 ASN 38 -21.501 4.161 4.161 301 2HD2 ASN 38 1HD2 ASN 38 -21.336 3.174 3.174 302 H THR 39 H THR 39 -15.643 5.514 5.514 303 HA THR 39 HA THR 39 -15.767 4.335 4.335 304 HB THR 39 HB THR 39 -13.377 5.600 5.600 305 HG1 THR 39 HG1 THR 39 -14.293 7.460 7.460 306 1HG2 THR 39 2HG2 THR 39 -12.991 4.357 4.357 307 2HG2 THR 39 1HG2 THR 39 -14.182 5.392 5.392 308 3HG2 THR 39 3HG2 THR 39 -12.687 6.088 6.088 309 H PHE 40 H PHE 40 -15.557 2.171 2.171 310 HA PHE 40 HA PHE 40 -13.526 0.774 0.774 311 1HB PHE 40 2HB PHE 40 -15.550 -0.454 -0.454 312 2HB PHE 40 1HB PHE 40 -14.672 -1.260 -1.260 313 HD1 PHE 40 HD1 PHE 40 -14.954 0.567 0.567 314 HD2 PHE 40 HD2 PHE 40 -17.814 -0.543 -0.543 315 HE1 PHE 40 HE1 PHE 40 -16.804 1.062 1.062 316 HE2 PHE 40 HE2 PHE 40 -19.661 -0.051 -0.051 317 HZ PHE 40 HZ PHE 40 -19.157 0.754 0.754 318 H ILE 41 H ILE 41 -12.017 -0.742 -0.742 319 HA ILE 41 HA ILE 41 -11.643 0.082 0.082 320 HB ILE 41 HB ILE 41 -9.528 -0.125 -0.125 321 1HG1 ILE 41 2HG1 ILE 41 -9.099 2.248 2.248 322 2HG1 ILE 41 1HG1 ILE 41 -10.712 2.089 2.089 323 1HG2 ILE 41 1HG2 ILE 41 -9.275 0.092 0.092 324 2HG2 ILE 41 3HG2 ILE 41 -7.980 0.575 0.575 325 3HG2 ILE 41 2HG2 ILE 41 -8.525 -1.102 -1.102 326 1HD1 ILE 41 2HD1 ILE 41 -10.762 1.256 1.256 327 2HD1 ILE 41 1HD1 ILE 41 -10.057 2.868 2.868 328 3HD1 ILE 41 3HD1 ILE 41 -11.663 2.554 2.554 329 H ILE 42 H ILE 42 -11.468 -1.613 -1.613 330 HA ILE 42 HA ILE 42 -11.215 -4.339 -4.339 331 HB ILE 42 HB ILE 42 -13.239 -4.038 -4.038 332 1HG1 ILE 42 2HG1 ILE 42 -11.380 -5.617 -5.617 333 2HG1 ILE 42 1HG1 ILE 42 -11.821 -6.187 -6.187 334 1HG2 ILE 42 2HG2 ILE 42 -12.457 -2.178 -2.178 335 2HG2 ILE 42 1HG2 ILE 42 -11.452 -3.313 -3.313 336 3HG2 ILE 42 3HG2 ILE 42 -13.201 -3.474 -3.474 337 1HD1 ILE 42 3HD1 ILE 42 -14.258 -5.430 -5.430 338 2HD1 ILE 42 2HD1 ILE 42 -13.387 -6.215 -6.215 339 3HD1 ILE 42 1HD1 ILE 42 -13.663 -7.079 -7.079 340 H SER 43 H SER 43 -9.137 -4.920 -4.920 341 HA SER 43 HA SER 43 -7.583 -5.572 -5.572 342 1HB SER 43 2HB SER 43 -7.379 -3.131 -3.131 343 2HB SER 43 1HB SER 43 -6.797 -2.944 -2.944 344 HG SER 43 HG SER 43 -5.251 -3.183 -3.183 345 H SER 44 H SER 44 -5.508 -6.507 -6.507 346 HA SER 44 HA SER 44 -5.489 -7.710 -7.710 347 1HB SER 44 2HB SER 44 -3.028 -8.225 -8.225 348 2HB SER 44 1HB SER 44 -4.266 -8.852 -8.852 349 HG SER 44 HG SER 44 -3.380 -7.707 -7.707 350 H ALA 45 H ALA 45 -4.779 -6.958 -6.958 351 HA ALA 45 HA ALA 45 -4.227 -4.265 -4.265 352 1HB ALA 45 2HB ALA 45 -4.890 -6.033 -6.033 353 2HB ALA 45 1HB ALA 45 -3.222 -6.608 -6.608 354 3HB ALA 45 3HB ALA 45 -3.584 -4.983 -4.983 355 H THR 46 H THR 46 -1.995 -6.779 -6.779 356 HA THR 46 HA THR 46 0.365 -5.238 -5.238 357 HB THR 46 HB THR 46 0.456 -7.631 -7.631 358 HG1 THR 46 HG1 THR 46 2.048 -6.745 -6.745 359 1HG2 THR 46 2HG2 THR 46 -0.603 -7.418 -7.418 360 2HG2 THR 46 1HG2 THR 46 0.650 -8.640 -8.640 361 3HG2 THR 46 3HG2 THR 46 -0.814 -8.703 -8.703 362 H THR 47 H THR 47 -1.475 -5.662 -5.662 363 HA THR 47 HA THR 47 0.515 -4.531 -4.531 364 HB THR 47 HB THR 47 -1.583 -3.824 -3.824 365 HG1 THR 47 HG1 THR 47 -3.468 -4.812 -4.812 366 1HG2 THR 47 2HG2 THR 47 -0.549 -6.540 -6.540 367 2HG2 THR 47 1HG2 THR 47 -2.066 -6.460 -6.460 368 3HG2 THR 47 3HG2 THR 47 -0.621 -5.675 -5.675 369 H VAL 48 H VAL 48 -1.980 -3.231 -3.231 370 HA VAL 48 HA VAL 48 -1.605 -0.445 -0.445 371 HB VAL 48 HB VAL 48 -2.666 -1.577 -1.577 372 1HG1 VAL 48 1HG1 VAL 48 -2.057 0.911 0.911 373 2HG1 VAL 48 3HG1 VAL 48 -3.396 1.004 1.004 374 3HG1 VAL 48 2HG1 VAL 48 -3.698 0.544 0.544 375 1HG2 VAL 48 1HG2 VAL 48 -3.853 -1.366 -1.366 376 2HG2 VAL 48 3HG2 VAL 48 -4.153 -2.560 -2.560 377 3HG2 VAL 48 2HG2 VAL 48 -4.890 -0.963 -0.963 378 H LYS 49 H LYS 49 -0.269 -2.701 -2.701 379 HA LYS 49 HA LYS 49 1.257 -0.876 -0.876 380 1HB LYS 49 2HB LYS 49 0.838 -3.192 -3.192 381 2HB LYS 49 1HB LYS 49 1.776 -3.801 -3.801 382 1HG LYS 49 2HG LYS 49 3.752 -2.494 -2.494 383 2HG LYS 49 1HG LYS 49 2.787 -2.199 -2.199 384 1HD LYS 49 2HD LYS 49 2.751 -4.470 -4.470 385 2HD LYS 49 1HD LYS 49 3.145 -4.999 -4.999 386 1HE LYS 49 2HE LYS 49 5.213 -5.265 -5.265 387 2HE LYS 49 1HE LYS 49 5.358 -3.595 -3.595 388 1HZ LYS 49 2HZ LYS 49 4.576 -2.868 -2.868 389 2HZ LYS 49 1HZ LYS 49 4.521 -4.484 -4.484 390 3HZ LYS 49 3HZ LYS 49 6.007 -3.777 -3.777 391 H ALA 50 H ALA 50 1.733 -2.158 -2.158 392 HA ALA 50 HA ALA 50 4.593 -1.553 -1.553 393 1HB ALA 50 2HB ALA 50 2.613 -2.854 -2.854 394 2HB ALA 50 1HB ALA 50 3.721 -1.818 -1.818 395 3HB ALA 50 3HB ALA 50 4.351 -3.117 -3.117 396 H ILE 51 H ILE 51 1.562 0.012 0.012 397 HA ILE 51 HA ILE 51 2.795 2.104 2.104 398 HB ILE 51 HB ILE 51 0.372 1.421 1.421 399 1HG1 ILE 51 2HG1 ILE 51 1.305 3.543 3.543 400 2HG1 ILE 51 1HG1 ILE 51 -0.412 3.591 3.591 401 1HG2 ILE 51 1HG2 ILE 51 0.445 2.284 2.284 402 2HG2 ILE 51 3HG2 ILE 51 -0.771 3.184 3.184 403 3HG2 ILE 51 2HG2 ILE 51 -0.818 1.424 1.424 404 1HD1 ILE 51 2HD1 ILE 51 0.809 4.520 4.520 405 2HD1 ILE 51 1HD1 ILE 51 1.747 5.247 5.247 406 3HD1 ILE 51 3HD1 ILE 51 0.006 5.504 5.504 407 H CYS 52 H CYS 52 2.265 1.716 1.716 408 HA CYS 52 HA CYS 52 3.107 4.506 4.506 409 1HB CYS 52 2HB CYS 52 1.246 2.872 2.872 410 2HB CYS 52 1HB CYS 52 2.627 2.777 2.777 411 H THR 53 H THR 53 4.928 2.282 2.282 412 HA THR 53 HA THR 53 6.761 1.844 1.844 413 HB THR 53 HB THR 53 7.198 1.118 1.118 414 HG1 THR 53 HG1 THR 53 6.448 -0.961 -0.961 415 1HG2 THR 53 1HG2 THR 53 8.466 0.357 0.357 416 2HG2 THR 53 3HG2 THR 53 8.593 -0.692 -0.692 417 3HG2 THR 53 2HG2 THR 53 9.245 0.946 0.946 418 H GLY 54 H GLY 54 8.074 3.500 3.500 419 1HA GLY 54 2HA GLY 54 9.793 4.752 4.752 420 2HA GLY 54 1HA GLY 54 8.643 5.865 5.865 421 H VAL 55 H VAL 55 8.598 5.569 5.569 422 HA VAL 55 HA VAL 55 11.114 4.796 4.796 423 HB VAL 55 HB VAL 55 11.443 7.102 7.102 424 1HG1 VAL 55 3HG1 VAL 55 9.239 7.948 7.948 425 2HG1 VAL 55 2HG1 VAL 55 10.279 8.247 8.247 426 3HG1 VAL 55 1HG1 VAL 55 10.616 9.038 9.038 427 1HG2 VAL 55 1HG2 VAL 55 12.564 5.918 5.918 428 2HG2 VAL 55 3HG2 VAL 55 13.254 7.231 7.231 429 3HG2 VAL 55 2HG2 VAL 55 12.281 7.595 7.595 430 H ILE 56 H ILE 56 10.792 6.252 6.252 431 HA ILE 56 HA ILE 56 8.349 4.935 4.935 432 HB ILE 56 HB ILE 56 9.260 5.450 5.450 433 1HG1 ILE 56 2HG1 ILE 56 11.546 6.769 6.769 434 2HG1 ILE 56 1HG1 ILE 56 10.280 7.653 7.653 435 1HG2 ILE 56 2HG2 ILE 56 10.055 3.477 3.477 436 2HG2 ILE 56 1HG2 ILE 56 11.483 4.439 4.439 437 3HG2 ILE 56 3HG2 ILE 56 11.147 3.988 3.988 438 1HD1 ILE 56 2HD1 ILE 56 11.211 5.752 5.752 439 2HD1 ILE 56 1HD1 ILE 56 12.660 6.377 6.377 440 3HD1 ILE 56 3HD1 ILE 56 11.540 7.483 7.483 441 H ASN 57 H ASN 57 8.195 7.458 7.458 442 HA ASN 57 HA ASN 57 6.016 8.796 8.796 443 1HB ASN 57 2HB ASN 57 8.044 9.493 9.493 444 2HB ASN 57 1HB ASN 57 8.457 10.541 10.541 445 1HD2 ASN 57 2HD2 ASN 57 6.259 12.942 12.942 446 2HD2 ASN 57 1HD2 ASN 57 7.841 12.575 12.575 447 H MET 58 H MET 58 5.085 9.430 9.430 448 HA MET 58 HA MET 58 6.513 11.251 11.251 449 1HB MET 58 2HB MET 58 6.436 8.345 8.345 450 2HB MET 58 1HB MET 58 5.949 9.350 9.350 451 1HG MET 58 2HG MET 58 8.284 10.487 10.487 452 2HG MET 58 1HG MET 58 8.581 8.802 8.802 453 1HE MET 58 1HE MET 58 7.685 12.168 12.168 454 2HE MET 58 3HE MET 58 9.236 12.242 12.242 455 3HE MET 58 2HE MET 58 7.729 12.409 12.409 456 H ASN 59 H ASN 59 5.218 11.412 11.412 457 HA ASN 59 HA ASN 59 2.270 11.155 11.155 458 1HB ASN 59 2HB ASN 59 2.037 13.427 13.427 459 2HB ASN 59 1HB ASN 59 2.782 13.489 13.489 460 1HD2 ASN 59 2HD2 ASN 59 4.914 14.666 14.666 461 2HD2 ASN 59 1HD2 ASN 59 3.316 14.115 14.115 462 H VAL 60 H VAL 60 1.607 9.851 9.851 463 HA VAL 60 HA VAL 60 2.935 10.232 10.232 464 HB VAL 60 HB VAL 60 2.043 7.558 7.558 465 1HG1 VAL 60 1HG1 VAL 60 3.523 8.484 8.484 466 2HG1 VAL 60 3HG1 VAL 60 3.781 6.859 6.859 467 3HG1 VAL 60 2HG1 VAL 60 2.170 7.358 7.358 468 1HG2 VAL 60 2HG2 VAL 60 4.812 8.803 8.803 469 2HG2 VAL 60 1HG2 VAL 60 3.871 8.417 8.417 470 3HG2 VAL 60 3HG2 VAL 60 4.471 7.121 7.121 471 H LEU 61 H LEU 61 1.564 9.278 9.278 472 HA LEU 61 HA LEU 61 -1.347 9.643 9.643 473 1HB LEU 61 2HB LEU 61 0.036 10.301 10.301 474 2HB LEU 61 1HB LEU 61 -1.604 10.727 10.727 475 HG LEU 61 HG LEU 61 -0.269 11.916 11.916 476 1HD1 LEU 61 1HD1 LEU 61 1.947 11.195 11.195 477 2HD1 LEU 61 3HD1 LEU 61 1.618 12.047 12.047 478 3HD1 LEU 61 2HD1 LEU 61 1.789 12.949 12.949 479 1HD2 LEU 61 1HD2 LEU 61 -0.666 13.012 13.012 480 2HD2 LEU 61 3HD2 LEU 61 -1.850 13.036 13.036 481 3HD2 LEU 61 2HD2 LEU 61 -0.382 14.005 14.005 482 H SER 62 H SER 62 -2.262 7.614 7.614 483 HA SER 62 HA SER 62 -1.220 5.353 5.353 484 1HB SER 62 2HB SER 62 -4.168 5.852 5.852 485 2HB SER 62 1HB SER 62 -3.312 4.314 4.314 486 HG SER 62 HG SER 62 -3.381 6.318 6.318 487 H THR 63 H THR 63 -0.574 6.008 6.008 488 HA THR 63 HA THR 63 -2.473 7.245 7.245 489 HB THR 63 HB THR 63 -0.532 6.701 6.701 490 HG1 THR 63 HG1 THR 63 1.067 5.658 5.658 491 1HG2 THR 63 1HG2 THR 63 -1.010 8.818 8.818 492 2HG2 THR 63 3HG2 THR 63 0.707 8.452 8.452 493 3HG2 THR 63 2HG2 THR 63 0.049 8.841 8.841 494 H THR 64 H THR 64 -0.794 4.097 4.097 495 HA THR 64 HA THR 64 -2.145 2.855 2.855 496 HB THR 64 HB THR 64 -1.073 1.515 1.515 497 HG1 THR 64 HG1 THR 64 0.422 2.871 2.871 498 1HG2 THR 64 1HG2 THR 64 -1.694 0.515 0.515 499 2HG2 THR 64 3HG2 THR 64 -0.746 -0.398 -0.398 500 3HG2 THR 64 2HG2 THR 64 -2.432 -0.010 -0.010 501 H ARG 65 H ARG 65 -4.314 2.837 2.837 502 HA ARG 65 HA ARG 65 -6.247 3.244 3.244 503 1HB ARG 65 2HB ARG 65 -7.802 1.972 1.972 504 2HB ARG 65 1HB ARG 65 -6.698 2.934 2.934 505 1HG ARG 65 2HG ARG 65 -5.232 0.766 0.766 506 2HG ARG 65 1HG ARG 65 -6.739 -0.039 -0.039 507 1HD ARG 65 2HD ARG 65 -7.847 0.839 0.839 508 2HD ARG 65 1HD ARG 65 -6.429 1.806 1.806 509 HE ARG 65 HE ARG 65 -5.269 -0.244 -0.244 510 1HH1 ARG 65 1HH2 ARG 65 -5.976 -2.477 -2.477 511 2HH1 ARG 65 2HH2 ARG 65 -7.277 -3.238 -3.238 512 1HH2 ARG 65 2HH1 ARG 65 -8.061 -0.420 -0.420 513 2HH2 ARG 65 1HH1 ARG 65 -8.457 -2.075 -2.075 514 H PHE 66 H PHE 66 -6.350 2.410 2.410 515 HA PHE 66 HA PHE 66 -5.905 -0.529 -0.529 516 1HB PHE 66 2HB PHE 66 -6.047 1.849 1.849 517 2HB PHE 66 1HB PHE 66 -6.174 0.201 0.201 518 HD1 PHE 66 HD2 PHE 66 -4.264 -1.417 -1.417 519 HD2 PHE 66 HD1 PHE 66 -3.926 2.750 2.750 520 HE1 PHE 66 HE2 PHE 66 -1.809 -1.648 -1.648 521 HE2 PHE 66 HE1 PHE 66 -1.470 2.497 2.497 522 HZ PHE 66 HZ PHE 66 -0.411 0.303 0.303 523 H GLN 67 H GLN 67 -8.206 0.125 0.125 524 HA GLN 67 HA GLN 67 -10.612 0.345 0.345 525 1HB GLN 67 2HB GLN 67 -9.679 -1.983 -1.983 526 2HB GLN 67 1HB GLN 67 -10.177 -2.415 -2.415 527 1HG GLN 67 2HG GLN 67 -12.415 -2.285 -2.285 528 2HG GLN 67 1HG GLN 67 -12.187 -0.986 -0.986 529 1HE2 GLN 67 2HE2 GLN 67 -12.569 -4.706 -4.706 530 2HE2 GLN 67 1HE2 GLN 67 -13.031 -4.207 -4.207 531 H LEU 68 H LEU 68 -11.719 1.618 1.618 532 HA LEU 68 HA LEU 68 -11.844 0.649 0.649 533 1HB LEU 68 2HB LEU 68 -12.929 2.942 2.942 534 2HB LEU 68 1HB LEU 68 -11.218 2.909 2.909 535 HG LEU 68 HG LEU 68 -11.596 3.732 3.732 536 1HD1 LEU 68 2HD1 LEU 68 -14.507 3.079 3.079 537 2HD1 LEU 68 1HD1 LEU 68 -14.004 4.181 4.181 538 3HD1 LEU 68 3HD1 LEU 68 -13.480 2.499 2.499 539 1HD2 LEU 68 3HD2 LEU 68 -11.969 5.290 5.290 540 2HD2 LEU 68 2HD2 LEU 68 -12.560 5.853 5.853 541 3HD2 LEU 68 1HD2 LEU 68 -13.684 5.174 5.174 542 H ASN 69 H ASN 69 -13.806 0.671 0.671 543 HA ASN 69 HA ASN 69 -16.305 0.312 0.312 544 1HB ASN 69 2HB ASN 69 -15.217 -1.773 -1.773 545 2HB ASN 69 1HB ASN 69 -15.934 -1.019 -1.019 546 1HD2 ASN 69 2HD2 ASN 69 -18.314 -2.974 -2.974 547 2HD2 ASN 69 1HD2 ASN 69 -16.628 -2.934 -2.934 548 H THR 70 H THR 70 -17.064 2.454 2.454 549 HA THR 70 HA THR 70 -16.990 3.447 3.447 550 HB THR 70 HB THR 70 -17.813 5.028 5.028 551 HG1 THR 70 HG1 THR 70 -15.826 4.816 4.816 552 1HG2 THR 70 3HG2 THR 70 -18.243 5.870 5.870 553 2HG2 THR 70 2HG2 THR 70 -16.493 5.903 5.903 554 3HG2 THR 70 1HG2 THR 70 -17.248 6.925 6.925 555 H CYS 71 H CYS 71 -18.696 3.419 3.419 556 HA CYS 71 HA CYS 71 -21.444 3.282 3.282 557 1HB CYS 71 2HB CYS 71 -20.613 2.495 2.495 558 2HB CYS 71 1HB CYS 71 -22.174 2.204 2.204 559 H THR 72 H THR 72 -22.113 5.423 5.423 560 HA THR 72 HA THR 72 -21.266 7.134 7.134 561 HB THR 72 HB THR 72 -22.293 8.175 8.175 562 HG1 THR 72 HG1 THR 72 -19.644 7.449 7.449 563 1HG2 THR 72 2HG2 THR 72 -20.526 9.270 9.270 564 2HG2 THR 72 1HG2 THR 72 -20.785 10.082 10.082 565 3HG2 THR 72 3HG2 THR 72 -22.140 9.823 9.823 566 H ARG 73 H ARG 73 -22.736 8.279 8.279 567 HA ARG 73 HA ARG 73 -25.492 7.456 7.456 568 1HB ARG 73 2HB ARG 73 -24.033 8.499 8.499 569 2HB ARG 73 1HB ARG 73 -24.405 10.049 10.049 570 1HG ARG 73 2HG ARG 73 -26.897 8.987 8.987 571 2HG ARG 73 1HG ARG 73 -26.162 8.225 8.225 572 1HD ARG 73 2HD ARG 73 -25.803 10.249 10.249 573 2HD ARG 73 1HD ARG 73 -25.737 11.160 11.160 574 HE ARG 73 HE ARG 73 -28.287 10.628 10.628 575 1HH1 ARG 73 2HH1 ARG 73 -28.446 9.252 9.252 576 2HH1 ARG 73 1HH1 ARG 73 -28.868 10.535 10.535 577 1HH2 ARG 73 1HH2 ARG 73 -27.959 13.051 13.051 578 2HH2 ARG 73 2HH2 ARG 73 -28.590 12.687 12.687 579 H THR 74 H THR 74 -26.992 8.029 8.029 580 HA THR 74 HA THR 74 -26.599 10.550 10.550 581 HB THR 74 HB THR 74 -28.194 9.513 9.513 582 HG1 THR 74 HG1 THR 74 -28.631 7.248 7.248 583 1HG2 THR 74 1HG2 THR 74 -25.638 9.093 9.093 584 2HG2 THR 74 3HG2 THR 74 -26.060 7.489 7.489 585 3HG2 THR 74 2HG2 THR 74 -26.631 8.014 8.014 586 H SER 75 H SER 75 -29.772 9.884 9.884 587 HA SER 75 HA SER 75 -30.832 11.021 11.021 588 1HB SER 75 2HB SER 75 -30.152 12.962 12.962 589 2HB SER 75 1HB SER 75 -31.322 12.392 12.392 590 HG SER 75 HG SER 75 -32.701 13.488 13.488 591 H ILE 76 H ILE 76 -33.334 11.281 11.281 592 HA ILE 76 HA ILE 76 -35.397 10.253 10.253 593 HB ILE 76 HB ILE 76 -34.096 9.084 9.084 594 1HG1 ILE 76 2HG1 ILE 76 -33.597 11.500 11.500 595 2HG1 ILE 76 1HG1 ILE 76 -34.791 11.146 11.146 596 1HG2 ILE 76 3HG2 ILE 76 -36.361 8.295 8.295 597 2HG2 ILE 76 2HG2 ILE 76 -36.932 9.963 9.963 598 3HG2 ILE 76 1HG2 ILE 76 -36.377 9.215 9.215 599 1HD1 ILE 76 1HD1 ILE 76 -36.597 11.810 11.810 600 2HD1 ILE 76 3HD1 ILE 76 -35.362 12.243 12.243 601 3HD1 ILE 76 2HD1 ILE 76 -35.478 13.130 13.130 602 H THR 77 H THR 77 -36.389 8.198 8.198 603 HA THR 77 HA THR 77 -36.481 6.022 6.022 604 HB THR 77 HB THR 77 -34.007 5.671 5.671 605 HG1 THR 77 HG1 THR 77 -36.757 5.237 5.237 606 1HG2 THR 77 2HG2 THR 77 -35.752 3.824 3.824 607 2HG2 THR 77 1HG2 THR 77 -35.218 3.279 3.279 608 3HG2 THR 77 3HG2 THR 77 -34.030 3.707 3.707 609 HA PRO 78 HA PRO 78 -33.069 7.157 7.157 610 1HB PRO 78 2HB PRO 78 -34.698 7.703 7.703 611 2HB PRO 78 1HB PRO 78 -34.165 8.922 8.922 612 1HG PRO 78 2HG PRO 78 -36.839 7.639 7.639 613 2HG PRO 78 1HG PRO 78 -36.416 9.222 9.222 614 1HD PRO 78 2HD PRO 78 -37.049 6.915 6.915 615 2HD PRO 78 1HD PRO 78 -36.294 8.391 8.391 616 H ARG 79 H ARG 79 -32.165 5.589 5.589 617 HA ARG 79 HA ARG 79 -33.706 3.129 3.129 618 1HB ARG 79 2HB ARG 79 -30.838 3.819 3.819 619 2HB ARG 79 1HB ARG 79 -31.228 2.438 2.438 620 1HG ARG 79 2HG ARG 79 -32.702 1.614 1.614 621 2HG ARG 79 1HG ARG 79 -31.929 2.847 2.847 622 1HD ARG 79 2HD ARG 79 -29.697 1.820 1.820 623 2HD ARG 79 1HD ARG 79 -30.675 0.439 0.439 624 HE ARG 79 HE ARG 79 -31.495 0.731 0.731 625 1HH1 ARG 79 1HH2 ARG 79 -29.544 1.982 1.982 626 2HH1 ARG 79 2HH2 ARG 79 -28.213 0.886 0.886 627 1HH2 ARG 79 2HH1 ARG 79 -29.288 -1.204 -1.204 628 2HH2 ARG 79 1HH1 ARG 79 -28.065 -0.920 -0.920 629 HA PRO 80 HA PRO 80 -32.217 6.420 6.420 630 1HB PRO 80 2HB PRO 80 -30.528 7.398 7.398 631 2HB PRO 80 1HB PRO 80 -32.275 7.693 7.693 632 1HG PRO 80 2HG PRO 80 -30.696 5.847 5.847 633 2HG PRO 80 1HG PRO 80 -32.213 6.696 6.696 634 1HD PRO 80 2HD PRO 80 -32.008 3.987 3.987 635 2HD PRO 80 1HD PRO 80 -33.489 4.959 4.959 636 H CYS 81 H CYS 81 -29.892 7.332 7.332 637 HA CYS 81 HA CYS 81 -27.671 7.047 7.047 638 1HB CYS 81 2HB CYS 81 -27.859 5.500 5.500 639 2HB CYS 81 1HB CYS 81 -27.258 4.356 4.356 640 HA PRO 82 HA PRO 82 -29.337 3.984 3.984 641 1HB PRO 82 2HB PRO 82 -30.093 5.808 5.808 642 2HB PRO 82 1HB PRO 82 -31.191 5.180 5.180 643 1HG PRO 82 2HG PRO 82 -29.896 7.861 7.861 644 2HG PRO 82 1HG PRO 82 -31.413 7.393 7.393 645 1HD PRO 82 2HD PRO 82 -28.952 7.862 7.862 646 2HD PRO 82 1HD PRO 82 -30.378 7.069 7.069 647 H TYR 83 H TYR 83 -27.600 3.186 3.186 648 HA TYR 83 HA TYR 83 -25.618 5.128 5.128 649 1HB TYR 83 2HB TYR 83 -25.221 2.501 2.501 650 2HB TYR 83 1HB TYR 83 -24.076 2.984 2.984 651 HD1 TYR 83 HD2 TYR 83 -25.966 4.868 4.868 652 HD2 TYR 83 HD1 TYR 83 -22.176 3.872 3.872 653 HE1 TYR 83 HE2 TYR 83 -24.851 6.441 6.441 654 HE2 TYR 83 HE1 TYR 83 -21.055 5.448 5.448 655 HH TYR 83 HH TYR 83 -22.290 6.534 6.534 656 H SER 84 H SER 84 -24.975 4.951 4.951 657 HA SER 84 HA SER 84 -26.207 2.780 2.780 658 1HB SER 84 2HB SER 84 -25.894 4.402 4.402 659 2HB SER 84 1HB SER 84 -26.969 5.027 5.027 660 HG SER 84 HG SER 84 -25.283 6.493 6.493 661 H SER 85 H SER 85 -24.758 1.412 1.412 662 HA SER 85 HA SER 85 -21.874 1.911 1.911 663 1HB SER 85 2HB SER 85 -21.608 -0.475 -0.475 664 2HB SER 85 1HB SER 85 -22.797 -0.259 -0.259 665 HG SER 85 HG SER 85 -23.356 -1.660 -1.660 666 H ARG 86 H ARG 86 -20.365 2.057 2.057 667 HA ARG 86 HA ARG 86 -21.002 1.571 1.571 668 1HB ARG 86 2HB ARG 86 -21.650 4.026 4.026 669 2HB ARG 86 1HB ARG 86 -19.905 4.292 4.292 670 1HG ARG 86 2HG ARG 86 -19.636 3.848 3.848 671 2HG ARG 86 1HG ARG 86 -21.122 2.900 2.900 672 1HD ARG 86 2HD ARG 86 -22.485 4.883 4.883 673 2HD ARG 86 1HD ARG 86 -21.078 5.884 5.884 674 HE ARG 86 HE ARG 86 -20.533 4.718 4.718 675 1HH1 ARG 86 1HH2 ARG 86 -23.184 4.756 4.756 676 2HH1 ARG 86 2HH2 ARG 86 -23.506 6.402 6.402 677 1HH2 ARG 86 2HH1 ARG 86 -20.864 7.686 7.686 678 2HH2 ARG 86 1HH1 ARG 86 -22.197 8.057 8.057 679 H THR 87 H THR 87 -19.193 0.672 0.672 680 HA THR 87 HA THR 87 -16.584 1.027 1.027 681 HB THR 87 HB THR 87 -17.232 -1.172 -1.172 682 HG1 THR 87 HG1 THR 87 -18.775 -1.322 -1.322 683 1HG2 THR 87 1HG2 THR 87 -14.860 -0.556 -0.556 684 2HG2 THR 87 3HG2 THR 87 -15.431 -1.322 -1.322 685 3HG2 THR 87 2HG2 THR 87 -15.362 -2.244 -2.244 686 H GLU 88 H GLU 88 -14.679 1.413 1.413 687 HA GLU 88 HA GLU 88 -14.570 1.551 1.551 688 1HB GLU 88 2HB GLU 88 -14.557 3.988 3.988 689 2HB GLU 88 1HB GLU 88 -16.100 3.467 3.467 690 1HG GLU 88 2HG GLU 88 -15.461 4.187 4.187 691 2HG GLU 88 1HG GLU 88 -13.815 4.529 4.529 692 H THR 89 H THR 89 -12.663 3.452 3.452 693 HA THR 89 HA THR 89 -10.245 2.285 2.285 694 HB THR 89 HB THR 89 -10.756 5.116 5.116 695 HG1 THR 89 HG1 THR 89 -10.920 4.190 4.190 696 1HG2 THR 89 3HG2 THR 89 -8.378 3.934 3.934 697 2HG2 THR 89 2HG2 THR 89 -8.213 3.996 3.996 698 3HG2 THR 89 1HG2 THR 89 -8.545 5.469 5.469 699 H ASN 90 H ASN 90 -8.831 2.779 2.779 700 HA ASN 90 HA ASN 90 -9.924 4.682 4.682 701 1HB ASN 90 2HB ASN 90 -9.706 2.299 2.299 702 2HB ASN 90 1HB ASN 90 -7.970 2.444 2.444 703 1HD2 ASN 90 2HD2 ASN 90 -9.436 4.993 4.993 704 2HD2 ASN 90 1HD2 ASN 90 -10.212 4.906 4.906 705 H TYR 91 H TYR 91 -8.998 6.512 6.512 706 HA TYR 91 HA TYR 91 -6.016 6.723 6.723 707 1HB TYR 91 2HB TYR 91 -7.692 7.560 7.560 708 2HB TYR 91 1HB TYR 91 -7.717 8.992 8.992 709 HD1 TYR 91 HD1 TYR 91 -5.220 9.580 9.580 710 HD2 TYR 91 HD2 TYR 91 -6.100 7.558 7.558 711 HE1 TYR 91 HE1 TYR 91 -3.015 10.265 10.265 712 HE2 TYR 91 HE2 TYR 91 -3.896 8.247 8.247 713 HH TYR 91 HH TYR 91 -2.223 10.436 10.436 714 H ILE 92 H ILE 92 -5.612 7.083 7.083 715 HA ILE 92 HA ILE 92 -7.066 9.400 9.400 716 HB ILE 92 HB ILE 92 -6.999 8.103 8.103 717 1HG1 ILE 92 2HG1 ILE 92 -6.814 5.651 5.651 718 2HG1 ILE 92 1HG1 ILE 92 -5.332 6.409 6.409 719 1HG2 ILE 92 1HG2 ILE 92 -9.013 8.424 8.424 720 2HG2 ILE 92 3HG2 ILE 92 -8.642 6.861 6.861 721 3HG2 ILE 92 2HG2 ILE 92 -9.061 6.958 6.958 722 1HD1 ILE 92 1HD1 ILE 92 -6.852 6.357 6.357 723 2HD1 ILE 92 3HD1 ILE 92 -7.357 4.870 4.870 724 3HD1 ILE 92 2HD1 ILE 92 -5.655 5.138 5.138 725 H CYS 93 H CYS 93 -5.975 9.828 9.828 726 HA CYS 93 HA CYS 93 -3.013 10.052 10.052 727 1HB CYS 93 2HB CYS 93 -4.475 12.186 12.186 728 2HB CYS 93 1HB CYS 93 -4.687 11.873 11.873 729 H VAL 94 H VAL 94 -1.888 8.809 8.809 730 HA VAL 94 HA VAL 94 -3.143 8.084 8.084 731 HB VAL 94 HB VAL 94 -2.734 6.240 6.240 732 1HG1 VAL 94 3HG1 VAL 94 -0.483 7.138 7.138 733 2HG1 VAL 94 2HG1 VAL 94 0.147 6.570 6.570 734 3HG1 VAL 94 1HG1 VAL 94 -0.505 5.416 5.416 735 1HG2 VAL 94 3HG2 VAL 94 -2.817 6.139 6.139 736 2HG2 VAL 94 2HG2 VAL 94 -2.413 4.706 4.706 737 3HG2 VAL 94 1HG2 VAL 94 -1.132 5.652 5.652 738 H LYS 95 H LYS 95 -1.421 7.506 7.506 739 HA LYS 95 HA LYS 95 0.978 9.204 9.204 740 1HB LYS 95 2HB LYS 95 -1.074 9.234 9.234 741 2HB LYS 95 1HB LYS 95 0.599 9.668 9.668 742 1HG LYS 95 2HG LYS 95 0.324 11.164 11.164 743 2HG LYS 95 1HG LYS 95 -1.384 11.070 11.070 744 1HD LYS 95 2HD LYS 95 -0.763 11.812 11.812 745 2HD LYS 95 1HD LYS 95 0.876 12.093 12.093 746 1HE LYS 95 2HE LYS 95 -0.723 13.385 13.385 747 2HE LYS 95 1HE LYS 95 -1.525 13.725 13.725 748 1HZ LYS 95 3HZ LYS 95 1.389 14.068 14.068 749 2HZ LYS 95 2HZ LYS 95 0.271 15.317 15.317 750 3HZ LYS 95 1HZ LYS 95 0.437 14.648 14.648 751 H CYS 96 H CYS 96 2.883 8.255 8.255 752 HA CYS 96 HA CYS 96 2.494 5.471 5.471 753 1HB CYS 96 2HB CYS 96 5.077 6.459 6.459 754 2HB CYS 96 1HB CYS 96 4.451 4.813 4.813 755 H GLU 97 H GLU 97 2.992 5.042 5.042 756 HA GLU 97 HA GLU 97 5.347 6.310 6.310 757 1HB GLU 97 2HB GLU 97 3.469 7.407 7.407 758 2HB GLU 97 1HB GLU 97 2.613 5.877 5.877 759 1HG GLU 97 2HG GLU 97 4.128 5.130 5.130 760 2HG GLU 97 1HG GLU 97 5.348 6.321 6.321 761 H ASN 98 H ASN 98 6.537 4.641 4.641 762 HA ASN 98 HA ASN 98 7.263 2.376 2.376 763 1HB ASN 98 2HB ASN 98 4.335 2.346 2.346 764 2HB ASN 98 1HB ASN 98 5.153 0.796 0.796 765 1HD2 ASN 98 2HD2 ASN 98 5.831 2.996 2.996 766 2HD2 ASN 98 1HD2 ASN 98 4.739 3.506 3.506 767 H GLN 99 H GLN 99 6.565 3.476 3.476 768 HA GLN 99 HA GLN 99 6.278 3.019 3.019 769 1HB GLN 99 2HB GLN 99 7.291 0.921 0.921 770 2HB GLN 99 1HB GLN 99 8.317 1.761 1.761 771 1HG GLN 99 2HG GLN 99 7.760 0.218 0.218 772 2HG GLN 99 1HG GLN 99 6.472 -0.505 -0.505 773 1HE2 GLN 99 2HE2 GLN 99 10.270 -1.810 -1.810 774 2HE2 GLN 99 1HE2 GLN 99 9.847 -0.651 -0.651 775 H TYR 100 H TYR 100 4.033 1.840 1.840 776 HA TYR 100 HA TYR 100 2.548 0.532 0.532 777 1HB TYR 100 2HB TYR 100 1.796 -1.056 -1.056 778 2HB TYR 100 1HB TYR 100 2.939 -0.443 -0.443 779 HD1 TYR 100 HD2 TYR 100 -0.542 0.345 0.345 780 HD2 TYR 100 HD1 TYR 100 2.097 0.166 0.166 781 HE1 TYR 100 HE2 TYR 100 -2.408 1.025 1.025 782 HE2 TYR 100 HE1 TYR 100 0.226 0.838 0.838 783 HH TYR 100 HH TYR 100 -2.632 2.139 2.139 784 HA PRO 101 HA PRO 101 0.261 4.305 4.305 785 1HB PRO 101 2HB PRO 101 -2.252 3.379 3.379 786 2HB PRO 101 1HB PRO 101 -0.921 3.644 3.644 787 1HG PRO 101 2HG PRO 101 -1.883 1.064 1.064 788 2HG PRO 101 1HG PRO 101 -1.257 1.370 1.370 789 1HD PRO 101 2HD PRO 101 0.272 0.210 0.210 790 2HD PRO 101 1HD PRO 101 0.969 1.223 1.223 791 H VAL 102 H VAL 102 0.451 4.670 4.670 792 HA VAL 102 HA VAL 102 -1.449 3.443 3.443 793 HB VAL 102 HB VAL 102 0.690 5.569 5.569 794 1HG1 VAL 102 2HG1 VAL 102 -1.012 4.093 4.093 795 2HG1 VAL 102 1HG1 VAL 102 0.402 5.065 5.065 796 3HG1 VAL 102 3HG1 VAL 102 -1.017 5.828 5.828 797 1HG2 VAL 102 3HG2 VAL 102 0.999 2.862 2.862 798 2HG2 VAL 102 2HG2 VAL 102 2.156 3.888 3.888 799 3HG2 VAL 102 1HG2 VAL 102 0.986 2.949 2.949 800 H HIS 103 H HIS 103 -1.190 6.358 6.358 801 HA HIS 103 HA HIS 103 -3.660 7.367 7.367 802 1HB HIS 103 2HB HIS 103 -2.173 9.633 9.633 803 2HB HIS 103 1HB HIS 103 -2.570 9.235 9.235 804 HD1 HIS 103 HD1 HIS 103 -0.495 9.207 9.207 805 HD2 HIS 103 HD2 HIS 103 0.278 7.798 7.798 806 HE1 HIS 103 HE1 HIS 103 1.953 8.503 8.503 807 H PHE 104 H PHE 104 -5.151 8.293 8.293 808 HA PHE 104 HA PHE 104 -4.239 8.062 8.062 809 1HB PHE 104 2HB PHE 104 -6.408 6.682 6.682 810 2HB PHE 104 1HB PHE 104 -7.097 7.831 7.831 811 HD1 PHE 104 HD2 PHE 104 -5.538 8.083 8.083 812 HD2 PHE 104 HD1 PHE 104 -5.877 4.574 4.574 813 HE1 PHE 104 HE2 PHE 104 -4.684 6.719 6.719 814 HE2 PHE 104 HE1 PHE 104 -5.024 3.198 3.198 815 HZ PHE 104 HZ PHE 104 -4.440 4.269 4.269 816 H ALA 105 H ALA 105 -4.400 9.831 9.831 817 HA ALA 105 HA ALA 105 -5.310 12.337 12.337 818 1HB ALA 105 3HB ALA 105 -3.973 11.508 11.508 819 2HB ALA 105 2HB ALA 105 -4.948 12.973 12.973 820 3HB ALA 105 1HB ALA 105 -3.633 12.867 12.867 821 H GLY 106 H GLY 106 -6.621 10.183 10.183 822 1HA GLY 106 2HA GLY 106 -9.190 10.093 10.093 823 2HA GLY 106 1HA GLY 106 -9.111 11.845 11.845 824 H ILE 107 H ILE 107 -9.843 12.361 12.361 825 HA ILE 107 HA ILE 107 -9.890 10.673 10.673 826 HB ILE 107 HB ILE 107 -11.336 12.692 12.692 827 1HG1 ILE 107 2HG1 ILE 107 -10.028 13.056 13.056 828 2HG1 ILE 107 1HG1 ILE 107 -10.793 11.510 11.510 829 1HG2 ILE 107 2HG2 ILE 107 -9.043 14.064 14.064 830 2HG2 ILE 107 1HG2 ILE 107 -9.331 14.456 14.456 831 3HG2 ILE 107 3HG2 ILE 107 -10.552 14.835 14.835 832 1HD1 ILE 107 2HD1 ILE 107 -12.258 14.086 14.086 833 2HD1 ILE 107 1HD1 ILE 107 -12.237 13.390 13.390 834 3HD1 ILE 107 3HD1 ILE 107 -12.917 12.473 12.473 835 H GLY 108 H GLY 108 -8.792 11.177 11.177 836 1HA GLY 108 2HA GLY 108 -6.018 10.809 10.809 837 2HA GLY 108 1HA GLY 108 -6.876 11.440 11.440 838 H ARG 109 H ARG 109 -7.726 13.899 13.899 839 HA ARG 109 HA ARG 109 -5.378 15.513 15.513 840 1HB ARG 109 2HB ARG 109 -8.280 16.046 16.046 841 2HB ARG 109 1HB ARG 109 -7.116 17.336 17.336 842 1HG ARG 109 2HG ARG 109 -7.289 15.796 15.796 843 2HG ARG 109 1HG ARG 109 -8.085 17.344 17.344 844 1HD ARG 109 2HD ARG 109 -5.222 17.299 17.299 845 2HD ARG 109 1HD ARG 109 -5.546 17.077 17.077 846 HE ARG 109 HE ARG 109 -6.102 19.357 19.357 847 1HH1 ARG 109 2HH1 ARG 109 -5.302 18.740 18.740 848 2HH1 ARG 109 1HH1 ARG 109 -6.331 19.943 19.943 849 1HH2 ARG 109 1HH2 ARG 109 -7.990 20.630 20.630 850 2HH2 ARG 109 2HH2 ARG 109 -7.856 21.016 21.016 851 H CYS 110 H CYS 110 -3.910 15.206 15.206 852 HA CYS 110 HA CYS 110 -4.490 14.850 14.850 853 1HB CYS 110 2HB CYS 110 -2.032 16.119 16.119 854 2HB CYS 110 1HB CYS 110 -2.121 15.432 15.432 855 HA PRO 111 HA PRO 111 -5.602 19.023 19.023 856 1HB PRO 111 2HB PRO 111 -4.957 19.032 19.032 857 2HB PRO 111 1HB PRO 111 -6.392 18.221 18.221 858 1HG PRO 111 2HG PRO 111 -3.825 17.028 17.028 859 2HG PRO 111 1HG PRO 111 -5.454 16.331 16.331 860 1HD PRO 111 1HD PRO 111 -3.428 15.729 15.729 861 2HD PRO 111 2HD PRO 111 -5.160 15.384 15.384 Start of MODEL 13 1 HN PCA 1 HN PCA 1 -4.634 4.165 4.165 2 HA PCA 1 HA PCA 1 -2.371 5.352 5.352 3 1HB PCA 1 1HB PCA 1 -2.191 6.599 6.599 4 2HB PCA 1 2HB PCA 1 -2.449 5.162 5.162 5 1HG PCA 1 1HG PCA 1 -4.317 7.266 7.266 6 2HG PCA 1 2HG PCA 1 -4.567 5.855 5.855 7 H ASN 2 H ASN 2 -4.116 2.743 2.743 8 HA ASN 2 HA ASN 2 -1.622 1.177 1.177 9 1HB ASN 2 2HB ASN 2 -3.164 1.241 1.241 10 2HB ASN 2 1HB ASN 2 -4.484 0.691 0.691 11 1HD2 ASN 2 2HD2 ASN 2 -3.743 -2.627 -2.627 12 2HD2 ASN 2 1HD2 ASN 2 -4.918 -1.420 -1.420 13 H TRP 3 H TRP 3 -1.501 -0.992 -0.992 14 HA TRP 3 HA TRP 3 -2.304 -1.167 -1.167 15 1HB TRP 3 2HB TRP 3 -0.458 -2.472 -2.472 16 2HB TRP 3 1HB TRP 3 -1.485 -3.726 -3.726 17 HD1 TRP 3 HD1 TRP 3 1.636 -2.264 -2.264 18 HE1 TRP 3 HE1 TRP 3 2.406 -2.470 -2.470 19 HE3 TRP 3 HE3 TRP 3 -2.863 -3.199 -3.199 20 HZ2 TRP 3 HZ2 TRP 3 1.303 -2.964 -2.964 21 HZ3 TRP 3 HZ3 TRP 3 -2.940 -3.547 -3.547 22 HH2 TRP 3 HH2 TRP 3 -0.863 -3.434 -3.434 23 H ALA 4 H ALA 4 -3.595 -2.498 -2.498 24 HA ALA 4 HA ALA 4 -5.261 -4.537 -4.537 25 1HB ALA 4 3HB ALA 4 -4.439 -4.168 -4.168 26 2HB ALA 4 2HB ALA 4 -5.989 -3.340 -3.340 27 3HB ALA 4 1HB ALA 4 -5.933 -5.032 -5.032 28 H THR 5 H THR 5 -6.156 -1.454 -1.454 29 HA THR 5 HA THR 5 -8.868 -1.448 -1.448 30 HB THR 5 HB THR 5 -7.172 0.985 0.985 31 HG1 THR 5 HG1 THR 5 -6.984 -0.290 -0.290 32 1HG2 THR 5 2HG2 THR 5 -9.539 1.135 1.135 33 2HG2 THR 5 1HG2 THR 5 -10.105 0.565 0.565 34 3HG2 THR 5 3HG2 THR 5 -9.209 2.079 2.079 35 H PHE 6 H PHE 6 -5.816 -0.401 -0.401 36 HA PHE 6 HA PHE 6 -7.006 0.998 0.998 37 1HB PHE 6 2HB PHE 6 -4.759 1.555 1.555 38 2HB PHE 6 1HB PHE 6 -4.220 -0.033 -0.033 39 HD1 PHE 6 HD2 PHE 6 -4.420 -0.631 -0.631 40 HD2 PHE 6 HD1 PHE 6 -4.914 3.405 3.405 41 HE1 PHE 6 HE2 PHE 6 -4.023 0.230 0.230 42 HE2 PHE 6 HE1 PHE 6 -4.518 4.277 4.277 43 HZ PHE 6 HZ PHE 6 -4.072 2.669 2.669 44 H GLN 7 H GLN 7 -6.214 -2.288 -2.288 45 HA GLN 7 HA GLN 7 -5.970 -3.354 -3.354 46 1HB GLN 7 2HB GLN 7 -5.456 -4.634 -4.634 47 2HB GLN 7 1HB GLN 7 -7.191 -4.734 -4.734 48 1HG GLN 7 2HG GLN 7 -6.686 -6.758 -6.758 49 2HG GLN 7 1HG GLN 7 -7.363 -5.726 -5.726 50 1HE2 GLN 7 2HE2 GLN 7 -3.436 -6.833 -6.833 51 2HE2 GLN 7 1HE2 GLN 7 -4.371 -7.190 -7.190 52 H GLN 8 H GLN 8 -8.684 -2.605 -2.605 53 HA GLN 8 HA GLN 8 -10.711 -3.533 -3.533 54 1HB GLN 8 2HB GLN 8 -10.671 -2.347 -2.347 55 2HB GLN 8 1HB GLN 8 -11.995 -1.762 -1.762 56 1HG GLN 8 2HG GLN 8 -12.842 -3.709 -3.709 57 2HG GLN 8 1HG GLN 8 -12.443 -4.219 -4.219 58 1HE2 GLN 8 2HE2 GLN 8 -10.369 -6.767 -6.767 59 2HE2 GLN 8 1HE2 GLN 8 -11.510 -6.266 -6.266 60 H LYS 9 H LYS 9 -9.090 -0.535 -0.535 61 HA LYS 9 HA LYS 9 -10.557 1.446 1.446 62 1HB LYS 9 2HB LYS 9 -8.510 1.928 1.928 63 2HB LYS 9 1HB LYS 9 -7.525 1.206 1.206 64 1HG LYS 9 2HG LYS 9 -7.413 3.496 3.496 65 2HG LYS 9 1HG LYS 9 -8.675 2.938 2.938 66 1HD LYS 9 2HD LYS 9 -10.176 3.472 3.472 67 2HD LYS 9 1HD LYS 9 -8.895 4.666 4.666 68 1HE LYS 9 2HE LYS 9 -9.793 5.953 5.953 69 2HE LYS 9 1HE LYS 9 -9.715 4.622 4.622 70 1HZ LYS 9 1HZ LYS 9 -11.786 3.776 3.776 71 2HZ LYS 9 3HZ LYS 9 -11.908 5.343 5.343 72 3HZ LYS 9 2HZ LYS 9 -11.963 5.106 5.106 73 H HIS 10 H HIS 10 -8.018 -0.435 -0.435 74 HA HIS 10 HA HIS 10 -9.431 0.407 0.407 75 1HB HIS 10 2HB HIS 10 -6.526 -0.176 -0.176 76 2HB HIS 10 1HB HIS 10 -7.194 -0.219 -0.219 77 HD1 HIS 10 HD1 HIS 10 -8.171 1.928 1.928 78 HD2 HIS 10 HD2 HIS 10 -6.654 2.408 2.408 79 HE1 HIS 10 HE1 HIS 10 -8.359 4.388 4.388 80 H ILE 11 H ILE 11 -9.211 -2.386 -2.386 81 HA ILE 11 HA ILE 11 -9.709 -3.958 -3.958 82 HB ILE 11 HB ILE 11 -8.394 -5.011 -5.011 83 1HG1 ILE 11 2HG1 ILE 11 -6.994 -3.412 -3.412 84 2HG1 ILE 11 1HG1 ILE 11 -6.347 -5.048 -5.048 85 1HG2 ILE 11 2HG2 ILE 11 -9.257 -6.260 -6.260 86 2HG2 ILE 11 1HG2 ILE 11 -7.850 -6.897 -6.897 87 3HG2 ILE 11 3HG2 ILE 11 -9.426 -6.879 -6.879 88 1HD1 ILE 11 2HD1 ILE 11 -8.232 -4.426 -4.426 89 2HD1 ILE 11 1HD1 ILE 11 -6.719 -3.527 -3.527 90 3HD1 ILE 11 3HD1 ILE 11 -6.701 -5.288 -5.288 91 H ILE 12 H ILE 12 -11.957 -3.081 -3.081 92 HA ILE 12 HA ILE 12 -13.348 -4.991 -4.991 93 HB ILE 12 HB ILE 12 -14.654 -2.719 -2.719 94 1HG1 ILE 12 2HG1 ILE 12 -14.389 -1.608 -1.608 95 2HG1 ILE 12 1HG1 ILE 12 -12.938 -2.609 -2.609 96 1HG2 ILE 12 3HG2 ILE 12 -15.760 -4.716 -4.716 97 2HG2 ILE 12 2HG2 ILE 12 -15.450 -3.590 -3.590 98 3HG2 ILE 12 1HG2 ILE 12 -16.456 -3.096 -3.096 99 1HD1 ILE 12 2HD1 ILE 12 -13.365 -1.112 -1.112 100 2HD1 ILE 12 1HD1 ILE 12 -13.035 -0.113 -0.113 101 3HD1 ILE 12 3HD1 ILE 12 -11.883 -1.355 -1.355 102 H ASN 13 H ASN 13 -12.309 -6.345 -6.345 103 HA ASN 13 HA ASN 13 -13.400 -6.360 -6.360 104 1HB ASN 13 2HB ASN 13 -12.810 -8.868 -8.868 105 2HB ASN 13 1HB ASN 13 -11.506 -7.721 -7.721 106 1HD2 ASN 13 2HD2 ASN 13 -10.727 -9.205 -9.205 107 2HD2 ASN 13 1HD2 ASN 13 -10.200 -8.364 -8.364 108 H THR 14 H THR 14 -15.627 -5.911 -5.911 109 HA THR 14 HA THR 14 -17.359 -8.248 -8.248 110 HB THR 14 HB THR 14 -18.927 -7.274 -7.274 111 HG1 THR 14 HG1 THR 14 -17.982 -5.293 -5.293 112 1HG2 THR 14 1HG2 THR 14 -17.270 -9.275 -9.275 113 2HG2 THR 14 3HG2 THR 14 -16.338 -8.170 -8.170 114 3HG2 THR 14 2HG2 THR 14 -17.987 -8.598 -8.598 115 HA PRO 15 HA PRO 15 -18.481 -4.262 -4.262 116 1HB PRO 15 2HB PRO 15 -17.882 -5.099 -5.099 117 2HB PRO 15 1HB PRO 15 -16.740 -4.242 -4.242 118 1HG PRO 15 2HG PRO 15 -16.816 -7.137 -7.137 119 2HG PRO 15 1HG PRO 15 -15.432 -6.126 -6.126 120 1HD PRO 15 2HD PRO 15 -16.729 -7.963 -7.963 121 2HD PRO 15 1HD PRO 15 -15.619 -6.675 -6.675 122 H ILE 16 H ILE 16 -20.584 -5.132 -5.132 123 HA ILE 16 HA ILE 16 -22.048 -6.617 -6.617 124 HB ILE 16 HB ILE 16 -23.193 -6.706 -6.706 125 1HG1 ILE 16 2HG1 ILE 16 -20.862 -8.538 -8.538 126 2HG1 ILE 16 1HG1 ILE 16 -20.670 -7.088 -7.088 127 1HG2 ILE 16 2HG2 ILE 16 -23.111 -8.306 -8.306 128 2HG2 ILE 16 1HG2 ILE 16 -23.112 -9.261 -9.261 129 3HG2 ILE 16 3HG2 ILE 16 -24.413 -8.111 -8.111 130 1HD1 ILE 16 1HD1 ILE 16 -22.643 -9.307 -9.307 131 2HD1 ILE 16 3HD1 ILE 16 -21.060 -9.144 -9.144 132 3HD1 ILE 16 2HD1 ILE 16 -22.290 -7.906 -7.906 133 H ILE 17 H ILE 17 -24.632 -6.179 -6.179 134 HA ILE 17 HA ILE 17 -24.901 -3.231 -3.231 135 HB ILE 17 HB ILE 17 -27.349 -3.831 -3.831 136 1HG1 ILE 17 2HG1 ILE 17 -26.266 -6.649 -6.649 137 2HG1 ILE 17 1HG1 ILE 17 -27.095 -6.083 -6.083 138 1HG2 ILE 17 3HG2 ILE 17 -25.239 -5.101 -5.101 139 2HG2 ILE 17 2HG2 ILE 17 -26.883 -4.701 -4.701 140 3HG2 ILE 17 1HG2 ILE 17 -25.757 -3.416 -3.416 141 1HD1 ILE 17 1HD1 ILE 17 -28.264 -5.978 -5.978 142 2HD1 ILE 17 3HD1 ILE 17 -28.631 -7.227 -7.227 143 3HD1 ILE 17 2HD1 ILE 17 -29.090 -5.552 -5.552 144 H ASN 18 H ASN 18 -24.092 -4.457 -4.457 145 HA ASN 18 HA ASN 18 -26.205 -3.276 -3.276 146 1HB ASN 18 2HB ASN 18 -24.815 -5.882 -5.882 147 2HB ASN 18 1HB ASN 18 -26.194 -5.130 -5.130 148 1HD2 ASN 18 2HD2 ASN 18 -28.568 -6.625 -6.625 149 2HD2 ASN 18 1HD2 ASN 18 -28.264 -5.686 -5.686 150 H CYS 19 H CYS 19 -24.857 -1.493 -1.493 151 HA CYS 19 HA CYS 19 -22.033 -1.837 -1.837 152 1HB CYS 19 2HB CYS 19 -23.723 0.654 0.654 153 2HB CYS 19 1HB CYS 19 -21.967 0.551 0.551 154 H ASN 20 H ASN 20 -24.966 -1.964 -1.964 155 HA ASN 20 HA ASN 20 -23.638 -1.209 -1.209 156 1HB ASN 20 2HB ASN 20 -25.805 -2.069 -2.069 157 2HB ASN 20 1HB ASN 20 -25.975 -0.714 -0.714 158 1HD2 ASN 20 2HD2 ASN 20 -27.677 -4.297 -4.297 159 2HD2 ASN 20 1HD2 ASN 20 -26.719 -4.117 -4.117 160 H THR 21 H THR 21 -24.962 -4.271 -4.271 161 HA THR 21 HA THR 21 -24.176 -6.007 -6.007 162 HB THR 21 HB THR 21 -23.797 -7.619 -7.619 163 HG1 THR 21 HG1 THR 21 -24.038 -5.707 -5.707 164 1HG2 THR 21 1HG2 THR 21 -26.134 -6.707 -6.707 165 2HG2 THR 21 3HG2 THR 21 -26.520 -7.508 -7.508 166 3HG2 THR 21 2HG2 THR 21 -25.551 -8.342 -8.342 167 H ILE 22 H ILE 22 -22.269 -4.590 -4.590 168 HA ILE 22 HA ILE 22 -19.899 -6.191 -6.191 169 HB ILE 22 HB ILE 22 -18.779 -4.825 -4.825 170 1HG1 ILE 22 2HG1 ILE 22 -21.427 -3.354 -3.354 171 2HG1 ILE 22 1HG1 ILE 22 -19.983 -2.683 -2.683 172 1HG2 ILE 22 3HG2 ILE 22 -20.301 -6.779 -6.779 173 2HG2 ILE 22 2HG2 ILE 22 -21.557 -5.598 -5.598 174 3HG2 ILE 22 1HG2 ILE 22 -20.064 -5.623 -5.623 175 1HD1 ILE 22 2HD1 ILE 22 -19.004 -3.582 -3.582 176 2HD1 ILE 22 1HD1 ILE 22 -20.613 -3.008 -3.008 177 3HD1 ILE 22 3HD1 ILE 22 -19.469 -1.918 -1.918 178 H MET 23 H MET 23 -21.069 -2.890 -2.890 179 HA MET 23 HA MET 23 -18.648 -2.443 -2.443 180 1HB MET 23 2HB MET 23 -18.964 -0.098 -0.098 181 2HB MET 23 1HB MET 23 -19.280 -0.745 -0.745 182 1HG MET 23 2HG MET 23 -21.270 0.306 0.306 183 2HG MET 23 1HG MET 23 -21.771 -0.782 -0.782 184 1HE MET 23 2HE MET 23 -23.308 0.575 0.575 185 2HE MET 23 1HE MET 23 -22.667 0.515 0.515 186 3HE MET 23 3HE MET 23 -23.164 2.060 2.060 187 H ASP 24 H ASP 24 -20.599 -4.204 -4.204 188 HA ASP 24 HA ASP 24 -22.297 -2.775 -2.775 189 1HB ASP 24 2HB ASP 24 -22.021 -5.572 -5.572 190 2HB ASP 24 1HB ASP 24 -22.631 -5.386 -5.386 191 H ASN 25 H ASN 25 -19.705 -2.133 -2.133 192 HA ASN 25 HA ASN 25 -19.095 -3.663 -3.663 193 1HB ASN 25 2HB ASN 25 -17.406 -4.075 -4.075 194 2HB ASN 25 1HB ASN 25 -17.013 -2.369 -2.369 195 1HD2 ASN 25 2HD2 ASN 25 -16.215 -4.475 -4.475 196 2HD2 ASN 25 1HD2 ASN 25 -17.654 -4.786 -4.786 197 H ASN 26 H ASN 26 -17.971 -2.325 -2.325 198 HA ASN 26 HA ASN 26 -19.231 0.297 0.297 199 1HB ASN 26 2HB ASN 26 -17.892 0.419 0.419 200 2HB ASN 26 1HB ASN 26 -18.895 -1.024 -1.024 201 1HD2 ASN 26 2HD2 ASN 26 -14.827 -1.385 -1.385 202 2HD2 ASN 26 1HD2 ASN 26 -15.549 0.147 0.147 203 H ILE 27 H ILE 27 -16.378 -0.710 -0.710 204 HA ILE 27 HA ILE 27 -14.797 1.683 1.683 205 HB ILE 27 HB ILE 27 -13.211 0.810 0.810 206 1HG1 ILE 27 2HG1 ILE 27 -15.336 -1.250 -1.250 207 2HG1 ILE 27 1HG1 ILE 27 -14.880 0.109 0.109 208 1HG2 ILE 27 1HG2 ILE 27 -14.439 -0.972 -0.972 209 2HG2 ILE 27 3HG2 ILE 27 -13.331 -1.735 -1.735 210 3HG2 ILE 27 2HG2 ILE 27 -12.781 -0.392 -0.392 211 1HD1 ILE 27 1HD1 ILE 27 -12.441 -1.098 -1.098 212 2HD1 ILE 27 3HD1 ILE 27 -13.533 -2.459 -2.459 213 3HD1 ILE 27 2HD1 ILE 27 -13.318 -1.256 -1.256 214 H TYR 28 H TYR 28 -17.526 1.233 1.233 215 HA TYR 28 HA TYR 28 -16.673 3.323 3.323 216 1HB TYR 28 2HB TYR 28 -18.970 1.344 1.344 217 2HB TYR 28 1HB TYR 28 -18.457 2.481 2.481 218 HD1 TYR 28 HD2 TYR 28 -15.915 2.413 2.413 219 HD2 TYR 28 HD1 TYR 28 -18.048 -0.822 -0.822 220 HE1 TYR 28 HE2 TYR 28 -14.196 0.832 0.832 221 HE2 TYR 28 HE1 TYR 28 -16.316 -2.408 -2.408 222 HH TYR 28 HH TYR 28 -14.598 -2.368 -2.368 223 H ILE 29 H ILE 29 -17.373 4.312 4.312 224 HA ILE 29 HA ILE 29 -19.852 5.828 5.828 225 HB ILE 29 HB ILE 29 -19.591 4.456 4.456 226 1HG1 ILE 29 2HG1 ILE 29 -21.258 3.625 3.625 227 2HG1 ILE 29 1HG1 ILE 29 -19.862 2.753 2.753 228 1HG2 ILE 29 1HG2 ILE 29 -21.345 6.476 6.476 229 2HG2 ILE 29 3HG2 ILE 29 -22.260 5.080 5.080 230 3HG2 ILE 29 2HG2 ILE 29 -21.208 5.959 5.959 231 1HD1 ILE 29 3HD1 ILE 29 -21.900 3.329 3.329 232 2HD1 ILE 29 2HD1 ILE 29 -22.461 2.275 2.275 233 3HD1 ILE 29 1HD1 ILE 29 -21.044 1.827 1.827 234 H VAL 30 H VAL 30 -19.931 7.806 7.806 235 HA VAL 30 HA VAL 30 -17.488 8.711 8.711 236 HB VAL 30 HB VAL 30 -19.516 10.330 10.330 237 1HG1 VAL 30 3HG1 VAL 30 -16.993 11.031 11.031 238 2HG1 VAL 30 2HG1 VAL 30 -17.554 12.012 12.012 239 3HG1 VAL 30 1HG1 VAL 30 -18.573 11.815 11.815 240 1HG2 VAL 30 3HG2 VAL 30 -16.762 9.255 9.255 241 2HG2 VAL 30 2HG2 VAL 30 -18.265 8.984 8.984 242 3HG2 VAL 30 1HG2 VAL 30 -17.507 10.576 10.576 243 H GLY 31 H GLY 31 -18.090 10.554 10.554 244 1HA GLY 31 2HA GLY 31 -20.401 9.608 9.608 245 2HA GLY 31 1HA GLY 31 -19.158 10.731 10.731 246 H GLY 32 H GLY 32 -21.588 10.584 10.584 247 1HA GLY 32 2HA GLY 32 -22.704 13.180 13.180 248 2HA GLY 32 1HA GLY 32 -22.093 13.070 13.070 249 H GLN 33 H GLN 33 -22.939 10.940 10.940 250 HA GLN 33 HA GLN 33 -25.543 9.920 9.920 251 1HB GLN 33 2HB GLN 33 -25.410 12.310 12.310 252 2HB GLN 33 1HB GLN 33 -26.531 11.036 11.036 253 1HG GLN 33 2HG GLN 33 -27.200 11.146 11.146 254 2HG GLN 33 1HG GLN 33 -26.566 12.785 12.785 255 1HE2 GLN 33 2HE2 GLN 33 -30.251 12.193 12.193 256 2HE2 GLN 33 1HE2 GLN 33 -29.448 11.262 11.262 257 H CYS 34 H CYS 34 -24.496 10.798 10.798 258 HA CYS 34 HA CYS 34 -23.649 8.009 8.009 259 1HB CYS 34 2HB CYS 34 -26.210 8.604 8.604 260 2HB CYS 34 1HB CYS 34 -25.500 9.329 9.329 261 H LYS 35 H LYS 35 -21.867 8.053 8.053 262 HA LYS 35 HA LYS 35 -20.616 10.513 10.513 263 1HB LYS 35 2HB LYS 35 -19.854 7.839 7.839 264 2HB LYS 35 1HB LYS 35 -19.821 8.208 8.208 265 1HG LYS 35 2HG LYS 35 -18.410 10.182 10.182 266 2HG LYS 35 1HG LYS 35 -18.442 9.817 9.817 267 1HD LYS 35 2HD LYS 35 -17.348 7.656 7.656 268 2HD LYS 35 1HD LYS 35 -17.339 7.989 7.989 269 1HE LYS 35 2HE LYS 35 -15.904 9.578 9.578 270 2HE LYS 35 1HE LYS 35 -15.154 8.546 8.546 271 1HZ LYS 35 3HZ LYS 35 -16.395 10.059 10.059 272 2HZ LYS 35 2HZ LYS 35 -16.496 11.147 11.147 273 3HZ LYS 35 1HZ LYS 35 -14.979 10.640 10.640 274 H ARG 36 H ARG 36 -20.069 11.122 11.122 275 HA ARG 36 HA ARG 36 -22.529 10.941 10.941 276 1HB ARG 36 2HB ARG 36 -20.187 12.871 12.871 277 2HB ARG 36 1HB ARG 36 -21.600 12.936 12.936 278 1HG ARG 36 2HG ARG 36 -22.999 13.018 13.018 279 2HG ARG 36 1HG ARG 36 -21.483 13.370 13.370 280 1HD ARG 36 2HD ARG 36 -22.227 15.520 15.520 281 2HD ARG 36 1HD ARG 36 -21.229 15.190 15.190 282 HE ARG 36 HE ARG 36 -23.538 14.378 14.378 283 1HH1 ARG 36 1HH2 ARG 36 -25.590 15.155 15.155 284 2HH1 ARG 36 2HH2 ARG 36 -25.826 16.856 16.856 285 1HH2 ARG 36 2HH1 ARG 36 -22.710 17.362 17.362 286 2HH2 ARG 36 1HH1 ARG 36 -24.197 18.104 18.104 287 H VAL 37 H VAL 37 -19.513 9.436 9.436 288 HA VAL 37 HA VAL 37 -19.801 8.378 8.378 289 HB VAL 37 HB VAL 37 -18.659 10.561 10.561 290 1HG1 VAL 37 2HG1 VAL 37 -17.377 10.512 10.512 291 2HG1 VAL 37 1HG1 VAL 37 -16.254 9.418 9.418 292 3HG1 VAL 37 3HG1 VAL 37 -16.486 11.053 11.053 293 1HG2 VAL 37 3HG2 VAL 37 -18.252 8.272 8.272 294 2HG2 VAL 37 2HG2 VAL 37 -17.193 9.638 9.638 295 3HG2 VAL 37 1HG2 VAL 37 -16.658 8.367 8.367 296 H ASN 38 H ASN 38 -19.472 6.321 6.321 297 HA ASN 38 HA ASN 38 -17.315 5.432 5.432 298 1HB ASN 38 2HB ASN 38 -19.622 3.741 3.741 299 2HB ASN 38 1HB ASN 38 -18.514 3.353 3.353 300 1HD2 ASN 38 2HD2 ASN 38 -20.102 6.218 6.218 301 2HD2 ASN 38 1HD2 ASN 38 -18.572 6.052 6.052 302 H THR 39 H THR 39 -15.730 5.790 5.790 303 HA THR 39 HA THR 39 -15.922 4.503 4.503 304 HB THR 39 HB THR 39 -13.494 5.756 5.756 305 HG1 THR 39 HG1 THR 39 -14.197 7.640 7.640 306 1HG2 THR 39 3HG2 THR 39 -13.338 4.304 4.304 307 2HG2 THR 39 2HG2 THR 39 -14.169 5.644 5.644 308 3HG2 THR 39 1HG2 THR 39 -12.599 5.906 5.906 309 H PHE 40 H PHE 40 -15.753 2.354 2.354 310 HA PHE 40 HA PHE 40 -13.816 0.887 0.887 311 1HB PHE 40 2HB PHE 40 -15.878 -0.254 -0.254 312 2HB PHE 40 1HB PHE 40 -15.047 -1.104 -1.104 313 HD1 PHE 40 HD2 PHE 40 -15.235 0.510 0.510 314 HD2 PHE 40 HD1 PHE 40 -18.141 0.022 0.022 315 HE1 PHE 40 HE2 PHE 40 -17.041 1.149 1.149 316 HE2 PHE 40 HE1 PHE 40 -19.943 0.668 0.668 317 HZ PHE 40 HZ PHE 40 -19.393 1.231 1.231 318 H ILE 41 H ILE 41 -12.367 -0.757 -0.757 319 HA ILE 41 HA ILE 41 -11.939 0.106 0.106 320 HB ILE 41 HB ILE 41 -9.975 0.072 0.072 321 1HG1 ILE 41 2HG1 ILE 41 -9.286 2.061 2.061 322 2HG1 ILE 41 1HG1 ILE 41 -10.992 1.891 1.891 323 1HG2 ILE 41 2HG2 ILE 41 -9.265 -0.349 -0.349 324 2HG2 ILE 41 1HG2 ILE 41 -8.111 0.133 0.133 325 3HG2 ILE 41 3HG2 ILE 41 -8.900 -1.443 -1.443 326 1HD1 ILE 41 2HD1 ILE 41 -10.248 1.966 1.966 327 2HD1 ILE 41 1HD1 ILE 41 -10.211 3.478 3.478 328 3HD1 ILE 41 3HD1 ILE 41 -11.708 2.552 2.552 329 H ILE 42 H ILE 42 -11.699 -1.492 -1.492 330 HA ILE 42 HA ILE 42 -11.517 -4.290 -4.290 331 HB ILE 42 HB ILE 42 -13.612 -3.880 -3.880 332 1HG1 ILE 42 2HG1 ILE 42 -13.349 -5.563 -5.563 333 2HG1 ILE 42 1HG1 ILE 42 -11.608 -5.515 -5.515 334 1HG2 ILE 42 3HG2 ILE 42 -12.711 -1.968 -1.968 335 2HG2 ILE 42 2HG2 ILE 42 -11.988 -3.181 -3.181 336 3HG2 ILE 42 1HG2 ILE 42 -13.737 -3.111 -3.111 337 1HD1 ILE 42 3HD1 ILE 42 -13.153 -5.892 -5.892 338 2HD1 ILE 42 2HD1 ILE 42 -13.388 -7.191 -7.191 339 3HD1 ILE 42 1HD1 ILE 42 -11.765 -6.797 -6.797 340 H SER 43 H SER 43 -9.421 -4.837 -4.837 341 HA SER 43 HA SER 43 -8.013 -5.286 -5.286 342 1HB SER 43 2HB SER 43 -7.823 -2.843 -2.843 343 2HB SER 43 1HB SER 43 -7.194 -2.782 -2.782 344 HG SER 43 HG SER 43 -5.994 -4.196 -4.196 345 H SER 44 H SER 44 -5.948 -6.286 -6.286 346 HA SER 44 HA SER 44 -5.734 -7.835 -7.835 347 1HB SER 44 2HB SER 44 -3.162 -7.862 -7.862 348 2HB SER 44 1HB SER 44 -4.429 -8.757 -8.757 349 HG SER 44 HG SER 44 -3.799 -7.620 -7.620 350 H ALA 45 H ALA 45 -5.257 -7.324 -7.324 351 HA ALA 45 HA ALA 45 -4.804 -4.841 -4.841 352 1HB ALA 45 3HB ALA 45 -5.380 -6.924 -6.924 353 2HB ALA 45 2HB ALA 45 -3.686 -7.406 -7.406 354 3HB ALA 45 1HB ALA 45 -4.134 -5.954 -5.954 355 H THR 46 H THR 46 -2.088 -7.186 -7.186 356 HA THR 46 HA THR 46 -0.157 -5.218 -5.218 357 HB THR 46 HB THR 46 1.515 -6.803 -6.803 358 HG1 THR 46 HG1 THR 46 -0.373 -8.165 -8.165 359 1HG2 THR 46 1HG2 THR 46 -0.631 -7.438 -7.438 360 2HG2 THR 46 3HG2 THR 46 -0.561 -8.841 -8.841 361 3HG2 THR 46 2HG2 THR 46 0.842 -8.401 -8.401 362 H THR 47 H THR 47 -1.724 -5.731 -5.731 363 HA THR 47 HA THR 47 0.344 -4.715 -4.715 364 HB THR 47 HB THR 47 -2.672 -4.635 -4.635 365 HG1 THR 47 HG1 THR 47 -0.707 -6.432 -6.432 366 1HG2 THR 47 2HG2 THR 47 -0.776 -3.251 -3.251 367 2HG2 THR 47 1HG2 THR 47 -0.856 -4.771 -4.771 368 3HG2 THR 47 3HG2 THR 47 -2.314 -3.808 -3.808 369 H VAL 48 H VAL 48 -2.181 -3.268 -3.268 370 HA VAL 48 HA VAL 48 -1.690 -0.528 -0.528 371 HB VAL 48 HB VAL 48 -2.898 -1.523 -1.523 372 1HG1 VAL 48 2HG1 VAL 48 -2.181 0.869 0.869 373 2HG1 VAL 48 1HG1 VAL 48 -3.232 1.110 1.110 374 3HG1 VAL 48 3HG1 VAL 48 -3.927 0.680 0.680 375 1HG2 VAL 48 1HG2 VAL 48 -3.872 -1.960 -1.960 376 2HG2 VAL 48 3HG2 VAL 48 -4.818 -2.010 -2.010 377 3HG2 VAL 48 2HG2 VAL 48 -4.743 -0.526 -0.526 378 H LYS 49 H LYS 49 -0.516 -2.719 -2.719 379 HA LYS 49 HA LYS 49 1.060 -0.888 -0.888 380 1HB LYS 49 2HB LYS 49 0.486 -3.106 -3.106 381 2HB LYS 49 1HB LYS 49 1.338 -3.875 -3.875 382 1HG LYS 49 2HG LYS 49 3.449 -2.708 -2.708 383 2HG LYS 49 1HG LYS 49 2.522 -2.306 -2.306 384 1HD LYS 49 2HD LYS 49 2.109 -4.654 -4.654 385 2HD LYS 49 1HD LYS 49 2.860 -5.123 -5.123 386 1HE LYS 49 2HE LYS 49 4.805 -5.305 -5.305 387 2HE LYS 49 1HE LYS 49 4.796 -3.549 -3.549 388 1HZ LYS 49 2HZ LYS 49 3.308 -5.302 -5.302 389 2HZ LYS 49 1HZ LYS 49 4.941 -4.913 -4.913 390 3HZ LYS 49 3HZ LYS 49 3.774 -3.683 -3.683 391 H ALA 50 H ALA 50 1.507 -2.342 -2.342 392 HA ALA 50 HA ALA 50 4.405 -1.973 -1.973 393 1HB ALA 50 1HB ALA 50 2.373 -3.218 -3.218 394 2HB ALA 50 3HB ALA 50 3.554 -2.304 -2.304 395 3HB ALA 50 2HB ALA 50 4.090 -3.583 -3.583 396 H ILE 51 H ILE 51 1.539 -0.241 -0.241 397 HA ILE 51 HA ILE 51 3.022 1.679 1.679 398 HB ILE 51 HB ILE 51 0.597 1.304 1.304 399 1HG1 ILE 51 2HG1 ILE 51 -0.065 3.732 3.732 400 2HG1 ILE 51 1HG1 ILE 51 1.415 4.110 4.110 401 1HG2 ILE 51 1HG2 ILE 51 0.567 2.075 2.075 402 2HG2 ILE 51 3HG2 ILE 51 -0.696 2.818 2.818 403 3HG2 ILE 51 2HG2 ILE 51 -0.554 1.063 1.063 404 1HD1 ILE 51 2HD1 ILE 51 2.016 2.399 2.399 405 2HD1 ILE 51 1HD1 ILE 51 1.120 3.819 3.819 406 3HD1 ILE 51 3HD1 ILE 51 2.625 4.014 4.014 407 H CYS 52 H CYS 52 2.456 1.380 1.380 408 HA CYS 52 HA CYS 52 3.398 4.160 4.160 409 1HB CYS 52 2HB CYS 52 1.376 2.735 2.735 410 2HB CYS 52 1HB CYS 52 2.712 2.598 2.598 411 H THR 53 H THR 53 5.226 2.139 2.139 412 HA THR 53 HA THR 53 6.918 1.494 1.494 413 HB THR 53 HB THR 53 7.437 0.774 0.774 414 HG1 THR 53 HG1 THR 53 6.315 -1.072 -1.072 415 1HG2 THR 53 3HG2 THR 53 9.150 0.634 0.634 416 2HG2 THR 53 2HG2 THR 53 8.279 -0.871 -0.871 417 3HG2 THR 53 1HG2 THR 53 9.096 -0.613 -0.613 418 H GLY 54 H GLY 54 8.295 3.129 3.129 419 1HA GLY 54 2HA GLY 54 10.124 4.273 4.273 420 2HA GLY 54 1HA GLY 54 8.981 5.448 5.448 421 H VAL 55 H VAL 55 8.833 5.220 5.220 422 HA VAL 55 HA VAL 55 11.294 4.464 4.464 423 HB VAL 55 HB VAL 55 11.717 6.696 6.696 424 1HG1 VAL 55 3HG1 VAL 55 9.486 7.646 7.646 425 2HG1 VAL 55 2HG1 VAL 55 10.474 8.004 8.004 426 3HG1 VAL 55 1HG1 VAL 55 10.892 8.699 8.699 427 1HG2 VAL 55 2HG2 VAL 55 12.732 5.620 5.620 428 2HG2 VAL 55 1HG2 VAL 55 13.472 6.889 6.889 429 3HG2 VAL 55 3HG2 VAL 55 12.442 7.316 7.316 430 H ILE 56 H ILE 56 10.973 5.968 5.968 431 HA ILE 56 HA ILE 56 8.460 4.797 4.797 432 HB ILE 56 HB ILE 56 9.349 5.451 5.451 433 1HG1 ILE 56 2HG1 ILE 56 11.872 6.311 6.311 434 2HG1 ILE 56 1HG1 ILE 56 10.586 7.478 7.478 435 1HG2 ILE 56 1HG2 ILE 56 11.324 4.045 4.045 436 2HG2 ILE 56 3HG2 ILE 56 11.324 3.959 3.959 437 3HG2 ILE 56 2HG2 ILE 56 9.975 3.286 3.286 438 1HD1 ILE 56 1HD1 ILE 56 10.632 6.665 6.665 439 2HD1 ILE 56 3HD1 ILE 56 12.150 5.864 5.864 440 3HD1 ILE 56 2HD1 ILE 56 12.017 7.619 7.619 441 H ASN 57 H ASN 57 8.438 7.264 7.264 442 HA ASN 57 HA ASN 57 6.277 8.731 8.731 443 1HB ASN 57 2HB ASN 57 8.311 9.422 9.422 444 2HB ASN 57 1HB ASN 57 8.771 10.403 10.403 445 1HD2 ASN 57 2HD2 ASN 57 5.318 11.338 11.338 446 2HD2 ASN 57 1HD2 ASN 57 5.951 9.767 9.767 447 H MET 58 H MET 58 5.421 9.199 9.199 448 HA MET 58 HA MET 58 6.918 10.917 10.917 449 1HB MET 58 2HB MET 58 7.476 8.266 8.266 450 2HB MET 58 1HB MET 58 6.108 8.406 8.406 451 1HG MET 58 2HG MET 58 7.286 9.646 9.646 452 2HG MET 58 1HG MET 58 8.098 10.576 10.576 453 1HE MET 58 2HE MET 58 8.489 8.302 8.302 454 2HE MET 58 1HE MET 58 9.541 9.706 9.706 455 3HE MET 58 3HE MET 58 10.234 8.079 8.079 456 H ASN 59 H ASN 59 5.670 10.819 10.819 457 HA ASN 59 HA ASN 59 2.723 10.666 10.666 458 1HB ASN 59 2HB ASN 59 3.526 13.039 13.039 459 2HB ASN 59 1HB ASN 59 4.137 13.065 13.065 460 1HD2 ASN 59 2HD2 ASN 59 0.998 14.044 14.044 461 2HD2 ASN 59 1HD2 ASN 59 2.689 14.138 14.138 462 H VAL 60 H VAL 60 1.945 9.501 9.501 463 HA VAL 60 HA VAL 60 3.439 9.680 9.680 464 HB VAL 60 HB VAL 60 4.237 7.682 7.682 465 1HG1 VAL 60 1HG1 VAL 60 1.980 7.447 7.447 466 2HG1 VAL 60 3HG1 VAL 60 1.448 6.559 6.559 467 3HG1 VAL 60 2HG1 VAL 60 2.811 5.967 5.967 468 1HG2 VAL 60 2HG2 VAL 60 3.834 7.715 7.715 469 2HG2 VAL 60 1HG2 VAL 60 3.988 6.131 6.131 470 3HG2 VAL 60 3HG2 VAL 60 2.394 6.753 6.753 471 H LEU 61 H LEU 61 2.097 8.735 8.735 472 HA LEU 61 HA LEU 61 -0.823 9.148 9.148 473 1HB LEU 61 2HB LEU 61 0.735 9.954 9.954 474 2HB LEU 61 1HB LEU 61 -0.982 10.237 10.237 475 HG LEU 61 HG LEU 61 0.896 11.214 11.214 476 1HD1 LEU 61 3HD1 LEU 61 1.816 11.757 11.757 477 2HD1 LEU 61 2HD1 LEU 61 0.471 12.895 12.895 478 3HD1 LEU 61 1HD1 LEU 61 1.700 13.052 13.052 479 1HD2 LEU 61 2HD2 LEU 61 -1.576 11.480 11.480 480 2HD2 LEU 61 1HD2 LEU 61 -0.732 13.028 13.028 481 3HD2 LEU 61 3HD2 LEU 61 -1.520 12.427 12.427 482 H SER 62 H SER 62 -1.838 7.217 7.217 483 HA SER 62 HA SER 62 -0.903 5.077 5.077 484 1HB SER 62 2HB SER 62 -3.752 5.454 5.454 485 2HB SER 62 1HB SER 62 -2.888 3.957 3.957 486 HG SER 62 HG SER 62 -2.642 5.732 5.732 487 H THR 63 H THR 63 -0.579 6.113 6.113 488 HA THR 63 HA THR 63 -2.738 7.662 7.662 489 HB THR 63 HB THR 63 -0.997 7.606 7.606 490 HG1 THR 63 HG1 THR 63 0.346 6.027 6.027 491 1HG2 THR 63 1HG2 THR 63 -1.574 9.444 9.444 492 2HG2 THR 63 3HG2 THR 63 -0.041 8.972 8.972 493 3HG2 THR 63 2HG2 THR 63 -0.076 9.581 9.581 494 H THR 64 H THR 64 -1.240 4.465 4.465 495 HA THR 64 HA THR 64 -2.405 3.813 3.813 496 HB THR 64 HB THR 64 -1.893 1.943 1.943 497 HG1 THR 64 HG1 THR 64 0.056 1.599 1.599 498 1HG2 THR 64 2HG2 THR 64 -2.784 1.551 1.551 499 2HG2 THR 64 1HG2 THR 64 -1.470 0.503 0.503 500 3HG2 THR 64 3HG2 THR 64 -3.002 0.511 0.511 501 H ARG 65 H ARG 65 -3.781 1.941 1.941 502 HA ARG 65 HA ARG 65 -6.291 3.196 3.196 503 1HB ARG 65 2HB ARG 65 -7.706 1.735 1.735 504 2HB ARG 65 1HB ARG 65 -6.646 2.792 2.792 505 1HG ARG 65 2HG ARG 65 -4.986 0.758 0.758 506 2HG ARG 65 1HG ARG 65 -6.444 -0.173 -0.173 507 1HD ARG 65 2HD ARG 65 -6.959 -0.172 -0.172 508 2HD ARG 65 1HD ARG 65 -7.018 1.591 1.591 509 HE ARG 65 HE ARG 65 -4.456 0.103 0.103 510 1HH1 ARG 65 1HH2 ARG 65 -5.124 3.204 3.204 511 2HH1 ARG 65 2HH2 ARG 65 -4.867 3.666 3.666 512 1HH2 ARG 65 2HH1 ARG 65 -4.834 0.407 0.407 513 2HH2 ARG 65 1HH1 ARG 65 -4.708 2.082 2.082 514 H PHE 66 H PHE 66 -6.377 2.418 2.418 515 HA PHE 66 HA PHE 66 -6.051 -0.533 -0.533 516 1HB PHE 66 2HB PHE 66 -6.067 1.858 1.858 517 2HB PHE 66 1HB PHE 66 -6.277 0.225 0.225 518 HD1 PHE 66 HD2 PHE 66 -3.950 2.514 2.514 519 HD2 PHE 66 HD1 PHE 66 -4.404 -1.360 -1.360 520 HE1 PHE 66 HE2 PHE 66 -1.508 2.158 2.158 521 HE2 PHE 66 HE1 PHE 66 -1.961 -1.694 -1.694 522 HZ PHE 66 HZ PHE 66 -0.511 0.059 0.059 523 H GLN 67 H GLN 67 -8.297 0.166 0.166 524 HA GLN 67 HA GLN 67 -10.700 0.526 0.526 525 1HB GLN 67 2HB GLN 67 -9.951 -2.274 -2.274 526 2HB GLN 67 1HB GLN 67 -11.581 -1.813 -1.813 527 1HG GLN 67 2HG GLN 67 -9.437 -0.940 -0.940 528 2HG GLN 67 1HG GLN 67 -9.653 -2.686 -2.686 529 1HE2 GLN 67 2HE2 GLN 67 -13.047 -2.549 -2.549 530 2HE2 GLN 67 1HE2 GLN 67 -12.105 -3.375 -3.375 531 H LEU 68 H LEU 68 -11.767 1.812 1.812 532 HA LEU 68 HA LEU 68 -11.978 0.713 0.713 533 1HB LEU 68 2HB LEU 68 -12.880 3.054 3.054 534 2HB LEU 68 1HB LEU 68 -11.173 2.908 2.908 535 HG LEU 68 HG LEU 68 -11.456 3.892 3.892 536 1HD1 LEU 68 1HD1 LEU 68 -14.409 3.445 3.445 537 2HD1 LEU 68 3HD1 LEU 68 -13.822 4.606 4.606 538 3HD1 LEU 68 2HD1 LEU 68 -13.427 2.897 2.897 539 1HD2 LEU 68 3HD2 LEU 68 -11.788 5.314 5.314 540 2HD2 LEU 68 2HD2 LEU 68 -12.121 6.053 6.053 541 3HD2 LEU 68 1HD2 LEU 68 -13.449 5.461 5.461 542 H ASN 69 H ASN 69 -13.968 0.789 0.789 543 HA ASN 69 HA ASN 69 -16.432 0.693 0.693 544 1HB ASN 69 2HB ASN 69 -15.527 -1.501 -1.501 545 2HB ASN 69 1HB ASN 69 -16.254 -0.757 -0.757 546 1HD2 ASN 69 2HD2 ASN 69 -19.600 -0.845 -0.845 547 2HD2 ASN 69 1HD2 ASN 69 -18.605 0.247 0.247 548 H THR 70 H THR 70 -17.133 2.825 2.825 549 HA THR 70 HA THR 70 -17.038 3.776 3.776 550 HB THR 70 HB THR 70 -17.789 5.353 5.353 551 HG1 THR 70 HG1 THR 70 -15.762 4.934 4.934 552 1HG2 THR 70 3HG2 THR 70 -17.383 5.925 5.925 553 2HG2 THR 70 2HG2 THR 70 -16.628 7.063 7.063 554 3HG2 THR 70 1HG2 THR 70 -18.366 6.774 6.774 555 H CYS 71 H CYS 71 -18.747 3.795 3.795 556 HA CYS 71 HA CYS 71 -21.494 3.704 3.704 557 1HB CYS 71 2HB CYS 71 -20.513 2.912 2.912 558 2HB CYS 71 1HB CYS 71 -22.213 3.013 3.013 559 H THR 72 H THR 72 -22.191 5.800 5.800 560 HA THR 72 HA THR 72 -21.136 7.751 7.751 561 HB THR 72 HB THR 72 -22.745 8.526 8.526 562 HG1 THR 72 HG1 THR 72 -21.251 7.695 7.695 563 1HG2 THR 72 1HG2 THR 72 -20.514 9.784 9.784 564 2HG2 THR 72 3HG2 THR 72 -21.126 10.459 10.459 565 3HG2 THR 72 2HG2 THR 72 -22.191 10.322 10.322 566 H ARG 73 H ARG 73 -22.443 8.960 8.960 567 HA ARG 73 HA ARG 73 -25.098 7.968 7.968 568 1HB ARG 73 2HB ARG 73 -23.540 8.915 8.915 569 2HB ARG 73 1HB ARG 73 -23.749 10.502 10.502 570 1HG ARG 73 2HG ARG 73 -26.250 9.046 9.046 571 2HG ARG 73 1HG ARG 73 -25.291 9.606 9.606 572 1HD ARG 73 2HD ARG 73 -25.222 11.884 11.884 573 2HD ARG 73 1HD ARG 73 -26.366 11.289 11.289 574 HE ARG 73 HE ARG 73 -27.285 10.861 10.861 575 1HH1 ARG 73 2HH1 ARG 73 -28.852 11.608 11.608 576 2HH1 ARG 73 1HH1 ARG 73 -29.417 13.188 13.188 577 1HH2 ARG 73 1HH2 ARG 73 -27.210 13.543 13.543 578 2HH2 ARG 73 2HH2 ARG 73 -28.484 14.286 14.286 579 H THR 74 H THR 74 -26.675 8.374 8.374 580 HA THR 74 HA THR 74 -27.156 11.218 11.218 581 HB THR 74 HB THR 74 -27.857 10.200 10.200 582 HG1 THR 74 HG1 THR 74 -27.207 8.246 8.246 583 1HG2 THR 74 1HG2 THR 74 -25.715 11.620 11.620 584 2HG2 THR 74 3HG2 THR 74 -24.908 10.180 10.180 585 3HG2 THR 74 2HG2 THR 74 -25.943 11.135 11.135 586 H SER 75 H SER 75 -28.810 8.305 8.305 587 HA SER 75 HA SER 75 -30.999 8.312 8.312 588 1HB SER 75 2HB SER 75 -31.131 10.516 10.516 589 2HB SER 75 1HB SER 75 -32.018 9.365 9.365 590 HG SER 75 HG SER 75 -32.561 10.313 10.313 591 H ILE 76 H ILE 76 -31.263 6.121 6.121 592 HA ILE 76 HA ILE 76 -32.543 4.871 4.871 593 HB ILE 76 HB ILE 76 -30.334 5.169 5.169 594 1HG1 ILE 76 2HG1 ILE 76 -29.918 2.731 2.731 595 2HG1 ILE 76 1HG1 ILE 76 -31.106 2.330 2.330 596 1HG2 ILE 76 2HG2 ILE 76 -29.355 3.513 3.513 597 2HG2 ILE 76 1HG2 ILE 76 -28.412 3.827 3.827 598 3HG2 ILE 76 3HG2 ILE 76 -28.878 5.163 5.163 599 1HD1 ILE 76 2HD1 ILE 76 -31.754 4.246 4.246 600 2HD1 ILE 76 1HD1 ILE 76 -31.946 2.503 2.503 601 3HD1 ILE 76 3HD1 ILE 76 -32.870 3.361 3.361 602 H THR 77 H THR 77 -33.039 2.644 2.644 603 HA THR 77 HA THR 77 -33.623 0.905 0.905 604 HB THR 77 HB THR 77 -31.479 0.660 0.660 605 HG1 THR 77 HG1 THR 77 -29.734 1.306 1.306 606 1HG2 THR 77 1HG2 THR 77 -32.499 -0.657 -0.657 607 2HG2 THR 77 3HG2 THR 77 -30.779 -0.923 -0.923 608 3HG2 THR 77 2HG2 THR 77 -31.958 -1.359 -1.359 609 HA PRO 78 HA PRO 78 -35.187 2.544 2.544 610 1HB PRO 78 2HB PRO 78 -35.241 0.396 0.396 611 2HB PRO 78 1HB PRO 78 -36.345 0.583 0.583 612 1HG PRO 78 2HG PRO 78 -34.002 -1.236 -1.236 613 2HG PRO 78 1HG PRO 78 -35.447 -1.418 -1.418 614 1HD PRO 78 2HD PRO 78 -32.887 -0.582 -0.582 615 2HD PRO 78 1HD PRO 78 -34.409 -0.498 -0.498 616 H ARG 79 H ARG 79 -33.154 0.191 0.191 617 HA ARG 79 HA ARG 79 -31.591 2.444 2.444 618 1HB ARG 79 2HB ARG 79 -33.337 0.469 0.469 619 2HB ARG 79 1HB ARG 79 -31.707 0.361 0.361 620 1HG ARG 79 2HG ARG 79 -31.971 2.274 2.274 621 2HG ARG 79 1HG ARG 79 -32.506 3.142 3.142 622 1HD ARG 79 2HD ARG 79 -34.772 1.972 1.972 623 2HD ARG 79 1HD ARG 79 -34.177 1.558 1.558 624 HE ARG 79 HE ARG 79 -34.371 4.390 4.390 625 1HH1 ARG 79 2HH1 ARG 79 -32.956 3.996 3.996 626 2HH1 ARG 79 1HH1 ARG 79 -34.225 4.142 4.142 627 1HH2 ARG 79 1HH2 ARG 79 -36.770 3.689 3.689 628 2HH2 ARG 79 2HH2 ARG 79 -36.380 3.973 3.973 629 HA PRO 80 HA PRO 80 -30.243 1.653 1.653 630 1HB PRO 80 2HB PRO 80 -27.629 2.431 2.431 631 2HB PRO 80 1HB PRO 80 -28.271 0.874 0.874 632 1HG PRO 80 2HG PRO 80 -26.569 1.469 1.469 633 2HG PRO 80 1HG PRO 80 -26.646 0.000 0.000 634 1HD PRO 80 2HD PRO 80 -27.841 0.298 0.298 635 2HD PRO 80 1HD PRO 80 -28.294 -0.928 -0.928 636 H CYS 81 H CYS 81 -27.701 2.995 2.995 637 HA CYS 81 HA CYS 81 -29.178 5.588 5.588 638 1HB CYS 81 2HB CYS 81 -26.268 4.859 4.859 639 2HB CYS 81 1HB CYS 81 -26.767 6.354 6.354 640 HA PRO 82 HA PRO 82 -29.679 5.081 5.081 641 1HB PRO 82 2HB PRO 82 -29.469 7.668 7.668 642 2HB PRO 82 1HB PRO 82 -30.909 7.033 7.033 643 1HG PRO 82 2HG PRO 82 -28.772 8.832 8.832 644 2HG PRO 82 1HG PRO 82 -30.491 8.754 8.754 645 1HD PRO 82 2HD PRO 82 -28.432 7.685 7.685 646 2HD PRO 82 1HD PRO 82 -30.137 7.192 7.192 647 H TYR 83 H TYR 83 -28.008 4.091 4.091 648 HA TYR 83 HA TYR 83 -25.640 5.753 5.753 649 1HB TYR 83 2HB TYR 83 -25.591 3.175 3.175 650 2HB TYR 83 1HB TYR 83 -24.319 3.488 3.488 651 HD1 TYR 83 HD2 TYR 83 -26.110 5.148 5.148 652 HD2 TYR 83 HD1 TYR 83 -22.481 4.735 4.735 653 HE1 TYR 83 HE2 TYR 83 -24.938 6.633 6.633 654 HE2 TYR 83 HE1 TYR 83 -21.323 6.220 6.220 655 HH TYR 83 HH TYR 83 -21.511 7.000 7.000 656 H SER 84 H SER 84 -25.019 5.487 5.487 657 HA SER 84 HA SER 84 -26.285 3.262 3.262 658 1HB SER 84 2HB SER 84 -25.600 4.825 4.825 659 2HB SER 84 1HB SER 84 -26.970 5.319 5.319 660 HG SER 84 HG SER 84 -25.806 7.081 7.081 661 H SER 85 H SER 85 -24.903 1.747 1.747 662 HA SER 85 HA SER 85 -22.017 2.078 2.078 663 1HB SER 85 2HB SER 85 -21.875 -0.308 -0.308 664 2HB SER 85 1HB SER 85 -23.149 -0.036 -0.036 665 HG SER 85 HG SER 85 -24.121 -1.236 -1.236 666 H ARG 86 H ARG 86 -20.455 2.199 2.199 667 HA ARG 86 HA ARG 86 -21.097 1.849 1.849 668 1HB ARG 86 2HB ARG 86 -21.367 4.357 4.357 669 2HB ARG 86 1HB ARG 86 -19.624 4.354 4.354 670 1HG ARG 86 2HG ARG 86 -20.595 5.106 5.106 671 2HG ARG 86 1HG ARG 86 -20.123 3.430 3.430 672 1HD ARG 86 2HD ARG 86 -22.360 2.652 2.652 673 2HD ARG 86 1HD ARG 86 -22.901 4.176 4.176 674 HE ARG 86 HE ARG 86 -23.219 4.953 4.953 675 1HH1 ARG 86 1HH2 ARG 86 -20.530 5.132 5.132 676 2HH1 ARG 86 2HH2 ARG 86 -20.433 3.920 3.920 677 1HH2 ARG 86 2HH1 ARG 86 -23.248 2.211 2.211 678 2HH2 ARG 86 1HH1 ARG 86 -21.968 2.263 2.263 679 H THR 87 H THR 87 -19.089 1.723 1.723 680 HA THR 87 HA THR 87 -16.577 1.364 1.364 681 HB THR 87 HB THR 87 -17.524 -0.646 -0.646 682 HG1 THR 87 HG1 THR 87 -18.901 -0.905 -0.905 683 1HG2 THR 87 1HG2 THR 87 -15.273 -0.546 -0.546 684 2HG2 THR 87 3HG2 THR 87 -15.771 -2.035 -2.035 685 3HG2 THR 87 2HG2 THR 87 -15.146 -0.688 -0.688 686 H GLU 88 H GLU 88 -14.665 1.715 1.715 687 HA GLU 88 HA GLU 88 -14.577 2.002 2.002 688 1HB GLU 88 2HB GLU 88 -14.351 4.500 4.500 689 2HB GLU 88 1HB GLU 88 -15.979 3.955 3.955 690 1HG GLU 88 2HG GLU 88 -15.322 4.214 4.214 691 2HG GLU 88 1HG GLU 88 -13.878 5.054 5.054 692 H THR 89 H THR 89 -12.577 3.626 3.626 693 HA THR 89 HA THR 89 -10.208 2.420 2.420 694 HB THR 89 HB THR 89 -10.532 5.275 5.275 695 HG1 THR 89 HG1 THR 89 -10.140 2.803 2.803 696 1HG2 THR 89 3HG2 THR 89 -8.255 3.893 3.893 697 2HG2 THR 89 2HG2 THR 89 -8.154 3.838 3.838 698 3HG2 THR 89 1HG2 THR 89 -8.287 5.389 5.389 699 H ASN 90 H ASN 90 -8.794 2.870 2.870 700 HA ASN 90 HA ASN 90 -9.826 4.890 4.890 701 1HB ASN 90 2HB ASN 90 -9.751 2.447 2.447 702 2HB ASN 90 1HB ASN 90 -7.996 2.609 2.609 703 1HD2 ASN 90 2HD2 ASN 90 -8.195 3.845 3.845 704 2HD2 ASN 90 1HD2 ASN 90 -7.515 2.707 2.707 705 H TYR 91 H TYR 91 -8.723 6.641 6.641 706 HA TYR 91 HA TYR 91 -5.743 6.639 6.639 707 1HB TYR 91 2HB TYR 91 -6.098 9.113 9.113 708 2HB TYR 91 1HB TYR 91 -6.161 7.784 7.784 709 HD1 TYR 91 HD1 TYR 91 -8.355 6.946 6.946 710 HD2 TYR 91 HD2 TYR 91 -8.045 10.425 10.425 711 HE1 TYR 91 HE1 TYR 91 -10.647 7.618 7.618 712 HE2 TYR 91 HE2 TYR 91 -10.338 11.101 11.101 713 HH TYR 91 HH TYR 91 -12.527 9.113 9.113 714 H ILE 92 H ILE 92 -5.383 6.771 6.771 715 HA ILE 92 HA ILE 92 -6.855 8.891 8.891 716 HB ILE 92 HB ILE 92 -7.551 6.651 6.651 717 1HG1 ILE 92 2HG1 ILE 92 -5.795 6.901 6.901 718 2HG1 ILE 92 1HG1 ILE 92 -6.423 8.468 8.468 719 1HG2 ILE 92 1HG2 ILE 92 -4.585 6.125 6.125 720 2HG2 ILE 92 3HG2 ILE 92 -5.801 5.059 5.059 721 3HG2 ILE 92 2HG2 ILE 92 -5.753 5.313 5.313 722 1HD1 ILE 92 3HD1 ILE 92 -8.727 7.352 7.352 723 2HD1 ILE 92 2HD1 ILE 92 -7.985 5.988 5.988 724 3HD1 ILE 92 1HD1 ILE 92 -8.042 7.571 7.571 725 H CYS 93 H CYS 93 -5.742 10.036 10.036 726 HA CYS 93 HA CYS 93 -2.769 10.179 10.179 727 1HB CYS 93 2HB CYS 93 -4.285 12.263 12.263 728 2HB CYS 93 1HB CYS 93 -4.600 11.944 11.944 729 H VAL 94 H VAL 94 -1.472 9.440 9.440 730 HA VAL 94 HA VAL 94 -2.783 8.612 8.612 731 HB VAL 94 HB VAL 94 -1.963 6.365 6.365 732 1HG1 VAL 94 3HG1 VAL 94 -2.897 7.254 7.254 733 2HG1 VAL 94 2HG1 VAL 94 -2.850 5.583 5.583 734 3HG1 VAL 94 1HG1 VAL 94 -3.924 6.741 6.741 735 1HG2 VAL 94 2HG2 VAL 94 -0.324 7.360 7.360 736 2HG2 VAL 94 1HG2 VAL 94 0.283 6.709 6.709 737 3HG2 VAL 94 3HG2 VAL 94 -0.539 5.652 5.652 738 H LYS 95 H LYS 95 -0.847 7.532 7.532 739 HA LYS 95 HA LYS 95 1.645 9.047 9.047 740 1HB LYS 95 2HB LYS 95 -0.327 9.461 9.461 741 2HB LYS 95 1HB LYS 95 1.398 9.655 9.655 742 1HG LYS 95 2HG LYS 95 1.575 11.304 11.304 743 2HG LYS 95 1HG LYS 95 -0.126 11.077 11.077 744 1HD LYS 95 2HD LYS 95 0.611 11.830 11.830 745 2HD LYS 95 1HD LYS 95 0.605 13.077 13.077 746 1HE LYS 95 2HE LYS 95 -1.708 12.566 12.566 747 2HE LYS 95 1HE LYS 95 -1.720 11.222 11.222 748 1HZ LYS 95 2HZ LYS 95 -1.015 13.051 13.051 749 2HZ LYS 95 1HZ LYS 95 -1.696 14.112 14.112 750 3HZ LYS 95 3HZ LYS 95 -2.649 12.896 12.896 751 H CYS 96 H CYS 96 3.403 8.079 8.079 752 HA CYS 96 HA CYS 96 2.761 5.360 5.360 753 1HB CYS 96 2HB CYS 96 5.442 6.051 6.051 754 2HB CYS 96 1HB CYS 96 4.654 4.482 4.482 755 H GLU 97 H GLU 97 3.088 5.145 5.145 756 HA GLU 97 HA GLU 97 5.494 6.350 6.350 757 1HB GLU 97 2HB GLU 97 3.500 7.507 7.507 758 2HB GLU 97 1HB GLU 97 2.740 5.959 5.959 759 1HG GLU 97 2HG GLU 97 4.203 5.499 5.499 760 2HG GLU 97 1HG GLU 97 5.453 6.571 6.571 761 H ASN 98 H ASN 98 6.590 4.708 4.708 762 HA ASN 98 HA ASN 98 7.201 2.432 2.432 763 1HB ASN 98 2HB ASN 98 4.209 2.480 2.480 764 2HB ASN 98 1HB ASN 98 5.054 0.932 0.932 765 1HD2 ASN 98 2HD2 ASN 98 5.731 1.463 1.463 766 2HD2 ASN 98 1HD2 ASN 98 5.098 0.432 0.432 767 H GLN 99 H GLN 99 6.668 3.457 3.457 768 HA GLN 99 HA GLN 99 6.532 2.886 2.886 769 1HB GLN 99 2HB GLN 99 7.631 0.818 0.818 770 2HB GLN 99 1HB GLN 99 8.539 1.598 1.598 771 1HG GLN 99 2HG GLN 99 7.773 0.022 0.022 772 2HG GLN 99 1HG GLN 99 6.542 -0.611 -0.611 773 1HE2 GLN 99 2HE2 GLN 99 10.189 -2.244 -2.244 774 2HE2 GLN 99 1HE2 GLN 99 9.642 -1.203 -1.203 775 H TYR 100 H TYR 100 4.155 1.926 1.926 776 HA TYR 100 HA TYR 100 2.782 0.490 0.490 777 1HB TYR 100 2HB TYR 100 1.886 -1.006 -1.006 778 2HB TYR 100 1HB TYR 100 2.996 -0.390 -0.390 779 HD1 TYR 100 HD2 TYR 100 -0.407 0.389 0.389 780 HD2 TYR 100 HD1 TYR 100 2.099 0.415 0.415 781 HE1 TYR 100 HE2 TYR 100 -2.312 1.215 1.215 782 HE2 TYR 100 HE1 TYR 100 0.189 1.228 1.228 783 HH TYR 100 HH TYR 100 -2.655 2.439 2.439 784 HA PRO 101 HA PRO 101 0.542 4.260 4.260 785 1HB PRO 101 2HB PRO 101 -1.963 3.290 3.290 786 2HB PRO 101 1HB PRO 101 -0.616 3.476 3.476 787 1HG PRO 101 2HG PRO 101 -1.616 0.991 0.991 788 2HG PRO 101 1HG PRO 101 -0.946 1.179 1.179 789 1HD PRO 101 2HD PRO 101 0.521 0.153 0.153 790 2HD PRO 101 1HD PRO 101 1.257 1.073 1.073 791 H VAL 102 H VAL 102 0.684 4.797 4.797 792 HA VAL 102 HA VAL 102 -1.271 3.768 3.768 793 HB VAL 102 HB VAL 102 0.988 5.783 5.783 794 1HG1 VAL 102 3HG1 VAL 102 -0.879 6.332 6.332 795 2HG1 VAL 102 2HG1 VAL 102 -0.596 4.751 4.751 796 3HG1 VAL 102 1HG1 VAL 102 0.679 5.966 5.966 797 1HG2 VAL 102 2HG2 VAL 102 1.122 3.094 3.094 798 2HG2 VAL 102 1HG2 VAL 102 2.246 4.071 4.071 799 3HG2 VAL 102 3HG2 VAL 102 0.880 3.306 3.306 800 H HIS 103 H HIS 103 -1.043 6.460 6.460 801 HA HIS 103 HA HIS 103 -3.490 7.583 7.583 802 1HB HIS 103 2HB HIS 103 -1.936 9.760 9.760 803 2HB HIS 103 1HB HIS 103 -2.443 9.518 9.518 804 HD1 HIS 103 HD1 HIS 103 -0.447 9.516 9.516 805 HD2 HIS 103 HD2 HIS 103 0.499 7.804 7.804 806 HE1 HIS 103 HE1 HIS 103 1.962 8.703 8.703 807 H PHE 104 H PHE 104 -5.052 8.125 8.125 808 HA PHE 104 HA PHE 104 -4.209 8.064 8.064 809 1HB PHE 104 2HB PHE 104 -6.121 6.371 6.371 810 2HB PHE 104 1HB PHE 104 -6.928 7.298 7.298 811 HD1 PHE 104 HD1 PHE 104 -3.610 5.560 5.560 812 HD2 PHE 104 HD2 PHE 104 -7.006 6.284 6.284 813 HE1 PHE 104 HE1 PHE 104 -2.671 4.046 4.046 814 HE2 PHE 104 HE2 PHE 104 -6.069 4.752 4.752 815 HZ PHE 104 HZ PHE 104 -3.900 3.629 3.629 816 H ALA 105 H ALA 105 -4.817 9.840 9.840 817 HA ALA 105 HA ALA 105 -6.350 11.958 11.958 818 1HB ALA 105 3HB ALA 105 -4.284 11.903 11.903 819 2HB ALA 105 2HB ALA 105 -5.686 12.642 12.642 820 3HB ALA 105 1HB ALA 105 -5.049 13.316 13.316 821 H GLY 106 H GLY 106 -6.735 9.914 9.914 822 1HA GLY 106 2HA GLY 106 -9.169 9.194 9.194 823 2HA GLY 106 1HA GLY 106 -9.567 10.898 10.898 824 H ILE 107 H ILE 107 -9.407 12.241 12.241 825 HA ILE 107 HA ILE 107 -9.499 11.140 11.140 826 HB ILE 107 HB ILE 107 -9.222 13.506 13.506 827 1HG1 ILE 107 2HG1 ILE 107 -9.032 14.195 14.195 828 2HG1 ILE 107 1HG1 ILE 107 -7.595 14.028 14.028 829 1HG2 ILE 107 1HG2 ILE 107 -11.420 12.607 12.607 830 2HG2 ILE 107 3HG2 ILE 107 -11.059 13.152 13.152 831 3HG2 ILE 107 2HG2 ILE 107 -11.258 14.330 14.330 832 1HD1 ILE 107 2HD1 ILE 107 -9.690 15.703 15.703 833 2HD1 ILE 107 1HD1 ILE 107 -9.055 16.347 16.347 834 3HD1 ILE 107 3HD1 ILE 107 -7.962 16.011 16.011 835 H GLY 108 H GLY 108 -8.013 11.077 11.077 836 1HA GLY 108 2HA GLY 108 -5.273 10.520 10.520 837 2HA GLY 108 1HA GLY 108 -5.916 10.631 10.631 838 H ARG 109 H ARG 109 -6.939 13.324 13.324 839 HA ARG 109 HA ARG 109 -4.596 14.816 14.816 840 1HB ARG 109 2HB ARG 109 -7.454 15.568 15.568 841 2HB ARG 109 1HB ARG 109 -6.239 16.807 16.807 842 1HG ARG 109 2HG ARG 109 -6.244 14.549 14.549 843 2HG ARG 109 1HG ARG 109 -7.685 15.564 15.564 844 1HD ARG 109 2HD ARG 109 -6.275 16.678 16.678 845 2HD ARG 109 1HD ARG 109 -5.965 17.546 17.546 846 HE ARG 109 HE ARG 109 -3.934 16.011 16.011 847 1HH1 ARG 109 1HH2 ARG 109 -3.422 14.204 14.204 848 2HH1 ARG 109 2HH2 ARG 109 -2.884 14.981 14.981 849 1HH2 ARG 109 2HH1 ARG 109 -4.101 18.101 18.101 850 2HH2 ARG 109 1HH1 ARG 109 -3.272 17.189 17.189 851 H CYS 110 H CYS 110 -3.081 15.498 15.498 852 HA CYS 110 HA CYS 110 -3.864 16.443 16.443 853 1HB CYS 110 2HB CYS 110 -2.203 14.236 14.236 854 2HB CYS 110 1HB CYS 110 -1.169 15.453 15.453 855 HA PRO 111 HA PRO 111 -1.350 19.995 19.995 856 1HB PRO 111 2HB PRO 111 -0.111 20.596 20.596 857 2HB PRO 111 1HB PRO 111 -1.834 20.892 20.892 858 1HG PRO 111 2HG PRO 111 -0.551 18.756 18.756 859 2HG PRO 111 1HG PRO 111 -2.147 19.503 19.503 860 1HD PRO 111 1HD PRO 111 -1.633 16.980 16.980 861 2HD PRO 111 2HD PRO 111 -3.147 17.898 17.898 Start of MODEL 14 1 HN PCA 1 HN PCA 1 -4.165 3.657 3.657 2 HA PCA 1 HA PCA 1 -1.836 4.709 4.709 3 1HB PCA 1 1HB PCA 1 -1.233 5.898 5.898 4 2HB PCA 1 2HB PCA 1 -1.290 4.426 4.426 5 1HG PCA 1 1HG PCA 1 -3.199 6.581 6.581 6 2HG PCA 1 2HG PCA 1 -3.245 5.127 5.127 7 H ASN 2 H ASN 2 -3.352 2.125 2.125 8 HA ASN 2 HA ASN 2 -0.927 0.471 0.471 9 1HB ASN 2 2HB ASN 2 -2.449 0.326 0.326 10 2HB ASN 2 1HB ASN 2 -3.803 -0.034 -0.034 11 1HD2 ASN 2 2HD2 ASN 2 -1.015 -2.992 -2.992 12 2HD2 ASN 2 1HD2 ASN 2 -0.543 -1.365 -1.365 13 H TRP 3 H TRP 3 -0.777 -1.585 -1.585 14 HA TRP 3 HA TRP 3 -1.596 -1.492 -1.492 15 1HB TRP 3 2HB TRP 3 0.350 -2.855 -2.855 16 2HB TRP 3 1HB TRP 3 -0.698 -4.123 -4.123 17 HD1 TRP 3 HD1 TRP 3 2.350 -2.621 -2.621 18 HE1 TRP 3 HE1 TRP 3 2.926 -2.746 -2.746 19 HE3 TRP 3 HE3 TRP 3 -2.311 -3.520 -3.520 20 HZ2 TRP 3 HZ2 TRP 3 1.628 -3.181 -3.181 21 HZ3 TRP 3 HZ3 TRP 3 -2.579 -3.807 -3.807 22 HH2 TRP 3 HH2 TRP 3 -0.615 -3.640 -3.640 23 H ALA 4 H ALA 4 -2.583 -3.508 -3.508 24 HA ALA 4 HA ALA 4 -4.373 -5.235 -5.235 25 1HB ALA 4 2HB ALA 4 -3.415 -5.462 -5.462 26 2HB ALA 4 1HB ALA 4 -4.783 -4.458 -4.458 27 3HB ALA 4 3HB ALA 4 -5.063 -6.017 -6.017 28 H THR 5 H THR 5 -5.091 -2.391 -2.391 29 HA THR 5 HA THR 5 -7.889 -2.295 -2.295 30 HB THR 5 HB THR 5 -6.232 0.120 0.120 31 HG1 THR 5 HG1 THR 5 -5.911 -0.715 -0.715 32 1HG2 THR 5 2HG2 THR 5 -8.661 0.359 0.359 33 2HG2 THR 5 1HG2 THR 5 -9.025 -0.773 -0.773 34 3HG2 THR 5 3HG2 THR 5 -8.280 0.784 0.784 35 H PHE 6 H PHE 6 -4.983 -1.071 -1.071 36 HA PHE 6 HA PHE 6 -6.413 0.628 0.628 37 1HB PHE 6 2HB PHE 6 -4.103 1.147 1.147 38 2HB PHE 6 1HB PHE 6 -3.609 -0.415 -0.415 39 HD1 PHE 6 HD2 PHE 6 -3.910 -0.906 -0.906 40 HD2 PHE 6 HD1 PHE 6 -4.533 3.052 3.052 41 HE1 PHE 6 HE2 PHE 6 -3.714 0.033 0.033 42 HE2 PHE 6 HE1 PHE 6 -4.336 4.005 4.005 43 HZ PHE 6 HZ PHE 6 -3.926 2.475 2.475 44 H GLN 7 H GLN 7 -5.696 -2.737 -2.737 45 HA GLN 7 HA GLN 7 -5.779 -3.415 -3.415 46 1HB GLN 7 2HB GLN 7 -5.076 -4.945 -4.945 47 2HB GLN 7 1HB GLN 7 -6.804 -5.205 -5.205 48 1HG GLN 7 2HG GLN 7 -7.037 -6.045 -6.045 49 2HG GLN 7 1HG GLN 7 -5.339 -5.698 -5.698 50 1HE2 GLN 7 2HE2 GLN 7 -6.052 -8.713 -8.713 51 2HE2 GLN 7 1HE2 GLN 7 -7.026 -7.323 -7.323 52 H GLN 8 H GLN 8 -8.178 -2.973 -2.973 53 HA GLN 8 HA GLN 8 -10.423 -3.574 -3.574 54 1HB GLN 8 2HB GLN 8 -10.116 -2.633 -2.633 55 2HB GLN 8 1HB GLN 8 -11.632 -2.276 -2.276 56 1HG GLN 8 2HG GLN 8 -12.224 -4.358 -4.358 57 2HG GLN 8 1HG GLN 8 -11.302 -4.886 -4.886 58 1HE2 GLN 8 2HE2 GLN 8 -9.266 -6.796 -6.796 59 2HE2 GLN 8 1HE2 GLN 8 -10.238 -6.743 -6.743 60 H LYS 9 H LYS 9 -8.589 -0.769 -0.769 61 HA LYS 9 HA LYS 9 -10.147 1.402 1.402 62 1HB LYS 9 2HB LYS 9 -7.935 1.739 1.739 63 2HB LYS 9 1HB LYS 9 -7.166 1.094 1.094 64 1HG LYS 9 2HG LYS 9 -7.030 3.232 3.232 65 2HG LYS 9 1HG LYS 9 -8.758 3.117 3.117 66 1HD LYS 9 2HD LYS 9 -9.350 4.136 4.136 67 2HD LYS 9 1HD LYS 9 -7.758 3.844 3.844 68 1HE LYS 9 2HE LYS 9 -7.255 5.962 5.962 69 2HE LYS 9 1HE LYS 9 -7.188 5.352 5.352 70 1HZ LYS 9 1HZ LYS 9 -9.697 6.262 6.262 71 2HZ LYS 9 3HZ LYS 9 -8.698 7.289 7.289 72 3HZ LYS 9 2HZ LYS 9 -9.424 5.942 5.942 73 H HIS 10 H HIS 10 -7.899 -0.037 -0.037 74 HA HIS 10 HA HIS 10 -9.802 0.947 0.947 75 1HB HIS 10 2HB HIS 10 -6.806 0.605 0.605 76 2HB HIS 10 1HB HIS 10 -7.770 0.844 0.844 77 HD1 HIS 10 HD1 HIS 10 -9.504 2.960 2.960 78 HD2 HIS 10 HD2 HIS 10 -6.308 2.983 2.983 79 HE1 HIS 10 HE1 HIS 10 -9.422 5.285 5.285 80 H ILE 11 H ILE 11 -8.306 -2.008 -2.008 81 HA ILE 11 HA ILE 11 -9.084 -3.391 -3.391 82 HB ILE 11 HB ILE 11 -7.791 -4.671 -4.671 83 1HG1 ILE 11 2HG1 ILE 11 -6.412 -2.764 -2.764 84 2HG1 ILE 11 1HG1 ILE 11 -5.639 -4.288 -4.288 85 1HG2 ILE 11 2HG2 ILE 11 -8.918 -5.867 -5.867 86 2HG2 ILE 11 1HG2 ILE 11 -7.335 -5.529 -5.529 87 3HG2 ILE 11 3HG2 ILE 11 -7.464 -6.496 -6.496 88 1HD1 ILE 11 1HD1 ILE 11 -7.257 -3.732 -3.732 89 2HD1 ILE 11 3HD1 ILE 11 -6.634 -2.149 -2.149 90 3HD1 ILE 11 2HD1 ILE 11 -5.517 -3.462 -3.462 91 H ILE 12 H ILE 12 -11.419 -2.656 -2.656 92 HA ILE 12 HA ILE 12 -12.603 -4.823 -4.823 93 HB ILE 12 HB ILE 12 -14.035 -2.526 -2.526 94 1HG1 ILE 12 2HG1 ILE 12 -13.939 -1.762 -1.762 95 2HG1 ILE 12 1HG1 ILE 12 -12.394 -2.601 -2.601 96 1HG2 ILE 12 3HG2 ILE 12 -15.286 -4.583 -4.583 97 2HG2 ILE 12 2HG2 ILE 12 -14.825 -4.008 -4.008 98 3HG2 ILE 12 1HG2 ILE 12 -15.835 -3.003 -3.003 99 1HD1 ILE 12 1HD1 ILE 12 -13.146 -0.681 -0.681 100 2HD1 ILE 12 3HD1 ILE 12 -12.599 -0.025 -0.025 101 3HD1 ILE 12 2HD1 ILE 12 -11.547 -1.096 -1.096 102 H ASN 13 H ASN 13 -11.871 -6.378 -6.378 103 HA ASN 13 HA ASN 13 -12.946 -6.266 -6.266 104 1HB ASN 13 2HB ASN 13 -10.785 -7.464 -7.464 105 2HB ASN 13 1HB ASN 13 -11.865 -8.775 -8.775 106 1HD2 ASN 13 2HD2 ASN 13 -10.782 -8.642 -8.642 107 2HD2 ASN 13 1HD2 ASN 13 -9.913 -7.968 -7.968 108 H THR 14 H THR 14 -15.204 -6.003 -6.003 109 HA THR 14 HA THR 14 -16.582 -8.619 -8.619 110 HB THR 14 HB THR 14 -18.287 -7.493 -7.493 111 HG1 THR 14 HG1 THR 14 -18.307 -5.413 -5.413 112 1HG2 THR 14 3HG2 THR 14 -15.785 -8.329 -8.329 113 2HG2 THR 14 2HG2 THR 14 -15.866 -6.708 -6.708 114 3HG2 THR 14 1HG2 THR 14 -17.097 -7.903 -7.903 115 HA PRO 15 HA PRO 15 -17.868 -6.088 -6.088 116 1HB PRO 15 2HB PRO 15 -17.550 -8.091 -8.091 117 2HB PRO 15 1HB PRO 15 -16.290 -6.923 -6.923 118 1HG PRO 15 2HG PRO 15 -16.540 -9.795 -9.795 119 2HG PRO 15 1HG PRO 15 -15.086 -8.797 -8.797 120 1HD PRO 15 2HD PRO 15 -16.304 -9.509 -9.509 121 2HD PRO 15 1HD PRO 15 -15.116 -8.202 -8.202 122 H ILE 16 H ILE 16 -19.944 -6.187 -6.187 123 HA ILE 16 HA ILE 16 -21.771 -8.218 -8.218 124 HB ILE 16 HB ILE 16 -23.028 -8.227 -8.227 125 1HG1 ILE 16 2HG1 ILE 16 -20.491 -6.989 -6.989 126 2HG1 ILE 16 1HG1 ILE 16 -21.955 -6.059 -6.059 127 1HG2 ILE 16 3HG2 ILE 16 -21.444 -10.033 -10.033 128 2HG2 ILE 16 2HG2 ILE 16 -20.142 -9.143 -9.143 129 3HG2 ILE 16 1HG2 ILE 16 -21.485 -9.772 -9.772 130 1HD1 ILE 16 3HD1 ILE 16 -23.221 -7.574 -7.574 131 2HD1 ILE 16 2HD1 ILE 16 -21.723 -8.434 -8.434 132 3HD1 ILE 16 1HD1 ILE 16 -21.907 -6.747 -6.747 133 H ILE 17 H ILE 17 -24.168 -7.177 -7.177 134 HA ILE 17 HA ILE 17 -24.118 -4.377 -4.377 135 HB ILE 17 HB ILE 17 -25.321 -5.997 -5.997 136 1HG1 ILE 17 2HG1 ILE 17 -27.679 -4.576 -4.576 137 2HG1 ILE 17 1HG1 ILE 17 -26.272 -3.517 -3.517 138 1HG2 ILE 17 1HG2 ILE 17 -26.501 -6.743 -6.743 139 2HG2 ILE 17 3HG2 ILE 17 -27.678 -6.579 -6.579 140 3HG2 ILE 17 2HG2 ILE 17 -26.322 -7.694 -7.694 141 1HD1 ILE 17 1HD1 ILE 17 -26.299 -5.099 -5.099 142 2HD1 ILE 17 3HD1 ILE 17 -27.828 -4.241 -4.241 143 3HD1 ILE 17 2HD1 ILE 17 -26.309 -3.346 -3.346 144 H ASN 18 H ASN 18 -23.577 -4.980 -4.980 145 HA ASN 18 HA ASN 18 -25.718 -3.399 -3.399 146 1HB ASN 18 2HB ASN 18 -24.887 -6.126 -6.126 147 2HB ASN 18 1HB ASN 18 -26.042 -5.023 -5.023 148 1HD2 ASN 18 2HD2 ASN 18 -27.374 -7.578 -7.578 149 2HD2 ASN 18 1HD2 ASN 18 -25.874 -7.728 -7.728 150 H CYS 19 H CYS 19 -24.291 -1.764 -1.764 151 HA CYS 19 HA CYS 19 -21.628 -2.341 -2.341 152 1HB CYS 19 2HB CYS 19 -22.964 0.372 0.372 153 2HB CYS 19 1HB CYS 19 -21.248 -0.009 -0.009 154 H ASN 20 H ASN 20 -24.725 -2.323 -2.323 155 HA ASN 20 HA ASN 20 -23.974 -1.111 -1.111 156 1HB ASN 20 2HB ASN 20 -26.266 -2.008 -2.008 157 2HB ASN 20 1HB ASN 20 -26.248 -0.777 -0.777 158 1HD2 ASN 20 2HD2 ASN 20 -27.677 -4.490 -4.490 159 2HD2 ASN 20 1HD2 ASN 20 -27.062 -4.120 -4.120 160 H THR 21 H THR 21 -24.951 -4.450 -4.450 161 HA THR 21 HA THR 21 -24.369 -5.606 -5.606 162 HB THR 21 HB THR 21 -24.121 -7.143 -7.143 163 HG1 THR 21 HG1 THR 21 -26.293 -7.163 -7.163 164 1HG2 THR 21 3HG2 THR 21 -24.088 -7.837 -7.837 165 2HG2 THR 21 2HG2 THR 21 -25.677 -8.310 -8.310 166 3HG2 THR 21 1HG2 THR 21 -24.224 -8.930 -8.930 167 H ILE 22 H ILE 22 -22.211 -4.651 -4.651 168 HA ILE 22 HA ILE 22 -20.006 -6.319 -6.319 169 HB ILE 22 HB ILE 22 -18.632 -5.012 -5.012 170 1HG1 ILE 22 2HG1 ILE 22 -21.299 -4.051 -4.051 171 2HG1 ILE 22 1HG1 ILE 22 -20.329 -3.057 -3.057 172 1HG2 ILE 22 1HG2 ILE 22 -21.005 -6.721 -6.721 173 2HG2 ILE 22 3HG2 ILE 22 -20.108 -6.000 -6.000 174 3HG2 ILE 22 2HG2 ILE 22 -19.287 -7.066 -7.066 175 1HD1 ILE 22 3HD1 ILE 22 -18.388 -3.621 -3.621 176 2HD1 ILE 22 2HD1 ILE 22 -19.718 -3.948 -3.948 177 3HD1 ILE 22 1HD1 ILE 22 -19.545 -2.348 -2.348 178 H MET 23 H MET 23 -21.081 -2.954 -2.954 179 HA MET 23 HA MET 23 -18.709 -2.244 -2.244 180 1HB MET 23 2HB MET 23 -20.709 -0.762 -0.762 181 2HB MET 23 1HB MET 23 -20.247 0.021 0.021 182 1HG MET 23 2HG MET 23 -18.780 0.687 0.687 183 2HG MET 23 1HG MET 23 -17.885 -0.110 -0.110 184 1HE MET 23 2HE MET 23 -16.815 -1.790 -1.790 185 2HE MET 23 1HE MET 23 -16.986 -3.309 -3.309 186 3HE MET 23 3HE MET 23 -15.813 -2.102 -2.102 187 H ASP 24 H ASP 24 -21.323 -3.897 -3.897 188 HA ASP 24 HA ASP 24 -22.550 -2.384 -2.384 189 1HB ASP 24 2HB ASP 24 -22.419 -5.310 -5.310 190 2HB ASP 24 1HB ASP 24 -23.121 -4.824 -4.824 191 H ASN 25 H ASN 25 -20.785 -1.488 -1.488 192 HA ASN 25 HA ASN 25 -19.665 -3.117 -3.117 193 1HB ASN 25 2HB ASN 25 -18.258 -3.769 -3.769 194 2HB ASN 25 1HB ASN 25 -17.701 -2.117 -2.117 195 1HD2 ASN 25 2HD2 ASN 25 -15.053 -3.405 -3.405 196 2HD2 ASN 25 1HD2 ASN 25 -15.494 -2.997 -2.997 197 H ASN 26 H ASN 26 -18.538 -1.801 -1.801 198 HA ASN 26 HA ASN 26 -19.353 0.981 0.981 199 1HB ASN 26 2HB ASN 26 -17.810 1.074 1.074 200 2HB ASN 26 1HB ASN 26 -19.045 -0.183 -0.183 201 1HD2 ASN 26 2HD2 ASN 26 -16.658 -2.748 -2.748 202 2HD2 ASN 26 1HD2 ASN 26 -18.257 -2.228 -2.228 203 H ILE 27 H ILE 27 -16.731 -0.574 -0.574 204 HA ILE 27 HA ILE 27 -14.915 1.741 1.741 205 HB ILE 27 HB ILE 27 -14.718 -0.766 -0.766 206 1HG1 ILE 27 2HG1 ILE 27 -13.455 -0.132 -0.132 207 2HG1 ILE 27 1HG1 ILE 27 -14.849 -1.190 -1.190 208 1HG2 ILE 27 3HG2 ILE 27 -12.995 1.612 1.612 209 2HG2 ILE 27 2HG2 ILE 27 -12.179 0.050 0.050 210 3HG2 ILE 27 1HG2 ILE 27 -13.098 0.560 0.560 211 1HD1 ILE 27 2HD1 ILE 27 -13.223 -2.334 -2.334 212 2HD1 ILE 27 1HD1 ILE 27 -11.992 -1.648 -1.648 213 3HD1 ILE 27 3HD1 ILE 27 -13.181 -2.778 -2.778 214 H TYR 28 H TYR 28 -17.739 1.472 1.472 215 HA TYR 28 HA TYR 28 -16.843 3.165 3.165 216 1HB TYR 28 2HB TYR 28 -18.468 0.618 0.618 217 2HB TYR 28 1HB TYR 28 -18.505 1.867 1.867 218 HD1 TYR 28 HD2 TYR 28 -16.143 2.730 2.730 219 HD2 TYR 28 HD1 TYR 28 -16.864 -1.068 -1.068 220 HE1 TYR 28 HE2 TYR 28 -14.056 1.849 1.849 221 HE2 TYR 28 HE1 TYR 28 -14.766 -1.947 -1.947 222 HH TYR 28 HH TYR 28 -12.369 -0.121 -0.121 223 H ILE 29 H ILE 29 -17.956 4.543 4.543 224 HA ILE 29 HA ILE 29 -20.773 5.030 5.030 225 HB ILE 29 HB ILE 29 -20.082 4.658 4.658 226 1HG1 ILE 29 2HG1 ILE 29 -21.563 2.753 2.753 227 2HG1 ILE 29 1HG1 ILE 29 -19.922 2.502 2.502 228 1HG2 ILE 29 2HG2 ILE 29 -22.466 5.475 5.475 229 2HG2 ILE 29 1HG2 ILE 29 -22.769 4.379 4.379 230 3HG2 ILE 29 3HG2 ILE 29 -21.987 5.935 5.935 231 1HD1 ILE 29 2HD1 ILE 29 -22.374 2.796 2.796 232 2HD1 ILE 29 1HD1 ILE 29 -21.568 1.275 1.275 233 3HD1 ILE 29 3HD1 ILE 29 -20.727 2.506 2.506 234 H VAL 30 H VAL 30 -21.558 7.059 7.059 235 HA VAL 30 HA VAL 30 -19.476 9.105 9.105 236 HB VAL 30 HB VAL 30 -22.191 9.449 9.449 237 1HG1 VAL 30 1HG1 VAL 30 -19.945 11.336 11.336 238 2HG1 VAL 30 3HG1 VAL 30 -21.031 11.681 11.681 239 3HG1 VAL 30 2HG1 VAL 30 -21.676 11.526 11.526 240 1HG2 VAL 30 2HG2 VAL 30 -19.373 9.130 9.130 241 2HG2 VAL 30 1HG2 VAL 30 -20.845 8.324 8.324 242 3HG2 VAL 30 3HG2 VAL 30 -20.573 10.024 10.024 243 H GLY 31 H GLY 31 -20.537 11.006 11.006 244 1HA GLY 31 2HA GLY 31 -21.989 9.742 9.742 245 2HA GLY 31 1HA GLY 31 -21.251 11.343 11.343 246 H GLY 32 H GLY 32 -23.661 9.768 9.768 247 1HA GLY 32 2HA GLY 32 -25.840 11.471 11.471 248 2HA GLY 32 1HA GLY 32 -25.227 11.932 11.932 249 H GLN 33 H GLN 33 -24.716 9.689 9.689 250 HA GLN 33 HA GLN 33 -26.682 7.560 7.560 251 1HB GLN 33 2HB GLN 33 -27.712 9.828 9.828 252 2HB GLN 33 1HB GLN 33 -27.203 8.890 8.890 253 1HG GLN 33 2HG GLN 33 -28.670 7.159 7.159 254 2HG GLN 33 1HG GLN 33 -28.691 7.487 7.487 255 1HE2 GLN 33 2HE2 GLN 33 -31.635 9.379 9.379 256 2HE2 GLN 33 1HE2 GLN 33 -30.636 8.382 8.382 257 H CYS 34 H CYS 34 -25.266 9.154 9.154 258 HA CYS 34 HA CYS 34 -23.404 6.866 6.866 259 1HB CYS 34 2HB CYS 34 -25.197 7.986 7.986 260 2HB CYS 34 1HB CYS 34 -24.018 6.691 6.691 261 H LYS 35 H LYS 35 -22.254 7.643 7.643 262 HA LYS 35 HA LYS 35 -21.282 10.418 10.418 263 1HB LYS 35 2HB LYS 35 -19.763 8.144 8.144 264 2HB LYS 35 1HB LYS 35 -19.565 8.644 8.644 265 1HG LYS 35 2HG LYS 35 -19.237 11.037 11.037 266 2HG LYS 35 1HG LYS 35 -18.688 10.008 10.008 267 1HD LYS 35 2HD LYS 35 -16.907 9.140 9.140 268 2HD LYS 35 1HD LYS 35 -17.666 9.515 9.515 269 1HE LYS 35 2HE LYS 35 -15.744 11.034 11.034 270 2HE LYS 35 1HE LYS 35 -17.267 11.885 11.885 271 1HZ LYS 35 2HZ LYS 35 -16.639 11.018 11.018 272 2HZ LYS 35 1HZ LYS 35 -15.778 12.344 12.344 273 3HZ LYS 35 3HZ LYS 35 -17.470 12.399 12.399 274 H ARG 36 H ARG 36 -20.417 11.512 11.512 275 HA ARG 36 HA ARG 36 -22.479 11.425 11.425 276 1HB ARG 36 2HB ARG 36 -21.019 13.444 13.444 277 2HB ARG 36 1HB ARG 36 -19.933 12.953 12.953 278 1HG ARG 36 2HG ARG 36 -21.758 13.141 13.141 279 2HG ARG 36 1HG ARG 36 -22.883 13.572 13.572 280 1HD ARG 36 2HD ARG 36 -22.336 15.715 15.715 281 2HD ARG 36 1HD ARG 36 -20.855 15.392 15.392 282 HE ARG 36 HE ARG 36 -20.953 14.871 14.871 283 1HH1 ARG 36 1HH2 ARG 36 -18.863 15.122 15.122 284 2HH1 ARG 36 2HH2 ARG 36 -17.843 16.337 16.337 285 1HH2 ARG 36 2HH1 ARG 36 -19.992 17.009 17.009 286 2HH2 ARG 36 1HH1 ARG 36 -18.484 17.408 17.408 287 H VAL 37 H VAL 37 -19.410 9.865 9.865 288 HA VAL 37 HA VAL 37 -19.710 8.489 8.489 289 HB VAL 37 HB VAL 37 -18.605 10.643 10.643 290 1HG1 VAL 37 1HG1 VAL 37 -17.285 10.864 10.864 291 2HG1 VAL 37 3HG1 VAL 37 -16.186 9.653 9.653 292 3HG1 VAL 37 2HG1 VAL 37 -16.395 11.194 11.194 293 1HG2 VAL 37 2HG2 VAL 37 -18.191 8.229 8.229 294 2HG2 VAL 37 1HG2 VAL 37 -17.179 9.572 9.572 295 3HG2 VAL 37 3HG2 VAL 37 -16.579 8.445 8.445 296 H ASN 38 H ASN 38 -19.256 6.487 6.487 297 HA ASN 38 HA ASN 38 -17.046 5.846 5.846 298 1HB ASN 38 2HB ASN 38 -19.422 4.065 4.065 299 2HB ASN 38 1HB ASN 38 -18.216 3.807 3.807 300 1HD2 ASN 38 2HD2 ASN 38 -20.227 5.500 5.500 301 2HD2 ASN 38 1HD2 ASN 38 -19.199 4.194 4.194 302 H THR 39 H THR 39 -15.547 5.970 5.970 303 HA THR 39 HA THR 39 -15.924 4.325 4.325 304 HB THR 39 HB THR 39 -13.433 5.837 5.837 305 HG1 THR 39 HG1 THR 39 -14.358 7.597 7.597 306 1HG2 THR 39 3HG2 THR 39 -13.284 4.275 4.275 307 2HG2 THR 39 2HG2 THR 39 -14.636 5.107 5.107 308 3HG2 THR 39 1HG2 THR 39 -13.111 5.955 5.955 309 H PHE 40 H PHE 40 -15.306 2.308 2.308 310 HA PHE 40 HA PHE 40 -13.255 1.167 1.167 311 1HB PHE 40 2HB PHE 40 -15.248 -0.365 -0.365 312 2HB PHE 40 1HB PHE 40 -14.327 -0.964 -0.964 313 HD1 PHE 40 HD1 PHE 40 -14.650 0.892 0.892 314 HD2 PHE 40 HD2 PHE 40 -17.521 -0.236 -0.236 315 HE1 PHE 40 HE1 PHE 40 -16.498 1.551 1.551 316 HE2 PHE 40 HE2 PHE 40 -19.360 0.426 0.426 317 HZ PHE 40 HZ PHE 40 -18.852 1.321 1.321 318 H ILE 41 H ILE 41 -11.752 -0.490 -0.490 319 HA ILE 41 HA ILE 41 -11.483 0.142 0.142 320 HB ILE 41 HB ILE 41 -9.214 0.064 0.064 321 1HG1 ILE 41 2HG1 ILE 41 -10.408 2.298 2.298 322 2HG1 ILE 41 1HG1 ILE 41 -10.582 2.121 2.121 323 1HG2 ILE 41 3HG2 ILE 41 -9.268 0.375 0.375 324 2HG2 ILE 41 2HG2 ILE 41 -7.873 0.797 0.797 325 3HG2 ILE 41 1HG2 ILE 41 -8.437 -0.872 -0.872 326 1HD1 ILE 41 2HD1 ILE 41 -8.019 2.186 2.186 327 2HD1 ILE 41 1HD1 ILE 41 -8.070 2.733 2.733 328 3HD1 ILE 41 3HD1 ILE 41 -8.824 3.700 3.700 329 H ILE 42 H ILE 42 -11.212 -1.608 -1.608 330 HA ILE 42 HA ILE 42 -10.951 -4.273 -4.273 331 HB ILE 42 HB ILE 42 -11.626 -3.877 -3.877 332 1HG1 ILE 42 2HG1 ILE 42 -13.218 -2.475 -2.475 333 2HG1 ILE 42 1HG1 ILE 42 -14.024 -3.906 -3.906 334 1HG2 ILE 42 2HG2 ILE 42 -11.847 -6.037 -6.037 335 2HG2 ILE 42 1HG2 ILE 42 -13.026 -5.994 -5.994 336 3HG2 ILE 42 3HG2 ILE 42 -11.306 -6.135 -6.135 337 1HD1 ILE 42 2HD1 ILE 42 -13.106 -4.759 -4.759 338 2HD1 ILE 42 1HD1 ILE 42 -13.597 -3.093 -3.093 339 3HD1 ILE 42 3HD1 ILE 42 -14.754 -4.245 -4.245 340 H SER 43 H SER 43 -8.875 -4.875 -4.875 341 HA SER 43 HA SER 43 -7.265 -5.532 -5.532 342 1HB SER 43 2HB SER 43 -7.026 -3.118 -3.118 343 2HB SER 43 1HB SER 43 -6.536 -2.897 -2.897 344 HG SER 43 HG SER 43 -4.602 -3.553 -3.553 345 H SER 44 H SER 44 -5.313 -6.569 -6.569 346 HA SER 44 HA SER 44 -5.303 -7.721 -7.721 347 1HB SER 44 2HB SER 44 -2.876 -8.355 -8.355 348 2HB SER 44 1HB SER 44 -4.163 -8.944 -8.944 349 HG SER 44 HG SER 44 -2.993 -7.985 -7.985 350 H ALA 45 H ALA 45 -4.525 -6.959 -6.959 351 HA ALA 45 HA ALA 45 -3.852 -4.293 -4.293 352 1HB ALA 45 1HB ALA 45 -4.446 -6.130 -6.130 353 2HB ALA 45 3HB ALA 45 -2.743 -6.584 -6.584 354 3HB ALA 45 2HB ALA 45 -3.212 -4.979 -4.979 355 H THR 46 H THR 46 -1.748 -6.828 -6.828 356 HA THR 46 HA THR 46 0.693 -5.341 -5.341 357 HB THR 46 HB THR 46 0.717 -7.760 -7.760 358 HG1 THR 46 HG1 THR 46 2.290 -6.765 -6.765 359 1HG2 THR 46 3HG2 THR 46 -0.579 -7.542 -7.542 360 2HG2 THR 46 2HG2 THR 46 0.890 -8.495 -8.495 361 3HG2 THR 46 1HG2 THR 46 -0.343 -8.978 -8.978 362 H THR 47 H THR 47 -1.306 -5.777 -5.777 363 HA THR 47 HA THR 47 0.576 -4.687 -4.687 364 HB THR 47 HB THR 47 -1.628 -3.957 -3.957 365 HG1 THR 47 HG1 THR 47 -3.402 -5.217 -5.217 366 1HG2 THR 47 3HG2 THR 47 -0.823 -6.802 -6.802 367 2HG2 THR 47 2HG2 THR 47 -2.093 -6.414 -6.414 368 3HG2 THR 47 1HG2 THR 47 -0.448 -5.840 -5.840 369 H VAL 48 H VAL 48 -1.823 -3.325 -3.325 370 HA VAL 48 HA VAL 48 -1.440 -0.560 -0.560 371 HB VAL 48 HB VAL 48 -2.441 -1.632 -1.632 372 1HG1 VAL 48 1HG1 VAL 48 -1.851 0.805 0.805 373 2HG1 VAL 48 3HG1 VAL 48 -3.038 0.959 0.959 374 3HG1 VAL 48 2HG1 VAL 48 -3.559 0.512 0.512 375 1HG2 VAL 48 3HG2 VAL 48 -3.680 -1.496 -1.496 376 2HG2 VAL 48 2HG2 VAL 48 -4.002 -2.612 -2.612 377 3HG2 VAL 48 1HG2 VAL 48 -4.687 -0.987 -0.987 378 H LYS 49 H LYS 49 -0.049 -2.772 -2.772 379 HA LYS 49 HA LYS 49 1.517 -0.926 -0.926 380 1HB LYS 49 2HB LYS 49 1.097 -3.251 -3.251 381 2HB LYS 49 1HB LYS 49 2.043 -3.853 -3.853 382 1HG LYS 49 2HG LYS 49 3.964 -2.388 -2.388 383 2HG LYS 49 1HG LYS 49 2.997 -2.364 -2.364 384 1HD LYS 49 2HD LYS 49 3.061 -4.761 -4.761 385 2HD LYS 49 1HD LYS 49 3.764 -4.918 -4.918 386 1HE LYS 49 2HE LYS 49 5.860 -4.188 -4.188 387 2HE LYS 49 1HE LYS 49 5.210 -3.278 -3.278 388 1HZ LYS 49 3HZ LYS 49 5.010 -6.221 -6.221 389 2HZ LYS 49 2HZ LYS 49 6.410 -5.460 -5.460 390 3HZ LYS 49 1HZ LYS 49 4.915 -5.201 -5.201 391 H ALA 50 H ALA 50 1.914 -2.272 -2.272 392 HA ALA 50 HA ALA 50 4.768 -1.664 -1.664 393 1HB ALA 50 2HB ALA 50 2.803 -3.084 -3.084 394 2HB ALA 50 1HB ALA 50 3.764 -2.001 -2.001 395 3HB ALA 50 3HB ALA 50 4.560 -3.218 -3.218 396 H ILE 51 H ILE 51 1.720 -0.117 -0.117 397 HA ILE 51 HA ILE 51 2.977 1.929 1.929 398 HB ILE 51 HB ILE 51 0.563 1.368 1.368 399 1HG1 ILE 51 2HG1 ILE 51 -0.241 3.773 3.773 400 2HG1 ILE 51 1HG1 ILE 51 1.305 4.221 4.221 401 1HG2 ILE 51 2HG2 ILE 51 0.639 2.141 2.141 402 2HG2 ILE 51 1HG2 ILE 51 -0.683 2.878 2.878 403 3HG2 ILE 51 3HG2 ILE 51 -0.512 1.127 1.127 404 1HD1 ILE 51 1HD1 ILE 51 1.377 2.489 2.489 405 2HD1 ILE 51 3HD1 ILE 51 0.945 4.183 4.183 406 3HD1 ILE 51 2HD1 ILE 51 2.491 3.758 3.758 407 H CYS 52 H CYS 52 2.589 1.565 1.565 408 HA CYS 52 HA CYS 52 3.376 4.397 4.397 409 1HB CYS 52 2HB CYS 52 1.490 2.831 2.831 410 2HB CYS 52 1HB CYS 52 2.864 2.756 2.756 411 H THR 53 H THR 53 5.208 2.223 2.223 412 HA THR 53 HA THR 53 7.032 1.799 1.799 413 HB THR 53 HB THR 53 7.539 1.013 1.013 414 HG1 THR 53 HG1 THR 53 6.057 -0.312 -0.312 415 1HG2 THR 53 3HG2 THR 53 8.487 0.019 0.019 416 2HG2 THR 53 2HG2 THR 53 8.817 -0.813 -0.813 417 3HG2 THR 53 1HG2 THR 53 9.456 0.808 0.808 418 H GLY 54 H GLY 54 8.409 3.434 3.434 419 1HA GLY 54 2HA GLY 54 10.110 4.615 4.615 420 2HA GLY 54 1HA GLY 54 8.969 5.763 5.763 421 H VAL 55 H VAL 55 8.929 5.523 5.523 422 HA VAL 55 HA VAL 55 11.484 4.849 4.849 423 HB VAL 55 HB VAL 55 11.735 7.128 7.128 424 1HG1 VAL 55 1HG1 VAL 55 9.482 7.894 7.894 425 2HG1 VAL 55 3HG1 VAL 55 10.582 8.369 8.369 426 3HG1 VAL 55 2HG1 VAL 55 10.780 9.041 9.041 427 1HG2 VAL 55 2HG2 VAL 55 12.923 6.047 6.047 428 2HG2 VAL 55 1HG2 VAL 55 13.520 7.426 7.426 429 3HG2 VAL 55 3HG2 VAL 55 12.515 7.687 7.687 430 H ILE 56 H ILE 56 11.202 6.237 6.237 431 HA ILE 56 HA ILE 56 8.786 4.926 4.926 432 HB ILE 56 HB ILE 56 9.754 5.538 5.538 433 1HG1 ILE 56 2HG1 ILE 56 12.216 6.509 6.509 434 2HG1 ILE 56 1HG1 ILE 56 10.881 7.636 7.636 435 1HG2 ILE 56 3HG2 ILE 56 11.499 4.178 4.178 436 2HG2 ILE 56 2HG2 ILE 56 11.943 4.244 4.244 437 3HG2 ILE 56 1HG2 ILE 56 10.458 3.432 3.432 438 1HD1 ILE 56 1HD1 ILE 56 10.882 7.013 7.013 439 2HD1 ILE 56 3HD1 ILE 56 12.356 6.089 6.089 440 3HD1 ILE 56 2HD1 ILE 56 12.347 7.836 7.836 441 H ASN 57 H ASN 57 8.598 7.460 7.460 442 HA ASN 57 HA ASN 57 6.421 8.777 8.777 443 1HB ASN 57 2HB ASN 57 8.434 9.501 9.501 444 2HB ASN 57 1HB ASN 57 8.860 10.535 10.535 445 1HD2 ASN 57 2HD2 ASN 57 6.092 11.866 11.866 446 2HD2 ASN 57 1HD2 ASN 57 7.279 10.711 10.711 447 H MET 58 H MET 58 5.466 9.352 9.352 448 HA MET 58 HA MET 58 6.875 11.138 11.138 449 1HB MET 58 2HB MET 58 7.423 8.556 8.556 450 2HB MET 58 1HB MET 58 5.882 8.622 8.622 451 1HG MET 58 2HG MET 58 7.401 10.934 10.934 452 2HG MET 58 1HG MET 58 8.433 9.514 9.514 453 1HE MET 58 2HE MET 58 8.416 10.721 10.721 454 2HE MET 58 1HE MET 58 7.709 9.867 9.867 455 3HE MET 58 3HE MET 58 6.921 11.313 11.313 456 H ASN 59 H ASN 59 5.464 11.394 11.394 457 HA ASN 59 HA ASN 59 2.543 11.162 11.162 458 1HB ASN 59 2HB ASN 59 3.321 13.452 13.452 459 2HB ASN 59 1HB ASN 59 3.912 13.709 13.709 460 1HD2 ASN 59 2HD2 ASN 59 0.619 14.013 14.013 461 2HD2 ASN 59 1HD2 ASN 59 2.215 13.566 13.566 462 H VAL 60 H VAL 60 1.773 10.054 10.054 463 HA VAL 60 HA VAL 60 2.675 10.830 10.830 464 HB VAL 60 HB VAL 60 4.283 9.097 9.097 465 1HG1 VAL 60 1HG1 VAL 60 1.770 7.613 7.613 466 2HG1 VAL 60 3HG1 VAL 60 3.260 6.745 6.745 467 3HG1 VAL 60 2HG1 VAL 60 3.216 7.892 7.892 468 1HG2 VAL 60 2HG2 VAL 60 3.343 9.127 9.127 469 2HG2 VAL 60 1HG2 VAL 60 3.964 7.558 7.558 470 3HG2 VAL 60 3HG2 VAL 60 2.226 7.858 7.858 471 H LEU 61 H LEU 61 1.271 9.699 9.699 472 HA LEU 61 HA LEU 61 -1.416 9.020 9.020 473 1HB LEU 61 2HB LEU 61 -0.907 10.497 10.497 474 2HB LEU 61 1HB LEU 61 -2.461 10.232 10.232 475 HG LEU 61 HG LEU 61 -1.264 11.472 11.472 476 1HD1 LEU 61 3HD1 LEU 61 0.443 11.986 11.986 477 2HD1 LEU 61 2HD1 LEU 61 0.058 13.385 13.385 478 3HD1 LEU 61 1HD1 LEU 61 0.869 11.989 11.989 479 1HD2 LEU 61 2HD2 LEU 61 -2.599 12.552 12.552 480 2HD2 LEU 61 1HD2 LEU 61 -3.195 12.494 12.494 481 3HD2 LEU 61 3HD2 LEU 61 -1.984 13.689 13.689 482 H SER 62 H SER 62 -2.146 7.060 7.060 483 HA SER 62 HA SER 62 -0.785 5.273 5.273 484 1HB SER 62 2HB SER 62 -3.717 4.910 4.910 485 2HB SER 62 1HB SER 62 -2.411 3.772 3.772 486 HG SER 62 HG SER 62 -3.079 4.159 4.159 487 H THR 63 H THR 63 -0.377 6.391 6.391 488 HA THR 63 HA THR 63 -2.592 7.622 7.622 489 HB THR 63 HB THR 63 -0.686 7.916 7.916 490 HG1 THR 63 HG1 THR 63 0.779 6.466 6.466 491 1HG2 THR 63 2HG2 THR 63 -1.314 9.290 9.290 492 2HG2 THR 63 1HG2 THR 63 0.398 9.466 9.466 493 3HG2 THR 63 3HG2 THR 63 -0.823 9.964 9.964 494 H THR 64 H THR 64 -0.926 4.560 4.560 495 HA THR 64 HA THR 64 -1.395 3.721 3.721 496 HB THR 64 HB THR 64 -1.300 2.032 2.032 497 HG1 THR 64 HG1 THR 64 0.570 3.214 3.214 498 1HG2 THR 64 3HG2 THR 64 -1.476 1.412 1.412 499 2HG2 THR 64 2HG2 THR 64 -0.319 0.466 0.466 500 3HG2 THR 64 1HG2 THR 64 -2.026 0.469 0.469 501 H ARG 65 H ARG 65 -3.221 2.010 2.010 502 HA ARG 65 HA ARG 65 -5.829 2.973 2.973 503 1HB ARG 65 2HB ARG 65 -5.702 2.407 2.407 504 2HB ARG 65 1HB ARG 65 -4.927 0.864 0.864 505 1HG ARG 65 2HG ARG 65 -6.976 -0.047 -0.047 506 2HG ARG 65 1HG ARG 65 -7.756 1.527 1.527 507 1HD ARG 65 2HD ARG 65 -7.941 1.519 1.519 508 2HD ARG 65 1HD ARG 65 -6.666 0.314 0.314 509 HE ARG 65 HE ARG 65 -9.443 -0.273 -0.273 510 1HH1 ARG 65 1HH2 ARG 65 -6.878 -1.957 -1.957 511 2HH1 ARG 65 2HH2 ARG 65 -7.076 -3.273 -3.273 512 1HH2 ARG 65 2HH1 ARG 65 -9.484 -1.657 -1.657 513 2HH2 ARG 65 1HH1 ARG 65 -8.555 -3.106 -3.106 514 H PHE 66 H PHE 66 -6.062 2.353 2.353 515 HA PHE 66 HA PHE 66 -5.823 -0.587 -0.587 516 1HB PHE 66 2HB PHE 66 -5.768 1.872 1.872 517 2HB PHE 66 1HB PHE 66 -5.959 0.248 0.248 518 HD1 PHE 66 HD2 PHE 66 -3.653 2.573 2.573 519 HD2 PHE 66 HD1 PHE 66 -4.125 -1.396 -1.396 520 HE1 PHE 66 HE2 PHE 66 -1.218 2.196 2.196 521 HE2 PHE 66 HE1 PHE 66 -1.685 -1.752 -1.752 522 HZ PHE 66 HZ PHE 66 -0.232 0.040 0.040 523 H GLN 67 H GLN 67 -7.958 -0.272 -0.272 524 HA GLN 67 HA GLN 67 -10.379 0.426 0.426 525 1HB GLN 67 2HB GLN 67 -11.344 -1.848 -1.848 526 2HB GLN 67 1HB GLN 67 -9.876 -1.782 -1.782 527 1HG GLN 67 2HG GLN 67 -8.727 -2.354 -2.354 528 2HG GLN 67 1HG GLN 67 -10.319 -3.035 -3.035 529 1HE2 GLN 67 2HE2 GLN 67 -7.820 -4.982 -4.982 530 2HE2 GLN 67 1HE2 GLN 67 -7.348 -3.565 -3.565 531 H LEU 68 H LEU 68 -11.637 1.513 1.513 532 HA LEU 68 HA LEU 68 -11.735 0.479 0.479 533 1HB LEU 68 2HB LEU 68 -12.861 2.758 2.758 534 2HB LEU 68 1HB LEU 68 -11.140 2.730 2.730 535 HG LEU 68 HG LEU 68 -11.467 3.550 3.550 536 1HD1 LEU 68 3HD1 LEU 68 -14.379 2.971 2.971 537 2HD1 LEU 68 2HD1 LEU 68 -13.883 4.118 4.118 538 3HD1 LEU 68 1HD1 LEU 68 -13.389 2.430 2.430 539 1HD2 LEU 68 3HD2 LEU 68 -11.613 5.225 5.225 540 2HD2 LEU 68 2HD2 LEU 68 -12.610 5.684 5.684 541 3HD2 LEU 68 1HD2 LEU 68 -13.355 4.991 4.991 542 H ASN 69 H ASN 69 -13.695 0.489 0.489 543 HA ASN 69 HA ASN 69 -16.205 0.120 0.120 544 1HB ASN 69 2HB ASN 69 -15.126 -1.909 -1.909 545 2HB ASN 69 1HB ASN 69 -15.833 -1.086 -1.086 546 1HD2 ASN 69 2HD2 ASN 69 -18.235 -3.100 -3.100 547 2HD2 ASN 69 1HD2 ASN 69 -16.556 -3.023 -3.023 548 H THR 70 H THR 70 -16.986 2.270 2.270 549 HA THR 70 HA THR 70 -16.843 3.422 3.422 550 HB THR 70 HB THR 70 -17.747 4.807 4.807 551 HG1 THR 70 HG1 THR 70 -15.735 4.913 4.913 552 1HG2 THR 70 3HG2 THR 70 -17.702 5.570 5.570 553 2HG2 THR 70 2HG2 THR 70 -16.308 6.362 6.362 554 3HG2 THR 70 1HG2 THR 70 -17.921 6.624 6.624 555 H CYS 71 H CYS 71 -18.503 3.562 3.562 556 HA CYS 71 HA CYS 71 -21.300 3.321 3.321 557 1HB CYS 71 2HB CYS 71 -20.270 2.693 2.693 558 2HB CYS 71 1HB CYS 71 -21.949 2.585 2.585 559 H THR 72 H THR 72 -21.850 5.481 5.481 560 HA THR 72 HA THR 72 -20.882 7.419 7.419 561 HB THR 72 HB THR 72 -22.149 8.127 8.127 562 HG1 THR 72 HG1 THR 72 -20.321 7.709 7.709 563 1HG2 THR 72 1HG2 THR 72 -20.281 9.513 9.513 564 2HG2 THR 72 3HG2 THR 72 -20.547 10.088 10.088 565 3HG2 THR 72 2HG2 THR 72 -21.892 10.025 10.025 566 H ARG 73 H ARG 73 -22.263 8.832 8.832 567 HA ARG 73 HA ARG 73 -24.978 8.001 8.001 568 1HB ARG 73 2HB ARG 73 -23.334 9.310 9.310 569 2HB ARG 73 1HB ARG 73 -23.930 10.732 10.732 570 1HG ARG 73 2HG ARG 73 -26.290 9.863 9.863 571 2HG ARG 73 1HG ARG 73 -25.501 8.774 8.774 572 1HD ARG 73 2HD ARG 73 -26.020 10.654 10.654 573 2HD ARG 73 1HD ARG 73 -24.328 10.910 10.910 574 HE ARG 73 HE ARG 73 -25.397 12.323 12.323 575 1HH1 ARG 73 2HH1 ARG 73 -25.406 12.798 12.798 576 2HH1 ARG 73 1HH1 ARG 73 -26.686 13.965 13.965 577 1HH2 ARG 73 1HH2 ARG 73 -27.563 13.462 13.462 578 2HH2 ARG 73 2HH2 ARG 73 -27.908 14.338 14.338 579 H THR 74 H THR 74 -26.891 8.819 8.819 580 HA THR 74 HA THR 74 -26.578 10.920 10.920 581 HB THR 74 HB THR 74 -28.710 9.739 9.739 582 HG1 THR 74 HG1 THR 74 -29.057 7.749 7.749 583 1HG2 THR 74 1HG2 THR 74 -25.950 8.496 8.496 584 2HG2 THR 74 3HG2 THR 74 -27.243 8.175 8.175 585 3HG2 THR 74 2HG2 THR 74 -26.551 9.793 9.793 586 H SER 75 H SER 75 -29.613 9.538 9.538 587 HA SER 75 HA SER 75 -30.220 12.162 12.162 588 1HB SER 75 2HB SER 75 -32.255 10.697 10.697 589 2HB SER 75 1HB SER 75 -32.329 12.346 12.346 590 HG SER 75 HG SER 75 -31.512 11.660 11.660 591 H ILE 76 H ILE 76 -30.658 11.713 11.713 592 HA ILE 76 HA ILE 76 -31.289 9.111 9.111 593 HB ILE 76 HB ILE 76 -31.750 11.809 11.809 594 1HG1 ILE 76 2HG1 ILE 76 -29.342 10.194 10.194 595 2HG1 ILE 76 1HG1 ILE 76 -29.355 10.923 10.923 596 1HG2 ILE 76 2HG2 ILE 76 -32.724 9.575 9.575 597 2HG2 ILE 76 1HG2 ILE 76 -31.047 9.236 9.236 598 3HG2 ILE 76 3HG2 ILE 76 -31.850 10.665 10.665 599 1HD1 ILE 76 3HD1 ILE 76 -30.272 12.786 12.786 600 2HD1 ILE 76 2HD1 ILE 76 -28.636 12.203 12.203 601 3HD1 ILE 76 1HD1 ILE 76 -29.022 12.995 12.995 602 H THR 77 H THR 77 -33.155 8.065 8.065 603 HA THR 77 HA THR 77 -35.673 9.120 9.120 604 HB THR 77 HB THR 77 -36.362 8.529 8.529 605 HG1 THR 77 HG1 THR 77 -35.144 9.973 9.973 606 1HG2 THR 77 1HG2 THR 77 -36.664 10.666 10.666 607 2HG2 THR 77 3HG2 THR 77 -36.509 11.300 11.300 608 3HG2 THR 77 2HG2 THR 77 -37.775 10.132 10.132 609 HA PRO 78 HA PRO 78 -36.226 4.653 4.653 610 1HB PRO 78 2HB PRO 78 -34.332 3.542 3.542 611 2HB PRO 78 1HB PRO 78 -35.731 4.443 4.443 612 1HG PRO 78 2HG PRO 78 -32.876 5.279 5.279 613 2HG PRO 78 1HG PRO 78 -34.153 5.822 5.822 614 1HD PRO 78 2HD PRO 78 -33.198 7.232 7.232 615 2HD PRO 78 1HD PRO 78 -34.658 7.600 7.600 616 H ARG 79 H ARG 79 -35.386 2.587 2.587 617 HA ARG 79 HA ARG 79 -32.898 2.926 2.926 618 1HB ARG 79 2HB ARG 79 -35.524 1.633 1.633 619 2HB ARG 79 1HB ARG 79 -34.074 0.933 0.933 620 1HG ARG 79 2HG ARG 79 -34.697 2.518 2.518 621 2HG ARG 79 1HG ARG 79 -33.519 3.412 3.412 622 1HD ARG 79 2HD ARG 79 -35.771 3.956 3.956 623 2HD ARG 79 1HD ARG 79 -36.456 3.779 3.779 624 HE ARG 79 HE ARG 79 -34.315 5.746 5.746 625 1HH1 ARG 79 2HH1 ARG 79 -35.545 4.447 4.447 626 2HH1 ARG 79 1HH1 ARG 79 -36.215 5.910 5.910 627 1HH2 ARG 79 1HH2 ARG 79 -35.771 7.716 7.716 628 2HH2 ARG 79 2HH2 ARG 79 -36.344 7.755 7.755 629 HA PRO 80 HA PRO 80 -31.465 1.507 1.507 630 1HB PRO 80 2HB PRO 80 -28.857 0.955 0.955 631 2HB PRO 80 1HB PRO 80 -29.932 -0.194 -0.194 632 1HG PRO 80 2HG PRO 80 -29.055 -0.125 -0.125 633 2HG PRO 80 1HG PRO 80 -29.510 -1.513 -1.513 634 1HD PRO 80 2HD PRO 80 -31.150 -0.314 -0.314 635 2HD PRO 80 1HD PRO 80 -31.711 -1.384 -1.384 636 H CYS 81 H CYS 81 -29.009 2.853 2.853 637 HA CYS 81 HA CYS 81 -29.586 5.406 5.406 638 1HB CYS 81 2HB CYS 81 -27.215 3.973 3.973 639 2HB CYS 81 1HB CYS 81 -26.824 5.031 5.031 640 HA PRO 82 HA PRO 82 -29.614 5.420 5.420 641 1HB PRO 82 2HB PRO 82 -28.754 7.953 7.953 642 2HB PRO 82 1HB PRO 82 -30.363 7.613 7.613 643 1HG PRO 82 2HG PRO 82 -27.939 8.692 8.692 644 2HG PRO 82 1HG PRO 82 -29.645 9.045 9.045 645 1HD PRO 82 2HD PRO 82 -28.087 7.318 7.318 646 2HD PRO 82 1HD PRO 82 -29.867 7.296 7.296 647 H TYR 83 H TYR 83 -28.004 4.138 4.138 648 HA TYR 83 HA TYR 83 -25.373 5.447 5.447 649 1HB TYR 83 2HB TYR 83 -25.757 2.876 2.876 650 2HB TYR 83 1HB TYR 83 -24.335 3.081 3.081 651 HD1 TYR 83 HD2 TYR 83 -26.272 4.707 4.707 652 HD2 TYR 83 HD1 TYR 83 -22.509 4.345 4.345 653 HE1 TYR 83 HE2 TYR 83 -25.193 6.109 6.109 654 HE2 TYR 83 HE1 TYR 83 -21.437 5.742 5.742 655 HH TYR 83 HH TYR 83 -22.600 6.268 6.268 656 H SER 84 H SER 84 -24.629 5.123 5.123 657 HA SER 84 HA SER 84 -25.878 2.956 2.956 658 1HB SER 84 2HB SER 84 -26.328 5.530 5.530 659 2HB SER 84 1HB SER 84 -24.703 5.459 5.459 660 HG SER 84 HG SER 84 -27.065 4.212 4.212 661 H SER 85 H SER 85 -24.399 1.538 1.538 662 HA SER 85 HA SER 85 -21.528 2.090 2.090 663 1HB SER 85 2HB SER 85 -22.685 -0.090 -0.090 664 2HB SER 85 1HB SER 85 -22.692 -0.513 -0.513 665 HG SER 85 HG SER 85 -20.388 -0.113 -0.113 666 H ARG 86 H ARG 86 -19.974 2.120 2.120 667 HA ARG 86 HA ARG 86 -20.608 1.524 1.524 668 1HB ARG 86 2HB ARG 86 -21.270 3.943 3.943 669 2HB ARG 86 1HB ARG 86 -19.579 4.272 4.272 670 1HG ARG 86 2HG ARG 86 -19.734 4.783 4.783 671 2HG ARG 86 1HG ARG 86 -19.075 3.148 3.148 672 1HD ARG 86 2HD ARG 86 -20.816 3.040 3.040 673 2HD ARG 86 1HD ARG 86 -21.543 2.368 2.368 674 HE ARG 86 HE ARG 86 -21.926 5.261 5.261 675 1HH1 ARG 86 1HH2 ARG 86 -23.274 3.444 3.444 676 2HH1 ARG 86 2HH2 ARG 86 -24.859 3.302 3.302 677 1HH2 ARG 86 2HH1 ARG 86 -23.909 4.482 4.482 678 2HH2 ARG 86 1HH1 ARG 86 -25.218 3.891 3.891 679 H THR 87 H THR 87 -18.840 0.490 0.490 680 HA THR 87 HA THR 87 -16.232 0.807 0.807 681 HB THR 87 HB THR 87 -16.886 -1.380 -1.380 682 HG1 THR 87 HG1 THR 87 -17.547 -2.578 -2.578 683 1HG2 THR 87 1HG2 THR 87 -14.544 -1.042 -1.042 684 2HG2 THR 87 3HG2 THR 87 -15.098 -1.280 -1.280 685 3HG2 THR 87 2HG2 THR 87 -15.210 -2.599 -2.599 686 H GLU 88 H GLU 88 -14.329 1.208 1.208 687 HA GLU 88 HA GLU 88 -14.132 1.316 1.316 688 1HB GLU 88 2HB GLU 88 -15.370 3.608 3.608 689 2HB GLU 88 1HB GLU 88 -13.835 4.088 4.088 690 1HG GLU 88 2HG GLU 88 -15.902 2.447 2.447 691 2HG GLU 88 1HG GLU 88 -15.844 4.210 4.210 692 H THR 89 H THR 89 -12.168 3.157 3.157 693 HA THR 89 HA THR 89 -9.839 1.990 1.990 694 HB THR 89 HB THR 89 -10.141 4.657 4.657 695 HG1 THR 89 HG1 THR 89 -10.698 3.114 3.114 696 1HG2 THR 89 1HG2 THR 89 -7.931 3.667 3.667 697 2HG2 THR 89 3HG2 THR 89 -7.598 3.256 3.256 698 3HG2 THR 89 2HG2 THR 89 -7.910 4.930 4.930 699 H ASN 90 H ASN 90 -8.721 2.528 2.528 700 HA ASN 90 HA ASN 90 -9.796 4.822 4.822 701 1HB ASN 90 2HB ASN 90 -9.853 2.483 2.483 702 2HB ASN 90 1HB ASN 90 -8.103 2.586 2.586 703 1HD2 ASN 90 2HD2 ASN 90 -9.394 5.701 5.701 704 2HD2 ASN 90 1HD2 ASN 90 -9.410 5.741 5.741 705 H TYR 91 H TYR 91 -8.569 6.470 6.470 706 HA TYR 91 HA TYR 91 -5.604 6.342 6.342 707 1HB TYR 91 2HB TYR 91 -5.941 8.917 8.917 708 2HB TYR 91 1HB TYR 91 -5.877 7.637 7.637 709 HD1 TYR 91 HD2 TYR 91 -7.895 6.874 6.874 710 HD2 TYR 91 HD1 TYR 91 -8.048 10.032 10.032 711 HE1 TYR 91 HE2 TYR 91 -10.157 7.491 7.491 712 HE2 TYR 91 HE1 TYR 91 -10.315 10.655 10.655 713 HH TYR 91 HH TYR 91 -12.276 9.224 9.224 714 H ILE 92 H ILE 92 -5.088 6.541 6.541 715 HA ILE 92 HA ILE 92 -6.795 8.338 8.338 716 HB ILE 92 HB ILE 92 -4.891 6.328 6.328 717 1HG1 ILE 92 2HG1 ILE 92 -7.660 5.362 5.362 718 2HG1 ILE 92 1HG1 ILE 92 -6.780 5.461 5.461 719 1HG2 ILE 92 1HG2 ILE 92 -7.515 7.582 7.582 720 2HG2 ILE 92 3HG2 ILE 92 -6.802 6.229 6.229 721 3HG2 ILE 92 2HG2 ILE 92 -5.944 7.766 7.766 722 1HD1 ILE 92 1HD1 ILE 92 -5.305 4.290 4.290 723 2HD1 ILE 92 3HD1 ILE 92 -6.628 3.327 3.327 724 3HD1 ILE 92 2HD1 ILE 92 -5.297 3.821 3.821 725 H CYS 93 H CYS 93 -5.855 9.457 9.457 726 HA CYS 93 HA CYS 93 -3.029 10.418 10.418 727 1HB CYS 93 2HB CYS 93 -4.668 12.256 12.256 728 2HB CYS 93 1HB CYS 93 -5.420 11.842 11.842 729 H VAL 94 H VAL 94 -1.916 9.095 9.095 730 HA VAL 94 HA VAL 94 -2.982 8.707 8.707 731 HB VAL 94 HB VAL 94 -2.028 6.473 6.473 732 1HG1 VAL 94 2HG1 VAL 94 -3.588 7.266 7.266 733 2HG1 VAL 94 1HG1 VAL 94 -3.179 5.591 5.591 734 3HG1 VAL 94 3HG1 VAL 94 -4.189 6.502 6.502 735 1HG2 VAL 94 3HG2 VAL 94 0.023 7.025 7.025 736 2HG2 VAL 94 2HG2 VAL 94 -0.820 5.646 5.646 737 3HG2 VAL 94 1HG2 VAL 94 -0.954 7.239 7.239 738 H LYS 95 H LYS 95 -0.935 7.601 7.601 739 HA LYS 95 HA LYS 95 1.503 9.183 9.183 740 1HB LYS 95 2HB LYS 95 -0.336 9.472 9.472 741 2HB LYS 95 1HB LYS 95 1.403 9.598 9.598 742 1HG LYS 95 2HG LYS 95 1.522 11.634 11.634 743 2HG LYS 95 1HG LYS 95 0.545 11.122 11.122 744 1HD LYS 95 2HD LYS 95 -0.877 12.681 12.681 745 2HD LYS 95 1HD LYS 95 -1.418 11.223 11.223 746 1HE LYS 95 2HE LYS 95 -1.079 12.526 12.526 747 2HE LYS 95 1HE LYS 95 0.576 11.951 11.951 748 1HZ LYS 95 1HZ LYS 95 0.970 13.945 13.945 749 2HZ LYS 95 3HZ LYS 95 -0.560 14.518 14.518 750 3HZ LYS 95 2HZ LYS 95 0.646 14.297 14.297 751 H CYS 96 H CYS 96 3.374 8.233 8.233 752 HA CYS 96 HA CYS 96 2.881 5.430 5.430 753 1HB CYS 96 2HB CYS 96 5.462 6.273 6.273 754 2HB CYS 96 1HB CYS 96 4.740 4.671 4.671 755 H GLU 97 H GLU 97 3.387 5.061 5.061 756 HA GLU 97 HA GLU 97 5.820 6.291 6.291 757 1HB GLU 97 2HB GLU 97 3.842 7.352 7.352 758 2HB GLU 97 1HB GLU 97 3.164 5.764 5.764 759 1HG GLU 97 2HG GLU 97 4.677 5.343 5.343 760 2HG GLU 97 1HG GLU 97 5.928 6.361 6.361 761 H ASN 98 H ASN 98 7.015 4.636 4.636 762 HA ASN 98 HA ASN 98 7.748 2.370 2.370 763 1HB ASN 98 2HB ASN 98 4.830 2.388 2.388 764 2HB ASN 98 1HB ASN 98 5.590 0.813 0.813 765 1HD2 ASN 98 2HD2 ASN 98 7.420 3.081 3.081 766 2HD2 ASN 98 1HD2 ASN 98 7.085 3.767 3.767 767 H GLN 99 H GLN 99 7.031 3.457 3.457 768 HA GLN 99 HA GLN 99 6.768 2.987 2.987 769 1HB GLN 99 2HB GLN 99 7.708 0.816 0.816 770 2HB GLN 99 1HB GLN 99 8.790 1.738 1.738 771 1HG GLN 99 2HG GLN 99 8.314 0.292 0.292 772 2HG GLN 99 1HG GLN 99 7.057 -0.547 -0.547 773 1HE2 GLN 99 2HE2 GLN 99 9.421 -2.355 -2.355 774 2HE2 GLN 99 1HE2 GLN 99 7.870 -1.668 -1.668 775 H TYR 100 H TYR 100 4.520 1.792 1.792 776 HA TYR 100 HA TYR 100 3.034 0.512 0.512 777 1HB TYR 100 2HB TYR 100 2.202 -1.045 -1.045 778 2HB TYR 100 1HB TYR 100 3.395 -0.497 -0.497 779 HD1 TYR 100 HD2 TYR 100 -0.086 0.391 0.391 780 HD2 TYR 100 HD1 TYR 100 2.631 0.173 0.173 781 HE1 TYR 100 HE2 TYR 100 -1.904 1.110 1.110 782 HE2 TYR 100 HE1 TYR 100 0.804 0.882 0.882 783 HH TYR 100 HH TYR 100 -2.107 2.196 2.196 784 HA PRO 101 HA PRO 101 0.722 4.264 4.264 785 1HB PRO 101 2HB PRO 101 -1.792 3.283 3.283 786 2HB PRO 101 1HB PRO 101 -0.511 3.542 3.542 787 1HG PRO 101 2HG PRO 101 -1.414 0.986 0.986 788 2HG PRO 101 1HG PRO 101 -0.813 1.255 1.255 789 1HD PRO 101 2HD PRO 101 0.751 0.160 0.160 790 2HD PRO 101 1HD PRO 101 1.420 1.135 1.135 791 H VAL 102 H VAL 102 0.954 4.697 4.697 792 HA VAL 102 HA VAL 102 -0.859 3.530 3.530 793 HB VAL 102 HB VAL 102 1.388 5.561 5.561 794 1HG1 VAL 102 3HG1 VAL 102 -0.298 6.145 6.145 795 2HG1 VAL 102 2HG1 VAL 102 -0.158 4.506 4.506 796 3HG1 VAL 102 1HG1 VAL 102 1.229 5.590 5.590 797 1HG2 VAL 102 1HG2 VAL 102 1.483 2.857 2.857 798 2HG2 VAL 102 3HG2 VAL 102 2.696 3.830 3.830 799 3HG2 VAL 102 2HG2 VAL 102 1.405 3.068 3.068 800 H HIS 103 H HIS 103 -0.932 6.249 6.249 801 HA HIS 103 HA HIS 103 -3.282 7.272 7.272 802 1HB HIS 103 2HB HIS 103 -1.827 9.570 9.570 803 2HB HIS 103 1HB HIS 103 -2.231 9.145 9.145 804 HD1 HIS 103 HD1 HIS 103 -0.166 9.090 9.090 805 HD2 HIS 103 HD2 HIS 103 0.623 7.706 7.706 806 HE1 HIS 103 HE1 HIS 103 2.272 8.357 8.357 807 H PHE 104 H PHE 104 -4.928 7.362 7.362 808 HA PHE 104 HA PHE 104 -4.257 7.877 7.877 809 1HB PHE 104 2HB PHE 104 -6.389 6.279 6.279 810 2HB PHE 104 1HB PHE 104 -6.949 7.302 7.302 811 HD1 PHE 104 HD2 PHE 104 -3.611 5.645 5.645 812 HD2 PHE 104 HD1 PHE 104 -7.299 5.797 5.797 813 HE1 PHE 104 HE2 PHE 104 -2.703 4.052 4.052 814 HE2 PHE 104 HE1 PHE 104 -6.388 4.174 4.174 815 HZ PHE 104 HZ PHE 104 -4.091 3.290 3.290 816 H ALA 105 H ALA 105 -4.588 9.970 9.970 817 HA ALA 105 HA ALA 105 -6.040 11.807 11.807 818 1HB ALA 105 2HB ALA 105 -3.762 12.299 12.299 819 2HB ALA 105 1HB ALA 105 -4.601 12.557 12.557 820 3HB ALA 105 3HB ALA 105 -4.965 13.581 13.581 821 H GLY 106 H GLY 106 -6.551 10.437 10.437 822 1HA GLY 106 2HA GLY 106 -9.318 11.229 11.229 823 2HA GLY 106 1HA GLY 106 -8.393 12.338 12.338 824 H ILE 107 H ILE 107 -9.949 11.362 11.362 825 HA ILE 107 HA ILE 107 -9.222 8.665 8.665 826 HB ILE 107 HB ILE 107 -11.314 10.586 10.586 827 1HG1 ILE 107 2HG1 ILE 107 -11.740 8.233 8.233 828 2HG1 ILE 107 1HG1 ILE 107 -11.561 9.886 9.886 829 1HG2 ILE 107 2HG2 ILE 107 -10.526 7.756 7.756 830 2HG2 ILE 107 1HG2 ILE 107 -12.241 8.165 8.165 831 3HG2 ILE 107 3HG2 ILE 107 -11.099 9.000 9.000 832 1HD1 ILE 107 1HD1 ILE 107 -13.427 10.209 10.209 833 2HD1 ILE 107 3HD1 ILE 107 -13.844 8.617 8.617 834 3HD1 ILE 107 2HD1 ILE 107 -13.814 10.011 10.011 835 H GLY 108 H GLY 108 -7.212 10.730 10.730 836 1HA GLY 108 2HA GLY 108 -5.561 10.988 10.988 837 2HA GLY 108 1HA GLY 108 -6.773 10.563 10.563 838 H ARG 109 H ARG 109 -6.827 13.059 13.059 839 HA ARG 109 HA ARG 109 -6.666 15.210 15.210 840 1HB ARG 109 2HB ARG 109 -9.156 14.441 14.441 841 2HB ARG 109 1HB ARG 109 -8.797 16.167 16.167 842 1HG ARG 109 2HG ARG 109 -9.933 15.918 15.918 843 2HG ARG 109 1HG ARG 109 -8.289 15.589 15.589 844 1HD ARG 109 2HD ARG 109 -8.938 13.546 13.546 845 2HD ARG 109 1HD ARG 109 -9.351 13.132 13.132 846 HE ARG 109 HE ARG 109 -11.559 14.532 14.532 847 1HH1 ARG 109 2HH1 ARG 109 -11.725 14.217 14.217 848 2HH1 ARG 109 1HH1 ARG 109 -12.172 12.573 12.573 849 1HH2 ARG 109 1HH2 ARG 109 -11.261 11.454 11.454 850 2HH2 ARG 109 2HH2 ARG 109 -11.906 11.009 11.009 851 H CYS 110 H CYS 110 -4.868 16.061 16.061 852 HA CYS 110 HA CYS 110 -5.186 17.554 17.554 853 1HB CYS 110 2HB CYS 110 -3.260 16.338 16.338 854 2HB CYS 110 1HB CYS 110 -4.770 15.433 15.433 855 HA PRO 111 HA PRO 111 -1.933 18.953 18.953 856 1HB PRO 111 2HB PRO 111 -3.215 21.226 21.226 857 2HB PRO 111 1HB PRO 111 -3.401 19.646 19.646 858 1HG PRO 111 2HG PRO 111 -5.311 21.104 21.104 859 2HG PRO 111 1HG PRO 111 -5.641 19.909 19.909 860 1HD PRO 111 1HD PRO 111 -5.641 19.423 19.423 861 2HD PRO 111 2HD PRO 111 -5.648 18.185 18.185 Start of MODEL 15 1 HN PCA 1 HN PCA 1 -3.852 2.856 2.856 2 HA PCA 1 HA PCA 1 -2.540 3.770 3.770 3 1HB PCA 1 1HB PCA 1 -3.713 3.785 3.785 4 2HB PCA 1 2HB PCA 1 -3.687 2.010 2.010 5 1HG PCA 1 1HG PCA 1 -5.890 3.747 3.747 6 2HG PCA 1 2HG PCA 1 -5.862 1.973 1.973 7 H ASN 2 H ASN 2 -3.883 0.474 0.474 8 HA ASN 2 HA ASN 2 -1.083 -0.584 -0.584 9 1HB ASN 2 2HB ASN 2 -2.243 -1.178 -1.178 10 2HB ASN 2 1HB ASN 2 -3.547 -1.911 -1.911 11 1HD2 ASN 2 2HD2 ASN 2 0.115 -3.813 -3.813 12 2HD2 ASN 2 1HD2 ASN 2 0.068 -2.123 -2.123 13 H TRP 3 H TRP 3 -0.936 -2.695 -2.695 14 HA TRP 3 HA TRP 3 -2.030 -2.360 -2.360 15 1HB TRP 3 2HB TRP 3 0.017 -3.915 -3.915 16 2HB TRP 3 1HB TRP 3 -1.065 -5.060 -5.060 17 HD1 TRP 3 HD1 TRP 3 1.944 -3.386 -3.386 18 HE1 TRP 3 HE1 TRP 3 2.442 -3.110 -3.110 19 HE3 TRP 3 HE3 TRP 3 -2.749 -4.116 -4.116 20 HZ2 TRP 3 HZ2 TRP 3 1.078 -3.206 -3.206 21 HZ3 TRP 3 HZ3 TRP 3 -3.089 -4.041 -4.041 22 HH2 TRP 3 HH2 TRP 3 -1.183 -3.593 -3.593 23 H ALA 4 H ALA 4 -3.135 -4.183 -4.183 24 HA ALA 4 HA ALA 4 -4.831 -6.063 -6.063 25 1HB ALA 4 1HB ALA 4 -4.462 -5.235 -5.235 26 2HB ALA 4 3HB ALA 4 -5.944 -6.089 -6.089 27 3HB ALA 4 2HB ALA 4 -4.376 -6.842 -6.842 28 H THR 5 H THR 5 -5.793 -3.358 -3.358 29 HA THR 5 HA THR 5 -8.513 -3.237 -3.237 30 HB THR 5 HB THR 5 -7.738 -0.590 -0.590 31 HG1 THR 5 HG1 THR 5 -6.142 -0.870 -0.870 32 1HG2 THR 5 3HG2 THR 5 -9.380 -2.822 -2.822 33 2HG2 THR 5 2HG2 THR 5 -8.820 -1.713 -1.713 34 3HG2 THR 5 1HG2 THR 5 -9.755 -1.102 -1.102 35 H PHE 6 H PHE 6 -5.532 -1.694 -1.694 36 HA PHE 6 HA PHE 6 -6.762 -0.021 -0.021 37 1HB PHE 6 2HB PHE 6 -4.494 0.416 0.416 38 2HB PHE 6 1HB PHE 6 -3.943 -1.020 -1.020 39 HD1 PHE 6 HD2 PHE 6 -4.172 -1.143 -1.143 40 HD2 PHE 6 HD1 PHE 6 -4.864 2.519 2.519 41 HE1 PHE 6 HE2 PHE 6 -4.007 0.127 0.127 42 HE2 PHE 6 HE1 PHE 6 -4.710 3.801 3.801 43 HZ PHE 6 HZ PHE 6 -4.288 2.588 2.588 44 H GLN 7 H GLN 7 -5.803 -3.363 -3.363 45 HA GLN 7 HA GLN 7 -5.561 -4.042 -4.042 46 1HB GLN 7 2HB GLN 7 -5.293 -5.670 -5.670 47 2HB GLN 7 1HB GLN 7 -7.054 -5.736 -5.736 48 1HG GLN 7 2HG GLN 7 -7.229 -6.976 -6.976 49 2HG GLN 7 1HG GLN 7 -5.902 -6.129 -6.129 50 1HE2 GLN 7 2HE2 GLN 7 -4.637 -8.955 -8.955 51 2HE2 GLN 7 1HE2 GLN 7 -5.803 -7.814 -7.814 52 H GLN 8 H GLN 8 -8.309 -3.251 -3.251 53 HA GLN 8 HA GLN 8 -10.326 -3.855 -3.855 54 1HB GLN 8 2HB GLN 8 -10.281 -2.927 -2.927 55 2HB GLN 8 1HB GLN 8 -11.457 -2.049 -2.049 56 1HG GLN 8 2HG GLN 8 -12.751 -3.856 -3.856 57 2HG GLN 8 1HG GLN 8 -12.013 -4.510 -4.510 58 1HE2 GLN 8 2HE2 GLN 8 -11.160 -6.168 -6.168 59 2HE2 GLN 8 1HE2 GLN 8 -12.255 -4.880 -4.880 60 H LYS 9 H LYS 9 -8.658 -0.987 -0.987 61 HA LYS 9 HA LYS 9 -9.903 1.120 1.120 62 1HB LYS 9 2HB LYS 9 -6.980 0.666 0.666 63 2HB LYS 9 1HB LYS 9 -7.522 2.135 2.135 64 1HG LYS 9 2HG LYS 9 -8.547 1.116 1.116 65 2HG LYS 9 1HG LYS 9 -7.375 2.418 2.418 66 1HD LYS 9 2HD LYS 9 -9.426 3.211 3.211 67 2HD LYS 9 1HD LYS 9 -10.304 2.456 2.456 68 1HE LYS 9 2HE LYS 9 -10.061 4.711 4.711 69 2HE LYS 9 1HE LYS 9 -8.792 3.859 3.859 70 1HZ LYS 9 1HZ LYS 9 -7.309 4.437 4.437 71 2HZ LYS 9 3HZ LYS 9 -8.527 5.501 5.501 72 3HZ LYS 9 2HZ LYS 9 -7.776 5.735 5.735 73 H HIS 10 H HIS 10 -7.246 -0.763 -0.763 74 HA HIS 10 HA HIS 10 -7.920 0.440 0.440 75 1HB HIS 10 2HB HIS 10 -5.505 -0.869 -0.869 76 2HB HIS 10 1HB HIS 10 -5.848 -1.243 -1.243 77 HD1 HIS 10 HD1 HIS 10 -3.422 0.510 0.510 78 HD2 HIS 10 HD2 HIS 10 -7.092 2.002 2.002 79 HE1 HIS 10 HE1 HIS 10 -2.965 2.812 2.812 80 H ILE 11 H ILE 11 -8.473 -2.549 -2.549 81 HA ILE 11 HA ILE 11 -9.378 -3.716 -3.716 82 HB ILE 11 HB ILE 11 -8.200 -5.398 -5.398 83 1HG1 ILE 11 2HG1 ILE 11 -6.440 -3.852 -3.852 84 2HG1 ILE 11 1HG1 ILE 11 -6.117 -5.456 -5.456 85 1HG2 ILE 11 3HG2 ILE 11 -9.706 -6.212 -6.212 86 2HG2 ILE 11 2HG2 ILE 11 -8.188 -6.077 -6.077 87 3HG2 ILE 11 1HG2 ILE 11 -8.299 -7.141 -7.141 88 1HD1 ILE 11 3HD1 ILE 11 -7.751 -4.085 -4.085 89 2HD1 ILE 11 2HD1 ILE 11 -6.446 -2.995 -2.995 90 3HD1 ILE 11 1HD1 ILE 11 -6.077 -4.587 -4.587 91 H ILE 12 H ILE 12 -11.499 -2.925 -2.925 92 HA ILE 12 HA ILE 12 -12.914 -4.601 -4.601 93 HB ILE 12 HB ILE 12 -13.958 -2.256 -2.256 94 1HG1 ILE 12 2HG1 ILE 12 -12.298 -1.471 -1.471 95 2HG1 ILE 12 1HG1 ILE 12 -13.906 -1.010 -1.010 96 1HG2 ILE 12 1HG2 ILE 12 -15.140 -3.885 -3.885 97 2HG2 ILE 12 3HG2 ILE 12 -15.823 -2.358 -2.358 98 3HG2 ILE 12 2HG2 ILE 12 -15.748 -3.742 -3.742 99 1HD1 ILE 12 3HD1 ILE 12 -13.955 -2.997 -2.997 100 2HD1 ILE 12 2HD1 ILE 12 -12.311 -3.394 -3.394 101 3HD1 ILE 12 1HD1 ILE 12 -12.624 -1.909 -1.909 102 H ASN 13 H ASN 13 -12.375 -6.411 -6.411 103 HA ASN 13 HA ASN 13 -13.500 -6.436 -6.436 104 1HB ASN 13 2HB ASN 13 -12.634 -8.804 -8.804 105 2HB ASN 13 1HB ASN 13 -11.416 -7.581 -7.581 106 1HD2 ASN 13 2HD2 ASN 13 -10.551 -9.329 -9.329 107 2HD2 ASN 13 1HD2 ASN 13 -10.038 -8.547 -8.547 108 H THR 14 H THR 14 -15.700 -5.967 -5.967 109 HA THR 14 HA THR 14 -17.252 -8.476 -8.476 110 HB THR 14 HB THR 14 -18.450 -7.996 -7.996 111 HG1 THR 14 HG1 THR 14 -17.635 -6.314 -6.314 112 1HG2 THR 14 1HG2 THR 14 -16.112 -9.211 -9.211 113 2HG2 THR 14 3HG2 THR 14 -15.560 -7.797 -7.797 114 3HG2 THR 14 2HG2 THR 14 -16.829 -8.826 -8.826 115 HA PRO 15 HA PRO 15 -19.059 -4.618 -4.618 116 1HB PRO 15 2HB PRO 15 -18.836 -5.380 -5.380 117 2HB PRO 15 1HB PRO 15 -17.578 -4.492 -4.492 118 1HG PRO 15 2HG PRO 15 -17.613 -7.336 -7.336 119 2HG PRO 15 1HG PRO 15 -16.232 -6.295 -6.295 120 1HD PRO 15 2HD PRO 15 -17.394 -8.286 -8.286 121 2HD PRO 15 1HD PRO 15 -16.118 -7.130 -7.130 122 H ILE 16 H ILE 16 -20.547 -6.783 -6.783 123 HA ILE 16 HA ILE 16 -22.315 -8.016 -8.016 124 HB ILE 16 HB ILE 16 -23.653 -8.618 -8.618 125 1HG1 ILE 16 2HG1 ILE 16 -21.529 -7.155 -7.155 126 2HG1 ILE 16 1HG1 ILE 16 -23.069 -6.405 -6.405 127 1HG2 ILE 16 2HG2 ILE 16 -21.066 -9.454 -9.454 128 2HG2 ILE 16 1HG2 ILE 16 -21.009 -9.228 -9.228 129 3HG2 ILE 16 3HG2 ILE 16 -22.205 -10.311 -10.311 130 1HD1 ILE 16 1HD1 ILE 16 -24.253 -8.298 -8.298 131 2HD1 ILE 16 3HD1 ILE 16 -22.692 -8.966 -8.966 132 3HD1 ILE 16 2HD1 ILE 16 -23.219 -7.413 -7.413 133 H ILE 17 H ILE 17 -24.882 -7.492 -7.492 134 HA ILE 17 HA ILE 17 -25.294 -4.703 -4.703 135 HB ILE 17 HB ILE 17 -27.654 -5.406 -5.406 136 1HG1 ILE 17 2HG1 ILE 17 -26.709 -8.147 -8.147 137 2HG1 ILE 17 1HG1 ILE 17 -27.581 -7.040 -7.040 138 1HG2 ILE 17 2HG2 ILE 17 -25.830 -5.850 -5.850 139 2HG2 ILE 17 1HG2 ILE 17 -25.790 -7.509 -7.509 140 3HG2 ILE 17 3HG2 ILE 17 -27.263 -6.871 -6.871 141 1HD1 ILE 17 1HD1 ILE 17 -29.115 -7.067 -7.067 142 2HD1 ILE 17 3HD1 ILE 17 -28.597 -8.743 -8.743 143 3HD1 ILE 17 2HD1 ILE 17 -29.472 -7.943 -7.943 144 H ASN 18 H ASN 18 -24.252 -4.900 -4.900 145 HA ASN 18 HA ASN 18 -26.333 -3.480 -3.480 146 1HB ASN 18 2HB ASN 18 -25.237 -6.174 -6.174 147 2HB ASN 18 1HB ASN 18 -25.908 -5.023 -5.023 148 1HD2 ASN 18 2HD2 ASN 18 -28.405 -7.178 -7.178 149 2HD2 ASN 18 1HD2 ASN 18 -26.720 -7.359 -7.359 150 H CYS 19 H CYS 19 -24.960 -1.690 -1.690 151 HA CYS 19 HA CYS 19 -22.120 -1.968 -1.968 152 1HB CYS 19 2HB CYS 19 -23.695 0.616 0.616 153 2HB CYS 19 1HB CYS 19 -21.978 0.398 0.398 154 H ASN 20 H ASN 20 -24.970 -1.958 -1.958 155 HA ASN 20 HA ASN 20 -23.953 -0.585 -0.585 156 1HB ASN 20 2HB ASN 20 -25.623 -2.073 -2.073 157 2HB ASN 20 1HB ASN 20 -26.302 -1.037 -1.037 158 1HD2 ASN 20 2HD2 ASN 20 -27.319 -3.750 -3.750 159 2HD2 ASN 20 1HD2 ASN 20 -27.129 -2.067 -2.067 160 H THR 21 H THR 21 -23.954 -4.046 -4.046 161 HA THR 21 HA THR 21 -22.324 -4.805 -4.805 162 HB THR 21 HB THR 21 -22.878 -6.387 -6.387 163 HG1 THR 21 HG1 THR 21 -24.824 -6.194 -6.194 164 1HG2 THR 21 1HG2 THR 21 -20.981 -7.178 -7.178 165 2HG2 THR 21 3HG2 THR 21 -22.092 -7.283 -7.283 166 3HG2 THR 21 2HG2 THR 21 -22.329 -8.315 -8.315 167 H ILE 22 H ILE 22 -21.655 -3.506 -3.506 168 HA ILE 22 HA ILE 22 -18.890 -4.501 -4.501 169 HB ILE 22 HB ILE 22 -20.178 -2.423 -2.423 170 1HG1 ILE 22 2HG1 ILE 22 -19.805 -5.369 -5.369 171 2HG1 ILE 22 1HG1 ILE 22 -21.296 -4.735 -4.735 172 1HG2 ILE 22 1HG2 ILE 22 -17.651 -4.072 -4.072 173 2HG2 ILE 22 3HG2 ILE 22 -18.343 -3.352 -3.352 174 3HG2 ILE 22 2HG2 ILE 22 -17.811 -2.324 -2.324 175 1HD1 ILE 22 1HD1 ILE 22 -20.171 -3.435 -3.435 176 2HD1 ILE 22 3HD1 ILE 22 -21.038 -4.962 -4.962 177 3HD1 ILE 22 2HD1 ILE 22 -21.848 -3.556 -3.556 178 H MET 23 H MET 23 -20.479 -1.945 -1.945 179 HA MET 23 HA MET 23 -17.877 -0.501 -0.501 180 1HB MET 23 2HB MET 23 -19.155 1.595 1.595 181 2HB MET 23 1HB MET 23 -19.414 0.908 0.908 182 1HG MET 23 2HG MET 23 -21.626 0.910 0.910 183 2HG MET 23 1HG MET 23 -21.378 -0.235 -0.235 184 1HE MET 23 1HE MET 23 -23.711 1.471 1.471 185 2HE MET 23 3HE MET 23 -23.725 3.011 3.011 186 3HE MET 23 2HE MET 23 -23.064 2.922 2.922 187 H ASP 24 H ASP 24 -19.909 -2.506 -2.506 188 HA ASP 24 HA ASP 24 -20.477 -1.272 -1.272 189 1HB ASP 24 2HB ASP 24 -19.943 -4.126 -4.126 190 2HB ASP 24 1HB ASP 24 -20.244 -3.729 -3.729 191 H ASN 25 H ASN 25 -18.694 0.018 0.018 192 HA ASN 25 HA ASN 25 -16.614 -1.227 -1.227 193 1HB ASN 25 2HB ASN 25 -15.805 -1.583 -1.583 194 2HB ASN 25 1HB ASN 25 -15.692 0.154 0.154 195 1HD2 ASN 25 2HD2 ASN 25 -12.322 -0.473 -0.473 196 2HD2 ASN 25 1HD2 ASN 25 -13.306 -0.227 -0.227 197 H ASN 26 H ASN 26 -15.428 0.378 0.378 198 HA ASN 26 HA ASN 26 -16.841 2.883 2.883 199 1HB ASN 26 2HB ASN 26 -14.075 2.095 2.095 200 2HB ASN 26 1HB ASN 26 -15.106 3.359 3.359 201 1HD2 ASN 26 2HD2 ASN 26 -15.511 -0.280 -0.280 202 2HD2 ASN 26 1HD2 ASN 26 -14.125 0.310 0.310 203 H ILE 27 H ILE 27 -14.527 1.948 1.948 204 HA ILE 27 HA ILE 27 -13.321 4.631 4.631 205 HB ILE 27 HB ILE 27 -12.982 2.200 2.200 206 1HG1 ILE 27 2HG1 ILE 27 -11.238 3.139 3.139 207 2HG1 ILE 27 1HG1 ILE 27 -12.384 1.803 1.803 208 1HG2 ILE 27 1HG2 ILE 27 -11.670 4.887 4.887 209 2HG2 ILE 27 3HG2 ILE 27 -10.689 3.504 3.504 210 3HG2 ILE 27 2HG2 ILE 27 -12.089 3.973 3.973 211 1HD1 ILE 27 1HD1 ILE 27 -11.039 1.073 1.073 212 2HD1 ILE 27 3HD1 ILE 27 -9.760 1.932 1.932 213 3HD1 ILE 27 2HD1 ILE 27 -10.567 0.561 0.561 214 H TYR 28 H TYR 28 -16.310 3.715 3.715 215 HA TYR 28 HA TYR 28 -16.416 5.380 5.380 216 1HB TYR 28 2HB TYR 28 -17.452 2.560 2.560 217 2HB TYR 28 1HB TYR 28 -18.192 3.673 3.673 218 HD1 TYR 28 HD2 TYR 28 -16.366 5.072 5.072 219 HD2 TYR 28 HD1 TYR 28 -15.762 1.198 1.198 220 HE1 TYR 28 HE2 TYR 28 -14.552 4.619 4.619 221 HE2 TYR 28 HE1 TYR 28 -13.947 0.749 0.749 222 HH TYR 28 HH TYR 28 -12.490 3.129 3.129 223 H ILE 29 H ILE 29 -17.181 6.560 6.560 224 HA ILE 29 HA ILE 29 -20.147 6.741 6.741 225 HB ILE 29 HB ILE 29 -18.812 6.291 6.291 226 1HG1 ILE 29 2HG1 ILE 29 -18.866 4.215 4.215 227 2HG1 ILE 29 1HG1 ILE 29 -19.875 4.103 4.103 228 1HG2 ILE 29 1HG2 ILE 29 -21.540 7.077 7.077 229 2HG2 ILE 29 3HG2 ILE 29 -21.460 5.876 5.876 230 3HG2 ILE 29 2HG2 ILE 29 -20.691 7.448 7.448 231 1HD1 ILE 29 2HD1 ILE 29 -21.165 5.087 5.087 232 2HD1 ILE 29 1HD1 ILE 29 -20.785 3.370 3.370 233 3HD1 ILE 29 3HD1 ILE 29 -21.843 4.117 4.117 234 H VAL 30 H VAL 30 -20.996 8.677 8.677 235 HA VAL 30 HA VAL 30 -18.972 10.853 10.853 236 HB VAL 30 HB VAL 30 -21.808 11.034 11.034 237 1HG1 VAL 30 1HG1 VAL 30 -19.652 13.093 13.093 238 2HG1 VAL 30 3HG1 VAL 30 -20.977 13.374 13.374 239 3HG1 VAL 30 2HG1 VAL 30 -21.320 13.096 13.096 240 1HG2 VAL 30 3HG2 VAL 30 -19.062 11.015 11.015 241 2HG2 VAL 30 2HG2 VAL 30 -20.482 10.071 10.071 242 3HG2 VAL 30 1HG2 VAL 30 -20.422 11.799 11.799 243 H GLY 31 H GLY 31 -19.955 12.624 12.624 244 1HA GLY 31 2HA GLY 31 -21.179 11.254 11.254 245 2HA GLY 31 1HA GLY 31 -20.480 12.876 12.876 246 H GLY 32 H GLY 32 -23.030 11.258 11.258 247 1HA GLY 32 2HA GLY 32 -25.138 12.973 12.973 248 2HA GLY 32 1HA GLY 32 -24.678 13.375 13.375 249 H GLN 33 H GLN 33 -24.256 11.029 11.029 250 HA GLN 33 HA GLN 33 -26.266 8.990 8.990 251 1HB GLN 33 2HB GLN 33 -26.777 11.077 11.077 252 2HB GLN 33 1HB GLN 33 -27.367 9.433 9.433 253 1HG GLN 33 2HG GLN 33 -28.200 9.805 9.805 254 2HG GLN 33 1HG GLN 33 -28.220 11.483 11.483 255 1HE2 GLN 33 2HE2 GLN 33 -31.183 9.051 9.051 256 2HE2 GLN 33 1HE2 GLN 33 -30.082 8.657 8.657 257 H CYS 34 H CYS 34 -25.103 10.169 10.169 258 HA CYS 34 HA CYS 34 -23.317 7.782 7.782 259 1HB CYS 34 2HB CYS 34 -24.942 8.771 8.771 260 2HB CYS 34 1HB CYS 34 -24.135 7.219 7.219 261 H LYS 35 H LYS 35 -22.119 8.149 8.149 262 HA LYS 35 HA LYS 35 -20.937 10.888 10.888 263 1HB LYS 35 2HB LYS 35 -19.685 8.389 8.389 264 2HB LYS 35 1HB LYS 35 -19.443 8.949 8.949 265 1HG LYS 35 2HG LYS 35 -18.917 11.237 11.237 266 2HG LYS 35 1HG LYS 35 -18.316 9.995 9.995 267 1HD LYS 35 2HD LYS 35 -16.752 9.194 9.194 268 2HD LYS 35 1HD LYS 35 -17.601 9.927 9.927 269 1HE LYS 35 2HE LYS 35 -16.886 12.120 12.120 270 2HE LYS 35 1HE LYS 35 -16.348 11.587 11.587 271 1HZ LYS 35 3HZ LYS 35 -14.672 10.201 10.201 272 2HZ LYS 35 2HZ LYS 35 -15.156 10.833 10.833 273 3HZ LYS 35 1HZ LYS 35 -14.465 11.851 11.851 274 H ARG 36 H ARG 36 -20.031 11.607 11.607 275 HA ARG 36 HA ARG 36 -22.282 11.615 11.615 276 1HB ARG 36 2HB ARG 36 -20.861 13.181 13.181 277 2HB ARG 36 1HB ARG 36 -20.993 13.667 13.667 278 1HG ARG 36 2HG ARG 36 -18.807 12.890 12.890 279 2HG ARG 36 1HG ARG 36 -18.702 11.960 11.960 280 1HD ARG 36 2HD ARG 36 -19.160 14.476 14.476 281 2HD ARG 36 1HD ARG 36 -18.212 14.836 14.836 282 HE ARG 36 HE ARG 36 -16.656 12.941 12.941 283 1HH1 ARG 36 2HH1 ARG 36 -18.677 14.014 14.014 284 2HH1 ARG 36 1HH1 ARG 36 -17.487 14.814 14.814 285 1HH2 ARG 36 1HH2 ARG 36 -14.995 14.598 14.598 286 2HH2 ARG 36 2HH2 ARG 36 -15.402 15.145 15.145 287 H VAL 37 H VAL 37 -19.394 9.722 9.722 288 HA VAL 37 HA VAL 37 -20.094 8.183 8.183 289 HB VAL 37 HB VAL 37 -18.836 10.130 10.130 290 1HG1 VAL 37 1HG1 VAL 37 -17.238 10.204 10.204 291 2HG1 VAL 37 3HG1 VAL 37 -16.330 8.972 8.972 292 3HG1 VAL 37 2HG1 VAL 37 -16.585 10.559 10.559 293 1HG2 VAL 37 3HG2 VAL 37 -18.877 7.805 7.805 294 2HG2 VAL 37 2HG2 VAL 37 -17.481 8.781 8.781 295 3HG2 VAL 37 1HG2 VAL 37 -17.312 7.524 7.524 296 H ASN 38 H ASN 38 -19.937 6.204 6.204 297 HA ASN 38 HA ASN 38 -17.701 5.450 5.450 298 1HB ASN 38 2HB ASN 38 -20.045 3.686 3.686 299 2HB ASN 38 1HB ASN 38 -18.978 3.497 3.497 300 1HD2 ASN 38 2HD2 ASN 38 -22.265 5.111 5.111 301 2HD2 ASN 38 1HD2 ASN 38 -21.913 3.717 3.717 302 H THR 39 H THR 39 -16.126 5.535 5.535 303 HA THR 39 HA THR 39 -16.463 3.997 3.997 304 HB THR 39 HB THR 39 -13.887 5.223 5.223 305 HG1 THR 39 HG1 THR 39 -14.604 7.151 7.151 306 1HG2 THR 39 2HG2 THR 39 -14.980 4.175 4.175 307 2HG2 THR 39 1HG2 THR 39 -14.106 5.703 5.703 308 3HG2 THR 39 3HG2 THR 39 -13.306 4.285 4.285 309 H PHE 40 H PHE 40 -16.016 1.956 1.956 310 HA PHE 40 HA PHE 40 -14.241 0.468 0.468 311 1HB PHE 40 2HB PHE 40 -16.151 -0.543 -0.543 312 2HB PHE 40 1HB PHE 40 -15.302 -1.537 -1.537 313 HD1 PHE 40 HD2 PHE 40 -15.602 0.040 0.040 314 HD2 PHE 40 HD1 PHE 40 -18.422 -0.791 -0.791 315 HE1 PHE 40 HE2 PHE 40 -17.472 0.307 0.307 316 HE2 PHE 40 HE1 PHE 40 -20.289 -0.524 -0.524 317 HZ PHE 40 HZ PHE 40 -19.815 0.024 0.024 318 H ILE 41 H ILE 41 -12.610 -1.073 -1.073 319 HA ILE 41 HA ILE 41 -11.921 -0.076 -0.076 320 HB ILE 41 HB ILE 41 -10.039 -0.480 -0.480 321 1HG1 ILE 41 2HG1 ILE 41 -9.517 1.975 1.975 322 2HG1 ILE 41 1HG1 ILE 41 -11.186 1.845 1.845 323 1HG2 ILE 41 3HG2 ILE 41 -9.532 -0.183 -0.183 324 2HG2 ILE 41 2HG2 ILE 41 -8.368 0.450 0.450 325 3HG2 ILE 41 1HG2 ILE 41 -8.753 -1.272 -1.272 326 1HD1 ILE 41 1HD1 ILE 41 -10.719 0.952 0.952 327 2HD1 ILE 41 3HD1 ILE 41 -10.487 2.677 2.677 328 3HD1 ILE 41 2HD1 ILE 41 -12.033 1.920 1.920 329 H ILE 42 H ILE 42 -11.836 -1.687 -1.687 330 HA ILE 42 HA ILE 42 -11.554 -4.515 -4.515 331 HB ILE 42 HB ILE 42 -12.128 -3.788 -3.788 332 1HG1 ILE 42 2HG1 ILE 42 -14.263 -3.945 -3.945 333 2HG1 ILE 42 1HG1 ILE 42 -13.699 -2.434 -2.434 334 1HG2 ILE 42 3HG2 ILE 42 -12.477 -6.094 -6.094 335 2HG2 ILE 42 2HG2 ILE 42 -13.693 -5.883 -5.883 336 3HG2 ILE 42 1HG2 ILE 42 -11.996 -6.071 -6.071 337 1HD1 ILE 42 3HD1 ILE 42 -14.730 -4.719 -4.719 338 2HD1 ILE 42 2HD1 ILE 42 -15.803 -3.476 -3.476 339 3HD1 ILE 42 1HD1 ILE 42 -14.505 -3.034 -3.034 340 H SER 43 H SER 43 -9.423 -5.050 -5.050 341 HA SER 43 HA SER 43 -7.783 -5.387 -5.387 342 1HB SER 43 2HB SER 43 -7.641 -2.944 -2.944 343 2HB SER 43 1HB SER 43 -7.205 -2.858 -2.858 344 HG SER 43 HG SER 43 -5.224 -3.165 -3.165 345 H SER 44 H SER 44 -5.474 -5.975 -5.975 346 HA SER 44 HA SER 44 -5.521 -7.386 -7.386 347 1HB SER 44 2HB SER 44 -3.077 -7.963 -7.963 348 2HB SER 44 1HB SER 44 -4.480 -8.732 -8.732 349 HG SER 44 HG SER 44 -3.487 -7.956 -7.956 350 H ALA 45 H ALA 45 -4.734 -6.541 -6.541 351 HA ALA 45 HA ALA 45 -3.956 -3.902 -3.902 352 1HB ALA 45 1HB ALA 45 -3.650 -6.402 -6.402 353 2HB ALA 45 3HB ALA 45 -2.664 -5.028 -5.028 354 3HB ALA 45 2HB ALA 45 -4.418 -4.877 -4.877 355 H THR 46 H THR 46 -1.851 -6.592 -6.592 356 HA THR 46 HA THR 46 0.598 -5.136 -5.136 357 HB THR 46 HB THR 46 0.522 -7.569 -7.569 358 HG1 THR 46 HG1 THR 46 2.484 -6.516 -6.516 359 1HG2 THR 46 1HG2 THR 46 -0.824 -7.337 -7.337 360 2HG2 THR 46 3HG2 THR 46 0.720 -8.100 -8.100 361 3HG2 THR 46 2HG2 THR 46 -0.358 -8.828 -8.828 362 H THR 47 H THR 47 -1.375 -5.532 -5.532 363 HA THR 47 HA THR 47 0.585 -4.494 -4.494 364 HB THR 47 HB THR 47 -2.403 -4.139 -4.139 365 HG1 THR 47 HG1 THR 47 -0.811 -6.420 -6.420 366 1HG2 THR 47 3HG2 THR 47 -0.311 -3.369 -3.369 367 2HG2 THR 47 2HG2 THR 47 -0.621 -4.990 -4.990 368 3HG2 THR 47 1HG2 THR 47 -1.909 -3.786 -3.786 369 H VAL 48 H VAL 48 -1.759 -3.046 -3.046 370 HA VAL 48 HA VAL 48 -1.398 -0.311 -0.311 371 HB VAL 48 HB VAL 48 -2.271 -1.237 -1.237 372 1HG1 VAL 48 2HG1 VAL 48 -2.311 1.317 1.317 373 2HG1 VAL 48 1HG1 VAL 48 -3.707 0.966 0.966 374 3HG1 VAL 48 3HG1 VAL 48 -2.096 1.049 1.049 375 1HG2 VAL 48 3HG2 VAL 48 -3.625 -1.392 -1.392 376 2HG2 VAL 48 2HG2 VAL 48 -3.940 -2.294 -2.294 377 3HG2 VAL 48 1HG2 VAL 48 -4.583 -0.664 -0.664 378 H LYS 49 H LYS 49 0.075 -2.458 -2.458 379 HA LYS 49 HA LYS 49 1.734 -0.576 -0.576 380 1HB LYS 49 2HB LYS 49 1.147 -2.988 -2.988 381 2HB LYS 49 1HB LYS 49 2.410 -3.488 -3.488 382 1HG LYS 49 2HG LYS 49 3.760 -1.590 -1.590 383 2HG LYS 49 1HG LYS 49 2.644 -2.121 -2.121 384 1HD LYS 49 2HD LYS 49 3.335 -4.488 -4.488 385 2HD LYS 49 1HD LYS 49 4.549 -3.870 -3.870 386 1HE LYS 49 2HE LYS 49 4.374 -3.331 -3.331 387 2HE LYS 49 1HE LYS 49 5.629 -4.238 -4.238 388 1HZ LYS 49 1HZ LYS 49 5.841 -2.005 -2.005 389 2HZ LYS 49 3HZ LYS 49 5.163 -1.348 -1.348 390 3HZ LYS 49 2HZ LYS 49 6.620 -2.216 -2.216 391 H ALA 50 H ALA 50 1.982 -2.067 -2.067 392 HA ALA 50 HA ALA 50 4.870 -1.657 -1.657 393 1HB ALA 50 1HB ALA 50 2.773 -2.970 -2.970 394 2HB ALA 50 3HB ALA 50 3.861 -2.031 -2.031 395 3HB ALA 50 2HB ALA 50 4.506 -3.282 -3.282 396 H ILE 51 H ILE 51 1.907 0.008 0.008 397 HA ILE 51 HA ILE 51 3.303 1.966 1.966 398 HB ILE 51 HB ILE 51 0.920 1.472 1.472 399 1HG1 ILE 51 2HG1 ILE 51 0.063 3.831 3.831 400 2HG1 ILE 51 1HG1 ILE 51 1.490 4.316 4.316 401 1HG2 ILE 51 3HG2 ILE 51 0.822 2.255 2.255 402 2HG2 ILE 51 2HG2 ILE 51 -0.536 2.762 2.762 403 3HG2 ILE 51 1HG2 ILE 51 -0.125 1.052 1.052 404 1HD1 ILE 51 3HD1 ILE 51 1.773 2.788 2.788 405 2HD1 ILE 51 2HD1 ILE 51 1.546 4.537 4.537 406 3HD1 ILE 51 1HD1 ILE 51 2.946 3.836 3.836 407 H CYS 52 H CYS 52 2.899 1.640 1.640 408 HA CYS 52 HA CYS 52 3.463 4.513 4.513 409 1HB CYS 52 2HB CYS 52 1.803 2.847 2.847 410 2HB CYS 52 1HB CYS 52 3.268 2.594 2.594 411 H THR 53 H THR 53 5.428 2.210 2.210 412 HA THR 53 HA THR 53 7.397 1.920 1.920 413 HB THR 53 HB THR 53 7.922 1.881 1.881 414 HG1 THR 53 HG1 THR 53 7.264 -0.224 -0.224 415 1HG2 THR 53 3HG2 THR 53 9.724 1.737 1.737 416 2HG2 THR 53 2HG2 THR 53 9.194 0.054 0.054 417 3HG2 THR 53 1HG2 THR 53 9.862 0.747 0.747 418 H GLY 54 H GLY 54 8.264 3.755 3.755 419 1HA GLY 54 2HA GLY 54 9.765 5.599 5.599 420 2HA GLY 54 1HA GLY 54 8.462 6.332 6.332 421 H VAL 55 H VAL 55 8.592 5.551 5.551 422 HA VAL 55 HA VAL 55 11.240 5.054 5.054 423 HB VAL 55 HB VAL 55 11.227 7.478 7.478 424 1HG1 VAL 55 1HG1 VAL 55 8.953 7.863 7.863 425 2HG1 VAL 55 3HG1 VAL 55 10.043 8.277 8.277 426 3HG1 VAL 55 2HG1 VAL 55 10.123 9.168 9.168 427 1HG2 VAL 55 1HG2 VAL 55 12.633 6.255 6.255 428 2HG2 VAL 55 3HG2 VAL 55 12.998 7.848 7.848 429 3HG2 VAL 55 2HG2 VAL 55 12.030 7.706 7.706 430 H ILE 56 H ILE 56 11.006 5.982 5.982 431 HA ILE 56 HA ILE 56 8.702 4.432 4.432 432 HB ILE 56 HB ILE 56 11.015 4.108 4.108 433 1HG1 ILE 56 2HG1 ILE 56 9.292 5.202 5.202 434 2HG1 ILE 56 1HG1 ILE 56 8.802 3.763 3.763 435 1HG2 ILE 56 1HG2 ILE 56 10.606 6.956 6.956 436 2HG2 ILE 56 3HG2 ILE 56 11.795 5.873 5.873 437 3HG2 ILE 56 2HG2 ILE 56 11.926 6.317 6.317 438 1HD1 ILE 56 1HD1 ILE 56 11.218 2.921 2.921 439 2HD1 ILE 56 3HD1 ILE 56 11.222 4.167 4.167 440 3HD1 ILE 56 2HD1 ILE 56 10.027 2.871 2.871 441 H ASN 57 H ASN 57 8.172 7.065 7.065 442 HA ASN 57 HA ASN 57 6.165 8.178 8.178 443 1HB ASN 57 2HB ASN 57 8.378 8.786 8.786 444 2HB ASN 57 1HB ASN 57 8.541 10.020 10.020 445 1HD2 ASN 57 2HD2 ASN 57 5.919 12.023 12.023 446 2HD2 ASN 57 1HD2 ASN 57 7.045 11.792 11.792 447 H MET 58 H MET 58 4.995 8.944 8.944 448 HA MET 58 HA MET 58 6.174 11.038 11.038 449 1HB MET 58 2HB MET 58 6.747 8.491 8.491 450 2HB MET 58 1HB MET 58 5.245 8.775 8.775 451 1HG MET 58 2HG MET 58 6.175 10.375 10.375 452 2HG MET 58 1HG MET 58 7.210 10.995 10.995 453 1HE MET 58 3HE MET 58 8.662 11.362 11.362 454 2HE MET 58 2HE MET 58 9.818 10.199 10.199 455 3HE MET 58 1HE MET 58 8.187 10.266 10.266 456 H ASN 59 H ASN 59 4.676 11.385 11.385 457 HA ASN 59 HA ASN 59 1.779 10.998 10.998 458 1HB ASN 59 2HB ASN 59 2.687 13.301 13.301 459 2HB ASN 59 1HB ASN 59 2.927 13.640 13.640 460 1HD2 ASN 59 2HD2 ASN 59 -0.631 14.430 14.430 461 2HD2 ASN 59 1HD2 ASN 59 0.843 14.489 14.489 462 H VAL 60 H VAL 60 1.228 9.750 9.750 463 HA VAL 60 HA VAL 60 2.100 10.737 10.737 464 HB VAL 60 HB VAL 60 1.840 7.790 7.790 465 1HG1 VAL 60 2HG1 VAL 60 2.933 9.507 9.507 466 2HG1 VAL 60 1HG1 VAL 60 3.725 7.963 7.963 467 3HG1 VAL 60 3HG1 VAL 60 2.012 8.007 8.007 468 1HG2 VAL 60 2HG2 VAL 60 3.509 8.705 8.705 469 2HG2 VAL 60 1HG2 VAL 60 4.285 7.712 7.712 470 3HG2 VAL 60 3HG2 VAL 60 4.360 9.472 9.472 471 H LEU 61 H LEU 61 0.717 9.638 9.638 472 HA LEU 61 HA LEU 61 -2.097 9.319 9.319 473 1HB LEU 61 2HB LEU 61 -1.259 10.578 10.578 474 2HB LEU 61 1HB LEU 61 -2.879 10.534 10.534 475 HG LEU 61 HG LEU 61 -1.714 11.766 11.766 476 1HD1 LEU 61 1HD1 LEU 61 0.274 11.874 11.874 477 2HD1 LEU 61 3HD1 LEU 61 -0.032 13.400 13.400 478 3HD1 LEU 61 2HD1 LEU 61 0.514 11.995 11.995 479 1HD2 LEU 61 2HD2 LEU 61 -3.491 12.615 12.615 480 2HD2 LEU 61 1HD2 LEU 61 -2.450 13.854 13.854 481 3HD2 LEU 61 3HD2 LEU 61 -2.169 13.294 13.294 482 H SER 62 H SER 62 -2.943 7.389 7.389 483 HA SER 62 HA SER 62 -1.626 5.356 5.356 484 1HB SER 62 2HB SER 62 -4.581 5.265 5.265 485 2HB SER 62 1HB SER 62 -3.444 4.060 4.060 486 HG SER 62 HG SER 62 -3.516 4.931 4.931 487 H THR 63 H THR 63 -0.865 6.234 6.234 488 HA THR 63 HA THR 63 -2.653 7.561 7.561 489 HB THR 63 HB THR 63 -0.635 7.021 7.021 490 HG1 THR 63 HG1 THR 63 1.120 6.273 6.273 491 1HG2 THR 63 2HG2 THR 63 -1.106 9.048 9.048 492 2HG2 THR 63 1HG2 THR 63 0.627 8.764 8.764 493 3HG2 THR 63 3HG2 THR 63 -0.337 9.207 9.207 494 H THR 64 H THR 64 -1.220 4.326 4.326 495 HA THR 64 HA THR 64 -2.394 3.223 3.223 496 HB THR 64 HB THR 64 -1.780 1.632 1.632 497 HG1 THR 64 HG1 THR 64 0.053 2.743 2.743 498 1HG2 THR 64 1HG2 THR 64 -2.788 0.620 0.620 499 2HG2 THR 64 3HG2 THR 64 -1.253 0.989 0.989 500 3HG2 THR 64 2HG2 THR 64 -1.299 -0.123 -0.123 501 H ARG 65 H ARG 65 -4.507 2.787 2.787 502 HA ARG 65 HA ARG 65 -6.601 3.354 3.354 503 1HB ARG 65 2HB ARG 65 -6.779 1.230 1.230 504 2HB ARG 65 1HB ARG 65 -8.076 2.240 2.240 505 1HG ARG 65 2HG ARG 65 -7.647 3.585 3.585 506 2HG ARG 65 1HG ARG 65 -6.237 4.116 4.116 507 1HD ARG 65 2HD ARG 65 -4.822 3.112 3.112 508 2HD ARG 65 1HD ARG 65 -5.734 1.604 1.604 509 HE ARG 65 HE ARG 65 -7.304 2.792 2.792 510 1HH1 ARG 65 2HH1 ARG 65 -6.732 5.099 5.099 511 2HH1 ARG 65 1HH1 ARG 65 -5.298 5.007 5.007 512 1HH2 ARG 65 1HH2 ARG 65 -4.258 1.988 1.988 513 2HH2 ARG 65 2HH2 ARG 65 -3.895 3.241 3.241 514 H PHE 66 H PHE 66 -6.669 2.409 2.409 515 HA PHE 66 HA PHE 66 -6.178 -0.544 -0.544 516 1HB PHE 66 2HB PHE 66 -6.400 1.690 1.690 517 2HB PHE 66 1HB PHE 66 -6.474 -0.003 -0.003 518 HD1 PHE 66 HD2 PHE 66 -4.521 -1.554 -1.554 519 HD2 PHE 66 HD1 PHE 66 -4.293 2.730 2.730 520 HE1 PHE 66 HE2 PHE 66 -2.061 -1.691 -1.691 521 HE2 PHE 66 HE1 PHE 66 -1.826 2.573 2.573 522 HZ PHE 66 HZ PHE 66 -0.712 0.366 0.366 523 H GLN 67 H GLN 67 -8.504 0.181 0.181 524 HA GLN 67 HA GLN 67 -10.892 0.215 0.215 525 1HB GLN 67 2HB GLN 67 -10.002 -2.490 -2.490 526 2HB GLN 67 1HB GLN 67 -11.595 -2.147 -2.147 527 1HG GLN 67 2HG GLN 67 -9.878 -1.063 -1.063 528 2HG GLN 67 1HG GLN 67 -9.022 -2.516 -2.516 529 1HE2 GLN 67 2HE2 GLN 67 -11.956 -2.994 -2.994 530 2HE2 GLN 67 1HE2 GLN 67 -11.055 -1.574 -1.574 531 H LEU 68 H LEU 68 -12.076 1.485 1.485 532 HA LEU 68 HA LEU 68 -12.303 0.472 0.472 533 1HB LEU 68 2HB LEU 68 -13.366 2.757 2.757 534 2HB LEU 68 1HB LEU 68 -11.646 2.714 2.714 535 HG LEU 68 HG LEU 68 -11.932 3.641 3.641 536 1HD1 LEU 68 1HD1 LEU 68 -14.864 2.981 2.981 537 2HD1 LEU 68 3HD1 LEU 68 -14.302 4.129 4.129 538 3HD1 LEU 68 2HD1 LEU 68 -13.788 2.445 2.445 539 1HD2 LEU 68 1HD2 LEU 68 -12.402 5.105 5.105 540 2HD2 LEU 68 3HD2 LEU 68 -12.897 5.747 5.747 541 3HD2 LEU 68 2HD2 LEU 68 -14.091 5.026 5.026 542 H ASN 69 H ASN 69 -14.315 0.430 0.430 543 HA ASN 69 HA ASN 69 -16.755 0.181 0.181 544 1HB ASN 69 2HB ASN 69 -15.745 -1.975 -1.975 545 2HB ASN 69 1HB ASN 69 -16.504 -1.282 -1.282 546 1HD2 ASN 69 2HD2 ASN 69 -19.844 -1.741 -1.741 547 2HD2 ASN 69 1HD2 ASN 69 -18.906 -0.735 -0.735 548 H THR 70 H THR 70 -17.581 2.296 2.296 549 HA THR 70 HA THR 70 -17.508 3.132 3.132 550 HB THR 70 HB THR 70 -18.216 4.883 4.883 551 HG1 THR 70 HG1 THR 70 -16.229 4.636 4.636 552 1HG2 THR 70 3HG2 THR 70 -18.650 5.598 5.598 553 2HG2 THR 70 2HG2 THR 70 -16.905 5.535 5.535 554 3HG2 THR 70 1HG2 THR 70 -17.588 6.663 6.663 555 H CYS 71 H CYS 71 -19.195 3.278 3.278 556 HA CYS 71 HA CYS 71 -21.964 3.233 3.233 557 1HB CYS 71 2HB CYS 71 -20.981 2.599 2.599 558 2HB CYS 71 1HB CYS 71 -22.678 2.716 2.716 559 H THR 72 H THR 72 -22.376 5.423 5.423 560 HA THR 72 HA THR 72 -21.342 7.354 7.354 561 HB THR 72 HB THR 72 -22.510 8.078 8.078 562 HG1 THR 72 HG1 THR 72 -20.870 7.147 7.147 563 1HG2 THR 72 1HG2 THR 72 -20.638 9.364 9.364 564 2HG2 THR 72 3HG2 THR 72 -20.692 9.885 9.885 565 3HG2 THR 72 2HG2 THR 72 -22.134 10.007 10.007 566 H ARG 73 H ARG 73 -22.647 8.854 8.854 567 HA ARG 73 HA ARG 73 -25.394 8.195 8.195 568 1HB ARG 73 2HB ARG 73 -23.654 9.607 9.607 569 2HB ARG 73 1HB ARG 73 -24.308 10.954 10.954 570 1HG ARG 73 2HG ARG 73 -26.495 9.332 9.332 571 2HG ARG 73 1HG ARG 73 -25.440 9.713 9.713 572 1HD ARG 73 2HD ARG 73 -26.808 11.589 11.589 573 2HD ARG 73 1HD ARG 73 -25.498 12.144 12.144 574 HE ARG 73 HE ARG 73 -27.158 11.105 11.105 575 1HH1 ARG 73 2HH1 ARG 73 -29.242 11.325 11.325 576 2HH1 ARG 73 1HH1 ARG 73 -30.016 12.810 12.810 577 1HH2 ARG 73 1HH2 ARG 73 -27.535 13.755 13.755 578 2HH2 ARG 73 2HH2 ARG 73 -29.051 14.186 14.186 579 H THR 74 H THR 74 -26.807 8.309 8.309 580 HA THR 74 HA THR 74 -27.033 10.945 10.945 581 HB THR 74 HB THR 74 -27.621 9.476 9.476 582 HG1 THR 74 HG1 THR 74 -27.093 7.466 7.466 583 1HG2 THR 74 2HG2 THR 74 -25.490 10.966 10.966 584 2HG2 THR 74 1HG2 THR 74 -24.707 9.393 9.393 585 3HG2 THR 74 3HG2 THR 74 -25.574 10.072 10.072 586 H SER 75 H SER 75 -28.757 7.893 7.893 587 HA SER 75 HA SER 75 -31.142 8.652 8.652 588 1HB SER 75 2HB SER 75 -30.955 10.016 10.016 589 2HB SER 75 1HB SER 75 -31.685 8.536 8.536 590 HG SER 75 HG SER 75 -32.641 10.026 10.026 591 H ILE 76 H ILE 76 -32.929 7.057 7.057 592 HA ILE 76 HA ILE 76 -33.744 4.883 4.883 593 HB ILE 76 HB ILE 76 -31.354 4.382 4.382 594 1HG1 ILE 76 2HG1 ILE 76 -34.047 5.456 5.456 595 2HG1 ILE 76 1HG1 ILE 76 -32.660 6.506 6.506 596 1HG2 ILE 76 3HG2 ILE 76 -32.734 2.428 2.428 597 2HG2 ILE 76 2HG2 ILE 76 -34.171 3.259 3.259 598 3HG2 ILE 76 1HG2 ILE 76 -32.892 2.799 2.799 599 1HD1 ILE 76 1HD1 ILE 76 -31.361 5.008 5.008 600 2HD1 ILE 76 3HD1 ILE 76 -32.919 4.314 4.314 601 3HD1 ILE 76 2HD1 ILE 76 -32.606 6.028 6.028 602 H THR 77 H THR 77 -33.337 2.723 2.723 603 HA THR 77 HA THR 77 -32.493 1.189 1.189 604 HB THR 77 HB THR 77 -30.226 0.512 0.512 605 HG1 THR 77 HG1 THR 77 -28.852 2.081 2.081 606 1HG2 THR 77 1HG2 THR 77 -31.888 0.481 0.481 607 2HG2 THR 77 3HG2 THR 77 -30.903 1.796 1.796 608 3HG2 THR 77 2HG2 THR 77 -30.177 0.219 0.219 609 HA PRO 78 HA PRO 78 -31.237 4.473 4.473 610 1HB PRO 78 2HB PRO 78 -33.622 4.640 4.640 611 2HB PRO 78 1HB PRO 78 -33.207 5.686 5.686 612 1HG PRO 78 2HG PRO 78 -35.122 3.413 3.413 613 2HG PRO 78 1HG PRO 78 -35.080 4.799 4.799 614 1HD PRO 78 2HD PRO 78 -34.197 2.154 2.154 615 2HD PRO 78 1HD PRO 78 -33.950 3.597 3.597 616 H ARG 79 H ARG 79 -29.967 3.084 3.084 617 HA ARG 79 HA ARG 79 -31.391 1.276 1.276 618 1HB ARG 79 2HB ARG 79 -30.554 0.102 0.102 619 2HB ARG 79 1HB ARG 79 -28.943 0.316 0.316 620 1HG ARG 79 2HG ARG 79 -29.320 -1.609 -1.609 621 2HG ARG 79 1HG ARG 79 -30.406 -0.668 -0.668 622 1HD ARG 79 2HD ARG 79 -31.726 -2.491 -2.491 623 2HD ARG 79 1HD ARG 79 -32.206 -1.152 -1.152 624 HE ARG 79 HE ARG 79 -30.356 -2.210 -2.210 625 1HH1 ARG 79 1HH2 ARG 79 -30.156 -4.657 -4.657 626 2HH1 ARG 79 2HH2 ARG 79 -31.265 -5.738 -5.738 627 1HH2 ARG 79 2HH1 ARG 79 -32.830 -3.240 -3.240 628 2HH2 ARG 79 1HH1 ARG 79 -32.779 -4.935 -4.935 629 HA PRO 80 HA PRO 80 -31.725 3.378 3.378 630 1HB PRO 80 2HB PRO 80 -31.273 5.679 5.679 631 2HB PRO 80 1HB PRO 80 -31.649 4.135 4.135 632 1HG PRO 80 2HG PRO 80 -29.062 5.589 5.589 633 2HG PRO 80 1HG PRO 80 -29.618 4.380 4.380 634 1HD PRO 80 2HD PRO 80 -27.835 3.956 3.956 635 2HD PRO 80 1HD PRO 80 -28.510 2.723 2.723 636 H CYS 81 H CYS 81 -28.767 5.370 5.370 637 HA CYS 81 HA CYS 81 -29.796 7.454 7.454 638 1HB CYS 81 2HB CYS 81 -26.994 6.358 6.358 639 2HB CYS 81 1HB CYS 81 -27.353 7.833 7.833 640 HA PRO 82 HA PRO 82 -30.056 5.453 5.453 641 1HB PRO 82 2HB PRO 82 -29.801 7.616 7.616 642 2HB PRO 82 1HB PRO 82 -31.284 7.244 7.244 643 1HG PRO 82 2HG PRO 82 -29.228 9.344 9.344 644 2HG PRO 82 1HG PRO 82 -30.964 9.353 9.353 645 1HD PRO 82 2HD PRO 82 -28.949 8.863 8.863 646 2HD PRO 82 1HD PRO 82 -30.667 8.437 8.437 647 H TYR 83 H TYR 83 -28.559 4.421 4.421 648 HA TYR 83 HA TYR 83 -25.963 5.763 5.763 649 1HB TYR 83 2HB TYR 83 -26.296 3.252 3.252 650 2HB TYR 83 1HB TYR 83 -24.913 3.397 3.397 651 HD1 TYR 83 HD2 TYR 83 -26.736 5.258 5.258 652 HD2 TYR 83 HD1 TYR 83 -23.030 4.564 4.564 653 HE1 TYR 83 HE2 TYR 83 -25.565 6.718 6.718 654 HE2 TYR 83 HE1 TYR 83 -21.859 6.020 6.020 655 HH TYR 83 HH TYR 83 -23.311 7.056 7.056 656 H SER 84 H SER 84 -25.138 5.237 5.237 657 HA SER 84 HA SER 84 -26.478 3.032 3.032 658 1HB SER 84 2HB SER 84 -26.993 5.541 5.541 659 2HB SER 84 1HB SER 84 -25.376 5.503 5.503 660 HG SER 84 HG SER 84 -27.583 4.624 4.624 661 H SER 85 H SER 85 -25.035 1.549 1.549 662 HA SER 85 HA SER 85 -22.158 2.004 2.004 663 1HB SER 85 2HB SER 85 -23.383 -0.470 -0.470 664 2HB SER 85 1HB SER 85 -21.901 -0.325 -0.325 665 HG SER 85 HG SER 85 -24.590 -0.228 -0.228 666 H ARG 86 H ARG 86 -20.637 2.181 2.181 667 HA ARG 86 HA ARG 86 -21.296 1.718 1.718 668 1HB ARG 86 2HB ARG 86 -20.962 4.433 4.433 669 2HB ARG 86 1HB ARG 86 -20.204 4.143 4.143 670 1HG ARG 86 2HG ARG 86 -22.589 3.057 3.057 671 2HG ARG 86 1HG ARG 86 -23.105 4.181 4.181 672 1HD ARG 86 2HD ARG 86 -22.872 5.962 5.962 673 2HD ARG 86 1HD ARG 86 -21.276 5.436 5.436 674 HE ARG 86 HE ARG 86 -23.173 3.749 3.749 675 1HH1 ARG 86 2HH1 ARG 86 -21.255 6.427 6.427 676 2HH1 ARG 86 1HH1 ARG 86 -22.170 7.050 7.050 677 1HH2 ARG 86 1HH2 ARG 86 -24.783 4.806 4.806 678 2HH2 ARG 86 2HH2 ARG 86 -24.168 6.134 6.134 679 H THR 87 H THR 87 -19.529 0.724 0.724 680 HA THR 87 HA THR 87 -16.926 0.921 0.921 681 HB THR 87 HB THR 87 -17.376 -0.817 -0.817 682 HG1 THR 87 HG1 THR 87 -18.209 -1.419 -1.419 683 1HG2 THR 87 2HG2 THR 87 -15.822 -1.086 -1.086 684 2HG2 THR 87 1HG2 THR 87 -15.881 -2.314 -2.314 685 3HG2 THR 87 3HG2 THR 87 -15.151 -0.743 -0.743 686 H GLU 88 H GLU 88 -14.965 1.445 1.445 687 HA GLU 88 HA GLU 88 -14.867 2.259 2.259 688 1HB GLU 88 2HB GLU 88 -16.189 4.120 4.120 689 2HB GLU 88 1HB GLU 88 -14.544 4.749 4.749 690 1HG GLU 88 2HG GLU 88 -14.585 4.541 4.541 691 2HG GLU 88 1HG GLU 88 -16.269 4.030 4.030 692 H THR 89 H THR 89 -12.910 4.168 4.168 693 HA THR 89 HA THR 89 -10.531 2.717 2.717 694 HB THR 89 HB THR 89 -10.995 5.640 5.640 695 HG1 THR 89 HG1 THR 89 -10.405 4.914 4.914 696 1HG2 THR 89 3HG2 THR 89 -8.503 4.132 4.132 697 2HG2 THR 89 2HG2 THR 89 -8.442 5.248 5.248 698 3HG2 THR 89 1HG2 THR 89 -8.884 5.831 5.831 699 H ASN 90 H ASN 90 -9.113 2.991 2.991 700 HA ASN 90 HA ASN 90 -10.206 4.611 4.611 701 1HB ASN 90 2HB ASN 90 -10.010 2.154 2.154 702 2HB ASN 90 1HB ASN 90 -8.273 2.315 2.315 703 1HD2 ASN 90 2HD2 ASN 90 -9.717 4.438 4.438 704 2HD2 ASN 90 1HD2 ASN 90 -10.515 4.557 4.557 705 H TYR 91 H TYR 91 -9.286 6.531 6.531 706 HA TYR 91 HA TYR 91 -6.311 6.757 6.757 707 1HB TYR 91 2HB TYR 91 -7.966 7.934 7.934 708 2HB TYR 91 1HB TYR 91 -8.101 9.121 9.121 709 HD1 TYR 91 HD1 TYR 91 -5.961 10.130 10.130 710 HD2 TYR 91 HD2 TYR 91 -6.046 7.842 7.842 711 HE1 TYR 91 HE1 TYR 91 -3.758 11.074 11.074 712 HE2 TYR 91 HE2 TYR 91 -3.849 8.787 8.787 713 HH TYR 91 HH TYR 91 -2.586 11.399 11.399 714 H ILE 92 H ILE 92 -5.636 7.030 7.030 715 HA ILE 92 HA ILE 92 -7.427 8.662 8.662 716 HB ILE 92 HB ILE 92 -5.783 6.776 6.776 717 1HG1 ILE 92 2HG1 ILE 92 -7.892 5.458 5.458 718 2HG1 ILE 92 1HG1 ILE 92 -6.189 5.445 5.445 719 1HG2 ILE 92 3HG2 ILE 92 -8.682 7.515 7.515 720 2HG2 ILE 92 2HG2 ILE 92 -8.199 6.107 6.107 721 3HG2 ILE 92 1HG2 ILE 92 -7.589 7.707 7.707 722 1HD1 ILE 92 2HD1 ILE 92 -5.777 4.587 4.587 723 2HD1 ILE 92 1HD1 ILE 92 -7.498 4.206 4.206 724 3HD1 ILE 92 3HD1 ILE 92 -6.425 3.455 3.455 725 H CYS 93 H CYS 93 -6.268 9.236 9.236 726 HA CYS 93 HA CYS 93 -3.459 10.185 10.185 727 1HB CYS 93 2HB CYS 93 -4.955 12.126 12.126 728 2HB CYS 93 1HB CYS 93 -5.728 11.673 11.673 729 H VAL 94 H VAL 94 -2.458 8.582 8.582 730 HA VAL 94 HA VAL 94 -3.518 8.155 8.155 731 HB VAL 94 HB VAL 94 -3.442 6.187 6.187 732 1HG1 VAL 94 3HG1 VAL 94 -1.120 6.961 6.961 733 2HG1 VAL 94 2HG1 VAL 94 -0.480 6.125 6.125 734 3HG1 VAL 94 1HG1 VAL 94 -1.409 5.234 5.234 735 1HG2 VAL 94 2HG2 VAL 94 -3.308 6.166 6.166 736 2HG2 VAL 94 1HG2 VAL 94 -2.913 4.687 4.687 737 3HG2 VAL 94 3HG2 VAL 94 -1.621 5.712 5.712 738 H LYS 95 H LYS 95 -1.887 7.635 7.635 739 HA LYS 95 HA LYS 95 0.631 9.132 9.132 740 1HB LYS 95 2HB LYS 95 -1.045 8.843 8.843 741 2HB LYS 95 1HB LYS 95 0.548 9.601 9.601 742 1HG LYS 95 2HG LYS 95 -1.178 10.691 10.691 743 2HG LYS 95 1HG LYS 95 -1.922 10.860 10.860 744 1HD LYS 95 2HD LYS 95 0.962 11.617 11.617 745 2HD LYS 95 1HD LYS 95 -0.350 12.754 12.754 746 1HE LYS 95 2HE LYS 95 -1.128 12.538 12.538 747 2HE LYS 95 1HE LYS 95 0.123 11.340 11.340 748 1HZ LYS 95 3HZ LYS 95 1.697 13.191 13.191 749 2HZ LYS 95 2HZ LYS 95 0.402 14.231 14.231 750 3HZ LYS 95 1HZ LYS 95 1.086 13.274 13.274 751 H CYS 96 H CYS 96 2.562 8.004 8.004 752 HA CYS 96 HA CYS 96 2.050 5.225 5.225 753 1HB CYS 96 2HB CYS 96 3.718 6.238 6.238 754 2HB CYS 96 1HB CYS 96 4.336 4.861 4.861 755 H GLU 97 H GLU 97 2.819 4.740 4.740 756 HA GLU 97 HA GLU 97 5.402 5.904 5.904 757 1HB GLU 97 2HB GLU 97 3.606 6.598 6.598 758 2HB GLU 97 1HB GLU 97 2.974 4.958 4.958 759 1HG GLU 97 2HG GLU 97 4.821 4.194 4.194 760 2HG GLU 97 1HG GLU 97 5.794 5.608 5.608 761 H ASN 98 H ASN 98 6.941 4.237 4.237 762 HA ASN 98 HA ASN 98 7.888 2.051 2.051 763 1HB ASN 98 2HB ASN 98 5.062 1.360 1.360 764 2HB ASN 98 1HB ASN 98 6.326 0.149 0.149 765 1HD2 ASN 98 2HD2 ASN 98 6.191 1.888 1.888 766 2HD2 ASN 98 1HD2 ASN 98 4.883 1.604 1.604 767 H GLN 99 H GLN 99 6.664 3.443 3.443 768 HA GLN 99 HA GLN 99 6.020 3.272 3.272 769 1HB GLN 99 2HB GLN 99 7.048 1.471 1.471 770 2HB GLN 99 1HB GLN 99 8.190 2.172 2.172 771 1HG GLN 99 2HG GLN 99 7.976 0.310 0.310 772 2HG GLN 99 1HG GLN 99 6.601 -0.333 -0.333 773 1HE2 GLN 99 2HE2 GLN 99 8.905 -1.177 -1.177 774 2HE2 GLN 99 1HE2 GLN 99 7.523 -0.208 -0.208 775 H TYR 100 H TYR 100 4.216 1.736 1.736 776 HA TYR 100 HA TYR 100 2.522 0.488 0.488 777 1HB TYR 100 2HB TYR 100 2.181 -1.306 -1.306 778 2HB TYR 100 1HB TYR 100 3.336 -0.639 -0.639 779 HD1 TYR 100 HD1 TYR 100 -0.298 -0.044 -0.044 780 HD2 TYR 100 HD2 TYR 100 2.587 -0.482 -0.482 781 HE1 TYR 100 HE1 TYR 100 -2.077 0.305 0.305 782 HE2 TYR 100 HE2 TYR 100 0.797 -0.134 -0.134 783 HH TYR 100 HH TYR 100 -1.913 1.238 1.238 784 HA PRO 101 HA PRO 101 0.100 4.132 4.132 785 1HB PRO 101 2HB PRO 101 -2.416 3.159 3.159 786 2HB PRO 101 1HB PRO 101 -1.207 3.623 3.623 787 1HG PRO 101 2HG PRO 101 -1.927 0.869 0.869 788 2HG PRO 101 1HG PRO 101 -1.499 1.394 1.394 789 1HD PRO 101 2HD PRO 101 0.294 0.115 0.115 790 2HD PRO 101 1HD PRO 101 0.794 1.334 1.334 791 H VAL 102 H VAL 102 0.455 4.249 4.249 792 HA VAL 102 HA VAL 102 -1.227 2.674 2.674 793 HB VAL 102 HB VAL 102 0.878 4.796 4.796 794 1HG1 VAL 102 1HG1 VAL 102 -0.757 3.007 3.007 795 2HG1 VAL 102 3HG1 VAL 102 0.831 3.586 3.586 796 3HG1 VAL 102 2HG1 VAL 102 -0.456 4.739 4.739 797 1HG2 VAL 102 2HG2 VAL 102 1.188 2.172 2.172 798 2HG2 VAL 102 1HG2 VAL 102 2.426 3.167 3.167 799 3HG2 VAL 102 3HG2 VAL 102 1.479 2.056 2.056 800 H HIS 103 H HIS 103 -1.261 5.816 5.816 801 HA HIS 103 HA HIS 103 -3.636 6.511 6.511 802 1HB HIS 103 2HB HIS 103 -2.316 8.974 8.974 803 2HB HIS 103 1HB HIS 103 -2.499 8.185 8.185 804 HD1 HIS 103 HD1 HIS 103 -0.252 8.082 8.082 805 HD2 HIS 103 HD2 HIS 103 0.092 7.441 7.441 806 HE1 HIS 103 HE1 HIS 103 2.200 7.587 7.587 807 H PHE 104 H PHE 104 -5.204 7.738 7.738 808 HA PHE 104 HA PHE 104 -4.496 7.891 7.891 809 1HB PHE 104 2HB PHE 104 -6.769 6.695 6.695 810 2HB PHE 104 1HB PHE 104 -7.357 8.143 8.143 811 HD1 PHE 104 HD2 PHE 104 -5.444 8.340 8.340 812 HD2 PHE 104 HD1 PHE 104 -7.429 4.913 4.913 813 HE1 PHE 104 HE2 PHE 104 -5.210 7.193 7.193 814 HE2 PHE 104 HE1 PHE 104 -7.215 3.748 3.748 815 HZ PHE 104 HZ PHE 104 -6.116 4.894 4.894 816 H ALA 105 H ALA 105 -4.578 9.860 9.860 817 HA ALA 105 HA ALA 105 -5.276 12.209 12.209 818 1HB ALA 105 3HB ALA 105 -3.528 11.837 11.837 819 2HB ALA 105 2HB ALA 105 -4.037 13.443 13.443 820 3HB ALA 105 1HB ALA 105 -3.082 12.427 12.427 821 H GLY 106 H GLY 106 -6.422 10.510 10.510 822 1HA GLY 106 2HA GLY 106 -8.826 12.021 12.021 823 2HA GLY 106 1HA GLY 106 -7.699 12.655 12.655 824 H ILE 107 H ILE 107 -9.920 11.625 11.625 825 HA ILE 107 HA ILE 107 -9.434 8.789 8.789 826 HB ILE 107 HB ILE 107 -11.714 8.993 8.993 827 1HG1 ILE 107 2HG1 ILE 107 -12.146 11.472 11.472 828 2HG1 ILE 107 1HG1 ILE 107 -11.339 11.643 11.643 829 1HG2 ILE 107 3HG2 ILE 107 -11.137 8.266 8.266 830 2HG2 ILE 107 2HG2 ILE 107 -11.866 9.808 9.808 831 3HG2 ILE 107 1HG2 ILE 107 -12.819 8.600 8.600 832 1HD1 ILE 107 3HD1 ILE 107 -13.883 10.047 10.047 833 2HD1 ILE 107 2HD1 ILE 107 -13.935 11.799 11.799 834 3HD1 ILE 107 1HD1 ILE 107 -13.188 10.804 10.804 835 H GLY 108 H GLY 108 -7.816 11.103 11.103 836 1HA GLY 108 2HA GLY 108 -6.911 10.474 10.474 837 2HA GLY 108 1HA GLY 108 -8.504 11.040 11.040 838 H ARG 109 H ARG 109 -9.059 13.298 13.298 839 HA ARG 109 HA ARG 109 -7.215 15.220 15.220 840 1HB ARG 109 2HB ARG 109 -9.605 15.453 15.453 841 2HB ARG 109 1HB ARG 109 -8.676 16.862 16.862 842 1HG ARG 109 2HG ARG 109 -9.090 16.307 16.307 843 2HG ARG 109 1HG ARG 109 -9.979 14.863 14.863 844 1HD ARG 109 2HD ARG 109 -10.851 17.484 17.484 845 2HD ARG 109 1HD ARG 109 -11.241 17.150 17.150 846 HE ARG 109 HE ARG 109 -12.547 15.963 15.963 847 1HH1 ARG 109 1HH1 ARG 109 -12.629 12.885 12.885 848 2HH1 ARG 109 2HH1 ARG 109 -11.819 13.404 13.404 849 1HH2 ARG 109 1HH2 ARG 109 -13.369 16.103 16.103 850 2HH2 ARG 109 2HH2 ARG 109 -13.506 14.414 14.414 851 H CYS 110 H CYS 110 -5.727 16.568 16.568 852 HA CYS 110 HA CYS 110 -5.350 16.661 16.661 853 1HB CYS 110 2HB CYS 110 -4.076 14.508 14.508 854 2HB CYS 110 1HB CYS 110 -2.873 15.524 15.524 855 HA PRO 111 HA PRO 111 -2.899 20.138 20.138 856 1HB PRO 111 2HB PRO 111 -1.086 20.434 20.434 857 2HB PRO 111 1HB PRO 111 -2.794 20.883 20.883 858 1HG PRO 111 2HG PRO 111 -1.367 18.525 18.525 859 2HG PRO 111 1HG PRO 111 -2.802 19.370 19.370 860 1HD PRO 111 1HD PRO 111 -2.809 16.917 16.917 861 2HD PRO 111 2HD PRO 111 -4.216 17.967 17.967
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