NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
14795 | 1x4x | 11125 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 -18.835 -18.711 8.715 2 HA2 GLY 1 1HA GLY 1 -16.440 -19.758 9.406 3 HA3 GLY 1 2HA GLY 1 -17.650 -19.324 10.604 4 H SER 2 H SER 2 -19.302 -21.023 11.081 5 HA SER 2 HA SER 2 -18.173 -23.312 12.075 6 HB2 SER 2 1HB SER 2 -20.467 -24.244 12.180 7 HB3 SER 2 2HB SER 2 -20.403 -22.569 12.730 8 HG SER 2 HG SER 2 -21.174 -21.947 10.669 9 H SER 3 H SER 3 -19.742 -22.894 8.923 10 HA SER 3 HA SER 3 -18.248 -25.190 7.920 11 HB2 SER 3 1HB SER 3 -21.253 -24.975 7.940 12 HB3 SER 3 2HB SER 3 -20.409 -25.957 6.741 13 HG SER 3 HG SER 3 -19.759 -27.319 8.284 14 H GLY 4 H GLY 4 -17.109 -24.246 6.347 15 HA2 GLY 4 1HA GLY 4 -17.201 -23.629 3.991 16 HA3 GLY 4 2HA GLY 4 -18.600 -22.636 4.372 17 H SER 5 H SER 5 -15.437 -22.487 3.600 18 HA SER 5 HA SER 5 -14.544 -20.437 5.390 19 HB2 SER 5 1HB SER 5 -13.380 -21.096 2.681 20 HB3 SER 5 2HB SER 5 -12.563 -20.353 4.055 21 HG SER 5 HG SER 5 -13.250 -22.482 5.117 22 H SER 6 H SER 6 -14.311 -18.240 4.997 23 HA SER 6 HA SER 6 -15.556 -17.161 2.573 24 HB2 SER 6 1HB SER 6 -17.086 -17.271 4.730 25 HB3 SER 6 2HB SER 6 -16.176 -15.827 5.176 26 HG SER 6 HG SER 6 -17.965 -16.230 3.062 27 H GLY 7 H GLY 7 -14.730 -15.211 1.872 28 HA2 GLY 7 1HA GLY 7 -13.486 -13.186 2.199 29 HA3 GLY 7 2HA GLY 7 -12.636 -13.967 3.525 30 HA PRO 8 HA PRO 8 -10.490 -14.420 -0.769 31 HB2 PRO 8 1HB PRO 8 -9.011 -12.146 -0.874 32 HB3 PRO 8 2HB PRO 8 -10.626 -12.275 -1.581 33 HG2 PRO 8 1HG PRO 8 -9.794 -11.090 1.039 34 HG3 PRO 8 2HG PRO 8 -10.951 -10.470 -0.153 35 HD2 PRO 8 1HD PRO 8 -11.728 -11.764 2.096 36 HD3 PRO 8 2HD PRO 8 -12.639 -11.861 0.576 37 H ASP 9 H ASP 9 -8.067 -14.457 -1.084 38 HA ASP 9 HA ASP 9 -6.841 -15.443 1.345 39 HB2 ASP 9 1HB ASP 9 -6.176 -15.530 -1.567 40 HB3 ASP 9 2HB ASP 9 -4.883 -15.786 -0.399 41 H GLN 10 H GLN 10 -4.622 -14.817 1.935 42 HA GLN 10 HA GLN 10 -4.331 -12.216 2.646 43 HB2 GLN 10 1HB GLN 10 -2.880 -14.127 3.368 44 HB3 GLN 10 2HB GLN 10 -2.013 -13.978 1.845 45 HG2 GLN 10 1HG GLN 10 -1.636 -11.530 2.559 46 HG3 GLN 10 2HG GLN 10 -2.078 -12.099 4.168 47 HE21 GLN 10 1HE2 GLN 10 0.397 -11.033 3.673 48 HE22 GLN 10 2HE2 GLN 10 1.596 -12.270 3.789 49 H CYS 11 H CYS 11 -3.248 -10.391 1.855 50 HA CYS 11 HA CYS 11 -3.110 -10.283 -1.068 51 HB2 CYS 11 1HB CYS 11 -3.360 -8.144 1.045 52 HB3 CYS 11 2HB CYS 11 -3.040 -7.773 -0.645 53 HG CYS 11 HG CYS 11 -5.706 -9.745 -0.058 54 H LYS 12 H LYS 12 -1.258 -9.969 -2.144 55 HA LYS 12 HA LYS 12 1.228 -10.173 -0.757 56 HB2 LYS 12 1HB LYS 12 0.495 -9.766 -3.650 57 HB3 LYS 12 2HB LYS 12 2.168 -9.782 -3.110 58 HG2 LYS 12 1HG LYS 12 1.631 -12.055 -2.078 59 HG3 LYS 12 2HG LYS 12 0.167 -12.014 -3.065 60 HD2 LYS 12 1HD LYS 12 2.891 -11.570 -4.252 61 HD3 LYS 12 2HD LYS 12 2.223 -13.189 -4.038 62 HE2 LYS 12 1HE LYS 12 0.254 -12.510 -5.368 63 HE3 LYS 12 2HE LYS 12 1.008 -10.939 -5.637 64 HZ1 LYS 12 1HZ LYS 12 1.260 -12.898 -7.349 65 HZ2 LYS 12 2HZ LYS 12 2.543 -13.329 -6.335 66 HZ3 LYS 12 3HZ LYS 12 2.521 -11.806 -7.072 67 HA PRO 13 HA PRO 13 2.298 -5.956 -0.167 68 HB2 PRO 13 1HB PRO 13 4.994 -6.060 -0.466 69 HB3 PRO 13 2HB PRO 13 4.160 -6.712 0.949 70 HG2 PRO 13 1HG PRO 13 5.188 -8.144 -1.471 71 HG3 PRO 13 2HG PRO 13 5.295 -8.612 0.236 72 HD2 PRO 13 1HD PRO 13 3.461 -9.670 -1.453 73 HD3 PRO 13 2HD PRO 13 3.140 -9.429 0.277 74 HA PRO 14 HA PRO 14 2.429 -4.142 -4.206 75 HB2 PRO 14 1HB PRO 14 2.751 -1.561 -3.429 76 HB3 PRO 14 2HB PRO 14 1.212 -2.419 -3.296 77 HG2 PRO 14 1HG PRO 14 3.277 -1.896 -1.193 78 HG3 PRO 14 2HG PRO 14 1.510 -1.778 -1.081 79 HD2 PRO 14 1HD PRO 14 2.891 -3.909 -0.140 80 HD3 PRO 14 2HD PRO 14 1.251 -4.051 -0.804 81 H GLN 15 H GLN 15 3.839 -2.383 -5.326 82 HA GLN 15 HA GLN 15 6.651 -2.914 -4.629 83 HB2 GLN 15 1HB GLN 15 5.991 -3.929 -6.754 84 HB3 GLN 15 2HB GLN 15 5.431 -2.368 -7.340 85 HG2 GLN 15 1HG GLN 15 7.481 -2.489 -8.333 86 HG3 GLN 15 2HG GLN 15 7.888 -1.633 -6.846 87 HE21 GLN 15 1HE2 GLN 15 9.303 -2.520 -5.463 88 HE22 GLN 15 2HE2 GLN 15 10.041 -4.068 -5.668 89 H VAL 16 H VAL 16 7.670 -1.212 -3.826 90 HA VAL 16 HA VAL 16 6.664 1.473 -4.354 91 HB VAL 16 HB VAL 16 8.295 2.185 -2.624 92 HG11 VAL 16 1HG1 VAL 16 6.616 -0.096 -1.613 93 HG12 VAL 16 2HG1 VAL 16 7.046 1.399 -0.778 94 HG13 VAL 16 3HG1 VAL 16 5.927 1.439 -2.140 95 HG21 VAL 16 1HG2 VAL 16 10.027 0.870 -2.163 96 HG22 VAL 16 2HG2 VAL 16 8.914 -0.254 -1.384 97 HG23 VAL 16 3HG2 VAL 16 9.323 -0.456 -3.088 98 H THR 17 H THR 17 7.699 2.983 -5.536 99 HA THR 17 HA THR 17 10.396 2.360 -6.536 100 HB THR 17 HB THR 17 8.074 3.391 -8.175 101 HG1 THR 17 1HG THR 17 7.946 1.380 -8.807 102 HG21 THR 17 1HG2 THR 17 10.997 3.112 -8.874 103 HG22 THR 17 2HG2 THR 17 10.038 4.592 -8.857 104 HG23 THR 17 3HG2 THR 17 9.714 3.344 -10.061 105 H CYS 18 H CYS 18 11.362 3.827 -5.140 106 HA CYS 18 HA CYS 18 10.563 6.375 -4.490 107 HB2 CYS 18 1HB CYS 18 12.951 6.870 -4.079 108 HB3 CYS 18 2HB CYS 18 12.475 5.305 -3.431 109 HG CYS 18 HG CYS 18 14.820 4.552 -4.355 110 H ARG 19 H ARG 19 9.621 7.481 -6.190 111 HA ARG 19 HA ARG 19 10.827 7.850 -8.719 112 HB2 ARG 19 1HB ARG 19 8.614 9.252 -7.246 113 HB3 ARG 19 2HB ARG 19 9.179 9.843 -8.803 114 HG2 ARG 19 1HG ARG 19 8.245 7.021 -8.371 115 HG3 ARG 19 2HG ARG 19 7.169 8.334 -8.854 116 HD2 ARG 19 1HD ARG 19 9.676 7.838 -10.396 117 HD3 ARG 19 2HD ARG 19 8.277 6.795 -10.656 118 HE ARG 19 HE ARG 19 8.617 9.434 -11.621 119 HH11 ARG 19 1HH1 ARG 19 6.214 7.272 -10.327 120 HH12 ARG 19 2HH1 ARG 19 4.893 8.045 -11.141 121 HH21 ARG 19 1HH2 ARG 19 6.887 10.459 -12.698 122 HH22 ARG 19 2HH2 ARG 19 5.277 9.856 -12.490 123 H SER 20 H SER 20 11.044 9.577 -5.688 124 HA SER 20 HA SER 20 13.413 10.934 -6.508 125 HB2 SER 20 1HB SER 20 10.899 12.584 -6.157 126 HB3 SER 20 2HB SER 20 12.531 13.249 -6.239 127 HG SER 20 HG SER 20 12.038 13.317 -8.303 128 H ALA 21 H ALA 21 13.981 12.671 -4.749 129 HA ALA 21 HA ALA 21 14.307 11.391 -2.324 130 HB1 ALA 21 1HB ALA 21 14.325 14.103 -1.690 131 HB2 ALA 21 2HB ALA 21 15.704 13.113 -2.170 132 HB3 ALA 21 3HB ALA 21 14.810 14.027 -3.385 133 H THR 22 H THR 22 11.689 13.477 -3.394 134 HA THR 22 HA THR 22 10.286 12.913 -0.862 135 HB THR 22 HB THR 22 9.075 15.017 -1.113 136 HG1 THR 22 1HG THR 22 9.011 15.522 -3.219 137 HG21 THR 22 1HG2 THR 22 10.703 16.254 -0.145 138 HG22 THR 22 2HG2 THR 22 11.829 16.001 -1.479 139 HG23 THR 22 3HG2 THR 22 11.627 14.755 -0.248 140 H CYS 23 H CYS 23 10.317 11.378 -3.384 141 HA CYS 23 HA CYS 23 7.420 11.369 -3.837 142 HB2 CYS 23 1HB CYS 23 9.494 11.163 -6.031 143 HB3 CYS 23 2HB CYS 23 7.754 11.006 -6.243 144 HG CYS 23 HG CYS 23 9.009 13.877 -4.925 145 H ALA 24 H ALA 24 6.515 9.361 -4.177 146 HA ALA 24 HA ALA 24 8.175 7.025 -4.535 147 HB1 ALA 24 1HB ALA 24 8.287 7.532 -2.078 148 HB2 ALA 24 2HB ALA 24 6.555 7.208 -2.005 149 HB3 ALA 24 3HB ALA 24 7.671 5.931 -2.487 150 H GLN 25 H GLN 25 7.101 5.705 -5.841 151 HA GLN 25 HA GLN 25 4.182 5.944 -5.999 152 HB2 GLN 25 1HB GLN 25 5.887 6.123 -8.015 153 HB3 GLN 25 2HB GLN 25 5.768 4.369 -7.976 154 HG2 GLN 25 1HG GLN 25 3.389 6.196 -8.170 155 HG3 GLN 25 2HG GLN 25 4.217 5.510 -9.566 156 HE21 GLN 25 1HE2 GLN 25 4.715 2.982 -8.871 157 HE22 GLN 25 2HE2 GLN 25 3.250 2.122 -8.559 158 H VAL 26 H VAL 26 2.835 4.146 -5.910 159 HA VAL 26 HA VAL 26 4.084 1.639 -4.999 160 HB VAL 26 HB VAL 26 1.434 2.551 -3.927 161 HG11 VAL 26 1HG1 VAL 26 1.877 0.251 -3.559 162 HG12 VAL 26 2HG1 VAL 26 3.533 0.582 -3.046 163 HG13 VAL 26 3HG1 VAL 26 2.179 1.072 -2.028 164 HG21 VAL 26 1HG2 VAL 26 2.456 3.590 -2.054 165 HG22 VAL 26 2HG2 VAL 26 4.063 3.057 -2.549 166 HG23 VAL 26 3HG2 VAL 26 3.212 4.284 -3.488 167 H ASN 27 H ASN 27 2.888 -0.285 -5.431 168 HA ASN 27 HA ASN 27 0.562 -0.106 -7.156 169 HB2 ASN 27 1HB ASN 27 3.266 -0.917 -8.110 170 HB3 ASN 27 2HB ASN 27 1.881 -1.823 -8.710 171 HD21 ASN 27 1HD2 ASN 27 3.842 0.241 -9.833 172 HD22 ASN 27 2HD2 ASN 27 2.816 1.356 -10.665 173 H TRP 28 H TRP 28 -0.795 -1.760 -6.816 174 HA TRP 28 HA TRP 28 0.259 -4.199 -5.555 175 HB2 TRP 28 1HB TRP 28 -1.777 -4.278 -4.131 176 HB3 TRP 28 2HB TRP 28 -0.749 -2.889 -3.785 177 HD1 TRP 28 HD TRP 28 -4.187 -3.810 -5.133 178 HE1 TRP 28 1HE TRP 28 -5.607 -1.672 -5.332 179 HE3 TRP 28 3HE TRP 28 -0.557 -0.336 -4.191 180 HZ2 TRP 28 2HZ TRP 28 -5.236 1.118 -5.117 181 HZ3 TRP 28 3HZ TRP 28 -1.172 2.046 -4.206 182 HH2 TRP 28 HH TRP 28 -3.463 2.756 -4.661 183 H GLU 29 H GLU 29 -1.779 -5.828 -5.447 184 HA GLU 29 HA GLU 29 -3.348 -5.714 -7.891 185 HB2 GLU 29 1HB GLU 29 -1.165 -7.713 -7.398 186 HB3 GLU 29 2HB GLU 29 -2.566 -8.148 -8.367 187 HG2 GLU 29 1HG GLU 29 -0.920 -5.717 -8.969 188 HG3 GLU 29 2HG GLU 29 -0.495 -7.312 -9.586 189 H VAL 30 H VAL 30 -4.749 -7.769 -8.046 190 HA VAL 30 HA VAL 30 -5.920 -8.192 -5.405 191 HB VAL 30 HB VAL 30 -6.971 -8.902 -8.148 192 HG11 VAL 30 1HG1 VAL 30 -9.029 -9.500 -7.098 193 HG12 VAL 30 2HG1 VAL 30 -7.740 -10.397 -6.293 194 HG13 VAL 30 3HG1 VAL 30 -8.442 -8.975 -5.521 195 HG21 VAL 30 1HG2 VAL 30 -7.539 -6.632 -6.259 196 HG22 VAL 30 2HG2 VAL 30 -6.997 -6.549 -7.935 197 HG23 VAL 30 3HG2 VAL 30 -8.637 -7.082 -7.564 198 HA PRO 31 HA PRO 31 -4.170 -12.235 -5.043 199 HB2 PRO 31 1HB PRO 31 -5.770 -13.141 -3.045 200 HB3 PRO 31 2HB PRO 31 -4.463 -11.981 -2.778 201 HG2 PRO 31 1HG PRO 31 -7.401 -11.488 -3.080 202 HG3 PRO 31 2HG PRO 31 -6.258 -10.771 -1.929 203 HD2 PRO 31 1HD PRO 31 -7.076 -9.481 -4.165 204 HD3 PRO 31 2HD PRO 31 -5.456 -9.259 -3.473 205 H LEU 32 H LEU 32 -5.056 -14.560 -4.815 206 HA LEU 32 HA LEU 32 -6.700 -15.084 -7.073 207 HB2 LEU 32 1HB LEU 32 -4.823 -16.507 -5.945 208 HB3 LEU 32 2HB LEU 32 -6.151 -17.131 -4.969 209 HG LEU 32 HG LEU 32 -6.267 -17.207 -7.966 210 HD11 LEU 32 1HD1 LEU 32 -5.538 -19.746 -7.037 211 HD12 LEU 32 2HD1 LEU 32 -4.402 -18.615 -6.301 212 HD13 LEU 32 3HD1 LEU 32 -4.593 -18.657 -8.053 213 HD21 LEU 32 1HD2 LEU 32 -7.714 -18.442 -5.679 214 HD22 LEU 32 2HD2 LEU 32 -7.553 -19.371 -7.170 215 HD23 LEU 32 3HD2 LEU 32 -8.337 -17.791 -7.195 216 H SER 33 H SER 33 -8.587 -13.827 -6.428 217 HA SER 33 HA SER 33 -10.293 -15.221 -4.474 218 HB2 SER 33 1HB SER 33 -10.593 -12.398 -5.527 219 HB3 SER 33 2HB SER 33 -11.535 -13.146 -4.238 220 HG SER 33 HG SER 33 -9.853 -11.837 -3.414 221 H ASN 34 H ASN 34 -11.614 -16.612 -5.440 222 HA ASN 34 HA ASN 34 -12.656 -15.995 -8.108 223 HB2 ASN 34 1HB ASN 34 -13.467 -18.425 -7.957 224 HB3 ASN 34 2HB ASN 34 -11.730 -18.163 -8.078 225 HD21 ASN 34 1HD2 ASN 34 -10.476 -18.289 -6.124 226 HD22 ASN 34 2HD2 ASN 34 -11.006 -19.305 -4.832 227 H GLY 35 H GLY 35 -13.811 -17.155 -4.941 228 HA2 GLY 35 1HA GLY 35 -16.548 -17.070 -5.503 229 HA3 GLY 35 2HA GLY 35 -15.842 -16.929 -3.899 230 H THR 36 H THR 36 -15.541 -14.904 -2.984 231 HA THR 36 HA THR 36 -17.273 -12.845 -4.032 232 HB THR 36 HB THR 36 -17.249 -13.287 -1.624 233 HG1 THR 36 1HG THR 36 -16.905 -11.059 -0.983 234 HG21 THR 36 1HG2 THR 36 -15.298 -13.758 -0.645 235 HG22 THR 36 2HG2 THR 36 -14.932 -12.034 -0.713 236 HG23 THR 36 3HG2 THR 36 -14.388 -13.104 -2.006 237 H ASP 37 H ASP 37 -16.689 -10.845 -4.789 238 HA ASP 37 HA ASP 37 -13.899 -10.581 -5.628 239 HB2 ASP 37 1HB ASP 37 -16.452 -9.248 -6.524 240 HB3 ASP 37 2HB ASP 37 -14.865 -8.680 -7.036 241 H VAL 38 H VAL 38 -12.805 -8.530 -5.438 242 HA VAL 38 HA VAL 38 -13.150 -7.370 -2.839 243 HB VAL 38 HB VAL 38 -11.315 -6.368 -5.011 244 HG11 VAL 38 1HG1 VAL 38 -10.503 -6.358 -2.186 245 HG12 VAL 38 2HG1 VAL 38 -10.314 -5.120 -3.427 246 HG13 VAL 38 3HG1 VAL 38 -11.852 -5.296 -2.584 247 HG21 VAL 38 1HG2 VAL 38 -10.995 -8.779 -4.742 248 HG22 VAL 38 2HG2 VAL 38 -9.611 -7.876 -4.127 249 HG23 VAL 38 3HG2 VAL 38 -10.788 -8.559 -3.004 250 H THR 39 H THR 39 -14.024 -5.452 -2.282 251 HA THR 39 HA THR 39 -15.588 -4.057 -4.285 252 HB THR 39 HB THR 39 -16.239 -2.638 -2.216 253 HG1 THR 39 1HG THR 39 -14.995 -3.155 -0.566 254 HG21 THR 39 1HG2 THR 39 -17.383 -5.049 -1.403 255 HG22 THR 39 2HG2 THR 39 -17.071 -5.254 -3.126 256 HG23 THR 39 3HG2 THR 39 -18.049 -3.899 -2.562 257 H GLU 40 H GLU 40 -13.077 -3.204 -1.904 258 HA GLU 40 HA GLU 40 -12.086 -1.159 -3.725 259 HB2 GLU 40 1HB GLU 40 -12.262 0.652 -2.243 260 HB3 GLU 40 2HB GLU 40 -13.825 -0.147 -2.138 261 HG2 GLU 40 1HG GLU 40 -12.710 -1.400 -0.132 262 HG3 GLU 40 2HG GLU 40 -11.628 -0.010 -0.138 263 H TYR 41 H TYR 41 -10.183 0.035 -2.332 264 HA TYR 41 HA TYR 41 -8.644 -2.031 -0.934 265 HB2 TYR 41 1HB TYR 41 -7.492 -0.346 -3.164 266 HB3 TYR 41 2HB TYR 41 -6.662 -1.603 -2.253 267 HD1 TYR 41 1HD TYR 41 -9.350 -0.984 -4.721 268 HD2 TYR 41 2HD TYR 41 -6.837 -3.881 -2.879 269 HE1 TYR 41 1HE TYR 41 -10.052 -2.647 -6.392 270 HE2 TYR 41 2HE TYR 41 -7.531 -5.552 -4.544 271 HH TYR 41 HH TYR 41 -9.462 -5.950 -6.057 272 H ARG 42 H ARG 42 -7.968 -1.244 0.936 273 HA ARG 42 HA ARG 42 -7.698 1.661 1.245 274 HB2 ARG 42 1HB ARG 42 -8.333 -0.585 3.099 275 HB3 ARG 42 2HB ARG 42 -7.510 0.821 3.761 276 HG2 ARG 42 1HG ARG 42 -9.424 2.118 2.505 277 HG3 ARG 42 2HG ARG 42 -10.259 0.570 2.663 278 HD2 ARG 42 1HD ARG 42 -8.985 2.057 4.956 279 HD3 ARG 42 2HD ARG 42 -10.691 2.172 4.527 280 HE ARG 42 HE ARG 42 -10.234 -0.504 4.818 281 HH11 ARG 42 1HH1 ARG 42 -9.806 2.306 6.827 282 HH12 ARG 42 2HH1 ARG 42 -10.060 1.446 8.310 283 HH21 ARG 42 1HH2 ARG 42 -10.568 -1.649 6.763 284 HH22 ARG 42 2HH2 ARG 42 -10.492 -0.804 8.273 285 H LEU 43 H LEU 43 -5.692 2.343 0.843 286 HA LEU 43 HA LEU 43 -3.421 0.688 1.681 287 HB2 LEU 43 1HB LEU 43 -3.434 1.400 -0.643 288 HB3 LEU 43 2HB LEU 43 -3.554 3.085 -0.143 289 HG LEU 43 HG LEU 43 -1.291 2.696 1.010 290 HD11 LEU 43 1HD1 LEU 43 -0.604 0.573 0.985 291 HD12 LEU 43 2HD1 LEU 43 -0.177 0.865 -0.701 292 HD13 LEU 43 3HD1 LEU 43 -1.727 0.128 -0.300 293 HD21 LEU 43 1HD2 LEU 43 -0.244 3.596 -0.807 294 HD22 LEU 43 2HD2 LEU 43 -1.923 3.832 -1.292 295 HD23 LEU 43 3HD2 LEU 43 -1.001 2.475 -1.939 296 H GLU 44 H GLU 44 -2.189 1.232 3.363 297 HA GLU 44 HA GLU 44 -2.595 3.888 4.566 298 HB2 GLU 44 1HB GLU 44 -1.883 1.227 5.792 299 HB3 GLU 44 2HB GLU 44 -1.683 2.744 6.658 300 HG2 GLU 44 1HG GLU 44 -4.210 3.061 5.939 301 HG3 GLU 44 2HG GLU 44 -4.157 1.300 5.902 302 H TRP 45 H TRP 45 -0.887 5.196 4.956 303 HA TRP 45 HA TRP 45 1.824 4.156 4.684 304 HB2 TRP 45 1HB TRP 45 1.243 4.832 2.410 305 HB3 TRP 45 2HB TRP 45 0.750 6.421 2.990 306 HD1 TRP 45 HD TRP 45 2.946 7.721 4.388 307 HE1 TRP 45 1HE TRP 45 5.346 7.973 3.492 308 HE3 TRP 45 3HE TRP 45 2.926 3.947 0.939 309 HZ2 TRP 45 2HZ TRP 45 7.010 6.736 1.577 310 HZ3 TRP 45 3HZ TRP 45 4.962 3.548 -0.383 311 HH2 TRP 45 HH TRP 45 6.960 4.914 -0.070 312 H GLY 46 H GLY 46 3.054 4.955 6.254 313 HA2 GLY 46 1HA GLY 46 2.602 7.698 7.180 314 HA3 GLY 46 2HA GLY 46 2.489 6.405 8.364 315 H GLY 47 H GLY 47 4.305 8.424 8.722 316 HA2 GLY 47 1HA GLY 47 6.830 8.239 7.688 317 HA3 GLY 47 2HA GLY 47 6.505 8.635 9.369 318 H VAL 48 H VAL 48 5.896 6.567 10.698 319 HA VAL 48 HA VAL 48 7.906 4.511 10.046 320 HB VAL 48 HB VAL 48 8.244 5.982 12.131 321 HG11 VAL 48 1HG1 VAL 48 5.889 5.819 12.887 322 HG12 VAL 48 2HG1 VAL 48 6.154 4.109 13.234 323 HG13 VAL 48 3HG1 VAL 48 7.053 5.341 14.121 324 HG21 VAL 48 1HG2 VAL 48 8.196 3.051 12.754 325 HG22 VAL 48 2HG2 VAL 48 9.288 3.700 11.529 326 HG23 VAL 48 3HG2 VAL 48 9.398 4.265 13.196 327 H GLU 49 H GLU 49 7.441 2.332 10.857 328 HA GLU 49 HA GLU 49 5.022 1.331 9.977 329 HB2 GLU 49 1HB GLU 49 6.652 -0.291 10.175 330 HB3 GLU 49 2HB GLU 49 7.172 0.274 11.756 331 HG2 GLU 49 1HG GLU 49 5.451 -0.826 12.857 332 HG3 GLU 49 2HG GLU 49 4.481 -0.977 11.393 333 H GLY 50 H GLY 50 5.979 2.208 13.277 334 HA2 GLY 50 1HA GLY 50 3.694 1.314 14.616 335 HA3 GLY 50 2HA GLY 50 4.729 2.629 15.155 336 H SER 51 H SER 51 4.269 4.303 12.849 337 HA SER 51 HA SER 51 1.521 5.152 13.472 338 HB2 SER 51 1HB SER 51 2.973 6.889 14.129 339 HB3 SER 51 2HB SER 51 3.991 6.696 12.704 340 HG SER 51 HG SER 51 2.268 7.512 11.452 341 H MET 52 H MET 52 0.098 4.676 11.943 342 HA MET 52 HA MET 52 0.608 5.381 9.196 343 HB2 MET 52 1HB MET 52 0.037 2.495 9.892 344 HB3 MET 52 2HB MET 52 0.168 3.163 8.271 345 HG2 MET 52 1HG MET 52 2.518 3.728 8.717 346 HG3 MET 52 2HG MET 52 2.372 2.991 10.312 347 HE1 MET 52 1HE MET 52 1.268 1.819 6.556 348 HE2 MET 52 2HE MET 52 2.830 2.635 6.621 349 HE3 MET 52 3HE MET 52 2.750 0.907 6.270 350 H GLN 53 H GLN 53 -1.269 5.641 7.998 351 HA GLN 53 HA GLN 53 -3.814 4.842 9.155 352 HB2 GLN 53 1HB GLN 53 -3.047 7.726 8.694 353 HB3 GLN 53 2HB GLN 53 -4.705 7.185 8.915 354 HG2 GLN 53 1HG GLN 53 -3.840 6.157 11.113 355 HG3 GLN 53 2HG GLN 53 -2.461 7.230 10.887 356 HE21 GLN 53 1HE2 GLN 53 -5.313 6.956 12.407 357 HE22 GLN 53 2HE2 GLN 53 -5.734 8.623 12.578 358 H ILE 54 H ILE 54 -5.636 5.834 7.639 359 HA ILE 54 HA ILE 54 -5.197 4.696 5.076 360 HB ILE 54 HB ILE 54 -7.479 6.511 5.848 361 HG12 ILE 54 1HG1 ILE 54 -7.330 4.798 7.543 362 HG13 ILE 54 2HG1 ILE 54 -8.668 4.405 6.470 363 HG21 ILE 54 1HG2 ILE 54 -8.487 4.584 4.224 364 HG22 ILE 54 2HG2 ILE 54 -7.934 6.167 3.676 365 HG23 ILE 54 3HG2 ILE 54 -6.861 4.772 3.568 366 HD11 ILE 54 1HD1 ILE 54 -6.850 2.965 5.252 367 HD12 ILE 54 2HD1 ILE 54 -6.055 3.041 6.825 368 HD13 ILE 54 3HD1 ILE 54 -7.678 2.364 6.688 369 H CYS 55 H CYS 55 -4.102 5.597 3.472 370 HA CYS 55 HA CYS 55 -3.914 8.516 3.321 371 HB2 CYS 55 1HB CYS 55 -2.216 6.255 2.395 372 HB3 CYS 55 2HB CYS 55 -2.201 7.723 1.426 373 HG CYS 55 HG CYS 55 -1.525 9.327 3.723 374 H TYR 56 H TYR 56 -4.732 5.694 1.344 375 HA TYR 56 HA TYR 56 -6.410 7.413 -0.320 376 HB2 TYR 56 1HB TYR 56 -4.480 7.360 -1.677 377 HB3 TYR 56 2HB TYR 56 -4.170 5.665 -1.320 378 HD1 TYR 56 2HD TYR 56 -5.544 3.905 -2.384 379 HD2 TYR 56 1HD TYR 56 -5.982 8.007 -3.426 380 HE1 TYR 56 2HE TYR 56 -6.740 3.252 -4.432 381 HE2 TYR 56 1HE TYR 56 -7.181 7.365 -5.475 382 HH TYR 56 HH TYR 56 -7.833 3.955 -6.228 383 H CYS 57 H CYS 57 -8.238 6.434 -1.082 384 HA CYS 57 HA CYS 57 -8.547 3.551 -0.646 385 HB2 CYS 57 1HB CYS 57 -10.427 3.731 0.676 386 HB3 CYS 57 2HB CYS 57 -9.518 5.134 1.225 387 HG CYS 57 HG CYS 57 -11.710 5.603 -1.308 388 H GLY 58 H GLY 58 -9.512 2.534 -2.295 389 HA2 GLY 58 1HA GLY 58 -11.646 3.297 -3.819 390 HA3 GLY 58 2HA GLY 58 -10.271 4.045 -4.619 391 HA PRO 59 HA PRO 59 -10.911 -0.481 -5.907 392 HB2 PRO 59 1HB PRO 59 -11.851 -0.026 -8.412 393 HB3 PRO 59 2HB PRO 59 -12.908 -0.189 -7.004 394 HG2 PRO 59 1HG PRO 59 -11.943 2.293 -8.371 395 HG3 PRO 59 2HG PRO 59 -13.563 1.909 -7.762 396 HD2 PRO 59 1HD PRO 59 -11.831 3.482 -6.399 397 HD3 PRO 59 2HD PRO 59 -13.007 2.430 -5.587 398 H GLY 60 H GLY 60 -9.204 2.276 -6.770 399 HA2 GLY 60 1HA GLY 60 -7.867 1.529 -9.114 400 HA3 GLY 60 2HA GLY 60 -7.231 2.617 -7.889 401 H LEU 61 H LEU 61 -5.615 0.874 -9.354 402 HA LEU 61 HA LEU 61 -4.832 -1.091 -7.303 403 HB2 LEU 61 1HB LEU 61 -4.405 -1.181 -10.285 404 HB3 LEU 61 2HB LEU 61 -3.756 -2.350 -9.137 405 HG LEU 61 HG LEU 61 -6.702 -1.867 -9.560 406 HD11 LEU 61 1HD1 LEU 61 -5.977 -4.391 -10.524 407 HD12 LEU 61 2HD1 LEU 61 -4.813 -3.260 -11.212 408 HD13 LEU 61 3HD1 LEU 61 -6.540 -3.003 -11.456 409 HD21 LEU 61 1HD2 LEU 61 -5.428 -4.306 -8.384 410 HD22 LEU 61 2HD2 LEU 61 -7.074 -3.701 -8.193 411 HD23 LEU 61 3HD2 LEU 61 -5.735 -2.885 -7.386 412 H SER 62 H SER 62 -3.898 1.632 -9.171 413 HA SER 62 HA SER 62 -1.173 1.445 -8.066 414 HB2 SER 62 1HB SER 62 -0.364 2.664 -10.059 415 HB3 SER 62 2HB SER 62 -1.097 1.119 -10.489 416 HG SER 62 HG SER 62 -3.089 2.630 -10.665 417 H TYR 63 H TYR 63 -0.405 3.194 -7.008 418 HA TYR 63 HA TYR 63 -1.801 5.746 -7.228 419 HB2 TYR 63 1HB TYR 63 -2.936 4.544 -5.397 420 HB3 TYR 63 2HB TYR 63 -1.390 4.339 -4.581 421 HD1 TYR 63 1HD TYR 63 -3.907 6.828 -5.644 422 HD2 TYR 63 2HD TYR 63 -0.448 6.090 -3.277 423 HE1 TYR 63 1HE TYR 63 -4.227 8.989 -4.513 424 HE2 TYR 63 2HE TYR 63 -0.760 8.249 -2.139 425 HH TYR 63 HH TYR 63 -3.333 9.858 -1.919 426 H GLU 64 H GLU 64 -0.510 7.497 -6.893 427 HA GLU 64 HA GLU 64 2.314 6.928 -6.292 428 HB2 GLU 64 1HB GLU 64 2.238 7.802 -8.465 429 HB3 GLU 64 2HB GLU 64 0.986 8.965 -8.053 430 HG2 GLU 64 1HG GLU 64 2.521 10.340 -6.885 431 HG3 GLU 64 2HG GLU 64 3.776 9.102 -6.948 432 H ILE 65 H ILE 65 3.274 7.878 -4.599 433 HA ILE 65 HA ILE 65 1.681 9.796 -3.040 434 HB ILE 65 HB ILE 65 3.807 7.830 -2.232 435 HG12 ILE 65 1HG1 ILE 65 1.119 8.322 -0.968 436 HG13 ILE 65 2HG1 ILE 65 1.292 7.285 -2.380 437 HG21 ILE 65 1HG2 ILE 65 3.062 10.383 -0.949 438 HG22 ILE 65 2HG2 ILE 65 3.201 8.980 0.110 439 HG23 ILE 65 3HG2 ILE 65 4.572 9.476 -0.882 440 HD11 ILE 65 1HD1 ILE 65 1.448 6.459 0.201 441 HD12 ILE 65 2HD1 ILE 65 2.133 5.603 -1.180 442 HD13 ILE 65 3HD1 ILE 65 3.150 6.669 -0.211 443 H LYS 66 H LYS 66 2.561 11.712 -2.324 444 HA LYS 66 HA LYS 66 5.306 12.360 -3.097 445 HB2 LYS 66 1HB LYS 66 2.846 13.867 -3.974 446 HB3 LYS 66 2HB LYS 66 4.443 14.602 -3.954 447 HG2 LYS 66 1HG LYS 66 5.158 12.620 -5.415 448 HG3 LYS 66 2HG LYS 66 3.429 12.360 -5.660 449 HD2 LYS 66 1HD LYS 66 4.502 15.105 -6.056 450 HD3 LYS 66 2HD LYS 66 4.858 13.890 -7.285 451 HE2 LYS 66 1HE LYS 66 2.504 13.463 -7.603 452 HE3 LYS 66 2HE LYS 66 2.092 14.545 -6.274 453 HZ1 LYS 66 1HZ LYS 66 3.418 16.243 -7.740 454 HZ2 LYS 66 2HZ LYS 66 1.785 15.925 -8.041 455 HZ3 LYS 66 3HZ LYS 66 2.978 15.191 -8.989 456 H GLY 67 H GLY 67 5.838 14.673 -2.263 457 HA2 GLY 67 1HA GLY 67 5.907 16.202 -0.531 458 HA3 GLY 67 2HA GLY 67 4.361 15.580 0.026 459 H LEU 68 H LEU 68 7.313 13.713 -0.466 460 HA LEU 68 HA LEU 68 7.221 12.969 2.368 461 HB2 LEU 68 1HB LEU 68 8.808 11.673 0.162 462 HB3 LEU 68 2HB LEU 68 8.503 11.036 1.777 463 HG LEU 68 HG LEU 68 6.365 11.456 -0.309 464 HD11 LEU 68 1HD1 LEU 68 8.298 9.675 -0.650 465 HD12 LEU 68 2HD1 LEU 68 6.617 9.320 -1.050 466 HD13 LEU 68 3HD1 LEU 68 7.300 8.751 0.473 467 HD21 LEU 68 1HD2 LEU 68 6.391 10.011 2.339 468 HD22 LEU 68 2HD2 LEU 68 5.068 9.964 1.173 469 HD23 LEU 68 3HD2 LEU 68 5.506 11.487 1.947 470 H SER 69 H SER 69 9.646 12.224 3.030 471 HA SER 69 HA SER 69 11.382 14.544 2.489 472 HB2 SER 69 1HB SER 69 10.949 13.094 5.110 473 HB3 SER 69 2HB SER 69 12.202 14.305 4.841 474 HG SER 69 HG SER 69 10.661 15.851 4.595 475 HA PRO 70 HA PRO 70 14.471 11.653 1.288 476 HB2 PRO 70 1HB PRO 70 16.684 13.163 1.727 477 HB3 PRO 70 2HB PRO 70 15.582 13.444 0.374 478 HG2 PRO 70 1HG PRO 70 15.745 14.855 3.010 479 HG3 PRO 70 2HG PRO 70 15.522 15.537 1.388 480 HD2 PRO 70 1HD PRO 70 13.467 15.181 3.115 481 HD3 PRO 70 2HD PRO 70 13.270 15.048 1.356 482 H ALA 71 H ALA 71 16.210 10.371 2.108 483 HA ALA 71 HA ALA 71 17.056 8.992 3.725 484 HB1 ALA 71 1HB ALA 71 17.579 11.552 5.218 485 HB2 ALA 71 2HB ALA 71 18.519 10.059 5.251 486 HB3 ALA 71 3HB ALA 71 18.502 11.058 3.798 487 H THR 72 H THR 72 14.368 8.985 3.953 488 HA THR 72 HA THR 72 13.996 8.788 6.855 489 HB THR 72 HB THR 72 11.992 10.067 4.985 490 HG1 THR 72 1HG THR 72 13.649 11.106 7.055 491 HG21 THR 72 1HG2 THR 72 11.004 8.659 6.800 492 HG22 THR 72 2HG2 THR 72 10.590 10.371 6.913 493 HG23 THR 72 3HG2 THR 72 11.822 9.688 7.975 494 H THR 73 H THR 73 13.111 6.915 7.456 495 HA THR 73 HA THR 73 12.456 4.943 5.491 496 HB THR 73 HB THR 73 11.956 4.743 8.462 497 HG1 THR 73 1HG THR 73 14.079 5.086 8.481 498 HG21 THR 73 1HG2 THR 73 12.657 2.296 7.775 499 HG22 THR 73 2HG2 THR 73 12.104 2.823 6.186 500 HG23 THR 73 3HG2 THR 73 11.000 2.859 7.561 501 H TYR 74 H TYR 74 10.468 3.952 5.099 502 HA TYR 74 HA TYR 74 8.080 5.107 6.311 503 HB2 TYR 74 1HB TYR 74 8.669 5.160 3.350 504 HB3 TYR 74 2HB TYR 74 7.052 5.370 4.015 505 HD1 TYR 74 1HD TYR 74 6.576 7.347 5.472 506 HD2 TYR 74 2HD TYR 74 10.231 6.943 3.332 507 HE1 TYR 74 1HE TYR 74 7.003 9.752 5.760 508 HE2 TYR 74 2HE TYR 74 10.668 9.348 3.614 509 HH TYR 74 HH TYR 74 8.364 11.542 4.509 510 H TYR 75 H TYR 75 6.113 3.884 5.767 511 HA TYR 75 HA TYR 75 6.617 1.157 4.818 512 HB2 TYR 75 1HB TYR 75 5.138 1.787 7.380 513 HB3 TYR 75 2HB TYR 75 5.410 0.187 6.700 514 HD1 TYR 75 1HD TYR 75 7.000 3.046 8.384 515 HD2 TYR 75 2HD TYR 75 7.525 -0.926 6.950 516 HE1 TYR 75 1HE TYR 75 9.104 2.875 9.647 517 HE2 TYR 75 2HE TYR 75 9.629 -1.108 8.210 518 HH TYR 75 HH TYR 75 10.587 0.088 10.378 519 H CYS 76 H CYS 76 4.740 0.039 4.094 520 HA CYS 76 HA CYS 76 2.254 1.541 3.908 521 HB2 CYS 76 1HB CYS 76 2.160 1.716 1.602 522 HB3 CYS 76 2HB CYS 76 3.870 2.008 1.898 523 HG CYS 76 HG CYS 76 4.105 0.447 -0.232 524 H ARG 77 H ARG 77 0.467 0.262 3.795 525 HA ARG 77 HA ARG 77 0.837 -2.606 3.304 526 HB2 ARG 77 1HB ARG 77 -0.668 -3.084 5.254 527 HB3 ARG 77 2HB ARG 77 0.918 -2.460 5.689 528 HG2 ARG 77 1HG ARG 77 -0.084 -0.216 5.956 529 HG3 ARG 77 2HG ARG 77 -1.668 -0.922 5.630 530 HD2 ARG 77 1HD ARG 77 -1.154 -2.514 7.561 531 HD3 ARG 77 2HD ARG 77 0.159 -1.409 7.964 532 HE ARG 77 HE ARG 77 -2.108 0.147 7.728 533 HH11 ARG 77 1HH1 ARG 77 -1.041 -2.519 9.697 534 HH12 ARG 77 2HH1 ARG 77 -1.991 -2.055 11.070 535 HH21 ARG 77 1HH2 ARG 77 -3.362 0.769 9.530 536 HH22 ARG 77 2HH2 ARG 77 -3.312 -0.186 10.973 537 H VAL 78 H VAL 78 -0.688 -3.441 2.025 538 HA VAL 78 HA VAL 78 -3.119 -1.842 1.555 539 HB VAL 78 HB VAL 78 -1.721 -1.959 -0.431 540 HG11 VAL 78 1HG1 VAL 78 -1.992 -4.955 -0.202 541 HG12 VAL 78 2HG1 VAL 78 -1.208 -4.078 -1.518 542 HG13 VAL 78 3HG1 VAL 78 -0.525 -4.027 0.107 543 HG21 VAL 78 1HG2 VAL 78 -4.418 -2.803 -0.264 544 HG22 VAL 78 2HG2 VAL 78 -3.605 -1.998 -1.605 545 HG23 VAL 78 3HG2 VAL 78 -3.636 -3.759 -1.524 546 H GLN 79 H GLN 79 -5.066 -2.764 1.833 547 HA GLN 79 HA GLN 79 -5.158 -5.668 2.312 548 HB2 GLN 79 1HB GLN 79 -6.694 -5.373 4.105 549 HB3 GLN 79 2HB GLN 79 -5.355 -4.272 4.401 550 HG2 GLN 79 1HG GLN 79 -6.614 -2.395 3.859 551 HG3 GLN 79 2HG GLN 79 -7.829 -3.342 3.001 552 HE21 GLN 79 1HE2 GLN 79 -9.034 -4.924 4.396 553 HE22 GLN 79 2HE2 GLN 79 -9.505 -4.380 5.967 554 H ALA 80 H ALA 80 -7.074 -6.745 1.706 555 HA ALA 80 HA ALA 80 -8.598 -5.321 -0.361 556 HB1 ALA 80 1HB ALA 80 -7.576 -7.230 -1.280 557 HB2 ALA 80 2HB ALA 80 -8.041 -8.238 0.091 558 HB3 ALA 80 3HB ALA 80 -9.266 -7.673 -1.043 559 H LEU 81 H LEU 81 -10.622 -4.736 0.042 560 HA LEU 81 HA LEU 81 -11.991 -5.874 2.366 561 HB2 LEU 81 1HB LEU 81 -12.373 -3.374 0.753 562 HB3 LEU 81 2HB LEU 81 -13.617 -3.954 1.859 563 HG LEU 81 HG LEU 81 -11.590 -3.916 3.569 564 HD11 LEU 81 1HD1 LEU 81 -10.738 -2.189 1.304 565 HD12 LEU 81 2HD1 LEU 81 -9.775 -3.200 2.382 566 HD13 LEU 81 3HD1 LEU 81 -10.402 -1.652 2.950 567 HD21 LEU 81 1HD2 LEU 81 -13.248 -1.569 2.668 568 HD22 LEU 81 2HD2 LEU 81 -12.279 -1.577 4.142 569 HD23 LEU 81 3HD2 LEU 81 -13.612 -2.717 3.955 570 H SER 82 H SER 82 -13.726 -7.154 2.196 571 HA SER 82 HA SER 82 -14.871 -7.555 -0.489 572 HB2 SER 82 1HB SER 82 -15.279 -9.844 0.066 573 HB3 SER 82 2HB SER 82 -13.617 -9.499 0.545 574 HG SER 82 HG SER 82 -14.504 -10.522 2.264 575 H VAL 83 H VAL 83 -17.129 -8.866 -0.026 576 HA VAL 83 HA VAL 83 -18.775 -6.869 1.311 577 HB VAL 83 HB VAL 83 -20.683 -8.180 0.325 578 HG11 VAL 83 1HG1 VAL 83 -19.788 -7.617 -2.137 579 HG12 VAL 83 2HG1 VAL 83 -20.302 -6.376 -0.991 580 HG13 VAL 83 3HG1 VAL 83 -18.587 -6.743 -1.186 581 HG21 VAL 83 1HG2 VAL 83 -19.338 -10.309 0.162 582 HG22 VAL 83 2HG2 VAL 83 -20.285 -9.893 -1.266 583 HG23 VAL 83 3HG2 VAL 83 -18.546 -9.603 -1.247 584 H VAL 84 H VAL 84 -17.326 -9.777 2.092 585 HA VAL 84 HA VAL 84 -19.408 -10.483 4.046 586 HB VAL 84 HB VAL 84 -18.366 -12.198 2.378 587 HG11 VAL 84 1HG1 VAL 84 -16.025 -11.420 3.337 588 HG12 VAL 84 2HG1 VAL 84 -16.371 -12.673 4.528 589 HG13 VAL 84 3HG1 VAL 84 -16.307 -13.079 2.813 590 HG21 VAL 84 1HG2 VAL 84 -18.551 -12.871 5.312 591 HG22 VAL 84 2HG2 VAL 84 -19.931 -12.701 4.228 592 HG23 VAL 84 3HG2 VAL 84 -18.751 -13.983 3.958 593 H GLY 85 H GLY 85 -16.327 -9.058 3.739 594 HA2 GLY 85 1HA GLY 85 -16.018 -8.029 6.194 595 HA3 GLY 85 2HA GLY 85 -15.475 -9.681 6.445 596 H ALA 86 H ALA 86 -14.034 -7.079 6.561 597 HA ALA 86 HA ALA 86 -12.301 -6.852 4.341 598 HB1 ALA 86 1HB ALA 86 -10.919 -5.922 6.594 599 HB2 ALA 86 2HB ALA 86 -11.857 -4.975 5.438 600 HB3 ALA 86 3HB ALA 86 -12.625 -5.594 6.900 601 H GLY 87 H GLY 87 -10.475 -7.896 3.801 602 HA2 GLY 87 1HA GLY 87 -9.750 -10.255 5.309 603 HA3 GLY 87 2HA GLY 87 -9.069 -9.746 3.770 604 HA PRO 88 HA PRO 88 -6.056 -8.990 7.307 605 HB2 PRO 88 1HB PRO 88 -4.108 -10.654 6.410 606 HB3 PRO 88 2HB PRO 88 -5.404 -11.185 7.488 607 HG2 PRO 88 1HG PRO 88 -5.162 -11.495 4.520 608 HG3 PRO 88 2HG PRO 88 -5.704 -12.675 5.727 609 HD2 PRO 88 1HD PRO 88 -7.431 -11.267 4.189 610 HD3 PRO 88 2HD PRO 88 -7.821 -11.770 5.847 611 H PHE 89 H PHE 89 -3.901 -8.044 7.108 612 HA PHE 89 HA PHE 89 -3.685 -6.471 4.676 613 HB2 PHE 89 1HB PHE 89 -2.545 -6.304 7.429 614 HB3 PHE 89 2HB PHE 89 -1.671 -5.518 6.119 615 HD1 PHE 89 2HD PHE 89 -2.643 -3.632 4.930 616 HD2 PHE 89 1HD PHE 89 -4.670 -5.481 8.183 617 HE1 PHE 89 2HE PHE 89 -4.145 -1.690 5.093 618 HE2 PHE 89 1HE PHE 89 -6.175 -3.543 8.352 619 HZ PHE 89 HZ PHE 89 -5.914 -1.644 6.807 620 H SER 90 H SER 90 -1.457 -6.077 3.778 621 HA SER 90 HA SER 90 -0.202 -8.662 3.292 622 HB2 SER 90 1HB SER 90 0.931 -7.534 1.431 623 HB3 SER 90 2HB SER 90 -0.808 -7.248 1.363 624 HG SER 90 HG SER 90 1.030 -5.446 2.551 625 H GLU 91 H GLU 91 2.216 -8.704 3.091 626 HA GLU 91 HA GLU 91 3.418 -8.117 5.534 627 HB2 GLU 91 1HB GLU 91 4.727 -8.604 2.853 628 HB3 GLU 91 2HB GLU 91 5.558 -8.647 4.401 629 HG2 GLU 91 1HG GLU 91 4.397 -10.576 5.088 630 HG3 GLU 91 2HG GLU 91 3.225 -10.428 3.780 631 H VAL 92 H VAL 92 3.861 -6.194 6.367 632 HA VAL 92 HA VAL 92 3.794 -3.750 5.139 633 HB VAL 92 HB VAL 92 5.541 -4.550 7.470 634 HG11 VAL 92 1HG1 VAL 92 4.611 -1.799 7.396 635 HG12 VAL 92 2HG1 VAL 92 6.231 -2.439 7.681 636 HG13 VAL 92 3HG1 VAL 92 5.656 -2.195 6.031 637 HG21 VAL 92 1HG2 VAL 92 3.764 -3.992 8.879 638 HG22 VAL 92 2HG2 VAL 92 2.904 -3.124 7.608 639 HG23 VAL 92 3HG2 VAL 92 2.996 -4.884 7.566 640 H VAL 93 H VAL 93 4.903 -2.993 3.470 641 HA VAL 93 HA VAL 93 7.590 -3.985 2.922 642 HB VAL 93 HB VAL 93 5.827 -2.160 1.282 643 HG11 VAL 93 1HG1 VAL 93 7.671 -3.323 -0.398 644 HG12 VAL 93 2HG1 VAL 93 7.728 -1.670 0.217 645 HG13 VAL 93 3HG1 VAL 93 8.617 -2.951 1.043 646 HG21 VAL 93 1HG2 VAL 93 4.872 -4.376 1.465 647 HG22 VAL 93 2HG2 VAL 93 5.525 -4.141 -0.156 648 HG23 VAL 93 3HG2 VAL 93 6.413 -5.107 1.021 649 H ALA 94 H ALA 94 9.176 -2.972 3.974 650 HA ALA 94 HA ALA 94 8.968 -0.177 4.694 651 HB1 ALA 94 1HB ALA 94 11.151 -2.207 5.138 652 HB2 ALA 94 2HB ALA 94 11.190 -0.549 5.739 653 HB3 ALA 94 3HB ALA 94 9.946 -1.663 6.305 654 H CYS 95 H CYS 95 10.301 1.484 3.968 655 HA CYS 95 HA CYS 95 12.266 1.012 1.913 656 HB2 CYS 95 1HB CYS 95 11.200 2.250 0.152 657 HB3 CYS 95 2HB CYS 95 10.089 0.989 0.675 658 HG CYS 95 HG CYS 95 9.880 4.316 1.451 659 H VAL 96 H VAL 96 13.675 2.722 1.651 660 HA VAL 96 HA VAL 96 13.170 5.080 3.348 661 HB VAL 96 HB VAL 96 15.831 3.729 2.867 662 HG11 VAL 96 1HG1 VAL 96 16.873 5.433 3.947 663 HG12 VAL 96 2HG1 VAL 96 15.526 6.348 3.266 664 HG13 VAL 96 3HG1 VAL 96 15.469 5.809 4.945 665 HG21 VAL 96 1HG2 VAL 96 15.025 2.343 4.455 666 HG22 VAL 96 2HG2 VAL 96 15.458 3.664 5.540 667 HG23 VAL 96 3HG2 VAL 96 13.795 3.490 4.983 668 H THR 97 H THR 97 13.236 6.971 2.334 669 HA THR 97 HA THR 97 13.791 7.132 -0.457 670 HB THR 97 HB THR 97 13.451 9.598 -0.137 671 HG1 THR 97 1HG THR 97 14.188 9.549 2.118 672 HG21 THR 97 1HG2 THR 97 11.571 7.461 0.200 673 HG22 THR 97 2HG2 THR 97 11.338 9.035 -0.562 674 HG23 THR 97 3HG2 THR 97 11.068 8.844 1.170 675 HA PRO 98 HA PRO 98 18.080 8.091 -0.464 676 HB2 PRO 98 1HB PRO 98 18.228 9.614 -2.706 677 HB3 PRO 98 2HB PRO 98 17.988 7.864 -2.748 678 HG2 PRO 98 1HG PRO 98 15.971 10.059 -3.016 679 HG3 PRO 98 2HG PRO 98 16.121 8.558 -3.948 680 HD2 PRO 98 1HD PRO 98 14.332 8.850 -1.936 681 HD3 PRO 98 2HD PRO 98 15.096 7.294 -2.316 682 HA PRO 99 HA PRO 99 18.614 11.999 1.511 683 HB2 PRO 99 1HB PRO 99 21.291 12.298 1.173 684 HB3 PRO 99 2HB PRO 99 20.590 11.153 2.323 685 HG2 PRO 99 1HG PRO 99 21.662 10.658 -0.428 686 HG3 PRO 99 2HG PRO 99 21.888 9.704 1.050 687 HD2 PRO 99 1HD PRO 99 20.107 9.016 -0.870 688 HD3 PRO 99 2HD PRO 99 19.834 8.675 0.851 689 H SER 100 H SER 100 18.366 14.059 0.892 690 HA SER 100 HA SER 100 18.942 14.743 -1.898 691 HB2 SER 100 1HB SER 100 16.686 15.227 -1.351 692 HB3 SER 100 2HB SER 100 17.135 15.962 0.187 693 HG SER 100 HG SER 100 17.439 16.986 -2.423 694 H SER 101 H SER 101 21.272 14.800 -1.206 695 HA SER 101 HA SER 101 22.027 17.183 0.294 696 HB2 SER 101 1HB SER 101 23.154 14.941 0.643 697 HB3 SER 101 2HB SER 101 23.870 15.138 -0.957 698 HG SER 101 HG SER 101 25.310 15.925 0.551 699 H GLY 102 H GLY 102 21.331 18.765 -1.220 700 HA2 GLY 102 1HA GLY 102 22.676 20.329 -2.620 701 HA3 GLY 102 2HA GLY 102 23.046 18.933 -3.622 702 HA PRO 103 HA PRO 103 19.507 21.094 -5.623 703 HB2 PRO 103 1HB PRO 103 20.417 20.702 -8.150 704 HB3 PRO 103 2HB PRO 103 20.930 22.063 -7.145 705 HG2 PRO 103 1HG PRO 103 22.329 19.472 -7.683 706 HG3 PRO 103 2HG PRO 103 22.997 21.113 -7.628 707 HD2 PRO 103 1HD PRO 103 23.228 19.377 -5.563 708 HD3 PRO 103 2HD PRO 103 23.096 21.131 -5.325 709 H SER 104 H SER 104 18.223 20.222 -7.619 710 HA SER 104 HA SER 104 18.257 17.352 -7.929 711 HB2 SER 104 1HB SER 104 17.006 17.431 -5.881 712 HB3 SER 104 2HB SER 104 15.992 18.742 -6.486 713 HG SER 104 HG SER 104 15.651 16.100 -6.749 714 H SER 105 H SER 105 17.005 16.626 -9.675 715 HA SER 105 HA SER 105 16.183 18.772 -11.501 716 HB2 SER 105 1HB SER 105 16.209 16.691 -13.138 717 HB3 SER 105 2HB SER 105 17.706 17.510 -12.693 718 HG SER 105 HG SER 105 16.782 15.384 -11.115 719 H GLY 106 H GLY 106 14.135 18.969 -12.218 720 HA2 GLY 106 1HA GLY 106 12.194 17.130 -12.638 721 HA3 GLY 106 2HA GLY 106 12.094 17.401 -10.905 Start of MODEL 2 1 H1 GLY 1 H GLY 1 -10.370 -20.445 13.220 2 HA2 GLY 1 1HA GLY 1 -11.609 -22.233 13.991 3 HA3 GLY 1 2HA GLY 1 -13.012 -21.175 14.042 4 H SER 2 H SER 2 -14.482 -22.529 13.109 5 HA SER 2 HA SER 2 -13.933 -23.314 10.322 6 HB2 SER 2 1HB SER 2 -15.379 -24.786 12.514 7 HB3 SER 2 2HB SER 2 -15.694 -25.144 10.816 8 HG SER 2 HG SER 2 -13.961 -26.366 12.006 9 H SER 3 H SER 3 -16.418 -22.322 12.639 10 HA SER 3 HA SER 3 -18.520 -22.041 10.786 11 HB2 SER 3 1HB SER 3 -18.886 -22.142 13.219 12 HB3 SER 3 2HB SER 3 -18.093 -20.577 13.403 13 HG SER 3 HG SER 3 -20.265 -20.816 11.644 14 H GLY 4 H GLY 4 -18.492 -20.754 9.066 15 HA2 GLY 4 1HA GLY 4 -18.630 -18.649 8.029 16 HA3 GLY 4 2HA GLY 4 -17.840 -17.935 9.427 17 H SER 5 H SER 5 -17.200 -20.123 6.699 18 HA SER 5 HA SER 5 -14.386 -19.310 6.752 19 HB2 SER 5 1HB SER 5 -13.995 -21.193 5.238 20 HB3 SER 5 2HB SER 5 -14.881 -21.731 6.665 21 HG SER 5 HG SER 5 -16.776 -21.708 5.440 22 H SER 6 H SER 6 -15.653 -17.188 5.995 23 HA SER 6 HA SER 6 -15.652 -17.175 3.049 24 HB2 SER 6 1HB SER 6 -17.110 -15.207 3.179 25 HB3 SER 6 2HB SER 6 -17.822 -16.567 4.046 26 HG SER 6 HG SER 6 -18.001 -15.012 5.506 27 H GLY 7 H GLY 7 -15.202 -14.792 2.247 28 HA2 GLY 7 1HA GLY 7 -13.871 -12.834 2.456 29 HA3 GLY 7 2HA GLY 7 -13.023 -13.585 3.799 30 HA PRO 8 HA PRO 8 -10.913 -14.204 -0.487 31 HB2 PRO 8 1HB PRO 8 -9.350 -11.990 -0.628 32 HB3 PRO 8 2HB PRO 8 -10.971 -12.069 -1.329 33 HG2 PRO 8 1HG PRO 8 -10.089 -10.878 1.272 34 HG3 PRO 8 2HG PRO 8 -11.225 -10.232 0.075 35 HD2 PRO 8 1HD PRO 8 -12.043 -11.464 2.343 36 HD3 PRO 8 2HD PRO 8 -12.961 -11.549 0.826 37 H ASP 9 H ASP 9 -8.400 -14.067 -0.799 38 HA ASP 9 HA ASP 9 -7.230 -15.164 1.635 39 HB2 ASP 9 1HB ASP 9 -7.098 -16.174 -0.780 40 HB3 ASP 9 2HB ASP 9 -5.785 -15.018 -0.986 41 H GLN 10 H GLN 10 -5.001 -14.578 2.225 42 HA GLN 10 HA GLN 10 -4.667 -11.968 2.905 43 HB2 GLN 10 1HB GLN 10 -3.270 -13.947 3.637 44 HB3 GLN 10 2HB GLN 10 -2.348 -13.748 2.152 45 HG2 GLN 10 1HG GLN 10 -1.986 -11.333 2.945 46 HG3 GLN 10 2HG GLN 10 -2.514 -11.927 4.519 47 HE21 GLN 10 1HE2 GLN 10 -0.024 -10.876 4.228 48 HE22 GLN 10 2HE2 GLN 10 1.165 -12.123 4.362 49 H CYS 11 H CYS 11 -3.416 -10.215 2.118 50 HA CYS 11 HA CYS 11 -3.311 -10.128 -0.810 51 HB2 CYS 11 1HB CYS 11 -3.577 -8.040 1.326 52 HB3 CYS 11 2HB CYS 11 -2.981 -7.590 -0.267 53 HG CYS 11 HG CYS 11 -5.940 -9.247 0.094 54 H LYS 12 H LYS 12 -1.464 -9.771 -1.923 55 HA LYS 12 HA LYS 12 1.025 -10.177 -0.561 56 HB2 LYS 12 1HB LYS 12 0.285 -9.690 -3.440 57 HB3 LYS 12 2HB LYS 12 1.960 -9.801 -2.919 58 HG2 LYS 12 1HG LYS 12 -0.063 -11.963 -2.398 59 HG3 LYS 12 2HG LYS 12 0.949 -11.909 -3.844 60 HD2 LYS 12 1HD LYS 12 2.937 -11.784 -2.268 61 HD3 LYS 12 2HD LYS 12 1.811 -12.205 -0.974 62 HE2 LYS 12 1HE LYS 12 1.852 -13.889 -3.428 63 HE3 LYS 12 2HE LYS 12 3.178 -14.051 -2.279 64 HZ1 LYS 12 1HZ LYS 12 1.884 -15.149 -0.862 65 HZ2 LYS 12 2HZ LYS 12 0.768 -15.304 -2.124 66 HZ3 LYS 12 3HZ LYS 12 0.613 -14.042 -1.008 67 HA PRO 13 HA PRO 13 2.322 -6.032 0.079 68 HB2 PRO 13 1HB PRO 13 5.006 -6.274 -0.249 69 HB3 PRO 13 2HB PRO 13 4.150 -6.902 1.165 70 HG2 PRO 13 1HG PRO 13 5.079 -8.351 -1.283 71 HG3 PRO 13 2HG PRO 13 5.176 -8.849 0.416 72 HD2 PRO 13 1HD PRO 13 3.274 -9.783 -1.270 73 HD3 PRO 13 2HD PRO 13 2.982 -9.551 0.466 74 HA PRO 14 HA PRO 14 2.480 -4.226 -3.974 75 HB2 PRO 14 1HB PRO 14 2.774 -1.647 -3.177 76 HB3 PRO 14 2HB PRO 14 1.237 -2.513 -3.082 77 HG2 PRO 14 1HG PRO 14 3.252 -1.992 -0.932 78 HG3 PRO 14 2HG PRO 14 1.484 -1.881 -0.857 79 HD2 PRO 14 1HD PRO 14 2.852 -4.012 0.103 80 HD3 PRO 14 2HD PRO 14 1.227 -4.157 -0.598 81 H GLN 15 H GLN 15 3.939 -2.904 -5.280 82 HA GLN 15 HA GLN 15 6.723 -3.231 -4.411 83 HB2 GLN 15 1HB GLN 15 5.659 -4.184 -6.643 84 HB3 GLN 15 2HB GLN 15 6.004 -2.563 -7.229 85 HG2 GLN 15 1HG GLN 15 8.271 -2.844 -7.099 86 HG3 GLN 15 2HG GLN 15 8.157 -4.070 -5.837 87 HE21 GLN 15 1HE2 GLN 15 9.511 -3.963 -8.515 88 HE22 GLN 15 2HE2 GLN 15 8.998 -5.404 -9.317 89 H VAL 16 H VAL 16 7.518 -1.446 -3.509 90 HA VAL 16 HA VAL 16 6.564 1.179 -4.229 91 HB VAL 16 HB VAL 16 8.450 1.898 -2.629 92 HG11 VAL 16 1HG1 VAL 16 6.737 2.093 -1.232 93 HG12 VAL 16 2HG1 VAL 16 5.823 0.945 -2.212 94 HG13 VAL 16 3HG1 VAL 16 6.809 0.369 -0.867 95 HG21 VAL 16 1HG2 VAL 16 9.592 0.348 -1.396 96 HG22 VAL 16 2HG2 VAL 16 8.338 -0.880 -1.570 97 HG23 VAL 16 3HG2 VAL 16 9.429 -0.537 -2.913 98 H THR 17 H THR 17 7.500 2.624 -5.548 99 HA THR 17 HA THR 17 10.191 2.030 -6.583 100 HB THR 17 HB THR 17 7.807 2.939 -8.205 101 HG1 THR 17 1HG THR 17 8.267 0.938 -9.313 102 HG21 THR 17 1HG2 THR 17 9.504 4.091 -9.249 103 HG22 THR 17 2HG2 THR 17 9.611 2.538 -10.081 104 HG23 THR 17 3HG2 THR 17 10.735 2.919 -8.776 105 H CYS 18 H CYS 18 11.185 3.588 -5.326 106 HA CYS 18 HA CYS 18 10.297 6.168 -4.825 107 HB2 CYS 18 1HB CYS 18 12.683 6.715 -4.395 108 HB3 CYS 18 2HB CYS 18 12.169 5.225 -3.613 109 HG CYS 18 HG CYS 18 14.529 5.713 -5.917 110 H ARG 19 H ARG 19 9.958 7.860 -6.094 111 HA ARG 19 HA ARG 19 11.106 7.861 -8.788 112 HB2 ARG 19 1HB ARG 19 8.843 9.452 -7.573 113 HB3 ARG 19 2HB ARG 19 9.426 9.664 -9.219 114 HG2 ARG 19 1HG ARG 19 8.540 6.972 -8.278 115 HG3 ARG 19 2HG ARG 19 7.354 8.182 -8.775 116 HD2 ARG 19 1HD ARG 19 7.752 6.999 -10.733 117 HD3 ARG 19 2HD ARG 19 8.804 8.405 -10.895 118 HE ARG 19 HE ARG 19 10.249 6.330 -9.687 119 HH11 ARG 19 1HH1 ARG 19 8.810 7.150 -12.749 120 HH12 ARG 19 2HH1 ARG 19 9.938 6.219 -13.676 121 HH21 ARG 19 1HH2 ARG 19 11.742 5.100 -10.897 122 HH22 ARG 19 2HH2 ARG 19 11.606 5.053 -12.622 123 H SER 20 H SER 20 11.336 9.450 -5.752 124 HA SER 20 HA SER 20 13.603 10.953 -6.541 125 HB2 SER 20 1HB SER 20 11.663 12.300 -7.528 126 HB3 SER 20 2HB SER 20 11.215 12.671 -5.863 127 HG SER 20 HG SER 20 12.828 14.019 -5.737 128 H ALA 21 H ALA 21 13.942 12.780 -4.695 129 HA ALA 21 HA ALA 21 14.268 11.318 -2.294 130 HB1 ALA 21 1HB ALA 21 14.504 14.053 -1.694 131 HB2 ALA 21 2HB ALA 21 15.798 12.903 -2.032 132 HB3 ALA 21 3HB ALA 21 15.095 13.851 -3.343 133 H THR 22 H THR 22 11.765 13.412 -3.481 134 HA THR 22 HA THR 22 10.349 13.119 -0.912 135 HB THR 22 HB THR 22 9.445 15.265 -1.041 136 HG1 THR 22 1HG THR 22 9.370 16.467 -2.932 137 HG21 THR 22 1HG2 THR 22 11.279 16.643 -0.914 138 HG22 THR 22 2HG2 THR 22 12.030 15.955 -2.354 139 HG23 THR 22 3HG2 THR 22 12.067 15.069 -0.831 140 H CYS 23 H CYS 23 10.403 11.730 -3.698 141 HA CYS 23 HA CYS 23 7.477 11.708 -4.033 142 HB2 CYS 23 1HB CYS 23 9.551 11.356 -6.208 143 HB3 CYS 23 2HB CYS 23 7.808 11.265 -6.425 144 HG CYS 23 HG CYS 23 9.714 14.018 -5.809 145 H ALA 24 H ALA 24 6.523 9.703 -4.577 146 HA ALA 24 HA ALA 24 8.130 7.315 -4.691 147 HB1 ALA 24 1HB ALA 24 7.323 6.272 -2.691 148 HB2 ALA 24 2HB ALA 24 8.041 7.824 -2.257 149 HB3 ALA 24 3HB ALA 24 6.287 7.654 -2.332 150 H GLN 25 H GLN 25 6.844 5.386 -5.078 151 HA GLN 25 HA GLN 25 4.048 5.858 -5.791 152 HB2 GLN 25 1HB GLN 25 5.576 6.218 -7.799 153 HB3 GLN 25 2HB GLN 25 5.926 4.497 -7.716 154 HG2 GLN 25 1HG GLN 25 3.429 4.122 -7.880 155 HG3 GLN 25 2HG GLN 25 3.302 5.831 -8.296 156 HE21 GLN 25 1HE2 GLN 25 2.895 3.193 -9.764 157 HE22 GLN 25 2HE2 GLN 25 3.752 3.414 -11.247 158 H VAL 26 H VAL 26 2.738 4.093 -5.569 159 HA VAL 26 HA VAL 26 4.036 1.596 -4.689 160 HB VAL 26 HB VAL 26 1.310 2.453 -3.756 161 HG11 VAL 26 1HG1 VAL 26 3.369 0.520 -2.703 162 HG12 VAL 26 2HG1 VAL 26 1.857 0.922 -1.885 163 HG13 VAL 26 3HG1 VAL 26 1.826 0.120 -3.457 164 HG21 VAL 26 1HG2 VAL 26 2.274 3.397 -1.767 165 HG22 VAL 26 2HG2 VAL 26 3.901 2.979 -2.304 166 HG23 VAL 26 3HG2 VAL 26 2.976 4.205 -3.170 167 H ASN 27 H ASN 27 3.117 -0.354 -5.334 168 HA ASN 27 HA ASN 27 0.846 -0.248 -7.176 169 HB2 ASN 27 1HB ASN 27 3.584 -1.333 -7.825 170 HB3 ASN 27 2HB ASN 27 2.143 -1.848 -8.697 171 HD21 ASN 27 1HD2 ASN 27 4.673 0.189 -8.807 172 HD22 ASN 27 2HD2 ASN 27 4.020 1.434 -9.811 173 H TRP 28 H TRP 28 -0.595 -1.683 -6.512 174 HA TRP 28 HA TRP 28 0.369 -4.180 -5.276 175 HB2 TRP 28 1HB TRP 28 -1.647 -4.173 -3.872 176 HB3 TRP 28 2HB TRP 28 -0.681 -2.724 -3.607 177 HD1 TRP 28 HD TRP 28 -4.025 -3.870 -5.064 178 HE1 TRP 28 1HE TRP 28 -5.532 -1.808 -5.385 179 HE3 TRP 28 3HE TRP 28 -0.620 -0.202 -4.018 180 HZ2 TRP 28 2HZ TRP 28 -5.308 1.000 -5.218 181 HZ3 TRP 28 3HZ TRP 28 -1.347 2.147 -4.121 182 HH2 TRP 28 HH TRP 28 -3.643 2.732 -4.710 183 H GLU 29 H GLU 29 -1.718 -5.750 -5.190 184 HA GLU 29 HA GLU 29 -3.236 -5.662 -7.657 185 HB2 GLU 29 1HB GLU 29 -1.040 -7.637 -7.152 186 HB3 GLU 29 2HB GLU 29 -2.445 -8.113 -8.094 187 HG2 GLU 29 1HG GLU 29 -0.711 -5.742 -8.735 188 HG3 GLU 29 2HG GLU 29 -0.508 -7.343 -9.445 189 H VAL 30 H VAL 30 -4.641 -7.711 -7.818 190 HA VAL 30 HA VAL 30 -5.794 -8.160 -5.166 191 HB VAL 30 HB VAL 30 -7.063 -9.126 -7.701 192 HG11 VAL 30 1HG1 VAL 30 -8.103 -9.765 -5.621 193 HG12 VAL 30 2HG1 VAL 30 -8.125 -8.086 -5.076 194 HG13 VAL 30 3HG1 VAL 30 -9.124 -8.585 -6.442 195 HG21 VAL 30 1HG2 VAL 30 -6.609 -6.936 -8.376 196 HG22 VAL 30 2HG2 VAL 30 -8.241 -6.846 -7.715 197 HG23 VAL 30 3HG2 VAL 30 -6.871 -6.284 -6.758 198 HA PRO 31 HA PRO 31 -4.146 -12.257 -4.974 199 HB2 PRO 31 1HB PRO 31 -5.738 -13.193 -2.984 200 HB3 PRO 31 2HB PRO 31 -4.399 -12.076 -2.697 201 HG2 PRO 31 1HG PRO 31 -7.326 -11.501 -2.935 202 HG3 PRO 31 2HG PRO 31 -6.150 -10.854 -1.778 203 HD2 PRO 31 1HD PRO 31 -6.969 -9.465 -3.953 204 HD3 PRO 31 2HD PRO 31 -5.334 -9.308 -3.281 205 H LEU 32 H LEU 32 -5.394 -14.547 -4.458 206 HA LEU 32 HA LEU 32 -6.979 -14.977 -6.831 207 HB2 LEU 32 1HB LEU 32 -5.146 -16.496 -5.762 208 HB3 LEU 32 2HB LEU 32 -6.479 -17.076 -4.766 209 HG LEU 32 HG LEU 32 -6.654 -17.105 -7.761 210 HD11 LEU 32 1HD1 LEU 32 -5.174 -18.971 -5.964 211 HD12 LEU 32 2HD1 LEU 32 -4.743 -18.373 -7.564 212 HD13 LEU 32 3HD1 LEU 32 -5.999 -19.598 -7.391 213 HD21 LEU 32 1HD2 LEU 32 -7.865 -19.053 -5.842 214 HD22 LEU 32 2HD2 LEU 32 -8.404 -18.587 -7.455 215 HD23 LEU 32 3HD2 LEU 32 -8.613 -17.476 -6.101 216 H SER 33 H SER 33 -9.058 -14.410 -6.750 217 HA SER 33 HA SER 33 -10.640 -15.317 -4.434 218 HB2 SER 33 1HB SER 33 -12.032 -13.342 -4.615 219 HB3 SER 33 2HB SER 33 -10.347 -12.837 -4.479 220 HG SER 33 HG SER 33 -10.348 -12.205 -6.538 221 H ASN 34 H ASN 34 -11.539 -17.129 -5.274 222 HA ASN 34 HA ASN 34 -12.763 -17.021 -7.925 223 HB2 ASN 34 1HB ASN 34 -13.092 -19.488 -7.566 224 HB3 ASN 34 2HB ASN 34 -11.409 -18.967 -7.555 225 HD21 ASN 34 1HD2 ASN 34 -10.278 -18.922 -5.598 226 HD22 ASN 34 2HD2 ASN 34 -10.819 -19.812 -4.219 227 H GLY 35 H GLY 35 -14.131 -15.396 -6.300 228 HA2 GLY 35 1HA GLY 35 -16.755 -16.312 -6.430 229 HA3 GLY 35 2HA GLY 35 -16.197 -16.613 -4.791 230 H THR 36 H THR 36 -15.095 -14.652 -3.752 231 HA THR 36 HA THR 36 -16.956 -12.447 -3.942 232 HB THR 36 HB THR 36 -15.465 -11.512 -2.057 233 HG1 THR 36 1HG THR 36 -13.689 -12.955 -2.506 234 HG21 THR 36 1HG2 THR 36 -17.676 -13.037 -2.012 235 HG22 THR 36 2HG2 THR 36 -16.862 -12.478 -0.551 236 HG23 THR 36 3HG2 THR 36 -16.565 -14.108 -1.158 237 H ASP 37 H ASP 37 -16.490 -10.350 -4.525 238 HA ASP 37 HA ASP 37 -13.928 -9.964 -5.928 239 HB2 ASP 37 1HB ASP 37 -15.903 -9.894 -7.400 240 HB3 ASP 37 2HB ASP 37 -16.582 -8.597 -6.421 241 H VAL 38 H VAL 38 -12.577 -8.468 -5.183 242 HA VAL 38 HA VAL 38 -13.023 -7.075 -2.792 243 HB VAL 38 HB VAL 38 -10.998 -6.383 -4.925 244 HG11 VAL 38 1HG1 VAL 38 -10.746 -4.646 -3.491 245 HG12 VAL 38 2HG1 VAL 38 -11.452 -5.522 -2.131 246 HG13 VAL 38 3HG1 VAL 38 -9.782 -5.829 -2.608 247 HG21 VAL 38 1HG2 VAL 38 -9.493 -7.804 -3.411 248 HG22 VAL 38 2HG2 VAL 38 -10.995 -8.471 -2.767 249 HG23 VAL 38 3HG2 VAL 38 -10.615 -8.648 -4.480 250 H THR 39 H THR 39 -14.292 -5.391 -2.430 251 HA THR 39 HA THR 39 -15.420 -3.826 -4.526 252 HB THR 39 HB THR 39 -16.297 -2.408 -2.611 253 HG1 THR 39 1HG THR 39 -15.345 -4.509 -0.962 254 HG21 THR 39 1HG2 THR 39 -17.833 -4.192 -1.802 255 HG22 THR 39 2HG2 THR 39 -16.818 -5.381 -2.616 256 HG23 THR 39 3HG2 THR 39 -17.665 -4.153 -3.556 257 H GLU 40 H GLU 40 -13.278 -2.922 -1.815 258 HA GLU 40 HA GLU 40 -12.026 -0.929 -3.567 259 HB2 GLU 40 1HB GLU 40 -12.300 0.840 -2.100 260 HB3 GLU 40 2HB GLU 40 -13.836 0.001 -1.940 261 HG2 GLU 40 1HG GLU 40 -12.568 -1.229 0.015 262 HG3 GLU 40 2HG GLU 40 -11.592 0.238 -0.014 263 H TYR 41 H TYR 41 -10.073 0.077 -2.268 264 HA TYR 41 HA TYR 41 -8.701 -2.063 -0.791 265 HB2 TYR 41 1HB TYR 41 -7.474 -0.396 -2.998 266 HB3 TYR 41 2HB TYR 41 -6.630 -1.594 -2.022 267 HD1 TYR 41 1HD TYR 41 -9.233 -1.129 -4.603 268 HD2 TYR 41 2HD TYR 41 -6.771 -3.914 -2.533 269 HE1 TYR 41 1HE TYR 41 -9.850 -2.871 -6.226 270 HE2 TYR 41 2HE TYR 41 -7.379 -5.663 -4.150 271 HH TYR 41 HH TYR 41 -9.449 -4.951 -6.937 272 H ARG 42 H ARG 42 -8.150 -1.333 1.142 273 HA ARG 42 HA ARG 42 -7.821 1.535 1.571 274 HB2 ARG 42 1HB ARG 42 -8.389 -0.816 3.307 275 HB3 ARG 42 2HB ARG 42 -7.555 0.551 4.034 276 HG2 ARG 42 1HG ARG 42 -9.380 2.028 3.351 277 HG3 ARG 42 2HG ARG 42 -10.218 0.652 2.633 278 HD2 ARG 42 1HD ARG 42 -10.390 -0.414 4.802 279 HD3 ARG 42 2HD ARG 42 -9.459 0.888 5.541 280 HE ARG 42 HE ARG 42 -11.701 1.996 4.277 281 HH11 ARG 42 1HH1 ARG 42 -10.906 -0.043 6.985 282 HH12 ARG 42 2HH1 ARG 42 -12.289 0.431 7.915 283 HH21 ARG 42 1HH2 ARG 42 -13.524 2.628 5.491 284 HH22 ARG 42 2HH2 ARG 42 -13.778 1.951 7.064 285 H LEU 43 H LEU 43 -5.835 2.261 1.131 286 HA LEU 43 HA LEU 43 -3.521 0.630 1.910 287 HB2 LEU 43 1HB LEU 43 -3.513 1.269 -0.402 288 HB3 LEU 43 2HB LEU 43 -3.788 2.957 0.017 289 HG LEU 43 HG LEU 43 -1.491 2.729 1.242 290 HD11 LEU 43 1HD1 LEU 43 -0.243 1.114 -0.593 291 HD12 LEU 43 2HD1 LEU 43 -1.713 0.218 -0.216 292 HD13 LEU 43 3HD1 LEU 43 -0.611 0.686 1.078 293 HD21 LEU 43 1HD2 LEU 43 -0.439 3.672 -0.622 294 HD22 LEU 43 2HD2 LEU 43 -2.143 4.074 -0.831 295 HD23 LEU 43 3HD2 LEU 43 -1.427 2.754 -1.758 296 H GLU 44 H GLU 44 -2.467 1.142 3.702 297 HA GLU 44 HA GLU 44 -2.812 3.835 4.823 298 HB2 GLU 44 1HB GLU 44 -1.890 1.284 6.161 299 HB3 GLU 44 2HB GLU 44 -2.091 2.837 6.958 300 HG2 GLU 44 1HG GLU 44 -4.522 2.713 6.154 301 HG3 GLU 44 2HG GLU 44 -4.189 1.007 5.864 302 H TRP 45 H TRP 45 -1.154 5.207 4.915 303 HA TRP 45 HA TRP 45 1.581 4.168 4.771 304 HB2 TRP 45 1HB TRP 45 1.072 4.726 2.482 305 HB3 TRP 45 2HB TRP 45 0.419 6.291 2.960 306 HD1 TRP 45 HD TRP 45 2.499 7.770 4.446 307 HE1 TRP 45 1HE TRP 45 4.870 8.231 3.558 308 HE3 TRP 45 3HE TRP 45 2.794 4.049 0.954 309 HZ2 TRP 45 2HZ TRP 45 6.633 7.159 1.631 310 HZ3 TRP 45 3HZ TRP 45 4.856 3.835 -0.371 311 HH2 TRP 45 HH TRP 45 6.735 5.359 -0.038 312 H GLY 46 H GLY 46 2.798 5.032 6.317 313 HA2 GLY 46 1HA GLY 46 2.335 7.811 7.126 314 HA3 GLY 46 2HA GLY 46 2.223 6.567 8.362 315 H GLY 47 H GLY 47 4.040 8.654 8.553 316 HA2 GLY 47 1HA GLY 47 6.559 8.434 7.566 317 HA3 GLY 47 2HA GLY 47 6.235 8.873 9.237 318 H VAL 48 H VAL 48 5.622 6.820 10.608 319 HA VAL 48 HA VAL 48 7.643 4.760 10.005 320 HB VAL 48 HB VAL 48 8.010 6.297 12.036 321 HG11 VAL 48 1HG1 VAL 48 5.643 6.123 12.809 322 HG12 VAL 48 2HG1 VAL 48 5.969 4.450 13.263 323 HG13 VAL 48 3HG1 VAL 48 6.841 5.765 14.053 324 HG21 VAL 48 1HG2 VAL 48 7.990 3.305 12.430 325 HG22 VAL 48 2HG2 VAL 48 9.257 4.226 11.620 326 HG23 VAL 48 3HG2 VAL 48 8.956 4.467 13.341 327 H GLU 49 H GLU 49 7.176 2.596 10.631 328 HA GLU 49 HA GLU 49 4.742 1.593 9.910 329 HB2 GLU 49 1HB GLU 49 5.355 -0.471 11.086 330 HB3 GLU 49 2HB GLU 49 6.721 0.194 10.201 331 HG2 GLU 49 1HG GLU 49 7.760 -0.303 12.148 332 HG3 GLU 49 2HG GLU 49 7.219 1.331 12.532 333 H GLY 50 H GLY 50 5.786 2.461 13.190 334 HA2 GLY 50 1HA GLY 50 3.541 1.588 14.591 335 HA3 GLY 50 2HA GLY 50 4.579 2.916 15.087 336 H SER 51 H SER 51 4.008 4.488 12.682 337 HA SER 51 HA SER 51 1.266 5.322 13.369 338 HB2 SER 51 1HB SER 51 3.761 6.866 12.849 339 HB3 SER 51 2HB SER 51 2.239 7.566 12.298 340 HG SER 51 HG SER 51 2.213 8.245 14.309 341 H MET 52 H MET 52 -0.023 4.511 11.827 342 HA MET 52 HA MET 52 0.448 5.355 9.080 343 HB2 MET 52 1HB MET 52 -0.032 2.462 9.817 344 HB3 MET 52 2HB MET 52 0.018 3.104 8.181 345 HG2 MET 52 1HG MET 52 2.322 3.567 8.325 346 HG3 MET 52 2HG MET 52 2.336 3.332 10.072 347 HE1 MET 52 1HE MET 52 1.647 0.130 6.924 348 HE2 MET 52 2HE MET 52 1.449 1.876 6.784 349 HE3 MET 52 3HE MET 52 3.052 1.156 6.632 350 H GLN 53 H GLN 53 -1.394 5.878 8.037 351 HA GLN 53 HA GLN 53 -3.950 4.919 9.091 352 HB2 GLN 53 1HB GLN 53 -3.194 7.819 8.726 353 HB3 GLN 53 2HB GLN 53 -4.855 7.267 8.893 354 HG2 GLN 53 1HG GLN 53 -4.524 6.578 11.105 355 HG3 GLN 53 2HG GLN 53 -2.769 6.633 10.948 356 HE21 GLN 53 1HE2 GLN 53 -5.142 8.074 12.481 357 HE22 GLN 53 2HE2 GLN 53 -4.578 9.707 12.532 358 H ILE 54 H ILE 54 -5.789 5.592 7.610 359 HA ILE 54 HA ILE 54 -5.314 4.636 5.027 360 HB ILE 54 HB ILE 54 -7.620 6.382 5.892 361 HG12 ILE 54 1HG1 ILE 54 -7.028 4.182 7.207 362 HG13 ILE 54 2HG1 ILE 54 -8.695 4.530 6.763 363 HG21 ILE 54 1HG2 ILE 54 -8.741 4.843 4.105 364 HG22 ILE 54 2HG2 ILE 54 -7.822 6.260 3.604 365 HG23 ILE 54 3HG2 ILE 54 -7.089 4.659 3.517 366 HD11 ILE 54 1HD1 ILE 54 -8.791 2.837 5.268 367 HD12 ILE 54 2HD1 ILE 54 -7.085 2.968 4.839 368 HD13 ILE 54 3HD1 ILE 54 -7.558 2.174 6.339 369 H CYS 55 H CYS 55 -4.022 5.605 3.600 370 HA CYS 55 HA CYS 55 -3.979 8.519 3.416 371 HB2 CYS 55 1HB CYS 55 -2.162 6.319 2.573 372 HB3 CYS 55 2HB CYS 55 -2.151 7.787 1.604 373 HG CYS 55 HG CYS 55 -1.884 8.206 4.939 374 H TYR 56 H TYR 56 -4.610 5.674 1.404 375 HA TYR 56 HA TYR 56 -6.227 7.358 -0.361 376 HB2 TYR 56 1HB TYR 56 -4.234 7.272 -1.622 377 HB3 TYR 56 2HB TYR 56 -3.947 5.585 -1.210 378 HD1 TYR 56 2HD TYR 56 -5.234 3.801 -2.316 379 HD2 TYR 56 1HD TYR 56 -5.682 7.880 -3.439 380 HE1 TYR 56 2HE TYR 56 -6.329 3.100 -4.404 381 HE2 TYR 56 1HE TYR 56 -6.780 7.191 -5.530 382 HH TYR 56 HH TYR 56 -6.629 4.178 -6.778 383 H CYS 57 H CYS 57 -8.027 6.375 -1.172 384 HA CYS 57 HA CYS 57 -8.364 3.499 -0.709 385 HB2 CYS 57 1HB CYS 57 -10.293 3.703 0.536 386 HB3 CYS 57 2HB CYS 57 -9.402 5.111 1.101 387 HG CYS 57 HG CYS 57 -12.392 5.101 0.095 388 H GLY 58 H GLY 58 -9.484 2.440 -2.270 389 HA2 GLY 58 1HA GLY 58 -11.478 3.179 -3.912 390 HA3 GLY 58 2HA GLY 58 -10.090 3.937 -4.679 391 HA PRO 59 HA PRO 59 -10.638 -0.598 -5.965 392 HB2 PRO 59 1HB PRO 59 -11.481 -0.157 -8.509 393 HB3 PRO 59 2HB PRO 59 -12.592 -0.322 -7.144 394 HG2 PRO 59 1HG PRO 59 -11.587 2.161 -8.481 395 HG3 PRO 59 2HG PRO 59 -13.229 1.770 -7.936 396 HD2 PRO 59 1HD PRO 59 -11.561 3.358 -6.512 397 HD3 PRO 59 2HD PRO 59 -12.763 2.302 -5.742 398 H GLY 60 H GLY 60 -9.033 2.238 -6.972 399 HA2 GLY 60 1HA GLY 60 -7.573 1.515 -9.188 400 HA3 GLY 60 2HA GLY 60 -6.955 2.545 -7.907 401 H LEU 61 H LEU 61 -5.244 0.937 -9.314 402 HA LEU 61 HA LEU 61 -4.551 -1.123 -7.325 403 HB2 LEU 61 1HB LEU 61 -4.173 -1.194 -10.313 404 HB3 LEU 61 2HB LEU 61 -3.464 -2.358 -9.196 405 HG LEU 61 HG LEU 61 -6.430 -1.928 -9.539 406 HD11 LEU 61 1HD1 LEU 61 -5.836 -4.423 -10.509 407 HD12 LEU 61 2HD1 LEU 61 -4.507 -3.441 -11.124 408 HD13 LEU 61 3HD1 LEU 61 -6.174 -2.993 -11.484 409 HD21 LEU 61 1HD2 LEU 61 -6.414 -4.242 -8.453 410 HD22 LEU 61 2HD2 LEU 61 -6.069 -2.855 -7.420 411 HD23 LEU 61 3HD2 LEU 61 -4.751 -3.877 -7.993 412 H SER 62 H SER 62 -3.709 1.792 -8.576 413 HA SER 62 HA SER 62 -0.975 1.521 -7.606 414 HB2 SER 62 1HB SER 62 -0.035 2.651 -9.591 415 HB3 SER 62 2HB SER 62 -0.763 1.101 -10.009 416 HG SER 62 HG SER 62 -2.671 2.352 -10.592 417 H TYR 63 H TYR 63 -0.182 3.355 -6.674 418 HA TYR 63 HA TYR 63 -1.674 5.853 -6.983 419 HB2 TYR 63 1HB TYR 63 -2.628 4.663 -5.022 420 HB3 TYR 63 2HB TYR 63 -1.031 4.647 -4.284 421 HD1 TYR 63 1HD TYR 63 -3.426 7.098 -5.783 422 HD2 TYR 63 2HD TYR 63 -0.549 6.300 -2.751 423 HE1 TYR 63 1HE TYR 63 -3.869 9.304 -4.791 424 HE2 TYR 63 2HE TYR 63 -0.985 8.505 -1.751 425 HH TYR 63 HH TYR 63 -3.289 10.769 -3.224 426 H GLU 64 H GLU 64 -0.479 7.711 -6.604 427 HA GLU 64 HA GLU 64 2.415 7.276 -6.277 428 HB2 GLU 64 1HB GLU 64 1.475 8.228 -8.477 429 HB3 GLU 64 2HB GLU 64 1.180 9.699 -7.562 430 HG2 GLU 64 1HG GLU 64 3.406 10.174 -7.334 431 HG3 GLU 64 2HG GLU 64 3.893 8.486 -7.479 432 H ILE 65 H ILE 65 3.181 7.891 -4.376 433 HA ILE 65 HA ILE 65 1.769 9.976 -2.871 434 HB ILE 65 HB ILE 65 3.673 7.806 -2.029 435 HG12 ILE 65 1HG1 ILE 65 1.031 8.499 -0.782 436 HG13 ILE 65 2HG1 ILE 65 1.087 7.569 -2.275 437 HG21 ILE 65 1HG2 ILE 65 2.801 10.218 -0.450 438 HG22 ILE 65 2HG2 ILE 65 3.495 8.768 0.273 439 HG23 ILE 65 3HG2 ILE 65 4.447 9.734 -0.855 440 HD11 ILE 65 1HD1 ILE 65 1.264 5.767 -1.001 441 HD12 ILE 65 2HD1 ILE 65 2.902 6.299 -0.621 442 HD13 ILE 65 3HD1 ILE 65 1.565 6.732 0.444 443 H LYS 66 H LYS 66 2.642 11.917 -2.528 444 HA LYS 66 HA LYS 66 5.525 12.275 -2.989 445 HB2 LYS 66 1HB LYS 66 3.262 13.928 -4.102 446 HB3 LYS 66 2HB LYS 66 4.908 14.537 -3.995 447 HG2 LYS 66 1HG LYS 66 5.542 12.413 -5.310 448 HG3 LYS 66 2HG LYS 66 3.822 12.332 -5.698 449 HD2 LYS 66 1HD LYS 66 4.056 14.763 -6.448 450 HD3 LYS 66 2HD LYS 66 5.798 14.491 -6.386 451 HE2 LYS 66 1HE LYS 66 5.617 12.705 -7.999 452 HE3 LYS 66 2HE LYS 66 3.859 12.829 -7.989 453 HZ1 LYS 66 1HZ LYS 66 5.824 14.487 -9.331 454 HZ2 LYS 66 2HZ LYS 66 4.536 15.324 -8.624 455 HZ3 LYS 66 3HZ LYS 66 4.233 14.119 -9.773 456 H GLY 67 H GLY 67 6.179 14.581 -2.219 457 HA2 GLY 67 1HA GLY 67 6.147 16.238 -0.585 458 HA3 GLY 67 2HA GLY 67 4.619 15.596 -0.001 459 H LEU 68 H LEU 68 7.309 13.458 -0.441 460 HA LEU 68 HA LEU 68 7.344 12.935 2.418 461 HB2 LEU 68 1HB LEU 68 8.984 11.558 0.310 462 HB3 LEU 68 2HB LEU 68 8.544 10.961 1.909 463 HG LEU 68 HG LEU 68 6.492 11.448 -0.235 464 HD11 LEU 68 1HD1 LEU 68 6.972 8.692 0.022 465 HD12 LEU 68 2HD1 LEU 68 8.543 9.454 -0.218 466 HD13 LEU 68 3HD1 LEU 68 7.249 9.715 -1.388 467 HD21 LEU 68 1HD2 LEU 68 6.508 9.669 2.201 468 HD22 LEU 68 2HD2 LEU 68 5.164 9.910 1.084 469 HD23 LEU 68 3HD2 LEU 68 5.722 11.244 2.094 470 H SER 69 H SER 69 9.799 12.173 3.046 471 HA SER 69 HA SER 69 11.499 14.517 2.492 472 HB2 SER 69 1HB SER 69 10.830 13.149 5.067 473 HB3 SER 69 2HB SER 69 12.423 13.883 4.884 474 HG SER 69 HG SER 69 11.466 15.690 5.329 475 HA PRO 70 HA PRO 70 14.576 11.683 1.129 476 HB2 PRO 70 1HB PRO 70 16.780 13.227 1.495 477 HB3 PRO 70 2HB PRO 70 15.620 13.501 0.190 478 HG2 PRO 70 1HG PRO 70 15.864 14.890 2.830 479 HG3 PRO 70 2HG PRO 70 15.566 15.583 1.225 480 HD2 PRO 70 1HD PRO 70 13.586 15.177 3.028 481 HD3 PRO 70 2HD PRO 70 13.322 15.055 1.276 482 H ALA 71 H ALA 71 16.146 10.270 1.903 483 HA ALA 71 HA ALA 71 17.143 8.939 3.460 484 HB1 ALA 71 1HB ALA 71 18.740 9.957 4.781 485 HB2 ALA 71 2HB ALA 71 18.475 11.168 3.527 486 HB3 ALA 71 3HB ALA 71 17.726 11.360 5.112 487 H THR 72 H THR 72 14.465 8.913 3.779 488 HA THR 72 HA THR 72 14.188 8.712 6.694 489 HB THR 72 HB THR 72 12.187 10.012 4.842 490 HG1 THR 72 1HG THR 72 13.845 10.892 6.953 491 HG21 THR 72 1HG2 THR 72 11.866 8.748 7.502 492 HG22 THR 72 2HG2 THR 72 10.699 8.950 6.196 493 HG23 THR 72 3HG2 THR 72 11.076 10.305 7.260 494 H THR 73 H THR 73 13.028 6.975 7.407 495 HA THR 73 HA THR 73 12.448 4.924 5.440 496 HB THR 73 HB THR 73 12.066 4.684 8.422 497 HG1 THR 73 1HG THR 73 14.180 5.246 8.279 498 HG21 THR 73 1HG2 THR 73 13.098 2.363 7.100 499 HG22 THR 73 2HG2 THR 73 11.666 2.934 6.242 500 HG23 THR 73 3HG2 THR 73 11.574 2.560 7.963 501 H TYR 74 H TYR 74 10.463 4.081 4.970 502 HA TYR 74 HA TYR 74 8.126 5.172 6.364 503 HB2 TYR 74 1HB TYR 74 8.565 5.180 3.375 504 HB3 TYR 74 2HB TYR 74 6.992 5.423 4.124 505 HD1 TYR 74 1HD TYR 74 6.631 7.425 5.588 506 HD2 TYR 74 2HD TYR 74 10.137 6.946 3.227 507 HE1 TYR 74 1HE TYR 74 7.103 9.829 5.812 508 HE2 TYR 74 2HE TYR 74 10.621 9.347 3.445 509 HH TYR 74 HH TYR 74 9.268 11.298 5.693 510 H TYR 75 H TYR 75 6.113 3.960 5.817 511 HA TYR 75 HA TYR 75 6.586 1.217 4.917 512 HB2 TYR 75 1HB TYR 75 5.162 1.843 7.510 513 HB3 TYR 75 2HB TYR 75 5.501 0.248 6.847 514 HD1 TYR 75 1HD TYR 75 6.997 3.220 8.431 515 HD2 TYR 75 2HD TYR 75 7.650 -0.773 7.114 516 HE1 TYR 75 1HE TYR 75 9.125 3.169 9.663 517 HE2 TYR 75 2HE TYR 75 9.780 -0.836 8.343 518 HH TYR 75 HH TYR 75 10.695 0.532 10.512 519 H CYS 76 H CYS 76 4.780 0.180 4.075 520 HA CYS 76 HA CYS 76 2.234 1.603 4.071 521 HB2 CYS 76 1HB CYS 76 2.035 1.474 1.624 522 HB3 CYS 76 2HB CYS 76 3.401 2.474 2.105 523 HG CYS 76 HG CYS 76 5.275 0.376 1.642 524 H ARG 77 H ARG 77 0.450 0.295 3.734 525 HA ARG 77 HA ARG 77 0.881 -2.524 3.117 526 HB2 ARG 77 1HB ARG 77 -0.393 -3.266 5.078 527 HB3 ARG 77 2HB ARG 77 1.072 -2.416 5.548 528 HG2 ARG 77 1HG ARG 77 -0.435 -0.347 5.751 529 HG3 ARG 77 2HG ARG 77 -1.770 -1.501 5.731 530 HD2 ARG 77 1HD ARG 77 -0.892 -2.621 7.675 531 HD3 ARG 77 2HD ARG 77 0.553 -1.612 7.648 532 HE ARG 77 HE ARG 77 -1.574 0.126 7.847 533 HH11 ARG 77 1HH1 ARG 77 -0.285 -2.520 9.705 534 HH12 ARG 77 2HH1 ARG 77 -0.837 -1.895 11.224 535 HH21 ARG 77 1HH2 ARG 77 -2.306 0.961 9.839 536 HH22 ARG 77 2HH2 ARG 77 -1.987 0.086 11.298 537 H VAL 78 H VAL 78 -0.767 -3.418 1.999 538 HA VAL 78 HA VAL 78 -3.226 -1.816 1.708 539 HB VAL 78 HB VAL 78 -1.788 -1.847 -0.333 540 HG11 VAL 78 1HG1 VAL 78 -2.072 -4.124 -1.617 541 HG12 VAL 78 2HG1 VAL 78 -0.740 -3.882 -0.484 542 HG13 VAL 78 3HG1 VAL 78 -2.173 -4.779 0.017 543 HG21 VAL 78 1HG2 VAL 78 -4.236 -1.522 -0.428 544 HG22 VAL 78 2HG2 VAL 78 -3.593 -2.294 -1.878 545 HG23 VAL 78 3HG2 VAL 78 -4.434 -3.258 -0.664 546 H GLN 79 H GLN 79 -5.191 -2.950 1.407 547 HA GLN 79 HA GLN 79 -5.151 -5.832 1.894 548 HB2 GLN 79 1HB GLN 79 -6.385 -5.797 3.831 549 HB3 GLN 79 2HB GLN 79 -5.428 -4.336 4.046 550 HG2 GLN 79 1HG GLN 79 -7.321 -3.021 3.144 551 HG3 GLN 79 2HG GLN 79 -8.275 -4.502 3.090 552 HE21 GLN 79 1HE2 GLN 79 -8.767 -5.559 5.076 553 HE22 GLN 79 2HE2 GLN 79 -8.828 -4.663 6.552 554 H ALA 80 H ALA 80 -7.129 -6.903 1.347 555 HA ALA 80 HA ALA 80 -8.693 -5.399 -0.633 556 HB1 ALA 80 1HB ALA 80 -7.974 -8.288 -0.360 557 HB2 ALA 80 2HB ALA 80 -9.384 -7.807 -1.304 558 HB3 ALA 80 3HB ALA 80 -7.784 -7.211 -1.744 559 H LEU 81 H LEU 81 -10.690 -4.815 -0.116 560 HA LEU 81 HA LEU 81 -12.018 -6.129 2.139 561 HB2 LEU 81 1HB LEU 81 -12.511 -3.513 0.736 562 HB3 LEU 81 2HB LEU 81 -13.586 -4.167 1.970 563 HG LEU 81 HG LEU 81 -11.399 -4.191 3.421 564 HD11 LEU 81 1HD1 LEU 81 -9.930 -2.300 2.881 565 HD12 LEU 81 2HD1 LEU 81 -10.791 -2.077 1.359 566 HD13 LEU 81 3HD1 LEU 81 -9.876 -3.557 1.645 567 HD21 LEU 81 1HD2 LEU 81 -11.947 -1.557 3.689 568 HD22 LEU 81 2HD2 LEU 81 -12.934 -2.848 4.373 569 HD23 LEU 81 3HD2 LEU 81 -13.391 -2.106 2.840 570 H SER 82 H SER 82 -14.109 -6.946 1.998 571 HA SER 82 HA SER 82 -15.193 -7.244 -0.724 572 HB2 SER 82 1HB SER 82 -15.926 -9.548 -0.049 573 HB3 SER 82 2HB SER 82 -14.177 -9.356 -0.158 574 HG SER 82 HG SER 82 -14.322 -10.239 1.772 575 H VAL 83 H VAL 83 -17.517 -8.453 -0.315 576 HA VAL 83 HA VAL 83 -19.028 -6.461 1.176 577 HB VAL 83 HB VAL 83 -21.016 -7.719 0.161 578 HG11 VAL 83 1HG1 VAL 83 -20.055 -5.560 -0.654 579 HG12 VAL 83 2HG1 VAL 83 -19.077 -6.490 -1.793 580 HG13 VAL 83 3HG1 VAL 83 -20.837 -6.528 -1.904 581 HG21 VAL 83 1HG2 VAL 83 -19.686 -9.776 -0.332 582 HG22 VAL 83 2HG2 VAL 83 -20.605 -9.159 -1.704 583 HG23 VAL 83 3HG2 VAL 83 -18.867 -8.875 -1.608 584 H VAL 84 H VAL 84 -17.747 -9.505 1.735 585 HA VAL 84 HA VAL 84 -19.854 -10.283 3.617 586 HB VAL 84 HB VAL 84 -18.702 -11.898 1.927 587 HG11 VAL 84 1HG1 VAL 84 -16.799 -12.555 4.072 588 HG12 VAL 84 2HG1 VAL 84 -16.609 -12.634 2.319 589 HG13 VAL 84 3HG1 VAL 84 -16.436 -11.091 3.158 590 HG21 VAL 84 1HG2 VAL 84 -19.447 -13.652 3.194 591 HG22 VAL 84 2HG2 VAL 84 -18.741 -13.022 4.682 592 HG23 VAL 84 3HG2 VAL 84 -20.225 -12.315 4.043 593 H GLY 85 H GLY 85 -16.675 -8.949 3.493 594 HA2 GLY 85 1HA GLY 85 -16.651 -8.181 6.183 595 HA3 GLY 85 2HA GLY 85 -15.742 -9.680 6.051 596 H ALA 86 H ALA 86 -13.636 -9.319 5.979 597 HA ALA 86 HA ALA 86 -12.517 -7.505 4.044 598 HB1 ALA 86 1HB ALA 86 -11.606 -6.917 6.812 599 HB2 ALA 86 2HB ALA 86 -11.645 -5.877 5.386 600 HB3 ALA 86 3HB ALA 86 -13.134 -6.222 6.267 601 H GLY 87 H GLY 87 -10.141 -7.625 3.981 602 HA2 GLY 87 1HA GLY 87 -9.241 -10.276 4.903 603 HA3 GLY 87 2HA GLY 87 -8.605 -9.424 3.504 604 HA PRO 88 HA PRO 88 -6.046 -8.705 7.453 605 HB2 PRO 88 1HB PRO 88 -3.939 -10.308 6.853 606 HB3 PRO 88 2HB PRO 88 -5.342 -10.870 7.767 607 HG2 PRO 88 1HG PRO 88 -4.709 -11.225 4.863 608 HG3 PRO 88 2HG PRO 88 -5.360 -12.402 6.019 609 HD2 PRO 88 1HD PRO 88 -6.924 -11.092 4.239 610 HD3 PRO 88 2HD PRO 88 -7.505 -11.578 5.845 611 H PHE 89 H PHE 89 -3.884 -7.719 7.504 612 HA PHE 89 HA PHE 89 -3.457 -6.100 5.143 613 HB2 PHE 89 1HB PHE 89 -2.551 -6.033 7.978 614 HB3 PHE 89 2HB PHE 89 -1.525 -5.250 6.781 615 HD1 PHE 89 2HD PHE 89 -3.026 -3.807 5.015 616 HD2 PHE 89 1HD PHE 89 -3.996 -4.648 9.074 617 HE1 PHE 89 2HE PHE 89 -4.472 -1.816 5.079 618 HE2 PHE 89 1HE PHE 89 -5.443 -2.660 9.144 619 HZ PHE 89 HZ PHE 89 -5.681 -1.240 7.145 620 H SER 90 H SER 90 -1.852 -6.297 3.699 621 HA SER 90 HA SER 90 -0.384 -8.665 3.472 622 HB2 SER 90 1HB SER 90 0.837 -7.526 1.662 623 HB3 SER 90 2HB SER 90 -0.897 -7.224 1.550 624 HG SER 90 HG SER 90 -0.233 -5.257 2.912 625 H GLU 91 H GLU 91 2.116 -8.553 3.126 626 HA GLU 91 HA GLU 91 3.267 -8.073 5.676 627 HB2 GLU 91 1HB GLU 91 4.340 -8.941 3.014 628 HB3 GLU 91 2HB GLU 91 5.447 -8.535 4.317 629 HG2 GLU 91 1HG GLU 91 4.194 -10.201 5.736 630 HG3 GLU 91 2HG GLU 91 3.384 -10.715 4.258 631 H VAL 92 H VAL 92 3.802 -6.153 6.458 632 HA VAL 92 HA VAL 92 3.835 -3.736 5.214 633 HB VAL 92 HB VAL 92 5.639 -4.602 7.477 634 HG11 VAL 92 1HG1 VAL 92 5.684 -2.208 5.996 635 HG12 VAL 92 2HG1 VAL 92 4.930 -1.831 7.546 636 HG13 VAL 92 3HG1 VAL 92 6.532 -2.570 7.499 637 HG21 VAL 92 1HG2 VAL 92 3.938 -3.656 8.924 638 HG22 VAL 92 2HG2 VAL 92 2.971 -3.192 7.524 639 HG23 VAL 92 3HG2 VAL 92 3.229 -4.897 7.891 640 H VAL 93 H VAL 93 4.999 -2.826 3.660 641 HA VAL 93 HA VAL 93 7.623 -3.978 3.006 642 HB VAL 93 HB VAL 93 5.791 -2.288 1.297 643 HG11 VAL 93 1HG1 VAL 93 8.023 -3.777 0.081 644 HG12 VAL 93 2HG1 VAL 93 7.382 -2.177 -0.298 645 HG13 VAL 93 3HG1 VAL 93 8.478 -2.389 1.069 646 HG21 VAL 93 1HG2 VAL 93 5.659 -5.008 1.911 647 HG22 VAL 93 2HG2 VAL 93 4.821 -4.169 0.606 648 HG23 VAL 93 3HG2 VAL 93 6.383 -4.929 0.305 649 H ALA 94 H ALA 94 9.155 -2.881 4.085 650 HA ALA 94 HA ALA 94 8.966 -0.094 4.685 651 HB1 ALA 94 1HB ALA 94 10.293 -2.041 5.868 652 HB2 ALA 94 2HB ALA 94 11.580 -1.508 4.786 653 HB3 ALA 94 3HB ALA 94 10.862 -0.373 5.928 654 H CYS 95 H CYS 95 10.307 1.593 3.903 655 HA CYS 95 HA CYS 95 11.950 1.165 1.573 656 HB2 CYS 95 1HB CYS 95 10.689 2.554 0.052 657 HB3 CYS 95 2HB CYS 95 9.648 1.257 0.629 658 HG CYS 95 HG CYS 95 8.115 2.791 2.280 659 H VAL 96 H VAL 96 13.560 2.606 1.534 660 HA VAL 96 HA VAL 96 13.289 5.007 3.223 661 HB VAL 96 HB VAL 96 15.819 3.518 2.502 662 HG11 VAL 96 1HG1 VAL 96 15.300 6.141 3.678 663 HG12 VAL 96 2HG1 VAL 96 16.381 5.133 4.641 664 HG13 VAL 96 3HG1 VAL 96 16.772 5.490 2.959 665 HG21 VAL 96 1HG2 VAL 96 14.754 3.733 5.278 666 HG22 VAL 96 2HG2 VAL 96 14.060 2.534 4.187 667 HG23 VAL 96 3HG2 VAL 96 15.784 2.496 4.559 668 H THR 97 H THR 97 13.378 6.914 2.245 669 HA THR 97 HA THR 97 13.818 7.097 -0.580 670 HB THR 97 HB THR 97 13.474 9.545 -0.241 671 HG1 THR 97 1HG THR 97 14.338 9.507 1.970 672 HG21 THR 97 1HG2 THR 97 11.622 7.433 0.108 673 HG22 THR 97 2HG2 THR 97 11.312 9.068 -0.476 674 HG23 THR 97 3HG2 THR 97 11.186 8.707 1.245 675 HA PRO 98 HA PRO 98 18.108 8.045 -0.688 676 HB2 PRO 98 1HB PRO 98 18.201 9.633 -2.888 677 HB3 PRO 98 2HB PRO 98 17.948 7.886 -2.975 678 HG2 PRO 98 1HG PRO 98 15.939 10.100 -3.119 679 HG3 PRO 98 2HG PRO 98 16.052 8.626 -4.099 680 HD2 PRO 98 1HD PRO 98 14.324 8.869 -2.029 681 HD3 PRO 98 2HD PRO 98 15.066 7.320 -2.476 682 HA PRO 99 HA PRO 99 18.710 11.889 1.393 683 HB2 PRO 99 1HB PRO 99 21.385 12.165 1.022 684 HB3 PRO 99 2HB PRO 99 20.687 10.998 2.152 685 HG2 PRO 99 1HG PRO 99 21.710 10.564 -0.628 686 HG3 PRO 99 2HG PRO 99 21.948 9.568 0.820 687 HD2 PRO 99 1HD PRO 99 20.129 8.953 -1.090 688 HD3 PRO 99 2HD PRO 99 19.879 8.570 0.626 689 H SER 100 H SER 100 18.543 13.988 0.860 690 HA SER 100 HA SER 100 18.968 14.729 -1.936 691 HB2 SER 100 1HB SER 100 16.826 15.213 -0.473 692 HB3 SER 100 2HB SER 100 17.773 16.596 0.077 693 HG SER 100 HG SER 100 18.065 17.051 -2.238 694 H SER 101 H SER 101 20.982 15.377 -2.355 695 HA SER 101 HA SER 101 22.016 17.727 -1.087 696 HB2 SER 101 1HB SER 101 22.664 15.872 0.506 697 HB3 SER 101 2HB SER 101 23.670 15.214 -0.784 698 HG SER 101 HG SER 101 24.437 16.948 0.923 699 H GLY 102 H GLY 102 23.559 18.750 -2.327 700 HA2 GLY 102 1HA GLY 102 23.976 17.571 -4.982 701 HA3 GLY 102 2HA GLY 102 24.140 19.273 -4.572 702 HA PRO 103 HA PRO 103 28.237 16.742 -4.293 703 HB2 PRO 103 1HB PRO 103 29.121 16.851 -6.858 704 HB3 PRO 103 2HB PRO 103 28.157 15.508 -6.230 705 HG2 PRO 103 1HG PRO 103 27.286 17.869 -7.853 706 HG3 PRO 103 2HG PRO 103 26.822 16.165 -8.016 707 HD2 PRO 103 1HD PRO 103 25.242 17.995 -6.796 708 HD3 PRO 103 2HD PRO 103 25.284 16.290 -6.304 709 H SER 104 H SER 104 27.664 19.327 -6.691 710 HA SER 104 HA SER 104 30.003 20.652 -6.711 711 HB2 SER 104 1HB SER 104 28.754 22.746 -7.067 712 HB3 SER 104 2HB SER 104 28.027 21.408 -7.956 713 HG SER 104 HG SER 104 26.541 21.215 -6.164 714 H SER 105 H SER 105 31.184 22.013 -5.442 715 HA SER 105 HA SER 105 30.211 23.193 -3.045 716 HB2 SER 105 1HB SER 105 31.597 21.904 -1.448 717 HB3 SER 105 2HB SER 105 30.353 20.906 -2.201 718 HG SER 105 HG SER 105 31.879 19.947 -3.461 719 H GLY 106 H GLY 106 31.290 25.043 -2.986 720 HA2 GLY 106 1HA GLY 106 33.421 26.129 -2.517 721 HA3 GLY 106 2HA GLY 106 34.170 25.000 -3.637 Start of MODEL 3 1 H1 GLY 1 H GLY 1 -7.067 -27.612 16.023 2 HA2 GLY 1 1HA GLY 1 -5.849 -25.172 15.076 3 HA3 GLY 1 2HA GLY 1 -5.452 -26.582 14.106 4 H SER 2 H SER 2 -8.464 -25.591 15.719 5 HA SER 2 HA SER 2 -9.822 -25.880 13.124 6 HB2 SER 2 1HB SER 2 -11.880 -26.273 14.426 7 HB3 SER 2 2HB SER 2 -10.619 -27.431 14.849 8 HG SER 2 HG SER 2 -10.180 -25.618 16.535 9 H SER 3 H SER 3 -9.654 -23.844 12.285 10 HA SER 3 HA SER 3 -11.176 -21.764 13.682 11 HB2 SER 3 1HB SER 3 -8.332 -21.595 12.770 12 HB3 SER 3 2HB SER 3 -9.344 -20.156 12.664 13 HG SER 3 HG SER 3 -8.674 -19.974 14.676 14 H GLY 4 H GLY 4 -12.694 -20.962 12.395 15 HA2 GLY 4 1HA GLY 4 -12.249 -21.090 9.475 16 HA3 GLY 4 2HA GLY 4 -13.812 -21.398 10.219 17 H SER 5 H SER 5 -11.528 -18.982 9.228 18 HA SER 5 HA SER 5 -13.163 -16.800 10.238 19 HB2 SER 5 1HB SER 5 -10.613 -16.784 10.222 20 HB3 SER 5 2HB SER 5 -10.721 -16.564 8.476 21 HG SER 5 HG SER 5 -10.574 -14.558 9.498 22 H SER 6 H SER 6 -13.691 -14.986 8.716 23 HA SER 6 HA SER 6 -14.597 -16.068 6.128 24 HB2 SER 6 1HB SER 6 -16.604 -14.848 6.293 25 HB3 SER 6 2HB SER 6 -16.363 -15.489 7.917 26 HG SER 6 HG SER 6 -15.439 -13.442 8.467 27 H GLY 7 H GLY 7 -13.534 -15.213 4.475 28 HA2 GLY 7 1HA GLY 7 -13.447 -12.674 3.613 29 HA3 GLY 7 2HA GLY 7 -12.128 -12.691 4.774 30 HA PRO 8 HA PRO 8 -10.779 -14.209 0.496 31 HB2 PRO 8 1HB PRO 8 -9.192 -12.100 -0.139 32 HB3 PRO 8 2HB PRO 8 -10.908 -12.170 -0.555 33 HG2 PRO 8 1HG PRO 8 -9.568 -10.765 1.723 34 HG3 PRO 8 2HG PRO 8 -10.867 -10.189 0.661 35 HD2 PRO 8 1HD PRO 8 -11.335 -11.139 3.153 36 HD3 PRO 8 2HD PRO 8 -12.495 -11.334 1.824 37 H ASP 9 H ASP 9 -8.372 -14.288 -0.227 38 HA ASP 9 HA ASP 9 -6.872 -15.311 2.013 39 HB2 ASP 9 1HB ASP 9 -6.931 -16.429 -0.226 40 HB3 ASP 9 2HB ASP 9 -6.013 -15.074 -0.877 41 H GLN 10 H GLN 10 -4.711 -14.671 2.548 42 HA GLN 10 HA GLN 10 -4.331 -12.039 3.129 43 HB2 GLN 10 1HB GLN 10 -2.954 -14.012 3.913 44 HB3 GLN 10 2HB GLN 10 -2.052 -13.881 2.409 45 HG2 GLN 10 1HG GLN 10 -1.747 -11.394 3.173 46 HG3 GLN 10 2HG GLN 10 -2.084 -12.069 4.766 47 HE21 GLN 10 1HE2 GLN 10 0.368 -10.967 3.306 48 HE22 GLN 10 2HE2 GLN 10 1.594 -12.140 3.638 49 H CYS 11 H CYS 11 -3.330 -10.272 2.205 50 HA CYS 11 HA CYS 11 -3.135 -10.358 -0.710 51 HB2 CYS 11 1HB CYS 11 -3.491 -8.157 1.299 52 HB3 CYS 11 2HB CYS 11 -2.924 -7.787 -0.324 53 HG CYS 11 HG CYS 11 -5.701 -9.683 -0.147 54 H LYS 12 H LYS 12 -1.308 -9.827 -1.841 55 HA LYS 12 HA LYS 12 1.191 -10.159 -0.470 56 HB2 LYS 12 1HB LYS 12 0.585 -9.521 -3.363 57 HB3 LYS 12 2HB LYS 12 2.181 -9.909 -2.733 58 HG2 LYS 12 1HG LYS 12 -0.037 -11.831 -2.259 59 HG3 LYS 12 2HG LYS 12 0.674 -11.734 -3.872 60 HD2 LYS 12 1HD LYS 12 2.913 -12.071 -2.839 61 HD3 LYS 12 2HD LYS 12 2.113 -12.314 -1.284 62 HE2 LYS 12 1HE LYS 12 1.421 -13.947 -3.710 63 HE3 LYS 12 2HE LYS 12 2.741 -14.394 -2.631 64 HZ1 LYS 12 1HZ LYS 12 1.000 -14.226 -0.800 65 HZ2 LYS 12 2HZ LYS 12 0.914 -15.562 -1.832 66 HZ3 LYS 12 3HZ LYS 12 -0.150 -14.264 -2.039 67 HA PRO 13 HA PRO 13 2.312 -5.968 0.214 68 HB2 PRO 13 1HB PRO 13 5.007 -6.101 -0.092 69 HB3 PRO 13 2HB PRO 13 4.164 -6.772 1.309 70 HG2 PRO 13 1HG PRO 13 5.172 -8.166 -1.141 71 HG3 PRO 13 2HG PRO 13 5.274 -8.672 0.555 72 HD2 PRO 13 1HD PRO 13 3.425 -9.669 -1.153 73 HD3 PRO 13 2HD PRO 13 3.109 -9.461 0.582 74 HA PRO 14 HA PRO 14 2.450 -4.094 -3.803 75 HB2 PRO 14 1HB PRO 14 2.736 -1.524 -2.977 76 HB3 PRO 14 2HB PRO 14 1.205 -2.400 -2.878 77 HG2 PRO 14 1HG PRO 14 3.239 -1.893 -0.741 78 HG3 PRO 14 2HG PRO 14 1.471 -1.795 -0.648 79 HD2 PRO 14 1HD PRO 14 2.862 -3.928 0.272 80 HD3 PRO 14 2HD PRO 14 1.231 -4.075 -0.414 81 H GLN 15 H GLN 15 3.871 -2.582 -5.038 82 HA GLN 15 HA GLN 15 6.673 -2.927 -4.205 83 HB2 GLN 15 1HB GLN 15 6.150 -4.125 -6.250 84 HB3 GLN 15 2HB GLN 15 5.481 -2.668 -6.970 85 HG2 GLN 15 1HG GLN 15 7.595 -2.881 -7.923 86 HG3 GLN 15 2HG GLN 15 7.794 -1.654 -6.673 87 HE21 GLN 15 1HE2 GLN 15 9.991 -2.015 -6.487 88 HE22 GLN 15 2HE2 GLN 15 10.641 -3.437 -5.751 89 H VAL 16 H VAL 16 7.615 -1.138 -3.501 90 HA VAL 16 HA VAL 16 6.543 1.468 -4.221 91 HB VAL 16 HB VAL 16 8.252 2.321 -2.588 92 HG11 VAL 16 1HG1 VAL 16 6.886 1.927 -0.779 93 HG12 VAL 16 2HG1 VAL 16 5.807 1.519 -2.116 94 HG13 VAL 16 3HG1 VAL 16 6.619 0.238 -1.212 95 HG21 VAL 16 1HG2 VAL 16 9.820 0.425 -2.823 96 HG22 VAL 16 2HG2 VAL 16 9.393 0.756 -1.144 97 HG23 VAL 16 3HG2 VAL 16 8.658 -0.607 -1.989 98 H THR 17 H THR 17 7.555 2.976 -5.449 99 HA THR 17 HA THR 17 10.219 2.319 -6.513 100 HB THR 17 HB THR 17 7.851 3.322 -8.104 101 HG1 THR 17 1HG THR 17 8.244 0.958 -7.593 102 HG21 THR 17 1HG2 THR 17 9.469 4.436 -9.238 103 HG22 THR 17 2HG2 THR 17 9.750 2.848 -9.951 104 HG23 THR 17 3HG2 THR 17 10.761 3.407 -8.619 105 H CYS 18 H CYS 18 10.995 3.829 -4.919 106 HA CYS 18 HA CYS 18 10.257 6.410 -4.478 107 HB2 CYS 18 1HB CYS 18 12.981 5.142 -4.590 108 HB3 CYS 18 2HB CYS 18 12.793 6.846 -4.196 109 HG CYS 18 HG CYS 18 11.391 4.270 -2.431 110 H ARG 19 H ARG 19 9.480 7.561 -6.197 111 HA ARG 19 HA ARG 19 10.792 7.766 -8.703 112 HB2 ARG 19 1HB ARG 19 8.533 9.190 -7.363 113 HB3 ARG 19 2HB ARG 19 9.246 9.907 -8.802 114 HG2 ARG 19 1HG ARG 19 8.254 7.072 -8.722 115 HG3 ARG 19 2HG ARG 19 7.227 8.440 -9.160 116 HD2 ARG 19 1HD ARG 19 9.853 8.050 -10.531 117 HD3 ARG 19 2HD ARG 19 8.464 7.076 -11.010 118 HE ARG 19 HE ARG 19 8.934 9.776 -11.690 119 HH11 ARG 19 1HH1 ARG 19 6.377 7.607 -10.753 120 HH12 ARG 19 2HH1 ARG 19 5.140 8.503 -11.571 121 HH21 ARG 19 1HH2 ARG 19 7.315 10.964 -12.772 122 HH22 ARG 19 2HH2 ARG 19 5.675 10.411 -12.720 123 H SER 20 H SER 20 10.905 9.651 -5.744 124 HA SER 20 HA SER 20 13.371 10.880 -6.555 125 HB2 SER 20 1HB SER 20 11.323 12.263 -7.500 126 HB3 SER 20 2HB SER 20 11.256 12.872 -5.846 127 HG SER 20 HG SER 20 13.135 13.311 -7.826 128 H ALA 21 H ALA 21 14.040 12.555 -4.801 129 HA ALA 21 HA ALA 21 14.396 11.314 -2.400 130 HB1 ALA 21 1HB ALA 21 15.041 13.436 -1.478 131 HB2 ALA 21 2HB ALA 21 15.570 13.364 -3.159 132 HB3 ALA 21 3HB ALA 21 14.139 14.299 -2.725 133 H THR 22 H THR 22 11.729 13.451 -3.305 134 HA THR 22 HA THR 22 10.337 12.629 -0.838 135 HB THR 22 HB THR 22 9.126 14.758 -0.872 136 HG1 THR 22 1HG THR 22 10.866 15.474 -3.015 137 HG21 THR 22 1HG2 THR 22 11.970 15.610 -1.097 138 HG22 THR 22 2HG2 THR 22 11.556 14.396 0.113 139 HG23 THR 22 3HG2 THR 22 10.778 15.978 0.148 140 H CYS 23 H CYS 23 10.323 11.310 -3.441 141 HA CYS 23 HA CYS 23 7.433 11.403 -3.910 142 HB2 CYS 23 1HB CYS 23 9.469 11.300 -6.144 143 HB3 CYS 23 2HB CYS 23 7.719 11.321 -6.319 144 HG CYS 23 HG CYS 23 7.913 13.838 -6.894 145 H ALA 24 H ALA 24 6.496 9.447 -4.212 146 HA ALA 24 HA ALA 24 8.071 7.125 -4.916 147 HB1 ALA 24 1HB ALA 24 8.571 6.693 -2.761 148 HB2 ALA 24 2HB ALA 24 7.244 7.678 -2.144 149 HB3 ALA 24 3HB ALA 24 6.931 6.044 -2.729 150 H GLN 25 H GLN 25 6.857 5.515 -5.811 151 HA GLN 25 HA GLN 25 3.942 5.944 -5.860 152 HB2 GLN 25 1HB GLN 25 4.927 6.432 -8.031 153 HB3 GLN 25 2HB GLN 25 5.734 4.869 -8.043 154 HG2 GLN 25 1HG GLN 25 3.365 3.885 -7.871 155 HG3 GLN 25 2HG GLN 25 2.829 5.488 -8.375 156 HE21 GLN 25 1HE2 GLN 25 2.013 4.740 -10.318 157 HE22 GLN 25 2HE2 GLN 25 3.032 4.240 -11.621 158 H VAL 26 H VAL 26 2.677 4.299 -5.251 159 HA VAL 26 HA VAL 26 3.977 1.749 -4.602 160 HB VAL 26 HB VAL 26 1.211 2.534 -3.729 161 HG11 VAL 26 1HG1 VAL 26 3.310 0.697 -2.582 162 HG12 VAL 26 2HG1 VAL 26 1.738 1.026 -1.851 163 HG13 VAL 26 3HG1 VAL 26 1.832 0.215 -3.415 164 HG21 VAL 26 1HG2 VAL 26 2.551 3.163 -1.548 165 HG22 VAL 26 2HG2 VAL 26 3.830 3.517 -2.710 166 HG23 VAL 26 3HG2 VAL 26 2.279 4.347 -2.825 167 H ASN 27 H ASN 27 2.880 -0.246 -5.066 168 HA ASN 27 HA ASN 27 0.709 -0.195 -6.989 169 HB2 ASN 27 1HB ASN 27 3.372 -1.452 -7.690 170 HB3 ASN 27 2HB ASN 27 1.909 -1.516 -8.668 171 HD21 ASN 27 1HD2 ASN 27 0.964 0.756 -9.077 172 HD22 ASN 27 2HD2 ASN 27 2.107 1.943 -9.599 173 H TRP 28 H TRP 28 -0.616 -1.876 -6.690 174 HA TRP 28 HA TRP 28 0.428 -4.261 -5.322 175 HB2 TRP 28 1HB TRP 28 -1.706 -4.385 -4.044 176 HB3 TRP 28 2HB TRP 28 -0.739 -2.969 -3.643 177 HD1 TRP 28 HD TRP 28 -4.033 -3.984 -5.280 178 HE1 TRP 28 1HE TRP 28 -5.492 -1.885 -5.578 179 HE3 TRP 28 3HE TRP 28 -0.606 -0.421 -3.978 180 HZ2 TRP 28 2HZ TRP 28 -5.226 0.911 -5.299 181 HZ3 TRP 28 3HZ TRP 28 -1.288 1.943 -4.020 182 HH2 TRP 28 HH TRP 28 -3.551 2.593 -4.667 183 H GLU 29 H GLU 29 -1.565 -5.952 -5.323 184 HA GLU 29 HA GLU 29 -2.965 -5.928 -7.869 185 HB2 GLU 29 1HB GLU 29 -0.884 -8.000 -7.167 186 HB3 GLU 29 2HB GLU 29 -2.094 -8.228 -8.423 187 HG2 GLU 29 1HG GLU 29 -0.114 -5.965 -8.393 188 HG3 GLU 29 2HG GLU 29 0.140 -7.490 -9.239 189 H VAL 30 H VAL 30 -4.553 -7.650 -8.047 190 HA VAL 30 HA VAL 30 -5.796 -8.185 -5.505 191 HB VAL 30 HB VAL 30 -6.688 -9.189 -8.207 192 HG11 VAL 30 1HG1 VAL 30 -7.675 -10.100 -6.033 193 HG12 VAL 30 2HG1 VAL 30 -8.396 -8.502 -5.835 194 HG13 VAL 30 3HG1 VAL 30 -8.801 -9.488 -7.242 195 HG21 VAL 30 1HG2 VAL 30 -6.534 -6.885 -8.554 196 HG22 VAL 30 2HG2 VAL 30 -8.214 -7.130 -8.078 197 HG23 VAL 30 3HG2 VAL 30 -7.049 -6.508 -6.910 198 HA PRO 31 HA PRO 31 -3.993 -12.178 -4.898 199 HB2 PRO 31 1HB PRO 31 -5.689 -13.037 -2.960 200 HB3 PRO 31 2HB PRO 31 -4.415 -11.848 -2.664 201 HG2 PRO 31 1HG PRO 31 -7.337 -11.414 -3.145 202 HG3 PRO 31 2HG PRO 31 -6.271 -10.637 -1.960 203 HD2 PRO 31 1HD PRO 31 -6.981 -9.441 -4.283 204 HD3 PRO 31 2HD PRO 31 -5.405 -9.170 -3.512 205 H LEU 32 H LEU 32 -5.312 -14.448 -4.206 206 HA LEU 32 HA LEU 32 -6.984 -14.960 -6.570 207 HB2 LEU 32 1HB LEU 32 -4.887 -16.222 -6.449 208 HB3 LEU 32 2HB LEU 32 -5.379 -16.884 -4.892 209 HG LEU 32 HG LEU 32 -7.358 -17.904 -6.132 210 HD11 LEU 32 1HD1 LEU 32 -7.567 -17.008 -8.198 211 HD12 LEU 32 2HD1 LEU 32 -6.473 -18.327 -8.617 212 HD13 LEU 32 3HD1 LEU 32 -5.839 -16.701 -8.363 213 HD21 LEU 32 1HD2 LEU 32 -5.773 -19.431 -5.431 214 HD22 LEU 32 2HD2 LEU 32 -4.499 -18.726 -6.428 215 HD23 LEU 32 3HD2 LEU 32 -5.778 -19.683 -7.177 216 H SER 33 H SER 33 -8.690 -13.948 -5.114 217 HA SER 33 HA SER 33 -9.729 -15.783 -3.093 218 HB2 SER 33 1HB SER 33 -11.306 -13.976 -2.556 219 HB3 SER 33 2HB SER 33 -9.645 -13.383 -2.550 220 HG SER 33 HG SER 33 -10.047 -12.620 -4.708 221 H ASN 34 H ASN 34 -10.348 -17.460 -4.552 222 HA ASN 34 HA ASN 34 -12.163 -17.052 -6.689 223 HB2 ASN 34 1HB ASN 34 -12.558 -19.614 -6.270 224 HB3 ASN 34 2HB ASN 34 -11.009 -19.051 -6.891 225 HD21 ASN 34 1HD2 ASN 34 -12.326 -18.939 -3.614 226 HD22 ASN 34 2HD2 ASN 34 -11.076 -19.887 -2.892 227 H GLY 35 H GLY 35 -12.579 -17.065 -3.322 228 HA2 GLY 35 1HA GLY 35 -15.407 -17.816 -3.496 229 HA3 GLY 35 2HA GLY 35 -14.487 -17.596 -2.016 230 H THR 36 H THR 36 -13.861 -15.366 -1.463 231 HA THR 36 HA THR 36 -16.111 -13.596 -1.881 232 HB THR 36 HB THR 36 -14.522 -12.088 -0.370 233 HG1 THR 36 1HG THR 36 -12.883 -13.900 -0.626 234 HG21 THR 36 1HG2 THR 36 -15.945 -12.617 1.301 235 HG22 THR 36 2HG2 THR 36 -15.602 -14.343 1.181 236 HG23 THR 36 3HG2 THR 36 -16.740 -13.590 0.065 237 H ASP 37 H ASP 37 -16.065 -11.587 -2.849 238 HA ASP 37 HA ASP 37 -13.737 -11.087 -4.577 239 HB2 ASP 37 1HB ASP 37 -15.162 -10.129 -6.166 240 HB3 ASP 37 2HB ASP 37 -16.106 -11.478 -5.542 241 H VAL 38 H VAL 38 -12.797 -9.067 -4.678 242 HA VAL 38 HA VAL 38 -13.127 -7.428 -2.324 243 HB VAL 38 HB VAL 38 -11.323 -6.899 -4.685 244 HG11 VAL 38 1HG1 VAL 38 -9.963 -5.809 -2.807 245 HG12 VAL 38 2HG1 VAL 38 -11.411 -4.969 -3.365 246 HG13 VAL 38 3HG1 VAL 38 -11.449 -5.889 -1.861 247 HG21 VAL 38 1HG2 VAL 38 -10.877 -9.134 -3.856 248 HG22 VAL 38 2HG2 VAL 38 -9.565 -8.048 -3.399 249 HG23 VAL 38 3HG2 VAL 38 -10.772 -8.525 -2.204 250 H THR 39 H THR 39 -13.685 -5.239 -2.284 251 HA THR 39 HA THR 39 -15.058 -4.243 -4.694 252 HB THR 39 HB THR 39 -16.752 -3.200 -3.308 253 HG1 THR 39 1HG THR 39 -16.698 -3.887 -0.982 254 HG21 THR 39 1HG2 THR 39 -17.627 -5.377 -2.146 255 HG22 THR 39 2HG2 THR 39 -16.269 -6.131 -2.982 256 HG23 THR 39 3HG2 THR 39 -17.518 -5.295 -3.904 257 H GLU 40 H GLU 40 -13.013 -3.567 -1.968 258 HA GLU 40 HA GLU 40 -12.250 -1.035 -3.186 259 HB2 GLU 40 1HB GLU 40 -13.452 -1.310 -0.448 260 HB3 GLU 40 2HB GLU 40 -12.300 -0.026 -0.790 261 HG2 GLU 40 1HG GLU 40 -15.044 -0.442 -1.890 262 HG3 GLU 40 2HG GLU 40 -14.345 0.991 -1.138 263 H TYR 41 H TYR 41 -10.373 -0.049 -1.838 264 HA TYR 41 HA TYR 41 -8.716 -2.110 -0.596 265 HB2 TYR 41 1HB TYR 41 -7.949 -0.533 -3.050 266 HB3 TYR 41 2HB TYR 41 -6.759 -1.308 -2.012 267 HD1 TYR 41 1HD TYR 41 -9.828 -2.070 -3.988 268 HD2 TYR 41 2HD TYR 41 -6.146 -3.511 -2.421 269 HE1 TYR 41 1HE TYR 41 -10.134 -4.176 -5.221 270 HE2 TYR 41 2HE TYR 41 -6.441 -5.621 -3.650 271 HH TYR 41 HH TYR 41 -7.771 -6.815 -4.964 272 H ARG 42 H ARG 42 -8.052 -1.307 1.271 273 HA ARG 42 HA ARG 42 -7.757 1.596 1.559 274 HB2 ARG 42 1HB ARG 42 -8.347 -0.643 3.438 275 HB3 ARG 42 2HB ARG 42 -7.515 0.771 4.072 276 HG2 ARG 42 1HG ARG 42 -9.322 2.201 3.451 277 HG3 ARG 42 2HG ARG 42 -10.117 0.896 2.570 278 HD2 ARG 42 1HD ARG 42 -10.329 -0.345 4.710 279 HD3 ARG 42 2HD ARG 42 -9.660 1.056 5.546 280 HE ARG 42 HE ARG 42 -11.792 2.023 4.121 281 HH11 ARG 42 1HH1 ARG 42 -11.317 -0.429 6.546 282 HH12 ARG 42 2HH1 ARG 42 -12.905 -0.257 7.217 283 HH21 ARG 42 1HH2 ARG 42 -13.885 2.259 4.996 284 HH22 ARG 42 2HH2 ARG 42 -14.365 1.272 6.334 285 H LEU 43 H LEU 43 -5.750 2.198 0.991 286 HA LEU 43 HA LEU 43 -3.474 0.586 1.896 287 HB2 LEU 43 1HB LEU 43 -3.346 1.005 -0.415 288 HB3 LEU 43 2HB LEU 43 -3.791 2.699 -0.212 289 HG LEU 43 HG LEU 43 -1.533 2.876 1.060 290 HD11 LEU 43 1HD1 LEU 43 -0.347 0.907 -0.680 291 HD12 LEU 43 2HD1 LEU 43 -1.485 0.159 0.441 292 HD13 LEU 43 3HD1 LEU 43 -0.153 1.137 1.058 293 HD21 LEU 43 1HD2 LEU 43 -1.336 4.128 -0.780 294 HD22 LEU 43 2HD2 LEU 43 -2.220 2.970 -1.773 295 HD23 LEU 43 3HD2 LEU 43 -0.496 2.743 -1.476 296 H GLU 44 H GLU 44 -2.469 1.181 3.690 297 HA GLU 44 HA GLU 44 -2.702 3.966 4.592 298 HB2 GLU 44 1HB GLU 44 -1.789 1.562 6.178 299 HB3 GLU 44 2HB GLU 44 -2.166 3.160 6.806 300 HG2 GLU 44 1HG GLU 44 -4.510 2.841 6.061 301 HG3 GLU 44 2HG GLU 44 -4.093 1.192 5.599 302 H TRP 45 H TRP 45 -0.941 5.230 4.958 303 HA TRP 45 HA TRP 45 1.717 4.046 4.565 304 HB2 TRP 45 1HB TRP 45 1.136 5.008 2.423 305 HB3 TRP 45 2HB TRP 45 0.650 6.518 3.187 306 HD1 TRP 45 HD TRP 45 2.770 7.868 4.472 307 HE1 TRP 45 1HE TRP 45 5.189 8.154 3.639 308 HE3 TRP 45 3HE TRP 45 2.929 4.022 1.107 309 HZ2 TRP 45 2HZ TRP 45 6.933 6.912 1.800 310 HZ3 TRP 45 3HZ TRP 45 5.010 3.639 -0.148 311 HH2 TRP 45 HH TRP 45 6.969 5.055 0.191 312 H GLY 46 H GLY 46 3.061 4.579 6.155 313 HA2 GLY 46 1HA GLY 46 2.917 7.224 7.370 314 HA3 GLY 46 2HA GLY 46 2.591 5.864 8.435 315 H GLY 47 H GLY 47 4.889 7.969 7.795 316 HA2 GLY 47 1HA GLY 47 7.250 6.906 7.107 317 HA3 GLY 47 2HA GLY 47 7.099 7.949 8.513 318 H VAL 48 H VAL 48 5.660 6.278 10.215 319 HA VAL 48 HA VAL 48 7.627 4.135 10.692 320 HB VAL 48 HB VAL 48 6.067 5.830 12.632 321 HG11 VAL 48 1HG1 VAL 48 5.798 3.845 13.727 322 HG12 VAL 48 2HG1 VAL 48 7.229 3.118 12.991 323 HG13 VAL 48 3HG1 VAL 48 7.405 4.282 14.306 324 HG21 VAL 48 1HG2 VAL 48 8.612 5.755 13.522 325 HG22 VAL 48 2HG2 VAL 48 8.880 5.572 11.788 326 HG23 VAL 48 3HG2 VAL 48 8.001 6.973 12.402 327 H GLU 49 H GLU 49 6.894 2.130 10.503 328 HA GLU 49 HA GLU 49 4.332 1.396 9.817 329 HB2 GLU 49 1HB GLU 49 4.955 -0.885 10.363 330 HB3 GLU 49 2HB GLU 49 6.310 -0.065 9.600 331 HG2 GLU 49 1HG GLU 49 7.304 0.307 11.820 332 HG3 GLU 49 2HG GLU 49 5.971 -0.591 12.542 333 H GLY 50 H GLY 50 5.610 2.108 12.959 334 HA2 GLY 50 1HA GLY 50 3.723 0.760 14.558 335 HA3 GLY 50 2HA GLY 50 4.646 2.175 15.042 336 H SER 51 H SER 51 3.546 3.782 12.816 337 HA SER 51 HA SER 51 0.744 4.031 13.660 338 HB2 SER 51 1HB SER 51 2.471 5.663 14.797 339 HB3 SER 51 2HB SER 51 2.367 6.516 13.257 340 HG SER 51 HG SER 51 -0.014 5.757 14.504 341 H MET 52 H MET 52 -0.389 3.707 11.864 342 HA MET 52 HA MET 52 0.364 5.208 9.454 343 HB2 MET 52 1HB MET 52 -0.558 2.329 9.472 344 HB3 MET 52 2HB MET 52 -0.206 3.291 8.044 345 HG2 MET 52 1HG MET 52 2.068 3.221 8.388 346 HG3 MET 52 2HG MET 52 1.902 2.904 10.113 347 HE1 MET 52 1HE MET 52 3.043 1.526 6.958 348 HE2 MET 52 2HE MET 52 2.369 -0.093 6.774 349 HE3 MET 52 3HE MET 52 1.349 1.321 6.510 350 H GLN 53 H GLN 53 -1.429 5.499 7.934 351 HA GLN 53 HA GLN 53 -4.105 5.050 8.969 352 HB2 GLN 53 1HB GLN 53 -2.907 7.786 8.602 353 HB3 GLN 53 2HB GLN 53 -4.644 7.520 8.540 354 HG2 GLN 53 1HG GLN 53 -2.924 6.730 10.874 355 HG3 GLN 53 2HG GLN 53 -3.752 8.281 10.747 356 HE21 GLN 53 1HE2 GLN 53 -4.390 6.920 12.877 357 HE22 GLN 53 2HE2 GLN 53 -5.933 6.157 12.739 358 H ILE 54 H ILE 54 -5.787 5.706 7.385 359 HA ILE 54 HA ILE 54 -5.325 4.626 4.875 360 HB ILE 54 HB ILE 54 -7.428 6.679 5.574 361 HG12 ILE 54 1HG1 ILE 54 -7.385 4.683 7.076 362 HG13 ILE 54 2HG1 ILE 54 -8.865 4.819 6.133 363 HG21 ILE 54 1HG2 ILE 54 -6.830 5.166 3.163 364 HG22 ILE 54 2HG2 ILE 54 -8.484 4.935 3.728 365 HG23 ILE 54 3HG2 ILE 54 -7.886 6.559 3.393 366 HD11 ILE 54 1HD1 ILE 54 -8.157 2.532 6.180 367 HD12 ILE 54 2HD1 ILE 54 -7.946 3.162 4.546 368 HD13 ILE 54 3HD1 ILE 54 -6.550 2.973 5.607 369 H CYS 55 H CYS 55 -4.365 5.337 3.090 370 HA CYS 55 HA CYS 55 -3.765 8.212 2.882 371 HB2 CYS 55 1HB CYS 55 -1.810 6.651 3.080 372 HB3 CYS 55 2HB CYS 55 -2.293 5.934 1.547 373 HG CYS 55 HG CYS 55 -0.557 7.459 0.387 374 H TYR 56 H TYR 56 -4.828 5.362 1.096 375 HA TYR 56 HA TYR 56 -6.159 7.122 -0.821 376 HB2 TYR 56 1HB TYR 56 -4.141 6.632 -1.994 377 HB3 TYR 56 2HB TYR 56 -4.212 4.931 -1.544 378 HD1 TYR 56 2HD TYR 56 -6.034 3.493 -2.539 379 HD2 TYR 56 1HD TYR 56 -5.186 7.413 -3.957 380 HE1 TYR 56 2HE TYR 56 -7.216 2.983 -4.635 381 HE2 TYR 56 1HE TYR 56 -6.366 6.916 -6.057 382 HH TYR 56 HH TYR 56 -7.549 5.424 -7.195 383 H CYS 57 H CYS 57 -8.042 6.299 -1.678 384 HA CYS 57 HA CYS 57 -8.806 3.571 -0.921 385 HB2 CYS 57 1HB CYS 57 -10.873 5.707 -0.681 386 HB3 CYS 57 2HB CYS 57 -10.730 4.183 0.186 387 HG CYS 57 HG CYS 57 -8.592 6.780 0.772 388 H GLY 58 H GLY 58 -10.356 2.594 -2.263 389 HA2 GLY 58 1HA GLY 58 -12.047 3.140 -4.084 390 HA3 GLY 58 2HA GLY 58 -10.703 3.976 -4.848 391 HA PRO 59 HA PRO 59 -10.950 -0.593 -6.095 392 HB2 PRO 59 1HB PRO 59 -11.761 -0.224 -8.660 393 HB3 PRO 59 2HB PRO 59 -12.890 -0.440 -7.316 394 HG2 PRO 59 1HG PRO 59 -12.003 2.085 -8.656 395 HG3 PRO 59 2HG PRO 59 -13.629 1.605 -8.142 396 HD2 PRO 59 1HD PRO 59 -12.087 3.298 -6.698 397 HD3 PRO 59 2HD PRO 59 -13.242 2.181 -5.943 398 H GLY 60 H GLY 60 -9.427 2.292 -6.987 399 HA2 GLY 60 1HA GLY 60 -7.898 1.648 -9.204 400 HA3 GLY 60 2HA GLY 60 -7.371 2.721 -7.917 401 H LEU 61 H LEU 61 -5.685 0.987 -9.414 402 HA LEU 61 HA LEU 61 -4.756 -0.777 -7.250 403 HB2 LEU 61 1HB LEU 61 -4.466 -1.382 -10.182 404 HB3 LEU 61 2HB LEU 61 -4.083 -2.436 -8.823 405 HG LEU 61 HG LEU 61 -6.897 -1.526 -9.321 406 HD11 LEU 61 1HD1 LEU 61 -7.118 -2.768 -11.141 407 HD12 LEU 61 2HD1 LEU 61 -6.438 -4.167 -10.312 408 HD13 LEU 61 3HD1 LEU 61 -5.375 -3.034 -11.144 409 HD21 LEU 61 1HD2 LEU 61 -7.289 -3.809 -8.265 410 HD22 LEU 61 2HD2 LEU 61 -6.647 -2.543 -7.219 411 HD23 LEU 61 3HD2 LEU 61 -5.573 -3.790 -7.855 412 H SER 62 H SER 62 -4.030 1.982 -8.017 413 HA SER 62 HA SER 62 -1.224 1.751 -7.757 414 HB2 SER 62 1HB SER 62 -0.652 2.885 -9.955 415 HB3 SER 62 2HB SER 62 -1.142 1.196 -10.076 416 HG SER 62 HG SER 62 -2.144 2.698 -11.606 417 H TYR 63 H TYR 63 -0.509 3.527 -6.765 418 HA TYR 63 HA TYR 63 -1.852 6.085 -7.237 419 HB2 TYR 63 1HB TYR 63 -2.988 5.233 -5.293 420 HB3 TYR 63 2HB TYR 63 -1.463 4.804 -4.528 421 HD1 TYR 63 1HD TYR 63 -2.849 7.895 -6.125 422 HD2 TYR 63 2HD TYR 63 -0.962 6.151 -2.733 423 HE1 TYR 63 1HE TYR 63 -2.784 10.099 -5.036 424 HE2 TYR 63 2HE TYR 63 -0.893 8.350 -1.634 425 HH TYR 63 HH TYR 63 -2.069 11.266 -3.282 426 H GLU 64 H GLU 64 -0.592 7.917 -6.779 427 HA GLU 64 HA GLU 64 2.279 7.341 -6.466 428 HB2 GLU 64 1HB GLU 64 1.896 8.276 -8.621 429 HB3 GLU 64 2HB GLU 64 0.841 9.522 -7.969 430 HG2 GLU 64 1HG GLU 64 2.753 10.541 -6.834 431 HG3 GLU 64 2HG GLU 64 3.807 9.301 -7.510 432 H ILE 65 H ILE 65 2.979 7.795 -4.490 433 HA ILE 65 HA ILE 65 1.675 9.881 -2.920 434 HB ILE 65 HB ILE 65 3.637 7.711 -2.223 435 HG12 ILE 65 1HG1 ILE 65 1.010 8.347 -0.900 436 HG13 ILE 65 2HG1 ILE 65 1.073 7.399 -2.381 437 HG21 ILE 65 1HG2 ILE 65 2.947 10.182 -0.690 438 HG22 ILE 65 2HG2 ILE 65 3.308 8.683 0.164 439 HG23 ILE 65 3HG2 ILE 65 4.511 9.398 -0.909 440 HD11 ILE 65 1HD1 ILE 65 1.014 5.813 -0.689 441 HD12 ILE 65 2HD1 ILE 65 2.722 5.905 -1.116 442 HD13 ILE 65 3HD1 ILE 65 2.130 6.719 0.331 443 H LYS 66 H LYS 66 2.536 11.821 -2.537 444 HA LYS 66 HA LYS 66 5.397 12.235 -3.061 445 HB2 LYS 66 1HB LYS 66 3.093 13.863 -4.125 446 HB3 LYS 66 2HB LYS 66 4.729 14.501 -4.030 447 HG2 LYS 66 1HG LYS 66 5.488 12.617 -5.455 448 HG3 LYS 66 2HG LYS 66 3.802 12.127 -5.633 449 HD2 LYS 66 1HD LYS 66 4.834 14.861 -6.370 450 HD3 LYS 66 2HD LYS 66 4.712 13.522 -7.513 451 HE2 LYS 66 1HE LYS 66 2.359 13.450 -7.323 452 HE3 LYS 66 2HE LYS 66 2.367 14.481 -5.894 453 HZ1 LYS 66 1HZ LYS 66 3.507 15.599 -8.333 454 HZ2 LYS 66 2HZ LYS 66 2.587 16.347 -7.127 455 HZ3 LYS 66 3HZ LYS 66 1.827 15.399 -8.305 456 H GLY 67 H GLY 67 6.030 14.538 -2.269 457 HA2 GLY 67 1HA GLY 67 6.056 16.143 -0.596 458 HA3 GLY 67 2HA GLY 67 4.485 15.563 -0.061 459 H LEU 68 H LEU 68 7.320 13.527 -0.441 460 HA LEU 68 HA LEU 68 7.160 12.870 2.401 461 HB2 LEU 68 1HB LEU 68 8.846 11.555 0.282 462 HB3 LEU 68 2HB LEU 68 8.456 10.929 1.883 463 HG LEU 68 HG LEU 68 6.366 11.382 -0.235 464 HD11 LEU 68 1HD1 LEU 68 6.532 9.061 -0.825 465 HD12 LEU 68 2HD1 LEU 68 7.805 8.803 0.368 466 HD13 LEU 68 3HD1 LEU 68 8.111 9.815 -1.043 467 HD21 LEU 68 1HD2 LEU 68 5.071 9.832 1.116 468 HD22 LEU 68 2HD2 LEU 68 5.593 11.209 2.087 469 HD23 LEU 68 3HD2 LEU 68 6.419 9.657 2.240 470 H SER 69 H SER 69 9.560 12.119 3.162 471 HA SER 69 HA SER 69 11.296 14.461 2.718 472 HB2 SER 69 1HB SER 69 10.132 14.255 5.002 473 HB3 SER 69 2HB SER 69 11.215 12.895 5.294 474 HG SER 69 HG SER 69 11.974 15.565 4.698 475 HA PRO 70 HA PRO 70 14.417 11.616 1.470 476 HB2 PRO 70 1HB PRO 70 16.599 13.174 1.896 477 HB3 PRO 70 2HB PRO 70 15.484 13.430 0.548 478 HG2 PRO 70 1HG PRO 70 15.630 14.848 3.181 479 HG3 PRO 70 2HG PRO 70 15.384 15.522 1.558 480 HD2 PRO 70 1HD PRO 70 13.345 15.126 3.295 481 HD3 PRO 70 2HD PRO 70 13.144 14.984 1.538 482 H ALA 71 H ALA 71 16.244 10.420 2.279 483 HA ALA 71 HA ALA 71 17.098 9.041 3.901 484 HB1 ALA 71 1HB ALA 71 18.552 10.148 5.417 485 HB2 ALA 71 2HB ALA 71 18.528 11.108 3.937 486 HB3 ALA 71 3HB ALA 71 17.604 11.634 5.344 487 H THR 72 H THR 72 14.503 8.806 4.194 488 HA THR 72 HA THR 72 14.147 8.688 7.088 489 HB THR 72 HB THR 72 12.059 9.902 5.268 490 HG1 THR 72 1HG THR 72 13.751 11.040 7.259 491 HG21 THR 72 1HG2 THR 72 10.649 10.082 7.121 492 HG22 THR 72 2HG2 THR 72 11.962 9.805 8.266 493 HG23 THR 72 3HG2 THR 72 11.344 8.470 7.293 494 H THR 73 H THR 73 13.030 6.923 7.768 495 HA THR 73 HA THR 73 12.527 4.852 5.840 496 HB THR 73 HB THR 73 11.812 4.742 8.767 497 HG1 THR 73 1HG THR 73 14.139 5.358 8.037 498 HG21 THR 73 1HG2 THR 73 11.764 2.883 6.581 499 HG22 THR 73 2HG2 THR 73 11.231 2.654 8.247 500 HG23 THR 73 3HG2 THR 73 12.908 2.334 7.805 501 H TYR 74 H TYR 74 10.596 4.018 5.177 502 HA TYR 74 HA TYR 74 8.133 5.191 6.255 503 HB2 TYR 74 1HB TYR 74 8.987 5.149 3.367 504 HB3 TYR 74 2HB TYR 74 7.294 5.272 3.832 505 HD1 TYR 74 1HD TYR 74 6.530 7.251 5.160 506 HD2 TYR 74 2HD TYR 74 10.428 7.029 3.469 507 HE1 TYR 74 1HE TYR 74 6.773 9.686 5.415 508 HE2 TYR 74 2HE TYR 74 10.683 9.462 3.721 509 HH TYR 74 HH TYR 74 8.300 11.393 5.423 510 H TYR 75 H TYR 75 6.187 3.969 5.634 511 HA TYR 75 HA TYR 75 6.678 1.209 4.805 512 HB2 TYR 75 1HB TYR 75 5.127 1.865 7.314 513 HB3 TYR 75 2HB TYR 75 5.514 0.265 6.692 514 HD1 TYR 75 1HD TYR 75 7.059 3.353 8.068 515 HD2 TYR 75 2HD TYR 75 7.491 -0.816 7.336 516 HE1 TYR 75 1HE TYR 75 9.119 3.338 9.411 517 HE2 TYR 75 2HE TYR 75 9.552 -0.843 8.679 518 HH TYR 75 HH TYR 75 10.708 2.074 10.332 519 H CYS 76 H CYS 76 4.670 0.038 4.316 520 HA CYS 76 HA CYS 76 2.223 1.522 4.056 521 HB2 CYS 76 1HB CYS 76 2.070 1.487 1.645 522 HB3 CYS 76 2HB CYS 76 3.545 2.329 2.105 523 HG CYS 76 HG CYS 76 3.553 -0.961 1.186 524 H ARG 77 H ARG 77 0.452 0.209 3.730 525 HA ARG 77 HA ARG 77 0.896 -2.615 3.130 526 HB2 ARG 77 1HB ARG 77 -0.457 -3.319 5.072 527 HB3 ARG 77 2HB ARG 77 1.036 -2.523 5.551 528 HG2 ARG 77 1HG ARG 77 -0.254 -0.433 5.903 529 HG3 ARG 77 2HG ARG 77 -1.729 -1.337 5.560 530 HD2 ARG 77 1HD ARG 77 -1.343 -2.778 7.451 531 HD3 ARG 77 2HD ARG 77 0.227 -2.030 7.747 532 HE ARG 77 HE ARG 77 -1.666 -0.006 7.853 533 HH11 ARG 77 1HH1 ARG 77 -0.909 -2.931 9.583 534 HH12 ARG 77 2HH1 ARG 77 -1.541 -2.357 11.091 535 HH21 ARG 77 1HH2 ARG 77 -2.503 0.760 9.831 536 HH22 ARG 77 2HH2 ARG 77 -2.448 -0.258 11.230 537 H VAL 78 H VAL 78 -0.652 -3.426 1.858 538 HA VAL 78 HA VAL 78 -3.074 -1.805 1.450 539 HB VAL 78 HB VAL 78 -1.681 -2.064 -0.549 540 HG11 VAL 78 1HG1 VAL 78 -1.261 -4.637 0.387 541 HG12 VAL 78 2HG1 VAL 78 -2.259 -4.860 -1.051 542 HG13 VAL 78 3HG1 VAL 78 -0.731 -3.984 -1.163 543 HG21 VAL 78 1HG2 VAL 78 -4.088 -3.772 -1.031 544 HG22 VAL 78 2HG2 VAL 78 -4.282 -2.095 -0.521 545 HG23 VAL 78 3HG2 VAL 78 -3.424 -2.468 -2.016 546 H GLN 79 H GLN 79 -5.071 -2.685 1.667 547 HA GLN 79 HA GLN 79 -5.222 -5.545 2.352 548 HB2 GLN 79 1HB GLN 79 -6.855 -5.078 4.049 549 HB3 GLN 79 2HB GLN 79 -5.452 -4.060 4.346 550 HG2 GLN 79 1HG GLN 79 -6.557 -2.135 3.816 551 HG3 GLN 79 2HG GLN 79 -7.683 -2.949 2.732 552 HE21 GLN 79 1HE2 GLN 79 -9.193 -4.500 3.854 553 HE22 GLN 79 2HE2 GLN 79 -9.877 -3.972 5.350 554 H ALA 80 H ALA 80 -7.235 -6.590 1.876 555 HA ALA 80 HA ALA 80 -8.637 -5.321 -0.376 556 HB1 ALA 80 1HB ALA 80 -7.794 -8.076 0.207 557 HB2 ALA 80 2HB ALA 80 -9.398 -7.912 -0.508 558 HB3 ALA 80 3HB ALA 80 -7.991 -7.249 -1.339 559 H LEU 81 H LEU 81 -10.643 -4.635 -0.062 560 HA LEU 81 HA LEU 81 -12.089 -5.493 2.326 561 HB2 LEU 81 1HB LEU 81 -12.573 -3.265 0.359 562 HB3 LEU 81 2HB LEU 81 -13.644 -3.635 1.708 563 HG LEU 81 HG LEU 81 -11.377 -3.313 3.074 564 HD11 LEU 81 1HD1 LEU 81 -11.050 -1.491 0.694 565 HD12 LEU 81 2HD1 LEU 81 -10.039 -2.887 1.063 566 HD13 LEU 81 3HD1 LEU 81 -10.058 -1.500 2.152 567 HD21 LEU 81 1HD2 LEU 81 -13.502 -2.119 3.408 568 HD22 LEU 81 2HD2 LEU 81 -13.085 -1.032 2.084 569 HD23 LEU 81 3HD2 LEU 81 -12.106 -1.051 3.552 570 H SER 82 H SER 82 -13.875 -6.723 2.289 571 HA SER 82 HA SER 82 -15.022 -7.396 -0.342 572 HB2 SER 82 1HB SER 82 -15.437 -9.662 0.481 573 HB3 SER 82 2HB SER 82 -13.720 -9.275 0.602 574 HG SER 82 HG SER 82 -15.622 -9.617 2.618 575 H VAL 83 H VAL 83 -17.215 -8.755 0.282 576 HA VAL 83 HA VAL 83 -18.888 -6.734 1.541 577 HB VAL 83 HB VAL 83 -20.782 -8.078 0.699 578 HG11 VAL 83 1HG1 VAL 83 -18.638 -7.032 -1.065 579 HG12 VAL 83 2HG1 VAL 83 -19.962 -7.921 -1.822 580 HG13 VAL 83 3HG1 VAL 83 -20.302 -6.485 -0.855 581 HG21 VAL 83 1HG2 VAL 83 -19.670 -10.278 0.849 582 HG22 VAL 83 2HG2 VAL 83 -20.410 -9.996 -0.727 583 HG23 VAL 83 3HG2 VAL 83 -18.664 -9.839 -0.532 584 H VAL 84 H VAL 84 -17.485 -9.764 2.293 585 HA VAL 84 HA VAL 84 -19.390 -10.288 4.450 586 HB VAL 84 HB VAL 84 -18.362 -12.076 2.823 587 HG11 VAL 84 1HG1 VAL 84 -16.290 -12.060 5.011 588 HG12 VAL 84 2HG1 VAL 84 -16.364 -13.131 3.610 589 HG13 VAL 84 3HG1 VAL 84 -16.022 -11.413 3.393 590 HG21 VAL 84 1HG2 VAL 84 -19.926 -12.583 4.606 591 HG22 VAL 84 2HG2 VAL 84 -18.634 -13.783 4.577 592 HG23 VAL 84 3HG2 VAL 84 -18.627 -12.509 5.797 593 H GLY 85 H GLY 85 -16.577 -8.578 3.983 594 HA2 GLY 85 1HA GLY 85 -16.038 -7.429 6.227 595 HA3 GLY 85 2HA GLY 85 -15.609 -9.060 6.721 596 H ALA 86 H ALA 86 -14.113 -6.412 6.228 597 HA ALA 86 HA ALA 86 -12.356 -6.614 4.106 598 HB1 ALA 86 1HB ALA 86 -11.970 -4.641 5.105 599 HB2 ALA 86 2HB ALA 86 -12.351 -5.262 6.711 600 HB3 ALA 86 3HB ALA 86 -10.756 -5.542 6.013 601 H GLY 87 H GLY 87 -10.039 -7.201 4.134 602 HA2 GLY 87 1HA GLY 87 -9.674 -9.742 5.586 603 HA3 GLY 87 2HA GLY 87 -8.917 -9.341 4.050 604 HA PRO 88 HA PRO 88 -5.945 -8.566 7.589 605 HB2 PRO 88 1HB PRO 88 -3.985 -10.206 6.671 606 HB3 PRO 88 2HB PRO 88 -5.287 -10.762 7.730 607 HG2 PRO 88 1HG PRO 88 -5.025 -11.011 4.758 608 HG3 PRO 88 2HG PRO 88 -5.571 -12.217 5.937 609 HD2 PRO 88 1HD PRO 88 -7.292 -10.783 4.415 610 HD3 PRO 88 2HD PRO 88 -7.691 -11.320 6.060 611 H PHE 89 H PHE 89 -3.591 -7.878 7.319 612 HA PHE 89 HA PHE 89 -3.396 -6.228 4.900 613 HB2 PHE 89 1HB PHE 89 -2.388 -5.931 7.700 614 HB3 PHE 89 2HB PHE 89 -1.519 -5.132 6.394 615 HD1 PHE 89 2HD PHE 89 -2.564 -3.342 5.116 616 HD2 PHE 89 1HD PHE 89 -4.569 -5.200 8.379 617 HE1 PHE 89 2HE PHE 89 -4.174 -1.482 5.181 618 HE2 PHE 89 1HE PHE 89 -6.182 -3.344 8.449 619 HZ PHE 89 HZ PHE 89 -5.986 -1.481 6.850 620 H SER 90 H SER 90 -1.715 -6.388 3.512 621 HA SER 90 HA SER 90 -0.242 -8.746 3.341 622 HB2 SER 90 1HB SER 90 1.088 -7.578 1.608 623 HB3 SER 90 2HB SER 90 -0.644 -7.319 1.399 624 HG SER 90 HG SER 90 1.122 -5.516 2.700 625 H GLU 91 H GLU 91 2.332 -8.424 2.962 626 HA GLU 91 HA GLU 91 3.368 -8.051 5.611 627 HB2 GLU 91 1HB GLU 91 4.460 -8.989 2.999 628 HB3 GLU 91 2HB GLU 91 5.597 -8.455 4.229 629 HG2 GLU 91 1HG GLU 91 3.532 -10.619 4.560 630 HG3 GLU 91 2HG GLU 91 5.258 -10.863 4.301 631 H VAL 92 H VAL 92 3.930 -6.155 6.428 632 HA VAL 92 HA VAL 92 3.965 -3.716 5.250 633 HB VAL 92 HB VAL 92 5.809 -4.647 7.454 634 HG11 VAL 92 1HG1 VAL 92 6.062 -2.311 8.050 635 HG12 VAL 92 2HG1 VAL 92 6.606 -2.574 6.392 636 HG13 VAL 92 3HG1 VAL 92 5.035 -1.832 6.698 637 HG21 VAL 92 1HG2 VAL 92 3.205 -3.145 7.649 638 HG22 VAL 92 2HG2 VAL 92 3.345 -4.893 7.825 639 HG23 VAL 92 3HG2 VAL 92 4.156 -3.823 8.970 640 H VAL 93 H VAL 93 5.164 -2.657 3.808 641 HA VAL 93 HA VAL 93 7.739 -3.842 3.012 642 HB VAL 93 HB VAL 93 6.044 -1.948 1.385 643 HG11 VAL 93 1HG1 VAL 93 7.999 -1.807 0.283 644 HG12 VAL 93 2HG1 VAL 93 8.637 -3.280 1.016 645 HG13 VAL 93 3HG1 VAL 93 7.540 -3.384 -0.361 646 HG21 VAL 93 1HG2 VAL 93 5.759 -4.259 0.085 647 HG22 VAL 93 2HG2 VAL 93 5.906 -4.888 1.726 648 HG23 VAL 93 3HG2 VAL 93 4.634 -3.730 1.337 649 H ALA 94 H ALA 94 9.298 -2.820 4.129 650 HA ALA 94 HA ALA 94 9.152 -0.032 4.796 651 HB1 ALA 94 1HB ALA 94 11.568 -0.471 5.542 652 HB2 ALA 94 2HB ALA 94 10.272 -1.317 6.388 653 HB3 ALA 94 3HB ALA 94 11.229 -2.162 5.170 654 H CYS 95 H CYS 95 10.449 1.645 4.017 655 HA CYS 95 HA CYS 95 12.276 1.214 1.836 656 HB2 CYS 95 1HB CYS 95 11.078 2.512 0.173 657 HB3 CYS 95 2HB CYS 95 10.076 1.161 0.689 658 HG CYS 95 HG CYS 95 8.073 2.796 0.779 659 H VAL 96 H VAL 96 13.845 2.680 1.965 660 HA VAL 96 HA VAL 96 13.328 5.129 3.516 661 HB VAL 96 HB VAL 96 15.992 3.806 2.987 662 HG11 VAL 96 1HG1 VAL 96 15.951 5.516 5.266 663 HG12 VAL 96 2HG1 VAL 96 16.913 5.657 3.794 664 HG13 VAL 96 3HG1 VAL 96 15.317 6.401 3.880 665 HG21 VAL 96 1HG2 VAL 96 15.616 3.544 5.639 666 HG22 VAL 96 2HG2 VAL 96 13.951 3.392 5.077 667 HG23 VAL 96 3HG2 VAL 96 15.190 2.297 4.467 668 H THR 97 H THR 97 13.220 6.949 2.396 669 HA THR 97 HA THR 97 13.902 7.106 -0.359 670 HB THR 97 HB THR 97 13.311 9.474 -0.202 671 HG1 THR 97 1HG THR 97 13.469 8.939 2.572 672 HG21 THR 97 1HG2 THR 97 11.192 8.802 -0.318 673 HG22 THR 97 2HG2 THR 97 11.128 8.684 1.442 674 HG23 THR 97 3HG2 THR 97 11.624 7.291 0.481 675 HA PRO 98 HA PRO 98 18.134 8.286 -0.206 676 HB2 PRO 98 1HB PRO 98 18.297 9.767 -2.476 677 HB3 PRO 98 2HB PRO 98 18.152 8.006 -2.486 678 HG2 PRO 98 1HG PRO 98 16.035 10.083 -2.890 679 HG3 PRO 98 2HG PRO 98 16.305 8.572 -3.780 680 HD2 PRO 98 1HD PRO 98 14.417 8.812 -1.853 681 HD3 PRO 98 2HD PRO 98 15.278 7.290 -2.162 682 HA PRO 99 HA PRO 99 18.387 12.262 1.687 683 HB2 PRO 99 1HB PRO 99 21.052 12.708 1.425 684 HB3 PRO 99 2HB PRO 99 20.381 11.549 2.579 685 HG2 PRO 99 1HG PRO 99 21.567 11.060 -0.126 686 HG3 PRO 99 2HG PRO 99 21.800 10.151 1.378 687 HD2 PRO 99 1HD PRO 99 20.124 9.322 -0.579 688 HD3 PRO 99 2HD PRO 99 19.817 9.002 1.140 689 H SER 100 H SER 100 18.118 14.323 1.051 690 HA SER 100 HA SER 100 18.877 15.008 -1.711 691 HB2 SER 100 1HB SER 100 16.496 15.096 -1.474 692 HB3 SER 100 2HB SER 100 16.618 16.011 0.029 693 HG SER 100 HG SER 100 16.251 17.065 -2.239 694 H SER 101 H SER 101 20.828 15.970 -1.545 695 HA SER 101 HA SER 101 20.957 18.573 -0.344 696 HB2 SER 101 1HB SER 101 21.459 16.878 1.534 697 HB3 SER 101 2HB SER 101 22.978 16.589 0.685 698 HG SER 101 HG SER 101 22.204 19.222 1.268 699 H GLY 102 H GLY 102 23.040 19.654 -0.794 700 HA2 GLY 102 1HA GLY 102 25.239 19.171 -2.022 701 HA3 GLY 102 2HA GLY 102 24.175 18.611 -3.304 702 HA PRO 103 HA PRO 103 24.895 23.371 -3.256 703 HB2 PRO 103 1HB PRO 103 27.107 23.576 -4.818 704 HB3 PRO 103 2HB PRO 103 27.183 23.470 -3.054 705 HG2 PRO 103 1HG PRO 103 27.586 21.322 -5.101 706 HG3 PRO 103 2HG PRO 103 28.517 21.654 -3.629 707 HD2 PRO 103 1HD PRO 103 26.647 19.700 -3.761 708 HD3 PRO 103 2HD PRO 103 26.979 20.603 -2.270 709 H SER 104 H SER 104 23.804 24.439 -4.794 710 HA SER 104 HA SER 104 22.927 23.069 -7.143 711 HB2 SER 104 1HB SER 104 21.531 24.711 -5.865 712 HB3 SER 104 2HB SER 104 22.580 25.997 -6.459 713 HG SER 104 HG SER 104 21.318 24.208 -8.236 714 H SER 105 H SER 105 25.120 25.777 -6.508 715 HA SER 105 HA SER 105 25.683 26.707 -8.994 716 HB2 SER 105 1HB SER 105 26.775 27.667 -7.082 717 HB3 SER 105 2HB SER 105 27.614 26.157 -6.732 718 HG SER 105 HG SER 105 29.138 27.036 -7.889 719 H GLY 106 H GLY 106 27.107 26.194 -10.679 720 HA2 GLY 106 1HA GLY 106 28.562 23.695 -10.639 721 HA3 GLY 106 2HA GLY 106 27.156 23.692 -11.693 Start of MODEL 4 1 H1 GLY 1 H GLY 1 -10.072 -27.894 15.579 2 HA2 GLY 1 1HA GLY 1 -9.173 -25.620 14.943 3 HA3 GLY 1 2HA GLY 1 -8.431 -26.950 14.065 4 H SER 2 H SER 2 -11.151 -24.670 13.894 5 HA SER 2 HA SER 2 -10.511 -23.945 11.211 6 HB2 SER 2 1HB SER 2 -12.642 -25.964 11.706 7 HB3 SER 2 2HB SER 2 -12.976 -24.711 10.511 8 HG SER 2 HG SER 2 -11.885 -25.983 9.240 9 H SER 3 H SER 3 -11.920 -22.270 10.376 10 HA SER 3 HA SER 3 -13.457 -20.933 12.507 11 HB2 SER 3 1HB SER 3 -11.501 -19.865 10.512 12 HB3 SER 3 2HB SER 3 -12.831 -18.831 11.030 13 HG SER 3 HG SER 3 -12.087 -18.888 13.088 14 H GLY 4 H GLY 4 -15.258 -19.617 11.817 15 HA2 GLY 4 1HA GLY 4 -16.442 -20.620 9.303 16 HA3 GLY 4 2HA GLY 4 -17.371 -20.204 10.735 17 H SER 5 H SER 5 -15.033 -18.693 8.507 18 HA SER 5 HA SER 5 -16.833 -16.383 8.321 19 HB2 SER 5 1HB SER 5 -15.045 -14.809 8.615 20 HB3 SER 5 2HB SER 5 -14.977 -15.933 9.973 21 HG SER 5 HG SER 5 -13.088 -16.583 9.321 22 H SER 6 H SER 6 -16.586 -15.128 6.403 23 HA SER 6 HA SER 6 -15.323 -16.636 4.212 24 HB2 SER 6 1HB SER 6 -17.680 -14.738 4.149 25 HB3 SER 6 2HB SER 6 -16.966 -15.501 2.728 26 HG SER 6 HG SER 6 -18.877 -16.492 4.057 27 H GLY 7 H GLY 7 -14.010 -15.601 2.748 28 HA2 GLY 7 1HA GLY 7 -13.726 -12.875 2.339 29 HA3 GLY 7 2HA GLY 7 -12.643 -13.282 3.662 30 HA PRO 8 HA PRO 8 -10.848 -14.253 -0.663 31 HB2 PRO 8 1HB PRO 8 -9.304 -12.045 -1.003 32 HB3 PRO 8 2HB PRO 8 -10.970 -12.153 -1.587 33 HG2 PRO 8 1HG PRO 8 -9.912 -10.857 0.896 34 HG3 PRO 8 2HG PRO 8 -11.130 -10.260 -0.245 35 HD2 PRO 8 1HD PRO 8 -11.786 -11.397 2.123 36 HD3 PRO 8 2HD PRO 8 -12.807 -11.545 0.678 37 H ASP 9 H ASP 9 -8.358 -14.110 -1.153 38 HA ASP 9 HA ASP 9 -7.033 -15.219 1.173 39 HB2 ASP 9 1HB ASP 9 -6.924 -16.138 -1.236 40 HB3 ASP 9 2HB ASP 9 -5.773 -14.838 -1.534 41 H GLN 10 H GLN 10 -4.845 -14.562 1.778 42 HA GLN 10 HA GLN 10 -4.615 -11.956 2.552 43 HB2 GLN 10 1HB GLN 10 -3.179 -13.880 3.293 44 HB3 GLN 10 2HB GLN 10 -2.258 -13.690 1.807 45 HG2 GLN 10 1HG GLN 10 -1.731 -11.366 2.495 46 HG3 GLN 10 2HG GLN 10 -2.538 -11.683 4.030 47 HE21 GLN 10 1HE2 GLN 10 0.212 -10.954 3.577 48 HE22 GLN 10 2HE2 GLN 10 1.179 -12.232 4.220 49 H CYS 11 H CYS 11 -3.211 -10.211 1.855 50 HA CYS 11 HA CYS 11 -3.187 -9.984 -1.069 51 HB2 CYS 11 1HB CYS 11 -3.363 -8.009 1.172 52 HB3 CYS 11 2HB CYS 11 -2.719 -7.485 -0.379 53 HG CYS 11 HG CYS 11 -5.731 -9.063 -0.252 54 H LYS 12 H LYS 12 -1.351 -9.725 -2.206 55 HA LYS 12 HA LYS 12 1.146 -10.276 -0.938 56 HB2 LYS 12 1HB LYS 12 0.356 -9.591 -3.762 57 HB3 LYS 12 2HB LYS 12 2.040 -9.792 -3.296 58 HG2 LYS 12 1HG LYS 12 0.033 -11.929 -2.706 59 HG3 LYS 12 2HG LYS 12 0.768 -11.792 -4.305 60 HD2 LYS 12 1HD LYS 12 3.007 -11.733 -2.997 61 HD3 LYS 12 2HD LYS 12 2.058 -12.417 -1.674 62 HE2 LYS 12 1HE LYS 12 2.041 -13.613 -4.429 63 HE3 LYS 12 2HE LYS 12 3.264 -14.043 -3.236 64 HZ1 LYS 12 1HZ LYS 12 0.569 -14.162 -2.234 65 HZ2 LYS 12 2HZ LYS 12 1.821 -15.292 -2.105 66 HZ3 LYS 12 3HZ LYS 12 0.865 -15.246 -3.500 67 HA PRO 13 HA PRO 13 2.640 -6.234 -0.087 68 HB2 PRO 13 1HB PRO 13 5.303 -6.575 -0.488 69 HB3 PRO 13 2HB PRO 13 4.448 -7.246 0.906 70 HG2 PRO 13 1HG PRO 13 5.262 -8.589 -1.643 71 HG3 PRO 13 2HG PRO 13 5.370 -9.189 0.023 72 HD2 PRO 13 1HD PRO 13 3.395 -9.938 -1.671 73 HD3 PRO 13 2HD PRO 13 3.147 -9.795 0.082 74 HA PRO 14 HA PRO 14 2.750 -4.289 -4.093 75 HB2 PRO 14 1HB PRO 14 2.910 -1.738 -3.180 76 HB3 PRO 14 2HB PRO 14 1.408 -2.670 -3.168 77 HG2 PRO 14 1HG PRO 14 3.338 -2.159 -0.937 78 HG3 PRO 14 2HG PRO 14 1.565 -2.126 -0.913 79 HD2 PRO 14 1HD PRO 14 2.994 -4.237 -0.003 80 HD3 PRO 14 2HD PRO 14 1.398 -4.419 -0.757 81 H GLN 15 H GLN 15 4.211 -2.990 -5.348 82 HA GLN 15 HA GLN 15 6.967 -3.130 -4.348 83 HB2 GLN 15 1HB GLN 15 6.081 -4.223 -6.582 84 HB3 GLN 15 2HB GLN 15 6.319 -2.600 -7.215 85 HG2 GLN 15 1HG GLN 15 8.612 -2.672 -6.897 86 HG3 GLN 15 2HG GLN 15 8.507 -3.980 -5.720 87 HE21 GLN 15 1HE2 GLN 15 8.371 -6.083 -6.419 88 HE22 GLN 15 2HE2 GLN 15 8.632 -6.547 -8.063 89 H VAL 16 H VAL 16 7.672 -1.283 -3.513 90 HA VAL 16 HA VAL 16 6.578 1.264 -4.316 91 HB VAL 16 HB VAL 16 8.431 2.113 -2.715 92 HG11 VAL 16 1HG1 VAL 16 6.033 2.047 -2.196 93 HG12 VAL 16 2HG1 VAL 16 6.204 0.374 -1.658 94 HG13 VAL 16 3HG1 VAL 16 7.022 1.671 -0.785 95 HG21 VAL 16 1HG2 VAL 16 9.487 0.608 -1.304 96 HG22 VAL 16 2HG2 VAL 16 8.336 -0.682 -1.651 97 HG23 VAL 16 3HG2 VAL 16 9.540 -0.227 -2.856 98 H THR 17 H THR 17 7.592 2.881 -5.440 99 HA THR 17 HA THR 17 10.255 2.304 -6.546 100 HB THR 17 HB THR 17 7.896 3.326 -8.140 101 HG1 THR 17 1HG THR 17 7.804 1.085 -7.860 102 HG21 THR 17 1HG2 THR 17 9.633 4.389 -9.190 103 HG22 THR 17 2HG2 THR 17 9.708 2.827 -10.007 104 HG23 THR 17 3HG2 THR 17 10.819 3.187 -8.685 105 H CYS 18 H CYS 18 11.250 3.811 -5.231 106 HA CYS 18 HA CYS 18 10.361 6.373 -4.632 107 HB2 CYS 18 1HB CYS 18 12.753 6.899 -4.186 108 HB3 CYS 18 2HB CYS 18 12.222 5.396 -3.442 109 HG CYS 18 HG CYS 18 14.770 5.889 -5.392 110 H ARG 19 H ARG 19 9.629 7.710 -6.178 111 HA ARG 19 HA ARG 19 10.774 7.893 -8.779 112 HB2 ARG 19 1HB ARG 19 8.770 9.584 -7.292 113 HB3 ARG 19 2HB ARG 19 9.291 9.960 -8.929 114 HG2 ARG 19 1HG ARG 19 8.182 7.266 -8.236 115 HG3 ARG 19 2HG ARG 19 7.126 8.630 -8.613 116 HD2 ARG 19 1HD ARG 19 7.410 7.531 -10.659 117 HD3 ARG 19 2HD ARG 19 8.525 8.893 -10.735 118 HE ARG 19 HE ARG 19 9.709 6.458 -9.758 119 HH11 ARG 19 1HH1 ARG 19 8.931 8.353 -12.573 120 HH12 ARG 19 2HH1 ARG 19 10.159 7.629 -13.560 121 HH21 ARG 19 1HH2 ARG 19 11.327 5.498 -11.048 122 HH22 ARG 19 2HH2 ARG 19 11.520 6.004 -12.691 123 H SER 20 H SER 20 11.033 9.811 -5.828 124 HA SER 20 HA SER 20 13.556 10.888 -6.687 125 HB2 SER 20 1HB SER 20 11.080 12.561 -6.700 126 HB3 SER 20 2HB SER 20 12.588 13.299 -6.161 127 HG SER 20 HG SER 20 11.926 13.249 -8.554 128 H ALA 21 H ALA 21 14.092 12.793 -4.960 129 HA ALA 21 HA ALA 21 14.522 11.543 -2.534 130 HB1 ALA 21 1HB ALA 21 14.260 14.442 -2.296 131 HB2 ALA 21 2HB ALA 21 15.655 13.400 -2.014 132 HB3 ALA 21 3HB ALA 21 15.265 13.927 -3.651 133 H THR 22 H THR 22 11.898 13.741 -3.453 134 HA THR 22 HA THR 22 10.508 12.999 -0.962 135 HB THR 22 HB THR 22 9.299 15.118 -1.082 136 HG1 THR 22 1HG THR 22 9.371 16.324 -2.826 137 HG21 THR 22 1HG2 THR 22 11.004 16.488 -0.277 138 HG22 THR 22 2HG2 THR 22 12.191 15.840 -1.409 139 HG23 THR 22 3HG2 THR 22 11.656 14.868 -0.038 140 H CYS 23 H CYS 23 10.432 11.453 -3.367 141 HA CYS 23 HA CYS 23 7.556 11.603 -3.900 142 HB2 CYS 23 1HB CYS 23 9.670 11.291 -6.042 143 HB3 CYS 23 2HB CYS 23 7.935 11.157 -6.298 144 HG CYS 23 HG CYS 23 9.817 13.923 -5.809 145 H ALA 24 H ALA 24 6.584 9.617 -4.453 146 HA ALA 24 HA ALA 24 8.164 7.212 -4.600 147 HB1 ALA 24 1HB ALA 24 7.656 6.229 -2.585 148 HB2 ALA 24 2HB ALA 24 7.858 7.913 -2.101 149 HB3 ALA 24 3HB ALA 24 6.240 7.246 -2.321 150 H GLN 25 H GLN 25 6.901 5.335 -5.110 151 HA GLN 25 HA GLN 25 4.100 5.853 -5.808 152 HB2 GLN 25 1HB GLN 25 5.557 6.195 -7.815 153 HB3 GLN 25 2HB GLN 25 6.060 4.516 -7.679 154 HG2 GLN 25 1HG GLN 25 3.961 3.709 -8.268 155 HG3 GLN 25 2HG GLN 25 3.167 5.241 -7.908 156 HE21 GLN 25 1HE2 GLN 25 2.391 4.406 -10.169 157 HE22 GLN 25 2HE2 GLN 25 3.208 5.124 -11.512 158 H VAL 26 H VAL 26 2.746 4.176 -5.451 159 HA VAL 26 HA VAL 26 3.964 1.645 -4.555 160 HB VAL 26 HB VAL 26 1.229 2.600 -3.739 161 HG11 VAL 26 1HG1 VAL 26 1.883 0.189 -3.497 162 HG12 VAL 26 2HG1 VAL 26 3.124 0.711 -2.356 163 HG13 VAL 26 3HG1 VAL 26 1.420 0.990 -1.995 164 HG21 VAL 26 1HG2 VAL 26 2.322 3.314 -1.596 165 HG22 VAL 26 2HG2 VAL 26 3.877 3.167 -2.416 166 HG23 VAL 26 3HG2 VAL 26 2.685 4.333 -2.989 167 H ASN 27 H ASN 27 3.113 -0.287 -5.266 168 HA ASN 27 HA ASN 27 0.858 -0.209 -7.128 169 HB2 ASN 27 1HB ASN 27 3.643 -1.146 -7.763 170 HB3 ASN 27 2HB ASN 27 2.253 -1.826 -8.603 171 HD21 ASN 27 1HD2 ASN 27 4.583 0.054 -9.281 172 HD22 ASN 27 2HD2 ASN 27 3.816 1.337 -10.149 173 H TRP 28 H TRP 28 -0.400 -2.017 -7.111 174 HA TRP 28 HA TRP 28 0.551 -4.421 -5.767 175 HB2 TRP 28 1HB TRP 28 -1.355 -4.516 -4.244 176 HB3 TRP 28 2HB TRP 28 -0.427 -3.045 -3.968 177 HD1 TRP 28 HD TRP 28 -3.799 -4.245 -5.327 178 HE1 TRP 28 1HE TRP 28 -5.398 -2.232 -5.450 179 HE3 TRP 28 3HE TRP 28 -0.491 -0.512 -4.207 180 HZ2 TRP 28 2HZ TRP 28 -5.273 0.568 -5.118 181 HZ3 TRP 28 3HZ TRP 28 -1.311 1.807 -4.132 182 HH2 TRP 28 HH TRP 28 -3.652 2.333 -4.578 183 H GLU 29 H GLU 29 -1.523 -6.003 -5.684 184 HA GLU 29 HA GLU 29 -3.079 -5.762 -8.140 185 HB2 GLU 29 1HB GLU 29 -0.978 -7.824 -7.629 186 HB3 GLU 29 2HB GLU 29 -2.429 -8.297 -8.503 187 HG2 GLU 29 1HG GLU 29 -0.707 -5.971 -9.309 188 HG3 GLU 29 2HG GLU 29 -0.474 -7.609 -9.916 189 H VAL 30 H VAL 30 -4.598 -7.740 -8.320 190 HA VAL 30 HA VAL 30 -5.814 -8.108 -5.682 191 HB VAL 30 HB VAL 30 -7.002 -8.743 -8.386 192 HG11 VAL 30 1HG1 VAL 30 -9.082 -8.933 -7.265 193 HG12 VAL 30 2HG1 VAL 30 -7.927 -9.894 -6.341 194 HG13 VAL 30 3HG1 VAL 30 -8.410 -8.299 -5.763 195 HG21 VAL 30 1HG2 VAL 30 -6.668 -6.209 -6.973 196 HG22 VAL 30 2HG2 VAL 30 -7.075 -6.521 -8.660 197 HG23 VAL 30 3HG2 VAL 30 -8.337 -6.550 -7.429 198 HA PRO 31 HA PRO 31 -4.485 -12.313 -5.485 199 HB2 PRO 31 1HB PRO 31 -6.217 -13.165 -3.574 200 HB3 PRO 31 2HB PRO 31 -4.818 -12.144 -3.218 201 HG2 PRO 31 1HG PRO 31 -7.690 -11.370 -3.566 202 HG3 PRO 31 2HG PRO 31 -6.521 -10.818 -2.352 203 HD2 PRO 31 1HD PRO 31 -7.155 -9.352 -4.539 204 HD3 PRO 31 2HD PRO 31 -5.542 -9.313 -3.797 205 H LEU 32 H LEU 32 -5.878 -14.527 -5.077 206 HA LEU 32 HA LEU 32 -7.600 -14.685 -7.432 207 HB2 LEU 32 1HB LEU 32 -5.597 -16.239 -6.893 208 HB3 LEU 32 2HB LEU 32 -6.723 -17.030 -5.792 209 HG LEU 32 HG LEU 32 -7.455 -16.660 -8.670 210 HD11 LEU 32 1HD1 LEU 32 -6.508 -18.965 -9.036 211 HD12 LEU 32 2HD1 LEU 32 -5.617 -18.751 -7.530 212 HD13 LEU 32 3HD1 LEU 32 -5.324 -17.666 -8.889 213 HD21 LEU 32 1HD2 LEU 32 -8.516 -18.950 -8.072 214 HD22 LEU 32 2HD2 LEU 32 -9.260 -17.469 -7.468 215 HD23 LEU 32 3HD2 LEU 32 -8.247 -18.444 -6.403 216 H SER 33 H SER 33 -9.459 -13.713 -6.502 217 HA SER 33 HA SER 33 -10.738 -15.145 -4.298 218 HB2 SER 33 1HB SER 33 -12.283 -13.271 -4.194 219 HB3 SER 33 2HB SER 33 -10.630 -12.658 -4.236 220 HG SER 33 HG SER 33 -11.169 -12.689 -6.686 221 H ASN 34 H ASN 34 -11.975 -16.816 -4.811 222 HA ASN 34 HA ASN 34 -13.342 -16.855 -7.402 223 HB2 ASN 34 1HB ASN 34 -13.789 -19.294 -6.710 224 HB3 ASN 34 2HB ASN 34 -12.132 -18.852 -7.113 225 HD21 ASN 34 1HD2 ASN 34 -10.598 -18.698 -5.474 226 HD22 ASN 34 2HD2 ASN 34 -10.853 -19.397 -3.915 227 H GLY 35 H GLY 35 -15.204 -15.717 -7.181 228 HA2 GLY 35 1HA GLY 35 -17.573 -16.426 -6.578 229 HA3 GLY 35 2HA GLY 35 -16.969 -16.431 -4.927 230 H THR 36 H THR 36 -15.797 -14.270 -4.362 231 HA THR 36 HA THR 36 -17.571 -12.087 -5.240 232 HB THR 36 HB THR 36 -17.854 -12.629 -2.873 233 HG1 THR 36 1HG THR 36 -18.091 -10.550 -2.612 234 HG21 THR 36 1HG2 THR 36 -16.082 -13.360 -1.727 235 HG22 THR 36 2HG2 THR 36 -15.529 -11.687 -1.659 236 HG23 THR 36 3HG2 THR 36 -14.963 -12.750 -2.947 237 H ASP 37 H ASP 37 -16.682 -9.995 -5.514 238 HA ASP 37 HA ASP 37 -13.811 -10.033 -6.148 239 HB2 ASP 37 1HB ASP 37 -14.358 -8.035 -7.579 240 HB3 ASP 37 2HB ASP 37 -15.117 -9.540 -8.094 241 H VAL 38 H VAL 38 -12.530 -8.171 -5.654 242 HA VAL 38 HA VAL 38 -12.962 -7.165 -3.047 243 HB VAL 38 HB VAL 38 -11.039 -6.117 -5.130 244 HG11 VAL 38 1HG1 VAL 38 -10.800 -4.533 -3.542 245 HG12 VAL 38 2HG1 VAL 38 -11.500 -5.542 -2.275 246 HG13 VAL 38 3HG1 VAL 38 -9.817 -5.765 -2.754 247 HG21 VAL 38 1HG2 VAL 38 -9.394 -7.602 -4.004 248 HG22 VAL 38 2HG2 VAL 38 -10.722 -8.319 -3.092 249 HG23 VAL 38 3HG2 VAL 38 -10.671 -8.477 -4.847 250 H THR 39 H THR 39 -14.292 -5.602 -2.445 251 HA THR 39 HA THR 39 -15.672 -3.928 -4.250 252 HB THR 39 HB THR 39 -16.539 -2.769 -2.283 253 HG1 THR 39 1HG THR 39 -14.807 -4.379 -0.705 254 HG21 THR 39 1HG2 THR 39 -16.337 -5.767 -2.042 255 HG22 THR 39 2HG2 THR 39 -17.638 -4.824 -2.768 256 HG23 THR 39 3HG2 THR 39 -17.388 -4.785 -1.023 257 H GLU 40 H GLU 40 -13.152 -3.140 -1.849 258 HA GLU 40 HA GLU 40 -12.137 -1.067 -3.622 259 HB2 GLU 40 1HB GLU 40 -12.382 0.731 -2.155 260 HB3 GLU 40 2HB GLU 40 -13.920 -0.109 -2.025 261 HG2 GLU 40 1HG GLU 40 -12.719 -1.324 -0.032 262 HG3 GLU 40 2HG GLU 40 -11.710 0.121 -0.053 263 H TYR 41 H TYR 41 -10.233 0.095 -2.275 264 HA TYR 41 HA TYR 41 -8.735 -1.941 -0.792 265 HB2 TYR 41 1HB TYR 41 -7.990 -0.718 -3.401 266 HB3 TYR 41 2HB TYR 41 -6.705 -0.956 -2.222 267 HD1 TYR 41 2HD TYR 41 -6.104 -3.227 -1.484 268 HD2 TYR 41 1HD TYR 41 -9.016 -2.581 -4.518 269 HE1 TYR 41 2HE TYR 41 -5.918 -5.585 -2.157 270 HE2 TYR 41 1HE TYR 41 -8.838 -4.936 -5.199 271 HH TYR 41 HH TYR 41 -7.303 -6.784 -5.055 272 H ARG 42 H ARG 42 -8.034 -1.096 1.045 273 HA ARG 42 HA ARG 42 -7.695 1.816 1.227 274 HB2 ARG 42 1HB ARG 42 -8.413 -0.316 3.194 275 HB3 ARG 42 2HB ARG 42 -7.616 1.139 3.777 276 HG2 ARG 42 1HG ARG 42 -9.513 2.302 2.339 277 HG3 ARG 42 2HG ARG 42 -10.338 0.777 2.668 278 HD2 ARG 42 1HD ARG 42 -9.591 1.213 5.120 279 HD3 ARG 42 2HD ARG 42 -9.402 2.880 4.578 280 HE ARG 42 HE ARG 42 -11.697 3.068 4.413 281 HH11 ARG 42 1HH1 ARG 42 -10.800 -0.244 5.004 282 HH12 ARG 42 2HH1 ARG 42 -12.418 -0.757 5.347 283 HH21 ARG 42 1HH2 ARG 42 -13.832 2.404 4.864 284 HH22 ARG 42 2HH2 ARG 42 -14.143 0.750 5.267 285 H LEU 43 H LEU 43 -5.669 2.470 0.948 286 HA LEU 43 HA LEU 43 -3.464 0.737 1.798 287 HB2 LEU 43 1HB LEU 43 -3.344 1.506 -0.480 288 HB3 LEU 43 2HB LEU 43 -3.537 3.180 0.035 289 HG LEU 43 HG LEU 43 -1.326 2.930 1.239 290 HD11 LEU 43 1HD1 LEU 43 -0.692 0.674 -0.578 291 HD12 LEU 43 2HD1 LEU 43 -1.579 0.311 0.902 292 HD13 LEU 43 3HD1 LEU 43 -0.003 1.098 0.989 293 HD21 LEU 43 1HD2 LEU 43 -1.380 2.642 -1.764 294 HD22 LEU 43 2HD2 LEU 43 -0.018 3.241 -0.814 295 HD23 LEU 43 3HD2 LEU 43 -1.532 4.146 -0.854 296 H GLU 44 H GLU 44 -2.460 1.116 3.651 297 HA GLU 44 HA GLU 44 -2.793 3.738 4.927 298 HB2 GLU 44 1HB GLU 44 -2.162 0.997 5.996 299 HB3 GLU 44 2HB GLU 44 -1.868 2.441 6.955 300 HG2 GLU 44 1HG GLU 44 -4.318 3.016 6.501 301 HG3 GLU 44 2HG GLU 44 -4.477 1.338 5.982 302 H TRP 45 H TRP 45 -1.173 5.122 4.747 303 HA TRP 45 HA TRP 45 1.580 4.117 4.881 304 HB2 TRP 45 1HB TRP 45 1.159 4.449 2.518 305 HB3 TRP 45 2HB TRP 45 0.520 6.062 2.822 306 HD1 TRP 45 HD TRP 45 2.600 7.574 4.341 307 HE1 TRP 45 1HE TRP 45 5.003 7.934 3.492 308 HE3 TRP 45 3HE TRP 45 2.882 3.689 1.030 309 HZ2 TRP 45 2HZ TRP 45 6.782 6.730 1.661 310 HZ3 TRP 45 3HZ TRP 45 4.969 3.363 -0.231 311 HH2 TRP 45 HH TRP 45 6.878 4.854 0.080 312 H GLY 46 H GLY 46 2.899 5.295 6.151 313 HA2 GLY 46 1HA GLY 46 2.154 8.048 6.823 314 HA3 GLY 46 2HA GLY 46 2.273 6.890 8.139 315 H GLY 47 H GLY 47 4.403 5.647 8.191 316 HA2 GLY 47 1HA GLY 47 6.742 6.494 6.990 317 HA3 GLY 47 2HA GLY 47 6.514 7.558 8.369 318 H VAL 48 H VAL 48 5.372 5.721 10.163 319 HA VAL 48 HA VAL 48 7.623 3.861 10.579 320 HB VAL 48 HB VAL 48 6.106 5.543 12.557 321 HG11 VAL 48 1HG1 VAL 48 7.438 2.914 12.986 322 HG12 VAL 48 2HG1 VAL 48 7.602 4.159 14.225 323 HG13 VAL 48 3HG1 VAL 48 6.000 3.592 13.752 324 HG21 VAL 48 1HG2 VAL 48 8.692 5.647 13.279 325 HG22 VAL 48 2HG2 VAL 48 8.876 5.340 11.552 326 HG23 VAL 48 3HG2 VAL 48 7.967 6.746 12.106 327 H GLU 49 H GLU 49 7.076 1.792 10.515 328 HA GLU 49 HA GLU 49 4.615 0.730 10.059 329 HB2 GLU 49 1HB GLU 49 5.491 -1.406 11.007 330 HB3 GLU 49 2HB GLU 49 6.579 -0.634 9.863 331 HG2 GLU 49 1HG GLU 49 8.044 -1.223 11.507 332 HG3 GLU 49 2HG GLU 49 7.623 0.410 12.020 333 H GLY 50 H GLY 50 5.899 1.809 13.108 334 HA2 GLY 50 1HA GLY 50 4.084 0.478 14.821 335 HA3 GLY 50 2HA GLY 50 4.990 1.932 15.213 336 H SER 51 H SER 51 3.929 3.587 13.155 337 HA SER 51 HA SER 51 1.075 3.715 13.838 338 HB2 SER 51 1HB SER 51 1.997 5.307 15.331 339 HB3 SER 51 2HB SER 51 3.120 5.914 14.115 340 HG SER 51 HG SER 51 1.072 7.144 14.616 341 H MET 52 H MET 52 -0.150 3.878 12.088 342 HA MET 52 HA MET 52 0.808 5.377 9.774 343 HB2 MET 52 1HB MET 52 -0.100 2.498 9.661 344 HB3 MET 52 2HB MET 52 0.076 3.529 8.248 345 HG2 MET 52 1HG MET 52 2.388 3.604 8.431 346 HG3 MET 52 2HG MET 52 2.366 3.103 10.120 347 HE1 MET 52 1HE MET 52 2.166 2.202 6.466 348 HE2 MET 52 2HE MET 52 2.037 0.444 6.409 349 HE3 MET 52 3HE MET 52 0.628 1.419 6.828 350 H GLN 53 H GLN 53 -0.996 5.514 8.078 351 HA GLN 53 HA GLN 53 -3.679 5.315 9.173 352 HB2 GLN 53 1HB GLN 53 -2.508 7.966 8.312 353 HB3 GLN 53 2HB GLN 53 -4.196 7.685 8.718 354 HG2 GLN 53 1HG GLN 53 -3.344 8.615 10.649 355 HG3 GLN 53 2HG GLN 53 -3.294 6.886 10.989 356 HE21 GLN 53 1HE2 GLN 53 -1.681 7.161 12.533 357 HE22 GLN 53 2HE2 GLN 53 -0.044 7.503 12.097 358 H ILE 54 H ILE 54 -5.342 5.899 7.536 359 HA ILE 54 HA ILE 54 -4.771 4.635 5.067 360 HB ILE 54 HB ILE 54 -7.160 6.367 5.695 361 HG12 ILE 54 1HG1 ILE 54 -6.738 4.568 7.397 362 HG13 ILE 54 2HG1 ILE 54 -8.265 4.408 6.538 363 HG21 ILE 54 1HG2 ILE 54 -8.077 5.646 3.781 364 HG22 ILE 54 2HG2 ILE 54 -6.422 5.251 3.319 365 HG23 ILE 54 3HG2 ILE 54 -7.470 4.005 3.995 366 HD11 ILE 54 1HD1 ILE 54 -6.027 2.969 5.319 367 HD12 ILE 54 2HD1 ILE 54 -6.492 2.405 6.925 368 HD13 ILE 54 3HD1 ILE 54 -7.685 2.452 5.627 369 H CYS 55 H CYS 55 -3.453 5.546 3.620 370 HA CYS 55 HA CYS 55 -3.339 8.409 3.266 371 HB2 CYS 55 1HB CYS 55 -1.414 6.629 3.069 372 HB3 CYS 55 2HB CYS 55 -1.995 6.479 1.415 373 HG CYS 55 HG CYS 55 -0.917 8.628 0.475 374 H TYR 56 H TYR 56 -4.385 5.608 1.362 375 HA TYR 56 HA TYR 56 -6.115 7.378 -0.193 376 HB2 TYR 56 1HB TYR 56 -4.288 7.264 -1.677 377 HB3 TYR 56 2HB TYR 56 -3.999 5.563 -1.330 378 HD1 TYR 56 2HD TYR 56 -5.422 3.831 -2.332 379 HD2 TYR 56 1HD TYR 56 -5.948 7.945 -3.283 380 HE1 TYR 56 2HE TYR 56 -6.767 3.200 -4.291 381 HE2 TYR 56 1HE TYR 56 -7.298 7.325 -5.245 382 HH TYR 56 HH TYR 56 -8.423 5.614 -6.239 383 H CYS 57 H CYS 57 -7.969 6.400 -0.995 384 HA CYS 57 HA CYS 57 -8.362 3.559 -0.386 385 HB2 CYS 57 1HB CYS 57 -10.248 3.874 0.907 386 HB3 CYS 57 2HB CYS 57 -9.290 5.270 1.385 387 HG CYS 57 HG CYS 57 -10.832 7.138 0.397 388 H GLY 58 H GLY 58 -9.541 2.459 -1.868 389 HA2 GLY 58 1HA GLY 58 -11.584 3.116 -3.461 390 HA3 GLY 58 2HA GLY 58 -10.248 3.893 -4.298 391 HA PRO 59 HA PRO 59 -10.730 -0.689 -5.453 392 HB2 PRO 59 1HB PRO 59 -11.728 -0.340 -7.954 393 HB3 PRO 59 2HB PRO 59 -12.755 -0.506 -6.525 394 HG2 PRO 59 1HG PRO 59 -11.911 1.974 -7.974 395 HG3 PRO 59 2HG PRO 59 -13.506 1.544 -7.329 396 HD2 PRO 59 1HD PRO 59 -11.816 3.220 -6.037 397 HD3 PRO 59 2HD PRO 59 -12.936 2.145 -5.177 398 H GLY 60 H GLY 60 -9.223 2.147 -6.528 399 HA2 GLY 60 1HA GLY 60 -7.892 1.496 -8.839 400 HA3 GLY 60 2HA GLY 60 -7.194 2.479 -7.561 401 H LEU 61 H LEU 61 -5.559 0.939 -9.104 402 HA LEU 61 HA LEU 61 -4.782 -1.219 -7.254 403 HB2 LEU 61 1HB LEU 61 -4.519 -1.125 -10.255 404 HB3 LEU 61 2HB LEU 61 -3.768 -2.347 -9.231 405 HG LEU 61 HG LEU 61 -6.745 -1.906 -9.429 406 HD11 LEU 61 1HD1 LEU 61 -6.447 -2.764 -11.494 407 HD12 LEU 61 2HD1 LEU 61 -6.340 -4.283 -10.605 408 HD13 LEU 61 3HD1 LEU 61 -4.869 -3.449 -11.103 409 HD21 LEU 61 1HD2 LEU 61 -6.949 -3.956 -8.248 410 HD22 LEU 61 2HD2 LEU 61 -5.811 -2.956 -7.346 411 HD23 LEU 61 3HD2 LEU 61 -5.218 -4.271 -8.362 412 H SER 62 H SER 62 -3.923 1.677 -8.787 413 HA SER 62 HA SER 62 -1.186 1.420 -7.766 414 HB2 SER 62 1HB SER 62 -0.336 2.608 -9.792 415 HB3 SER 62 2HB SER 62 -0.979 1.004 -10.144 416 HG SER 62 HG SER 62 -1.673 2.720 -11.594 417 H TYR 63 H TYR 63 -0.445 3.187 -6.729 418 HA TYR 63 HA TYR 63 -1.885 5.721 -7.043 419 HB2 TYR 63 1HB TYR 63 -2.848 4.555 -5.090 420 HB3 TYR 63 2HB TYR 63 -1.245 4.457 -4.370 421 HD1 TYR 63 1HD TYR 63 -3.818 6.874 -5.532 422 HD2 TYR 63 2HD TYR 63 -0.416 6.217 -3.062 423 HE1 TYR 63 1HE TYR 63 -4.161 9.073 -4.485 424 HE2 TYR 63 2HE TYR 63 -0.750 8.414 -2.007 425 HH TYR 63 HH TYR 63 -3.599 10.327 -2.608 426 H GLU 64 H GLU 64 -0.685 7.580 -6.506 427 HA GLU 64 HA GLU 64 2.214 7.108 -6.268 428 HB2 GLU 64 1HB GLU 64 1.434 8.058 -8.453 429 HB3 GLU 64 2HB GLU 64 0.865 9.473 -7.576 430 HG2 GLU 64 1HG GLU 64 2.983 10.234 -7.146 431 HG3 GLU 64 2HG GLU 64 3.701 8.628 -7.262 432 H ILE 65 H ILE 65 3.275 8.039 -4.627 433 HA ILE 65 HA ILE 65 1.783 9.940 -2.944 434 HB ILE 65 HB ILE 65 3.820 7.850 -2.223 435 HG12 ILE 65 1HG1 ILE 65 1.160 8.453 -0.936 436 HG13 ILE 65 2HG1 ILE 65 1.303 7.393 -2.334 437 HG21 ILE 65 1HG2 ILE 65 3.634 8.816 0.117 438 HG22 ILE 65 2HG2 ILE 65 4.612 9.722 -1.037 439 HG23 ILE 65 3HG2 ILE 65 2.980 10.265 -0.646 440 HD11 ILE 65 1HD1 ILE 65 2.982 6.077 -0.937 441 HD12 ILE 65 2HD1 ILE 65 2.360 6.990 0.437 442 HD13 ILE 65 3HD1 ILE 65 1.279 5.960 -0.500 443 H LYS 66 H LYS 66 2.693 11.853 -2.385 444 HA LYS 66 HA LYS 66 5.492 12.346 -3.107 445 HB2 LYS 66 1HB LYS 66 3.100 13.918 -4.045 446 HB3 LYS 66 2HB LYS 66 4.707 14.630 -3.978 447 HG2 LYS 66 1HG LYS 66 5.481 12.724 -5.439 448 HG3 LYS 66 2HG LYS 66 3.776 12.323 -5.662 449 HD2 LYS 66 1HD LYS 66 4.690 15.122 -6.149 450 HD3 LYS 66 2HD LYS 66 5.019 13.886 -7.365 451 HE2 LYS 66 1HE LYS 66 2.578 13.317 -7.311 452 HE3 LYS 66 2HE LYS 66 2.335 14.728 -6.281 453 HZ1 LYS 66 1HZ LYS 66 2.791 14.584 -9.125 454 HZ2 LYS 66 2HZ LYS 66 3.730 15.753 -8.342 455 HZ3 LYS 66 3HZ LYS 66 2.044 15.793 -8.208 456 H GLY 67 H GLY 67 6.052 14.718 -2.346 457 HA2 GLY 67 1HA GLY 67 6.202 16.245 -0.625 458 HA3 GLY 67 2HA GLY 67 4.630 15.693 -0.065 459 H LEU 68 H LEU 68 7.610 13.825 -0.490 460 HA LEU 68 HA LEU 68 7.441 13.090 2.350 461 HB2 LEU 68 1HB LEU 68 9.055 11.692 0.235 462 HB3 LEU 68 2HB LEU 68 8.585 11.087 1.823 463 HG LEU 68 HG LEU 68 6.572 11.662 -0.337 464 HD11 LEU 68 1HD1 LEU 68 6.954 8.888 -0.087 465 HD12 LEU 68 2HD1 LEU 68 8.553 9.599 -0.306 466 HD13 LEU 68 3HD1 LEU 68 7.282 9.907 -1.489 467 HD21 LEU 68 1HD2 LEU 68 5.224 10.068 0.968 468 HD22 LEU 68 2HD2 LEU 68 5.684 11.488 1.908 469 HD23 LEU 68 3HD2 LEU 68 6.527 9.957 2.151 470 H SER 69 H SER 69 9.775 12.359 3.143 471 HA SER 69 HA SER 69 11.584 14.615 2.569 472 HB2 SER 69 1HB SER 69 10.913 13.206 5.139 473 HB3 SER 69 2HB SER 69 12.449 14.054 4.958 474 HG SER 69 HG SER 69 10.169 15.108 5.622 475 HA PRO 70 HA PRO 70 14.594 11.686 1.250 476 HB2 PRO 70 1HB PRO 70 16.829 13.186 1.609 477 HB3 PRO 70 2HB PRO 70 15.684 13.469 0.293 478 HG2 PRO 70 1HG PRO 70 15.942 14.888 2.916 479 HG3 PRO 70 2HG PRO 70 15.670 15.564 1.300 480 HD2 PRO 70 1HD PRO 70 13.670 15.228 3.094 481 HD3 PRO 70 2HD PRO 70 13.415 15.089 1.343 482 H ALA 71 H ALA 71 16.220 10.307 2.037 483 HA ALA 71 HA ALA 71 17.178 8.972 3.616 484 HB1 ALA 71 1HB ALA 71 17.721 11.355 5.321 485 HB2 ALA 71 2HB ALA 71 18.769 9.994 4.915 486 HB3 ALA 71 3HB ALA 71 18.458 11.257 3.722 487 H THR 72 H THR 72 14.560 8.785 3.900 488 HA THR 72 HA THR 72 14.210 8.608 6.797 489 HB THR 72 HB THR 72 12.075 9.785 5.009 490 HG1 THR 72 1HG THR 72 13.869 11.008 6.853 491 HG21 THR 72 1HG2 THR 72 12.240 9.364 7.993 492 HG22 THR 72 2HG2 THR 72 11.120 8.593 6.870 493 HG23 THR 72 3HG2 THR 72 10.996 10.323 7.191 494 H THR 73 H THR 73 12.933 6.911 7.471 495 HA THR 73 HA THR 73 12.449 4.855 5.485 496 HB THR 73 HB THR 73 11.804 4.580 8.407 497 HG1 THR 73 1HG THR 73 14.086 5.405 7.737 498 HG21 THR 73 1HG2 THR 73 12.392 2.767 6.115 499 HG22 THR 73 2HG2 THR 73 11.159 2.635 7.368 500 HG23 THR 73 3HG2 THR 73 12.839 2.247 7.739 501 H TYR 74 H TYR 74 10.452 3.822 5.145 502 HA TYR 74 HA TYR 74 8.068 5.088 6.264 503 HB2 TYR 74 1HB TYR 74 8.542 4.767 3.293 504 HB3 TYR 74 2HB TYR 74 7.036 5.297 4.033 505 HD1 TYR 74 1HD TYR 74 6.844 7.523 5.010 506 HD2 TYR 74 2HD TYR 74 10.456 6.247 3.159 507 HE1 TYR 74 1HE TYR 74 7.625 9.854 4.939 508 HE2 TYR 74 2HE TYR 74 11.246 8.575 3.084 509 HH TYR 74 HH TYR 74 10.828 10.680 3.649 510 H TYR 75 H TYR 75 6.060 3.859 5.614 511 HA TYR 75 HA TYR 75 6.497 1.076 4.900 512 HB2 TYR 75 1HB TYR 75 5.288 1.860 7.560 513 HB3 TYR 75 2HB TYR 75 5.354 0.226 6.912 514 HD1 TYR 75 2HD TYR 75 7.494 -0.972 6.772 515 HD2 TYR 75 1HD TYR 75 7.234 2.896 8.526 516 HE1 TYR 75 2HE TYR 75 9.699 -1.300 7.811 517 HE2 TYR 75 1HE TYR 75 9.438 2.579 9.569 518 HH TYR 75 HH TYR 75 11.489 1.202 9.154 519 H CYS 76 H CYS 76 4.621 0.004 4.225 520 HA CYS 76 HA CYS 76 2.103 1.469 4.249 521 HB2 CYS 76 1HB CYS 76 1.842 1.658 1.951 522 HB3 CYS 76 2HB CYS 76 3.556 2.007 2.145 523 HG CYS 76 HG CYS 76 2.352 0.011 0.049 524 H ARG 77 H ARG 77 0.276 0.154 3.570 525 HA ARG 77 HA ARG 77 0.703 -2.698 3.284 526 HB2 ARG 77 1HB ARG 77 -0.729 -3.269 5.214 527 HB3 ARG 77 2HB ARG 77 0.762 -2.473 5.698 528 HG2 ARG 77 1HG ARG 77 -0.446 -0.369 5.973 529 HG3 ARG 77 2HG ARG 77 -1.942 -1.166 5.485 530 HD2 ARG 77 1HD ARG 77 -2.135 -2.314 7.452 531 HD3 ARG 77 2HD ARG 77 -0.393 -2.359 7.721 532 HE ARG 77 HE ARG 77 -1.096 0.282 7.966 533 HH11 ARG 77 1HH1 ARG 77 -2.004 -2.706 9.507 534 HH12 ARG 77 2HH1 ARG 77 -2.361 -1.963 11.030 535 HH21 ARG 77 1HH2 ARG 77 -1.564 1.272 9.967 536 HH22 ARG 77 2HH2 ARG 77 -2.111 0.300 11.290 537 H VAL 78 H VAL 78 -0.765 -3.507 1.934 538 HA VAL 78 HA VAL 78 -3.272 -2.005 1.543 539 HB VAL 78 HB VAL 78 -1.823 -1.858 -0.420 540 HG11 VAL 78 1HG1 VAL 78 -1.755 -4.826 -0.113 541 HG12 VAL 78 2HG1 VAL 78 -1.592 -4.113 -1.719 542 HG13 VAL 78 3HG1 VAL 78 -0.441 -3.700 -0.448 543 HG21 VAL 78 1HG2 VAL 78 -3.665 -3.600 -1.711 544 HG22 VAL 78 2HG2 VAL 78 -4.494 -2.806 -0.372 545 HG23 VAL 78 3HG2 VAL 78 -3.696 -1.840 -1.614 546 H GLN 79 H GLN 79 -5.185 -3.133 1.367 547 HA GLN 79 HA GLN 79 -5.089 -6.050 1.609 548 HB2 GLN 79 1HB GLN 79 -6.468 -6.144 3.505 549 HB3 GLN 79 2HB GLN 79 -5.298 -4.886 3.884 550 HG2 GLN 79 1HG GLN 79 -6.917 -3.173 3.318 551 HG3 GLN 79 2HG GLN 79 -8.088 -4.409 2.860 552 HE21 GLN 79 1HE2 GLN 79 -9.346 -5.292 4.386 553 HE22 GLN 79 2HE2 GLN 79 -9.236 -4.947 6.075 554 H ALA 80 H ALA 80 -7.264 -7.043 1.282 555 HA ALA 80 HA ALA 80 -8.745 -5.511 -0.746 556 HB1 ALA 80 1HB ALA 80 -7.600 -7.981 -0.963 557 HB2 ALA 80 2HB ALA 80 -9.277 -8.382 -0.593 558 HB3 ALA 80 3HB ALA 80 -8.900 -7.369 -1.986 559 H LEU 81 H LEU 81 -10.792 -4.944 -0.380 560 HA LEU 81 HA LEU 81 -12.100 -5.970 2.036 561 HB2 LEU 81 1HB LEU 81 -12.342 -3.463 0.435 562 HB3 LEU 81 2HB LEU 81 -13.704 -3.995 1.420 563 HG LEU 81 HG LEU 81 -11.805 -4.089 3.286 564 HD11 LEU 81 1HD1 LEU 81 -9.905 -3.412 2.167 565 HD12 LEU 81 2HD1 LEU 81 -10.472 -1.899 2.874 566 HD13 LEU 81 3HD1 LEU 81 -10.776 -2.246 1.172 567 HD21 LEU 81 1HD2 LEU 81 -13.730 -2.080 2.386 568 HD22 LEU 81 2HD2 LEU 81 -12.437 -1.435 3.397 569 HD23 LEU 81 3HD2 LEU 81 -13.453 -2.749 3.994 570 H SER 82 H SER 82 -14.298 -6.618 1.996 571 HA SER 82 HA SER 82 -15.454 -7.154 -0.642 572 HB2 SER 82 1HB SER 82 -16.101 -9.467 0.229 573 HB3 SER 82 2HB SER 82 -14.403 -9.236 -0.190 574 HG SER 82 HG SER 82 -13.861 -9.432 1.848 575 H VAL 83 H VAL 83 -17.727 -8.311 -0.166 576 HA VAL 83 HA VAL 83 -19.153 -6.417 1.531 577 HB VAL 83 HB VAL 83 -21.199 -7.507 0.488 578 HG11 VAL 83 1HG1 VAL 83 -20.776 -6.385 -1.744 579 HG12 VAL 83 2HG1 VAL 83 -20.541 -5.383 -0.311 580 HG13 VAL 83 3HG1 VAL 83 -19.147 -6.051 -1.160 581 HG21 VAL 83 1HG2 VAL 83 -19.966 -9.589 -0.168 582 HG22 VAL 83 2HG2 VAL 83 -20.933 -8.866 -1.453 583 HG23 VAL 83 3HG2 VAL 83 -19.183 -8.648 -1.437 584 H VAL 84 H VAL 84 -17.711 -9.275 2.044 585 HA VAL 84 HA VAL 84 -19.749 -10.133 3.994 586 HB VAL 84 HB VAL 84 -19.208 -11.694 1.983 587 HG11 VAL 84 1HG1 VAL 84 -17.286 -12.964 2.029 588 HG12 VAL 84 2HG1 VAL 84 -16.683 -11.396 2.567 589 HG13 VAL 84 3HG1 VAL 84 -17.005 -12.670 3.744 590 HG21 VAL 84 1HG2 VAL 84 -19.490 -13.678 3.442 591 HG22 VAL 84 2HG2 VAL 84 -19.200 -12.648 4.845 592 HG23 VAL 84 3HG2 VAL 84 -20.610 -12.369 3.822 593 H GLY 85 H GLY 85 -16.831 -8.685 3.686 594 HA2 GLY 85 1HA GLY 85 -16.146 -8.585 6.325 595 HA3 GLY 85 2HA GLY 85 -15.361 -10.048 5.748 596 H ALA 86 H ALA 86 -13.394 -8.884 6.393 597 HA ALA 86 HA ALA 86 -12.404 -7.272 4.149 598 HB1 ALA 86 1HB ALA 86 -11.211 -6.368 6.602 599 HB2 ALA 86 2HB ALA 86 -12.069 -5.446 5.367 600 HB3 ALA 86 3HB ALA 86 -12.966 -6.212 6.678 601 H GLY 87 H GLY 87 -10.629 -8.162 3.332 602 HA2 GLY 87 1HA GLY 87 -9.333 -10.378 4.492 603 HA3 GLY 87 2HA GLY 87 -8.737 -9.445 3.127 604 HA PRO 88 HA PRO 88 -6.202 -8.780 7.103 605 HB2 PRO 88 1HB PRO 88 -4.039 -10.286 6.451 606 HB3 PRO 88 2HB PRO 88 -5.422 -10.928 7.345 607 HG2 PRO 88 1HG PRO 88 -4.777 -11.160 4.431 608 HG3 PRO 88 2HG PRO 88 -5.385 -12.399 5.544 609 HD2 PRO 88 1HD PRO 88 -6.994 -11.085 3.808 610 HD3 PRO 88 2HD PRO 88 -7.558 -11.647 5.396 611 H PHE 89 H PHE 89 -3.812 -8.025 7.084 612 HA PHE 89 HA PHE 89 -3.519 -6.214 4.806 613 HB2 PHE 89 1HB PHE 89 -2.627 -6.188 7.646 614 HB3 PHE 89 2HB PHE 89 -1.621 -5.350 6.470 615 HD1 PHE 89 2HD PHE 89 -3.049 -3.826 4.786 616 HD2 PHE 89 1HD PHE 89 -4.220 -4.950 8.722 617 HE1 PHE 89 2HE PHE 89 -4.548 -1.879 4.894 618 HE2 PHE 89 1HE PHE 89 -5.721 -3.004 8.835 619 HZ PHE 89 HZ PHE 89 -5.885 -1.465 6.919 620 H SER 90 H SER 90 -1.955 -6.417 3.334 621 HA SER 90 HA SER 90 -0.417 -8.726 3.090 622 HB2 SER 90 1HB SER 90 0.787 -7.531 1.301 623 HB3 SER 90 2HB SER 90 -0.953 -7.275 1.184 624 HG SER 90 HG SER 90 1.051 -5.475 1.632 625 H GLU 91 H GLU 91 2.107 -8.447 2.680 626 HA GLU 91 HA GLU 91 3.244 -8.038 5.259 627 HB2 GLU 91 1HB GLU 91 4.259 -8.871 2.583 628 HB3 GLU 91 2HB GLU 91 5.429 -8.315 3.771 629 HG2 GLU 91 1HG GLU 91 3.435 -10.505 4.286 630 HG3 GLU 91 2HG GLU 91 5.078 -10.781 3.712 631 H VAL 92 H VAL 92 3.822 -6.165 6.114 632 HA VAL 92 HA VAL 92 3.732 -3.693 4.934 633 HB VAL 92 HB VAL 92 5.557 -4.554 7.183 634 HG11 VAL 92 1HG1 VAL 92 6.207 -2.408 6.106 635 HG12 VAL 92 2HG1 VAL 92 4.609 -1.775 6.502 636 HG13 VAL 92 3HG1 VAL 92 5.718 -2.239 7.791 637 HG21 VAL 92 1HG2 VAL 92 3.809 -3.766 8.656 638 HG22 VAL 92 2HG2 VAL 92 2.828 -3.270 7.278 639 HG23 VAL 92 3HG2 VAL 92 3.152 -4.980 7.559 640 H VAL 93 H VAL 93 4.816 -2.849 3.292 641 HA VAL 93 HA VAL 93 7.459 -3.893 2.610 642 HB VAL 93 HB VAL 93 5.703 -1.976 1.067 643 HG11 VAL 93 1HG1 VAL 93 8.137 -3.519 0.174 644 HG12 VAL 93 2HG1 VAL 93 7.181 -2.398 -0.797 645 HG13 VAL 93 3HG1 VAL 93 8.118 -1.801 0.574 646 HG21 VAL 93 1HG2 VAL 93 5.297 -3.955 -0.397 647 HG22 VAL 93 2HG2 VAL 93 6.089 -4.957 0.818 648 HG23 VAL 93 3HG2 VAL 93 4.600 -4.100 1.217 649 H ALA 94 H ALA 94 9.004 -2.934 3.808 650 HA ALA 94 HA ALA 94 8.882 -0.126 4.474 651 HB1 ALA 94 1HB ALA 94 10.497 -0.552 6.003 652 HB2 ALA 94 2HB ALA 94 9.933 -2.209 5.778 653 HB3 ALA 94 3HB ALA 94 11.376 -1.647 4.935 654 H CYS 95 H CYS 95 10.373 1.461 3.822 655 HA CYS 95 HA CYS 95 12.362 0.912 1.830 656 HB2 CYS 95 1HB CYS 95 11.406 2.047 -0.023 657 HB3 CYS 95 2HB CYS 95 10.167 0.938 0.552 658 HG CYS 95 HG CYS 95 8.350 2.734 0.675 659 H VAL 96 H VAL 96 13.874 2.508 1.721 660 HA VAL 96 HA VAL 96 13.380 4.883 3.393 661 HB VAL 96 HB VAL 96 15.979 3.476 2.776 662 HG11 VAL 96 1HG1 VAL 96 16.331 5.878 2.839 663 HG12 VAL 96 2HG1 VAL 96 15.484 5.980 4.383 664 HG13 VAL 96 3HG1 VAL 96 17.020 5.120 4.274 665 HG21 VAL 96 1HG2 VAL 96 14.441 2.436 4.464 666 HG22 VAL 96 2HG2 VAL 96 16.030 2.886 5.085 667 HG23 VAL 96 3HG2 VAL 96 14.627 3.897 5.435 668 H THR 97 H THR 97 13.432 6.822 2.463 669 HA THR 97 HA THR 97 13.815 7.085 -0.349 670 HB THR 97 HB THR 97 13.669 9.606 0.242 671 HG1 THR 97 1HG THR 97 13.762 9.938 2.330 672 HG21 THR 97 1HG2 THR 97 11.741 8.811 -0.711 673 HG22 THR 97 2HG2 THR 97 11.143 9.181 0.907 674 HG23 THR 97 3HG2 THR 97 11.557 7.521 0.477 675 HA PRO 98 HA PRO 98 18.108 7.997 -0.591 676 HB2 PRO 98 1HB PRO 98 18.136 9.621 -2.765 677 HB3 PRO 98 2HB PRO 98 17.868 7.878 -2.872 678 HG2 PRO 98 1HG PRO 98 15.870 10.107 -2.909 679 HG3 PRO 98 2HG PRO 98 15.939 8.649 -3.916 680 HD2 PRO 98 1HD PRO 98 14.286 8.869 -1.783 681 HD3 PRO 98 2HD PRO 98 15.001 7.323 -2.281 682 HA PRO 99 HA PRO 99 18.779 11.799 1.552 683 HB2 PRO 99 1HB PRO 99 21.457 12.023 1.170 684 HB3 PRO 99 2HB PRO 99 20.740 10.860 2.291 685 HG2 PRO 99 1HG PRO 99 21.741 10.433 -0.498 686 HG3 PRO 99 2HG PRO 99 21.965 9.418 0.939 687 HD2 PRO 99 1HD PRO 99 20.124 8.859 -0.968 688 HD3 PRO 99 2HD PRO 99 19.875 8.465 0.746 689 H SER 100 H SER 100 18.661 13.908 1.044 690 HA SER 100 HA SER 100 19.168 14.670 -1.742 691 HB2 SER 100 1HB SER 100 16.912 15.073 -0.549 692 HB3 SER 100 2HB SER 100 17.747 16.379 0.292 693 HG SER 100 HG SER 100 18.376 16.964 -2.021 694 H SER 101 H SER 101 20.721 16.073 -2.297 695 HA SER 101 HA SER 101 22.206 17.399 -0.122 696 HB2 SER 101 1HB SER 101 23.171 16.126 -2.677 697 HB3 SER 101 2HB SER 101 24.146 17.321 -1.821 698 HG SER 101 HG SER 101 23.167 14.877 -0.757 699 H GLY 102 H GLY 102 21.481 17.658 -3.606 700 HA2 GLY 102 1HA GLY 102 20.441 20.226 -3.547 701 HA3 GLY 102 2HA GLY 102 22.175 20.413 -3.766 702 HA PRO 103 HA PRO 103 20.416 20.090 -7.988 703 HB2 PRO 103 1HB PRO 103 22.190 21.827 -9.086 704 HB3 PRO 103 2HB PRO 103 20.709 22.351 -8.277 705 HG2 PRO 103 1HG PRO 103 23.509 22.255 -7.224 706 HG3 PRO 103 2HG PRO 103 22.286 23.524 -7.034 707 HD2 PRO 103 1HD PRO 103 22.819 21.713 -5.093 708 HD3 PRO 103 2HD PRO 103 21.202 22.401 -5.339 709 H SER 104 H SER 104 23.112 19.004 -6.443 710 HA SER 104 HA SER 104 24.870 18.415 -8.583 711 HB2 SER 104 1HB SER 104 26.014 16.966 -7.025 712 HB3 SER 104 2HB SER 104 25.503 18.414 -6.158 713 HG SER 104 HG SER 104 23.521 16.921 -5.774 714 H SER 105 H SER 105 25.152 16.555 -9.785 715 HA SER 105 HA SER 105 23.408 14.281 -9.435 716 HB2 SER 105 1HB SER 105 22.080 16.022 -10.752 717 HB3 SER 105 2HB SER 105 23.233 15.760 -12.061 718 HG SER 105 HG SER 105 22.632 13.427 -11.702 719 H GLY 106 H GLY 106 24.855 12.696 -9.571 720 HA2 GLY 106 1HA GLY 106 27.180 12.939 -11.287 721 HA3 GLY 106 2HA GLY 106 26.834 11.624 -10.174 Start of MODEL 5 1 H1 GLY 1 H GLY 1 -17.066 -27.443 6.734 2 HA2 GLY 1 1HA GLY 1 -15.156 -26.746 5.237 3 HA3 GLY 1 2HA GLY 1 -16.314 -25.635 4.522 4 H SER 2 H SER 2 -14.285 -24.308 5.258 5 HA SER 2 HA SER 2 -13.799 -23.660 7.901 6 HB2 SER 2 1HB SER 2 -13.038 -21.429 7.005 7 HB3 SER 2 2HB SER 2 -12.342 -22.826 6.184 8 HG SER 2 HG SER 2 -13.015 -21.541 4.564 9 H SER 3 H SER 3 -15.017 -22.814 9.443 10 HA SER 3 HA SER 3 -17.354 -21.197 8.662 11 HB2 SER 3 1HB SER 3 -18.363 -21.917 10.816 12 HB3 SER 3 2HB SER 3 -18.015 -23.274 9.746 13 HG SER 3 HG SER 3 -16.058 -22.506 11.586 14 H GLY 4 H GLY 4 -18.057 -19.643 10.432 15 HA2 GLY 4 1HA GLY 4 -17.469 -18.181 12.221 16 HA3 GLY 4 2HA GLY 4 -15.776 -18.554 11.928 17 H SER 5 H SER 5 -14.617 -17.355 10.477 18 HA SER 5 HA SER 5 -15.943 -14.924 9.525 19 HB2 SER 5 1HB SER 5 -13.060 -15.637 10.035 20 HB3 SER 5 2HB SER 5 -13.509 -14.199 9.117 21 HG SER 5 HG SER 5 -14.694 -13.497 10.936 22 H SER 6 H SER 6 -15.632 -14.153 7.391 23 HA SER 6 HA SER 6 -14.685 -16.148 5.451 24 HB2 SER 6 1HB SER 6 -17.188 -16.184 5.622 25 HB3 SER 6 2HB SER 6 -17.199 -14.502 5.092 26 HG SER 6 HG SER 6 -15.782 -15.576 3.300 27 H GLY 7 H GLY 7 -13.889 -15.309 3.485 28 HA2 GLY 7 1HA GLY 7 -13.925 -12.799 2.468 29 HA3 GLY 7 2HA GLY 7 -12.733 -12.674 3.754 30 HA PRO 8 HA PRO 8 -10.825 -14.248 -0.269 31 HB2 PRO 8 1HB PRO 8 -9.227 -12.103 -0.735 32 HB3 PRO 8 2HB PRO 8 -10.877 -12.225 -1.358 33 HG2 PRO 8 1HG PRO 8 -9.863 -10.758 1.046 34 HG3 PRO 8 2HG PRO 8 -11.037 -10.230 -0.173 35 HD2 PRO 8 1HD PRO 8 -11.781 -11.165 2.256 36 HD3 PRO 8 2HD PRO 8 -12.764 -11.407 0.797 37 H ASP 9 H ASP 9 -8.337 -14.242 -0.693 38 HA ASP 9 HA ASP 9 -7.097 -15.182 1.743 39 HB2 ASP 9 1HB ASP 9 -6.913 -16.322 -0.524 40 HB3 ASP 9 2HB ASP 9 -5.824 -15.017 -0.989 41 H GLN 10 H GLN 10 -4.972 -14.497 2.439 42 HA GLN 10 HA GLN 10 -4.701 -11.861 3.024 43 HB2 GLN 10 1HB GLN 10 -3.318 -13.771 3.917 44 HB3 GLN 10 2HB GLN 10 -2.337 -13.652 2.463 45 HG2 GLN 10 1HG GLN 10 -2.028 -11.187 3.138 46 HG3 GLN 10 2HG GLN 10 -2.597 -11.713 4.722 47 HE21 GLN 10 1HE2 GLN 10 0.056 -10.772 3.587 48 HE22 GLN 10 2HE2 GLN 10 1.189 -11.948 4.151 49 H CYS 11 H CYS 11 -3.656 -10.070 2.177 50 HA CYS 11 HA CYS 11 -3.446 -10.045 -0.715 51 HB2 CYS 11 1HB CYS 11 -3.549 -7.967 1.431 52 HB3 CYS 11 2HB CYS 11 -2.874 -7.532 -0.135 53 HG CYS 11 HG CYS 11 -6.022 -8.795 0.323 54 H LYS 12 H LYS 12 -1.613 -9.503 -1.892 55 HA LYS 12 HA LYS 12 0.892 -10.188 -0.607 56 HB2 LYS 12 1HB LYS 12 -0.018 -9.812 -3.432 57 HB3 LYS 12 2HB LYS 12 1.702 -9.740 -3.070 58 HG2 LYS 12 1HG LYS 12 -0.012 -12.050 -2.215 59 HG3 LYS 12 2HG LYS 12 0.760 -11.980 -3.801 60 HD2 LYS 12 1HD LYS 12 2.946 -11.793 -2.748 61 HD3 LYS 12 2HD LYS 12 2.194 -11.793 -1.151 62 HE2 LYS 12 1HE LYS 12 2.895 -13.996 -1.424 63 HE3 LYS 12 2HE LYS 12 1.188 -14.052 -1.857 64 HZ1 LYS 12 1HZ LYS 12 2.987 -15.160 -3.365 65 HZ2 LYS 12 2HZ LYS 12 3.160 -13.594 -3.978 66 HZ3 LYS 12 3HZ LYS 12 1.659 -14.370 -4.053 67 HA PRO 13 HA PRO 13 2.430 -6.115 -0.035 68 HB2 PRO 13 1HB PRO 13 5.089 -6.518 -0.407 69 HB3 PRO 13 2HB PRO 13 4.224 -7.076 1.030 70 HG2 PRO 13 1HG PRO 13 5.021 -8.609 -1.415 71 HG3 PRO 13 2HG PRO 13 5.120 -9.090 0.289 72 HD2 PRO 13 1HD PRO 13 3.135 -9.931 -1.350 73 HD3 PRO 13 2HD PRO 13 2.889 -9.661 0.388 74 HA PRO 14 HA PRO 14 2.558 -4.487 -4.185 75 HB2 PRO 14 1HB PRO 14 2.677 -1.872 -3.465 76 HB3 PRO 14 2HB PRO 14 1.184 -2.818 -3.406 77 HG2 PRO 14 1HG PRO 14 3.073 -2.118 -1.191 78 HG3 PRO 14 2HG PRO 14 1.300 -2.104 -1.195 79 HD2 PRO 14 1HD PRO 14 2.738 -4.124 -0.107 80 HD3 PRO 14 2HD PRO 14 1.156 -4.381 -0.869 81 H GLN 15 H GLN 15 3.948 -2.798 -5.334 82 HA GLN 15 HA GLN 15 6.732 -3.150 -4.459 83 HB2 GLN 15 1HB GLN 15 6.343 -4.140 -6.609 84 HB3 GLN 15 2HB GLN 15 5.543 -2.687 -7.194 85 HG2 GLN 15 1HG GLN 15 7.708 -2.746 -8.154 86 HG3 GLN 15 2HG GLN 15 7.709 -1.480 -6.927 87 HE21 GLN 15 1HE2 GLN 15 9.958 -1.582 -6.762 88 HE22 GLN 15 2HE2 GLN 15 10.754 -2.878 -5.943 89 H VAL 16 H VAL 16 7.655 -1.436 -3.573 90 HA VAL 16 HA VAL 16 6.575 1.226 -4.081 91 HB VAL 16 HB VAL 16 8.163 1.929 -2.269 92 HG11 VAL 16 1HG1 VAL 16 6.217 -0.264 -1.561 93 HG12 VAL 16 2HG1 VAL 16 6.844 0.961 -0.456 94 HG13 VAL 16 3HG1 VAL 16 5.814 1.435 -1.809 95 HG21 VAL 16 1HG2 VAL 16 9.712 -0.027 -2.655 96 HG22 VAL 16 2HG2 VAL 16 9.328 0.326 -0.970 97 HG23 VAL 16 3HG2 VAL 16 8.537 -1.018 -1.792 98 H THR 17 H THR 17 7.756 2.930 -4.911 99 HA THR 17 HA THR 17 10.472 2.392 -5.865 100 HB THR 17 HB THR 17 8.240 3.409 -7.634 101 HG1 THR 17 1HG THR 17 8.109 1.371 -8.160 102 HG21 THR 17 1HG2 THR 17 10.182 3.158 -9.366 103 HG22 THR 17 2HG2 THR 17 11.213 3.366 -7.950 104 HG23 THR 17 3HG2 THR 17 10.057 4.622 -8.391 105 H CYS 18 H CYS 18 11.701 3.963 -5.083 106 HA CYS 18 HA CYS 18 10.645 6.436 -4.146 107 HB2 CYS 18 1HB CYS 18 13.021 7.024 -3.734 108 HB3 CYS 18 2HB CYS 18 12.582 5.457 -3.066 109 HG CYS 18 HG CYS 18 13.814 3.981 -5.082 110 H ARG 19 H ARG 19 9.602 7.200 -6.089 111 HA ARG 19 HA ARG 19 10.703 7.694 -8.540 112 HB2 ARG 19 1HB ARG 19 8.743 9.322 -6.931 113 HB3 ARG 19 2HB ARG 19 9.179 9.748 -8.580 114 HG2 ARG 19 1HG ARG 19 8.269 6.973 -8.043 115 HG3 ARG 19 2HG ARG 19 7.071 8.268 -8.046 116 HD2 ARG 19 1HD ARG 19 7.058 7.583 -10.255 117 HD3 ARG 19 2HD ARG 19 8.179 8.942 -10.291 118 HE ARG 19 HE ARG 19 9.413 6.362 -9.891 119 HH11 ARG 19 1HH1 ARG 19 8.376 8.758 -12.195 120 HH12 ARG 19 2HH1 ARG 19 9.454 8.216 -13.439 121 HH21 ARG 19 1HH2 ARG 19 10.836 5.640 -11.521 122 HH22 ARG 19 2HH2 ARG 19 10.851 6.443 -13.055 123 H SER 20 H SER 20 11.029 9.663 -5.619 124 HA SER 20 HA SER 20 13.533 10.722 -6.514 125 HB2 SER 20 1HB SER 20 11.054 12.355 -6.741 126 HB3 SER 20 2HB SER 20 12.498 13.160 -6.126 127 HG SER 20 HG SER 20 12.724 11.580 -8.425 128 H ALA 21 H ALA 21 13.980 12.780 -4.904 129 HA ALA 21 HA ALA 21 14.431 11.704 -2.405 130 HB1 ALA 21 1HB ALA 21 15.700 13.553 -2.609 131 HB2 ALA 21 2HB ALA 21 14.483 14.412 -3.555 132 HB3 ALA 21 3HB ALA 21 14.340 14.332 -1.799 133 H THR 22 H THR 22 11.765 13.842 -3.395 134 HA THR 22 HA THR 22 10.341 13.058 -0.935 135 HB THR 22 HB THR 22 9.117 15.154 -1.040 136 HG1 THR 22 1HG THR 22 9.633 16.689 -2.649 137 HG21 THR 22 1HG2 THR 22 10.747 16.362 -0.046 138 HG22 THR 22 2HG2 THR 22 11.838 16.217 -1.425 139 HG23 THR 22 3HG2 THR 22 11.702 14.895 -0.265 140 H CYS 23 H CYS 23 10.355 11.561 -3.406 141 HA CYS 23 HA CYS 23 7.475 11.593 -3.923 142 HB2 CYS 23 1HB CYS 23 9.429 11.262 -6.192 143 HB3 CYS 23 2HB CYS 23 7.694 11.542 -6.278 144 HG CYS 23 HG CYS 23 10.083 13.820 -5.386 145 H ALA 24 H ALA 24 6.576 9.599 -4.236 146 HA ALA 24 HA ALA 24 8.292 7.282 -4.629 147 HB1 ALA 24 1HB ALA 24 8.085 6.342 -2.602 148 HB2 ALA 24 2HB ALA 24 7.749 7.988 -2.065 149 HB3 ALA 24 3HB ALA 24 6.418 6.884 -2.409 150 H GLN 25 H GLN 25 7.076 5.318 -5.080 151 HA GLN 25 HA GLN 25 4.283 5.790 -5.858 152 HB2 GLN 25 1HB GLN 25 5.612 6.039 -7.877 153 HB3 GLN 25 2HB GLN 25 6.417 4.505 -7.571 154 HG2 GLN 25 1HG GLN 25 4.863 3.932 -9.163 155 HG3 GLN 25 2HG GLN 25 4.030 3.514 -7.667 156 HE21 GLN 25 1HE2 GLN 25 1.989 3.719 -8.506 157 HE22 GLN 25 2HE2 GLN 25 1.304 5.239 -8.960 158 H VAL 26 H VAL 26 2.941 3.966 -5.845 159 HA VAL 26 HA VAL 26 4.109 1.518 -4.704 160 HB VAL 26 HB VAL 26 1.463 2.683 -3.836 161 HG11 VAL 26 1HG1 VAL 26 3.099 0.447 -2.645 162 HG12 VAL 26 2HG1 VAL 26 1.497 0.983 -2.132 163 HG13 VAL 26 3HG1 VAL 26 1.710 0.217 -3.707 164 HG21 VAL 26 1HG2 VAL 26 4.198 2.880 -2.611 165 HG22 VAL 26 2HG2 VAL 26 3.050 4.173 -2.958 166 HG23 VAL 26 3HG2 VAL 26 2.729 3.038 -1.646 167 H ASN 27 H ASN 27 3.031 -0.424 -5.204 168 HA ASN 27 HA ASN 27 0.782 -0.333 -7.045 169 HB2 ASN 27 1HB ASN 27 3.245 -1.867 -7.858 170 HB3 ASN 27 2HB ASN 27 1.832 -1.472 -8.832 171 HD21 ASN 27 1HD2 ASN 27 1.690 0.500 -9.813 172 HD22 ASN 27 2HD2 ASN 27 2.992 1.636 -9.850 173 H TRP 28 H TRP 28 -0.620 -1.737 -6.243 174 HA TRP 28 HA TRP 28 0.407 -4.174 -4.945 175 HB2 TRP 28 1HB TRP 28 -1.785 -4.231 -3.757 176 HB3 TRP 28 2HB TRP 28 -0.829 -2.797 -3.391 177 HD1 TRP 28 HD TRP 28 -4.031 -3.887 -5.176 178 HE1 TRP 28 1HE TRP 28 -5.474 -1.803 -5.624 179 HE3 TRP 28 3HE TRP 28 -0.699 -0.274 -3.768 180 HZ2 TRP 28 2HZ TRP 28 -5.232 1.001 -5.409 181 HZ3 TRP 28 3HZ TRP 28 -1.382 2.085 -3.921 182 HH2 TRP 28 HH TRP 28 -3.602 2.706 -4.725 183 H GLU 29 H GLU 29 -1.576 -5.873 -4.928 184 HA GLU 29 HA GLU 29 -2.871 -6.007 -7.525 185 HB2 GLU 29 1HB GLU 29 -0.613 -7.769 -6.694 186 HB3 GLU 29 2HB GLU 29 -1.931 -8.485 -7.608 187 HG2 GLU 29 1HG GLU 29 -0.498 -6.024 -8.543 188 HG3 GLU 29 2HG GLU 29 0.075 -7.648 -8.915 189 H VAL 30 H VAL 30 -4.451 -7.737 -7.663 190 HA VAL 30 HA VAL 30 -5.744 -8.172 -5.112 191 HB VAL 30 HB VAL 30 -6.603 -9.020 -7.882 192 HG11 VAL 30 1HG1 VAL 30 -8.663 -9.637 -7.002 193 HG12 VAL 30 2HG1 VAL 30 -7.522 -10.242 -5.799 194 HG13 VAL 30 3HG1 VAL 30 -8.403 -8.743 -5.504 195 HG21 VAL 30 1HG2 VAL 30 -8.302 -7.084 -7.323 196 HG22 VAL 30 2HG2 VAL 30 -6.977 -6.527 -6.299 197 HG23 VAL 30 3HG2 VAL 30 -6.725 -6.739 -8.031 198 HA PRO 31 HA PRO 31 -4.135 -12.227 -4.446 199 HB2 PRO 31 1HB PRO 31 -5.985 -13.083 -2.653 200 HB3 PRO 31 2HB PRO 31 -4.717 -11.922 -2.244 201 HG2 PRO 31 1HG PRO 31 -7.587 -11.427 -2.934 202 HG3 PRO 31 2HG PRO 31 -6.598 -10.688 -1.661 203 HD2 PRO 31 1HD PRO 31 -7.112 -9.445 -4.011 204 HD3 PRO 31 2HD PRO 31 -5.595 -9.214 -3.120 205 H LEU 32 H LEU 32 -5.091 -14.544 -4.252 206 HA LEU 32 HA LEU 32 -6.636 -15.003 -6.656 207 HB2 LEU 32 1HB LEU 32 -4.693 -16.379 -6.240 208 HB3 LEU 32 2HB LEU 32 -5.358 -16.897 -4.692 209 HG LEU 32 HG LEU 32 -7.218 -17.999 -5.965 210 HD11 LEU 32 1HD1 LEU 32 -6.535 -16.518 -8.051 211 HD12 LEU 32 2HD1 LEU 32 -7.277 -18.107 -8.237 212 HD13 LEU 32 3HD1 LEU 32 -5.532 -17.925 -8.405 213 HD21 LEU 32 1HD2 LEU 32 -5.779 -19.886 -6.756 214 HD22 LEU 32 2HD2 LEU 32 -5.450 -19.352 -5.107 215 HD23 LEU 32 3HD2 LEU 32 -4.372 -18.877 -6.420 216 H SER 33 H SER 33 -8.562 -13.943 -5.673 217 HA SER 33 HA SER 33 -10.030 -15.744 -3.870 218 HB2 SER 33 1HB SER 33 -9.700 -13.321 -3.205 219 HB3 SER 33 2HB SER 33 -10.750 -12.890 -4.554 220 HG SER 33 HG SER 33 -11.424 -14.529 -2.336 221 H ASN 34 H ASN 34 -11.061 -17.197 -5.121 222 HA ASN 34 HA ASN 34 -12.414 -16.313 -7.552 223 HB2 ASN 34 1HB ASN 34 -12.939 -18.916 -7.557 224 HB3 ASN 34 2HB ASN 34 -11.375 -18.294 -8.077 225 HD21 ASN 34 1HD2 ASN 34 -12.768 -18.758 -4.855 226 HD22 ASN 34 2HD2 ASN 34 -11.520 -19.803 -4.277 227 H GLY 35 H GLY 35 -13.553 -15.252 -5.281 228 HA2 GLY 35 1HA GLY 35 -16.198 -16.486 -5.397 229 HA3 GLY 35 2HA GLY 35 -15.456 -16.347 -3.811 230 H THR 36 H THR 36 -15.192 -14.305 -2.871 231 HA THR 36 HA THR 36 -17.143 -12.364 -3.739 232 HB THR 36 HB THR 36 -16.944 -12.793 -1.362 233 HG1 THR 36 1HG THR 36 -15.905 -10.207 -1.965 234 HG21 THR 36 1HG2 THR 36 -14.745 -13.455 -0.972 235 HG22 THR 36 2HG2 THR 36 -14.811 -11.855 -0.232 236 HG23 THR 36 3HG2 THR 36 -14.072 -12.063 -1.819 237 H ASP 37 H ASP 37 -16.761 -10.277 -4.430 238 HA ASP 37 HA ASP 37 -14.106 -9.821 -5.564 239 HB2 ASP 37 1HB ASP 37 -16.154 -9.613 -6.993 240 HB3 ASP 37 2HB ASP 37 -16.642 -8.236 -6.010 241 H VAL 38 H VAL 38 -12.790 -8.163 -4.993 242 HA VAL 38 HA VAL 38 -13.026 -7.025 -2.440 243 HB VAL 38 HB VAL 38 -11.314 -6.077 -4.744 244 HG11 VAL 38 1HG1 VAL 38 -9.862 -5.319 -2.745 245 HG12 VAL 38 2HG1 VAL 38 -11.252 -4.336 -3.207 246 HG13 VAL 38 3HG1 VAL 38 -11.361 -5.422 -1.822 247 HG21 VAL 38 1HG2 VAL 38 -9.567 -7.460 -3.805 248 HG22 VAL 38 2HG2 VAL 38 -10.628 -7.967 -2.493 249 HG23 VAL 38 3HG2 VAL 38 -10.982 -8.454 -4.150 250 H THR 39 H THR 39 -14.398 -5.513 -1.796 251 HA THR 39 HA THR 39 -15.890 -3.877 -3.557 252 HB THR 39 HB THR 39 -16.499 -2.624 -1.415 253 HG1 THR 39 1HG THR 39 -15.210 -3.042 0.206 254 HG21 THR 39 1HG2 THR 39 -17.809 -4.569 -0.529 255 HG22 THR 39 2HG2 THR 39 -16.928 -5.601 -1.655 256 HG23 THR 39 3HG2 THR 39 -17.967 -4.315 -2.267 257 H GLU 40 H GLU 40 -13.271 -3.081 -1.272 258 HA GLU 40 HA GLU 40 -12.362 -0.974 -3.048 259 HB2 GLU 40 1HB GLU 40 -12.746 0.838 -1.695 260 HB3 GLU 40 2HB GLU 40 -14.159 -0.134 -1.307 261 HG2 GLU 40 1HG GLU 40 -12.593 -1.079 0.575 262 HG3 GLU 40 2HG GLU 40 -11.748 0.448 0.331 263 H TYR 41 H TYR 41 -10.280 -0.073 -2.380 264 HA TYR 41 HA TYR 41 -8.762 -1.981 -0.724 265 HB2 TYR 41 1HB TYR 41 -7.797 -0.346 -3.079 266 HB3 TYR 41 2HB TYR 41 -6.801 -1.423 -2.109 267 HD1 TYR 41 1HD TYR 41 -10.050 -1.584 -3.962 268 HD2 TYR 41 2HD TYR 41 -6.356 -3.481 -3.036 269 HE1 TYR 41 1HE TYR 41 -10.648 -3.456 -5.440 270 HE2 TYR 41 2HE TYR 41 -6.943 -5.357 -4.514 271 HH TYR 41 HH TYR 41 -9.595 -5.232 -6.680 272 H ARG 42 H ARG 42 -8.014 -1.182 1.113 273 HA ARG 42 HA ARG 42 -7.702 1.729 1.367 274 HB2 ARG 42 1HB ARG 42 -8.275 -0.454 3.348 275 HB3 ARG 42 2HB ARG 42 -7.622 1.088 3.882 276 HG2 ARG 42 1HG ARG 42 -9.549 2.217 2.801 277 HG3 ARG 42 2HG ARG 42 -10.222 0.626 2.442 278 HD2 ARG 42 1HD ARG 42 -9.856 0.258 5.021 279 HD3 ARG 42 2HD ARG 42 -9.913 2.019 5.057 280 HE ARG 42 HE ARG 42 -12.100 1.078 3.579 281 HH11 ARG 42 1HH1 ARG 42 -10.909 1.117 6.850 282 HH12 ARG 42 2HH1 ARG 42 -12.486 1.066 7.564 283 HH21 ARG 42 1HH2 ARG 42 -14.183 1.010 4.506 284 HH22 ARG 42 2HH2 ARG 42 -14.348 1.004 6.230 285 H LEU 43 H LEU 43 -5.675 2.346 0.975 286 HA LEU 43 HA LEU 43 -3.469 0.659 1.941 287 HB2 LEU 43 1HB LEU 43 -3.200 0.992 -0.355 288 HB3 LEU 43 2HB LEU 43 -3.694 2.681 -0.259 289 HG LEU 43 HG LEU 43 -1.483 2.916 1.144 290 HD11 LEU 43 1HD1 LEU 43 -1.305 0.264 0.703 291 HD12 LEU 43 2HD1 LEU 43 0.087 1.314 0.960 292 HD13 LEU 43 3HD1 LEU 43 -0.397 0.876 -0.679 293 HD21 LEU 43 1HD2 LEU 43 -1.174 4.203 -0.643 294 HD22 LEU 43 2HD2 LEU 43 -2.152 3.142 -1.659 295 HD23 LEU 43 3HD2 LEU 43 -0.436 2.807 -1.429 296 H GLU 44 H GLU 44 -2.570 1.270 3.784 297 HA GLU 44 HA GLU 44 -2.740 4.084 4.595 298 HB2 GLU 44 1HB GLU 44 -1.929 1.705 6.272 299 HB3 GLU 44 2HB GLU 44 -2.304 3.325 6.844 300 HG2 GLU 44 1HG GLU 44 -4.623 3.030 6.053 301 HG3 GLU 44 2HG GLU 44 -4.226 1.375 5.595 302 H TRP 45 H TRP 45 -1.002 5.355 4.650 303 HA TRP 45 HA TRP 45 1.652 4.091 4.447 304 HB2 TRP 45 1HB TRP 45 1.235 5.046 2.310 305 HB3 TRP 45 2HB TRP 45 0.575 6.519 3.017 306 HD1 TRP 45 HD TRP 45 2.554 7.922 4.573 307 HE1 TRP 45 1HE TRP 45 4.964 8.450 3.842 308 HE3 TRP 45 3HE TRP 45 3.090 4.381 0.924 309 HZ2 TRP 45 2HZ TRP 45 6.844 7.492 1.967 310 HZ3 TRP 45 3HZ TRP 45 5.226 4.254 -0.290 311 HH2 TRP 45 HH TRP 45 7.063 5.779 0.221 312 H GLY 46 H GLY 46 2.894 4.508 6.145 313 HA2 GLY 46 1HA GLY 46 2.730 7.160 7.402 314 HA3 GLY 46 2HA GLY 46 2.551 5.731 8.409 315 H GLY 47 H GLY 47 4.652 8.007 7.922 316 HA2 GLY 47 1HA GLY 47 7.053 7.147 7.023 317 HA3 GLY 47 2HA GLY 47 6.894 8.116 8.480 318 H VAL 48 H VAL 48 5.599 6.225 10.116 319 HA VAL 48 HA VAL 48 7.711 4.185 10.398 320 HB VAL 48 HB VAL 48 6.286 5.795 12.501 321 HG11 VAL 48 1HG1 VAL 48 7.709 4.201 14.045 322 HG12 VAL 48 2HG1 VAL 48 6.075 3.765 13.539 323 HG13 VAL 48 3HG1 VAL 48 7.471 3.073 12.709 324 HG21 VAL 48 1HG2 VAL 48 8.203 6.936 12.201 325 HG22 VAL 48 2HG2 VAL 48 8.897 5.663 13.204 326 HG23 VAL 48 3HG2 VAL 48 9.022 5.568 11.447 327 H GLU 49 H GLU 49 7.036 2.157 10.233 328 HA GLU 49 HA GLU 49 4.495 1.322 9.671 329 HB2 GLU 49 1HB GLU 49 5.209 -0.908 10.108 330 HB3 GLU 49 2HB GLU 49 6.609 -0.033 9.502 331 HG2 GLU 49 1HG GLU 49 7.654 -0.010 11.563 332 HG3 GLU 49 2HG GLU 49 6.150 -0.277 12.442 333 H GLY 50 H GLY 50 5.886 1.985 12.803 334 HA2 GLY 50 1HA GLY 50 4.098 0.651 14.470 335 HA3 GLY 50 2HA GLY 50 4.937 2.138 14.887 336 H SER 51 H SER 51 3.766 3.778 12.867 337 HA SER 51 HA SER 51 0.927 3.771 13.633 338 HB2 SER 51 1HB SER 51 2.952 5.920 14.024 339 HB3 SER 51 2HB SER 51 1.329 6.411 13.537 340 HG SER 51 HG SER 51 0.553 5.772 15.416 341 H MET 52 H MET 52 -0.300 3.702 11.882 342 HA MET 52 HA MET 52 0.468 5.268 9.531 343 HB2 MET 52 1HB MET 52 -0.290 2.342 9.476 344 HB3 MET 52 2HB MET 52 -0.168 3.364 8.051 345 HG2 MET 52 1HG MET 52 2.138 3.539 8.214 346 HG3 MET 52 2HG MET 52 2.150 3.065 9.912 347 HE1 MET 52 1HE MET 52 1.686 0.673 6.165 348 HE2 MET 52 2HE MET 52 2.063 2.378 6.415 349 HE3 MET 52 3HE MET 52 3.346 1.170 6.497 350 H GLN 53 H GLN 53 -1.314 5.665 8.056 351 HA GLN 53 HA GLN 53 -3.986 5.120 9.099 352 HB2 GLN 53 1HB GLN 53 -4.655 7.473 8.900 353 HB3 GLN 53 2HB GLN 53 -3.381 7.264 10.095 354 HG2 GLN 53 1HG GLN 53 -1.794 7.867 8.138 355 HG3 GLN 53 2HG GLN 53 -3.249 8.523 7.393 356 HE21 GLN 53 1HE2 GLN 53 -2.035 10.541 7.525 357 HE22 GLN 53 2HE2 GLN 53 -2.099 11.459 8.987 358 H ILE 54 H ILE 54 -5.695 5.781 7.529 359 HA ILE 54 HA ILE 54 -5.229 4.680 5.012 360 HB ILE 54 HB ILE 54 -7.411 6.636 5.742 361 HG12 ILE 54 1HG1 ILE 54 -7.139 4.556 7.209 362 HG13 ILE 54 2HG1 ILE 54 -8.719 4.810 6.475 363 HG21 ILE 54 1HG2 ILE 54 -7.547 6.468 3.448 364 HG22 ILE 54 2HG2 ILE 54 -6.957 4.807 3.428 365 HG23 ILE 54 3HG2 ILE 54 -8.604 5.151 3.959 366 HD11 ILE 54 1HD1 ILE 54 -7.967 3.237 4.647 367 HD12 ILE 54 2HD1 ILE 54 -6.601 2.840 5.689 368 HD13 ILE 54 3HD1 ILE 54 -8.248 2.526 6.236 369 H CYS 55 H CYS 55 -4.674 5.484 3.053 370 HA CYS 55 HA CYS 55 -4.175 8.379 2.861 371 HB2 CYS 55 1HB CYS 55 -2.094 6.914 3.140 372 HB3 CYS 55 2HB CYS 55 -2.441 6.308 1.525 373 HG CYS 55 HG CYS 55 -0.407 8.481 1.879 374 H TYR 56 H TYR 56 -4.959 5.383 1.193 375 HA TYR 56 HA TYR 56 -6.330 6.952 -0.864 376 HB2 TYR 56 1HB TYR 56 -4.184 6.401 -1.860 377 HB3 TYR 56 2HB TYR 56 -4.385 4.706 -1.429 378 HD1 TYR 56 2HD TYR 56 -6.433 3.491 -2.455 379 HD2 TYR 56 1HD TYR 56 -4.867 7.152 -3.952 380 HE1 TYR 56 2HE TYR 56 -7.525 3.066 -4.618 381 HE2 TYR 56 1HE TYR 56 -5.956 6.739 -6.119 382 HH TYR 56 HH TYR 56 -8.299 5.021 -6.701 383 H CYS 57 H CYS 57 -8.227 6.090 -1.545 384 HA CYS 57 HA CYS 57 -8.884 3.346 -0.747 385 HB2 CYS 57 1HB CYS 57 -11.001 5.420 -0.430 386 HB3 CYS 57 2HB CYS 57 -10.773 3.908 0.440 387 HG CYS 57 HG CYS 57 -10.217 5.381 2.511 388 H GLY 58 H GLY 58 -9.680 2.235 -2.404 389 HA2 GLY 58 1HA GLY 58 -11.735 2.766 -4.063 390 HA3 GLY 58 2HA GLY 58 -10.411 3.619 -4.841 391 HA PRO 59 HA PRO 59 -10.573 -0.966 -6.039 392 HB2 PRO 59 1HB PRO 59 -11.399 -0.639 -8.604 393 HB3 PRO 59 2HB PRO 59 -12.520 -0.863 -7.255 394 HG2 PRO 59 1HG PRO 59 -11.683 1.664 -8.625 395 HG3 PRO 59 2HG PRO 59 -13.300 1.157 -8.099 396 HD2 PRO 59 1HD PRO 59 -11.785 2.896 -6.680 397 HD3 PRO 59 2HD PRO 59 -12.917 1.764 -5.910 398 H GLY 60 H GLY 60 -9.309 1.996 -7.314 399 HA2 GLY 60 1HA GLY 60 -7.713 1.293 -9.403 400 HA3 GLY 60 2HA GLY 60 -7.217 2.449 -8.175 401 H LEU 61 H LEU 61 -5.419 0.807 -9.562 402 HA LEU 61 HA LEU 61 -4.440 -0.884 -7.362 403 HB2 LEU 61 1HB LEU 61 -4.017 -1.503 -10.274 404 HB3 LEU 61 2HB LEU 61 -3.662 -2.529 -8.885 405 HG LEU 61 HG LEU 61 -6.477 -1.734 -9.559 406 HD11 LEU 61 1HD1 LEU 61 -6.726 -3.373 -11.114 407 HD12 LEU 61 2HD1 LEU 61 -5.427 -4.361 -10.447 408 HD13 LEU 61 3HD1 LEU 61 -5.044 -2.949 -11.431 409 HD21 LEU 61 1HD2 LEU 61 -6.162 -2.668 -7.369 410 HD22 LEU 61 2HD2 LEU 61 -5.227 -4.010 -8.027 411 HD23 LEU 61 3HD2 LEU 61 -6.948 -3.873 -8.389 412 H SER 62 H SER 62 -3.886 1.923 -8.319 413 HA SER 62 HA SER 62 -1.031 1.794 -8.026 414 HB2 SER 62 1HB SER 62 -0.589 3.096 -10.143 415 HB3 SER 62 2HB SER 62 -1.058 1.416 -10.394 416 HG SER 62 HG SER 62 -3.086 3.328 -10.339 417 H TYR 63 H TYR 63 -0.340 3.539 -6.955 418 HA TYR 63 HA TYR 63 -1.801 6.059 -7.180 419 HB2 TYR 63 1HB TYR 63 -2.875 4.978 -5.297 420 HB3 TYR 63 2HB TYR 63 -1.314 4.615 -4.567 421 HD1 TYR 63 1HD TYR 63 -3.110 7.630 -5.876 422 HD2 TYR 63 2HD TYR 63 -0.717 5.943 -2.789 423 HE1 TYR 63 1HE TYR 63 -3.192 9.764 -4.656 424 HE2 TYR 63 2HE TYR 63 -0.792 8.073 -1.559 425 HH TYR 63 HH TYR 63 -1.737 10.101 -1.447 426 H GLU 64 H GLU 64 -0.532 7.835 -6.987 427 HA GLU 64 HA GLU 64 2.331 7.350 -6.537 428 HB2 GLU 64 1HB GLU 64 1.756 8.289 -8.722 429 HB3 GLU 64 2HB GLU 64 0.937 9.635 -7.942 430 HG2 GLU 64 1HG GLU 64 2.940 10.569 -7.186 431 HG3 GLU 64 2HG GLU 64 3.840 9.078 -7.458 432 H ILE 65 H ILE 65 3.186 7.999 -4.685 433 HA ILE 65 HA ILE 65 1.735 9.950 -3.051 434 HB ILE 65 HB ILE 65 3.847 7.914 -2.394 435 HG12 ILE 65 1HG1 ILE 65 1.170 8.406 -1.094 436 HG13 ILE 65 2HG1 ILE 65 1.360 7.357 -2.495 437 HG21 ILE 65 1HG2 ILE 65 3.845 8.779 -0.092 438 HG22 ILE 65 2HG2 ILE 65 4.489 9.947 -1.245 439 HG23 ILE 65 3HG2 ILE 65 2.851 10.137 -0.619 440 HD11 ILE 65 1HD1 ILE 65 3.111 6.852 -0.163 441 HD12 ILE 65 2HD1 ILE 65 1.403 6.434 -0.020 442 HD13 ILE 65 3HD1 ILE 65 2.381 5.723 -1.304 443 H LYS 66 H LYS 66 2.650 11.831 -2.313 444 HA LYS 66 HA LYS 66 5.403 12.455 -3.053 445 HB2 LYS 66 1HB LYS 66 2.980 13.965 -4.012 446 HB3 LYS 66 2HB LYS 66 4.566 14.719 -3.916 447 HG2 LYS 66 1HG LYS 66 5.418 12.870 -5.391 448 HG3 LYS 66 2HG LYS 66 3.735 12.391 -5.626 449 HD2 LYS 66 1HD LYS 66 3.384 14.878 -6.283 450 HD3 LYS 66 2HD LYS 66 5.135 14.887 -6.509 451 HE2 LYS 66 1HE LYS 66 4.977 13.096 -8.118 452 HE3 LYS 66 2HE LYS 66 3.247 12.934 -7.821 453 HZ1 LYS 66 1HZ LYS 66 2.926 14.397 -9.431 454 HZ2 LYS 66 2HZ LYS 66 4.585 14.677 -9.597 455 HZ3 LYS 66 3HZ LYS 66 3.682 15.582 -8.490 456 H GLY 67 H GLY 67 5.905 14.801 -2.232 457 HA2 GLY 67 1HA GLY 67 5.938 16.331 -0.501 458 HA3 GLY 67 2HA GLY 67 4.393 15.692 0.040 459 H LEU 68 H LEU 68 7.293 13.765 -0.428 460 HA LEU 68 HA LEU 68 7.227 13.104 2.427 461 HB2 LEU 68 1HB LEU 68 8.783 11.690 0.279 462 HB3 LEU 68 2HB LEU 68 8.373 11.100 1.888 463 HG LEU 68 HG LEU 68 6.296 11.635 -0.224 464 HD11 LEU 68 1HD1 LEU 68 8.061 9.272 0.190 465 HD12 LEU 68 2HD1 LEU 68 7.453 9.980 -1.306 466 HD13 LEU 68 3HD1 LEU 68 6.383 9.014 -0.289 467 HD21 LEU 68 1HD2 LEU 68 5.217 9.775 1.283 468 HD22 LEU 68 2HD2 LEU 68 5.160 11.472 1.759 469 HD23 LEU 68 3HD2 LEU 68 6.354 10.394 2.483 470 H SER 69 H SER 69 9.506 12.475 3.287 471 HA SER 69 HA SER 69 11.288 14.737 2.691 472 HB2 SER 69 1HB SER 69 10.846 13.097 5.181 473 HB3 SER 69 2HB SER 69 12.280 14.104 4.980 474 HG SER 69 HG SER 69 10.156 14.960 5.979 475 HA PRO 70 HA PRO 70 14.322 12.014 1.034 476 HB2 PRO 70 1HB PRO 70 16.536 13.529 1.449 477 HB3 PRO 70 2HB PRO 70 15.339 13.898 0.201 478 HG2 PRO 70 1HG PRO 70 15.661 15.089 2.929 479 HG3 PRO 70 2HG PRO 70 15.317 15.898 1.389 480 HD2 PRO 70 1HD PRO 70 13.390 15.358 3.214 481 HD3 PRO 70 2HD PRO 70 13.076 15.365 1.466 482 H ALA 71 H ALA 71 15.976 10.593 1.644 483 HA ALA 71 HA ALA 71 16.943 9.111 3.091 484 HB1 ALA 71 1HB ALA 71 18.506 10.094 4.664 485 HB2 ALA 71 2HB ALA 71 18.548 10.971 3.134 486 HB3 ALA 71 3HB ALA 71 17.700 11.657 4.519 487 H THR 72 H THR 72 14.345 9.039 3.586 488 HA THR 72 HA THR 72 14.223 8.800 6.506 489 HB THR 72 HB THR 72 12.015 10.038 4.848 490 HG1 THR 72 1HG THR 72 14.033 11.104 6.500 491 HG21 THR 72 1HG2 THR 72 10.943 10.440 7.033 492 HG22 THR 72 2HG2 THR 72 12.234 9.532 7.818 493 HG23 THR 72 3HG2 THR 72 11.141 8.721 6.697 494 H THR 73 H THR 73 13.100 7.052 7.244 495 HA THR 73 HA THR 73 12.511 4.983 5.342 496 HB THR 73 HB THR 73 11.889 4.882 8.290 497 HG1 THR 73 1HG THR 73 14.184 5.506 7.528 498 HG21 THR 73 1HG2 THR 73 12.546 2.454 7.874 499 HG22 THR 73 2HG2 THR 73 12.450 2.836 6.155 500 HG23 THR 73 3HG2 THR 73 11.019 2.992 7.174 501 H TYR 74 H TYR 74 10.524 4.008 4.932 502 HA TYR 74 HA TYR 74 8.120 5.245 6.033 503 HB2 TYR 74 1HB TYR 74 8.832 5.188 3.104 504 HB3 TYR 74 2HB TYR 74 7.171 5.350 3.664 505 HD1 TYR 74 1HD TYR 74 6.502 7.357 4.974 506 HD2 TYR 74 2HD TYR 74 10.339 7.030 3.164 507 HE1 TYR 74 1HE TYR 74 6.812 9.787 5.203 508 HE2 TYR 74 2HE TYR 74 10.659 9.458 3.390 509 HH TYR 74 HH TYR 74 8.907 11.369 5.366 510 H TYR 75 H TYR 75 6.161 4.014 5.554 511 HA TYR 75 HA TYR 75 6.607 1.261 4.669 512 HB2 TYR 75 1HB TYR 75 5.246 1.935 7.285 513 HB3 TYR 75 2HB TYR 75 5.497 0.325 6.619 514 HD1 TYR 75 1HD TYR 75 7.256 3.287 7.986 515 HD2 TYR 75 2HD TYR 75 7.511 -0.843 7.001 516 HE1 TYR 75 1HE TYR 75 9.412 3.147 9.161 517 HE2 TYR 75 2HE TYR 75 9.667 -0.996 8.175 518 HH TYR 75 HH TYR 75 10.833 1.490 10.210 519 H CYS 76 H CYS 76 4.766 0.212 3.892 520 HA CYS 76 HA CYS 76 2.234 1.652 3.900 521 HB2 CYS 76 1HB CYS 76 2.017 1.864 1.577 522 HB3 CYS 76 2HB CYS 76 3.684 2.341 1.877 523 HG CYS 76 HG CYS 76 4.875 0.339 0.655 524 H ARG 77 H ARG 77 0.452 0.346 3.651 525 HA ARG 77 HA ARG 77 0.890 -2.486 3.050 526 HB2 ARG 77 1HB ARG 77 -0.324 -3.228 4.991 527 HB3 ARG 77 2HB ARG 77 0.987 -2.184 5.521 528 HG2 ARG 77 1HG ARG 77 -0.530 -0.365 5.892 529 HG3 ARG 77 2HG ARG 77 -1.863 -1.280 5.183 530 HD2 ARG 77 1HD ARG 77 -2.274 -1.658 7.396 531 HD3 ARG 77 2HD ARG 77 -1.200 -3.015 7.061 532 HE ARG 77 HE ARG 77 0.321 -0.798 7.889 533 HH11 ARG 77 1HH1 ARG 77 -1.922 -3.151 9.135 534 HH12 ARG 77 2HH1 ARG 77 -1.278 -3.104 10.744 535 HH21 ARG 77 1HH2 ARG 77 1.176 -0.727 10.003 536 HH22 ARG 77 2HH2 ARG 77 0.482 -1.724 11.237 537 H VAL 78 H VAL 78 -0.802 -3.489 2.043 538 HA VAL 78 HA VAL 78 -3.242 -1.893 1.620 539 HB VAL 78 HB VAL 78 -1.722 -1.889 -0.380 540 HG11 VAL 78 1HG1 VAL 78 -2.352 -4.832 -0.308 541 HG12 VAL 78 2HG1 VAL 78 -1.761 -4.002 -1.748 542 HG13 VAL 78 3HG1 VAL 78 -0.766 -4.063 -0.293 543 HG21 VAL 78 1HG2 VAL 78 -3.928 -3.242 -1.583 544 HG22 VAL 78 2HG2 VAL 78 -4.511 -2.299 -0.211 545 HG23 VAL 78 3HG2 VAL 78 -3.602 -1.510 -1.500 546 H GLN 79 H GLN 79 -5.174 -3.012 1.491 547 HA GLN 79 HA GLN 79 -5.101 -5.923 1.778 548 HB2 GLN 79 1HB GLN 79 -6.300 -6.004 3.759 549 HB3 GLN 79 2HB GLN 79 -5.233 -4.634 4.038 550 HG2 GLN 79 1HG GLN 79 -7.104 -3.147 3.282 551 HG3 GLN 79 2HG GLN 79 -8.144 -4.572 3.296 552 HE21 GLN 79 1HE2 GLN 79 -9.369 -4.607 5.026 553 HE22 GLN 79 2HE2 GLN 79 -8.902 -4.142 6.623 554 H ALA 80 H ALA 80 -7.299 -6.892 1.555 555 HA ALA 80 HA ALA 80 -8.866 -5.345 -0.400 556 HB1 ALA 80 1HB ALA 80 -7.927 -8.088 -0.343 557 HB2 ALA 80 2HB ALA 80 -9.663 -7.982 -0.636 558 HB3 ALA 80 3HB ALA 80 -8.538 -7.129 -1.692 559 H LEU 81 H LEU 81 -10.812 -4.677 0.203 560 HA LEU 81 HA LEU 81 -12.034 -5.830 2.595 561 HB2 LEU 81 1HB LEU 81 -12.402 -3.271 1.086 562 HB3 LEU 81 2HB LEU 81 -13.634 -3.831 2.216 563 HG LEU 81 HG LEU 81 -11.576 -3.946 3.866 564 HD11 LEU 81 1HD1 LEU 81 -10.153 -1.877 3.356 565 HD12 LEU 81 2HD1 LEU 81 -10.695 -2.081 1.691 566 HD13 LEU 81 3HD1 LEU 81 -9.788 -3.367 2.487 567 HD21 LEU 81 1HD2 LEU 81 -13.553 -1.940 3.187 568 HD22 LEU 81 2HD2 LEU 81 -12.113 -1.228 3.918 569 HD23 LEU 81 3HD2 LEU 81 -13.001 -2.493 4.768 570 H SER 82 H SER 82 -14.059 -6.739 2.626 571 HA SER 82 HA SER 82 -15.397 -7.090 0.027 572 HB2 SER 82 1HB SER 82 -16.014 -9.413 0.843 573 HB3 SER 82 2HB SER 82 -14.314 -9.178 0.435 574 HG SER 82 HG SER 82 -14.574 -10.261 2.434 575 H VAL 83 H VAL 83 -17.632 -8.363 0.671 576 HA VAL 83 HA VAL 83 -19.021 -6.428 2.359 577 HB VAL 83 HB VAL 83 -21.084 -7.668 1.465 578 HG11 VAL 83 1HG1 VAL 83 -20.739 -5.542 0.604 579 HG12 VAL 83 2HG1 VAL 83 -19.217 -5.991 -0.169 580 HG13 VAL 83 3HG1 VAL 83 -20.749 -6.550 -0.842 581 HG21 VAL 83 1HG2 VAL 83 -19.237 -9.469 0.570 582 HG22 VAL 83 2HG2 VAL 83 -20.888 -9.324 -0.035 583 HG23 VAL 83 3HG2 VAL 83 -19.564 -8.526 -0.884 584 H VAL 84 H VAL 84 -17.601 -9.400 2.730 585 HA VAL 84 HA VAL 84 -19.468 -10.166 4.881 586 HB VAL 84 HB VAL 84 -19.032 -11.770 2.876 587 HG11 VAL 84 1HG1 VAL 84 -17.125 -13.202 3.068 588 HG12 VAL 84 2HG1 VAL 84 -16.552 -11.532 3.042 589 HG13 VAL 84 3HG1 VAL 84 -16.623 -12.419 4.566 590 HG21 VAL 84 1HG2 VAL 84 -20.241 -12.276 5.005 591 HG22 VAL 84 2HG2 VAL 84 -19.429 -13.664 4.281 592 HG23 VAL 84 3HG2 VAL 84 -18.713 -12.849 5.672 593 H GLY 85 H GLY 85 -16.489 -8.830 4.275 594 HA2 GLY 85 1HA GLY 85 -15.679 -8.632 6.906 595 HA3 GLY 85 2HA GLY 85 -14.913 -10.091 6.293 596 H ALA 86 H ALA 86 -13.008 -8.676 6.938 597 HA ALA 86 HA ALA 86 -12.160 -7.149 4.568 598 HB1 ALA 86 1HB ALA 86 -12.615 -6.067 7.099 599 HB2 ALA 86 2HB ALA 86 -10.862 -6.205 6.962 600 HB3 ALA 86 3HB ALA 86 -11.771 -5.306 5.748 601 H GLY 87 H GLY 87 -10.370 -7.932 3.671 602 HA2 GLY 87 1HA GLY 87 -8.960 -10.125 4.774 603 HA3 GLY 87 2HA GLY 87 -8.482 -9.201 3.357 604 HA PRO 88 HA PRO 88 -5.869 -8.282 7.280 605 HB2 PRO 88 1HB PRO 88 -3.831 -10.040 6.930 606 HB3 PRO 88 2HB PRO 88 -5.271 -10.416 7.885 607 HG2 PRO 88 1HG PRO 88 -4.620 -11.174 5.063 608 HG3 PRO 88 2HG PRO 88 -5.337 -12.161 6.351 609 HD2 PRO 88 1HD PRO 88 -6.819 -11.027 4.388 610 HD3 PRO 88 2HD PRO 88 -7.441 -11.273 6.033 611 H PHE 89 H PHE 89 -4.168 -6.877 7.153 612 HA PHE 89 HA PHE 89 -3.510 -5.739 4.680 613 HB2 PHE 89 1HB PHE 89 -2.478 -5.472 7.466 614 HB3 PHE 89 2HB PHE 89 -1.514 -4.797 6.157 615 HD1 PHE 89 2HD PHE 89 -2.969 -3.378 4.416 616 HD2 PHE 89 1HD PHE 89 -3.973 -4.080 8.491 617 HE1 PHE 89 2HE PHE 89 -4.387 -1.367 4.409 618 HE2 PHE 89 1HE PHE 89 -5.394 -2.071 8.491 619 HZ PHE 89 HZ PHE 89 -5.602 -0.711 6.448 620 H SER 90 H SER 90 -1.896 -6.051 3.249 621 HA SER 90 HA SER 90 -0.552 -8.507 3.150 622 HB2 SER 90 1HB SER 90 0.751 -7.473 1.286 623 HB3 SER 90 2HB SER 90 -0.991 -7.256 1.122 624 HG SER 90 HG SER 90 0.985 -5.375 1.794 625 H GLU 91 H GLU 91 1.954 -8.508 2.746 626 HA GLU 91 HA GLU 91 3.184 -8.057 5.232 627 HB2 GLU 91 1HB GLU 91 4.265 -8.707 2.499 628 HB3 GLU 91 2HB GLU 91 5.331 -8.473 3.878 629 HG2 GLU 91 1HG GLU 91 4.363 -10.316 5.036 630 HG3 GLU 91 2HG GLU 91 3.087 -10.473 3.829 631 H VAL 92 H VAL 92 3.652 -6.148 6.086 632 HA VAL 92 HA VAL 92 3.646 -3.685 4.933 633 HB VAL 92 HB VAL 92 5.514 -4.558 7.143 634 HG11 VAL 92 1HG1 VAL 92 5.885 -2.346 7.665 635 HG12 VAL 92 2HG1 VAL 92 5.822 -2.277 5.903 636 HG13 VAL 92 3HG1 VAL 92 4.417 -1.798 6.856 637 HG21 VAL 92 1HG2 VAL 92 3.367 -5.110 7.878 638 HG22 VAL 92 2HG2 VAL 92 3.646 -3.506 8.556 639 HG23 VAL 92 3HG2 VAL 92 2.641 -3.693 7.120 640 H VAL 93 H VAL 93 4.781 -2.726 3.390 641 HA VAL 93 HA VAL 93 7.405 -3.822 2.668 642 HB VAL 93 HB VAL 93 5.848 -1.822 1.047 643 HG11 VAL 93 1HG1 VAL 93 7.417 -2.122 -0.516 644 HG12 VAL 93 2HG1 VAL 93 8.380 -2.850 0.772 645 HG13 VAL 93 3HG1 VAL 93 7.422 -3.872 -0.302 646 HG21 VAL 93 1HG2 VAL 93 5.519 -4.806 1.163 647 HG22 VAL 93 2HG2 VAL 93 4.278 -3.560 1.294 648 HG23 VAL 93 3HG2 VAL 93 5.065 -3.861 -0.255 649 H ALA 94 H ALA 94 8.920 -2.838 3.892 650 HA ALA 94 HA ALA 94 8.779 -0.021 4.510 651 HB1 ALA 94 1HB ALA 94 10.569 -0.367 5.943 652 HB2 ALA 94 2HB ALA 94 9.729 -1.918 5.984 653 HB3 ALA 94 3HB ALA 94 11.186 -1.729 5.007 654 H CYS 95 H CYS 95 10.160 1.589 3.780 655 HA CYS 95 HA CYS 95 12.130 0.967 1.739 656 HB2 CYS 95 1HB CYS 95 11.154 2.096 -0.033 657 HB3 CYS 95 2HB CYS 95 9.752 1.340 0.711 658 HG CYS 95 HG CYS 95 10.658 4.620 0.765 659 H VAL 96 H VAL 96 13.473 2.816 1.184 660 HA VAL 96 HA VAL 96 13.347 5.006 3.143 661 HB VAL 96 HB VAL 96 15.826 3.462 2.372 662 HG11 VAL 96 1HG1 VAL 96 15.668 6.153 2.959 663 HG12 VAL 96 2HG1 VAL 96 16.095 5.417 4.505 664 HG13 VAL 96 3HG1 VAL 96 17.107 5.143 3.087 665 HG21 VAL 96 1HG2 VAL 96 13.963 3.313 4.603 666 HG22 VAL 96 2HG2 VAL 96 15.202 2.170 4.086 667 HG23 VAL 96 3HG2 VAL 96 15.636 3.533 5.119 668 H THR 97 H THR 97 13.370 6.931 2.202 669 HA THR 97 HA THR 97 13.782 7.215 -0.609 670 HB THR 97 HB THR 97 13.552 9.698 -0.088 671 HG1 THR 97 1HG THR 97 13.127 10.287 1.968 672 HG21 THR 97 1HG2 THR 97 11.095 9.256 0.814 673 HG22 THR 97 2HG2 THR 97 11.514 7.591 0.409 674 HG23 THR 97 3HG2 THR 97 11.567 8.841 -0.833 675 HA PRO 98 HA PRO 98 18.081 8.126 -0.765 676 HB2 PRO 98 1HB PRO 98 18.146 9.750 -2.939 677 HB3 PRO 98 2HB PRO 98 17.883 8.007 -3.051 678 HG2 PRO 98 1HG PRO 98 15.883 10.233 -3.125 679 HG3 PRO 98 2HG PRO 98 15.973 8.776 -4.132 680 HD2 PRO 98 1HD PRO 98 14.279 8.992 -2.030 681 HD3 PRO 98 2HD PRO 98 15.006 7.448 -2.514 682 HA PRO 99 HA PRO 99 18.776 11.935 1.344 683 HB2 PRO 99 1HB PRO 99 21.424 12.250 0.840 684 HB3 PRO 99 2HB PRO 99 20.800 11.049 1.975 685 HG2 PRO 99 1HG PRO 99 21.679 10.695 -0.864 686 HG3 PRO 99 2HG PRO 99 22.003 9.667 0.543 687 HD2 PRO 99 1HD PRO 99 20.093 9.077 -1.283 688 HD3 PRO 99 2HD PRO 99 19.938 8.650 0.433 689 H SER 100 H SER 100 18.620 14.061 0.894 690 HA SER 100 HA SER 100 19.098 14.894 -1.890 691 HB2 SER 100 1HB SER 100 17.266 16.293 -1.783 692 HB3 SER 100 2HB SER 100 16.741 15.018 -0.684 693 HG SER 100 HG SER 100 17.370 17.639 -0.168 694 H SER 101 H SER 101 19.223 16.118 1.452 695 HA SER 101 HA SER 101 21.088 18.205 0.628 696 HB2 SER 101 1HB SER 101 19.886 17.657 3.354 697 HB3 SER 101 2HB SER 101 20.801 19.090 2.888 698 HG SER 101 HG SER 101 18.487 19.355 2.817 699 H GLY 102 H GLY 102 23.211 17.932 0.732 700 HA2 GLY 102 1HA GLY 102 25.060 17.418 2.340 701 HA3 GLY 102 2HA GLY 102 24.259 15.871 2.572 702 HA PRO 103 HA PRO 103 26.998 14.290 -0.497 703 HB2 PRO 103 1HB PRO 103 25.719 11.943 -0.973 704 HB3 PRO 103 2HB PRO 103 26.667 12.242 0.489 705 HG2 PRO 103 1HG PRO 103 23.703 12.383 0.092 706 HG3 PRO 103 2HG PRO 103 24.618 11.686 1.440 707 HD2 PRO 103 1HD PRO 103 23.465 14.132 1.573 708 HD3 PRO 103 2HD PRO 103 24.971 13.739 2.428 709 H SER 104 H SER 104 26.561 15.825 -2.152 710 HA SER 104 HA SER 104 24.272 15.512 -3.866 711 HB2 SER 104 1HB SER 104 26.654 17.326 -3.798 712 HB3 SER 104 2HB SER 104 25.717 17.199 -5.286 713 HG SER 104 HG SER 104 23.865 17.536 -3.659 714 H SER 105 H SER 105 24.099 14.125 -5.486 715 HA SER 105 HA SER 105 26.303 13.539 -7.233 716 HB2 SER 105 1HB SER 105 26.363 11.126 -6.843 717 HB3 SER 105 2HB SER 105 26.761 11.988 -5.357 718 HG SER 105 HG SER 105 24.177 11.002 -5.994 719 H GLY 106 H GLY 106 25.538 11.592 -8.748 720 HA2 GLY 106 1HA GLY 106 22.663 11.941 -9.300 721 HA3 GLY 106 2HA GLY 106 23.845 12.165 -10.580 Start of MODEL 6 1 H1 GLY 1 H GLY 1 -4.219 -18.942 16.183 2 HA2 GLY 1 1HA GLY 1 -2.220 -16.828 15.661 3 HA3 GLY 1 2HA GLY 1 -2.754 -17.949 14.416 4 H SER 2 H SER 2 -3.466 -16.267 13.079 5 HA SER 2 HA SER 2 -5.422 -14.376 14.016 6 HB2 SER 2 1HB SER 2 -3.644 -14.139 12.090 7 HB3 SER 2 2HB SER 2 -4.913 -14.866 11.105 8 HG SER 2 HG SER 2 -5.519 -12.692 12.777 9 H SER 3 H SER 3 -7.522 -14.742 14.194 10 HA SER 3 HA SER 3 -8.688 -17.145 13.086 11 HB2 SER 3 1HB SER 3 -10.685 -16.513 14.355 12 HB3 SER 3 2HB SER 3 -9.251 -16.409 15.376 13 HG SER 3 HG SER 3 -10.032 -14.114 13.996 14 H GLY 4 H GLY 4 -9.372 -17.186 11.052 15 HA2 GLY 4 1HA GLY 4 -11.146 -15.092 10.099 16 HA3 GLY 4 2HA GLY 4 -9.635 -15.254 9.216 17 H SER 5 H SER 5 -12.770 -16.046 9.084 18 HA SER 5 HA SER 5 -12.225 -18.517 7.576 19 HB2 SER 5 1HB SER 5 -13.441 -18.955 9.715 20 HB3 SER 5 2HB SER 5 -14.749 -17.923 9.139 21 HG SER 5 HG SER 5 -14.760 -19.415 7.257 22 H SER 6 H SER 6 -14.601 -15.896 7.998 23 HA SER 6 HA SER 6 -15.458 -16.201 5.232 24 HB2 SER 6 1HB SER 6 -16.442 -14.404 7.461 25 HB3 SER 6 2HB SER 6 -17.130 -14.439 5.838 26 HG SER 6 HG SER 6 -17.562 -16.690 6.203 27 H GLY 7 H GLY 7 -13.839 -15.424 3.942 28 HA2 GLY 7 1HA GLY 7 -13.705 -12.769 3.278 29 HA3 GLY 7 2HA GLY 7 -12.460 -12.973 4.503 30 HA PRO 8 HA PRO 8 -11.014 -14.218 0.142 31 HB2 PRO 8 1HB PRO 8 -9.469 -12.050 -0.391 32 HB3 PRO 8 2HB PRO 8 -11.175 -12.149 -0.842 33 HG2 PRO 8 1HG PRO 8 -9.911 -10.789 1.506 34 HG3 PRO 8 2HG PRO 8 -11.205 -10.210 0.441 35 HD2 PRO 8 1HD PRO 8 -11.693 -11.255 2.890 36 HD3 PRO 8 2HD PRO 8 -12.824 -11.434 1.534 37 H ASP 9 H ASP 9 -8.638 -14.341 -0.528 38 HA ASP 9 HA ASP 9 -7.132 -15.297 1.739 39 HB2 ASP 9 1HB ASP 9 -6.840 -15.411 -1.228 40 HB3 ASP 9 2HB ASP 9 -5.399 -15.647 -0.242 41 H GLN 10 H GLN 10 -4.907 -14.674 2.155 42 HA GLN 10 HA GLN 10 -4.538 -12.015 2.686 43 HB2 GLN 10 1HB GLN 10 -3.080 -13.530 3.745 44 HB3 GLN 10 2HB GLN 10 -2.556 -14.227 2.217 45 HG2 GLN 10 1HG GLN 10 -1.169 -12.429 1.728 46 HG3 GLN 10 2HG GLN 10 -1.982 -11.367 2.876 47 HE21 GLN 10 1HE2 GLN 10 0.344 -11.012 3.432 48 HE22 GLN 10 2HE2 GLN 10 1.034 -12.039 4.638 49 H CYS 11 H CYS 11 -3.195 -10.373 1.754 50 HA CYS 11 HA CYS 11 -3.125 -10.526 -1.182 51 HB2 CYS 11 1HB CYS 11 -3.099 -8.039 0.536 52 HB3 CYS 11 2HB CYS 11 -3.298 -8.118 -1.210 53 HG CYS 11 HG CYS 11 -5.702 -9.903 -0.423 54 H LYS 12 H LYS 12 -1.290 -9.987 -2.310 55 HA LYS 12 HA LYS 12 1.194 -10.302 -0.920 56 HB2 LYS 12 1HB LYS 12 0.497 -9.769 -3.806 57 HB3 LYS 12 2HB LYS 12 2.159 -9.882 -3.242 58 HG2 LYS 12 1HG LYS 12 0.283 -12.098 -2.598 59 HG3 LYS 12 2HG LYS 12 0.915 -11.963 -4.240 60 HD2 LYS 12 1HD LYS 12 3.216 -11.725 -3.028 61 HD3 LYS 12 2HD LYS 12 2.368 -12.488 -1.680 62 HE2 LYS 12 1HE LYS 12 1.665 -14.283 -3.329 63 HE3 LYS 12 2HE LYS 12 2.835 -13.579 -4.445 64 HZ1 LYS 12 1HZ LYS 12 3.944 -15.311 -3.344 65 HZ2 LYS 12 2HZ LYS 12 3.359 -14.852 -1.824 66 HZ3 LYS 12 3HZ LYS 12 4.511 -13.895 -2.611 67 HA PRO 13 HA PRO 13 2.304 -6.115 -0.197 68 HB2 PRO 13 1HB PRO 13 5.000 -6.239 -0.489 69 HB3 PRO 13 2HB PRO 13 4.151 -6.924 0.902 70 HG2 PRO 13 1HG PRO 13 5.176 -8.294 -1.554 71 HG3 PRO 13 2HG PRO 13 5.271 -8.814 0.139 72 HD2 PRO 13 1HD PRO 13 3.434 -9.801 -1.589 73 HD3 PRO 13 2HD PRO 13 3.107 -9.609 0.146 74 HA PRO 14 HA PRO 14 2.469 -4.191 -4.187 75 HB2 PRO 14 1HB PRO 14 2.789 -1.634 -3.333 76 HB3 PRO 14 2HB PRO 14 1.246 -2.492 -3.239 77 HG2 PRO 14 1HG PRO 14 3.293 -2.035 -1.102 78 HG3 PRO 14 2HG PRO 14 1.527 -1.915 -1.003 79 HD2 PRO 14 1HD PRO 14 2.893 -4.076 -0.112 80 HD3 PRO 14 2HD PRO 14 1.259 -4.195 -0.795 81 H GLN 15 H GLN 15 3.906 -2.689 -5.411 82 HA GLN 15 HA GLN 15 6.706 -3.113 -4.616 83 HB2 GLN 15 1HB GLN 15 5.622 -3.990 -6.861 84 HB3 GLN 15 2HB GLN 15 5.937 -2.345 -7.397 85 HG2 GLN 15 1HG GLN 15 8.322 -2.686 -6.665 86 HG3 GLN 15 2HG GLN 15 7.924 -4.392 -6.464 87 HE21 GLN 15 1HE2 GLN 15 8.815 -1.944 -8.631 88 HE22 GLN 15 2HE2 GLN 15 8.730 -2.868 -10.088 89 H VAL 16 H VAL 16 7.552 -1.369 -3.690 90 HA VAL 16 HA VAL 16 6.593 1.288 -4.327 91 HB VAL 16 HB VAL 16 8.428 1.960 -2.662 92 HG11 VAL 16 1HG1 VAL 16 6.370 0.118 -1.492 93 HG12 VAL 16 2HG1 VAL 16 6.983 1.644 -0.853 94 HG13 VAL 16 3HG1 VAL 16 5.916 1.639 -2.258 95 HG21 VAL 16 1HG2 VAL 16 8.340 -0.815 -1.633 96 HG22 VAL 16 2HG2 VAL 16 9.389 -0.507 -3.016 97 HG23 VAL 16 3HG2 VAL 16 9.616 0.397 -1.519 98 H THR 17 H THR 17 7.632 2.823 -5.488 99 HA THR 17 HA THR 17 10.316 2.204 -6.518 100 HB THR 17 HB THR 17 7.996 3.239 -8.158 101 HG1 THR 17 1HG THR 17 7.863 1.034 -8.035 102 HG21 THR 17 1HG2 THR 17 9.741 4.359 -9.141 103 HG22 THR 17 2HG2 THR 17 9.849 2.819 -9.996 104 HG23 THR 17 3HG2 THR 17 10.932 3.158 -8.646 105 H CYS 18 H CYS 18 11.238 3.687 -5.087 106 HA CYS 18 HA CYS 18 10.414 6.250 -4.510 107 HB2 CYS 18 1HB CYS 18 12.761 6.743 -3.974 108 HB3 CYS 18 2HB CYS 18 12.286 5.160 -3.370 109 HG CYS 18 HG CYS 18 13.562 3.748 -5.422 110 H ARG 19 H ARG 19 9.657 7.548 -6.095 111 HA ARG 19 HA ARG 19 10.862 7.782 -8.662 112 HB2 ARG 19 1HB ARG 19 8.781 9.404 -7.206 113 HB3 ARG 19 2HB ARG 19 9.340 9.829 -8.818 114 HG2 ARG 19 1HG ARG 19 8.230 7.117 -8.174 115 HG3 ARG 19 2HG ARG 19 7.207 8.472 -8.655 116 HD2 ARG 19 1HD ARG 19 7.631 7.333 -10.652 117 HD3 ARG 19 2HD ARG 19 8.760 8.687 -10.677 118 HE ARG 19 HE ARG 19 9.896 6.316 -9.546 119 HH11 ARG 19 1HH1 ARG 19 9.170 7.966 -12.524 120 HH12 ARG 19 2HH1 ARG 19 10.418 7.169 -13.422 121 HH21 ARG 19 1HH2 ARG 19 11.542 5.259 -10.718 122 HH22 ARG 19 2HH2 ARG 19 11.767 5.627 -12.394 123 H SER 20 H SER 20 11.071 9.620 -5.669 124 HA SER 20 HA SER 20 13.566 10.778 -6.475 125 HB2 SER 20 1HB SER 20 11.242 12.662 -6.017 126 HB3 SER 20 2HB SER 20 12.906 13.112 -6.387 127 HG SER 20 HG SER 20 12.451 11.682 -8.352 128 H ALA 21 H ALA 21 14.158 12.565 -4.722 129 HA ALA 21 HA ALA 21 14.378 11.251 -2.273 130 HB1 ALA 21 1HB ALA 21 15.375 13.601 -3.410 131 HB2 ALA 21 2HB ALA 21 14.563 14.101 -1.927 132 HB3 ALA 21 3HB ALA 21 15.833 12.879 -1.867 133 H THR 22 H THR 22 11.870 13.295 -3.518 134 HA THR 22 HA THR 22 10.452 13.064 -0.947 135 HB THR 22 HB THR 22 9.433 15.223 -1.259 136 HG1 THR 22 1HG THR 22 9.229 15.774 -3.303 137 HG21 THR 22 1HG2 THR 22 11.196 16.393 -0.485 138 HG22 THR 22 2HG2 THR 22 12.174 16.051 -1.913 139 HG23 THR 22 3HG2 THR 22 12.057 14.859 -0.618 140 H CYS 23 H CYS 23 10.496 11.682 -3.740 141 HA CYS 23 HA CYS 23 7.570 11.697 -4.072 142 HB2 CYS 23 1HB CYS 23 9.636 11.380 -6.260 143 HB3 CYS 23 2HB CYS 23 7.892 11.290 -6.476 144 HG CYS 23 HG CYS 23 7.438 13.823 -6.683 145 H ALA 24 H ALA 24 6.603 9.707 -4.658 146 HA ALA 24 HA ALA 24 8.199 7.311 -4.818 147 HB1 ALA 24 1HB ALA 24 7.967 7.934 -2.332 148 HB2 ALA 24 2HB ALA 24 6.290 7.418 -2.511 149 HB3 ALA 24 3HB ALA 24 7.600 6.279 -2.821 150 H GLN 25 H GLN 25 6.881 5.385 -5.196 151 HA GLN 25 HA GLN 25 4.101 5.908 -5.940 152 HB2 GLN 25 1HB GLN 25 5.535 6.258 -7.957 153 HB3 GLN 25 2HB GLN 25 6.066 4.587 -7.817 154 HG2 GLN 25 1HG GLN 25 3.952 3.748 -8.359 155 HG3 GLN 25 2HG GLN 25 3.166 5.298 -8.061 156 HE21 GLN 25 1HE2 GLN 25 2.360 4.481 -10.278 157 HE22 GLN 25 2HE2 GLN 25 3.208 5.107 -11.646 158 H VAL 26 H VAL 26 2.753 4.149 -5.786 159 HA VAL 26 HA VAL 26 3.986 1.633 -4.869 160 HB VAL 26 HB VAL 26 1.269 2.475 -3.927 161 HG11 VAL 26 1HG1 VAL 26 1.951 0.179 -3.547 162 HG12 VAL 26 2HG1 VAL 26 3.434 0.726 -2.762 163 HG13 VAL 26 3HG1 VAL 26 1.868 1.048 -2.015 164 HG21 VAL 26 1HG2 VAL 26 3.917 3.408 -2.859 165 HG22 VAL 26 2HG2 VAL 26 2.493 4.367 -3.263 166 HG23 VAL 26 3HG2 VAL 26 2.478 3.320 -1.843 167 H ASN 27 H ASN 27 2.910 -0.301 -5.415 168 HA ASN 27 HA ASN 27 0.644 -0.146 -7.239 169 HB2 ASN 27 1HB ASN 27 3.350 -1.239 -8.004 170 HB3 ASN 27 2HB ASN 27 1.874 -1.708 -8.843 171 HD21 ASN 27 1HD2 ASN 27 4.396 0.450 -8.760 172 HD22 ASN 27 2HD2 ASN 27 3.743 1.671 -9.793 173 H TRP 28 H TRP 28 -0.666 -1.907 -7.146 174 HA TRP 28 HA TRP 28 0.303 -4.321 -5.806 175 HB2 TRP 28 1HB TRP 28 -1.756 -4.390 -4.402 176 HB3 TRP 28 2HB TRP 28 -0.687 -3.049 -4.006 177 HD1 TRP 28 HD TRP 28 -4.159 -3.817 -5.328 178 HE1 TRP 28 1HE TRP 28 -5.497 -1.626 -5.502 179 HE3 TRP 28 3HE TRP 28 -0.384 -0.485 -4.441 180 HZ2 TRP 28 2HZ TRP 28 -5.018 1.148 -5.291 181 HZ3 TRP 28 3HZ TRP 28 -0.907 1.918 -4.445 182 HH2 TRP 28 HH TRP 28 -3.176 2.716 -4.862 183 H GLU 29 H GLU 29 -1.763 -5.916 -5.742 184 HA GLU 29 HA GLU 29 -3.284 -5.726 -8.218 185 HB2 GLU 29 1HB GLU 29 -1.116 -7.705 -7.700 186 HB3 GLU 29 2HB GLU 29 -2.560 -8.268 -8.530 187 HG2 GLU 29 1HG GLU 29 -2.202 -6.887 -10.361 188 HG3 GLU 29 2HG GLU 29 -1.114 -5.826 -9.469 189 H VAL 30 H VAL 30 -4.754 -7.742 -8.406 190 HA VAL 30 HA VAL 30 -5.987 -8.130 -5.780 191 HB VAL 30 HB VAL 30 -7.204 -8.961 -8.399 192 HG11 VAL 30 1HG1 VAL 30 -9.273 -8.235 -6.978 193 HG12 VAL 30 2HG1 VAL 30 -8.512 -9.803 -6.700 194 HG13 VAL 30 3HG1 VAL 30 -8.168 -8.451 -5.620 195 HG21 VAL 30 1HG2 VAL 30 -7.075 -6.806 -9.030 196 HG22 VAL 30 2HG2 VAL 30 -8.390 -6.574 -7.877 197 HG23 VAL 30 3HG2 VAL 30 -6.726 -6.243 -7.394 198 HA PRO 31 HA PRO 31 -4.361 -12.263 -5.668 199 HB2 PRO 31 1HB PRO 31 -5.686 -13.044 -3.431 200 HB3 PRO 31 2HB PRO 31 -4.266 -11.992 -3.389 201 HG2 PRO 31 1HG PRO 31 -7.165 -11.267 -3.222 202 HG3 PRO 31 2HG PRO 31 -5.801 -10.645 -2.276 203 HD2 PRO 31 1HD PRO 31 -6.862 -9.289 -4.365 204 HD3 PRO 31 2HD PRO 31 -5.140 -9.199 -3.944 205 H LEU 32 H LEU 32 -5.726 -14.427 -4.756 206 HA LEU 32 HA LEU 32 -7.843 -14.715 -6.768 207 HB2 LEU 32 1HB LEU 32 -5.855 -16.222 -6.844 208 HB3 LEU 32 2HB LEU 32 -6.358 -16.878 -5.288 209 HG LEU 32 HG LEU 32 -8.570 -17.438 -6.532 210 HD11 LEU 32 1HD1 LEU 32 -7.864 -16.120 -8.560 211 HD12 LEU 32 2HD1 LEU 32 -8.424 -17.763 -8.870 212 HD13 LEU 32 3HD1 LEU 32 -6.697 -17.402 -8.885 213 HD21 LEU 32 1HD2 LEU 32 -6.582 -18.936 -5.718 214 HD22 LEU 32 2HD2 LEU 32 -6.266 -19.095 -7.447 215 HD23 LEU 32 3HD2 LEU 32 -7.823 -19.595 -6.784 216 H SER 33 H SER 33 -9.434 -13.693 -5.422 217 HA SER 33 HA SER 33 -10.150 -14.959 -2.920 218 HB2 SER 33 1HB SER 33 -11.488 -12.723 -4.463 219 HB3 SER 33 2HB SER 33 -11.946 -13.255 -2.845 220 HG SER 33 HG SER 33 -10.427 -11.390 -3.082 221 H ASN 34 H ASN 34 -10.536 -17.076 -3.923 222 HA ASN 34 HA ASN 34 -12.487 -17.615 -5.826 223 HB2 ASN 34 1HB ASN 34 -12.659 -19.844 -4.366 224 HB3 ASN 34 2HB ASN 34 -11.264 -19.498 -5.383 225 HD21 ASN 34 1HD2 ASN 34 -12.192 -18.134 -2.259 226 HD22 ASN 34 2HD2 ASN 34 -10.772 -18.646 -1.416 227 H GLY 35 H GLY 35 -14.216 -16.148 -5.368 228 HA2 GLY 35 1HA GLY 35 -16.568 -16.859 -4.629 229 HA3 GLY 35 2HA GLY 35 -15.852 -16.865 -3.024 230 H THR 36 H THR 36 -15.131 -14.861 -2.120 231 HA THR 36 HA THR 36 -16.896 -12.697 -2.723 232 HB THR 36 HB THR 36 -15.437 -11.482 -0.977 233 HG1 THR 36 1HG THR 36 -14.259 -13.071 0.331 234 HG21 THR 36 1HG2 THR 36 -16.468 -13.868 0.375 235 HG22 THR 36 2HG2 THR 36 -17.605 -13.134 -0.756 236 HG23 THR 36 3HG2 THR 36 -16.925 -12.176 0.559 237 H ASP 37 H ASP 37 -16.447 -10.698 -3.594 238 HA ASP 37 HA ASP 37 -13.948 -10.540 -5.131 239 HB2 ASP 37 1HB ASP 37 -15.069 -9.360 -6.758 240 HB3 ASP 37 2HB ASP 37 -16.386 -10.349 -6.134 241 H VAL 38 H VAL 38 -12.804 -8.539 -5.253 242 HA VAL 38 HA VAL 38 -12.746 -7.148 -2.721 243 HB VAL 38 HB VAL 38 -11.066 -6.590 -5.165 244 HG11 VAL 38 1HG1 VAL 38 -10.226 -4.951 -3.925 245 HG12 VAL 38 2HG1 VAL 38 -11.246 -5.410 -2.561 246 HG13 VAL 38 3HG1 VAL 38 -9.661 -6.155 -2.768 247 HG21 VAL 38 1HG2 VAL 38 -9.365 -8.004 -3.843 248 HG22 VAL 38 2HG2 VAL 38 -10.776 -8.653 -3.007 249 HG23 VAL 38 3HG2 VAL 38 -10.622 -8.841 -4.755 250 H THR 39 H THR 39 -14.094 -5.522 -2.346 251 HA THR 39 HA THR 39 -15.352 -4.038 -4.446 252 HB THR 39 HB THR 39 -16.208 -2.619 -2.499 253 HG1 THR 39 1HG THR 39 -15.211 -4.751 -0.913 254 HG21 THR 39 1HG2 THR 39 -17.533 -4.694 -1.582 255 HG22 THR 39 2HG2 THR 39 -16.730 -5.529 -2.911 256 HG23 THR 39 3HG2 THR 39 -17.768 -4.142 -3.240 257 H GLU 40 H GLU 40 -13.211 -3.030 -1.770 258 HA GLU 40 HA GLU 40 -12.021 -1.039 -3.563 259 HB2 GLU 40 1HB GLU 40 -12.131 0.688 -1.852 260 HB3 GLU 40 2HB GLU 40 -13.747 0.114 -2.241 261 HG2 GLU 40 1HG GLU 40 -12.323 -1.146 0.038 262 HG3 GLU 40 2HG GLU 40 -12.963 0.483 0.245 263 H TYR 41 H TYR 41 -10.075 0.025 -2.374 264 HA TYR 41 HA TYR 41 -8.642 -2.049 -0.850 265 HB2 TYR 41 1HB TYR 41 -7.777 -0.499 -3.260 266 HB3 TYR 41 2HB TYR 41 -6.570 -0.978 -2.072 267 HD1 TYR 41 1HD TYR 41 -8.936 -2.167 -4.606 268 HD2 TYR 41 2HD TYR 41 -5.975 -3.309 -1.771 269 HE1 TYR 41 1HE TYR 41 -8.815 -4.396 -5.639 270 HE2 TYR 41 2HE TYR 41 -5.844 -5.540 -2.798 271 HH TYR 41 HH TYR 41 -7.749 -6.353 -5.677 272 H ARG 42 H ARG 42 -7.688 -1.387 0.974 273 HA ARG 42 HA ARG 42 -7.673 1.499 1.535 274 HB2 ARG 42 1HB ARG 42 -8.101 -0.924 3.211 275 HB3 ARG 42 2HB ARG 42 -7.320 0.459 3.964 276 HG2 ARG 42 1HG ARG 42 -9.316 1.797 2.990 277 HG3 ARG 42 2HG ARG 42 -10.088 0.214 2.875 278 HD2 ARG 42 1HD ARG 42 -8.830 1.235 5.410 279 HD3 ARG 42 2HD ARG 42 -10.518 1.534 4.997 280 HE ARG 42 HE ARG 42 -9.726 -1.241 4.923 281 HH11 ARG 42 1HH1 ARG 42 -11.018 1.357 6.848 282 HH12 ARG 42 2HH1 ARG 42 -11.786 0.304 7.989 283 HH21 ARG 42 1HH2 ARG 42 -10.735 -2.638 6.418 284 HH22 ARG 42 2HH2 ARG 42 -11.625 -1.968 7.744 285 H LEU 43 H LEU 43 -5.720 2.265 0.962 286 HA LEU 43 HA LEU 43 -3.327 0.761 1.756 287 HB2 LEU 43 1HB LEU 43 -3.518 1.409 -0.605 288 HB3 LEU 43 2HB LEU 43 -3.610 3.101 -0.124 289 HG LEU 43 HG LEU 43 -1.316 2.969 0.742 290 HD11 LEU 43 1HD1 LEU 43 -0.474 0.561 -0.533 291 HD12 LEU 43 2HD1 LEU 43 -1.775 0.190 0.598 292 HD13 LEU 43 3HD1 LEU 43 -0.330 1.031 1.161 293 HD21 LEU 43 1HD2 LEU 43 -0.289 2.328 -1.615 294 HD22 LEU 43 2HD2 LEU 43 -1.218 3.808 -1.373 295 HD23 LEU 43 3HD2 LEU 43 -1.986 2.391 -2.092 296 H GLU 44 H GLU 44 -2.078 1.437 3.375 297 HA GLU 44 HA GLU 44 -2.512 4.160 4.413 298 HB2 GLU 44 1HB GLU 44 -1.661 1.710 5.965 299 HB3 GLU 44 2HB GLU 44 -1.950 3.312 6.630 300 HG2 GLU 44 1HG GLU 44 -3.808 1.781 7.051 301 HG3 GLU 44 2HG GLU 44 -4.293 3.164 6.072 302 H TRP 45 H TRP 45 -0.759 5.418 4.891 303 HA TRP 45 HA TRP 45 1.911 4.263 4.515 304 HB2 TRP 45 1HB TRP 45 1.332 5.261 2.373 305 HB3 TRP 45 2HB TRP 45 0.886 6.769 3.166 306 HD1 TRP 45 HD TRP 45 3.037 8.038 4.478 307 HE1 TRP 45 1HE TRP 45 5.466 8.271 3.657 308 HE3 TRP 45 3HE TRP 45 3.102 4.249 1.046 309 HZ2 TRP 45 2HZ TRP 45 7.181 7.016 1.801 310 HZ3 TRP 45 3HZ TRP 45 5.176 3.830 -0.209 311 HH2 TRP 45 HH TRP 45 7.173 5.186 0.161 312 H GLY 46 H GLY 46 3.077 4.678 6.266 313 HA2 GLY 46 1HA GLY 46 2.962 7.345 7.462 314 HA3 GLY 46 2HA GLY 46 2.573 5.981 8.499 315 H GLY 47 H GLY 47 4.903 8.054 8.093 316 HA2 GLY 47 1HA GLY 47 7.289 6.986 7.456 317 HA3 GLY 47 2HA GLY 47 7.083 7.990 8.883 318 H VAL 48 H VAL 48 5.651 6.388 10.558 319 HA VAL 48 HA VAL 48 7.474 4.106 10.966 320 HB VAL 48 HB VAL 48 6.201 5.988 12.925 321 HG11 VAL 48 1HG1 VAL 48 7.166 4.297 14.657 322 HG12 VAL 48 2HG1 VAL 48 5.562 4.033 13.973 323 HG13 VAL 48 3HG1 VAL 48 6.944 3.127 13.357 324 HG21 VAL 48 1HG2 VAL 48 8.310 6.755 12.663 325 HG22 VAL 48 2HG2 VAL 48 8.685 5.485 13.826 326 HG23 VAL 48 3HG2 VAL 48 8.924 5.199 12.103 327 H GLU 49 H GLU 49 6.621 2.125 11.099 328 HA GLU 49 HA GLU 49 4.041 1.518 10.341 329 HB2 GLU 49 1HB GLU 49 5.766 -0.168 12.161 330 HB3 GLU 49 2HB GLU 49 4.456 -0.734 11.135 331 HG2 GLU 49 1HG GLU 49 5.707 -0.186 9.154 332 HG3 GLU 49 2HG GLU 49 6.988 0.538 10.124 333 H GLY 50 H GLY 50 5.297 2.201 13.544 334 HA2 GLY 50 1HA GLY 50 3.144 1.262 15.079 335 HA3 GLY 50 2HA GLY 50 4.248 2.543 15.556 336 H SER 51 H SER 51 3.439 4.088 13.096 337 HA SER 51 HA SER 51 0.713 4.855 13.861 338 HB2 SER 51 1HB SER 51 3.165 6.550 13.962 339 HB3 SER 51 2HB SER 51 1.662 7.303 13.431 340 HG SER 51 HG SER 51 1.576 7.530 15.575 341 H MET 52 H MET 52 -0.401 4.462 12.058 342 HA MET 52 HA MET 52 0.506 5.731 9.578 343 HB2 MET 52 1HB MET 52 -0.241 2.837 9.929 344 HB3 MET 52 2HB MET 52 -0.377 3.638 8.370 345 HG2 MET 52 1HG MET 52 1.939 3.991 8.227 346 HG3 MET 52 2HG MET 52 2.180 3.626 9.934 347 HE1 MET 52 1HE MET 52 0.682 1.123 6.683 348 HE2 MET 52 2HE MET 52 1.512 2.672 6.529 349 HE3 MET 52 3HE MET 52 2.413 1.166 6.350 350 H GLN 53 H GLN 53 -1.224 6.005 7.992 351 HA GLN 53 HA GLN 53 -3.937 5.787 9.058 352 HB2 GLN 53 1HB GLN 53 -4.478 8.082 8.595 353 HB3 GLN 53 2HB GLN 53 -3.061 8.050 9.638 354 HG2 GLN 53 1HG GLN 53 -1.617 8.598 7.842 355 HG3 GLN 53 2HG GLN 53 -2.892 8.339 6.653 356 HE21 GLN 53 1HE2 GLN 53 -1.236 10.691 7.154 357 HE22 GLN 53 2HE2 GLN 53 -2.333 11.986 7.477 358 H ILE 54 H ILE 54 -5.577 6.406 7.337 359 HA ILE 54 HA ILE 54 -5.076 4.862 5.013 360 HB ILE 54 HB ILE 54 -7.333 6.820 5.447 361 HG12 ILE 54 1HG1 ILE 54 -6.906 4.959 7.222 362 HG13 ILE 54 2HG1 ILE 54 -8.533 5.186 6.589 363 HG21 ILE 54 1HG2 ILE 54 -7.170 6.128 3.153 364 HG22 ILE 54 2HG2 ILE 54 -7.026 4.436 3.630 365 HG23 ILE 54 3HG2 ILE 54 -8.539 5.300 3.895 366 HD11 ILE 54 1HD1 ILE 54 -8.307 3.299 5.150 367 HD12 ILE 54 2HD1 ILE 54 -6.596 3.139 5.545 368 HD13 ILE 54 3HD1 ILE 54 -7.818 2.817 6.774 369 H CYS 55 H CYS 55 -3.608 5.556 3.576 370 HA CYS 55 HA CYS 55 -3.272 8.338 2.939 371 HB2 CYS 55 1HB CYS 55 -1.426 6.600 2.952 372 HB3 CYS 55 2HB CYS 55 -2.110 5.977 1.456 373 HG CYS 55 HG CYS 55 -1.836 8.643 0.256 374 H TYR 56 H TYR 56 -4.551 5.487 1.260 375 HA TYR 56 HA TYR 56 -6.102 7.273 -0.463 376 HB2 TYR 56 1HB TYR 56 -4.299 6.826 -1.912 377 HB3 TYR 56 2HB TYR 56 -4.185 5.148 -1.394 378 HD1 TYR 56 1HD TYR 56 -6.294 7.529 -3.302 379 HD2 TYR 56 2HD TYR 56 -5.362 3.451 -2.526 380 HE1 TYR 56 1HE TYR 56 -7.699 6.853 -5.204 381 HE2 TYR 56 2HE TYR 56 -6.763 2.764 -4.427 382 HH TYR 56 HH TYR 56 -7.919 4.952 -6.747 383 H CYS 57 H CYS 57 -8.052 6.431 -1.175 384 HA CYS 57 HA CYS 57 -8.746 3.722 -0.287 385 HB2 CYS 57 1HB CYS 57 -9.561 5.237 1.442 386 HB3 CYS 57 2HB CYS 57 -10.385 6.210 0.231 387 HG CYS 57 HG CYS 57 -12.373 4.834 1.521 388 H GLY 58 H GLY 58 -9.507 2.596 -1.944 389 HA2 GLY 58 1HA GLY 58 -11.640 3.100 -3.536 390 HA3 GLY 58 2HA GLY 58 -10.333 3.927 -4.372 391 HA PRO 59 HA PRO 59 -10.556 -0.702 -5.420 392 HB2 PRO 59 1HB PRO 59 -11.550 -0.470 -7.936 393 HB3 PRO 59 2HB PRO 59 -12.578 -0.658 -6.511 394 HG2 PRO 59 1HG PRO 59 -11.862 1.829 -8.014 395 HG3 PRO 59 2HG PRO 59 -13.436 1.325 -7.370 396 HD2 PRO 59 1HD PRO 59 -11.853 3.125 -6.110 397 HD3 PRO 59 2HD PRO 59 -12.918 2.010 -5.230 398 H GLY 60 H GLY 60 -9.293 2.214 -6.692 399 HA2 GLY 60 1HA GLY 60 -7.893 1.649 -8.927 400 HA3 GLY 60 2HA GLY 60 -7.203 2.593 -7.615 401 H LEU 61 H LEU 61 -5.722 0.949 -9.383 402 HA LEU 61 HA LEU 61 -4.834 -1.194 -7.567 403 HB2 LEU 61 1HB LEU 61 -4.611 -0.994 -10.565 404 HB3 LEU 61 2HB LEU 61 -3.863 -2.258 -9.591 405 HG LEU 61 HG LEU 61 -6.838 -1.785 -9.738 406 HD11 LEU 61 1HD1 LEU 61 -5.014 -3.157 -11.565 407 HD12 LEU 61 2HD1 LEU 61 -6.675 -2.615 -11.807 408 HD13 LEU 61 3HD1 LEU 61 -6.358 -4.153 -11.005 409 HD21 LEU 61 1HD2 LEU 61 -5.746 -2.968 -7.737 410 HD22 LEU 61 2HD2 LEU 61 -5.414 -4.278 -8.870 411 HD23 LEU 61 3HD2 LEU 61 -7.077 -3.782 -8.558 412 H SER 62 H SER 62 -4.069 1.824 -8.659 413 HA SER 62 HA SER 62 -1.306 1.527 -7.798 414 HB2 SER 62 1HB SER 62 -0.427 2.731 -9.773 415 HB3 SER 62 2HB SER 62 -1.145 1.182 -10.213 416 HG SER 62 HG SER 62 -2.645 3.570 -10.298 417 H TYR 63 H TYR 63 -0.548 3.293 -6.752 418 HA TYR 63 HA TYR 63 -1.985 5.827 -7.001 419 HB2 TYR 63 1HB TYR 63 -3.069 4.695 -5.133 420 HB3 TYR 63 2HB TYR 63 -1.509 4.405 -4.374 421 HD1 TYR 63 1HD TYR 63 -3.943 7.027 -5.301 422 HD2 TYR 63 2HD TYR 63 -0.449 6.082 -3.063 423 HE1 TYR 63 1HE TYR 63 -4.129 9.173 -4.115 424 HE2 TYR 63 2HE TYR 63 -0.627 8.225 -1.871 425 HH TYR 63 HH TYR 63 -3.335 10.074 -1.802 426 H GLU 64 H GLU 64 -0.653 7.526 -7.025 427 HA GLU 64 HA GLU 64 2.180 7.053 -6.476 428 HB2 GLU 64 1HB GLU 64 1.355 8.074 -8.655 429 HB3 GLU 64 2HB GLU 64 0.958 9.511 -7.723 430 HG2 GLU 64 1HG GLU 64 3.347 9.607 -7.005 431 HG3 GLU 64 2HG GLU 64 3.678 8.303 -8.143 432 H ILE 65 H ILE 65 3.287 8.034 -4.876 433 HA ILE 65 HA ILE 65 1.783 9.884 -3.144 434 HB ILE 65 HB ILE 65 3.865 7.821 -2.462 435 HG12 ILE 65 1HG1 ILE 65 1.221 8.310 -1.111 436 HG13 ILE 65 2HG1 ILE 65 1.322 7.359 -2.588 437 HG21 ILE 65 1HG2 ILE 65 3.054 10.268 -0.954 438 HG22 ILE 65 2HG2 ILE 65 3.490 8.802 -0.078 439 HG23 ILE 65 3HG2 ILE 65 4.655 9.558 -1.165 440 HD11 ILE 65 1HD1 ILE 65 2.808 6.755 -0.043 441 HD12 ILE 65 2HD1 ILE 65 1.312 5.978 -0.562 442 HD13 ILE 65 3HD1 ILE 65 2.786 5.774 -1.509 443 H LYS 66 H LYS 66 2.725 11.767 -2.478 444 HA LYS 66 HA LYS 66 5.503 12.306 -3.193 445 HB2 LYS 66 1HB LYS 66 3.210 14.055 -4.105 446 HB3 LYS 66 2HB LYS 66 4.919 14.422 -4.301 447 HG2 LYS 66 1HG LYS 66 5.214 12.652 -5.845 448 HG3 LYS 66 2HG LYS 66 3.624 11.979 -5.479 449 HD2 LYS 66 1HD LYS 66 3.451 13.120 -7.564 450 HD3 LYS 66 2HD LYS 66 2.625 14.106 -6.356 451 HE2 LYS 66 1HE LYS 66 4.578 15.547 -6.175 452 HE3 LYS 66 2HE LYS 66 5.447 14.541 -7.332 453 HZ1 LYS 66 1HZ LYS 66 4.015 16.732 -7.964 454 HZ2 LYS 66 2HZ LYS 66 2.901 15.501 -8.285 455 HZ3 LYS 66 3HZ LYS 66 4.410 15.495 -9.049 456 H GLY 67 H GLY 67 6.111 14.595 -2.399 457 HA2 GLY 67 1HA GLY 67 6.116 16.216 -0.739 458 HA3 GLY 67 2HA GLY 67 4.558 15.614 -0.193 459 H LEU 68 H LEU 68 7.431 13.629 -0.578 460 HA LEU 68 HA LEU 68 7.335 13.058 2.295 461 HB2 LEU 68 1HB LEU 68 8.916 11.558 0.228 462 HB3 LEU 68 2HB LEU 68 8.428 11.017 1.833 463 HG LEU 68 HG LEU 68 6.447 11.546 -0.370 464 HD11 LEU 68 1HD1 LEU 68 6.502 8.905 -0.339 465 HD12 LEU 68 2HD1 LEU 68 8.181 9.187 0.124 466 HD13 LEU 68 3HD1 LEU 68 7.561 9.843 -1.391 467 HD21 LEU 68 1HD2 LEU 68 6.123 9.651 1.917 468 HD22 LEU 68 2HD2 LEU 68 4.894 10.504 0.983 469 HD23 LEU 68 3HD2 LEU 68 5.871 11.378 2.164 470 H SER 69 H SER 69 9.527 12.532 3.289 471 HA SER 69 HA SER 69 11.402 14.672 2.541 472 HB2 SER 69 1HB SER 69 10.737 13.362 5.165 473 HB3 SER 69 2HB SER 69 12.270 14.207 4.947 474 HG SER 69 HG SER 69 10.498 15.507 5.785 475 HA PRO 70 HA PRO 70 14.417 11.698 1.341 476 HB2 PRO 70 1HB PRO 70 16.658 13.190 1.687 477 HB3 PRO 70 2HB PRO 70 15.529 13.448 0.352 478 HG2 PRO 70 1HG PRO 70 15.770 14.931 2.941 479 HG3 PRO 70 2HG PRO 70 15.518 15.568 1.306 480 HD2 PRO 70 1HD PRO 70 13.498 15.291 3.087 481 HD3 PRO 70 2HD PRO 70 13.260 15.109 1.337 482 H ALA 71 H ALA 71 16.072 10.359 2.171 483 HA ALA 71 HA ALA 71 16.995 9.050 3.796 484 HB1 ALA 71 1HB ALA 71 18.060 11.582 3.991 485 HB2 ALA 71 2HB ALA 71 17.611 11.201 5.653 486 HB3 ALA 71 3HB ALA 71 18.691 10.127 4.762 487 H THR 72 H THR 72 14.335 8.952 4.038 488 HA THR 72 HA THR 72 13.955 8.847 6.943 489 HB THR 72 HB THR 72 11.958 10.019 4.998 490 HG1 THR 72 1HG THR 72 13.314 11.141 7.246 491 HG21 THR 72 1HG2 THR 72 10.585 8.880 6.477 492 HG22 THR 72 2HG2 THR 72 10.738 10.451 7.265 493 HG23 THR 72 3HG2 THR 72 11.699 9.084 7.829 494 H THR 73 H THR 73 12.702 7.156 7.672 495 HA THR 73 HA THR 73 12.289 5.004 5.771 496 HB THR 73 HB THR 73 11.691 4.917 8.726 497 HG1 THR 73 1HG THR 73 13.953 5.583 7.995 498 HG21 THR 73 1HG2 THR 73 10.876 2.947 7.879 499 HG22 THR 73 2HG2 THR 73 12.554 2.481 8.157 500 HG23 THR 73 3HG2 THR 73 12.018 2.926 6.537 501 H TYR 74 H TYR 74 10.340 4.045 5.279 502 HA TYR 74 HA TYR 74 7.899 5.182 6.418 503 HB2 TYR 74 1HB TYR 74 8.595 5.162 3.482 504 HB3 TYR 74 2HB TYR 74 6.943 5.322 4.067 505 HD1 TYR 74 1HD TYR 74 6.279 7.329 5.360 506 HD2 TYR 74 2HD TYR 74 10.125 6.995 3.573 507 HE1 TYR 74 1HE TYR 74 6.595 9.757 5.599 508 HE2 TYR 74 2HE TYR 74 10.453 9.420 3.809 509 HH TYR 74 HH TYR 74 8.404 11.376 5.712 510 H TYR 75 H TYR 75 5.935 3.947 5.585 511 HA TYR 75 HA TYR 75 6.504 1.194 4.825 512 HB2 TYR 75 1HB TYR 75 4.961 1.851 7.342 513 HB3 TYR 75 2HB TYR 75 5.268 0.242 6.695 514 HD1 TYR 75 2HD TYR 75 7.489 -0.763 6.864 515 HD2 TYR 75 1HD TYR 75 6.682 3.074 8.515 516 HE1 TYR 75 2HE TYR 75 9.566 -0.897 8.174 517 HE2 TYR 75 1HE TYR 75 8.758 2.951 9.830 518 HH TYR 75 HH TYR 75 10.822 1.827 9.912 519 H CYS 76 H CYS 76 4.709 0.079 3.983 520 HA CYS 76 HA CYS 76 2.193 1.536 3.745 521 HB2 CYS 76 1HB CYS 76 2.140 1.601 1.411 522 HB3 CYS 76 2HB CYS 76 3.801 2.048 1.781 523 HG CYS 76 HG CYS 76 4.993 -0.017 0.708 524 H ARG 77 H ARG 77 0.410 0.237 3.482 525 HA ARG 77 HA ARG 77 0.822 -2.629 3.073 526 HB2 ARG 77 1HB ARG 77 -0.708 -3.121 4.994 527 HB3 ARG 77 2HB ARG 77 0.855 -2.463 5.461 528 HG2 ARG 77 1HG ARG 77 -0.474 -0.182 5.368 529 HG3 ARG 77 2HG ARG 77 -1.847 -1.255 5.647 530 HD2 ARG 77 1HD ARG 77 -0.711 -2.173 7.621 531 HD3 ARG 77 2HD ARG 77 0.640 -1.074 7.344 532 HE ARG 77 HE ARG 77 -1.415 0.628 7.527 533 HH11 ARG 77 1HH1 ARG 77 -0.468 -2.068 9.517 534 HH12 ARG 77 2HH1 ARG 77 -1.117 -1.389 10.973 535 HH21 ARG 77 1HH2 ARG 77 -2.275 1.531 9.437 536 HH22 ARG 77 2HH2 ARG 77 -2.145 0.657 10.926 537 H VAL 78 H VAL 78 -0.819 -3.631 2.007 538 HA VAL 78 HA VAL 78 -3.241 -2.044 1.460 539 HB VAL 78 HB VAL 78 -1.718 -2.051 -0.498 540 HG11 VAL 78 1HG1 VAL 78 -0.827 -3.907 -1.405 541 HG12 VAL 78 2HG1 VAL 78 -1.150 -4.613 0.180 542 HG13 VAL 78 3HG1 VAL 78 -2.288 -4.861 -1.146 543 HG21 VAL 78 1HG2 VAL 78 -3.595 -1.845 -1.665 544 HG22 VAL 78 2HG2 VAL 78 -3.743 -3.600 -1.752 545 HG23 VAL 78 3HG2 VAL 78 -4.476 -2.719 -0.412 546 H GLN 79 H GLN 79 -5.129 -3.075 1.723 547 HA GLN 79 HA GLN 79 -5.081 -6.006 1.997 548 HB2 GLN 79 1HB GLN 79 -6.567 -5.917 3.849 549 HB3 GLN 79 2HB GLN 79 -5.282 -4.766 4.188 550 HG2 GLN 79 1HG GLN 79 -6.682 -2.922 3.650 551 HG3 GLN 79 2HG GLN 79 -7.934 -3.985 3.011 552 HE21 GLN 79 1HE2 GLN 79 -8.547 -5.745 4.731 553 HE22 GLN 79 2HE2 GLN 79 -8.923 -5.110 6.293 554 H ALA 80 H ALA 80 -7.166 -7.055 1.609 555 HA ALA 80 HA ALA 80 -8.655 -5.643 -0.494 556 HB1 ALA 80 1HB ALA 80 -8.076 -7.546 -1.554 557 HB2 ALA 80 2HB ALA 80 -7.885 -8.453 -0.054 558 HB3 ALA 80 3HB ALA 80 -9.494 -8.192 -0.726 559 H LEU 81 H LEU 81 -10.672 -4.996 -0.133 560 HA LEU 81 HA LEU 81 -12.058 -6.009 2.251 561 HB2 LEU 81 1HB LEU 81 -12.197 -3.435 0.730 562 HB3 LEU 81 2HB LEU 81 -13.529 -3.935 1.769 563 HG LEU 81 HG LEU 81 -11.598 -4.151 3.557 564 HD11 LEU 81 1HD1 LEU 81 -9.948 -2.331 3.241 565 HD12 LEU 81 2HD1 LEU 81 -10.513 -2.152 1.581 566 HD13 LEU 81 3HD1 LEU 81 -9.755 -3.659 2.096 567 HD21 LEU 81 1HD2 LEU 81 -13.654 -2.529 3.283 568 HD22 LEU 81 2HD2 LEU 81 -12.389 -1.349 2.939 569 HD23 LEU 81 3HD2 LEU 81 -12.395 -2.214 4.477 570 H SER 82 H SER 82 -13.907 -7.121 2.080 571 HA SER 82 HA SER 82 -15.150 -7.308 -0.587 572 HB2 SER 82 1HB SER 82 -15.805 -9.607 -0.005 573 HB3 SER 82 2HB SER 82 -14.055 -9.407 0.074 574 HG SER 82 HG SER 82 -14.757 -10.503 1.903 575 H VAL 83 H VAL 83 -17.473 -8.462 -0.155 576 HA VAL 83 HA VAL 83 -18.929 -6.481 1.397 577 HB VAL 83 HB VAL 83 -20.955 -7.614 0.406 578 HG11 VAL 83 1HG1 VAL 83 -20.384 -6.801 -1.963 579 HG12 VAL 83 2HG1 VAL 83 -20.302 -5.634 -0.643 580 HG13 VAL 83 3HG1 VAL 83 -18.822 -6.351 -1.282 581 HG21 VAL 83 1HG2 VAL 83 -19.207 -9.655 -0.135 582 HG22 VAL 83 2HG2 VAL 83 -20.810 -9.465 -0.845 583 HG23 VAL 83 3HG2 VAL 83 -19.388 -8.878 -1.708 584 H VAL 84 H VAL 84 -17.569 -9.421 2.023 585 HA VAL 84 HA VAL 84 -19.655 -10.185 3.955 586 HB VAL 84 HB VAL 84 -18.712 -11.837 2.166 587 HG11 VAL 84 1HG1 VAL 84 -16.725 -12.953 2.641 588 HG12 VAL 84 2HG1 VAL 84 -16.329 -11.262 2.955 589 HG13 VAL 84 3HG1 VAL 84 -16.672 -12.353 4.299 590 HG21 VAL 84 1HG2 VAL 84 -20.285 -12.510 3.850 591 HG22 VAL 84 2HG2 VAL 84 -18.999 -13.714 3.774 592 HG23 VAL 84 3HG2 VAL 84 -19.024 -12.533 5.083 593 H GLY 85 H GLY 85 -16.858 -8.477 3.811 594 HA2 GLY 85 1HA GLY 85 -16.338 -7.718 6.220 595 HA3 GLY 85 2HA GLY 85 -15.887 -9.402 6.431 596 H ALA 86 H ALA 86 -14.331 -6.840 6.568 597 HA ALA 86 HA ALA 86 -12.585 -6.649 4.375 598 HB1 ALA 86 1HB ALA 86 -12.332 -4.805 5.653 599 HB2 ALA 86 2HB ALA 86 -12.612 -5.676 7.162 600 HB3 ALA 86 3HB ALA 86 -11.035 -5.756 6.377 601 H GLY 87 H GLY 87 -10.442 -7.392 4.101 602 HA2 GLY 87 1HA GLY 87 -9.956 -9.978 5.414 603 HA3 GLY 87 2HA GLY 87 -9.286 -9.474 3.870 604 HA PRO 88 HA PRO 88 -6.172 -8.889 7.348 605 HB2 PRO 88 1HB PRO 88 -4.305 -10.602 6.375 606 HB3 PRO 88 2HB PRO 88 -5.594 -11.109 7.471 607 HG2 PRO 88 1HG PRO 88 -5.429 -11.367 4.493 608 HG3 PRO 88 2HG PRO 88 -5.987 -12.551 5.690 609 HD2 PRO 88 1HD PRO 88 -7.695 -11.052 4.219 610 HD3 PRO 88 2HD PRO 88 -8.066 -11.575 5.874 611 H PHE 89 H PHE 89 -4.038 -7.953 7.139 612 HA PHE 89 HA PHE 89 -3.792 -6.398 4.696 613 HB2 PHE 89 1HB PHE 89 -2.679 -6.215 7.458 614 HB3 PHE 89 2HB PHE 89 -1.781 -5.452 6.150 615 HD1 PHE 89 2HD PHE 89 -3.029 -3.787 4.673 616 HD2 PHE 89 1HD PHE 89 -4.492 -5.141 8.434 617 HE1 PHE 89 2HE PHE 89 -4.511 -1.828 4.798 618 HE2 PHE 89 1HE PHE 89 -5.978 -3.184 8.564 619 HZ PHE 89 HZ PHE 89 -5.988 -1.523 6.745 620 H SER 90 H SER 90 -1.665 -6.103 3.679 621 HA SER 90 HA SER 90 -0.425 -8.668 3.211 622 HB2 SER 90 1HB SER 90 0.944 -7.325 1.538 623 HB3 SER 90 2HB SER 90 -0.797 -7.356 1.259 624 HG SER 90 HG SER 90 0.791 -5.266 2.297 625 H GLU 91 H GLU 91 2.145 -8.291 2.737 626 HA GLU 91 HA GLU 91 3.269 -8.021 5.359 627 HB2 GLU 91 1HB GLU 91 4.299 -8.786 2.664 628 HB3 GLU 91 2HB GLU 91 5.455 -8.320 3.903 629 HG2 GLU 91 1HG GLU 91 3.401 -10.499 4.198 630 HG3 GLU 91 2HG GLU 91 5.094 -10.750 3.776 631 H VAL 92 H VAL 92 3.825 -6.157 6.252 632 HA VAL 92 HA VAL 92 3.805 -3.668 5.110 633 HB VAL 92 HB VAL 92 5.527 -4.628 7.397 634 HG11 VAL 92 1HG1 VAL 92 5.213 -2.029 7.920 635 HG12 VAL 92 2HG1 VAL 92 6.583 -2.658 7.000 636 HG13 VAL 92 3HG1 VAL 92 5.200 -1.959 6.158 637 HG21 VAL 92 1HG2 VAL 92 3.782 -3.665 8.802 638 HG22 VAL 92 2HG2 VAL 92 2.872 -3.193 7.367 639 HG23 VAL 92 3HG2 VAL 92 3.116 -4.899 7.734 640 H VAL 93 H VAL 93 4.939 -2.801 3.516 641 HA VAL 93 HA VAL 93 7.616 -3.843 2.927 642 HB VAL 93 HB VAL 93 5.891 -2.040 1.226 643 HG11 VAL 93 1HG1 VAL 93 7.958 -1.706 0.334 644 HG12 VAL 93 2HG1 VAL 93 8.579 -3.255 0.910 645 HG13 VAL 93 3HG1 VAL 93 7.537 -3.195 -0.511 646 HG21 VAL 93 1HG2 VAL 93 4.675 -3.843 0.762 647 HG22 VAL 93 2HG2 VAL 93 6.113 -4.556 0.030 648 HG23 VAL 93 3HG2 VAL 93 5.736 -4.873 1.723 649 H ALA 94 H ALA 94 9.073 -2.776 4.148 650 HA ALA 94 HA ALA 94 8.843 0.015 4.763 651 HB1 ALA 94 1HB ALA 94 9.902 -1.561 6.310 652 HB2 ALA 94 2HB ALA 94 11.187 -1.846 5.134 653 HB3 ALA 94 3HB ALA 94 10.996 -0.251 5.864 654 H CYS 95 H CYS 95 9.948 1.733 3.914 655 HA CYS 95 HA CYS 95 11.901 1.288 1.802 656 HB2 CYS 95 1HB CYS 95 10.739 2.703 0.192 657 HB3 CYS 95 2HB CYS 95 9.730 1.331 0.632 658 HG CYS 95 HG CYS 95 7.941 2.711 2.138 659 H VAL 96 H VAL 96 13.527 2.671 2.024 660 HA VAL 96 HA VAL 96 13.082 5.101 3.624 661 HB VAL 96 HB VAL 96 15.675 3.647 3.084 662 HG11 VAL 96 1HG1 VAL 96 15.222 6.303 3.860 663 HG12 VAL 96 2HG1 VAL 96 15.718 5.444 5.319 664 HG13 VAL 96 3HG1 VAL 96 16.747 5.417 3.887 665 HG21 VAL 96 1HG2 VAL 96 15.322 3.466 5.740 666 HG22 VAL 96 2HG2 VAL 96 13.640 3.432 5.213 667 HG23 VAL 96 3HG2 VAL 96 14.777 2.231 4.604 668 H THR 97 H THR 97 12.948 6.914 2.494 669 HA THR 97 HA THR 97 13.665 7.140 -0.229 670 HB THR 97 HB THR 97 13.349 9.641 0.189 671 HG1 THR 97 1HG THR 97 13.251 10.224 2.213 672 HG21 THR 97 1HG2 THR 97 11.480 8.651 -0.727 673 HG22 THR 97 2HG2 THR 97 10.834 9.210 0.816 674 HG23 THR 97 3HG2 THR 97 11.291 7.520 0.613 675 HA PRO 98 HA PRO 98 17.945 8.138 -0.063 676 HB2 PRO 98 1HB PRO 98 18.163 9.640 -2.314 677 HB3 PRO 98 2HB PRO 98 17.949 7.886 -2.347 678 HG2 PRO 98 1HG PRO 98 15.914 10.050 -2.720 679 HG3 PRO 98 2HG PRO 98 16.123 8.541 -3.629 680 HD2 PRO 98 1HD PRO 98 14.250 8.830 -1.695 681 HD3 PRO 98 2HD PRO 98 15.050 7.280 -2.025 682 HA PRO 99 HA PRO 99 18.331 12.073 1.895 683 HB2 PRO 99 1HB PRO 99 21.021 12.389 1.701 684 HB3 PRO 99 2HB PRO 99 20.265 11.253 2.826 685 HG2 PRO 99 1HG PRO 99 21.489 10.732 0.144 686 HG3 PRO 99 2HG PRO 99 21.642 9.798 1.645 687 HD2 PRO 99 1HD PRO 99 19.973 9.071 -0.360 688 HD3 PRO 99 2HD PRO 99 19.610 8.752 1.348 689 H SER 100 H SER 100 18.257 14.175 1.308 690 HA SER 100 HA SER 100 18.983 14.820 -1.469 691 HB2 SER 100 1HB SER 100 16.577 15.099 -0.716 692 HB3 SER 100 2HB SER 100 17.140 16.404 0.327 693 HG SER 100 HG SER 100 16.373 17.081 -1.776 694 H SER 101 H SER 101 21.140 15.332 -1.181 695 HA SER 101 HA SER 101 22.159 16.969 0.868 696 HB2 SER 101 1HB SER 101 23.216 16.314 -1.886 697 HB3 SER 101 2HB SER 101 24.124 17.256 -0.703 698 HG SER 101 HG SER 101 23.545 15.283 0.696 699 H GLY 102 H GLY 102 21.007 17.708 -2.394 700 HA2 GLY 102 1HA GLY 102 19.808 20.008 -2.239 701 HA3 GLY 102 2HA GLY 102 21.434 20.570 -1.882 702 HA PRO 103 HA PRO 103 20.512 19.972 -6.575 703 HB2 PRO 103 1HB PRO 103 19.421 22.374 -7.219 704 HB3 PRO 103 2HB PRO 103 18.450 20.968 -6.770 705 HG2 PRO 103 1HG PRO 103 19.277 23.311 -5.100 706 HG3 PRO 103 2HG PRO 103 17.702 22.498 -5.188 707 HD2 PRO 103 1HD PRO 103 19.470 22.035 -3.191 708 HD3 PRO 103 2HD PRO 103 18.367 20.784 -3.798 709 H SER 104 H SER 104 21.698 21.032 -8.258 710 HA SER 104 HA SER 104 23.323 23.333 -7.613 711 HB2 SER 104 1HB SER 104 24.656 20.673 -8.177 712 HB3 SER 104 2HB SER 104 25.473 22.219 -7.954 713 HG SER 104 HG SER 104 24.550 22.245 -5.816 714 H SER 105 H SER 105 24.010 24.413 -9.408 715 HA SER 105 HA SER 105 23.363 23.179 -12.006 716 HB2 SER 105 1HB SER 105 22.819 25.425 -12.832 717 HB3 SER 105 2HB SER 105 21.827 25.018 -11.432 718 HG SER 105 HG SER 105 23.744 26.152 -10.297 719 H GLY 106 H GLY 106 25.866 22.808 -10.865 720 HA2 GLY 106 1HA GLY 106 27.545 24.492 -12.621 721 HA3 GLY 106 2HA GLY 106 28.054 24.051 -10.998 Start of MODEL 7 1 H1 GLY 1 H GLY 1 -6.081 -26.326 11.913 2 HA2 GLY 1 1HA GLY 1 -7.146 -27.060 9.496 3 HA3 GLY 1 2HA GLY 1 -8.424 -27.395 10.655 4 H SER 2 H SER 2 -6.354 -24.865 9.337 5 HA SER 2 HA SER 2 -8.074 -22.809 10.504 6 HB2 SER 2 1HB SER 2 -5.389 -22.745 9.141 7 HB3 SER 2 2HB SER 2 -6.322 -21.269 9.397 8 HG SER 2 HG SER 2 -4.763 -22.527 11.123 9 H SER 3 H SER 3 -9.315 -24.383 8.580 10 HA SER 3 HA SER 3 -9.369 -22.705 6.170 11 HB2 SER 3 1HB SER 3 -9.110 -25.300 6.133 12 HB3 SER 3 2HB SER 3 -10.847 -25.307 6.440 13 HG SER 3 HG SER 3 -10.143 -25.332 4.166 14 H GLY 4 H GLY 4 -11.409 -22.059 5.270 15 HA2 GLY 4 1HA GLY 4 -13.680 -21.521 5.356 16 HA3 GLY 4 2HA GLY 4 -13.772 -22.260 6.947 17 H SER 5 H SER 5 -12.049 -19.521 5.440 18 HA SER 5 HA SER 5 -12.657 -17.941 7.844 19 HB2 SER 5 1HB SER 5 -10.265 -18.158 7.286 20 HB3 SER 5 2HB SER 5 -10.574 -17.450 5.699 21 HG SER 5 HG SER 5 -11.009 -15.517 6.636 22 H SER 6 H SER 6 -13.405 -15.788 7.633 23 HA SER 6 HA SER 6 -15.162 -15.422 5.356 24 HB2 SER 6 1HB SER 6 -15.964 -13.428 6.665 25 HB3 SER 6 2HB SER 6 -16.120 -14.965 7.514 26 HG SER 6 HG SER 6 -13.902 -13.233 7.840 27 H GLY 7 H GLY 7 -14.262 -14.611 3.568 28 HA2 GLY 7 1HA GLY 7 -13.675 -12.353 2.655 29 HA3 GLY 7 2HA GLY 7 -12.411 -12.327 3.877 30 HA PRO 8 HA PRO 8 -10.922 -14.174 -0.226 31 HB2 PRO 8 1HB PRO 8 -9.271 -12.144 -0.949 32 HB3 PRO 8 2HB PRO 8 -10.970 -12.218 -1.431 33 HG2 PRO 8 1HG PRO 8 -9.697 -10.666 0.789 34 HG3 PRO 8 2HG PRO 8 -10.941 -10.152 -0.365 35 HD2 PRO 8 1HD PRO 8 -11.527 -10.903 2.168 36 HD3 PRO 8 2HD PRO 8 -12.636 -11.180 0.810 37 H ASP 9 H ASP 9 -8.483 -14.329 -0.842 38 HA ASP 9 HA ASP 9 -7.104 -15.260 1.500 39 HB2 ASP 9 1HB ASP 9 -7.102 -16.194 -0.970 40 HB3 ASP 9 2HB ASP 9 -5.766 -15.065 -1.166 41 H GLN 10 H GLN 10 -4.848 -14.667 1.974 42 HA GLN 10 HA GLN 10 -4.518 -12.028 2.626 43 HB2 GLN 10 1HB GLN 10 -3.128 -14.041 3.357 44 HB3 GLN 10 2HB GLN 10 -2.191 -13.796 1.889 45 HG2 GLN 10 1HG GLN 10 -2.013 -11.341 2.817 46 HG3 GLN 10 2HG GLN 10 -2.329 -12.147 4.353 47 HE21 GLN 10 1HE2 GLN 10 0.071 -10.918 2.713 48 HE22 GLN 10 2HE2 GLN 10 1.350 -12.020 3.080 49 H CYS 11 H CYS 11 -3.481 -10.249 1.743 50 HA CYS 11 HA CYS 11 -3.301 -10.278 -1.173 51 HB2 CYS 11 1HB CYS 11 -3.687 -8.150 0.892 52 HB3 CYS 11 2HB CYS 11 -3.011 -7.704 -0.671 53 HG CYS 11 HG CYS 11 -5.742 -9.579 -0.971 54 H LYS 12 H LYS 12 -1.456 -9.939 -2.287 55 HA LYS 12 HA LYS 12 1.034 -10.272 -0.941 56 HB2 LYS 12 1HB LYS 12 0.296 -9.711 -3.809 57 HB3 LYS 12 2HB LYS 12 1.969 -9.837 -3.281 58 HG2 LYS 12 1HG LYS 12 0.051 -12.036 -2.655 59 HG3 LYS 12 2HG LYS 12 0.755 -11.907 -4.270 60 HD2 LYS 12 1HD LYS 12 2.949 -12.170 -3.444 61 HD3 LYS 12 2HD LYS 12 2.440 -11.885 -1.779 62 HE2 LYS 12 1HE LYS 12 2.755 -14.198 -1.894 63 HE3 LYS 12 2HE LYS 12 1.011 -13.992 -2.053 64 HZ1 LYS 12 1HZ LYS 12 2.435 -13.970 -4.560 65 HZ2 LYS 12 2HZ LYS 12 1.032 -14.804 -4.121 66 HZ3 LYS 12 3HZ LYS 12 2.549 -15.437 -3.724 67 HA PRO 13 HA PRO 13 2.257 -6.120 -0.198 68 HB2 PRO 13 1HB PRO 13 4.944 -6.306 -0.531 69 HB3 PRO 13 2HB PRO 13 4.101 -6.983 0.867 70 HG2 PRO 13 1HG PRO 13 5.055 -8.355 -1.617 71 HG3 PRO 13 2HG PRO 13 5.161 -8.892 0.069 72 HD2 PRO 13 1HD PRO 13 3.276 -9.819 -1.639 73 HD3 PRO 13 2HD PRO 13 2.980 -9.636 0.102 74 HA PRO 14 HA PRO 14 2.377 -4.222 -4.211 75 HB2 PRO 14 1HB PRO 14 2.593 -1.655 -3.354 76 HB3 PRO 14 2HB PRO 14 1.080 -2.565 -3.288 77 HG2 PRO 14 1HG PRO 14 3.068 -2.038 -1.114 78 HG3 PRO 14 2HG PRO 14 1.297 -1.979 -1.049 79 HD2 PRO 14 1HD PRO 14 2.719 -4.092 -0.130 80 HD3 PRO 14 2HD PRO 14 1.103 -4.266 -0.842 81 H GLN 15 H GLN 15 3.819 -2.937 -5.516 82 HA GLN 15 HA GLN 15 6.601 -3.186 -4.636 83 HB2 GLN 15 1HB GLN 15 5.898 -4.246 -6.780 84 HB3 GLN 15 2HB GLN 15 5.534 -2.644 -7.411 85 HG2 GLN 15 1HG GLN 15 7.890 -2.012 -7.098 86 HG3 GLN 15 2HG GLN 15 8.234 -3.648 -6.539 87 HE21 GLN 15 1HE2 GLN 15 8.778 -1.803 -9.025 88 HE22 GLN 15 2HE2 GLN 15 8.622 -2.914 -10.339 89 H VAL 16 H VAL 16 7.531 -1.438 -3.820 90 HA VAL 16 HA VAL 16 6.476 1.204 -4.397 91 HB VAL 16 HB VAL 16 8.321 1.915 -2.772 92 HG11 VAL 16 1HG1 VAL 16 6.325 -0.006 -1.605 93 HG12 VAL 16 2HG1 VAL 16 6.955 1.485 -0.902 94 HG13 VAL 16 3HG1 VAL 16 5.854 1.554 -2.279 95 HG21 VAL 16 1HG2 VAL 16 9.441 -0.423 -3.158 96 HG22 VAL 16 2HG2 VAL 16 9.521 0.359 -1.578 97 HG23 VAL 16 3HG2 VAL 16 8.349 -0.927 -1.868 98 H THR 17 H THR 17 7.606 2.875 -5.365 99 HA THR 17 HA THR 17 10.211 2.245 -6.556 100 HB THR 17 HB THR 17 7.861 3.363 -8.096 101 HG1 THR 17 1HG THR 17 8.052 1.430 -9.266 102 HG21 THR 17 1HG2 THR 17 10.766 3.399 -8.584 103 HG22 THR 17 2HG2 THR 17 9.494 4.440 -9.224 104 HG23 THR 17 3HG2 THR 17 9.780 2.855 -9.941 105 H CYS 18 H CYS 18 11.466 3.712 -5.575 106 HA CYS 18 HA CYS 18 10.597 6.260 -4.713 107 HB2 CYS 18 1HB CYS 18 13.002 6.712 -4.333 108 HB3 CYS 18 2HB CYS 18 12.493 5.168 -3.661 109 HG CYS 18 HG CYS 18 13.450 3.919 -6.203 110 H ARG 19 H ARG 19 9.869 7.714 -6.139 111 HA ARG 19 HA ARG 19 10.998 7.964 -8.776 112 HB2 ARG 19 1HB ARG 19 8.808 9.373 -7.278 113 HB3 ARG 19 2HB ARG 19 9.394 10.001 -8.812 114 HG2 ARG 19 1HG ARG 19 8.440 7.173 -8.500 115 HG3 ARG 19 2HG ARG 19 7.348 8.507 -8.880 116 HD2 ARG 19 1HD ARG 19 9.785 7.757 -10.492 117 HD3 ARG 19 2HD ARG 19 8.133 7.277 -10.882 118 HE ARG 19 HE ARG 19 7.673 9.455 -11.549 119 HH11 ARG 19 1HH1 ARG 19 10.873 9.209 -10.199 120 HH12 ARG 19 2HH1 ARG 19 11.381 10.756 -10.787 121 HH21 ARG 19 1HH2 ARG 19 8.330 11.494 -12.329 122 HH22 ARG 19 2HH2 ARG 19 9.934 12.056 -11.998 123 H SER 20 H SER 20 11.321 9.559 -5.699 124 HA SER 20 HA SER 20 13.691 10.903 -6.499 125 HB2 SER 20 1HB SER 20 11.787 12.330 -7.495 126 HB3 SER 20 2HB SER 20 11.441 12.790 -5.827 127 HG SER 20 HG SER 20 12.949 14.164 -7.084 128 H ALA 21 H ALA 21 14.150 12.718 -4.682 129 HA ALA 21 HA ALA 21 14.530 11.342 -2.295 130 HB1 ALA 21 1HB ALA 21 14.452 14.122 -1.719 131 HB2 ALA 21 2HB ALA 21 15.859 13.080 -1.940 132 HB3 ALA 21 3HB ALA 21 15.150 13.909 -3.325 133 H THR 22 H THR 22 11.945 13.539 -3.264 134 HA THR 22 HA THR 22 10.503 12.817 -0.795 135 HB THR 22 HB THR 22 9.344 14.969 -0.901 136 HG1 THR 22 1HG THR 22 11.138 15.906 -2.850 137 HG21 THR 22 1HG2 THR 22 11.747 14.588 0.126 138 HG22 THR 22 2HG2 THR 22 11.016 16.193 0.086 139 HG23 THR 22 3HG2 THR 22 12.213 15.739 -1.126 140 H CYS 23 H CYS 23 10.491 11.420 -3.354 141 HA CYS 23 HA CYS 23 7.609 11.558 -3.858 142 HB2 CYS 23 1HB CYS 23 9.665 11.372 -6.069 143 HB3 CYS 23 2HB CYS 23 7.917 11.410 -6.263 144 HG CYS 23 HG CYS 23 9.679 13.875 -6.736 145 H ALA 24 H ALA 24 6.645 9.608 -4.356 146 HA ALA 24 HA ALA 24 8.240 7.249 -4.843 147 HB1 ALA 24 1HB ALA 24 6.704 6.375 -2.700 148 HB2 ALA 24 2HB ALA 24 8.449 6.636 -2.715 149 HB3 ALA 24 3HB ALA 24 7.370 7.919 -2.169 150 H GLN 25 H GLN 25 6.884 5.318 -5.187 151 HA GLN 25 HA GLN 25 4.068 5.898 -5.739 152 HB2 GLN 25 1HB GLN 25 5.406 6.274 -7.824 153 HB3 GLN 25 2HB GLN 25 5.886 4.583 -7.762 154 HG2 GLN 25 1HG GLN 25 3.621 3.866 -8.062 155 HG3 GLN 25 2HG GLN 25 3.034 5.523 -7.931 156 HE21 GLN 25 1HE2 GLN 25 2.231 4.216 -10.068 157 HE22 GLN 25 2HE2 GLN 25 3.071 4.722 -11.490 158 H VAL 26 H VAL 26 2.701 4.154 -5.563 159 HA VAL 26 HA VAL 26 3.946 1.611 -4.736 160 HB VAL 26 HB VAL 26 1.288 2.600 -3.721 161 HG11 VAL 26 1HG1 VAL 26 1.715 0.185 -3.599 162 HG12 VAL 26 2HG1 VAL 26 3.190 0.501 -2.682 163 HG13 VAL 26 3HG1 VAL 26 1.618 0.918 -1.997 164 HG21 VAL 26 1HG2 VAL 26 3.778 2.718 -2.073 165 HG22 VAL 26 2HG2 VAL 26 3.378 4.048 -3.159 166 HG23 VAL 26 3HG2 VAL 26 2.260 3.592 -1.874 167 H ASN 27 H ASN 27 2.954 -0.301 -5.385 168 HA ASN 27 HA ASN 27 0.616 -0.131 -7.122 169 HB2 ASN 27 1HB ASN 27 3.330 -1.118 -7.981 170 HB3 ASN 27 2HB ASN 27 1.856 -1.661 -8.777 171 HD21 ASN 27 1HD2 ASN 27 3.473 1.323 -7.755 172 HD22 ASN 27 2HD2 ASN 27 3.032 2.242 -9.150 173 H TRP 28 H TRP 28 -0.762 -1.703 -6.638 174 HA TRP 28 HA TRP 28 0.297 -4.169 -5.419 175 HB2 TRP 28 1HB TRP 28 -1.858 -4.296 -4.159 176 HB3 TRP 28 2HB TRP 28 -0.858 -2.917 -3.715 177 HD1 TRP 28 HD TRP 28 -4.263 -3.806 -5.020 178 HE1 TRP 28 1HE TRP 28 -5.629 -1.660 -5.408 179 HE3 TRP 28 3HE TRP 28 -0.525 -0.357 -4.494 180 HZ2 TRP 28 2HZ TRP 28 -5.181 1.126 -5.483 181 HZ3 TRP 28 3HZ TRP 28 -1.078 2.028 -4.739 182 HH2 TRP 28 HH TRP 28 -3.359 2.753 -5.224 183 H GLU 29 H GLU 29 -1.699 -5.854 -5.439 184 HA GLU 29 HA GLU 29 -3.075 -5.798 -8.003 185 HB2 GLU 29 1HB GLU 29 -2.197 -7.882 -8.786 186 HB3 GLU 29 2HB GLU 29 -0.834 -6.839 -8.412 187 HG2 GLU 29 1HG GLU 29 -0.638 -8.000 -6.218 188 HG3 GLU 29 2HG GLU 29 -1.882 -9.123 -6.761 189 H VAL 30 H VAL 30 -4.421 -7.895 -8.231 190 HA VAL 30 HA VAL 30 -5.785 -8.294 -5.672 191 HB VAL 30 HB VAL 30 -6.676 -8.980 -8.477 192 HG11 VAL 30 1HG1 VAL 30 -8.786 -9.576 -7.568 193 HG12 VAL 30 2HG1 VAL 30 -7.568 -10.445 -6.633 194 HG13 VAL 30 3HG1 VAL 30 -8.332 -9.003 -5.963 195 HG21 VAL 30 1HG2 VAL 30 -7.126 -6.796 -8.597 196 HG22 VAL 30 2HG2 VAL 30 -8.402 -7.104 -7.420 197 HG23 VAL 30 3HG2 VAL 30 -6.816 -6.557 -6.878 198 HA PRO 31 HA PRO 31 -4.113 -12.361 -5.240 199 HB2 PRO 31 1HB PRO 31 -5.871 -13.286 -3.390 200 HB3 PRO 31 2HB PRO 31 -4.583 -12.140 -3.003 201 HG2 PRO 31 1HG PRO 31 -7.484 -11.621 -3.527 202 HG3 PRO 31 2HG PRO 31 -6.432 -10.931 -2.278 203 HD2 PRO 31 1HD PRO 31 -7.063 -9.600 -4.550 204 HD3 PRO 31 2HD PRO 31 -5.501 -9.401 -3.728 205 H LEU 32 H LEU 32 -5.314 -14.671 -4.842 206 HA LEU 32 HA LEU 32 -6.707 -15.151 -7.324 207 HB2 LEU 32 1HB LEU 32 -5.544 -16.849 -5.167 208 HB3 LEU 32 2HB LEU 32 -6.717 -17.555 -6.276 209 HG LEU 32 HG LEU 32 -5.238 -16.939 -8.166 210 HD11 LEU 32 1HD1 LEU 32 -4.110 -15.068 -6.923 211 HD12 LEU 32 2HD1 LEU 32 -3.034 -16.140 -7.818 212 HD13 LEU 32 3HD1 LEU 32 -3.179 -16.297 -6.068 213 HD21 LEU 32 1HD2 LEU 32 -3.928 -18.816 -7.964 214 HD22 LEU 32 2HD2 LEU 32 -5.164 -19.135 -6.747 215 HD23 LEU 32 3HD2 LEU 32 -3.582 -18.526 -6.259 216 H SER 33 H SER 33 -8.316 -13.547 -5.904 217 HA SER 33 HA SER 33 -10.083 -14.410 -4.058 218 HB2 SER 33 1HB SER 33 -10.308 -12.206 -4.990 219 HB3 SER 33 2HB SER 33 -10.686 -12.859 -6.584 220 HG SER 33 HG SER 33 -12.267 -12.991 -4.234 221 H ASN 34 H ASN 34 -10.837 -16.435 -3.908 222 HA ASN 34 HA ASN 34 -11.299 -18.323 -5.776 223 HB2 ASN 34 1HB ASN 34 -13.066 -19.250 -4.288 224 HB3 ASN 34 2HB ASN 34 -11.606 -18.785 -3.418 225 HD21 ASN 34 1HD2 ASN 34 -11.695 -17.196 -1.910 226 HD22 ASN 34 2HD2 ASN 34 -13.158 -16.416 -1.422 227 H GLY 35 H GLY 35 -13.700 -15.886 -4.779 228 HA2 GLY 35 1HA GLY 35 -14.741 -15.607 -7.404 229 HA3 GLY 35 2HA GLY 35 -15.782 -16.653 -6.450 230 H THR 36 H THR 36 -13.939 -13.871 -5.297 231 HA THR 36 HA THR 36 -16.495 -12.515 -4.733 232 HB THR 36 HB THR 36 -15.153 -11.432 -2.803 233 HG1 THR 36 1HG THR 36 -13.619 -13.223 -2.041 234 HG21 THR 36 1HG2 THR 36 -16.915 -13.500 -2.898 235 HG22 THR 36 2HG2 THR 36 -16.267 -12.813 -1.409 236 HG23 THR 36 3HG2 THR 36 -15.539 -14.262 -2.102 237 H ASP 37 H ASP 37 -16.532 -10.248 -4.881 238 HA ASP 37 HA ASP 37 -14.438 -9.154 -6.619 239 HB2 ASP 37 1HB ASP 37 -16.019 -7.615 -7.433 240 HB3 ASP 37 2HB ASP 37 -16.927 -9.114 -7.252 241 H VAL 38 H VAL 38 -12.877 -8.120 -5.564 242 HA VAL 38 HA VAL 38 -12.989 -7.156 -2.954 243 HB VAL 38 HB VAL 38 -11.193 -6.237 -5.205 244 HG11 VAL 38 1HG1 VAL 38 -9.779 -5.916 -2.897 245 HG12 VAL 38 2HG1 VAL 38 -10.630 -4.626 -3.749 246 HG13 VAL 38 3HG1 VAL 38 -11.401 -5.447 -2.392 247 HG21 VAL 38 1HG2 VAL 38 -9.649 -7.783 -3.636 248 HG22 VAL 38 2HG2 VAL 38 -11.205 -8.581 -3.410 249 HG23 VAL 38 3HG2 VAL 38 -10.538 -8.395 -5.031 250 H THR 39 H THR 39 -14.558 -5.765 -2.364 251 HA THR 39 HA THR 39 -15.825 -3.823 -3.810 252 HB THR 39 HB THR 39 -16.166 -2.607 -1.621 253 HG1 THR 39 1HG THR 39 -15.310 -3.561 0.227 254 HG21 THR 39 1HG2 THR 39 -16.753 -5.529 -1.966 255 HG22 THR 39 2HG2 THR 39 -17.840 -4.150 -2.136 256 HG23 THR 39 3HG2 THR 39 -17.302 -4.658 -0.536 257 H GLU 40 H GLU 40 -13.195 -3.062 -1.517 258 HA GLU 40 HA GLU 40 -12.056 -1.191 -3.432 259 HB2 GLU 40 1HB GLU 40 -12.189 0.725 -2.051 260 HB3 GLU 40 2HB GLU 40 -13.805 0.033 -2.062 261 HG2 GLU 40 1HG GLU 40 -12.931 -1.182 0.104 262 HG3 GLU 40 2HG GLU 40 -11.821 0.186 0.140 263 H TYR 41 H TYR 41 -10.028 -0.152 -2.452 264 HA TYR 41 HA TYR 41 -8.655 -2.138 -0.763 265 HB2 TYR 41 1HB TYR 41 -7.834 -0.818 -3.299 266 HB3 TYR 41 2HB TYR 41 -6.585 -1.078 -2.086 267 HD1 TYR 41 2HD TYR 41 -6.055 -3.391 -1.339 268 HD2 TYR 41 1HD TYR 41 -8.718 -2.629 -4.569 269 HE1 TYR 41 2HE TYR 41 -5.812 -5.723 -2.080 270 HE2 TYR 41 1HE TYR 41 -8.484 -4.961 -5.318 271 HH TYR 41 HH TYR 41 -7.439 -6.899 -5.008 272 H ARG 42 H ARG 42 -7.985 -1.370 1.120 273 HA ARG 42 HA ARG 42 -7.772 1.529 1.478 274 HB2 ARG 42 1HB ARG 42 -8.328 -0.774 3.281 275 HB3 ARG 42 2HB ARG 42 -7.516 0.625 3.973 276 HG2 ARG 42 1HG ARG 42 -9.357 2.056 3.204 277 HG3 ARG 42 2HG ARG 42 -10.176 0.631 2.561 278 HD2 ARG 42 1HD ARG 42 -10.206 -0.331 4.836 279 HD3 ARG 42 2HD ARG 42 -9.473 1.150 5.447 280 HE ARG 42 HE ARG 42 -12.222 0.763 4.659 281 HH11 ARG 42 1HH1 ARG 42 -9.679 3.061 5.275 282 HH12 ARG 42 2HH1 ARG 42 -10.764 4.376 5.580 283 HH21 ARG 42 1HH2 ARG 42 -13.660 2.488 5.060 284 HH22 ARG 42 2HH2 ARG 42 -13.028 4.050 5.459 285 H LEU 43 H LEU 43 -5.782 2.216 0.951 286 HA LEU 43 HA LEU 43 -3.453 0.641 1.751 287 HB2 LEU 43 1HB LEU 43 -3.558 1.443 -0.553 288 HB3 LEU 43 2HB LEU 43 -3.668 3.104 0.026 289 HG LEU 43 HG LEU 43 -1.380 2.755 1.056 290 HD11 LEU 43 1HD1 LEU 43 -1.550 0.237 0.884 291 HD12 LEU 43 2HD1 LEU 43 -0.031 0.955 0.348 292 HD13 LEU 43 3HD1 LEU 43 -1.223 0.426 -0.838 293 HD21 LEU 43 1HD2 LEU 43 -0.471 3.697 -0.773 294 HD22 LEU 43 2HD2 LEU 43 -2.128 3.668 -1.378 295 HD23 LEU 43 3HD2 LEU 43 -0.998 2.393 -1.837 296 H GLU 44 H GLU 44 -2.476 1.067 3.607 297 HA GLU 44 HA GLU 44 -2.873 3.686 4.860 298 HB2 GLU 44 1HB GLU 44 -2.017 1.003 5.927 299 HB3 GLU 44 2HB GLU 44 -1.822 2.477 6.866 300 HG2 GLU 44 1HG GLU 44 -4.331 2.833 6.431 301 HG3 GLU 44 2HG GLU 44 -4.342 1.126 5.988 302 H TRP 45 H TRP 45 -1.229 5.062 5.304 303 HA TRP 45 HA TRP 45 1.530 4.208 4.990 304 HB2 TRP 45 1HB TRP 45 0.845 4.834 2.702 305 HB3 TRP 45 2HB TRP 45 0.373 6.427 3.288 306 HD1 TRP 45 HD TRP 45 2.653 7.635 4.717 307 HE1 TRP 45 1HE TRP 45 5.013 7.907 3.728 308 HE3 TRP 45 3HE TRP 45 2.423 4.060 1.068 309 HZ2 TRP 45 2HZ TRP 45 6.572 6.761 1.673 310 HZ3 TRP 45 3HZ TRP 45 4.392 3.711 -0.365 311 HH2 TRP 45 HH TRP 45 6.422 5.035 -0.068 312 H GLY 46 H GLY 46 2.850 5.257 6.362 313 HA2 GLY 46 1HA GLY 46 2.082 7.896 7.365 314 HA3 GLY 46 2HA GLY 46 2.236 6.600 8.541 315 H GLY 47 H GLY 47 4.397 5.330 8.261 316 HA2 GLY 47 1HA GLY 47 6.700 6.258 7.179 317 HA3 GLY 47 2HA GLY 47 6.492 7.290 8.585 318 H VAL 48 H VAL 48 5.388 5.424 10.363 319 HA VAL 48 HA VAL 48 7.646 3.558 10.703 320 HB VAL 48 HB VAL 48 6.147 5.189 12.733 321 HG11 VAL 48 1HG1 VAL 48 7.641 3.772 14.364 322 HG12 VAL 48 2HG1 VAL 48 6.044 3.202 13.874 323 HG13 VAL 48 3HG1 VAL 48 7.489 2.555 13.097 324 HG21 VAL 48 1HG2 VAL 48 8.004 6.401 12.308 325 HG22 VAL 48 2HG2 VAL 48 8.745 5.264 13.434 326 HG23 VAL 48 3HG2 VAL 48 8.903 5.012 11.696 327 H GLU 49 H GLU 49 7.096 1.494 10.558 328 HA GLU 49 HA GLU 49 4.636 0.433 10.118 329 HB2 GLU 49 1HB GLU 49 5.515 -1.718 10.736 330 HB3 GLU 49 2HB GLU 49 6.800 -0.795 9.968 331 HG2 GLU 49 1HG GLU 49 7.998 -0.584 11.900 332 HG3 GLU 49 2HG GLU 49 6.573 -0.711 12.929 333 H GLY 50 H GLY 50 5.954 1.442 13.175 334 HA2 GLY 50 1HA GLY 50 4.137 0.053 14.858 335 HA3 GLY 50 2HA GLY 50 5.089 1.460 15.305 336 H SER 51 H SER 51 4.058 3.245 13.347 337 HA SER 51 HA SER 51 1.217 3.425 14.078 338 HB2 SER 51 1HB SER 51 2.202 4.930 15.615 339 HB3 SER 51 2HB SER 51 3.336 5.544 14.413 340 HG SER 51 HG SER 51 0.560 6.023 14.628 341 H MET 52 H MET 52 -0.011 3.640 12.337 342 HA MET 52 HA MET 52 0.776 5.358 10.152 343 HB2 MET 52 1HB MET 52 0.499 2.375 9.801 344 HB3 MET 52 2HB MET 52 0.360 3.505 8.461 345 HG2 MET 52 1HG MET 52 2.687 4.337 9.418 346 HG3 MET 52 2HG MET 52 2.741 2.681 10.016 347 HE1 MET 52 1HE MET 52 2.005 0.588 8.127 348 HE2 MET 52 2HE MET 52 0.727 1.662 7.559 349 HE3 MET 52 3HE MET 52 1.871 0.968 6.410 350 H GLN 53 H GLN 53 -0.966 5.619 8.555 351 HA GLN 53 HA GLN 53 -3.600 4.723 9.451 352 HB2 GLN 53 1HB GLN 53 -4.535 6.963 9.341 353 HB3 GLN 53 2HB GLN 53 -3.220 6.918 10.507 354 HG2 GLN 53 1HG GLN 53 -2.795 7.823 7.682 355 HG3 GLN 53 2HG GLN 53 -3.354 8.921 8.942 356 HE21 GLN 53 1HE2 GLN 53 -1.973 8.611 11.046 357 HE22 GLN 53 2HE2 GLN 53 -0.266 8.678 10.790 358 H ILE 54 H ILE 54 -5.290 5.731 7.785 359 HA ILE 54 HA ILE 54 -4.606 4.600 5.258 360 HB ILE 54 HB ILE 54 -7.018 6.282 5.942 361 HG12 ILE 54 1HG1 ILE 54 -6.471 4.106 7.311 362 HG13 ILE 54 2HG1 ILE 54 -8.107 4.401 6.734 363 HG21 ILE 54 1HG2 ILE 54 -6.728 6.070 3.568 364 HG22 ILE 54 2HG2 ILE 54 -6.474 4.332 3.713 365 HG23 ILE 54 3HG2 ILE 54 -8.056 5.024 4.071 366 HD11 ILE 54 1HD1 ILE 54 -7.377 2.088 6.388 367 HD12 ILE 54 2HD1 ILE 54 -7.754 2.907 4.872 368 HD13 ILE 54 3HD1 ILE 54 -6.074 2.669 5.352 369 H CYS 55 H CYS 55 -3.997 5.553 3.395 370 HA CYS 55 HA CYS 55 -3.713 8.486 3.411 371 HB2 CYS 55 1HB CYS 55 -1.759 8.190 1.938 372 HB3 CYS 55 2HB CYS 55 -1.538 7.380 3.484 373 HG CYS 55 HG CYS 55 -1.306 6.138 0.473 374 H TYR 56 H TYR 56 -4.511 5.639 1.509 375 HA TYR 56 HA TYR 56 -6.025 7.346 -0.320 376 HB2 TYR 56 1HB TYR 56 -4.013 7.066 -1.555 377 HB3 TYR 56 2HB TYR 56 -3.910 5.359 -1.143 378 HD1 TYR 56 2HD TYR 56 -5.366 3.723 -2.256 379 HD2 TYR 56 1HD TYR 56 -5.417 7.834 -3.353 380 HE1 TYR 56 2HE TYR 56 -6.541 3.147 -4.337 381 HE2 TYR 56 1HE TYR 56 -6.594 7.269 -5.437 382 HH TYR 56 HH TYR 56 -7.252 5.596 -6.786 383 H CYS 57 H CYS 57 -7.879 6.428 -1.104 384 HA CYS 57 HA CYS 57 -8.391 3.607 -0.486 385 HB2 CYS 57 1HB CYS 57 -10.307 3.996 0.733 386 HB3 CYS 57 2HB CYS 57 -9.334 5.377 1.225 387 HG CYS 57 HG CYS 57 -10.874 7.239 0.301 388 H GLY 58 H GLY 58 -9.429 2.532 -2.064 389 HA2 GLY 58 1HA GLY 58 -11.423 3.247 -3.731 390 HA3 GLY 58 2HA GLY 58 -10.020 3.958 -4.513 391 HA PRO 59 HA PRO 59 -10.628 -0.638 -5.591 392 HB2 PRO 59 1HB PRO 59 -11.594 -0.323 -8.109 393 HB3 PRO 59 2HB PRO 59 -12.638 -0.436 -6.687 394 HG2 PRO 59 1HG PRO 59 -11.728 1.993 -8.182 395 HG3 PRO 59 2HG PRO 59 -13.337 1.611 -7.543 396 HD2 PRO 59 1HD PRO 59 -11.623 3.280 -6.273 397 HD3 PRO 59 2HD PRO 59 -12.775 2.248 -5.400 398 H GLY 60 H GLY 60 -9.123 2.170 -6.825 399 HA2 GLY 60 1HA GLY 60 -7.763 1.423 -9.068 400 HA3 GLY 60 2HA GLY 60 -7.056 2.429 -7.813 401 H LEU 61 H LEU 61 -5.489 0.762 -9.353 402 HA LEU 61 HA LEU 61 -4.768 -1.369 -7.449 403 HB2 LEU 61 1HB LEU 61 -4.463 -1.255 -10.441 404 HB3 LEU 61 2HB LEU 61 -3.663 -2.458 -9.431 405 HG LEU 61 HG LEU 61 -6.651 -2.115 -9.687 406 HD11 LEU 61 1HD1 LEU 61 -6.310 -3.118 -11.665 407 HD12 LEU 61 2HD1 LEU 61 -6.060 -4.565 -10.690 408 HD13 LEU 61 3HD1 LEU 61 -4.675 -3.625 -11.243 409 HD21 LEU 61 1HD2 LEU 61 -4.999 -4.244 -8.330 410 HD22 LEU 61 2HD2 LEU 61 -6.755 -4.243 -8.494 411 HD23 LEU 61 3HD2 LEU 61 -5.959 -3.005 -7.522 412 H SER 62 H SER 62 -3.845 1.561 -8.792 413 HA SER 62 HA SER 62 -1.168 1.284 -7.667 414 HB2 SER 62 1HB SER 62 -1.661 2.256 -10.494 415 HB3 SER 62 2HB SER 62 -0.109 2.292 -9.656 416 HG SER 62 HG SER 62 -0.731 -0.134 -9.401 417 H TYR 63 H TYR 63 -0.346 3.162 -6.830 418 HA TYR 63 HA TYR 63 -1.772 5.666 -7.314 419 HB2 TYR 63 1HB TYR 63 -2.893 4.707 -5.370 420 HB3 TYR 63 2HB TYR 63 -1.345 4.483 -4.561 421 HD1 TYR 63 1HD TYR 63 -3.405 7.194 -6.104 422 HD2 TYR 63 2HD TYR 63 -0.653 6.091 -3.052 423 HE1 TYR 63 1HE TYR 63 -3.603 9.441 -5.121 424 HE2 TYR 63 2HE TYR 63 -0.844 8.334 -2.060 425 HH TYR 63 HH TYR 63 -1.478 10.577 -2.692 426 H GLU 64 H GLU 64 -0.574 7.538 -6.820 427 HA GLU 64 HA GLU 64 2.307 7.041 -6.462 428 HB2 GLU 64 1HB GLU 64 1.434 8.050 -8.656 429 HB3 GLU 64 2HB GLU 64 1.118 9.504 -7.720 430 HG2 GLU 64 1HG GLU 64 3.497 9.591 -7.098 431 HG3 GLU 64 2HG GLU 64 3.791 8.178 -8.110 432 H ILE 65 H ILE 65 3.267 7.844 -4.714 433 HA ILE 65 HA ILE 65 1.786 9.806 -3.095 434 HB ILE 65 HB ILE 65 3.754 7.666 -2.327 435 HG12 ILE 65 1HG1 ILE 65 1.079 8.329 -1.103 436 HG13 ILE 65 2HG1 ILE 65 1.227 7.278 -2.508 437 HG21 ILE 65 1HG2 ILE 65 2.937 10.099 -0.766 438 HG22 ILE 65 2HG2 ILE 65 3.521 8.629 0.013 439 HG23 ILE 65 3HG2 ILE 65 4.562 9.507 -1.107 440 HD11 ILE 65 1HD1 ILE 65 1.067 6.154 -0.255 441 HD12 ILE 65 2HD1 ILE 65 2.403 5.651 -1.289 442 HD13 ILE 65 3HD1 ILE 65 2.696 6.756 0.054 443 H LYS 66 H LYS 66 2.731 11.684 -2.459 444 HA LYS 66 HA LYS 66 5.557 12.129 -3.080 445 HB2 LYS 66 1HB LYS 66 3.251 13.766 -4.123 446 HB3 LYS 66 2HB LYS 66 4.885 14.408 -4.019 447 HG2 LYS 66 1HG LYS 66 5.656 12.559 -5.471 448 HG3 LYS 66 2HG LYS 66 3.978 12.041 -5.643 449 HD2 LYS 66 1HD LYS 66 4.448 13.353 -7.550 450 HD3 LYS 66 2HD LYS 66 3.488 14.382 -6.485 451 HE2 LYS 66 1HE LYS 66 5.677 15.308 -5.624 452 HE3 LYS 66 2HE LYS 66 6.460 14.458 -6.955 453 HZ1 LYS 66 1HZ LYS 66 4.642 15.728 -8.330 454 HZ2 LYS 66 2HZ LYS 66 6.102 16.474 -7.914 455 HZ3 LYS 66 3HZ LYS 66 4.703 16.798 -7.021 456 H GLY 67 H GLY 67 6.107 14.515 -2.318 457 HA2 GLY 67 1HA GLY 67 6.181 16.061 -0.607 458 HA3 GLY 67 2HA GLY 67 4.597 15.500 -0.094 459 H LEU 68 H LEU 68 7.541 13.574 -0.431 460 HA LEU 68 HA LEU 68 7.307 12.874 2.409 461 HB2 LEU 68 1HB LEU 68 9.006 11.487 0.356 462 HB3 LEU 68 2HB LEU 68 8.479 10.879 1.923 463 HG LEU 68 HG LEU 68 6.536 11.448 -0.299 464 HD11 LEU 68 1HD1 LEU 68 7.568 9.817 -1.443 465 HD12 LEU 68 2HD1 LEU 68 6.775 8.748 -0.287 466 HD13 LEU 68 3HD1 LEU 68 8.449 9.238 -0.028 467 HD21 LEU 68 1HD2 LEU 68 5.173 9.814 0.943 468 HD22 LEU 68 2HD2 LEU 68 5.576 11.232 1.910 469 HD23 LEU 68 3HD2 LEU 68 6.438 9.714 2.167 470 H SER 69 H SER 69 9.623 12.152 3.274 471 HA SER 69 HA SER 69 11.408 14.450 2.805 472 HB2 SER 69 1HB SER 69 10.333 14.258 5.087 473 HB3 SER 69 2HB SER 69 11.264 12.779 5.321 474 HG SER 69 HG SER 69 12.209 15.422 5.000 475 HA PRO 70 HA PRO 70 14.496 11.648 1.391 476 HB2 PRO 70 1HB PRO 70 16.689 13.184 1.833 477 HB3 PRO 70 2HB PRO 70 15.550 13.493 0.517 478 HG2 PRO 70 1HG PRO 70 15.751 14.810 3.198 479 HG3 PRO 70 2HG PRO 70 15.476 15.546 1.608 480 HD2 PRO 70 1HD PRO 70 13.470 15.088 3.368 481 HD3 PRO 70 2HD PRO 70 13.233 15.013 1.610 482 H ALA 71 H ALA 71 16.201 10.315 2.129 483 HA ALA 71 HA ALA 71 17.109 8.900 3.679 484 HB1 ALA 71 1HB ALA 71 17.869 11.649 4.442 485 HB2 ALA 71 2HB ALA 71 18.151 10.396 5.651 486 HB3 ALA 71 3HB ALA 71 18.878 10.256 4.051 487 H THR 72 H THR 72 14.502 8.738 4.020 488 HA THR 72 HA THR 72 14.213 8.517 6.919 489 HB THR 72 HB THR 72 12.113 9.834 5.185 490 HG1 THR 72 1HG THR 72 14.119 10.814 6.873 491 HG21 THR 72 1HG2 THR 72 12.159 9.359 8.168 492 HG22 THR 72 2HG2 THR 72 11.193 8.446 7.008 493 HG23 THR 72 3HG2 THR 72 10.883 10.164 7.254 494 H THR 73 H THR 73 13.057 6.762 7.568 495 HA THR 73 HA THR 73 12.458 4.774 5.572 496 HB THR 73 HB THR 73 11.790 4.492 8.490 497 HG1 THR 73 1HG THR 73 14.308 4.681 7.280 498 HG21 THR 73 1HG2 THR 73 12.721 2.138 7.865 499 HG22 THR 73 2HG2 THR 73 12.426 2.664 6.207 500 HG23 THR 73 3HG2 THR 73 11.093 2.593 7.360 501 H TYR 74 H TYR 74 10.440 3.764 5.241 502 HA TYR 74 HA TYR 74 8.073 5.051 6.360 503 HB2 TYR 74 1HB TYR 74 8.759 4.988 3.426 504 HB3 TYR 74 2HB TYR 74 7.099 5.140 3.988 505 HD1 TYR 74 1HD TYR 74 6.359 7.164 5.152 506 HD2 TYR 74 2HD TYR 74 10.319 6.816 3.636 507 HE1 TYR 74 1HE TYR 74 6.655 9.595 5.383 508 HE2 TYR 74 2HE TYR 74 10.626 9.245 3.863 509 HH TYR 74 HH TYR 74 8.006 11.372 4.548 510 H TYR 75 H TYR 75 6.056 3.872 5.713 511 HA TYR 75 HA TYR 75 6.450 1.111 4.883 512 HB2 TYR 75 1HB TYR 75 5.311 1.853 7.585 513 HB3 TYR 75 2HB TYR 75 5.228 0.245 6.876 514 HD1 TYR 75 2HD TYR 75 7.353 -1.026 6.476 515 HD2 TYR 75 1HD TYR 75 7.266 2.605 8.692 516 HE1 TYR 75 2HE TYR 75 9.549 -1.568 7.440 517 HE2 TYR 75 1HE TYR 75 9.464 2.073 9.661 518 HH TYR 75 HH TYR 75 11.561 0.242 8.568 519 H CYS 76 H CYS 76 4.504 0.044 4.289 520 HA CYS 76 HA CYS 76 2.001 1.474 4.385 521 HB2 CYS 76 1HB CYS 76 1.685 1.805 2.063 522 HB3 CYS 76 2HB CYS 76 3.297 2.421 2.406 523 HG CYS 76 HG CYS 76 4.564 0.928 0.743 524 H ARG 77 H ARG 77 0.235 0.155 4.061 525 HA ARG 77 HA ARG 77 0.750 -2.627 3.278 526 HB2 ARG 77 1HB ARG 77 -0.652 -3.436 5.121 527 HB3 ARG 77 2HB ARG 77 0.758 -2.572 5.719 528 HG2 ARG 77 1HG ARG 77 -0.670 -0.566 6.030 529 HG3 ARG 77 2HG ARG 77 -2.066 -1.544 5.570 530 HD2 ARG 77 1HD ARG 77 -2.158 -1.730 7.853 531 HD3 ARG 77 2HD ARG 77 -1.171 -3.136 7.454 532 HE ARG 77 HE ARG 77 0.530 -0.960 7.890 533 HH11 ARG 77 1HH1 ARG 77 -1.666 -3.005 9.653 534 HH12 ARG 77 2HH1 ARG 77 -0.821 -2.839 11.156 535 HH21 ARG 77 1HH2 ARG 77 1.652 -0.732 9.863 536 HH22 ARG 77 2HH2 ARG 77 1.066 -1.544 11.274 537 H VAL 78 H VAL 78 -0.804 -3.536 2.039 538 HA VAL 78 HA VAL 78 -3.262 -1.968 1.595 539 HB VAL 78 HB VAL 78 -1.718 -1.891 -0.340 540 HG11 VAL 78 1HG1 VAL 78 -2.215 -4.861 -0.516 541 HG12 VAL 78 2HG1 VAL 78 -1.287 -3.880 -1.651 542 HG13 VAL 78 3HG1 VAL 78 -0.703 -4.113 -0.003 543 HG21 VAL 78 1HG2 VAL 78 -3.626 -1.605 -1.443 544 HG22 VAL 78 2HG2 VAL 78 -3.663 -3.340 -1.753 545 HG23 VAL 78 3HG2 VAL 78 -4.478 -2.681 -0.335 546 H GLN 79 H GLN 79 -5.190 -3.049 1.470 547 HA GLN 79 HA GLN 79 -5.152 -5.973 1.677 548 HB2 GLN 79 1HB GLN 79 -6.612 -6.021 3.549 549 HB3 GLN 79 2HB GLN 79 -5.315 -4.908 3.964 550 HG2 GLN 79 1HG GLN 79 -6.714 -3.017 3.566 551 HG3 GLN 79 2HG GLN 79 -7.988 -4.037 2.899 552 HE21 GLN 79 1HE2 GLN 79 -9.316 -5.177 4.266 553 HE22 GLN 79 2HE2 GLN 79 -9.350 -4.921 5.974 554 H ALA 80 H ALA 80 -7.115 -7.001 1.050 555 HA ALA 80 HA ALA 80 -8.701 -5.357 -0.792 556 HB1 ALA 80 1HB ALA 80 -7.805 -7.124 -2.001 557 HB2 ALA 80 2HB ALA 80 -8.053 -8.278 -0.690 558 HB3 ALA 80 3HB ALA 80 -9.432 -7.689 -1.619 559 H LEU 81 H LEU 81 -10.731 -4.848 -0.311 560 HA LEU 81 HA LEU 81 -12.019 -6.184 1.953 561 HB2 LEU 81 1HB LEU 81 -12.470 -3.563 0.565 562 HB3 LEU 81 2HB LEU 81 -13.671 -4.243 1.661 563 HG LEU 81 HG LEU 81 -11.615 -4.324 3.314 564 HD11 LEU 81 1HD1 LEU 81 -9.797 -3.530 2.221 565 HD12 LEU 81 2HD1 LEU 81 -10.448 -1.990 2.776 566 HD13 LEU 81 3HD1 LEU 81 -10.751 -2.530 1.125 567 HD21 LEU 81 1HD2 LEU 81 -12.256 -1.712 3.642 568 HD22 LEU 81 2HD2 LEU 81 -13.251 -3.060 4.194 569 HD23 LEU 81 3HD2 LEU 81 -13.610 -2.269 2.658 570 H SER 82 H SER 82 -13.821 -7.386 1.758 571 HA SER 82 HA SER 82 -14.940 -7.693 -0.948 572 HB2 SER 82 1HB SER 82 -15.774 -9.929 0.013 573 HB3 SER 82 2HB SER 82 -14.046 -9.781 -0.306 574 HG SER 82 HG SER 82 -14.516 -10.686 1.766 575 H VAL 83 H VAL 83 -17.283 -8.873 -0.551 576 HA VAL 83 HA VAL 83 -18.837 -6.802 0.805 577 HB VAL 83 HB VAL 83 -20.784 -8.032 -0.353 578 HG11 VAL 83 1HG1 VAL 83 -20.302 -5.943 -1.210 579 HG12 VAL 83 2HG1 VAL 83 -18.663 -6.396 -1.679 580 HG13 VAL 83 3HG1 VAL 83 -20.043 -6.978 -2.613 581 HG21 VAL 83 1HG2 VAL 83 -18.803 -8.984 -2.338 582 HG22 VAL 83 2HG2 VAL 83 -18.998 -9.948 -0.874 583 HG23 VAL 83 3HG2 VAL 83 -20.387 -9.634 -1.915 584 H VAL 84 H VAL 84 -17.555 -9.710 1.597 585 HA VAL 84 HA VAL 84 -19.783 -10.358 3.418 586 HB VAL 84 HB VAL 84 -19.183 -12.082 1.616 587 HG11 VAL 84 1HG1 VAL 84 -17.282 -13.455 1.934 588 HG12 VAL 84 2HG1 VAL 84 -16.704 -11.790 2.001 589 HG13 VAL 84 3HG1 VAL 84 -16.916 -12.711 3.490 590 HG21 VAL 84 1HG2 VAL 84 -20.592 -12.628 3.498 591 HG22 VAL 84 2HG2 VAL 84 -19.475 -13.960 3.201 592 HG23 VAL 84 3HG2 VAL 84 -19.181 -12.844 4.534 593 H GLY 85 H GLY 85 -16.642 -9.219 3.199 594 HA2 GLY 85 1HA GLY 85 -16.303 -9.028 5.989 595 HA3 GLY 85 2HA GLY 85 -15.355 -10.383 5.396 596 H ALA 86 H ALA 86 -13.300 -9.731 5.423 597 HA ALA 86 HA ALA 86 -12.402 -7.744 3.601 598 HB1 ALA 86 1HB ALA 86 -13.289 -6.480 5.710 599 HB2 ALA 86 2HB ALA 86 -11.751 -6.983 6.410 600 HB3 ALA 86 3HB ALA 86 -11.773 -5.993 4.951 601 H GLY 87 H GLY 87 -10.453 -8.365 2.923 602 HA2 GLY 87 1HA GLY 87 -9.095 -10.543 4.166 603 HA3 GLY 87 2HA GLY 87 -8.526 -9.617 2.784 604 HA PRO 88 HA PRO 88 -6.267 -8.579 6.877 605 HB2 PRO 88 1HB PRO 88 -4.072 -10.151 6.593 606 HB3 PRO 88 2HB PRO 88 -5.529 -10.679 7.444 607 HG2 PRO 88 1HG PRO 88 -4.652 -11.269 4.643 608 HG3 PRO 88 2HG PRO 88 -5.358 -12.362 5.848 609 HD2 PRO 88 1HD PRO 88 -6.810 -11.275 3.838 610 HD3 PRO 88 2HD PRO 88 -7.506 -11.635 5.431 611 H PHE 89 H PHE 89 -4.114 -7.546 7.003 612 HA PHE 89 HA PHE 89 -3.584 -6.060 4.590 613 HB2 PHE 89 1HB PHE 89 -2.733 -5.888 7.443 614 HB3 PHE 89 2HB PHE 89 -1.710 -5.124 6.230 615 HD1 PHE 89 2HD PHE 89 -3.155 -3.717 4.433 616 HD2 PHE 89 1HD PHE 89 -4.278 -4.545 8.454 617 HE1 PHE 89 2HE PHE 89 -4.637 -1.754 4.420 618 HE2 PHE 89 1HE PHE 89 -5.764 -2.583 8.447 619 HZ PHE 89 HZ PHE 89 -5.943 -1.184 6.429 620 H SER 90 H SER 90 -1.963 -6.346 3.188 621 HA SER 90 HA SER 90 -0.495 -8.708 3.081 622 HB2 SER 90 1HB SER 90 0.804 -7.630 1.294 623 HB3 SER 90 2HB SER 90 -0.917 -7.292 1.114 624 HG SER 90 HG SER 90 0.622 -5.488 2.587 625 H GLU 91 H GLU 91 2.074 -8.433 2.700 626 HA GLU 91 HA GLU 91 3.135 -8.044 5.318 627 HB2 GLU 91 1HB GLU 91 4.527 -8.563 2.686 628 HB3 GLU 91 2HB GLU 91 5.311 -8.601 4.258 629 HG2 GLU 91 1HG GLU 91 3.774 -10.424 4.928 630 HG3 GLU 91 2HG GLU 91 3.128 -10.430 3.287 631 H VAL 92 H VAL 92 3.569 -6.129 6.170 632 HA VAL 92 HA VAL 92 3.560 -3.673 5.040 633 HB VAL 92 HB VAL 92 5.245 -4.688 7.318 634 HG11 VAL 92 1HG1 VAL 92 5.758 -2.369 7.889 635 HG12 VAL 92 2HG1 VAL 92 6.430 -2.801 6.316 636 HG13 VAL 92 3HG1 VAL 92 4.965 -1.824 6.411 637 HG21 VAL 92 1HG2 VAL 92 2.599 -4.278 7.206 638 HG22 VAL 92 2HG2 VAL 92 3.550 -4.031 8.671 639 HG23 VAL 92 3HG2 VAL 92 3.124 -2.654 7.653 640 H VAL 93 H VAL 93 4.667 -2.692 3.490 641 HA VAL 93 HA VAL 93 7.274 -3.770 2.700 642 HB VAL 93 HB VAL 93 5.498 -1.803 1.249 643 HG11 VAL 93 1HG1 VAL 93 7.114 -1.532 -0.264 644 HG12 VAL 93 2HG1 VAL 93 8.205 -2.249 0.925 645 HG13 VAL 93 3HG1 VAL 93 7.462 -3.260 -0.316 646 HG21 VAL 93 1HG2 VAL 93 5.874 -4.774 0.938 647 HG22 VAL 93 2HG2 VAL 93 4.384 -3.904 1.300 648 HG23 VAL 93 3HG2 VAL 93 5.126 -3.755 -0.292 649 H ALA 94 H ALA 94 9.058 -2.791 3.362 650 HA ALA 94 HA ALA 94 8.916 -0.065 4.393 651 HB1 ALA 94 1HB ALA 94 11.490 -1.495 4.467 652 HB2 ALA 94 2HB ALA 94 10.656 -0.585 5.727 653 HB3 ALA 94 3HB ALA 94 10.172 -2.242 5.369 654 H CYS 95 H CYS 95 10.275 1.607 3.686 655 HA CYS 95 HA CYS 95 12.029 1.245 1.441 656 HB2 CYS 95 1HB CYS 95 10.769 2.886 -0.005 657 HB3 CYS 95 2HB CYS 95 10.013 1.306 0.164 658 HG CYS 95 HG CYS 95 8.467 2.570 2.443 659 H VAL 96 H VAL 96 13.637 2.668 1.600 660 HA VAL 96 HA VAL 96 13.201 5.068 3.253 661 HB VAL 96 HB VAL 96 15.797 3.613 2.728 662 HG11 VAL 96 1HG1 VAL 96 15.312 5.757 4.774 663 HG12 VAL 96 2HG1 VAL 96 16.849 5.129 4.175 664 HG13 VAL 96 3HG1 VAL 96 15.839 6.134 3.134 665 HG21 VAL 96 1HG2 VAL 96 15.152 2.217 4.335 666 HG22 VAL 96 2HG2 VAL 96 15.198 3.577 5.456 667 HG23 VAL 96 3HG2 VAL 96 13.691 3.155 4.642 668 H THR 97 H THR 97 13.173 6.923 2.186 669 HA THR 97 HA THR 97 13.923 7.129 -0.553 670 HB THR 97 HB THR 97 13.338 9.480 -0.381 671 HG1 THR 97 1HG THR 97 14.244 9.379 2.000 672 HG21 THR 97 1HG2 THR 97 11.621 7.330 0.315 673 HG22 THR 97 2HG2 THR 97 11.202 8.856 -0.463 674 HG23 THR 97 3HG2 THR 97 11.162 8.722 1.294 675 HA PRO 98 HA PRO 98 18.167 8.235 -0.257 676 HB2 PRO 98 1HB PRO 98 18.413 9.798 -2.462 677 HB3 PRO 98 2HB PRO 98 18.238 8.042 -2.544 678 HG2 PRO 98 1HG PRO 98 16.168 10.172 -2.920 679 HG3 PRO 98 2HG PRO 98 16.433 8.692 -3.860 680 HD2 PRO 98 1HD PRO 98 14.502 8.893 -1.972 681 HD3 PRO 98 2HD PRO 98 15.344 7.368 -2.319 682 HA PRO 99 HA PRO 99 18.407 12.126 1.813 683 HB2 PRO 99 1HB PRO 99 21.095 12.491 1.724 684 HB3 PRO 99 2HB PRO 99 20.320 11.317 2.794 685 HG2 PRO 99 1HG PRO 99 21.648 10.880 0.146 686 HG3 PRO 99 2HG PRO 99 21.763 9.914 1.628 687 HD2 PRO 99 1HD PRO 99 20.181 9.207 -0.452 688 HD3 PRO 99 2HD PRO 99 19.762 8.840 1.234 689 H SER 100 H SER 100 18.185 14.195 1.207 690 HA SER 100 HA SER 100 19.022 14.929 -1.508 691 HB2 SER 100 1HB SER 100 16.586 15.160 -0.640 692 HB3 SER 100 2HB SER 100 17.192 16.578 0.217 693 HG SER 100 HG SER 100 16.827 17.543 -1.615 694 H SER 101 H SER 101 20.732 16.187 -1.778 695 HA SER 101 HA SER 101 21.767 17.681 0.523 696 HB2 SER 101 1HB SER 101 23.209 16.012 -0.783 697 HB3 SER 101 2HB SER 101 23.218 17.208 -2.080 698 HG SER 101 HG SER 101 24.093 17.648 0.586 699 H GLY 102 H GLY 102 21.383 18.109 -3.002 700 HA2 GLY 102 1HA GLY 102 20.102 20.593 -2.841 701 HA3 GLY 102 2HA GLY 102 21.828 20.893 -2.987 702 HA PRO 103 HA PRO 103 19.803 20.267 -7.202 703 HB2 PRO 103 1HB PRO 103 20.254 22.772 -8.149 704 HB3 PRO 103 2HB PRO 103 18.787 22.327 -7.268 705 HG2 PRO 103 1HG PRO 103 21.244 23.717 -6.274 706 HG3 PRO 103 2HG PRO 103 19.542 24.080 -5.940 707 HD2 PRO 103 1HD PRO 103 21.113 22.728 -4.197 708 HD3 PRO 103 2HD PRO 103 19.371 22.422 -4.348 709 H SER 104 H SER 104 21.557 18.909 -7.686 710 HA SER 104 HA SER 104 24.228 19.663 -7.918 711 HB2 SER 104 1HB SER 104 23.067 17.308 -8.050 712 HB3 SER 104 2HB SER 104 23.075 17.622 -9.786 713 HG SER 104 HG SER 104 25.269 17.686 -9.770 714 H SER 105 H SER 105 25.459 20.543 -9.508 715 HA SER 105 HA SER 105 24.029 21.883 -11.662 716 HB2 SER 105 1HB SER 105 26.173 23.082 -12.015 717 HB3 SER 105 2HB SER 105 25.591 23.222 -10.357 718 HG SER 105 HG SER 105 27.838 22.721 -10.487 719 H GLY 106 H GLY 106 23.814 20.915 -13.562 720 HA2 GLY 106 1HA GLY 106 26.020 19.877 -15.010 721 HA3 GLY 106 2HA GLY 106 25.058 18.559 -14.354 Start of MODEL 8 1 H1 GLY 1 H GLY 1 -11.126 -5.227 14.828 2 HA2 GLY 1 1HA GLY 1 -11.702 -6.785 13.146 3 HA3 GLY 1 2HA GLY 1 -10.532 -5.747 12.344 4 H SER 2 H SER 2 -11.270 -8.901 13.295 5 HA SER 2 HA SER 2 -8.515 -9.779 12.718 6 HB2 SER 2 1HB SER 2 -10.628 -10.965 14.512 7 HB3 SER 2 2HB SER 2 -9.251 -11.909 13.945 8 HG SER 2 HG SER 2 -8.457 -11.067 15.747 9 H SER 3 H SER 3 -8.214 -11.569 11.362 10 HA SER 3 HA SER 3 -9.554 -11.734 9.038 11 HB2 SER 3 1HB SER 3 -8.624 -13.936 8.694 12 HB3 SER 3 2HB SER 3 -7.459 -12.985 9.614 13 HG SER 3 HG SER 3 -8.608 -15.299 10.277 14 H GLY 4 H GLY 4 -11.624 -12.015 8.561 15 HA2 GLY 4 1HA GLY 4 -13.380 -13.430 10.388 16 HA3 GLY 4 2HA GLY 4 -13.864 -12.541 8.952 17 H SER 5 H SER 5 -14.648 -15.220 9.886 18 HA SER 5 HA SER 5 -13.474 -17.331 8.592 19 HB2 SER 5 1HB SER 5 -16.334 -16.719 9.264 20 HB3 SER 5 2HB SER 5 -15.937 -18.182 8.363 21 HG SER 5 HG SER 5 -14.488 -17.605 10.685 22 H SER 6 H SER 6 -16.202 -15.452 7.260 23 HA SER 6 HA SER 6 -15.640 -16.478 4.605 24 HB2 SER 6 1HB SER 6 -17.980 -16.052 5.673 25 HB3 SER 6 2HB SER 6 -17.702 -14.375 5.202 26 HG SER 6 HG SER 6 -18.768 -16.012 3.671 27 H GLY 7 H GLY 7 -14.178 -15.544 3.347 28 HA2 GLY 7 1HA GLY 7 -14.205 -12.891 2.542 29 HA3 GLY 7 2HA GLY 7 -13.073 -12.980 3.882 30 HA PRO 8 HA PRO 8 -11.109 -14.217 -0.259 31 HB2 PRO 8 1HB PRO 8 -9.562 -12.013 -0.606 32 HB3 PRO 8 2HB PRO 8 -11.203 -12.144 -1.248 33 HG2 PRO 8 1HG PRO 8 -10.244 -10.772 1.234 34 HG3 PRO 8 2HG PRO 8 -11.422 -10.214 0.031 35 HD2 PRO 8 1HD PRO 8 -12.161 -11.287 2.406 36 HD3 PRO 8 2HD PRO 8 -13.127 -11.481 0.928 37 H ASP 9 H ASP 9 -8.691 -14.339 -0.650 38 HA ASP 9 HA ASP 9 -7.423 -15.220 1.789 39 HB2 ASP 9 1HB ASP 9 -5.573 -15.913 0.247 40 HB3 ASP 9 2HB ASP 9 -7.141 -16.608 -0.153 41 H GLN 10 H GLN 10 -5.254 -14.568 2.407 42 HA GLN 10 HA GLN 10 -4.942 -11.903 2.906 43 HB2 GLN 10 1HB GLN 10 -3.611 -13.827 3.872 44 HB3 GLN 10 2HB GLN 10 -2.608 -13.754 2.430 45 HG2 GLN 10 1HG GLN 10 -2.147 -11.352 3.001 46 HG3 GLN 10 2HG GLN 10 -2.944 -11.648 4.546 47 HE21 GLN 10 1HE2 GLN 10 -0.124 -10.992 3.762 48 HE22 GLN 10 2HE2 GLN 10 0.836 -12.191 4.551 49 H CYS 11 H CYS 11 -3.801 -10.188 1.999 50 HA CYS 11 HA CYS 11 -3.604 -10.284 -0.894 51 HB2 CYS 11 1HB CYS 11 -3.450 -8.060 1.132 52 HB3 CYS 11 2HB CYS 11 -3.062 -7.797 -0.563 53 HG CYS 11 HG CYS 11 -5.988 -9.322 -0.202 54 H LYS 12 H LYS 12 -1.693 -8.878 -1.797 55 HA LYS 12 HA LYS 12 0.775 -9.990 -0.642 56 HB2 LYS 12 1HB LYS 12 0.129 -9.186 -3.483 57 HB3 LYS 12 2HB LYS 12 1.725 -9.685 -2.937 58 HG2 LYS 12 1HG LYS 12 -0.559 -11.506 -2.410 59 HG3 LYS 12 2HG LYS 12 0.046 -11.375 -4.064 60 HD2 LYS 12 1HD LYS 12 2.006 -11.760 -1.854 61 HD3 LYS 12 2HD LYS 12 1.040 -13.142 -2.376 62 HE2 LYS 12 1HE LYS 12 2.827 -13.364 -3.782 63 HE3 LYS 12 2HE LYS 12 1.798 -12.325 -4.767 64 HZ1 LYS 12 1HZ LYS 12 3.083 -10.468 -4.291 65 HZ2 LYS 12 2HZ LYS 12 4.239 -11.686 -4.490 66 HZ3 LYS 12 3HZ LYS 12 3.809 -11.176 -2.936 67 HA PRO 13 HA PRO 13 2.337 -5.972 0.197 68 HB2 PRO 13 1HB PRO 13 4.994 -6.358 -0.202 69 HB3 PRO 13 2HB PRO 13 4.128 -7.010 1.194 70 HG2 PRO 13 1HG PRO 13 4.920 -8.374 -1.351 71 HG3 PRO 13 2HG PRO 13 5.018 -8.971 0.317 72 HD2 PRO 13 1HD PRO 13 3.031 -9.692 -1.377 73 HD3 PRO 13 2HD PRO 13 2.786 -9.541 0.376 74 HA PRO 14 HA PRO 14 2.483 -4.038 -3.813 75 HB2 PRO 14 1HB PRO 14 2.690 -1.488 -2.907 76 HB3 PRO 14 2HB PRO 14 1.171 -2.393 -2.892 77 HG2 PRO 14 1HG PRO 14 3.111 -1.912 -0.663 78 HG3 PRO 14 2HG PRO 14 1.339 -1.846 -0.638 79 HD2 PRO 14 1HD PRO 14 2.730 -3.981 0.277 80 HD3 PRO 14 2HD PRO 14 1.131 -4.136 -0.477 81 H GLN 15 H GLN 15 3.974 -2.822 -5.089 82 HA GLN 15 HA GLN 15 6.725 -3.010 -4.095 83 HB2 GLN 15 1HB GLN 15 5.989 -4.148 -6.254 84 HB3 GLN 15 2HB GLN 15 5.873 -2.536 -6.947 85 HG2 GLN 15 1HG GLN 15 8.141 -2.216 -6.938 86 HG3 GLN 15 2HG GLN 15 8.405 -3.347 -5.612 87 HE21 GLN 15 1HE2 GLN 15 9.703 -3.149 -8.230 88 HE22 GLN 15 2HE2 GLN 15 9.491 -4.690 -8.980 89 H VAL 16 H VAL 16 7.592 -1.209 -3.327 90 HA VAL 16 HA VAL 16 6.524 1.385 -4.052 91 HB VAL 16 HB VAL 16 8.366 2.188 -2.451 92 HG11 VAL 16 1HG1 VAL 16 5.780 1.168 -2.035 93 HG12 VAL 16 2HG1 VAL 16 6.769 0.579 -0.699 94 HG13 VAL 16 3HG1 VAL 16 6.668 2.309 -1.026 95 HG21 VAL 16 1HG2 VAL 16 9.659 0.724 -1.321 96 HG22 VAL 16 2HG2 VAL 16 8.392 -0.499 -1.240 97 HG23 VAL 16 3HG2 VAL 16 9.345 -0.314 -2.713 98 H THR 17 H THR 17 7.439 2.845 -5.374 99 HA THR 17 HA THR 17 10.111 2.236 -6.461 100 HB THR 17 HB THR 17 7.745 3.358 -7.975 101 HG1 THR 17 1HG THR 17 7.407 1.267 -8.182 102 HG21 THR 17 1HG2 THR 17 10.647 3.205 -8.582 103 HG22 THR 17 2HG2 THR 17 9.446 4.396 -9.085 104 HG23 THR 17 3HG2 THR 17 9.523 2.828 -9.888 105 H CYS 18 H CYS 18 11.376 3.701 -5.467 106 HA CYS 18 HA CYS 18 10.593 6.270 -4.652 107 HB2 CYS 18 1HB CYS 18 13.016 6.711 -4.402 108 HB3 CYS 18 2HB CYS 18 12.537 5.174 -3.692 109 HG CYS 18 HG CYS 18 15.115 5.261 -5.128 110 H ARG 19 H ARG 19 9.842 7.759 -6.017 111 HA ARG 19 HA ARG 19 10.850 7.968 -8.720 112 HB2 ARG 19 1HB ARG 19 8.760 9.542 -7.208 113 HB3 ARG 19 2HB ARG 19 9.181 9.832 -8.891 114 HG2 ARG 19 1HG ARG 19 8.389 7.084 -8.076 115 HG3 ARG 19 2HG ARG 19 7.141 8.321 -8.237 116 HD2 ARG 19 1HD ARG 19 7.152 7.524 -10.373 117 HD3 ARG 19 2HD ARG 19 8.389 8.771 -10.524 118 HE ARG 19 HE ARG 19 9.378 6.150 -9.814 119 HH11 ARG 19 1HH1 ARG 19 8.621 8.373 -12.385 120 HH12 ARG 19 2HH1 ARG 19 9.674 7.612 -13.529 121 HH21 ARG 19 1HH2 ARG 19 10.769 5.139 -11.313 122 HH22 ARG 19 2HH2 ARG 19 10.896 5.772 -12.919 123 H SER 20 H SER 20 11.155 9.666 -5.679 124 HA SER 20 HA SER 20 13.520 10.997 -6.505 125 HB2 SER 20 1HB SER 20 11.483 12.327 -7.535 126 HB3 SER 20 2HB SER 20 11.358 12.975 -5.899 127 HG SER 20 HG SER 20 12.739 14.324 -6.907 128 H ALA 21 H ALA 21 13.982 12.864 -4.779 129 HA ALA 21 HA ALA 21 14.306 11.630 -2.317 130 HB1 ALA 21 1HB ALA 21 14.847 13.879 -1.449 131 HB2 ALA 21 2HB ALA 21 15.661 13.514 -2.971 132 HB3 ALA 21 3HB ALA 21 14.253 14.575 -2.957 133 H THR 22 H THR 22 11.730 13.765 -3.439 134 HA THR 22 HA THR 22 10.250 13.162 -0.961 135 HB THR 22 HB THR 22 9.094 15.297 -1.175 136 HG1 THR 22 1HG THR 22 10.549 15.405 -3.579 137 HG21 THR 22 1HG2 THR 22 10.775 16.619 -0.309 138 HG22 THR 22 2HG2 THR 22 11.972 16.041 -1.468 139 HG23 THR 22 3HG2 THR 22 11.481 15.013 -0.122 140 H CYS 23 H CYS 23 10.286 11.633 -3.443 141 HA CYS 23 HA CYS 23 7.412 11.705 -3.984 142 HB2 CYS 23 1HB CYS 23 9.527 11.577 -6.145 143 HB3 CYS 23 2HB CYS 23 7.794 11.407 -6.401 144 HG CYS 23 HG CYS 23 7.243 14.043 -5.502 145 H ALA 24 H ALA 24 6.494 9.718 -4.435 146 HA ALA 24 HA ALA 24 8.126 7.381 -4.859 147 HB1 ALA 24 1HB ALA 24 6.555 7.574 -2.292 148 HB2 ALA 24 2HB ALA 24 7.519 6.205 -2.846 149 HB3 ALA 24 3HB ALA 24 8.308 7.721 -2.415 150 H GLN 25 H GLN 25 6.872 5.480 -5.313 151 HA GLN 25 HA GLN 25 4.003 5.948 -5.721 152 HB2 GLN 25 1HB GLN 25 5.262 6.351 -7.845 153 HB3 GLN 25 2HB GLN 25 5.809 4.681 -7.786 154 HG2 GLN 25 1HG GLN 25 3.289 4.114 -7.680 155 HG3 GLN 25 2HG GLN 25 3.069 5.753 -8.290 156 HE21 GLN 25 1HE2 GLN 25 2.076 4.374 -10.037 157 HE22 GLN 25 2HE2 GLN 25 3.114 3.892 -11.331 158 H VAL 26 H VAL 26 2.694 4.145 -5.551 159 HA VAL 26 HA VAL 26 4.040 1.682 -4.644 160 HB VAL 26 HB VAL 26 1.285 2.552 -3.785 161 HG11 VAL 26 1HG1 VAL 26 3.227 0.483 -2.767 162 HG12 VAL 26 2HG1 VAL 26 1.737 0.941 -1.938 163 HG13 VAL 26 3HG1 VAL 26 1.666 0.199 -3.537 164 HG21 VAL 26 1HG2 VAL 26 2.217 3.399 -1.745 165 HG22 VAL 26 2HG2 VAL 26 3.841 2.907 -2.225 166 HG23 VAL 26 3HG2 VAL 26 3.020 4.204 -3.093 167 H ASN 27 H ASN 27 2.923 -0.323 -5.073 168 HA ASN 27 HA ASN 27 0.784 -0.295 -7.029 169 HB2 ASN 27 1HB ASN 27 3.592 -1.108 -7.672 170 HB3 ASN 27 2HB ASN 27 2.256 -1.971 -8.428 171 HD21 ASN 27 1HD2 ASN 27 3.702 1.198 -7.977 172 HD22 ASN 27 2HD2 ASN 27 3.069 1.896 -9.425 173 H TRP 28 H TRP 28 -0.615 -1.749 -6.316 174 HA TRP 28 HA TRP 28 0.425 -4.196 -5.044 175 HB2 TRP 28 1HB TRP 28 -1.683 -4.251 -3.736 176 HB3 TRP 28 2HB TRP 28 -0.714 -2.817 -3.405 177 HD1 TRP 28 HD TRP 28 -4.067 -3.903 -4.797 178 HE1 TRP 28 1HE TRP 28 -5.517 -1.821 -5.228 179 HE3 TRP 28 3HE TRP 28 -0.527 -0.286 -4.073 180 HZ2 TRP 28 2HZ TRP 28 -5.202 0.983 -5.259 181 HZ3 TRP 28 3HZ TRP 28 -1.183 2.072 -4.323 182 HH2 TRP 28 HH TRP 28 -3.472 2.691 -4.905 183 H GLU 29 H GLU 29 -1.591 -5.857 -4.983 184 HA GLU 29 HA GLU 29 -2.991 -5.888 -7.532 185 HB2 GLU 29 1HB GLU 29 -2.140 -8.011 -8.244 186 HB3 GLU 29 2HB GLU 29 -0.767 -6.957 -7.937 187 HG2 GLU 29 1HG GLU 29 -0.775 -8.063 -5.590 188 HG3 GLU 29 2HG GLU 29 -1.722 -9.318 -6.385 189 H VAL 30 H VAL 30 -4.554 -7.695 -7.666 190 HA VAL 30 HA VAL 30 -5.781 -8.117 -5.060 191 HB VAL 30 HB VAL 30 -6.882 -8.952 -7.741 192 HG11 VAL 30 1HG1 VAL 30 -8.984 -9.038 -6.659 193 HG12 VAL 30 2HG1 VAL 30 -7.851 -9.882 -5.601 194 HG13 VAL 30 3HG1 VAL 30 -8.357 -8.236 -5.219 195 HG21 VAL 30 1HG2 VAL 30 -6.525 -6.642 -8.004 196 HG22 VAL 30 2HG2 VAL 30 -8.217 -6.793 -7.528 197 HG23 VAL 30 3HG2 VAL 30 -7.010 -6.294 -6.344 198 HA PRO 31 HA PRO 31 -4.263 -12.252 -4.697 199 HB2 PRO 31 1HB PRO 31 -5.955 -13.086 -2.745 200 HB3 PRO 31 2HB PRO 31 -4.594 -12.001 -2.437 201 HG2 PRO 31 1HG PRO 31 -7.492 -11.346 -2.802 202 HG3 PRO 31 2HG PRO 31 -6.340 -10.702 -1.618 203 HD2 PRO 31 1HD PRO 31 -7.034 -9.351 -3.858 204 HD3 PRO 31 2HD PRO 31 -5.420 -9.224 -3.128 205 H LEU 32 H LEU 32 -5.737 -14.450 -4.047 206 HA LEU 32 HA LEU 32 -7.331 -14.828 -6.469 207 HB2 LEU 32 1HB LEU 32 -5.386 -16.346 -5.683 208 HB3 LEU 32 2HB LEU 32 -6.569 -17.002 -4.555 209 HG LEU 32 HG LEU 32 -8.006 -17.543 -6.556 210 HD11 LEU 32 1HD1 LEU 32 -7.348 -17.144 -8.660 211 HD12 LEU 32 2HD1 LEU 32 -5.666 -17.548 -8.319 212 HD13 LEU 32 3HD1 LEU 32 -6.285 -15.944 -7.924 213 HD21 LEU 32 1HD2 LEU 32 -7.183 -19.546 -6.055 214 HD22 LEU 32 2HD2 LEU 32 -5.641 -18.851 -5.555 215 HD23 LEU 32 3HD2 LEU 32 -5.916 -19.259 -7.249 216 H SER 33 H SER 33 -9.248 -13.806 -5.806 217 HA SER 33 HA SER 33 -10.620 -14.262 -3.421 218 HB2 SER 33 1HB SER 33 -12.673 -13.598 -4.809 219 HB3 SER 33 2HB SER 33 -11.348 -12.437 -4.738 220 HG SER 33 HG SER 33 -10.925 -12.768 -6.797 221 H ASN 34 H ASN 34 -10.969 -16.283 -2.707 222 HA ASN 34 HA ASN 34 -12.043 -18.283 -4.557 223 HB2 ASN 34 1HB ASN 34 -11.250 -18.828 -1.708 224 HB3 ASN 34 2HB ASN 34 -11.298 -19.942 -3.072 225 HD21 ASN 34 1HD2 ASN 34 -9.488 -17.516 -1.415 226 HD22 ASN 34 2HD2 ASN 34 -8.017 -17.708 -2.301 227 H GLY 35 H GLY 35 -13.751 -16.170 -3.753 228 HA2 GLY 35 1HA GLY 35 -16.101 -17.450 -3.172 229 HA3 GLY 35 2HA GLY 35 -15.435 -17.034 -1.600 230 H THR 36 H THR 36 -14.305 -14.579 -2.095 231 HA THR 36 HA THR 36 -16.561 -12.939 -3.038 232 HB THR 36 HB THR 36 -15.947 -11.304 -1.192 233 HG1 THR 36 1HG THR 36 -14.335 -13.502 -0.529 234 HG21 THR 36 1HG2 THR 36 -17.847 -13.132 -1.250 235 HG22 THR 36 2HG2 THR 36 -17.533 -12.197 0.212 236 HG23 THR 36 3HG2 THR 36 -16.900 -13.837 0.060 237 H ASP 37 H ASP 37 -16.031 -11.320 -4.373 238 HA ASP 37 HA ASP 37 -13.230 -10.966 -5.059 239 HB2 ASP 37 1HB ASP 37 -15.839 -10.276 -6.322 240 HB3 ASP 37 2HB ASP 37 -14.440 -9.294 -6.743 241 H VAL 38 H VAL 38 -12.020 -9.199 -4.650 242 HA VAL 38 HA VAL 38 -12.669 -7.468 -2.563 243 HB VAL 38 HB VAL 38 -10.669 -6.887 -4.748 244 HG11 VAL 38 1HG1 VAL 38 -10.922 -5.979 -1.886 245 HG12 VAL 38 2HG1 VAL 38 -9.480 -5.732 -2.874 246 HG13 VAL 38 3HG1 VAL 38 -11.009 -4.986 -3.342 247 HG21 VAL 38 1HG2 VAL 38 -9.130 -7.952 -2.888 248 HG22 VAL 38 2HG2 VAL 38 -10.612 -8.818 -2.484 249 HG23 VAL 38 3HG2 VAL 38 -9.925 -8.952 -4.102 250 H THR 39 H THR 39 -13.746 -5.600 -2.430 251 HA THR 39 HA THR 39 -14.719 -4.399 -4.936 252 HB THR 39 HB THR 39 -16.447 -3.313 -3.392 253 HG1 THR 39 1HG THR 39 -15.908 -5.465 -1.650 254 HG21 THR 39 1HG2 THR 39 -16.408 -6.300 -3.821 255 HG22 THR 39 2HG2 THR 39 -17.095 -5.077 -4.888 256 HG23 THR 39 3HG2 THR 39 -17.832 -5.392 -3.317 257 H GLU 40 H GLU 40 -12.940 -3.812 -2.018 258 HA GLU 40 HA GLU 40 -12.308 -1.122 -2.984 259 HB2 GLU 40 1HB GLU 40 -13.556 -1.827 -0.378 260 HB3 GLU 40 2HB GLU 40 -12.311 -0.586 -0.366 261 HG2 GLU 40 1HG GLU 40 -14.386 0.520 -0.569 262 HG3 GLU 40 2HG GLU 40 -13.610 0.601 -2.149 263 H TYR 41 H TYR 41 -10.419 -0.193 -1.695 264 HA TYR 41 HA TYR 41 -8.623 -2.212 -0.611 265 HB2 TYR 41 1HB TYR 41 -7.808 -0.476 -2.950 266 HB3 TYR 41 2HB TYR 41 -6.799 -1.655 -2.120 267 HD1 TYR 41 1HD TYR 41 -9.992 -1.408 -4.035 268 HD2 TYR 41 2HD TYR 41 -6.652 -3.815 -2.959 269 HE1 TYR 41 1HE TYR 41 -10.746 -3.146 -5.604 270 HE2 TYR 41 2HE TYR 41 -7.395 -5.559 -4.526 271 HH TYR 41 HH TYR 41 -9.557 -5.074 -6.927 272 H ARG 42 H ARG 42 -7.945 -1.382 1.241 273 HA ARG 42 HA ARG 42 -7.680 1.524 1.504 274 HB2 ARG 42 1HB ARG 42 -8.160 -0.718 3.408 275 HB3 ARG 42 2HB ARG 42 -7.317 0.704 4.009 276 HG2 ARG 42 1HG ARG 42 -9.165 2.117 3.451 277 HG3 ARG 42 2HG ARG 42 -9.986 0.793 2.624 278 HD2 ARG 42 1HD ARG 42 -9.985 -0.426 4.834 279 HD3 ARG 42 2HD ARG 42 -9.443 1.082 5.570 280 HE ARG 42 HE ARG 42 -11.785 1.476 4.008 281 HH11 ARG 42 1HH1 ARG 42 -10.658 0.247 7.065 282 HH12 ARG 42 2HH1 ARG 42 -12.156 0.544 7.884 283 HH21 ARG 42 1HH2 ARG 42 -13.761 1.871 5.076 284 HH22 ARG 42 2HH2 ARG 42 -13.920 1.467 6.751 285 H LEU 43 H LEU 43 -5.724 2.305 1.097 286 HA LEU 43 HA LEU 43 -3.373 0.684 1.796 287 HB2 LEU 43 1HB LEU 43 -3.506 1.276 -0.547 288 HB3 LEU 43 2HB LEU 43 -3.674 2.981 -0.132 289 HG LEU 43 HG LEU 43 -1.357 2.834 0.872 290 HD11 LEU 43 1HD1 LEU 43 -0.128 0.866 -0.479 291 HD12 LEU 43 2HD1 LEU 43 -1.676 0.088 -0.154 292 HD13 LEU 43 3HD1 LEU 43 -0.700 0.700 1.181 293 HD21 LEU 43 1HD2 LEU 43 -0.291 2.704 -1.485 294 HD22 LEU 43 2HD2 LEU 43 -1.460 3.979 -1.139 295 HD23 LEU 43 3HD2 LEU 43 -1.957 2.549 -2.046 296 H GLU 44 H GLU 44 -2.310 1.244 3.568 297 HA GLU 44 HA GLU 44 -2.638 3.956 4.629 298 HB2 GLU 44 1HB GLU 44 -1.586 1.441 5.935 299 HB3 GLU 44 2HB GLU 44 -1.715 3.004 6.728 300 HG2 GLU 44 1HG GLU 44 -4.115 2.967 6.503 301 HG3 GLU 44 2HG GLU 44 -4.035 1.464 5.586 302 H TRP 45 H TRP 45 -0.841 5.179 5.331 303 HA TRP 45 HA TRP 45 1.821 4.268 4.596 304 HB2 TRP 45 1HB TRP 45 0.956 5.294 2.529 305 HB3 TRP 45 2HB TRP 45 0.621 6.781 3.412 306 HD1 TRP 45 HD TRP 45 2.935 7.955 4.546 307 HE1 TRP 45 1HE TRP 45 5.257 8.200 3.462 308 HE3 TRP 45 3HE TRP 45 2.534 4.346 0.947 309 HZ2 TRP 45 2HZ TRP 45 6.723 7.020 1.359 310 HZ3 TRP 45 3HZ TRP 45 4.441 3.968 -0.561 311 HH2 TRP 45 HH TRP 45 6.492 5.279 -0.358 312 H GLY 46 H GLY 46 3.060 4.711 6.290 313 HA2 GLY 46 1HA GLY 46 2.915 7.353 7.522 314 HA3 GLY 46 2HA GLY 46 2.584 5.979 8.567 315 H GLY 47 H GLY 47 4.827 8.062 8.313 316 HA2 GLY 47 1HA GLY 47 7.235 7.172 7.519 317 HA3 GLY 47 2HA GLY 47 7.021 7.980 9.065 318 H VAL 48 H VAL 48 5.721 6.157 10.579 319 HA VAL 48 HA VAL 48 7.634 3.918 10.672 320 HB VAL 48 HB VAL 48 6.232 5.421 12.865 321 HG11 VAL 48 1HG1 VAL 48 7.329 2.634 12.924 322 HG12 VAL 48 2HG1 VAL 48 7.334 3.642 14.371 323 HG13 VAL 48 3HG1 VAL 48 5.810 3.245 13.576 324 HG21 VAL 48 1HG2 VAL 48 8.240 6.428 12.762 325 HG22 VAL 48 2HG2 VAL 48 8.797 5.009 13.647 326 HG23 VAL 48 3HG2 VAL 48 8.985 5.085 11.895 327 H GLU 49 H GLU 49 6.841 1.977 10.234 328 HA GLU 49 HA GLU 49 4.279 1.355 9.531 329 HB2 GLU 49 1HB GLU 49 4.840 -0.967 9.825 330 HB3 GLU 49 2HB GLU 49 6.261 -0.119 9.232 331 HG2 GLU 49 1HG GLU 49 7.296 -0.171 11.358 332 HG3 GLU 49 2HG GLU 49 5.809 -0.704 12.142 333 H GLY 50 H GLY 50 5.620 1.532 12.762 334 HA2 GLY 50 1HA GLY 50 3.686 0.170 14.218 335 HA3 GLY 50 2HA GLY 50 4.607 1.539 14.822 336 H SER 51 H SER 51 3.603 3.450 12.932 337 HA SER 51 HA SER 51 0.751 3.564 13.630 338 HB2 SER 51 1HB SER 51 2.036 4.941 15.243 339 HB3 SER 51 2HB SER 51 2.685 5.878 13.898 340 HG SER 51 HG SER 51 0.732 6.753 13.541 341 H MET 52 H MET 52 -0.235 3.468 11.716 342 HA MET 52 HA MET 52 0.499 5.446 9.688 343 HB2 MET 52 1HB MET 52 0.002 2.540 9.020 344 HB3 MET 52 2HB MET 52 0.409 3.825 7.890 345 HG2 MET 52 1HG MET 52 2.539 4.048 9.401 346 HG3 MET 52 2HG MET 52 2.138 2.389 9.836 347 HE1 MET 52 1HE MET 52 2.363 0.232 7.685 348 HE2 MET 52 2HE MET 52 0.879 1.184 7.674 349 HE3 MET 52 3HE MET 52 1.776 0.931 6.176 350 H GLN 53 H GLN 53 -1.202 5.994 8.247 351 HA GLN 53 HA GLN 53 -3.862 5.029 9.054 352 HB2 GLN 53 1HB GLN 53 -4.757 7.264 8.892 353 HB3 GLN 53 2HB GLN 53 -3.397 7.274 10.007 354 HG2 GLN 53 1HG GLN 53 -3.095 8.030 7.121 355 HG3 GLN 53 2HG GLN 53 -3.573 9.194 8.357 356 HE21 GLN 53 1HE2 GLN 53 -1.049 8.301 6.629 357 HE22 GLN 53 2HE2 GLN 53 0.240 8.586 7.742 358 H ILE 54 H ILE 54 -5.561 5.650 7.387 359 HA ILE 54 HA ILE 54 -4.870 4.522 4.906 360 HB ILE 54 HB ILE 54 -7.276 6.251 5.489 361 HG12 ILE 54 1HG1 ILE 54 -7.003 4.389 7.117 362 HG13 ILE 54 2HG1 ILE 54 -8.437 4.217 6.111 363 HG21 ILE 54 1HG2 ILE 54 -8.136 4.416 3.739 364 HG22 ILE 54 2HG2 ILE 54 -7.462 5.970 3.252 365 HG23 ILE 54 3HG2 ILE 54 -6.449 4.527 3.237 366 HD11 ILE 54 1HD1 ILE 54 -7.738 2.136 5.771 367 HD12 ILE 54 2HD1 ILE 54 -6.529 2.843 4.699 368 HD13 ILE 54 3HD1 ILE 54 -6.120 2.488 6.376 369 H CYS 55 H CYS 55 -3.583 5.425 3.445 370 HA CYS 55 HA CYS 55 -3.417 8.316 3.203 371 HB2 CYS 55 1HB CYS 55 -1.440 6.629 3.140 372 HB3 CYS 55 2HB CYS 55 -1.926 6.367 1.469 373 HG CYS 55 HG CYS 55 -0.302 8.949 2.841 374 H TYR 56 H TYR 56 -4.306 5.528 1.203 375 HA TYR 56 HA TYR 56 -5.889 7.329 -0.483 376 HB2 TYR 56 1HB TYR 56 -3.990 7.092 -1.847 377 HB3 TYR 56 2HB TYR 56 -3.778 5.399 -1.416 378 HD1 TYR 56 2HD TYR 56 -5.816 3.843 -2.110 379 HD2 TYR 56 1HD TYR 56 -4.887 7.581 -3.917 380 HE1 TYR 56 2HE TYR 56 -7.054 3.169 -4.126 381 HE2 TYR 56 1HE TYR 56 -6.123 6.918 -5.938 382 HH TYR 56 HH TYR 56 -8.027 5.287 -6.479 383 H CYS 57 H CYS 57 -7.730 6.414 -1.382 384 HA CYS 57 HA CYS 57 -8.298 3.613 -0.726 385 HB2 CYS 57 1HB CYS 57 -10.247 4.051 0.428 386 HB3 CYS 57 2HB CYS 57 -9.259 5.418 0.931 387 HG CYS 57 HG CYS 57 -11.205 7.020 0.425 388 H GLY 58 H GLY 58 -10.013 2.667 -1.987 389 HA2 GLY 58 1HA GLY 58 -11.709 3.267 -3.786 390 HA3 GLY 58 2HA GLY 58 -10.345 4.045 -4.575 391 HA PRO 59 HA PRO 59 -10.790 -0.502 -5.822 392 HB2 PRO 59 1HB PRO 59 -11.552 -0.086 -8.395 393 HB3 PRO 59 2HB PRO 59 -12.706 -0.244 -7.065 394 HG2 PRO 59 1HG PRO 59 -11.669 2.233 -8.389 395 HG3 PRO 59 2HG PRO 59 -13.326 1.837 -7.894 396 HD2 PRO 59 1HD PRO 59 -11.713 3.444 -6.430 397 HD3 PRO 59 2HD PRO 59 -12.934 2.389 -5.691 398 H GLY 60 H GLY 60 -9.173 2.336 -6.811 399 HA2 GLY 60 1HA GLY 60 -7.642 1.641 -8.970 400 HA3 GLY 60 2HA GLY 60 -7.047 2.629 -7.644 401 H LEU 61 H LEU 61 -5.393 0.940 -9.124 402 HA LEU 61 HA LEU 61 -4.765 -1.155 -7.150 403 HB2 LEU 61 1HB LEU 61 -4.277 -1.130 -10.123 404 HB3 LEU 61 2HB LEU 61 -3.644 -2.351 -9.021 405 HG LEU 61 HG LEU 61 -6.588 -1.836 -9.408 406 HD11 LEU 61 1HD1 LEU 61 -5.754 -4.298 -10.547 407 HD12 LEU 61 2HD1 LEU 61 -4.771 -3.008 -11.237 408 HD13 LEU 61 3HD1 LEU 61 -6.530 -2.924 -11.334 409 HD21 LEU 61 1HD2 LEU 61 -5.183 -4.271 -8.335 410 HD22 LEU 61 2HD2 LEU 61 -6.905 -3.892 -8.275 411 HD23 LEU 61 3HD2 LEU 61 -5.762 -2.959 -7.308 412 H SER 62 H SER 62 -3.719 1.666 -8.736 413 HA SER 62 HA SER 62 -1.097 1.420 -7.451 414 HB2 SER 62 1HB SER 62 -1.238 2.665 -10.173 415 HB3 SER 62 2HB SER 62 0.138 1.929 -9.351 416 HG SER 62 HG SER 62 -1.856 0.759 -10.876 417 H TYR 63 H TYR 63 -0.416 3.242 -6.472 418 HA TYR 63 HA TYR 63 -1.851 5.745 -7.049 419 HB2 TYR 63 1HB TYR 63 -2.815 4.880 -5.016 420 HB3 TYR 63 2HB TYR 63 -1.222 4.582 -4.331 421 HD1 TYR 63 1HD TYR 63 -2.700 7.562 -6.036 422 HD2 TYR 63 2HD TYR 63 -0.923 5.973 -2.511 423 HE1 TYR 63 1HE TYR 63 -2.723 9.803 -5.021 424 HE2 TYR 63 2HE TYR 63 -0.943 8.209 -1.486 425 HH TYR 63 HH TYR 63 -2.683 10.534 -2.175 426 H GLU 64 H GLU 64 -0.685 7.668 -6.687 427 HA GLU 64 HA GLU 64 2.229 7.279 -6.485 428 HB2 GLU 64 1HB GLU 64 1.324 8.060 -8.710 429 HB3 GLU 64 2HB GLU 64 0.825 9.542 -7.906 430 HG2 GLU 64 1HG GLU 64 3.002 10.248 -7.568 431 HG3 GLU 64 2HG GLU 64 3.664 8.625 -7.753 432 H ILE 65 H ILE 65 2.921 7.891 -4.547 433 HA ILE 65 HA ILE 65 1.554 10.032 -3.112 434 HB ILE 65 HB ILE 65 3.623 8.008 -2.297 435 HG12 ILE 65 1HG1 ILE 65 0.967 8.640 -1.019 436 HG13 ILE 65 2HG1 ILE 65 1.105 7.527 -2.375 437 HG21 ILE 65 1HG2 ILE 65 3.519 9.061 -0.028 438 HG22 ILE 65 2HG2 ILE 65 4.359 10.018 -1.248 439 HG23 ILE 65 3HG2 ILE 65 2.714 10.442 -0.773 440 HD11 ILE 65 1HD1 ILE 65 3.001 6.892 -0.297 441 HD12 ILE 65 2HD1 ILE 65 1.346 6.917 0.311 442 HD13 ILE 65 3HD1 ILE 65 1.769 5.882 -1.052 443 H LYS 66 H LYS 66 2.584 11.889 -2.353 444 HA LYS 66 HA LYS 66 5.309 12.426 -3.253 445 HB2 LYS 66 1HB LYS 66 2.873 13.968 -4.114 446 HB3 LYS 66 2HB LYS 66 4.463 14.718 -4.073 447 HG2 LYS 66 1HG LYS 66 5.138 12.624 -5.501 448 HG3 LYS 66 2HG LYS 66 3.412 12.594 -5.868 449 HD2 LYS 66 1HD LYS 66 4.962 15.143 -6.113 450 HD3 LYS 66 2HD LYS 66 5.026 13.937 -7.401 451 HE2 LYS 66 1HE LYS 66 2.426 14.957 -6.292 452 HE3 LYS 66 2HE LYS 66 3.272 15.782 -7.600 453 HZ1 LYS 66 1HZ LYS 66 2.438 12.935 -7.684 454 HZ2 LYS 66 2HZ LYS 66 3.106 13.831 -8.953 455 HZ3 LYS 66 3HZ LYS 66 1.561 14.205 -8.374 456 H GLY 67 H GLY 67 5.892 14.792 -2.502 457 HA2 GLY 67 1HA GLY 67 6.153 16.280 -0.766 458 HA3 GLY 67 2HA GLY 67 4.553 15.814 -0.209 459 H LEU 68 H LEU 68 7.523 13.899 -0.592 460 HA LEU 68 HA LEU 68 7.247 13.091 2.219 461 HB2 LEU 68 1HB LEU 68 8.898 11.755 0.089 462 HB3 LEU 68 2HB LEU 68 8.467 11.116 1.673 463 HG LEU 68 HG LEU 68 6.452 11.659 -0.500 464 HD11 LEU 68 1HD1 LEU 68 7.940 10.003 -1.364 465 HD12 LEU 68 2HD1 LEU 68 6.477 9.187 -0.817 466 HD13 LEU 68 3HD1 LEU 68 7.939 9.126 0.167 467 HD21 LEU 68 1HD2 LEU 68 6.314 9.995 2.012 468 HD22 LEU 68 2HD2 LEU 68 5.019 10.223 0.836 469 HD23 LEU 68 3HD2 LEU 68 5.589 11.589 1.797 470 H SER 69 H SER 69 9.539 12.351 3.095 471 HA SER 69 HA SER 69 11.369 14.616 2.643 472 HB2 SER 69 1HB SER 69 10.726 13.077 5.160 473 HB3 SER 69 2HB SER 69 12.140 14.122 5.023 474 HG SER 69 HG SER 69 10.558 15.398 5.836 475 HA PRO 70 HA PRO 70 14.450 11.745 1.371 476 HB2 PRO 70 1HB PRO 70 16.667 13.213 1.918 477 HB3 PRO 70 2HB PRO 70 15.595 13.563 0.557 478 HG2 PRO 70 1HG PRO 70 15.717 14.858 3.254 479 HG3 PRO 70 2HG PRO 70 15.533 15.610 1.659 480 HD2 PRO 70 1HD PRO 70 13.440 15.201 3.328 481 HD3 PRO 70 2HD PRO 70 13.278 15.144 1.561 482 H ALA 71 H ALA 71 16.078 10.355 2.173 483 HA ALA 71 HA ALA 71 16.867 8.902 3.753 484 HB1 ALA 71 1HB ALA 71 17.533 11.125 5.586 485 HB2 ALA 71 2HB ALA 71 18.544 9.817 4.971 486 HB3 ALA 71 3HB ALA 71 18.193 11.214 3.952 487 H THR 72 H THR 72 14.238 8.855 3.995 488 HA THR 72 HA THR 72 13.822 8.740 6.897 489 HB THR 72 HB THR 72 11.790 9.867 4.960 490 HG1 THR 72 1HG THR 72 13.580 11.044 6.803 491 HG21 THR 72 1HG2 THR 72 10.351 9.134 6.526 492 HG22 THR 72 2HG2 THR 72 10.952 10.486 7.487 493 HG23 THR 72 3HG2 THR 72 11.628 8.873 7.713 494 H THR 73 H THR 73 12.890 6.903 7.568 495 HA THR 73 HA THR 73 12.334 4.838 5.648 496 HB THR 73 HB THR 73 11.699 4.582 8.570 497 HG1 THR 73 1HG THR 73 14.213 4.922 7.371 498 HG21 THR 73 1HG2 THR 73 12.918 2.657 6.587 499 HG22 THR 73 2HG2 THR 73 11.202 2.732 6.990 500 HG23 THR 73 3HG2 THR 73 12.380 2.289 8.225 501 H TYR 74 H TYR 74 10.407 4.090 4.964 502 HA TYR 74 HA TYR 74 7.970 5.095 6.259 503 HB2 TYR 74 1HB TYR 74 8.587 5.155 3.302 504 HB3 TYR 74 2HB TYR 74 6.970 5.374 3.964 505 HD1 TYR 74 1HD TYR 74 6.606 7.315 5.588 506 HD2 TYR 74 2HD TYR 74 10.051 6.971 3.116 507 HE1 TYR 74 1HE TYR 74 7.044 9.719 5.875 508 HE2 TYR 74 2HE TYR 74 10.500 9.373 3.397 509 HH TYR 74 HH TYR 74 8.293 11.539 4.493 510 H TYR 75 H TYR 75 6.026 3.852 5.660 511 HA TYR 75 HA TYR 75 6.524 1.172 4.622 512 HB2 TYR 75 1HB TYR 75 5.240 1.621 7.323 513 HB3 TYR 75 2HB TYR 75 5.510 0.070 6.537 514 HD1 TYR 75 1HD TYR 75 7.410 3.062 7.714 515 HD2 TYR 75 2HD TYR 75 7.395 -1.148 7.102 516 HE1 TYR 75 1HE TYR 75 9.610 2.902 8.802 517 HE2 TYR 75 2HE TYR 75 9.593 -1.320 8.190 518 HH TYR 75 HH TYR 75 11.184 -0.237 9.311 519 H CYS 76 H CYS 76 4.651 0.089 3.909 520 HA CYS 76 HA CYS 76 2.107 1.498 4.058 521 HB2 CYS 76 1HB CYS 76 1.785 1.711 1.727 522 HB3 CYS 76 2HB CYS 76 3.411 2.314 2.021 523 HG CYS 76 HG CYS 76 4.716 0.086 1.054 524 H ARG 77 H ARG 77 0.298 0.196 3.555 525 HA ARG 77 HA ARG 77 0.767 -2.617 2.954 526 HB2 ARG 77 1HB ARG 77 -0.608 -3.346 4.888 527 HB3 ARG 77 2HB ARG 77 0.912 -2.599 5.364 528 HG2 ARG 77 1HG ARG 77 -0.192 -0.579 5.988 529 HG3 ARG 77 2HG ARG 77 -1.718 -1.140 5.302 530 HD2 ARG 77 1HD ARG 77 -2.071 -1.597 7.518 531 HD3 ARG 77 2HD ARG 77 -1.371 -3.124 6.988 532 HE ARG 77 HE ARG 77 0.716 -1.489 7.838 533 HH11 ARG 77 1HH1 ARG 77 -2.080 -3.078 9.174 534 HH12 ARG 77 2HH1 ARG 77 -1.382 -3.267 10.748 535 HH21 ARG 77 1HH2 ARG 77 1.645 -1.733 9.908 536 HH22 ARG 77 2HH2 ARG 77 0.736 -2.501 11.165 537 H VAL 78 H VAL 78 -0.792 -3.443 1.700 538 HA VAL 78 HA VAL 78 -3.223 -1.827 1.311 539 HB VAL 78 HB VAL 78 -1.824 -2.062 -0.695 540 HG11 VAL 78 1HG1 VAL 78 -2.377 -4.796 -1.336 541 HG12 VAL 78 2HG1 VAL 78 -0.822 -3.970 -1.231 542 HG13 VAL 78 3HG1 VAL 78 -1.527 -4.711 0.206 543 HG21 VAL 78 1HG2 VAL 78 -4.440 -3.557 -0.828 544 HG22 VAL 78 2HG2 VAL 78 -4.220 -1.814 -0.976 545 HG23 VAL 78 3HG2 VAL 78 -3.578 -2.891 -2.214 546 H GLN 79 H GLN 79 -5.170 -2.678 1.725 547 HA GLN 79 HA GLN 79 -5.321 -5.566 2.286 548 HB2 GLN 79 1HB GLN 79 -5.706 -4.791 4.393 549 HB3 GLN 79 2HB GLN 79 -6.275 -3.226 3.830 550 HG2 GLN 79 1HG GLN 79 -8.430 -4.097 3.333 551 HG3 GLN 79 2HG GLN 79 -7.884 -5.753 3.597 552 HE21 GLN 79 1HE2 GLN 79 -9.727 -3.479 4.892 553 HE22 GLN 79 2HE2 GLN 79 -9.538 -3.818 6.575 554 H ALA 80 H ALA 80 -7.295 -6.623 1.784 555 HA ALA 80 HA ALA 80 -8.800 -5.273 -0.352 556 HB1 ALA 80 1HB ALA 80 -8.007 -8.096 0.129 557 HB2 ALA 80 2HB ALA 80 -9.521 -7.791 -0.723 558 HB3 ALA 80 3HB ALA 80 -8.006 -7.156 -1.365 559 H LEU 81 H LEU 81 -10.954 -4.976 -0.207 560 HA LEU 81 HA LEU 81 -12.279 -5.949 2.235 561 HB2 LEU 81 1HB LEU 81 -12.731 -3.479 0.581 562 HB3 LEU 81 2HB LEU 81 -13.871 -4.033 1.807 563 HG LEU 81 HG LEU 81 -11.681 -3.923 3.320 564 HD11 LEU 81 1HD1 LEU 81 -10.442 -3.130 1.184 565 HD12 LEU 81 2HD1 LEU 81 -10.127 -2.325 2.721 566 HD13 LEU 81 3HD1 LEU 81 -11.197 -1.575 1.537 567 HD21 LEU 81 1HD2 LEU 81 -12.414 -1.356 3.546 568 HD22 LEU 81 2HD2 LEU 81 -13.373 -2.693 4.181 569 HD23 LEU 81 3HD2 LEU 81 -13.787 -1.971 2.625 570 H SER 82 H SER 82 -14.450 -6.662 2.101 571 HA SER 82 HA SER 82 -15.420 -7.271 -0.606 572 HB2 SER 82 1HB SER 82 -16.241 -9.495 0.477 573 HB3 SER 82 2HB SER 82 -14.556 -9.361 -0.027 574 HG SER 82 HG SER 82 -13.995 -8.942 2.117 575 H VAL 83 H VAL 83 -17.752 -8.387 -0.236 576 HA VAL 83 HA VAL 83 -19.298 -6.329 1.123 577 HB VAL 83 HB VAL 83 -21.254 -7.634 0.077 578 HG11 VAL 83 1HG1 VAL 83 -20.638 -6.683 -2.238 579 HG12 VAL 83 2HG1 VAL 83 -20.759 -5.568 -0.874 580 HG13 VAL 83 3HG1 VAL 83 -19.176 -6.100 -1.441 581 HG21 VAL 83 1HG2 VAL 83 -20.874 -9.280 -1.464 582 HG22 VAL 83 2HG2 VAL 83 -19.260 -8.691 -1.861 583 HG23 VAL 83 3HG2 VAL 83 -19.528 -9.586 -0.366 584 H VAL 84 H VAL 84 -17.910 -9.095 2.094 585 HA VAL 84 HA VAL 84 -20.150 -9.868 3.843 586 HB VAL 84 HB VAL 84 -19.001 -11.589 2.277 587 HG11 VAL 84 1HG1 VAL 84 -16.704 -10.847 3.090 588 HG12 VAL 84 2HG1 VAL 84 -17.056 -11.756 4.561 589 HG13 VAL 84 3HG1 VAL 84 -16.999 -12.583 3.004 590 HG21 VAL 84 1HG2 VAL 84 -20.638 -12.148 4.006 591 HG22 VAL 84 2HG2 VAL 84 -19.367 -13.366 3.911 592 HG23 VAL 84 3HG2 VAL 84 -19.355 -12.178 5.215 593 H GLY 85 H GLY 85 -17.044 -8.446 3.751 594 HA2 GLY 85 1HA GLY 85 -17.067 -7.621 6.412 595 HA3 GLY 85 2HA GLY 85 -16.124 -9.103 6.346 596 H ALA 86 H ALA 86 -14.019 -8.760 6.211 597 HA ALA 86 HA ALA 86 -12.893 -7.002 4.259 598 HB1 ALA 86 1HB ALA 86 -11.820 -6.114 6.797 599 HB2 ALA 86 2HB ALA 86 -12.437 -5.171 5.441 600 HB3 ALA 86 3HB ALA 86 -13.548 -5.788 6.663 601 H GLY 87 H GLY 87 -11.042 -7.888 3.603 602 HA2 GLY 87 1HA GLY 87 -9.921 -10.111 5.048 603 HA3 GLY 87 2HA GLY 87 -9.357 -9.473 3.511 604 HA PRO 88 HA PRO 88 -6.610 -8.226 7.209 605 HB2 PRO 88 1HB PRO 88 -4.595 -10.010 6.852 606 HB3 PRO 88 2HB PRO 88 -5.987 -10.329 7.894 607 HG2 PRO 88 1HG PRO 88 -5.475 -11.234 5.087 608 HG3 PRO 88 2HG PRO 88 -6.131 -12.150 6.455 609 HD2 PRO 88 1HD PRO 88 -7.703 -11.111 4.512 610 HD3 PRO 88 2HD PRO 88 -8.245 -11.270 6.194 611 H PHE 89 H PHE 89 -4.418 -7.338 7.018 612 HA PHE 89 HA PHE 89 -3.999 -6.227 4.376 613 HB2 PHE 89 1HB PHE 89 -2.775 -5.691 7.077 614 HB3 PHE 89 2HB PHE 89 -2.147 -4.953 5.607 615 HD1 PHE 89 1HD PHE 89 -5.124 -5.222 7.775 616 HD2 PHE 89 2HD PHE 89 -3.208 -3.094 4.626 617 HE1 PHE 89 1HE PHE 89 -6.809 -3.438 7.959 618 HE2 PHE 89 2HE PHE 89 -4.888 -1.306 4.806 619 HZ PHE 89 HZ PHE 89 -6.692 -1.475 6.475 620 H SER 90 H SER 90 -1.876 -6.175 3.368 621 HA SER 90 HA SER 90 -0.680 -8.785 3.343 622 HB2 SER 90 1HB SER 90 0.853 -7.685 1.618 623 HB3 SER 90 2HB SER 90 -0.864 -7.738 1.224 624 HG SER 90 HG SER 90 0.766 -5.577 1.752 625 H GLU 91 H GLU 91 1.885 -8.701 3.085 626 HA GLU 91 HA GLU 91 2.880 -8.144 5.684 627 HB2 GLU 91 1HB GLU 91 4.263 -8.946 3.123 628 HB3 GLU 91 2HB GLU 91 5.101 -8.771 4.659 629 HG2 GLU 91 1HG GLU 91 4.035 -10.604 5.597 630 HG3 GLU 91 2HG GLU 91 2.724 -10.567 4.420 631 H VAL 92 H VAL 92 3.458 -6.234 6.453 632 HA VAL 92 HA VAL 92 3.520 -3.830 5.214 633 HB VAL 92 HB VAL 92 5.275 -4.766 7.482 634 HG11 VAL 92 1HG1 VAL 92 4.958 -2.034 6.277 635 HG12 VAL 92 2HG1 VAL 92 5.448 -2.262 7.957 636 HG13 VAL 92 3HG1 VAL 92 6.443 -2.909 6.651 637 HG21 VAL 92 1HG2 VAL 92 2.691 -3.218 7.355 638 HG22 VAL 92 2HG2 VAL 92 2.942 -4.830 8.025 639 HG23 VAL 92 3HG2 VAL 92 3.650 -3.424 8.821 640 H VAL 93 H VAL 93 4.921 -2.591 4.040 641 HA VAL 93 HA VAL 93 7.430 -3.886 3.187 642 HB VAL 93 HB VAL 93 5.642 -2.102 1.526 643 HG11 VAL 93 1HG1 VAL 93 7.457 -1.716 0.304 644 HG12 VAL 93 2HG1 VAL 93 8.417 -2.830 1.279 645 HG13 VAL 93 3HG1 VAL 93 7.488 -3.433 -0.094 646 HG21 VAL 93 1HG2 VAL 93 6.256 -4.965 0.917 647 HG22 VAL 93 2HG2 VAL 93 4.965 -4.557 2.048 648 HG23 VAL 93 3HG2 VAL 93 4.898 -3.974 0.384 649 H ALA 94 H ALA 94 9.084 -2.840 4.072 650 HA ALA 94 HA ALA 94 8.898 -0.053 4.805 651 HB1 ALA 94 1HB ALA 94 10.044 -1.680 6.250 652 HB2 ALA 94 2HB ALA 94 11.254 -1.926 4.990 653 HB3 ALA 94 3HB ALA 94 11.099 -0.351 5.769 654 H CYS 95 H CYS 95 10.148 1.635 3.985 655 HA CYS 95 HA CYS 95 11.878 1.179 1.709 656 HB2 CYS 95 1HB CYS 95 10.631 2.710 0.225 657 HB3 CYS 95 2HB CYS 95 9.701 1.270 0.619 658 HG CYS 95 HG CYS 95 8.355 2.783 2.757 659 H VAL 96 H VAL 96 13.521 2.570 1.761 660 HA VAL 96 HA VAL 96 13.234 4.982 3.428 661 HB VAL 96 HB VAL 96 15.777 3.518 2.708 662 HG11 VAL 96 1HG1 VAL 96 16.768 5.413 3.325 663 HG12 VAL 96 2HG1 VAL 96 15.240 6.112 3.867 664 HG13 VAL 96 3HG1 VAL 96 16.183 5.096 4.958 665 HG21 VAL 96 1HG2 VAL 96 15.783 2.592 4.886 666 HG22 VAL 96 2HG2 VAL 96 14.426 3.596 5.396 667 HG23 VAL 96 3HG2 VAL 96 14.172 2.296 4.233 668 H THR 97 H THR 97 13.114 6.823 2.344 669 HA THR 97 HA THR 97 13.666 7.035 -0.432 670 HB THR 97 HB THR 97 13.410 9.551 0.039 671 HG1 THR 97 1HG THR 97 13.209 10.124 2.063 672 HG21 THR 97 1HG2 THR 97 11.306 7.468 0.511 673 HG22 THR 97 2HG2 THR 97 11.540 8.518 -0.886 674 HG23 THR 97 3HG2 THR 97 10.909 9.181 0.620 675 HA PRO 98 HA PRO 98 17.941 8.050 -0.503 676 HB2 PRO 98 1HB PRO 98 18.029 9.662 -2.686 677 HB3 PRO 98 2HB PRO 98 17.800 7.912 -2.793 678 HG2 PRO 98 1HG PRO 98 15.763 10.101 -2.931 679 HG3 PRO 98 2HG PRO 98 15.903 8.638 -3.924 680 HD2 PRO 98 1HD PRO 98 14.156 8.838 -1.865 681 HD3 PRO 98 2HD PRO 98 14.922 7.304 -2.321 682 HA PRO 99 HA PRO 99 18.462 11.881 1.626 683 HB2 PRO 99 1HB PRO 99 21.142 12.179 1.313 684 HB3 PRO 99 2HB PRO 99 20.429 10.999 2.420 685 HG2 PRO 99 1HG PRO 99 21.513 10.592 -0.341 686 HG3 PRO 99 2HG PRO 99 21.728 9.588 1.105 687 HD2 PRO 99 1HD PRO 99 19.953 8.973 -0.847 688 HD3 PRO 99 2HD PRO 99 19.671 8.576 0.861 689 H SER 100 H SER 100 18.302 13.986 1.111 690 HA SER 100 HA SER 100 18.870 14.755 -1.662 691 HB2 SER 100 1HB SER 100 16.601 15.206 -1.059 692 HB3 SER 100 2HB SER 100 17.088 15.969 0.454 693 HG SER 100 HG SER 100 18.102 17.050 -1.903 694 H SER 101 H SER 101 20.788 15.663 -1.969 695 HA SER 101 HA SER 101 21.935 17.325 0.168 696 HB2 SER 101 1HB SER 101 24.039 17.055 -1.379 697 HB3 SER 101 2HB SER 101 23.547 15.727 -0.328 698 HG SER 101 HG SER 101 23.507 15.917 -3.081 699 H GLY 102 H GLY 102 20.781 17.362 -3.105 700 HA2 GLY 102 1HA GLY 102 20.089 19.859 -3.505 701 HA3 GLY 102 2HA GLY 102 21.835 20.060 -3.548 702 HA PRO 103 HA PRO 103 20.479 19.310 -7.885 703 HB2 PRO 103 1HB PRO 103 22.196 21.114 -8.962 704 HB3 PRO 103 2HB PRO 103 20.604 21.559 -8.337 705 HG2 PRO 103 1HG PRO 103 23.287 21.806 -7.033 706 HG3 PRO 103 2HG PRO 103 21.946 22.966 -7.063 707 HD2 PRO 103 1HD PRO 103 22.442 21.368 -4.934 708 HD3 PRO 103 2HD PRO 103 20.802 21.881 -5.382 709 H SER 104 H SER 104 21.380 17.249 -7.980 710 HA SER 104 HA SER 104 23.032 15.637 -8.155 711 HB2 SER 104 1HB SER 104 22.507 16.791 -10.479 712 HB3 SER 104 2HB SER 104 24.185 17.316 -10.345 713 HG SER 104 HG SER 104 24.607 14.989 -9.904 714 H SER 105 H SER 105 23.789 17.279 -6.108 715 HA SER 105 HA SER 105 26.579 18.010 -6.586 716 HB2 SER 105 1HB SER 105 26.476 19.318 -4.651 717 HB3 SER 105 2HB SER 105 24.847 19.470 -5.307 718 HG SER 105 HG SER 105 25.501 18.654 -2.918 719 H GLY 106 H GLY 106 28.128 17.466 -4.753 720 HA2 GLY 106 1HA GLY 106 28.747 15.927 -3.006 721 HA3 GLY 106 2HA GLY 106 27.569 14.793 -3.648 Start of MODEL 9 1 H1 GLY 1 H GLY 1 -12.046 -29.305 0.883 2 HA2 GLY 1 1HA GLY 1 -11.259 -30.154 3.005 3 HA3 GLY 1 2HA GLY 1 -10.077 -28.854 3.031 4 H SER 2 H SER 2 -10.655 -27.976 4.980 5 HA SER 2 HA SER 2 -13.425 -27.031 5.258 6 HB2 SER 2 1HB SER 2 -11.256 -27.412 7.336 7 HB3 SER 2 2HB SER 2 -12.857 -26.753 7.671 8 HG SER 2 HG SER 2 -12.616 -29.054 8.060 9 H SER 3 H SER 3 -13.896 -24.909 5.358 10 HA SER 3 HA SER 3 -11.635 -23.019 5.271 11 HB2 SER 3 1HB SER 3 -14.267 -23.017 3.807 12 HB3 SER 3 2HB SER 3 -13.343 -21.531 4.028 13 HG SER 3 HG SER 3 -12.969 -22.881 2.049 14 H GLY 4 H GLY 4 -12.113 -20.839 6.102 15 HA2 GLY 4 1HA GLY 4 -14.377 -20.276 7.687 16 HA3 GLY 4 2HA GLY 4 -13.103 -20.911 8.718 17 H SER 5 H SER 5 -13.499 -18.524 6.096 18 HA SER 5 HA SER 5 -11.890 -16.655 7.705 19 HB2 SER 5 1HB SER 5 -11.596 -17.423 4.829 20 HB3 SER 5 2HB SER 5 -11.217 -15.769 5.308 21 HG SER 5 HG SER 5 -9.411 -16.489 6.072 22 H SER 6 H SER 6 -12.469 -14.486 7.607 23 HA SER 6 HA SER 6 -15.201 -14.015 6.686 24 HB2 SER 6 1HB SER 6 -13.373 -12.584 8.602 25 HB3 SER 6 2HB SER 6 -14.834 -11.811 7.988 26 HG SER 6 HG SER 6 -15.041 -14.396 9.031 27 H GLY 7 H GLY 7 -13.059 -14.192 4.754 28 HA2 GLY 7 1HA GLY 7 -13.696 -12.117 3.043 29 HA3 GLY 7 2HA GLY 7 -12.269 -11.583 3.922 30 HA PRO 8 HA PRO 8 -10.932 -13.987 0.168 31 HB2 PRO 8 1HB PRO 8 -9.174 -12.115 -0.710 32 HB3 PRO 8 2HB PRO 8 -10.886 -12.105 -1.148 33 HG2 PRO 8 1HG PRO 8 -9.457 -10.514 0.947 34 HG3 PRO 8 2HG PRO 8 -10.696 -9.987 -0.208 35 HD2 PRO 8 1HD PRO 8 -11.262 -10.552 2.379 36 HD3 PRO 8 2HD PRO 8 -12.421 -10.833 1.065 37 H ASP 9 H ASP 9 -8.381 -14.002 -0.535 38 HA ASP 9 HA ASP 9 -7.046 -15.032 1.824 39 HB2 ASP 9 1HB ASP 9 -6.612 -15.210 -1.124 40 HB3 ASP 9 2HB ASP 9 -5.233 -15.480 -0.061 41 H GLN 10 H GLN 10 -4.845 -14.462 2.367 42 HA GLN 10 HA GLN 10 -4.400 -11.824 2.878 43 HB2 GLN 10 1HB GLN 10 -3.097 -13.871 3.698 44 HB3 GLN 10 2HB GLN 10 -2.122 -13.691 2.245 45 HG2 GLN 10 1HG GLN 10 -1.808 -11.253 3.062 46 HG3 GLN 10 2HG GLN 10 -2.326 -11.894 4.620 47 HE21 GLN 10 1HE2 GLN 10 0.301 -10.946 3.235 48 HE22 GLN 10 2HE2 GLN 10 1.449 -12.121 3.770 49 H CYS 11 H CYS 11 -3.376 -10.108 1.908 50 HA CYS 11 HA CYS 11 -3.108 -10.298 -0.994 51 HB2 CYS 11 1HB CYS 11 -3.543 -8.069 0.945 52 HB3 CYS 11 2HB CYS 11 -2.783 -7.698 -0.598 53 HG CYS 11 HG CYS 11 -5.869 -9.125 -0.197 54 H LYS 12 H LYS 12 -1.259 -9.711 -2.114 55 HA LYS 12 HA LYS 12 1.211 -10.121 -0.690 56 HB2 LYS 12 1HB LYS 12 0.453 -9.774 -3.570 57 HB3 LYS 12 2HB LYS 12 2.139 -9.643 -3.087 58 HG2 LYS 12 1HG LYS 12 0.529 -12.020 -2.267 59 HG3 LYS 12 2HG LYS 12 1.207 -11.918 -3.893 60 HD2 LYS 12 1HD LYS 12 3.421 -11.359 -2.673 61 HD3 LYS 12 2HD LYS 12 2.624 -12.047 -1.257 62 HE2 LYS 12 1HE LYS 12 2.724 -13.527 -3.864 63 HE3 LYS 12 2HE LYS 12 4.069 -13.591 -2.725 64 HZ1 LYS 12 1HZ LYS 12 2.880 -15.349 -1.981 65 HZ2 LYS 12 2HZ LYS 12 1.395 -14.737 -2.508 66 HZ3 LYS 12 3HZ LYS 12 2.094 -14.151 -1.083 67 HA PRO 13 HA PRO 13 2.415 -5.946 -0.054 68 HB2 PRO 13 1HB PRO 13 5.109 -6.140 -0.318 69 HB3 PRO 13 2HB PRO 13 4.233 -6.772 1.081 70 HG2 PRO 13 1HG PRO 13 5.247 -8.223 -1.334 71 HG3 PRO 13 2HG PRO 13 5.313 -8.706 0.371 72 HD2 PRO 13 1HD PRO 13 3.468 -9.689 -1.350 73 HD3 PRO 13 2HD PRO 13 3.131 -9.449 0.377 74 HA PRO 14 HA PRO 14 2.624 -4.186 -4.127 75 HB2 PRO 14 1HB PRO 14 2.803 -1.590 -3.352 76 HB3 PRO 14 2HB PRO 14 1.293 -2.508 -3.295 77 HG2 PRO 14 1HG PRO 14 3.221 -1.895 -1.088 78 HG3 PRO 14 2HG PRO 14 1.447 -1.845 -1.072 79 HD2 PRO 14 1HD PRO 14 2.857 -3.917 -0.044 80 HD3 PRO 14 2HD PRO 14 1.262 -4.126 -0.794 81 H GLN 15 H GLN 15 4.044 -2.586 -5.301 82 HA GLN 15 HA GLN 15 6.825 -2.925 -4.405 83 HB2 GLN 15 1HB GLN 15 6.418 -4.015 -6.512 84 HB3 GLN 15 2HB GLN 15 5.664 -2.568 -7.169 85 HG2 GLN 15 1HG GLN 15 7.802 -2.642 -8.115 86 HG3 GLN 15 2HG GLN 15 7.897 -1.424 -6.845 87 HE21 GLN 15 1HE2 GLN 15 9.710 -3.590 -8.220 88 HE22 GLN 15 2HE2 GLN 15 10.607 -4.211 -6.880 89 H VAL 16 H VAL 16 7.747 -1.174 -3.593 90 HA VAL 16 HA VAL 16 6.686 1.465 -4.249 91 HB VAL 16 HB VAL 16 8.422 2.170 -2.465 92 HG11 VAL 16 1HG1 VAL 16 5.976 0.527 -1.840 93 HG12 VAL 16 2HG1 VAL 16 6.853 1.472 -0.635 94 HG13 VAL 16 3HG1 VAL 16 6.089 2.279 -2.004 95 HG21 VAL 16 1HG2 VAL 16 9.428 0.600 -1.149 96 HG22 VAL 16 2HG2 VAL 16 8.167 -0.602 -1.425 97 HG23 VAL 16 3HG2 VAL 16 9.378 -0.293 -2.669 98 H THR 17 H THR 17 7.645 2.809 -5.623 99 HA THR 17 HA THR 17 10.455 2.299 -6.355 100 HB THR 17 HB THR 17 8.243 3.285 -8.166 101 HG1 THR 17 1HG THR 17 8.627 1.272 -9.218 102 HG21 THR 17 1HG2 THR 17 10.311 2.674 -9.800 103 HG22 THR 17 2HG2 THR 17 11.182 3.291 -8.396 104 HG23 THR 17 3HG2 THR 17 9.980 4.299 -9.200 105 H CYS 18 H CYS 18 11.187 3.832 -4.830 106 HA CYS 18 HA CYS 18 10.275 6.423 -4.485 107 HB2 CYS 18 1HB CYS 18 13.008 5.196 -4.193 108 HB3 CYS 18 2HB CYS 18 12.729 6.898 -3.848 109 HG CYS 18 HG CYS 18 11.924 4.194 -2.047 110 H ARG 19 H ARG 19 9.690 7.341 -6.461 111 HA ARG 19 HA ARG 19 11.285 7.531 -8.737 112 HB2 ARG 19 1HB ARG 19 9.054 9.240 -7.667 113 HB3 ARG 19 2HB ARG 19 9.869 9.643 -9.172 114 HG2 ARG 19 1HG ARG 19 8.834 6.881 -8.847 115 HG3 ARG 19 2HG ARG 19 7.675 8.183 -9.123 116 HD2 ARG 19 1HD ARG 19 10.097 7.911 -10.860 117 HD3 ARG 19 2HD ARG 19 8.675 6.910 -11.151 118 HE ARG 19 HE ARG 19 7.829 9.559 -10.944 119 HH11 ARG 19 1HH1 ARG 19 9.779 7.580 -13.042 120 HH12 ARG 19 2HH1 ARG 19 9.441 8.520 -14.458 121 HH21 ARG 19 1HH2 ARG 19 7.376 10.804 -12.802 122 HH22 ARG 19 2HH2 ARG 19 8.075 10.353 -14.320 123 H SER 20 H SER 20 10.996 9.735 -5.975 124 HA SER 20 HA SER 20 13.647 10.784 -6.573 125 HB2 SER 20 1HB SER 20 11.654 12.204 -7.607 126 HB3 SER 20 2HB SER 20 11.555 12.825 -5.959 127 HG SER 20 HG SER 20 14.108 12.803 -6.655 128 H ALA 21 H ALA 21 14.147 12.547 -4.777 129 HA ALA 21 HA ALA 21 14.272 11.212 -2.335 130 HB1 ALA 21 1HB ALA 21 14.477 13.945 -1.751 131 HB2 ALA 21 2HB ALA 21 15.789 12.807 -2.058 132 HB3 ALA 21 3HB ALA 21 15.109 13.748 -3.386 133 H THR 22 H THR 22 11.888 13.456 -3.588 134 HA THR 22 HA THR 22 10.322 13.089 -1.117 135 HB THR 22 HB THR 22 9.247 15.270 -1.588 136 HG1 THR 22 1HG THR 22 9.804 15.245 -3.886 137 HG21 THR 22 1HG2 THR 22 11.444 14.898 -0.214 138 HG22 THR 22 2HG2 THR 22 10.899 16.535 -0.581 139 HG23 THR 22 3HG2 THR 22 12.189 15.800 -1.534 140 H CYS 23 H CYS 23 10.401 11.533 -3.671 141 HA CYS 23 HA CYS 23 7.518 11.600 -4.172 142 HB2 CYS 23 1HB CYS 23 9.556 11.427 -6.400 143 HB3 CYS 23 2HB CYS 23 7.805 11.440 -6.573 144 HG CYS 23 HG CYS 23 8.060 14.122 -5.083 145 H ALA 24 H ALA 24 6.609 9.617 -4.706 146 HA ALA 24 HA ALA 24 8.264 7.298 -5.148 147 HB1 ALA 24 1HB ALA 24 8.557 6.928 -2.943 148 HB2 ALA 24 2HB ALA 24 7.162 7.907 -2.484 149 HB3 ALA 24 3HB ALA 24 6.930 6.255 -3.055 150 H GLN 25 H GLN 25 7.022 5.386 -5.636 151 HA GLN 25 HA GLN 25 4.176 5.893 -6.173 152 HB2 GLN 25 1HB GLN 25 5.337 6.205 -8.275 153 HB3 GLN 25 2HB GLN 25 6.185 4.678 -8.075 154 HG2 GLN 25 1HG GLN 25 4.544 4.071 -9.540 155 HG3 GLN 25 2HG GLN 25 3.773 3.683 -8.003 156 HE21 GLN 25 1HE2 GLN 25 1.682 3.990 -8.477 157 HE22 GLN 25 2HE2 GLN 25 1.004 5.480 -9.028 158 H VAL 26 H VAL 26 2.810 4.191 -5.857 159 HA VAL 26 HA VAL 26 4.039 1.691 -4.890 160 HB VAL 26 HB VAL 26 1.349 2.754 -4.036 161 HG11 VAL 26 1HG1 VAL 26 3.131 0.537 -3.046 162 HG12 VAL 26 2HG1 VAL 26 1.743 1.149 -2.143 163 HG13 VAL 26 3HG1 VAL 26 1.508 0.402 -3.722 164 HG21 VAL 26 1HG2 VAL 26 3.863 2.890 -2.394 165 HG22 VAL 26 2HG2 VAL 26 3.331 4.228 -3.413 166 HG23 VAL 26 3HG2 VAL 26 2.308 3.666 -2.090 167 H ASN 27 H ASN 27 3.046 -0.269 -5.431 168 HA ASN 27 HA ASN 27 0.806 -0.207 -7.299 169 HB2 ASN 27 1HB ASN 27 3.306 -1.749 -7.989 170 HB3 ASN 27 2HB ASN 27 1.908 -1.434 -9.012 171 HD21 ASN 27 1HD2 ASN 27 1.585 0.697 -9.805 172 HD22 ASN 27 2HD2 ASN 27 2.919 1.782 -9.973 173 H TRP 28 H TRP 28 -0.554 -1.879 -7.030 174 HA TRP 28 HA TRP 28 0.396 -4.277 -5.639 175 HB2 TRP 28 1HB TRP 28 -1.583 -4.268 -4.174 176 HB3 TRP 28 2HB TRP 28 -0.577 -2.848 -3.911 177 HD1 TRP 28 HD TRP 28 -4.007 -3.891 -5.204 178 HE1 TRP 28 1HE TRP 28 -5.471 -1.791 -5.466 179 HE3 TRP 28 3HE TRP 28 -0.448 -0.315 -4.382 180 HZ2 TRP 28 2HZ TRP 28 -5.158 1.012 -5.341 181 HZ3 TRP 28 3HZ TRP 28 -1.113 2.053 -4.472 182 HH2 TRP 28 HH TRP 28 -3.419 2.701 -4.943 183 H GLU 29 H GLU 29 -1.697 -5.833 -5.500 184 HA GLU 29 HA GLU 29 -3.272 -5.703 -7.938 185 HB2 GLU 29 1HB GLU 29 -1.201 -7.821 -7.408 186 HB3 GLU 29 2HB GLU 29 -2.586 -8.129 -8.445 187 HG2 GLU 29 1HG GLU 29 -1.903 -6.514 -10.014 188 HG3 GLU 29 2HG GLU 29 -0.720 -5.826 -8.904 189 H VAL 30 H VAL 30 -4.740 -7.715 -8.058 190 HA VAL 30 HA VAL 30 -5.903 -8.067 -5.402 191 HB VAL 30 HB VAL 30 -7.056 -8.892 -8.068 192 HG11 VAL 30 1HG1 VAL 30 -7.968 -10.041 -6.079 193 HG12 VAL 30 2HG1 VAL 30 -8.397 -8.470 -5.400 194 HG13 VAL 30 3HG1 VAL 30 -9.160 -9.026 -6.890 195 HG21 VAL 30 1HG2 VAL 30 -7.089 -6.297 -6.608 196 HG22 VAL 30 2HG2 VAL 30 -6.996 -6.615 -8.340 197 HG23 VAL 30 3HG2 VAL 30 -8.532 -6.792 -7.493 198 HA PRO 31 HA PRO 31 -4.290 -12.169 -5.044 199 HB2 PRO 31 1HB PRO 31 -5.867 -12.989 -2.992 200 HB3 PRO 31 2HB PRO 31 -4.508 -11.881 -2.775 201 HG2 PRO 31 1HG PRO 31 -7.430 -11.273 -2.999 202 HG3 PRO 31 2HG PRO 31 -6.227 -10.591 -1.889 203 HD2 PRO 31 1HD PRO 31 -7.057 -9.291 -4.115 204 HD3 PRO 31 2HD PRO 31 -5.410 -9.129 -3.471 205 H LEU 32 H LEU 32 -5.567 -14.413 -4.403 206 HA LEU 32 HA LEU 32 -7.137 -14.965 -6.747 207 HB2 LEU 32 1HB LEU 32 -6.473 -16.754 -4.414 208 HB3 LEU 32 2HB LEU 32 -7.124 -17.268 -5.969 209 HG LEU 32 HG LEU 32 -4.490 -15.857 -5.854 210 HD11 LEU 32 1HD1 LEU 32 -4.801 -17.960 -4.242 211 HD12 LEU 32 2HD1 LEU 32 -3.312 -17.652 -5.136 212 HD13 LEU 32 3HD1 LEU 32 -4.487 -18.813 -5.753 213 HD21 LEU 32 1HD2 LEU 32 -5.428 -18.092 -7.636 214 HD22 LEU 32 2HD2 LEU 32 -4.081 -16.982 -7.889 215 HD23 LEU 32 3HD2 LEU 32 -5.740 -16.393 -7.990 216 H SER 33 H SER 33 -9.155 -14.146 -6.710 217 HA SER 33 HA SER 33 -10.780 -14.429 -4.297 218 HB2 SER 33 1HB SER 33 -11.077 -12.272 -5.099 219 HB3 SER 33 2HB SER 33 -10.976 -12.774 -6.786 220 HG SER 33 HG SER 33 -13.113 -13.620 -5.158 221 H ASN 34 H ASN 34 -11.621 -16.422 -4.139 222 HA ASN 34 HA ASN 34 -12.748 -17.688 -6.530 223 HB2 ASN 34 1HB ASN 34 -12.917 -19.705 -4.969 224 HB3 ASN 34 2HB ASN 34 -11.294 -19.180 -5.407 225 HD21 ASN 34 1HD2 ASN 34 -10.119 -17.892 -3.866 226 HD22 ASN 34 2HD2 ASN 34 -10.424 -18.092 -2.177 227 H GLY 35 H GLY 35 -13.598 -16.584 -3.293 228 HA2 GLY 35 1HA GLY 35 -16.423 -17.208 -3.867 229 HA3 GLY 35 2HA GLY 35 -15.745 -16.999 -2.259 230 H THR 36 H THR 36 -15.008 -14.821 -1.672 231 HA THR 36 HA THR 36 -16.960 -12.868 -2.483 232 HB THR 36 HB THR 36 -15.562 -11.385 -0.874 233 HG1 THR 36 1HG THR 36 -14.290 -12.632 0.573 234 HG21 THR 36 1HG2 THR 36 -17.454 -11.903 0.221 235 HG22 THR 36 2HG2 THR 36 -16.477 -13.117 1.047 236 HG23 THR 36 3HG2 THR 36 -17.441 -13.567 -0.360 237 H ASP 37 H ASP 37 -16.640 -11.003 -3.627 238 HA ASP 37 HA ASP 37 -14.106 -10.832 -5.102 239 HB2 ASP 37 1HB ASP 37 -16.926 -10.074 -5.725 240 HB3 ASP 37 2HB ASP 37 -15.626 -9.159 -6.485 241 H VAL 38 H VAL 38 -12.781 -9.130 -4.895 242 HA VAL 38 HA VAL 38 -12.972 -7.367 -2.746 243 HB VAL 38 HB VAL 38 -11.408 -6.810 -5.263 244 HG11 VAL 38 1HG1 VAL 38 -9.810 -5.841 -3.551 245 HG12 VAL 38 2HG1 VAL 38 -11.314 -4.956 -3.807 246 HG13 VAL 38 3HG1 VAL 38 -11.126 -5.984 -2.386 247 HG21 VAL 38 1HG2 VAL 38 -11.125 -8.963 -3.305 248 HG22 VAL 38 2HG2 VAL 38 -10.441 -8.805 -4.922 249 HG23 VAL 38 3HG2 VAL 38 -9.654 -8.023 -3.552 250 H THR 39 H THR 39 -13.713 -5.316 -2.486 251 HA THR 39 HA THR 39 -15.122 -4.108 -4.778 252 HB THR 39 HB THR 39 -16.686 -3.092 -3.130 253 HG1 THR 39 1HG THR 39 -15.610 -3.173 -1.211 254 HG21 THR 39 1HG2 THR 39 -17.636 -4.938 -4.153 255 HG22 THR 39 2HG2 THR 39 -17.734 -5.388 -2.451 256 HG23 THR 39 3HG2 THR 39 -16.456 -6.055 -3.468 257 H GLU 40 H GLU 40 -13.198 -3.549 -1.886 258 HA GLU 40 HA GLU 40 -12.415 -0.947 -2.985 259 HB2 GLU 40 1HB GLU 40 -13.662 -1.476 -0.333 260 HB3 GLU 40 2HB GLU 40 -12.371 -0.284 -0.404 261 HG2 GLU 40 1HG GLU 40 -13.586 1.034 -1.985 262 HG3 GLU 40 2HG GLU 40 -14.823 -0.211 -2.142 263 H TYR 41 H TYR 41 -10.444 -0.078 -1.849 264 HA TYR 41 HA TYR 41 -8.735 -2.202 -0.768 265 HB2 TYR 41 1HB TYR 41 -7.907 -0.316 -2.985 266 HB3 TYR 41 2HB TYR 41 -6.878 -1.515 -2.210 267 HD1 TYR 41 1HD TYR 41 -9.796 -1.054 -4.425 268 HD2 TYR 41 2HD TYR 41 -6.954 -3.806 -2.860 269 HE1 TYR 41 1HE TYR 41 -10.508 -2.723 -6.085 270 HE2 TYR 41 2HE TYR 41 -7.656 -5.483 -4.517 271 HH TYR 41 HH TYR 41 -9.289 -4.836 -7.209 272 H ARG 42 H ARG 42 -8.051 -1.537 1.146 273 HA ARG 42 HA ARG 42 -7.749 1.333 1.651 274 HB2 ARG 42 1HB ARG 42 -8.224 -1.061 3.366 275 HB3 ARG 42 2HB ARG 42 -7.392 0.316 4.075 276 HG2 ARG 42 1HG ARG 42 -9.278 1.758 3.466 277 HG3 ARG 42 2HG ARG 42 -10.115 0.358 2.791 278 HD2 ARG 42 1HD ARG 42 -9.787 -0.687 5.122 279 HD3 ARG 42 2HD ARG 42 -9.449 0.960 5.651 280 HE ARG 42 HE ARG 42 -12.002 -0.149 5.025 281 HH11 ARG 42 1HH1 ARG 42 -10.135 2.790 4.992 282 HH12 ARG 42 2HH1 ARG 42 -11.521 3.824 5.102 283 HH21 ARG 42 1HH2 ARG 42 -13.834 1.202 5.170 284 HH22 ARG 42 2HH2 ARG 42 -13.624 2.920 5.204 285 H LEU 43 H LEU 43 -5.788 2.136 1.321 286 HA LEU 43 HA LEU 43 -3.453 0.467 1.986 287 HB2 LEU 43 1HB LEU 43 -3.378 0.886 -0.323 288 HB3 LEU 43 2HB LEU 43 -3.874 2.565 -0.118 289 HG LEU 43 HG LEU 43 -1.581 2.785 1.121 290 HD11 LEU 43 1HD1 LEU 43 -0.585 0.761 1.237 291 HD12 LEU 43 2HD1 LEU 43 -0.018 1.206 -0.372 292 HD13 LEU 43 3HD1 LEU 43 -1.416 0.145 -0.192 293 HD21 LEU 43 1HD2 LEU 43 -0.696 2.706 -1.518 294 HD22 LEU 43 2HD2 LEU 43 -1.374 4.093 -0.665 295 HD23 LEU 43 3HD2 LEU 43 -2.422 3.050 -1.627 296 H GLU 44 H GLU 44 -2.361 1.086 3.720 297 HA GLU 44 HA GLU 44 -2.662 3.843 4.677 298 HB2 GLU 44 1HB GLU 44 -1.645 1.381 6.109 299 HB3 GLU 44 2HB GLU 44 -1.813 2.977 6.827 300 HG2 GLU 44 1HG GLU 44 -4.276 2.816 6.204 301 HG3 GLU 44 2HG GLU 44 -3.969 1.104 5.920 302 H TRP 45 H TRP 45 -0.889 5.120 5.194 303 HA TRP 45 HA TRP 45 1.779 4.105 4.587 304 HB2 TRP 45 1HB TRP 45 0.985 5.013 2.455 305 HB3 TRP 45 2HB TRP 45 0.595 6.542 3.239 306 HD1 TRP 45 HD TRP 45 2.898 7.749 4.449 307 HE1 TRP 45 1HE TRP 45 5.226 8.012 3.383 308 HE3 TRP 45 3HE TRP 45 2.563 4.122 0.861 309 HZ2 TRP 45 2HZ TRP 45 6.723 6.837 1.297 310 HZ3 TRP 45 3HZ TRP 45 4.487 3.755 -0.629 311 HH2 TRP 45 HH TRP 45 6.522 5.086 -0.414 312 H GLY 46 H GLY 46 3.065 4.663 6.210 313 HA2 GLY 46 1HA GLY 46 2.933 7.356 7.310 314 HA3 GLY 46 2HA GLY 46 2.579 6.050 8.430 315 H GLY 47 H GLY 47 4.899 8.099 7.791 316 HA2 GLY 47 1HA GLY 47 7.264 7.017 7.154 317 HA3 GLY 47 2HA GLY 47 7.096 8.070 8.551 318 H VAL 48 H VAL 48 6.095 6.798 10.519 319 HA VAL 48 HA VAL 48 7.893 4.539 10.953 320 HB VAL 48 HB VAL 48 6.296 6.282 12.809 321 HG11 VAL 48 1HG1 VAL 48 5.936 4.253 13.860 322 HG12 VAL 48 2HG1 VAL 48 7.482 3.587 13.333 323 HG13 VAL 48 3HG1 VAL 48 7.433 4.802 14.612 324 HG21 VAL 48 1HG2 VAL 48 9.117 5.949 12.053 325 HG22 VAL 48 2HG2 VAL 48 8.259 7.374 12.637 326 HG23 VAL 48 3HG2 VAL 48 8.819 6.152 13.780 327 H GLU 49 H GLU 49 7.220 2.503 10.878 328 HA GLU 49 HA GLU 49 4.703 1.676 10.128 329 HB2 GLU 49 1HB GLU 49 5.352 -0.565 10.861 330 HB3 GLU 49 2HB GLU 49 6.679 0.233 10.027 331 HG2 GLU 49 1HG GLU 49 7.938 0.440 11.929 332 HG3 GLU 49 2HG GLU 49 6.533 0.412 12.993 333 H GLY 50 H GLY 50 5.901 2.421 13.322 334 HA2 GLY 50 1HA GLY 50 3.973 1.155 14.896 335 HA3 GLY 50 2HA GLY 50 4.834 2.620 15.343 336 H SER 51 H SER 51 3.847 4.254 13.216 337 HA SER 51 HA SER 51 0.987 4.409 13.901 338 HB2 SER 51 1HB SER 51 3.108 6.500 14.048 339 HB3 SER 51 2HB SER 51 1.495 6.999 13.537 340 HG SER 51 HG SER 51 0.858 6.821 15.524 341 H MET 52 H MET 52 -0.015 3.819 12.078 342 HA MET 52 HA MET 52 0.732 5.224 9.601 343 HB2 MET 52 1HB MET 52 0.239 2.314 10.061 344 HB3 MET 52 2HB MET 52 -0.239 3.017 8.521 345 HG2 MET 52 1HG MET 52 1.976 3.628 7.998 346 HG3 MET 52 2HG MET 52 2.526 3.321 9.643 347 HE1 MET 52 1HE MET 52 2.557 2.157 6.199 348 HE2 MET 52 2HE MET 52 2.300 0.412 6.197 349 HE3 MET 52 3HE MET 52 0.937 1.505 6.451 350 H GLN 53 H GLN 53 -0.998 5.596 8.109 351 HA GLN 53 HA GLN 53 -3.708 5.176 9.115 352 HB2 GLN 53 1HB GLN 53 -2.440 7.847 8.578 353 HB3 GLN 53 2HB GLN 53 -4.178 7.626 8.424 354 HG2 GLN 53 1HG GLN 53 -2.480 7.350 10.882 355 HG3 GLN 53 2HG GLN 53 -3.806 8.473 10.585 356 HE21 GLN 53 1HE2 GLN 53 -5.927 7.317 10.047 357 HE22 GLN 53 2HE2 GLN 53 -6.337 5.988 11.072 358 H ILE 54 H ILE 54 -5.366 5.723 7.462 359 HA ILE 54 HA ILE 54 -4.753 4.500 4.999 360 HB ILE 54 HB ILE 54 -7.128 6.253 5.635 361 HG12 ILE 54 1HG1 ILE 54 -6.842 4.391 7.244 362 HG13 ILE 54 2HG1 ILE 54 -8.282 4.199 6.250 363 HG21 ILE 54 1HG2 ILE 54 -8.117 5.536 3.718 364 HG22 ILE 54 2HG2 ILE 54 -6.434 5.453 3.198 365 HG23 ILE 54 3HG2 ILE 54 -7.267 3.991 3.727 366 HD11 ILE 54 1HD1 ILE 54 -6.211 2.360 6.663 367 HD12 ILE 54 2HD1 ILE 54 -7.587 2.216 5.569 368 HD13 ILE 54 3HD1 ILE 54 -6.069 2.902 4.991 369 H CYS 55 H CYS 55 -3.545 5.341 3.440 370 HA CYS 55 HA CYS 55 -3.315 8.220 3.134 371 HB2 CYS 55 1HB CYS 55 -1.431 6.374 2.953 372 HB3 CYS 55 2HB CYS 55 -1.979 6.292 1.283 373 HG CYS 55 HG CYS 55 -0.045 8.536 2.755 374 H TYR 56 H TYR 56 -4.395 5.429 1.236 375 HA TYR 56 HA TYR 56 -6.072 7.222 -0.348 376 HB2 TYR 56 1HB TYR 56 -4.224 7.069 -1.807 377 HB3 TYR 56 2HB TYR 56 -3.980 5.361 -1.457 378 HD1 TYR 56 2HD TYR 56 -5.530 3.673 -2.411 379 HD2 TYR 56 1HD TYR 56 -5.748 7.780 -3.498 380 HE1 TYR 56 2HE TYR 56 -6.867 3.072 -4.385 381 HE2 TYR 56 1HE TYR 56 -7.087 7.191 -5.477 382 HH TYR 56 HH TYR 56 -7.459 5.218 -6.926 383 H CYS 57 H CYS 57 -7.983 6.330 -1.013 384 HA CYS 57 HA CYS 57 -8.411 3.469 -0.525 385 HB2 CYS 57 1HB CYS 57 -10.218 3.761 0.875 386 HB3 CYS 57 2HB CYS 57 -9.219 5.125 1.362 387 HG CYS 57 HG CYS 57 -12.179 5.104 -0.248 388 H GLY 58 H GLY 58 -9.609 2.467 -2.044 389 HA2 GLY 58 1HA GLY 58 -11.733 3.238 -3.494 390 HA3 GLY 58 2HA GLY 58 -10.419 4.030 -4.351 391 HA PRO 59 HA PRO 59 -11.054 -0.405 -5.835 392 HB2 PRO 59 1HB PRO 59 -11.834 0.208 -8.362 393 HB3 PRO 59 2HB PRO 59 -12.973 0.026 -7.022 394 HG2 PRO 59 1HG PRO 59 -11.831 2.525 -8.213 395 HG3 PRO 59 2HG PRO 59 -13.498 2.184 -7.711 396 HD2 PRO 59 1HD PRO 59 -11.779 3.614 -6.182 397 HD3 PRO 59 2HD PRO 59 -13.042 2.578 -5.486 398 H GLY 60 H GLY 60 -9.464 2.473 -6.955 399 HA2 GLY 60 1HA GLY 60 -7.959 1.741 -9.086 400 HA3 GLY 60 2HA GLY 60 -7.315 2.718 -7.775 401 H LEU 61 H LEU 61 -5.711 1.023 -9.282 402 HA LEU 61 HA LEU 61 -5.084 -1.103 -7.340 403 HB2 LEU 61 1HB LEU 61 -4.623 -1.044 -10.317 404 HB3 LEU 61 2HB LEU 61 -3.999 -2.289 -9.237 405 HG LEU 61 HG LEU 61 -6.931 -1.720 -9.658 406 HD11 LEU 61 1HD1 LEU 61 -6.579 -2.663 -11.663 407 HD12 LEU 61 2HD1 LEU 61 -6.482 -4.163 -10.741 408 HD13 LEU 61 3HD1 LEU 61 -5.006 -3.312 -11.197 409 HD21 LEU 61 1HD2 LEU 61 -6.302 -2.752 -7.498 410 HD22 LEU 61 2HD2 LEU 61 -5.540 -4.073 -8.384 411 HD23 LEU 61 3HD2 LEU 61 -7.280 -3.811 -8.515 412 H SER 62 H SER 62 -4.094 1.812 -8.610 413 HA SER 62 HA SER 62 -1.432 1.472 -7.470 414 HB2 SER 62 1HB SER 62 -1.959 2.293 -10.326 415 HB3 SER 62 2HB SER 62 -0.455 2.688 -9.493 416 HG SER 62 HG SER 62 -1.500 0.070 -9.839 417 H TYR 63 H TYR 63 -0.597 3.319 -6.580 418 HA TYR 63 HA TYR 63 -1.947 5.862 -7.051 419 HB2 TYR 63 1HB TYR 63 -3.216 5.020 -5.202 420 HB3 TYR 63 2HB TYR 63 -1.759 4.513 -4.355 421 HD1 TYR 63 1HD TYR 63 -3.644 7.492 -5.507 422 HD2 TYR 63 2HD TYR 63 -0.625 5.992 -2.912 423 HE1 TYR 63 1HE TYR 63 -3.580 9.656 -4.340 424 HE2 TYR 63 2HE TYR 63 -0.553 8.151 -1.737 425 HH TYR 63 HH TYR 63 -1.941 10.094 -1.369 426 H GLU 64 H GLU 64 -0.626 7.600 -6.875 427 HA GLU 64 HA GLU 64 2.187 7.042 -6.280 428 HB2 GLU 64 1HB GLU 64 2.759 8.684 -7.762 429 HB3 GLU 64 2HB GLU 64 1.197 8.238 -8.434 430 HG2 GLU 64 1HG GLU 64 0.377 10.117 -6.744 431 HG3 GLU 64 2HG GLU 64 2.021 10.694 -7.012 432 H ILE 65 H ILE 65 3.409 8.355 -4.894 433 HA ILE 65 HA ILE 65 1.839 10.067 -3.081 434 HB ILE 65 HB ILE 65 3.922 8.011 -2.387 435 HG12 ILE 65 1HG1 ILE 65 1.315 8.514 -0.986 436 HG13 ILE 65 2HG1 ILE 65 1.351 7.601 -2.490 437 HG21 ILE 65 1HG2 ILE 65 3.548 9.025 -0.007 438 HG22 ILE 65 2HG2 ILE 65 4.737 9.732 -1.099 439 HG23 ILE 65 3HG2 ILE 65 3.154 10.487 -0.911 440 HD11 ILE 65 1HD1 ILE 65 3.218 6.250 -1.214 441 HD12 ILE 65 2HD1 ILE 65 2.365 6.876 0.198 442 HD13 ILE 65 3HD1 ILE 65 1.504 5.902 -0.994 443 H LYS 66 H LYS 66 2.693 12.009 -2.574 444 HA LYS 66 HA LYS 66 5.488 12.553 -3.277 445 HB2 LYS 66 1HB LYS 66 3.078 14.115 -4.201 446 HB3 LYS 66 2HB LYS 66 4.701 14.792 -4.195 447 HG2 LYS 66 1HG LYS 66 5.396 12.861 -5.647 448 HG3 LYS 66 2HG LYS 66 3.683 12.462 -5.796 449 HD2 LYS 66 1HD LYS 66 3.208 14.529 -6.868 450 HD3 LYS 66 2HD LYS 66 4.804 15.175 -6.474 451 HE2 LYS 66 1HE LYS 66 5.753 13.294 -7.886 452 HE3 LYS 66 2HE LYS 66 4.105 13.009 -8.443 453 HZ1 LYS 66 1HZ LYS 66 4.028 15.042 -9.517 454 HZ2 LYS 66 2HZ LYS 66 5.613 14.533 -9.817 455 HZ3 LYS 66 3HZ LYS 66 5.309 15.695 -8.625 456 H GLY 67 H GLY 67 6.056 14.883 -2.494 457 HA2 GLY 67 1HA GLY 67 6.145 16.443 -0.792 458 HA3 GLY 67 2HA GLY 67 4.586 15.860 -0.231 459 H LEU 68 H LEU 68 7.252 13.671 -0.682 460 HA LEU 68 HA LEU 68 7.204 13.061 2.161 461 HB2 LEU 68 1HB LEU 68 8.836 11.719 0.019 462 HB3 LEU 68 2HB LEU 68 8.424 11.091 1.612 463 HG LEU 68 HG LEU 68 6.297 11.650 -0.429 464 HD11 LEU 68 1HD1 LEU 68 6.834 8.896 -0.401 465 HD12 LEU 68 2HD1 LEU 68 8.383 9.701 -0.648 466 HD13 LEU 68 3HD1 LEU 68 7.037 10.025 -1.740 467 HD21 LEU 68 1HD2 LEU 68 6.542 10.063 2.096 468 HD22 LEU 68 2HD2 LEU 68 5.322 9.649 0.892 469 HD23 LEU 68 3HD2 LEU 68 5.322 11.249 1.635 470 H SER 69 H SER 69 9.500 12.385 3.029 471 HA SER 69 HA SER 69 11.332 14.622 2.457 472 HB2 SER 69 1HB SER 69 10.709 13.245 5.074 473 HB3 SER 69 2HB SER 69 12.084 14.327 4.857 474 HG SER 69 HG SER 69 10.717 16.010 4.525 475 HA PRO 70 HA PRO 70 14.394 11.648 1.392 476 HB2 PRO 70 1HB PRO 70 16.619 13.139 1.838 477 HB3 PRO 70 2HB PRO 70 15.551 13.398 0.453 478 HG2 PRO 70 1HG PRO 70 15.678 14.879 3.051 479 HG3 PRO 70 2HG PRO 70 15.500 15.518 1.406 480 HD2 PRO 70 1HD PRO 70 13.402 15.241 3.097 481 HD3 PRO 70 2HD PRO 70 13.242 15.060 1.338 482 H ALA 71 H ALA 71 15.917 10.249 2.305 483 HA ALA 71 HA ALA 71 16.750 8.936 3.974 484 HB1 ALA 71 1HB ALA 71 18.094 10.089 5.656 485 HB2 ALA 71 2HB ALA 71 18.361 10.769 4.050 486 HB3 ALA 71 3HB ALA 71 17.345 11.623 5.210 487 H THR 72 H THR 72 14.118 8.873 4.170 488 HA THR 72 HA THR 72 13.655 8.881 7.062 489 HB THR 72 HB THR 72 11.787 10.103 5.027 490 HG1 THR 72 1HG THR 72 13.359 11.066 7.158 491 HG21 THR 72 1HG2 THR 72 10.549 8.678 6.616 492 HG22 THR 72 2HG2 THR 72 10.189 10.390 6.836 493 HG23 THR 72 3HG2 THR 72 11.276 9.567 7.955 494 H THR 73 H THR 73 12.851 7.004 7.736 495 HA THR 73 HA THR 73 12.254 4.912 5.899 496 HB THR 73 HB THR 73 11.626 4.894 8.850 497 HG1 THR 73 1HG THR 73 13.777 5.464 8.708 498 HG21 THR 73 1HG2 THR 73 12.669 2.445 7.918 499 HG22 THR 73 2HG2 THR 73 11.463 2.963 6.739 500 HG23 THR 73 3HG2 THR 73 11.020 2.791 8.437 501 H TYR 74 H TYR 74 10.361 4.254 5.086 502 HA TYR 74 HA TYR 74 7.881 5.293 6.277 503 HB2 TYR 74 1HB TYR 74 8.657 5.288 3.360 504 HB3 TYR 74 2HB TYR 74 6.994 5.477 3.905 505 HD1 TYR 74 1HD TYR 74 6.422 7.454 5.376 506 HD2 TYR 74 2HD TYR 74 10.136 7.120 3.327 507 HE1 TYR 74 1HE TYR 74 6.782 9.873 5.644 508 HE2 TYR 74 2HE TYR 74 10.507 9.537 3.591 509 HH TYR 74 HH TYR 74 8.024 11.644 4.893 510 H TYR 75 H TYR 75 5.941 4.063 5.597 511 HA TYR 75 HA TYR 75 6.490 1.317 4.747 512 HB2 TYR 75 1HB TYR 75 4.937 2.000 7.251 513 HB3 TYR 75 2HB TYR 75 5.176 0.385 6.591 514 HD1 TYR 75 1HD TYR 75 6.778 3.189 8.340 515 HD2 TYR 75 2HD TYR 75 7.279 -0.769 6.860 516 HE1 TYR 75 1HE TYR 75 8.841 2.963 9.660 517 HE2 TYR 75 2HE TYR 75 9.344 -1.005 8.177 518 HH TYR 75 HH TYR 75 10.280 1.316 10.561 519 H CYS 76 H CYS 76 4.705 0.229 3.860 520 HA CYS 76 HA CYS 76 2.190 1.676 3.613 521 HB2 CYS 76 1HB CYS 76 2.164 1.771 1.257 522 HB3 CYS 76 2HB CYS 76 3.765 2.342 1.710 523 HG CYS 76 HG CYS 76 3.066 -0.820 0.600 524 H ARG 77 H ARG 77 0.475 0.345 3.587 525 HA ARG 77 HA ARG 77 0.886 -2.477 2.894 526 HB2 ARG 77 1HB ARG 77 -0.571 -3.090 4.856 527 HB3 ARG 77 2HB ARG 77 1.033 -2.500 5.270 528 HG2 ARG 77 1HG ARG 77 -0.030 -0.232 5.610 529 HG3 ARG 77 2HG ARG 77 -1.588 -1.055 5.498 530 HD2 ARG 77 1HD ARG 77 -1.025 -2.453 7.389 531 HD3 ARG 77 2HD ARG 77 0.592 -1.757 7.459 532 HE ARG 77 HE ARG 77 -1.303 0.302 7.691 533 HH11 ARG 77 1HH1 ARG 77 -0.066 -2.420 9.475 534 HH12 ARG 77 2HH1 ARG 77 -0.402 -1.722 11.025 535 HH21 ARG 77 1HH2 ARG 77 -1.748 1.230 9.726 536 HH22 ARG 77 2HH2 ARG 77 -1.359 0.354 11.167 537 H VAL 78 H VAL 78 -0.778 -3.416 1.818 538 HA VAL 78 HA VAL 78 -3.202 -1.782 1.422 539 HB VAL 78 HB VAL 78 -1.841 -1.861 -0.613 540 HG11 VAL 78 1HG1 VAL 78 -1.556 -4.621 0.130 541 HG12 VAL 78 2HG1 VAL 78 -2.173 -4.491 -1.518 542 HG13 VAL 78 3HG1 VAL 78 -0.666 -3.690 -1.073 543 HG21 VAL 78 1HG2 VAL 78 -4.358 -3.512 -0.814 544 HG22 VAL 78 2HG2 VAL 78 -4.273 -1.751 -0.813 545 HG23 VAL 78 3HG2 VAL 78 -3.570 -2.668 -2.146 546 H GLN 79 H GLN 79 -5.184 -2.824 1.361 547 HA GLN 79 HA GLN 79 -5.207 -5.706 1.909 548 HB2 GLN 79 1HB GLN 79 -6.669 -5.503 3.753 549 HB3 GLN 79 2HB GLN 79 -5.400 -4.318 4.031 550 HG2 GLN 79 1HG GLN 79 -6.820 -2.528 3.358 551 HG3 GLN 79 2HG GLN 79 -8.062 -3.651 2.806 552 HE21 GLN 79 1HE2 GLN 79 -9.379 -4.659 4.297 553 HE22 GLN 79 2HE2 GLN 79 -9.468 -4.162 5.950 554 H ALA 80 H ALA 80 -7.396 -6.663 1.639 555 HA ALA 80 HA ALA 80 -8.848 -5.275 -0.517 556 HB1 ALA 80 1HB ALA 80 -8.207 -7.146 -1.612 557 HB2 ALA 80 2HB ALA 80 -8.045 -8.090 -0.131 558 HB3 ALA 80 3HB ALA 80 -9.639 -7.817 -0.831 559 H LEU 81 H LEU 81 -10.882 -4.692 -0.143 560 HA LEU 81 HA LEU 81 -12.195 -5.664 2.287 561 HB2 LEU 81 1HB LEU 81 -12.859 -3.350 0.472 562 HB3 LEU 81 2HB LEU 81 -13.744 -3.777 1.934 563 HG LEU 81 HG LEU 81 -11.398 -3.458 3.071 564 HD11 LEU 81 1HD1 LEU 81 -10.067 -1.725 2.016 565 HD12 LEU 81 2HD1 LEU 81 -11.160 -1.700 0.633 566 HD13 LEU 81 3HD1 LEU 81 -10.188 -3.134 0.962 567 HD21 LEU 81 1HD2 LEU 81 -12.165 -0.801 2.705 568 HD22 LEU 81 2HD2 LEU 81 -12.675 -1.892 3.995 569 HD23 LEU 81 3HD2 LEU 81 -13.648 -1.740 2.530 570 H SER 82 H SER 82 -14.217 -6.604 2.286 571 HA SER 82 HA SER 82 -15.350 -7.281 -0.346 572 HB2 SER 82 1HB SER 82 -15.757 -9.533 0.334 573 HB3 SER 82 2HB SER 82 -14.078 -9.187 0.748 574 HG SER 82 HG SER 82 -14.669 -9.850 2.655 575 H VAL 83 H VAL 83 -17.604 -8.535 0.281 576 HA VAL 83 HA VAL 83 -19.174 -6.441 1.550 577 HB VAL 83 HB VAL 83 -21.132 -7.790 0.750 578 HG11 VAL 83 1HG1 VAL 83 -20.744 -7.282 -1.662 579 HG12 VAL 83 2HG1 VAL 83 -20.373 -5.943 -0.573 580 HG13 VAL 83 3HG1 VAL 83 -19.067 -6.909 -1.261 581 HG21 VAL 83 1HG2 VAL 83 -19.085 -9.396 -0.764 582 HG22 VAL 83 2HG2 VAL 83 -19.842 -9.956 0.727 583 HG23 VAL 83 3HG2 VAL 83 -20.830 -9.645 -0.700 584 H VAL 84 H VAL 84 -17.553 -9.011 2.684 585 HA VAL 84 HA VAL 84 -19.587 -9.617 4.733 586 HB VAL 84 HB VAL 84 -18.692 -11.501 3.161 587 HG11 VAL 84 1HG1 VAL 84 -16.624 -12.369 3.514 588 HG12 VAL 84 2HG1 VAL 84 -16.278 -10.695 3.954 589 HG13 VAL 84 3HG1 VAL 84 -16.592 -11.891 5.212 590 HG21 VAL 84 1HG2 VAL 84 -18.769 -11.845 6.157 591 HG22 VAL 84 2HG2 VAL 84 -20.165 -11.854 5.078 592 HG23 VAL 84 3HG2 VAL 84 -18.954 -13.131 4.964 593 H GLY 85 H GLY 85 -16.807 -7.938 4.195 594 HA2 GLY 85 1HA GLY 85 -16.337 -7.075 6.727 595 HA3 GLY 85 2HA GLY 85 -15.403 -8.561 6.634 596 H ALA 86 H ALA 86 -13.407 -7.578 6.798 597 HA ALA 86 HA ALA 86 -12.535 -6.177 4.376 598 HB1 ALA 86 1HB ALA 86 -12.108 -4.255 5.399 599 HB2 ALA 86 2HB ALA 86 -12.911 -4.887 6.837 600 HB3 ALA 86 3HB ALA 86 -11.168 -5.077 6.645 601 H GLY 87 H GLY 87 -11.158 -7.643 3.561 602 HA2 GLY 87 1HA GLY 87 -9.754 -9.626 4.791 603 HA3 GLY 87 2HA GLY 87 -9.168 -8.793 3.359 604 HA PRO 88 HA PRO 88 -6.501 -8.010 7.239 605 HB2 PRO 88 1HB PRO 88 -4.463 -9.718 6.695 606 HB3 PRO 88 2HB PRO 88 -5.869 -10.178 7.660 607 HG2 PRO 88 1HG PRO 88 -5.298 -10.712 4.770 608 HG3 PRO 88 2HG PRO 88 -5.969 -11.801 5.998 609 HD2 PRO 88 1HD PRO 88 -7.516 -10.533 4.172 610 HD3 PRO 88 2HD PRO 88 -8.088 -10.911 5.811 611 H PHE 89 H PHE 89 -3.985 -7.564 7.070 612 HA PHE 89 HA PHE 89 -3.629 -5.954 4.642 613 HB2 PHE 89 1HB PHE 89 -2.722 -5.695 7.463 614 HB3 PHE 89 2HB PHE 89 -1.652 -5.073 6.212 615 HD1 PHE 89 2HD PHE 89 -2.886 -3.585 4.392 616 HD2 PHE 89 1HD PHE 89 -4.275 -4.269 8.356 617 HE1 PHE 89 2HE PHE 89 -4.222 -1.521 4.276 618 HE2 PHE 89 1HE PHE 89 -5.614 -2.208 8.247 619 HZ PHE 89 HZ PHE 89 -5.587 -0.830 6.206 620 H SER 90 H SER 90 -1.640 -5.952 3.520 621 HA SER 90 HA SER 90 -0.400 -8.537 3.382 622 HB2 SER 90 1HB SER 90 0.975 -7.460 1.568 623 HB3 SER 90 2HB SER 90 -0.767 -7.371 1.313 624 HG SER 90 HG SER 90 0.924 -5.317 2.303 625 H GLU 91 H GLU 91 2.142 -8.415 3.004 626 HA GLU 91 HA GLU 91 3.275 -7.938 5.544 627 HB2 GLU 91 1HB GLU 91 4.556 -8.483 2.865 628 HB3 GLU 91 2HB GLU 91 5.453 -8.403 4.373 629 HG2 GLU 91 1HG GLU 91 4.169 -10.272 5.255 630 HG3 GLU 91 2HG GLU 91 3.234 -10.343 3.762 631 H VAL 92 H VAL 92 3.691 -6.016 6.394 632 HA VAL 92 HA VAL 92 3.664 -3.566 5.188 633 HB VAL 92 HB VAL 92 5.316 -4.437 7.560 634 HG11 VAL 92 1HG1 VAL 92 4.718 -1.688 7.710 635 HG12 VAL 92 2HG1 VAL 92 6.301 -2.447 7.543 636 HG13 VAL 92 3HG1 VAL 92 5.394 -1.976 6.107 637 HG21 VAL 92 1HG2 VAL 92 3.531 -3.547 8.889 638 HG22 VAL 92 2HG2 VAL 92 2.710 -2.924 7.458 639 HG23 VAL 92 3HG2 VAL 92 2.838 -4.664 7.715 640 H VAL 93 H VAL 93 4.783 -2.856 3.501 641 HA VAL 93 HA VAL 93 7.505 -3.808 3.046 642 HB VAL 93 HB VAL 93 5.677 -2.157 1.299 643 HG11 VAL 93 1HG1 VAL 93 8.505 -3.077 0.935 644 HG12 VAL 93 2HG1 VAL 93 7.449 -2.812 -0.455 645 HG13 VAL 93 3HG1 VAL 93 7.806 -1.482 0.649 646 HG21 VAL 93 1HG2 VAL 93 6.463 -4.672 0.191 647 HG22 VAL 93 2HG2 VAL 93 5.785 -4.929 1.800 648 HG23 VAL 93 3HG2 VAL 93 4.844 -4.084 0.571 649 H ALA 94 H ALA 94 9.070 -2.698 4.017 650 HA ALA 94 HA ALA 94 8.759 0.081 4.716 651 HB1 ALA 94 1HB ALA 94 10.650 -0.154 6.009 652 HB2 ALA 94 2HB ALA 94 10.015 -1.800 6.009 653 HB3 ALA 94 3HB ALA 94 11.355 -1.373 4.945 654 H CYS 95 H CYS 95 10.124 1.788 4.017 655 HA CYS 95 HA CYS 95 11.934 1.422 1.821 656 HB2 CYS 95 1HB CYS 95 10.745 2.522 0.107 657 HB3 CYS 95 2HB CYS 95 9.592 1.384 0.795 658 HG CYS 95 HG CYS 95 7.909 3.130 1.821 659 H VAL 96 H VAL 96 13.474 2.917 1.970 660 HA VAL 96 HA VAL 96 12.872 5.385 3.467 661 HB VAL 96 HB VAL 96 15.499 3.909 3.244 662 HG11 VAL 96 1HG1 VAL 96 15.769 5.772 5.239 663 HG12 VAL 96 2HG1 VAL 96 16.401 5.926 3.598 664 HG13 VAL 96 3HG1 VAL 96 14.846 6.647 4.017 665 HG21 VAL 96 1HG2 VAL 96 15.044 2.920 5.198 666 HG22 VAL 96 2HG2 VAL 96 14.380 4.397 5.893 667 HG23 VAL 96 3HG2 VAL 96 13.366 3.365 4.886 668 H THR 97 H THR 97 12.695 7.060 2.137 669 HA THR 97 HA THR 97 13.578 7.177 -0.503 670 HB THR 97 HB THR 97 13.100 9.549 -0.449 671 HG1 THR 97 1HG THR 97 13.389 9.181 2.332 672 HG21 THR 97 1HG2 THR 97 10.965 8.909 -0.506 673 HG22 THR 97 2HG2 THR 97 10.909 9.120 1.244 674 HG23 THR 97 3HG2 THR 97 11.296 7.543 0.558 675 HA PRO 98 HA PRO 98 17.879 8.060 -0.278 676 HB2 PRO 98 1HB PRO 98 18.196 9.459 -2.583 677 HB3 PRO 98 2HB PRO 98 17.929 7.712 -2.548 678 HG2 PRO 98 1HG PRO 98 15.971 9.918 -3.061 679 HG3 PRO 98 2HG PRO 98 16.154 8.368 -3.901 680 HD2 PRO 98 1HD PRO 98 14.246 8.794 -2.027 681 HD3 PRO 98 2HD PRO 98 15.005 7.208 -2.275 682 HA PRO 99 HA PRO 99 18.329 12.061 1.531 683 HB2 PRO 99 1HB PRO 99 21.033 12.276 1.417 684 HB3 PRO 99 2HB PRO 99 20.201 11.218 2.562 685 HG2 PRO 99 1HG PRO 99 21.495 10.538 -0.049 686 HG3 PRO 99 2HG PRO 99 21.564 9.667 1.494 687 HD2 PRO 99 1HD PRO 99 19.940 8.908 -0.535 688 HD3 PRO 99 2HD PRO 99 19.508 8.677 1.172 689 H SER 100 H SER 100 18.296 14.120 0.828 690 HA SER 100 HA SER 100 19.063 14.613 -1.958 691 HB2 SER 100 1HB SER 100 16.776 15.198 -1.473 692 HB3 SER 100 2HB SER 100 17.265 16.144 -0.066 693 HG SER 100 HG SER 100 16.853 17.462 -1.895 694 H SER 101 H SER 101 21.256 14.967 -1.803 695 HA SER 101 HA SER 101 22.094 17.257 -0.149 696 HB2 SER 101 1HB SER 101 23.544 14.760 -0.992 697 HB3 SER 101 2HB SER 101 24.436 16.205 -0.521 698 HG SER 101 HG SER 101 22.945 14.455 1.021 699 H GLY 102 H GLY 102 21.917 18.974 -1.492 700 HA2 GLY 102 1HA GLY 102 22.516 20.422 -3.173 701 HA3 GLY 102 2HA GLY 102 23.862 19.345 -3.517 702 HA PRO 103 HA PRO 103 20.218 19.056 -6.660 703 HB2 PRO 103 1HB PRO 103 20.866 21.024 -8.415 704 HB3 PRO 103 2HB PRO 103 19.770 21.275 -7.050 705 HG2 PRO 103 1HG PRO 103 22.675 21.954 -7.298 706 HG3 PRO 103 2HG PRO 103 21.357 22.915 -6.605 707 HD2 PRO 103 1HD PRO 103 23.093 21.510 -5.075 708 HD3 PRO 103 2HD PRO 103 21.401 21.768 -4.606 709 H SER 104 H SER 104 21.016 17.192 -7.503 710 HA SER 104 HA SER 104 23.152 17.454 -9.503 711 HB2 SER 104 1HB SER 104 23.821 16.383 -7.202 712 HB3 SER 104 2HB SER 104 22.982 14.968 -7.836 713 HG SER 104 HG SER 104 24.749 14.585 -8.886 714 H SER 105 H SER 105 21.859 17.286 -11.270 715 HA SER 105 HA SER 105 20.461 14.724 -11.617 716 HB2 SER 105 1HB SER 105 19.378 17.490 -12.072 717 HB3 SER 105 2HB SER 105 18.772 16.131 -13.017 718 HG SER 105 HG SER 105 17.483 16.033 -11.316 719 H GLY 106 H GLY 106 20.132 14.122 -13.875 720 HA2 GLY 106 1HA GLY 106 21.529 15.568 -15.935 721 HA3 GLY 106 2HA GLY 106 22.380 14.120 -15.414 Start of MODEL 10 1 H1 GLY 1 H GLY 1 -15.504 -28.711 -4.035 2 HA2 GLY 1 1HA GLY 1 -16.031 -26.094 -3.381 3 HA3 GLY 1 2HA GLY 1 -16.868 -27.464 -2.666 4 H SER 2 H SER 2 -15.804 -24.779 -1.649 5 HA SER 2 HA SER 2 -13.869 -25.560 0.348 6 HB2 SER 2 1HB SER 2 -13.946 -23.231 1.056 7 HB3 SER 2 2HB SER 2 -13.821 -23.308 -0.702 8 HG SER 2 HG SER 2 -15.423 -21.807 0.136 9 H SER 3 H SER 3 -14.213 -25.350 2.633 10 HA SER 3 HA SER 3 -16.869 -26.259 3.408 11 HB2 SER 3 1HB SER 3 -15.755 -26.688 5.626 12 HB3 SER 3 2HB SER 3 -15.053 -27.574 4.272 13 HG SER 3 HG SER 3 -13.342 -26.708 5.319 14 H GLY 4 H GLY 4 -14.508 -23.919 4.721 15 HA2 GLY 4 1HA GLY 4 -16.674 -22.009 5.144 16 HA3 GLY 4 2HA GLY 4 -15.836 -22.577 6.581 17 H SER 5 H SER 5 -15.430 -20.866 3.526 18 HA SER 5 HA SER 5 -13.047 -19.561 4.671 19 HB2 SER 5 1HB SER 5 -12.767 -21.110 2.600 20 HB3 SER 5 2HB SER 5 -13.509 -19.782 1.708 21 HG SER 5 HG SER 5 -11.774 -18.510 2.936 22 H SER 6 H SER 6 -13.947 -17.731 5.480 23 HA SER 6 HA SER 6 -15.715 -16.150 3.761 24 HB2 SER 6 1HB SER 6 -15.054 -15.978 6.704 25 HB3 SER 6 2HB SER 6 -16.024 -14.769 5.863 26 HG SER 6 HG SER 6 -16.625 -17.443 6.456 27 H GLY 7 H GLY 7 -14.301 -15.221 2.305 28 HA2 GLY 7 1HA GLY 7 -13.314 -12.941 2.114 29 HA3 GLY 7 2HA GLY 7 -12.300 -13.387 3.478 30 HA PRO 8 HA PRO 8 -10.486 -14.604 -0.796 31 HB2 PRO 8 1HB PRO 8 -8.933 -12.432 -1.291 32 HB3 PRO 8 2HB PRO 8 -10.596 -12.577 -1.873 33 HG2 PRO 8 1HG PRO 8 -9.546 -11.104 0.512 34 HG3 PRO 8 2HG PRO 8 -10.757 -10.590 -0.675 35 HD2 PRO 8 1HD PRO 8 -11.426 -11.547 1.768 36 HD3 PRO 8 2HD PRO 8 -12.442 -11.798 0.333 37 H ASP 9 H ASP 9 -8.054 -14.686 -1.270 38 HA ASP 9 HA ASP 9 -6.729 -15.579 1.122 39 HB2 ASP 9 1HB ASP 9 -4.884 -16.191 -0.439 40 HB3 ASP 9 2HB ASP 9 -6.442 -16.873 -0.897 41 H GLN 10 H GLN 10 -4.541 -14.902 1.709 42 HA GLN 10 HA GLN 10 -4.292 -12.274 2.363 43 HB2 GLN 10 1HB GLN 10 -2.827 -13.938 3.310 44 HB3 GLN 10 2HB GLN 10 -2.088 -14.244 1.744 45 HG2 GLN 10 1HG GLN 10 -1.011 -12.139 1.736 46 HG3 GLN 10 2HG GLN 10 -1.950 -11.578 3.117 47 HE21 GLN 10 1HE2 GLN 10 0.552 -11.191 3.490 48 HE22 GLN 10 2HE2 GLN 10 1.295 -12.383 4.496 49 H CYS 11 H CYS 11 -2.918 -10.547 1.580 50 HA CYS 11 HA CYS 11 -2.795 -10.509 -1.360 51 HB2 CYS 11 1HB CYS 11 -2.911 -8.143 0.521 52 HB3 CYS 11 2HB CYS 11 -3.027 -8.100 -1.235 53 HG CYS 11 HG CYS 11 -5.361 -10.103 -0.148 54 H LYS 12 H LYS 12 -0.905 -10.162 -2.370 55 HA LYS 12 HA LYS 12 1.524 -10.335 -0.905 56 HB2 LYS 12 1HB LYS 12 2.620 -10.343 -3.009 57 HB3 LYS 12 2HB LYS 12 1.106 -11.204 -3.247 58 HG2 LYS 12 1HG LYS 12 0.231 -9.586 -4.588 59 HG3 LYS 12 2HG LYS 12 1.149 -8.292 -3.814 60 HD2 LYS 12 1HD LYS 12 3.196 -9.572 -4.871 61 HD3 LYS 12 2HD LYS 12 1.960 -10.174 -5.979 62 HE2 LYS 12 1HE LYS 12 1.348 -7.914 -6.579 63 HE3 LYS 12 2HE LYS 12 2.473 -7.261 -5.390 64 HZ1 LYS 12 1HZ LYS 12 2.971 -8.121 -8.057 65 HZ2 LYS 12 2HZ LYS 12 3.983 -8.923 -6.965 66 HZ3 LYS 12 3HZ LYS 12 3.965 -7.233 -7.014 67 HA PRO 13 HA PRO 13 2.504 -6.123 -0.145 68 HB2 PRO 13 1HB PRO 13 5.212 -6.187 -0.326 69 HB3 PRO 13 2HB PRO 13 4.323 -6.888 1.032 70 HG2 PRO 13 1HG PRO 13 5.478 -8.239 -1.377 71 HG3 PRO 13 2HG PRO 13 5.514 -8.754 0.320 72 HD2 PRO 13 1HD PRO 13 3.772 -9.784 -1.479 73 HD3 PRO 13 2HD PRO 13 3.370 -9.598 0.240 74 HA PRO 14 HA PRO 14 2.776 -4.230 -4.147 75 HB2 PRO 14 1HB PRO 14 2.922 -1.655 -3.298 76 HB3 PRO 14 2HB PRO 14 1.421 -2.588 -3.284 77 HG2 PRO 14 1HG PRO 14 3.318 -2.018 -1.040 78 HG3 PRO 14 2HG PRO 14 1.545 -1.985 -1.042 79 HD2 PRO 14 1HD PRO 14 2.963 -4.071 -0.057 80 HD3 PRO 14 2HD PRO 14 1.377 -4.275 -0.829 81 H GLN 15 H GLN 15 4.239 -2.881 -5.390 82 HA GLN 15 HA GLN 15 6.992 -3.080 -4.396 83 HB2 GLN 15 1HB GLN 15 6.086 -4.065 -6.670 84 HB3 GLN 15 2HB GLN 15 6.345 -2.421 -7.236 85 HG2 GLN 15 1HG GLN 15 8.636 -2.538 -6.938 86 HG3 GLN 15 2HG GLN 15 8.519 -3.883 -5.804 87 HE21 GLN 15 1HE2 GLN 15 9.396 -3.061 -8.844 88 HE22 GLN 15 2HE2 GLN 15 9.240 -4.596 -9.624 89 H VAL 16 H VAL 16 7.696 -1.275 -3.464 90 HA VAL 16 HA VAL 16 6.650 1.315 -4.183 91 HB VAL 16 HB VAL 16 8.453 2.094 -2.514 92 HG11 VAL 16 1HG1 VAL 16 6.408 0.222 -1.359 93 HG12 VAL 16 2HG1 VAL 16 6.995 1.753 -0.707 94 HG13 VAL 16 3HG1 VAL 16 5.954 1.741 -2.131 95 HG21 VAL 16 1HG2 VAL 16 8.424 -0.648 -1.406 96 HG22 VAL 16 2HG2 VAL 16 9.472 -0.367 -2.797 97 HG23 VAL 16 3HG2 VAL 16 9.674 0.594 -1.331 98 H THR 17 H THR 17 7.400 2.500 -5.799 99 HA THR 17 HA THR 17 10.183 2.096 -6.680 100 HB THR 17 HB THR 17 7.804 3.075 -8.270 101 HG1 THR 17 1HG THR 17 9.354 0.795 -8.865 102 HG21 THR 17 1HG2 THR 17 9.639 2.657 -10.142 103 HG22 THR 17 2HG2 THR 17 10.727 3.073 -8.816 104 HG23 THR 17 3HG2 THR 17 9.482 4.213 -9.327 105 H CYS 18 H CYS 18 11.121 3.608 -5.295 106 HA CYS 18 HA CYS 18 10.247 6.178 -4.756 107 HB2 CYS 18 1HB CYS 18 12.612 6.698 -4.236 108 HB3 CYS 18 2HB CYS 18 12.090 5.170 -3.537 109 HG CYS 18 HG CYS 18 13.558 4.939 -6.553 110 H ARG 19 H ARG 19 9.840 7.824 -6.061 111 HA ARG 19 HA ARG 19 10.955 7.890 -8.736 112 HB2 ARG 19 1HB ARG 19 8.915 9.594 -7.309 113 HB3 ARG 19 2HB ARG 19 9.484 9.951 -8.935 114 HG2 ARG 19 1HG ARG 19 8.455 7.221 -8.385 115 HG3 ARG 19 2HG ARG 19 7.296 8.547 -8.501 116 HD2 ARG 19 1HD ARG 19 9.371 7.877 -10.587 117 HD3 ARG 19 2HD ARG 19 7.679 7.383 -10.655 118 HE ARG 19 HE ARG 19 7.455 10.036 -10.414 119 HH11 ARG 19 1HH1 ARG 19 9.447 8.070 -12.487 120 HH12 ARG 19 2HH1 ARG 19 9.477 9.230 -13.774 121 HH21 ARG 19 1HH2 ARG 19 7.489 11.569 -12.101 122 HH22 ARG 19 2HH2 ARG 19 8.365 11.220 -13.553 123 H SER 20 H SER 20 11.067 9.827 -5.779 124 HA SER 20 HA SER 20 13.631 10.908 -6.559 125 HB2 SER 20 1HB SER 20 11.139 12.537 -6.594 126 HB3 SER 20 2HB SER 20 12.585 13.285 -5.917 127 HG SER 20 HG SER 20 13.599 12.460 -7.969 128 H ALA 21 H ALA 21 14.092 12.789 -4.755 129 HA ALA 21 HA ALA 21 14.483 11.421 -2.360 130 HB1 ALA 21 1HB ALA 21 15.429 13.367 -1.534 131 HB2 ALA 21 2HB ALA 21 15.612 13.563 -3.278 132 HB3 ALA 21 3HB ALA 21 14.318 14.408 -2.425 133 H THR 22 H THR 22 11.842 13.478 -3.409 134 HA THR 22 HA THR 22 10.438 12.856 -0.892 135 HB THR 22 HB THR 22 9.274 14.980 -1.014 136 HG1 THR 22 1HG THR 22 10.829 15.395 -3.368 137 HG21 THR 22 1HG2 THR 22 12.051 15.912 -1.441 138 HG22 THR 22 2HG2 THR 22 11.814 14.680 -0.201 139 HG23 THR 22 3HG2 THR 22 10.949 16.212 -0.098 140 H CYS 23 H CYS 23 10.471 11.455 -3.500 141 HA CYS 23 HA CYS 23 7.575 11.525 -3.984 142 HB2 CYS 23 1HB CYS 23 9.667 11.258 -6.153 143 HB3 CYS 23 2HB CYS 23 7.923 11.243 -6.381 144 HG CYS 23 HG CYS 23 7.862 13.960 -5.169 145 H ALA 24 H ALA 24 6.628 9.549 -4.530 146 HA ALA 24 HA ALA 24 8.246 7.175 -4.801 147 HB1 ALA 24 1HB ALA 24 6.430 6.630 -2.645 148 HB2 ALA 24 2HB ALA 24 8.180 6.412 -2.718 149 HB3 ALA 24 3HB ALA 24 7.503 7.963 -2.218 150 H GLN 25 H GLN 25 6.923 5.234 -5.169 151 HA GLN 25 HA GLN 25 4.139 5.769 -5.893 152 HB2 GLN 25 1HB GLN 25 5.288 6.144 -7.963 153 HB3 GLN 25 2HB GLN 25 6.245 4.682 -7.764 154 HG2 GLN 25 1HG GLN 25 4.702 3.942 -9.257 155 HG3 GLN 25 2HG GLN 25 3.881 3.534 -7.752 156 HE21 GLN 25 1HE2 GLN 25 2.009 3.563 -9.236 157 HE22 GLN 25 2HE2 GLN 25 1.199 5.067 -9.489 158 H VAL 26 H VAL 26 2.785 4.059 -5.615 159 HA VAL 26 HA VAL 26 4.015 1.536 -4.712 160 HB VAL 26 HB VAL 26 1.331 2.609 -3.842 161 HG11 VAL 26 1HG1 VAL 26 1.656 0.147 -3.775 162 HG12 VAL 26 2HG1 VAL 26 3.015 0.397 -2.677 163 HG13 VAL 26 3HG1 VAL 26 1.387 0.869 -2.188 164 HG21 VAL 26 1HG2 VAL 26 2.353 3.245 -1.756 165 HG22 VAL 26 2HG2 VAL 26 3.918 2.633 -2.292 166 HG23 VAL 26 3HG2 VAL 26 3.206 4.043 -3.077 167 H ASN 27 H ASN 27 3.061 -0.408 -5.340 168 HA ASN 27 HA ASN 27 0.807 -0.321 -7.185 169 HB2 ASN 27 1HB ASN 27 3.597 -1.126 -7.922 170 HB3 ASN 27 2HB ASN 27 2.234 -1.939 -8.685 171 HD21 ASN 27 1HD2 ASN 27 4.393 0.271 -9.312 172 HD22 ASN 27 2HD2 ASN 27 3.483 1.394 -10.258 173 H TRP 28 H TRP 28 -0.553 -1.922 -6.745 174 HA TRP 28 HA TRP 28 0.513 -4.379 -5.517 175 HB2 TRP 28 1HB TRP 28 -1.570 -4.491 -4.151 176 HB3 TRP 28 2HB TRP 28 -0.551 -3.109 -3.757 177 HD1 TRP 28 HD TRP 28 -3.983 -4.009 -5.073 178 HE1 TRP 28 1HE TRP 28 -5.382 -1.865 -5.329 179 HE3 TRP 28 3HE TRP 28 -0.303 -0.544 -4.308 180 HZ2 TRP 28 2HZ TRP 28 -4.980 0.927 -5.221 181 HZ3 TRP 28 3HZ TRP 28 -0.894 1.843 -4.400 182 HH2 TRP 28 HH TRP 28 -3.184 2.562 -4.849 183 H GLU 29 H GLU 29 -1.510 -6.033 -5.467 184 HA GLU 29 HA GLU 29 -2.933 -5.935 -8.015 185 HB2 GLU 29 1HB GLU 29 -2.133 -7.988 -8.822 186 HB3 GLU 29 2HB GLU 29 -0.693 -7.154 -8.257 187 HG2 GLU 29 1HG GLU 29 -0.591 -8.481 -6.293 188 HG3 GLU 29 2HG GLU 29 -2.186 -9.166 -6.599 189 H VAL 30 H VAL 30 -4.401 -7.961 -8.181 190 HA VAL 30 HA VAL 30 -5.796 -8.186 -5.618 191 HB VAL 30 HB VAL 30 -6.765 -9.049 -8.344 192 HG11 VAL 30 1HG1 VAL 30 -8.956 -9.083 -7.329 193 HG12 VAL 30 2HG1 VAL 30 -7.862 -10.117 -6.406 194 HG13 VAL 30 3HG1 VAL 30 -8.290 -8.517 -5.798 195 HG21 VAL 30 1HG2 VAL 30 -6.983 -6.427 -6.902 196 HG22 VAL 30 2HG2 VAL 30 -6.496 -6.738 -8.569 197 HG23 VAL 30 3HG2 VAL 30 -8.184 -6.923 -8.096 198 HA PRO 31 HA PRO 31 -4.349 -12.322 -5.037 199 HB2 PRO 31 1HB PRO 31 -6.130 -13.060 -3.126 200 HB3 PRO 31 2HB PRO 31 -4.768 -11.980 -2.804 201 HG2 PRO 31 1HG PRO 31 -7.640 -11.307 -3.312 202 HG3 PRO 31 2HG PRO 31 -6.528 -10.631 -2.107 203 HD2 PRO 31 1HD PRO 31 -7.112 -9.358 -4.424 204 HD3 PRO 31 2HD PRO 31 -5.529 -9.222 -3.632 205 H LEU 32 H LEU 32 -5.366 -14.576 -4.849 206 HA LEU 32 HA LEU 32 -6.961 -15.018 -7.171 207 HB2 LEU 32 1HB LEU 32 -6.098 -16.895 -4.975 208 HB3 LEU 32 2HB LEU 32 -6.888 -17.394 -6.469 209 HG LEU 32 HG LEU 32 -4.298 -15.890 -6.552 210 HD11 LEU 32 1HD1 LEU 32 -3.888 -18.707 -6.813 211 HD12 LEU 32 2HD1 LEU 32 -4.624 -18.361 -5.250 212 HD13 LEU 32 3HD1 LEU 32 -3.120 -17.566 -5.711 213 HD21 LEU 32 1HD2 LEU 32 -4.275 -16.452 -8.726 214 HD22 LEU 32 2HD2 LEU 32 -6.007 -16.703 -8.499 215 HD23 LEU 32 3HD2 LEU 32 -4.898 -18.074 -8.419 216 H SER 33 H SER 33 -8.900 -13.890 -6.759 217 HA SER 33 HA SER 33 -10.734 -15.343 -4.978 218 HB2 SER 33 1HB SER 33 -11.779 -13.235 -4.298 219 HB3 SER 33 2HB SER 33 -10.066 -13.235 -3.877 220 HG SER 33 HG SER 33 -10.534 -11.283 -4.837 221 H ASN 34 H ASN 34 -12.343 -16.166 -6.121 222 HA ASN 34 HA ASN 34 -13.128 -14.836 -8.624 223 HB2 ASN 34 1HB ASN 34 -14.023 -17.006 -9.326 224 HB3 ASN 34 2HB ASN 34 -12.324 -17.146 -8.883 225 HD21 ASN 34 1HD2 ASN 34 -11.841 -17.979 -6.743 226 HD22 ASN 34 2HD2 ASN 34 -12.908 -19.137 -6.032 227 H GLY 35 H GLY 35 -14.504 -16.588 -5.843 228 HA2 GLY 35 1HA GLY 35 -17.197 -16.106 -6.371 229 HA3 GLY 35 2HA GLY 35 -16.521 -16.367 -4.770 230 H THR 36 H THR 36 -15.886 -14.566 -3.517 231 HA THR 36 HA THR 36 -17.527 -12.250 -3.951 232 HB THR 36 HB THR 36 -17.129 -13.169 -1.683 233 HG1 THR 36 1HG THR 36 -17.144 -11.177 -0.791 234 HG21 THR 36 1HG2 THR 36 -14.840 -13.837 -1.791 235 HG22 THR 36 2HG2 THR 36 -14.948 -12.553 -0.588 236 HG23 THR 36 3HG2 THR 36 -14.319 -12.203 -2.198 237 H ASP 37 H ASP 37 -16.932 -10.223 -4.555 238 HA ASP 37 HA ASP 37 -14.235 -9.937 -5.658 239 HB2 ASP 37 1HB ASP 37 -16.374 -9.477 -7.009 240 HB3 ASP 37 2HB ASP 37 -16.511 -8.005 -6.052 241 H VAL 38 H VAL 38 -12.975 -8.065 -5.263 242 HA VAL 38 HA VAL 38 -13.127 -7.142 -2.552 243 HB VAL 38 HB VAL 38 -11.280 -6.145 -4.721 244 HG11 VAL 38 1HG1 VAL 38 -10.801 -6.260 -1.754 245 HG12 VAL 38 2HG1 VAL 38 -9.884 -5.380 -2.978 246 HG13 VAL 38 3HG1 VAL 38 -11.513 -4.857 -2.551 247 HG21 VAL 38 1HG2 VAL 38 -9.724 -7.840 -4.125 248 HG22 VAL 38 2HG2 VAL 38 -10.719 -8.369 -2.768 249 HG23 VAL 38 3HG2 VAL 38 -11.265 -8.645 -4.423 250 H THR 39 H THR 39 -14.621 -5.677 -2.024 251 HA THR 39 HA THR 39 -15.950 -3.907 -3.654 252 HB THR 39 HB THR 39 -16.326 -2.521 -1.572 253 HG1 THR 39 1HG THR 39 -14.689 -4.566 -0.444 254 HG21 THR 39 1HG2 THR 39 -17.343 -4.618 -0.321 255 HG22 THR 39 2HG2 THR 39 -16.919 -5.429 -1.828 256 HG23 THR 39 3HG2 THR 39 -18.015 -4.048 -1.848 257 H GLU 40 H GLU 40 -13.279 -2.982 -1.469 258 HA GLU 40 HA GLU 40 -12.259 -1.166 -3.508 259 HB2 GLU 40 1HB GLU 40 -12.265 0.769 -2.098 260 HB3 GLU 40 2HB GLU 40 -13.900 0.123 -2.125 261 HG2 GLU 40 1HG GLU 40 -13.578 0.635 0.101 262 HG3 GLU 40 2HG GLU 40 -13.226 -1.091 0.039 263 H TYR 41 H TYR 41 -10.199 -0.051 -2.616 264 HA TYR 41 HA TYR 41 -8.712 -1.974 -0.951 265 HB2 TYR 41 1HB TYR 41 -7.643 -0.498 -3.366 266 HB3 TYR 41 2HB TYR 41 -6.743 -1.622 -2.355 267 HD1 TYR 41 1HD TYR 41 -9.905 -1.533 -4.353 268 HD2 TYR 41 2HD TYR 41 -6.508 -3.782 -3.124 269 HE1 TYR 41 1HE TYR 41 -10.622 -3.392 -5.795 270 HE2 TYR 41 2HE TYR 41 -7.215 -5.647 -4.564 271 HH TYR 41 HH TYR 41 -9.052 -5.522 -6.968 272 H ARG 42 H ARG 42 -8.117 -1.035 0.877 273 HA ARG 42 HA ARG 42 -7.638 1.860 0.912 274 HB2 ARG 42 1HB ARG 42 -8.549 -0.125 2.933 275 HB3 ARG 42 2HB ARG 42 -7.610 1.245 3.508 276 HG2 ARG 42 1HG ARG 42 -9.215 2.793 2.769 277 HG3 ARG 42 2HG ARG 42 -10.031 1.588 1.771 278 HD2 ARG 42 1HD ARG 42 -10.702 0.381 3.799 279 HD3 ARG 42 2HD ARG 42 -9.901 1.604 4.785 280 HE ARG 42 HE ARG 42 -11.758 2.864 3.100 281 HH11 ARG 42 1HH1 ARG 42 -11.653 0.736 5.853 282 HH12 ARG 42 2HH1 ARG 42 -13.177 1.263 6.484 283 HH21 ARG 42 1HH2 ARG 42 -13.767 3.567 3.920 284 HH22 ARG 42 2HH2 ARG 42 -14.380 2.874 5.383 285 H LEU 43 H LEU 43 -5.581 2.410 0.637 286 HA LEU 43 HA LEU 43 -3.464 0.626 1.577 287 HB2 LEU 43 1HB LEU 43 -3.297 1.394 -0.711 288 HB3 LEU 43 2HB LEU 43 -3.383 3.073 -0.182 289 HG LEU 43 HG LEU 43 -1.204 2.531 1.106 290 HD11 LEU 43 1HD1 LEU 43 -1.186 0.148 0.856 291 HD12 LEU 43 2HD1 LEU 43 0.168 0.817 -0.056 292 HD13 LEU 43 3HD1 LEU 43 -1.287 0.284 -0.899 293 HD21 LEU 43 1HD2 LEU 43 -1.529 3.978 -0.952 294 HD22 LEU 43 2HD2 LEU 43 -1.015 2.579 -1.896 295 HD23 LEU 43 3HD2 LEU 43 0.080 3.298 -0.715 296 H GLU 44 H GLU 44 -2.481 0.981 3.446 297 HA GLU 44 HA GLU 44 -2.779 3.598 4.729 298 HB2 GLU 44 1HB GLU 44 -2.380 0.820 5.704 299 HB3 GLU 44 2HB GLU 44 -1.670 2.111 6.661 300 HG2 GLU 44 1HG GLU 44 -4.040 3.176 6.469 301 HG3 GLU 44 2HG GLU 44 -4.536 1.524 6.106 302 H TRP 45 H TRP 45 -1.135 4.972 4.845 303 HA TRP 45 HA TRP 45 1.607 3.934 4.665 304 HB2 TRP 45 1HB TRP 45 1.034 4.740 2.441 305 HB3 TRP 45 2HB TRP 45 0.494 6.278 3.109 306 HD1 TRP 45 HD TRP 45 2.606 7.631 4.514 307 HE1 TRP 45 1HE TRP 45 5.018 7.972 3.681 308 HE3 TRP 45 3HE TRP 45 2.803 3.883 1.042 309 HZ2 TRP 45 2HZ TRP 45 6.771 6.806 1.801 310 HZ3 TRP 45 3HZ TRP 45 4.884 3.563 -0.231 311 HH2 TRP 45 HH TRP 45 6.825 4.996 0.141 312 H GLY 46 H GLY 46 2.922 4.722 6.186 313 HA2 GLY 46 1HA GLY 46 2.457 7.378 7.294 314 HA3 GLY 46 2HA GLY 46 2.298 6.032 8.412 315 H GLY 47 H GLY 47 4.306 8.373 7.804 316 HA2 GLY 47 1HA GLY 47 6.789 7.596 7.108 317 HA3 GLY 47 2HA GLY 47 6.504 8.646 8.489 318 H VAL 48 H VAL 48 5.732 7.318 10.505 319 HA VAL 48 HA VAL 48 7.752 5.231 10.890 320 HB VAL 48 HB VAL 48 6.239 6.995 12.794 321 HG11 VAL 48 1HG1 VAL 48 7.531 5.667 14.586 322 HG12 VAL 48 2HG1 VAL 48 6.043 4.975 13.936 323 HG13 VAL 48 3HG1 VAL 48 7.609 4.392 13.369 324 HG21 VAL 48 1HG2 VAL 48 9.037 6.660 11.889 325 HG22 VAL 48 2HG2 VAL 48 8.150 8.123 12.318 326 HG23 VAL 48 3HG2 VAL 48 8.790 7.075 13.585 327 H GLU 49 H GLU 49 7.219 3.155 11.079 328 HA GLU 49 HA GLU 49 4.723 2.123 10.540 329 HB2 GLU 49 1HB GLU 49 5.547 -0.004 11.305 330 HB3 GLU 49 2HB GLU 49 6.864 0.848 10.509 331 HG2 GLU 49 1HG GLU 49 7.947 0.069 12.349 332 HG3 GLU 49 2HG GLU 49 7.405 1.633 12.955 333 H GLY 50 H GLY 50 6.078 3.102 13.627 334 HA2 GLY 50 1HA GLY 50 4.326 1.906 15.402 335 HA3 GLY 50 2HA GLY 50 5.074 3.476 15.658 336 H SER 51 H SER 51 3.842 4.822 13.471 337 HA SER 51 HA SER 51 0.996 4.728 14.200 338 HB2 SER 51 1HB SER 51 1.720 6.570 15.469 339 HB3 SER 51 2HB SER 51 2.833 7.112 14.213 340 HG SER 51 HG SER 51 0.135 7.009 13.547 341 H MET 52 H MET 52 0.203 3.931 12.327 342 HA MET 52 HA MET 52 0.791 5.457 9.875 343 HB2 MET 52 1HB MET 52 0.427 2.499 10.273 344 HB3 MET 52 2HB MET 52 0.162 3.246 8.703 345 HG2 MET 52 1HG MET 52 2.413 3.931 8.540 346 HG3 MET 52 2HG MET 52 2.721 3.565 10.236 347 HE1 MET 52 1HE MET 52 0.876 0.994 7.516 348 HE2 MET 52 2HE MET 52 1.792 2.336 6.832 349 HE3 MET 52 3HE MET 52 2.418 0.691 6.716 350 H GLN 53 H GLN 53 -0.943 5.653 8.352 351 HA GLN 53 HA GLN 53 -3.612 4.924 9.251 352 HB2 GLN 53 1HB GLN 53 -4.416 7.281 8.874 353 HB3 GLN 53 2HB GLN 53 -3.426 7.049 10.308 354 HG2 GLN 53 1HG GLN 53 -1.579 8.113 9.343 355 HG3 GLN 53 2HG GLN 53 -2.254 7.999 7.719 356 HE21 GLN 53 1HE2 GLN 53 -4.499 9.101 7.583 357 HE22 GLN 53 2HE2 GLN 53 -4.575 10.689 8.259 358 H ILE 54 H ILE 54 -5.269 5.752 7.556 359 HA ILE 54 HA ILE 54 -4.353 4.795 4.994 360 HB ILE 54 HB ILE 54 -7.063 5.739 5.927 361 HG12 ILE 54 1HG1 ILE 54 -5.783 3.048 5.507 362 HG13 ILE 54 2HG1 ILE 54 -6.612 3.660 6.934 363 HG21 ILE 54 1HG2 ILE 54 -6.659 6.155 3.501 364 HG22 ILE 54 2HG2 ILE 54 -6.397 4.424 3.300 365 HG23 ILE 54 3HG2 ILE 54 -7.969 5.021 3.832 366 HD11 ILE 54 1HD1 ILE 54 -8.734 3.447 5.881 367 HD12 ILE 54 2HD1 ILE 54 -7.987 3.083 4.325 368 HD13 ILE 54 3HD1 ILE 54 -7.861 1.931 5.655 369 H CYS 55 H CYS 55 -4.124 5.939 3.124 370 HA CYS 55 HA CYS 55 -4.513 8.854 3.285 371 HB2 CYS 55 1HB CYS 55 -2.154 7.274 2.342 372 HB3 CYS 55 2HB CYS 55 -2.505 8.819 1.577 373 HG CYS 55 HG CYS 55 -1.836 10.392 3.576 374 H TYR 56 H TYR 56 -4.886 5.936 1.500 375 HA TYR 56 HA TYR 56 -6.360 7.408 -0.561 376 HB2 TYR 56 1HB TYR 56 -4.199 6.967 -1.566 377 HB3 TYR 56 2HB TYR 56 -4.286 5.273 -1.098 378 HD1 TYR 56 2HD TYR 56 -6.136 3.847 -2.130 379 HD2 TYR 56 1HD TYR 56 -5.061 7.683 -3.624 380 HE1 TYR 56 2HE TYR 56 -7.208 3.306 -4.276 381 HE2 TYR 56 1HE TYR 56 -6.130 7.153 -5.774 382 HH TYR 56 HH TYR 56 -8.212 4.545 -6.196 383 H CYS 57 H CYS 57 -8.266 6.512 -1.073 384 HA CYS 57 HA CYS 57 -8.748 3.702 -0.384 385 HB2 CYS 57 1HB CYS 57 -10.573 4.113 0.953 386 HB3 CYS 57 2HB CYS 57 -9.586 5.515 1.347 387 HG CYS 57 HG CYS 57 -12.224 6.365 1.155 388 H GLY 58 H GLY 58 -9.978 2.607 -1.825 389 HA2 GLY 58 1HA GLY 58 -12.031 3.204 -3.381 390 HA3 GLY 58 2HA GLY 58 -10.756 4.056 -4.239 391 HA PRO 59 HA PRO 59 -11.081 -0.461 -5.587 392 HB2 PRO 59 1HB PRO 59 -11.909 0.010 -8.129 393 HB3 PRO 59 2HB PRO 59 -13.030 -0.212 -6.780 394 HG2 PRO 59 1HG PRO 59 -12.079 2.325 -8.054 395 HG3 PRO 59 2HG PRO 59 -13.715 1.878 -7.535 396 HD2 PRO 59 1HD PRO 59 -12.106 3.479 -6.060 397 HD3 PRO 59 2HD PRO 59 -13.286 2.374 -5.326 398 H GLY 60 H GLY 60 -9.599 2.461 -6.611 399 HA2 GLY 60 1HA GLY 60 -8.088 1.851 -8.793 400 HA3 GLY 60 2HA GLY 60 -7.484 2.822 -7.458 401 H LEU 61 H LEU 61 -5.752 1.308 -8.942 402 HA LEU 61 HA LEU 61 -5.014 -0.812 -7.035 403 HB2 LEU 61 1HB LEU 61 -4.669 -0.833 -10.029 404 HB3 LEU 61 2HB LEU 61 -4.011 -2.042 -8.929 405 HG LEU 61 HG LEU 61 -6.952 -1.498 -9.334 406 HD11 LEU 61 1HD1 LEU 61 -5.901 -4.075 -10.182 407 HD12 LEU 61 2HD1 LEU 61 -5.249 -2.724 -11.109 408 HD13 LEU 61 3HD1 LEU 61 -6.993 -2.965 -11.011 409 HD21 LEU 61 1HD2 LEU 61 -5.539 -3.742 -7.896 410 HD22 LEU 61 2HD2 LEU 61 -7.282 -3.536 -8.071 411 HD23 LEU 61 3HD2 LEU 61 -6.350 -2.382 -7.116 412 H SER 62 H SER 62 -4.043 1.853 -9.029 413 HA SER 62 HA SER 62 -1.329 1.669 -7.895 414 HB2 SER 62 1HB SER 62 -0.436 2.668 -9.916 415 HB3 SER 62 2HB SER 62 -1.387 1.250 -10.356 416 HG SER 62 HG SER 62 -3.091 3.189 -10.402 417 H TYR 63 H TYR 63 -0.446 3.503 -7.035 418 HA TYR 63 HA TYR 63 -1.893 6.027 -7.276 419 HB2 TYR 63 1HB TYR 63 -2.904 5.031 -5.317 420 HB3 TYR 63 2HB TYR 63 -1.322 4.660 -4.640 421 HD1 TYR 63 1HD TYR 63 -3.003 7.703 -6.034 422 HD2 TYR 63 2HD TYR 63 -0.740 5.994 -2.862 423 HE1 TYR 63 1HE TYR 63 -2.995 9.874 -4.878 424 HE2 TYR 63 2HE TYR 63 -0.727 8.160 -1.697 425 HH TYR 63 HH TYR 63 -0.997 10.500 -2.158 426 H GLU 64 H GLU 64 -0.651 7.867 -6.766 427 HA GLU 64 HA GLU 64 2.241 7.341 -6.538 428 HB2 GLU 64 1HB GLU 64 1.539 8.227 -8.750 429 HB3 GLU 64 2HB GLU 64 0.898 9.653 -7.949 430 HG2 GLU 64 1HG GLU 64 2.967 10.513 -7.508 431 HG3 GLU 64 2HG GLU 64 3.741 8.929 -7.481 432 H ILE 65 H ILE 65 3.159 8.076 -4.750 433 HA ILE 65 HA ILE 65 1.749 10.102 -3.163 434 HB ILE 65 HB ILE 65 3.856 8.080 -2.423 435 HG12 ILE 65 1HG1 ILE 65 1.167 8.519 -1.144 436 HG13 ILE 65 2HG1 ILE 65 1.337 7.532 -2.591 437 HG21 ILE 65 1HG2 ILE 65 2.722 10.256 -0.670 438 HG22 ILE 65 2HG2 ILE 65 3.846 8.992 -0.174 439 HG23 ILE 65 3HG2 ILE 65 4.358 10.223 -1.329 440 HD11 ILE 65 1HD1 ILE 65 1.433 6.531 -0.129 441 HD12 ILE 65 2HD1 ILE 65 2.332 5.838 -1.479 442 HD13 ILE 65 3HD1 ILE 65 3.142 6.911 -0.338 443 H LYS 66 H LYS 66 2.716 11.986 -2.507 444 HA LYS 66 HA LYS 66 5.476 12.508 -3.317 445 HB2 LYS 66 1HB LYS 66 3.070 14.084 -4.217 446 HB3 LYS 66 2HB LYS 66 4.687 14.775 -4.201 447 HG2 LYS 66 1HG LYS 66 5.362 12.776 -5.639 448 HG3 LYS 66 2HG LYS 66 3.631 12.520 -5.869 449 HD2 LYS 66 1HD LYS 66 4.195 13.840 -7.692 450 HD3 LYS 66 2HD LYS 66 3.600 15.027 -6.530 451 HE2 LYS 66 1HE LYS 66 5.963 15.416 -5.831 452 HE3 LYS 66 2HE LYS 66 6.475 14.357 -7.144 453 HZ1 LYS 66 1HZ LYS 66 4.678 16.376 -8.050 454 HZ2 LYS 66 2HZ LYS 66 6.227 15.990 -8.607 455 HZ3 LYS 66 3HZ LYS 66 6.038 17.053 -7.306 456 H GLY 67 H GLY 67 6.037 14.882 -2.570 457 HA2 GLY 67 1HA GLY 67 6.269 16.373 -0.834 458 HA3 GLY 67 2HA GLY 67 4.647 15.929 -0.326 459 H LEU 68 H LEU 68 7.618 13.994 -0.594 460 HA LEU 68 HA LEU 68 7.248 13.222 2.219 461 HB2 LEU 68 1HB LEU 68 8.862 11.824 0.093 462 HB3 LEU 68 2HB LEU 68 8.510 11.228 1.714 463 HG LEU 68 HG LEU 68 6.424 11.683 -0.417 464 HD11 LEU 68 1HD1 LEU 68 7.728 9.933 -1.260 465 HD12 LEU 68 2HD1 LEU 68 6.407 9.130 -0.409 466 HD13 LEU 68 3HD1 LEU 68 7.999 9.243 0.342 467 HD21 LEU 68 1HD2 LEU 68 6.166 9.989 2.040 468 HD22 LEU 68 2HD2 LEU 68 4.900 10.682 1.027 469 HD23 LEU 68 3HD2 LEU 68 5.845 11.723 2.094 470 H SER 69 H SER 69 9.577 12.362 3.050 471 HA SER 69 HA SER 69 11.427 14.625 2.663 472 HB2 SER 69 1HB SER 69 10.431 14.674 4.891 473 HB3 SER 69 2HB SER 69 10.917 13.002 5.169 474 HG SER 69 HG SER 69 13.133 13.861 4.745 475 HA PRO 70 HA PRO 70 14.438 11.700 1.334 476 HB2 PRO 70 1HB PRO 70 16.675 13.163 1.808 477 HB3 PRO 70 2HB PRO 70 15.574 13.498 0.466 478 HG2 PRO 70 1HG PRO 70 15.766 14.835 3.137 479 HG3 PRO 70 2HG PRO 70 15.550 15.563 1.534 480 HD2 PRO 70 1HD PRO 70 13.493 15.194 3.256 481 HD3 PRO 70 2HD PRO 70 13.291 15.110 1.494 482 H ALA 71 H ALA 71 16.112 10.337 2.119 483 HA ALA 71 HA ALA 71 16.900 8.891 3.711 484 HB1 ALA 71 1HB ALA 71 18.260 11.198 3.814 485 HB2 ALA 71 2HB ALA 71 17.669 11.131 5.475 486 HB3 ALA 71 3HB ALA 71 18.638 9.806 4.830 487 H THR 72 H THR 72 14.277 8.903 4.039 488 HA THR 72 HA THR 72 13.955 8.877 6.956 489 HB THR 72 HB THR 72 11.868 9.950 5.048 490 HG1 THR 72 1HG THR 72 13.755 11.178 6.747 491 HG21 THR 72 1HG2 THR 72 11.821 9.120 7.875 492 HG22 THR 72 2HG2 THR 72 10.506 9.239 6.706 493 HG23 THR 72 3HG2 THR 72 11.081 10.684 7.535 494 H THR 73 H THR 73 13.001 7.086 7.725 495 HA THR 73 HA THR 73 12.464 4.914 5.953 496 HB THR 73 HB THR 73 11.844 5.096 8.908 497 HG1 THR 73 1HG THR 73 13.919 4.845 9.221 498 HG21 THR 73 1HG2 THR 73 12.361 2.538 8.569 499 HG22 THR 73 2HG2 THR 73 11.878 2.882 6.907 500 HG23 THR 73 3HG2 THR 73 10.755 3.185 8.233 501 H TYR 74 H TYR 74 10.569 4.119 5.221 502 HA TYR 74 HA TYR 74 8.076 5.298 6.234 503 HB2 TYR 74 1HB TYR 74 9.021 5.149 3.387 504 HB3 TYR 74 2HB TYR 74 7.300 5.166 3.758 505 HD1 TYR 74 1HD TYR 74 6.297 7.144 4.868 506 HD2 TYR 74 2HD TYR 74 10.344 7.127 3.556 507 HE1 TYR 74 1HE TYR 74 6.351 9.598 5.021 508 HE2 TYR 74 2HE TYR 74 10.409 9.581 3.707 509 HH TYR 74 HH TYR 74 7.785 11.484 3.838 510 H TYR 75 H TYR 75 6.135 4.035 5.518 511 HA TYR 75 HA TYR 75 6.649 1.239 4.889 512 HB2 TYR 75 1HB TYR 75 5.171 2.053 7.400 513 HB3 TYR 75 2HB TYR 75 5.401 0.408 6.819 514 HD1 TYR 75 2HD TYR 75 7.673 -0.603 6.848 515 HD2 TYR 75 1HD TYR 75 6.879 3.185 8.616 516 HE1 TYR 75 2HE TYR 75 9.774 -0.761 8.116 517 HE2 TYR 75 1HE TYR 75 8.979 3.038 9.889 518 HH TYR 75 HH TYR 75 10.509 0.631 10.640 519 H CYS 76 H CYS 76 4.647 0.034 4.459 520 HA CYS 76 HA CYS 76 2.205 1.523 4.106 521 HB2 CYS 76 1HB CYS 76 2.050 1.304 1.709 522 HB3 CYS 76 2HB CYS 76 3.551 2.138 2.094 523 HG CYS 76 HG CYS 76 3.109 -0.560 0.310 524 H ARG 77 H ARG 77 0.407 0.206 3.758 525 HA ARG 77 HA ARG 77 0.835 -2.667 3.485 526 HB2 ARG 77 1HB ARG 77 -0.585 -3.173 5.422 527 HB3 ARG 77 2HB ARG 77 0.863 -2.294 5.896 528 HG2 ARG 77 1HG ARG 77 -0.436 -0.227 6.029 529 HG3 ARG 77 2HG ARG 77 -1.887 -1.114 5.560 530 HD2 ARG 77 1HD ARG 77 -2.069 -2.161 7.583 531 HD3 ARG 77 2HD ARG 77 -0.333 -2.112 7.885 532 HE ARG 77 HE ARG 77 -1.619 0.466 7.923 533 HH11 ARG 77 1HH1 ARG 77 -0.704 -2.329 9.784 534 HH12 ARG 77 2HH1 ARG 77 -0.717 -1.487 11.299 535 HH21 ARG 77 1HH2 ARG 77 -1.638 1.586 9.910 536 HH22 ARG 77 2HH2 ARG 77 -1.250 0.740 11.369 537 H VAL 78 H VAL 78 -0.627 -3.547 2.170 538 HA VAL 78 HA VAL 78 -3.145 -2.083 1.709 539 HB VAL 78 HB VAL 78 -1.585 -1.964 -0.222 540 HG11 VAL 78 1HG1 VAL 78 -1.265 -4.031 -1.567 541 HG12 VAL 78 2HG1 VAL 78 -0.438 -4.063 -0.008 542 HG13 VAL 78 3HG1 VAL 78 -1.942 -4.958 -0.229 543 HG21 VAL 78 1HG2 VAL 78 -3.301 -2.022 -1.688 544 HG22 VAL 78 2HG2 VAL 78 -3.762 -3.666 -1.251 545 HG23 VAL 78 3HG2 VAL 78 -4.258 -2.312 -0.235 546 H GLN 79 H GLN 79 -5.015 -3.315 1.299 547 HA GLN 79 HA GLN 79 -4.868 -6.204 1.565 548 HB2 GLN 79 1HB GLN 79 -6.256 -6.376 3.479 549 HB3 GLN 79 2HB GLN 79 -5.000 -5.217 3.892 550 HG2 GLN 79 1HG GLN 79 -6.443 -3.470 3.989 551 HG3 GLN 79 2HG GLN 79 -7.522 -4.149 2.772 552 HE21 GLN 79 1HE2 GLN 79 -6.962 -3.681 6.066 553 HE22 GLN 79 2HE2 GLN 79 -8.256 -4.649 6.677 554 H ALA 80 H ALA 80 -7.048 -7.216 1.287 555 HA ALA 80 HA ALA 80 -8.576 -5.671 -0.689 556 HB1 ALA 80 1HB ALA 80 -8.942 -7.581 -1.841 557 HB2 ALA 80 2HB ALA 80 -7.493 -8.107 -0.983 558 HB3 ALA 80 3HB ALA 80 -9.088 -8.563 -0.383 559 H LEU 81 H LEU 81 -10.539 -4.953 -0.202 560 HA LEU 81 HA LEU 81 -11.825 -5.913 2.246 561 HB2 LEU 81 1HB LEU 81 -12.055 -3.434 0.594 562 HB3 LEU 81 2HB LEU 81 -13.368 -3.894 1.676 563 HG LEU 81 HG LEU 81 -11.361 -4.006 3.423 564 HD11 LEU 81 1HD1 LEU 81 -10.111 -1.728 2.703 565 HD12 LEU 81 2HD1 LEU 81 -10.321 -2.488 1.126 566 HD13 LEU 81 3HD1 LEU 81 -9.465 -3.343 2.410 567 HD21 LEU 81 1HD2 LEU 81 -12.826 -2.545 4.246 568 HD22 LEU 81 2HD2 LEU 81 -13.331 -2.033 2.636 569 HD23 LEU 81 3HD2 LEU 81 -11.922 -1.292 3.396 570 H SER 82 H SER 82 -13.616 -7.113 2.225 571 HA SER 82 HA SER 82 -15.041 -7.427 -0.336 572 HB2 SER 82 1HB SER 82 -15.441 -9.733 0.182 573 HB3 SER 82 2HB SER 82 -13.721 -9.438 0.433 574 HG SER 82 HG SER 82 -14.249 -10.425 2.261 575 H VAL 83 H VAL 83 -17.261 -8.694 0.314 576 HA VAL 83 HA VAL 83 -18.677 -6.752 1.961 577 HB VAL 83 HB VAL 83 -20.728 -7.945 1.116 578 HG11 VAL 83 1HG1 VAL 83 -20.150 -5.935 0.035 579 HG12 VAL 83 2HG1 VAL 83 -18.770 -6.674 -0.779 580 HG13 VAL 83 3HG1 VAL 83 -20.412 -7.101 -1.261 581 HG21 VAL 83 1HG2 VAL 83 -20.568 -9.877 0.032 582 HG22 VAL 83 2HG2 VAL 83 -19.472 -9.168 -1.154 583 HG23 VAL 83 3HG2 VAL 83 -18.830 -9.865 0.334 584 H VAL 84 H VAL 84 -16.986 -9.291 2.776 585 HA VAL 84 HA VAL 84 -18.917 -10.182 4.815 586 HB VAL 84 HB VAL 84 -18.302 -11.874 2.931 587 HG11 VAL 84 1HG1 VAL 84 -15.877 -12.097 4.713 588 HG12 VAL 84 2HG1 VAL 84 -16.307 -13.203 3.408 589 HG13 VAL 84 3HG1 VAL 84 -15.886 -11.530 3.045 590 HG21 VAL 84 1HG2 VAL 84 -18.423 -13.729 4.556 591 HG22 VAL 84 2HG2 VAL 84 -18.137 -12.578 5.861 592 HG23 VAL 84 3HG2 VAL 84 -19.602 -12.460 4.887 593 H GLY 85 H GLY 85 -15.642 -9.330 3.975 594 HA2 GLY 85 1HA GLY 85 -15.012 -8.571 6.633 595 HA3 GLY 85 2HA GLY 85 -14.267 -10.119 6.260 596 H ALA 86 H ALA 86 -12.732 -7.918 6.896 597 HA ALA 86 HA ALA 86 -11.708 -6.889 4.354 598 HB1 ALA 86 1HB ALA 86 -11.572 -6.003 7.174 599 HB2 ALA 86 2HB ALA 86 -10.183 -5.635 6.150 600 HB3 ALA 86 3HB ALA 86 -11.788 -5.065 5.697 601 H GLY 87 H GLY 87 -10.187 -8.058 3.384 602 HA2 GLY 87 1HA GLY 87 -8.788 -10.197 4.401 603 HA3 GLY 87 2HA GLY 87 -8.223 -9.210 3.061 604 HA PRO 88 HA PRO 88 -5.550 -8.787 6.991 605 HB2 PRO 88 1HB PRO 88 -3.486 -10.395 6.267 606 HB3 PRO 88 2HB PRO 88 -4.880 -10.976 7.184 607 HG2 PRO 88 1HG PRO 88 -4.315 -11.198 4.252 608 HG3 PRO 88 2HG PRO 88 -4.962 -12.420 5.363 609 HD2 PRO 88 1HD PRO 88 -6.539 -10.996 3.684 610 HD3 PRO 88 2HD PRO 88 -7.095 -11.551 5.277 611 H PHE 89 H PHE 89 -3.621 -7.572 7.083 612 HA PHE 89 HA PHE 89 -3.080 -6.062 4.678 613 HB2 PHE 89 1HB PHE 89 -2.431 -5.789 7.570 614 HB3 PHE 89 2HB PHE 89 -1.353 -5.004 6.422 615 HD1 PHE 89 2HD PHE 89 -2.494 -3.503 4.635 616 HD2 PHE 89 1HD PHE 89 -4.333 -4.699 8.282 617 HE1 PHE 89 2HE PHE 89 -4.057 -1.611 4.464 618 HE2 PHE 89 1HE PHE 89 -5.900 -2.809 8.116 619 HZ PHE 89 HZ PHE 89 -5.762 -1.261 6.206 620 H SER 90 H SER 90 -1.534 -6.525 3.273 621 HA SER 90 HA SER 90 0.127 -8.696 3.320 622 HB2 SER 90 1HB SER 90 1.438 -7.605 1.566 623 HB3 SER 90 2HB SER 90 -0.281 -7.297 1.320 624 HG SER 90 HG SER 90 1.758 -5.550 2.078 625 H GLU 91 H GLU 91 2.599 -8.623 3.291 626 HA GLU 91 HA GLU 91 3.504 -7.972 5.880 627 HB2 GLU 91 1HB GLU 91 4.963 -8.773 3.366 628 HB3 GLU 91 2HB GLU 91 5.790 -8.499 4.893 629 HG2 GLU 91 1HG GLU 91 4.452 -10.256 5.935 630 HG3 GLU 91 2HG GLU 91 3.631 -10.537 4.401 631 H VAL 92 H VAL 92 3.852 -5.991 6.621 632 HA VAL 92 HA VAL 92 3.905 -3.610 5.409 633 HB VAL 92 HB VAL 92 5.767 -4.422 7.646 634 HG11 VAL 92 1HG1 VAL 92 6.336 -2.282 6.390 635 HG12 VAL 92 2HG1 VAL 92 4.830 -1.632 7.040 636 HG13 VAL 92 3HG1 VAL 92 6.113 -2.150 8.134 637 HG21 VAL 92 1HG2 VAL 92 3.654 -4.800 8.486 638 HG22 VAL 92 2HG2 VAL 92 3.906 -3.113 8.931 639 HG23 VAL 92 3HG2 VAL 92 2.923 -3.516 7.522 640 H VAL 93 H VAL 93 4.991 -2.719 3.791 641 HA VAL 93 HA VAL 93 7.600 -3.813 3.042 642 HB VAL 93 HB VAL 93 5.775 -1.940 1.527 643 HG11 VAL 93 1HG1 VAL 93 7.330 -1.734 -0.084 644 HG12 VAL 93 2HG1 VAL 93 8.461 -2.149 1.207 645 HG13 VAL 93 3HG1 VAL 93 7.888 -3.398 0.099 646 HG21 VAL 93 1HG2 VAL 93 5.057 -4.370 1.908 647 HG22 VAL 93 2HG2 VAL 93 5.077 -3.773 0.248 648 HG23 VAL 93 3HG2 VAL 93 6.389 -4.796 0.833 649 H ALA 94 H ALA 94 9.191 -2.850 4.163 650 HA ALA 94 HA ALA 94 9.101 -0.066 4.883 651 HB1 ALA 94 1HB ALA 94 11.625 -1.617 5.077 652 HB2 ALA 94 2HB ALA 94 10.899 -0.487 6.220 653 HB3 ALA 94 3HB ALA 94 10.261 -2.124 6.073 654 H CYS 95 H CYS 95 10.315 1.609 4.060 655 HA CYS 95 HA CYS 95 12.239 1.182 1.964 656 HB2 CYS 95 1HB CYS 95 11.080 2.346 0.206 657 HB3 CYS 95 2HB CYS 95 10.046 1.039 0.768 658 HG CYS 95 HG CYS 95 9.530 4.341 0.822 659 H VAL 96 H VAL 96 13.729 2.748 2.005 660 HA VAL 96 HA VAL 96 13.077 5.215 3.482 661 HB VAL 96 HB VAL 96 15.741 3.814 3.216 662 HG11 VAL 96 1HG1 VAL 96 15.712 5.880 5.188 663 HG12 VAL 96 2HG1 VAL 96 16.747 5.716 3.767 664 HG13 VAL 96 3HG1 VAL 96 15.197 6.549 3.641 665 HG21 VAL 96 1HG2 VAL 96 14.559 4.360 5.858 666 HG22 VAL 96 2HG2 VAL 96 13.723 3.153 4.883 667 HG23 VAL 96 3HG2 VAL 96 15.430 2.942 5.273 668 H THR 97 H THR 97 12.992 6.983 2.280 669 HA THR 97 HA THR 97 13.698 7.086 -0.435 670 HB THR 97 HB THR 97 13.430 9.577 -0.188 671 HG1 THR 97 1HG THR 97 14.075 9.367 2.177 672 HG21 THR 97 1HG2 THR 97 11.324 9.034 -0.675 673 HG22 THR 97 2HG2 THR 97 10.991 8.941 1.056 674 HG23 THR 97 3HG2 THR 97 11.482 7.497 0.172 675 HA PRO 98 HA PRO 98 17.996 7.992 -0.469 676 HB2 PRO 98 1HB PRO 98 18.169 9.572 -2.670 677 HB3 PRO 98 2HB PRO 98 17.885 7.830 -2.758 678 HG2 PRO 98 1HG PRO 98 15.922 10.082 -2.954 679 HG3 PRO 98 2HG PRO 98 16.029 8.604 -3.927 680 HD2 PRO 98 1HD PRO 98 14.259 8.886 -1.897 681 HD3 PRO 98 2HD PRO 98 14.982 7.321 -2.323 682 HA PRO 99 HA PRO 99 18.622 11.830 1.617 683 HB2 PRO 99 1HB PRO 99 21.311 12.047 1.317 684 HB3 PRO 99 2HB PRO 99 20.558 10.899 2.431 685 HG2 PRO 99 1HG PRO 99 21.645 10.434 -0.319 686 HG3 PRO 99 2HG PRO 99 21.823 9.439 1.137 687 HD2 PRO 99 1HD PRO 99 20.043 8.855 -0.818 688 HD3 PRO 99 2HD PRO 99 19.740 8.484 0.892 689 H SER 100 H SER 100 18.548 13.938 1.088 690 HA SER 100 HA SER 100 19.004 14.658 -1.704 691 HB2 SER 100 1HB SER 100 16.876 15.243 -0.356 692 HB3 SER 100 2HB SER 100 17.867 16.492 0.395 693 HG SER 100 HG SER 100 18.365 16.992 -1.970 694 H SER 101 H SER 101 21.284 14.176 -0.040 695 HA SER 101 HA SER 101 22.389 16.673 0.815 696 HB2 SER 101 1HB SER 101 23.052 14.477 1.789 697 HB3 SER 101 2HB SER 101 23.824 14.066 0.258 698 HG SER 101 HG SER 101 24.874 16.308 0.757 699 H GLY 102 H GLY 102 22.385 18.110 -0.893 700 HA2 GLY 102 1HA GLY 102 24.042 19.062 -2.417 701 HA3 GLY 102 2HA GLY 102 24.263 17.447 -3.075 702 HA PRO 103 HA PRO 103 20.039 19.293 -4.657 703 HB2 PRO 103 1HB PRO 103 20.007 22.005 -4.749 704 HB3 PRO 103 2HB PRO 103 19.414 21.085 -3.362 705 HG2 PRO 103 1HG PRO 103 22.051 22.449 -3.745 706 HG3 PRO 103 2HG PRO 103 21.004 22.420 -2.315 707 HD2 PRO 103 1HD PRO 103 23.193 20.843 -2.549 708 HD3 PRO 103 2HD PRO 103 21.742 20.337 -1.660 709 H SER 104 H SER 104 20.039 19.076 -6.798 710 HA SER 104 HA SER 104 21.980 20.630 -8.377 711 HB2 SER 104 1HB SER 104 21.237 17.721 -8.609 712 HB3 SER 104 2HB SER 104 21.925 18.607 -9.970 713 HG SER 104 HG SER 104 23.794 18.336 -9.077 714 H SER 105 H SER 105 21.327 20.643 -10.767 715 HA SER 105 HA SER 105 18.401 20.890 -11.004 716 HB2 SER 105 1HB SER 105 18.590 22.937 -12.173 717 HB3 SER 105 2HB SER 105 19.695 23.098 -10.808 718 HG SER 105 HG SER 105 21.400 22.535 -12.231 719 H GLY 106 H GLY 106 21.469 20.214 -12.574 720 HA2 GLY 106 1HA GLY 106 20.287 18.322 -14.338 721 HA3 GLY 106 2HA GLY 106 20.651 19.814 -15.192 Start of MODEL 11 1 H1 GLY 1 H GLY 1 -19.804 -17.376 3.074 2 HA2 GLY 1 1HA GLY 1 -18.373 -19.138 2.737 3 HA3 GLY 1 2HA GLY 1 -17.078 -18.006 3.096 4 H SER 2 H SER 2 -17.954 -20.920 3.876 5 HA SER 2 HA SER 2 -17.694 -20.647 6.782 6 HB2 SER 2 1HB SER 2 -18.651 -22.842 4.974 7 HB3 SER 2 2HB SER 2 -18.113 -23.223 6.610 8 HG SER 2 HG SER 2 -20.299 -21.671 5.767 9 H SER 3 H SER 3 -16.290 -22.516 4.096 10 HA SER 3 HA SER 3 -14.258 -23.797 5.443 11 HB2 SER 3 1HB SER 3 -14.444 -22.751 2.628 12 HB3 SER 3 2HB SER 3 -12.997 -23.584 3.195 13 HG SER 3 HG SER 3 -15.473 -24.786 3.665 14 H GLY 4 H GLY 4 -12.380 -23.225 6.359 15 HA2 GLY 4 1HA GLY 4 -10.629 -21.927 7.080 16 HA3 GLY 4 2HA GLY 4 -10.795 -21.025 5.582 17 H SER 5 H SER 5 -11.337 -18.958 5.761 18 HA SER 5 HA SER 5 -12.864 -18.102 8.125 19 HB2 SER 5 1HB SER 5 -10.505 -16.614 6.949 20 HB3 SER 5 2HB SER 5 -11.462 -16.119 8.344 21 HG SER 5 HG SER 5 -10.325 -17.409 9.542 22 H SER 6 H SER 6 -13.744 -15.834 7.823 23 HA SER 6 HA SER 6 -15.106 -15.748 5.274 24 HB2 SER 6 1HB SER 6 -16.292 -15.323 7.426 25 HB3 SER 6 2HB SER 6 -15.341 -13.850 7.622 26 HG SER 6 HG SER 6 -17.403 -13.471 6.666 27 H GLY 7 H GLY 7 -13.864 -15.006 3.642 28 HA2 GLY 7 1HA GLY 7 -13.473 -12.518 2.894 29 HA3 GLY 7 2HA GLY 7 -12.182 -12.650 4.079 30 HA PRO 8 HA PRO 8 -10.912 -14.217 -0.226 31 HB2 PRO 8 1HB PRO 8 -9.321 -12.135 -0.936 32 HB3 PRO 8 2HB PRO 8 -11.042 -12.205 -1.328 33 HG2 PRO 8 1HG PRO 8 -9.662 -10.750 0.896 34 HG3 PRO 8 2HG PRO 8 -10.972 -10.193 -0.162 35 HD2 PRO 8 1HD PRO 8 -11.413 -11.075 2.359 36 HD3 PRO 8 2HD PRO 8 -12.591 -11.297 1.050 37 H ASP 9 H ASP 9 -8.491 -14.264 -0.986 38 HA ASP 9 HA ASP 9 -6.984 -15.321 1.224 39 HB2 ASP 9 1HB ASP 9 -6.377 -15.052 -1.724 40 HB3 ASP 9 2HB ASP 9 -5.260 -15.774 -0.569 41 H GLN 10 H GLN 10 -4.774 -14.696 1.711 42 HA GLN 10 HA GLN 10 -4.436 -12.101 2.463 43 HB2 GLN 10 1HB GLN 10 -2.978 -13.938 3.195 44 HB3 GLN 10 2HB GLN 10 -2.245 -13.997 1.597 45 HG2 GLN 10 1HG GLN 10 -1.514 -11.627 1.948 46 HG3 GLN 10 2HG GLN 10 -2.060 -11.781 3.617 47 HE21 GLN 10 1HE2 GLN 10 0.508 -11.146 3.192 48 HE22 GLN 10 2HE2 GLN 10 1.542 -12.480 3.558 49 H CYS 11 H CYS 11 -3.103 -10.359 1.676 50 HA CYS 11 HA CYS 11 -3.140 -10.198 -1.260 51 HB2 CYS 11 1HB CYS 11 -3.161 -7.983 0.801 52 HB3 CYS 11 2HB CYS 11 -3.167 -7.743 -0.942 53 HG CYS 11 HG CYS 11 -5.644 -9.741 -0.185 54 H LYS 12 H LYS 12 -1.300 -9.936 -2.365 55 HA LYS 12 HA LYS 12 1.205 -10.237 -1.083 56 HB2 LYS 12 1HB LYS 12 0.408 -9.562 -3.909 57 HB3 LYS 12 2HB LYS 12 2.093 -9.668 -3.419 58 HG2 LYS 12 1HG LYS 12 0.847 -11.725 -4.461 59 HG3 LYS 12 2HG LYS 12 2.026 -11.934 -3.163 60 HD2 LYS 12 1HD LYS 12 0.209 -11.983 -1.524 61 HD3 LYS 12 2HD LYS 12 -0.969 -11.772 -2.821 62 HE2 LYS 12 1HE LYS 12 -0.877 -14.098 -2.239 63 HE3 LYS 12 2HE LYS 12 -0.154 -13.887 -3.833 64 HZ1 LYS 12 1HZ LYS 12 1.286 -14.258 -1.264 65 HZ2 LYS 12 2HZ LYS 12 2.042 -13.892 -2.732 66 HZ3 LYS 12 3HZ LYS 12 1.206 -15.353 -2.551 67 HA PRO 13 HA PRO 13 2.391 -6.111 -0.156 68 HB2 PRO 13 1HB PRO 13 5.079 -6.261 -0.511 69 HB3 PRO 13 2HB PRO 13 4.248 -7.006 0.860 70 HG2 PRO 13 1HG PRO 13 5.199 -8.259 -1.687 71 HG3 PRO 13 2HG PRO 13 5.319 -8.870 -0.027 72 HD2 PRO 13 1HD PRO 13 3.432 -9.735 -1.765 73 HD3 PRO 13 2HD PRO 13 3.143 -9.631 -0.017 74 HA PRO 14 HA PRO 14 2.481 -4.024 -4.072 75 HB2 PRO 14 1HB PRO 14 2.723 -1.500 -3.100 76 HB3 PRO 14 2HB PRO 14 1.205 -2.405 -3.057 77 HG2 PRO 14 1HG PRO 14 3.226 -1.989 -0.887 78 HG3 PRO 14 2HG PRO 14 1.456 -1.925 -0.794 79 HD2 PRO 14 1HD PRO 14 2.878 -4.085 0.007 80 HD3 PRO 14 2HD PRO 14 1.252 -4.219 -0.692 81 H GLN 15 H GLN 15 3.886 -2.475 -5.242 82 HA GLN 15 HA GLN 15 6.690 -2.864 -4.458 83 HB2 GLN 15 1HB GLN 15 6.201 -3.801 -6.614 84 HB3 GLN 15 2HB GLN 15 5.418 -2.316 -7.140 85 HG2 GLN 15 1HG GLN 15 7.801 -1.301 -6.621 86 HG3 GLN 15 2HG GLN 15 8.301 -2.967 -6.909 87 HE21 GLN 15 1HE2 GLN 15 8.902 -3.340 -8.906 88 HE22 GLN 15 2HE2 GLN 15 8.287 -2.568 -10.323 89 H VAL 16 H VAL 16 7.654 -1.184 -3.548 90 HA VAL 16 HA VAL 16 6.620 1.508 -3.999 91 HB VAL 16 HB VAL 16 8.446 2.046 -2.224 92 HG11 VAL 16 1HG1 VAL 16 6.838 1.914 -0.582 93 HG12 VAL 16 2HG1 VAL 16 5.847 1.816 -2.038 94 HG13 VAL 16 3HG1 VAL 16 6.242 0.351 -1.140 95 HG21 VAL 16 1HG2 VAL 16 8.066 -0.721 -1.262 96 HG22 VAL 16 2HG2 VAL 16 9.195 -0.503 -2.600 97 HG23 VAL 16 3HG2 VAL 16 9.445 0.363 -1.084 98 H THR 17 H THR 17 7.551 2.902 -5.338 99 HA THR 17 HA THR 17 10.371 2.482 -6.081 100 HB THR 17 HB THR 17 8.109 3.276 -7.924 101 HG1 THR 17 1HG THR 17 9.583 0.935 -7.482 102 HG21 THR 17 1HG2 THR 17 9.656 4.367 -9.111 103 HG22 THR 17 2HG2 THR 17 10.400 2.799 -9.429 104 HG23 THR 17 3HG2 THR 17 10.957 3.782 -8.075 105 H CYS 18 H CYS 18 11.074 4.073 -4.642 106 HA CYS 18 HA CYS 18 9.981 6.644 -4.400 107 HB2 CYS 18 1HB CYS 18 12.158 7.257 -3.388 108 HB3 CYS 18 2HB CYS 18 11.507 5.761 -2.731 109 HG CYS 18 HG CYS 18 14.464 6.258 -3.854 110 H ARG 19 H ARG 19 9.546 7.284 -6.577 111 HA ARG 19 HA ARG 19 11.291 7.487 -8.679 112 HB2 ARG 19 1HB ARG 19 9.298 9.642 -7.977 113 HB3 ARG 19 2HB ARG 19 9.879 9.199 -9.577 114 HG2 ARG 19 1HG ARG 19 8.835 6.879 -9.000 115 HG3 ARG 19 2HG ARG 19 7.906 7.815 -7.826 116 HD2 ARG 19 1HD ARG 19 6.793 9.001 -9.449 117 HD3 ARG 19 2HD ARG 19 8.084 8.797 -10.633 118 HE ARG 19 HE ARG 19 6.717 6.359 -9.926 119 HH11 ARG 19 1HH1 ARG 19 6.785 9.121 -12.043 120 HH12 ARG 19 2HH1 ARG 19 5.881 8.343 -13.300 121 HH21 ARG 19 1HH2 ARG 19 5.526 5.324 -11.574 122 HH22 ARG 19 2HH2 ARG 19 5.165 6.184 -13.031 123 H SER 20 H SER 20 11.061 9.549 -5.852 124 HA SER 20 HA SER 20 13.666 10.669 -6.456 125 HB2 SER 20 1HB SER 20 11.140 12.270 -6.506 126 HB3 SER 20 2HB SER 20 12.605 13.016 -5.866 127 HG SER 20 HG SER 20 13.583 12.784 -7.816 128 H ALA 21 H ALA 21 14.014 12.502 -4.593 129 HA ALA 21 HA ALA 21 14.161 11.039 -2.184 130 HB1 ALA 21 1HB ALA 21 15.482 13.166 -3.125 131 HB2 ALA 21 2HB ALA 21 14.356 13.985 -2.041 132 HB3 ALA 21 3HB ALA 21 15.438 12.742 -1.414 133 H THR 22 H THR 22 11.827 13.309 -3.445 134 HA THR 22 HA THR 22 10.254 13.000 -0.970 135 HB THR 22 HB THR 22 9.261 15.188 -1.360 136 HG1 THR 22 1HG THR 22 10.752 15.015 -3.736 137 HG21 THR 22 1HG2 THR 22 12.040 16.027 -1.653 138 HG22 THR 22 2HG2 THR 22 11.832 14.724 -0.482 139 HG23 THR 22 3HG2 THR 22 10.934 16.230 -0.294 140 H CYS 23 H CYS 23 10.314 11.419 -3.511 141 HA CYS 23 HA CYS 23 7.436 11.580 -4.060 142 HB2 CYS 23 1HB CYS 23 9.501 11.131 -6.221 143 HB3 CYS 23 2HB CYS 23 7.763 11.302 -6.431 144 HG CYS 23 HG CYS 23 7.748 14.007 -5.617 145 H ALA 24 H ALA 24 6.417 9.646 -4.229 146 HA ALA 24 HA ALA 24 7.965 7.203 -4.555 147 HB1 ALA 24 1HB ALA 24 6.146 7.418 -2.177 148 HB2 ALA 24 2HB ALA 24 7.366 6.194 -2.530 149 HB3 ALA 24 3HB ALA 24 7.859 7.826 -2.079 150 H GLN 25 H GLN 25 6.756 5.449 -5.276 151 HA GLN 25 HA GLN 25 3.893 5.924 -5.738 152 HB2 GLN 25 1HB GLN 25 5.038 6.453 -7.816 153 HB3 GLN 25 2HB GLN 25 5.887 4.914 -7.772 154 HG2 GLN 25 1HG GLN 25 3.492 3.901 -7.768 155 HG3 GLN 25 2HG GLN 25 3.028 5.482 -8.397 156 HE21 GLN 25 1HE2 GLN 25 2.367 4.081 -10.226 157 HE22 GLN 25 2HE2 GLN 25 3.543 3.742 -11.447 158 H VAL 26 H VAL 26 2.620 4.245 -5.250 159 HA VAL 26 HA VAL 26 3.926 1.691 -4.595 160 HB VAL 26 HB VAL 26 1.161 2.475 -3.712 161 HG11 VAL 26 1HG1 VAL 26 1.657 0.160 -3.422 162 HG12 VAL 26 2HG1 VAL 26 3.229 0.527 -2.710 163 HG13 VAL 26 3HG1 VAL 26 1.750 0.924 -1.836 164 HG21 VAL 26 1HG2 VAL 26 2.709 2.916 -1.514 165 HG22 VAL 26 2HG2 VAL 26 3.729 3.554 -2.802 166 HG23 VAL 26 3HG2 VAL 26 2.095 4.176 -2.583 167 H ASN 27 H ASN 27 2.938 -0.277 -5.207 168 HA ASN 27 HA ASN 27 0.730 -0.180 -7.100 169 HB2 ASN 27 1HB ASN 27 3.331 -1.507 -7.878 170 HB3 ASN 27 2HB ASN 27 1.895 -1.295 -8.875 171 HD21 ASN 27 1HD2 ASN 27 1.413 0.756 -9.698 172 HD22 ASN 27 2HD2 ASN 27 2.613 1.995 -9.800 173 H TRP 28 H TRP 28 -0.641 -1.684 -6.441 174 HA TRP 28 HA TRP 28 0.444 -4.171 -5.291 175 HB2 TRP 28 1HB TRP 28 -1.696 -4.327 -4.022 176 HB3 TRP 28 2HB TRP 28 -0.729 -2.920 -3.591 177 HD1 TRP 28 HD TRP 28 -4.093 -3.906 -4.981 178 HE1 TRP 28 1HE TRP 28 -5.520 -1.795 -5.343 179 HE3 TRP 28 3HE TRP 28 -0.489 -0.353 -4.251 180 HZ2 TRP 28 2HZ TRP 28 -5.166 1.005 -5.323 181 HZ3 TRP 28 3HZ TRP 28 -1.115 2.019 -4.441 182 HH2 TRP 28 HH TRP 28 -3.406 2.681 -4.966 183 H GLU 29 H GLU 29 -1.538 -5.876 -5.319 184 HA GLU 29 HA GLU 29 -2.786 -5.843 -7.968 185 HB2 GLU 29 1HB GLU 29 -1.176 -8.169 -6.900 186 HB3 GLU 29 2HB GLU 29 -2.082 -8.149 -8.406 187 HG2 GLU 29 1HG GLU 29 -0.622 -6.342 -9.227 188 HG3 GLU 29 2HG GLU 29 0.315 -6.456 -7.739 189 H VAL 30 H VAL 30 -4.290 -7.826 -8.176 190 HA VAL 30 HA VAL 30 -5.830 -7.998 -5.681 191 HB VAL 30 HB VAL 30 -6.630 -8.371 -8.562 192 HG11 VAL 30 1HG1 VAL 30 -7.881 -9.407 -6.109 193 HG12 VAL 30 2HG1 VAL 30 -8.965 -8.562 -7.216 194 HG13 VAL 30 3HG1 VAL 30 -8.033 -9.950 -7.779 195 HG21 VAL 30 1HG2 VAL 30 -8.372 -6.625 -7.658 196 HG22 VAL 30 2HG2 VAL 30 -7.129 -6.337 -6.441 197 HG23 VAL 30 3HG2 VAL 30 -6.756 -6.116 -8.150 198 HA PRO 31 HA PRO 31 -4.526 -12.227 -5.311 199 HB2 PRO 31 1HB PRO 31 -6.155 -12.869 -3.239 200 HB3 PRO 31 2HB PRO 31 -4.685 -11.908 -3.042 201 HG2 PRO 31 1HG PRO 31 -7.531 -10.998 -3.238 202 HG3 PRO 31 2HG PRO 31 -6.251 -10.441 -2.144 203 HD2 PRO 31 1HD PRO 31 -6.965 -9.071 -4.367 204 HD3 PRO 31 2HD PRO 31 -5.303 -9.079 -3.744 205 H LEU 32 H LEU 32 -5.683 -14.399 -5.076 206 HA LEU 32 HA LEU 32 -7.624 -14.598 -7.183 207 HB2 LEU 32 1HB LEU 32 -5.906 -16.282 -6.962 208 HB3 LEU 32 2HB LEU 32 -6.450 -16.666 -5.330 209 HG LEU 32 HG LEU 32 -8.668 -17.338 -6.459 210 HD11 LEU 32 1HD1 LEU 32 -8.679 -17.841 -8.727 211 HD12 LEU 32 2HD1 LEU 32 -6.922 -17.769 -8.854 212 HD13 LEU 32 3HD1 LEU 32 -7.854 -16.284 -8.661 213 HD21 LEU 32 1HD2 LEU 32 -6.273 -18.721 -5.881 214 HD22 LEU 32 2HD2 LEU 32 -6.910 -19.384 -7.386 215 HD23 LEU 32 3HD2 LEU 32 -7.916 -19.359 -5.937 216 H SER 33 H SER 33 -9.683 -14.102 -6.828 217 HA SER 33 HA SER 33 -10.964 -15.149 -4.393 218 HB2 SER 33 1HB SER 33 -11.338 -12.422 -5.648 219 HB3 SER 33 2HB SER 33 -12.428 -13.094 -4.435 220 HG SER 33 HG SER 33 -10.576 -13.265 -3.045 221 H ASN 34 H ASN 34 -12.099 -16.816 -5.208 222 HA ASN 34 HA ASN 34 -13.545 -16.511 -7.719 223 HB2 ASN 34 1HB ASN 34 -13.608 -18.970 -5.990 224 HB3 ASN 34 2HB ASN 34 -13.783 -18.844 -7.738 225 HD21 ASN 34 1HD2 ASN 34 -11.609 -19.126 -5.099 226 HD22 ASN 34 2HD2 ASN 34 -10.157 -19.269 -6.023 227 H GLY 35 H GLY 35 -15.209 -15.093 -7.192 228 HA2 GLY 35 1HA GLY 35 -17.671 -15.761 -6.698 229 HA3 GLY 35 2HA GLY 35 -17.052 -15.922 -5.060 230 H THR 36 H THR 36 -16.071 -13.984 -4.087 231 HA THR 36 HA THR 36 -17.596 -11.608 -4.870 232 HB THR 36 HB THR 36 -17.882 -12.278 -2.555 233 HG1 THR 36 1HG THR 36 -17.632 -9.969 -3.175 234 HG21 THR 36 1HG2 THR 36 -14.879 -12.026 -2.390 235 HG22 THR 36 2HG2 THR 36 -15.844 -13.482 -2.146 236 HG23 THR 36 3HG2 THR 36 -15.940 -12.155 -0.989 237 H ASP 37 H ASP 37 -16.641 -9.619 -5.227 238 HA ASP 37 HA ASP 37 -13.751 -9.711 -5.759 239 HB2 ASP 37 1HB ASP 37 -15.663 -7.636 -6.817 240 HB3 ASP 37 2HB ASP 37 -14.066 -8.061 -7.427 241 H VAL 38 H VAL 38 -12.467 -7.833 -5.272 242 HA VAL 38 HA VAL 38 -12.951 -6.812 -2.675 243 HB VAL 38 HB VAL 38 -10.950 -5.876 -4.735 244 HG11 VAL 38 1HG1 VAL 38 -10.171 -4.396 -3.259 245 HG12 VAL 38 2HG1 VAL 38 -11.679 -4.637 -2.376 246 HG13 VAL 38 3HG1 VAL 38 -10.241 -5.560 -1.937 247 HG21 VAL 38 1HG2 VAL 38 -9.362 -7.293 -3.507 248 HG22 VAL 38 2HG2 VAL 38 -10.679 -7.870 -2.485 249 HG23 VAL 38 3HG2 VAL 38 -10.677 -8.235 -4.211 250 H THR 39 H THR 39 -14.448 -5.343 -2.217 251 HA THR 39 HA THR 39 -15.644 -3.608 -4.075 252 HB THR 39 HB THR 39 -16.245 -2.341 -1.803 253 HG1 THR 39 1HG THR 39 -15.736 -3.441 -0.058 254 HG21 THR 39 1HG2 THR 39 -18.091 -4.010 -1.497 255 HG22 THR 39 2HG2 THR 39 -17.299 -5.019 -2.708 256 HG23 THR 39 3HG2 THR 39 -17.903 -3.423 -3.149 257 H GLU 40 H GLU 40 -13.157 -3.014 -1.605 258 HA GLU 40 HA GLU 40 -12.145 -0.794 -3.181 259 HB2 GLU 40 1HB GLU 40 -12.452 0.893 -1.637 260 HB3 GLU 40 2HB GLU 40 -13.941 -0.022 -1.442 261 HG2 GLU 40 1HG GLU 40 -12.508 -1.270 0.395 262 HG3 GLU 40 2HG GLU 40 -11.630 0.259 0.393 263 H TYR 41 H TYR 41 -10.086 0.068 -2.242 264 HA TYR 41 HA TYR 41 -8.653 -2.027 -0.744 265 HB2 TYR 41 1HB TYR 41 -7.532 -0.341 -2.991 266 HB3 TYR 41 2HB TYR 41 -6.666 -1.581 -2.090 267 HD1 TYR 41 1HD TYR 41 -9.747 -1.179 -4.168 268 HD2 TYR 41 2HD TYR 41 -6.527 -3.701 -2.999 269 HE1 TYR 41 1HE TYR 41 -10.487 -2.867 -5.796 270 HE2 TYR 41 2HE TYR 41 -7.257 -5.396 -4.626 271 HH TYR 41 HH TYR 41 -9.107 -6.057 -5.891 272 H ARG 42 H ARG 42 -7.918 -1.319 1.135 273 HA ARG 42 HA ARG 42 -7.606 1.556 1.565 274 HB2 ARG 42 1HB ARG 42 -7.936 -0.814 3.366 275 HB3 ARG 42 2HB ARG 42 -7.229 0.665 4.000 276 HG2 ARG 42 1HG ARG 42 -9.275 1.867 3.152 277 HG3 ARG 42 2HG ARG 42 -9.976 0.276 2.851 278 HD2 ARG 42 1HD ARG 42 -9.081 1.416 5.493 279 HD3 ARG 42 2HD ARG 42 -10.730 1.044 4.991 280 HE ARG 42 HE ARG 42 -8.924 -1.210 4.994 281 HH11 ARG 42 1HH1 ARG 42 -11.221 0.671 6.814 282 HH12 ARG 42 2HH1 ARG 42 -11.583 -0.607 7.926 283 HH21 ARG 42 1HH2 ARG 42 -9.392 -2.900 6.451 284 HH22 ARG 42 2HH2 ARG 42 -10.541 -2.638 7.719 285 H LEU 43 H LEU 43 -5.660 2.339 1.086 286 HA LEU 43 HA LEU 43 -3.289 0.725 1.748 287 HB2 LEU 43 1HB LEU 43 -3.526 1.273 -0.623 288 HB3 LEU 43 2HB LEU 43 -3.585 2.989 -0.222 289 HG LEU 43 HG LEU 43 -1.219 2.481 0.826 290 HD11 LEU 43 1HD1 LEU 43 -0.063 0.855 -0.776 291 HD12 LEU 43 2HD1 LEU 43 -1.679 0.231 -1.104 292 HD13 LEU 43 3HD1 LEU 43 -1.026 0.173 0.534 293 HD21 LEU 43 1HD2 LEU 43 -0.229 3.006 -1.430 294 HD22 LEU 43 2HD2 LEU 43 -1.494 4.104 -0.881 295 HD23 LEU 43 3HD2 LEU 43 -1.859 2.873 -2.090 296 H GLU 44 H GLU 44 -2.303 1.325 3.551 297 HA GLU 44 HA GLU 44 -2.539 4.101 4.460 298 HB2 GLU 44 1HB GLU 44 -1.511 1.692 5.966 299 HB3 GLU 44 2HB GLU 44 -1.831 3.284 6.637 300 HG2 GLU 44 1HG GLU 44 -3.595 1.689 7.181 301 HG3 GLU 44 2HG GLU 44 -4.196 3.029 6.206 302 H TRP 45 H TRP 45 -0.748 5.348 4.994 303 HA TRP 45 HA TRP 45 1.905 4.274 4.412 304 HB2 TRP 45 1HB TRP 45 1.154 5.217 2.283 305 HB3 TRP 45 2HB TRP 45 0.781 6.745 3.075 306 HD1 TRP 45 HD TRP 45 3.125 7.835 4.382 307 HE1 TRP 45 1HE TRP 45 5.454 8.096 3.320 308 HE3 TRP 45 3HE TRP 45 2.686 4.409 0.613 309 HZ2 TRP 45 2HZ TRP 45 6.913 6.995 1.168 310 HZ3 TRP 45 3HZ TRP 45 4.594 4.074 -0.904 311 HH2 TRP 45 HH TRP 45 6.664 5.341 -0.631 312 H GLY 46 H GLY 46 2.963 4.648 6.250 313 HA2 GLY 46 1HA GLY 46 2.953 7.383 7.315 314 HA3 GLY 46 2HA GLY 46 2.567 6.059 8.404 315 H GLY 47 H GLY 47 4.907 8.088 7.919 316 HA2 GLY 47 1HA GLY 47 7.273 6.981 7.263 317 HA3 GLY 47 2HA GLY 47 7.100 8.019 8.669 318 H VAL 48 H VAL 48 5.854 6.609 10.515 319 HA VAL 48 HA VAL 48 7.636 4.310 10.939 320 HB VAL 48 HB VAL 48 6.232 6.156 12.851 321 HG11 VAL 48 1HG1 VAL 48 7.188 3.366 13.314 322 HG12 VAL 48 2HG1 VAL 48 7.345 4.564 14.600 323 HG13 VAL 48 3HG1 VAL 48 5.756 4.182 13.938 324 HG21 VAL 48 1HG2 VAL 48 8.986 5.638 11.986 325 HG22 VAL 48 2HG2 VAL 48 8.262 7.100 12.656 326 HG23 VAL 48 3HG2 VAL 48 8.781 5.802 13.730 327 H GLU 49 H GLU 49 6.819 2.327 10.884 328 HA GLU 49 HA GLU 49 4.242 1.670 10.199 329 HB2 GLU 49 1HB GLU 49 4.743 -0.605 11.008 330 HB3 GLU 49 2HB GLU 49 6.066 0.070 10.068 331 HG2 GLU 49 1HG GLU 49 7.450 0.254 11.882 332 HG3 GLU 49 2HG GLU 49 6.115 0.363 13.027 333 H GLY 50 H GLY 50 5.535 2.367 13.367 334 HA2 GLY 50 1HA GLY 50 3.534 1.264 14.976 335 HA3 GLY 50 2HA GLY 50 4.516 2.656 15.403 336 H SER 51 H SER 51 3.575 4.242 13.130 337 HA SER 51 HA SER 51 0.765 4.663 13.886 338 HB2 SER 51 1HB SER 51 1.858 6.346 15.134 339 HB3 SER 51 2HB SER 51 2.987 6.699 13.826 340 HG SER 51 HG SER 51 1.617 8.182 13.275 341 H MET 52 H MET 52 -0.289 4.162 12.067 342 HA MET 52 HA MET 52 0.579 5.482 9.582 343 HB2 MET 52 1HB MET 52 -0.253 2.639 10.039 344 HB3 MET 52 2HB MET 52 -0.551 3.396 8.479 345 HG2 MET 52 1HG MET 52 1.736 3.691 8.062 346 HG3 MET 52 2HG MET 52 2.165 3.390 9.743 347 HE1 MET 52 1HE MET 52 2.389 2.139 6.402 348 HE2 MET 52 2HE MET 52 1.977 0.425 6.386 349 HE3 MET 52 3HE MET 52 0.699 1.640 6.447 350 H GLN 53 H GLN 53 -1.180 5.775 7.996 351 HA GLN 53 HA GLN 53 -3.882 5.732 9.078 352 HB2 GLN 53 1HB GLN 53 -2.552 8.277 8.133 353 HB3 GLN 53 2HB GLN 53 -4.260 8.110 8.512 354 HG2 GLN 53 1HG GLN 53 -3.749 7.648 10.820 355 HG3 GLN 53 2HG GLN 53 -2.021 7.671 10.472 356 HE21 GLN 53 1HE2 GLN 53 -4.885 9.570 10.913 357 HE22 GLN 53 2HE2 GLN 53 -4.103 11.107 11.008 358 H ILE 54 H ILE 54 -5.524 6.107 7.459 359 HA ILE 54 HA ILE 54 -5.071 4.763 5.064 360 HB ILE 54 HB ILE 54 -7.246 6.796 5.564 361 HG12 ILE 54 1HG1 ILE 54 -7.208 5.154 7.365 362 HG13 ILE 54 2HG1 ILE 54 -8.595 4.866 6.321 363 HG21 ILE 54 1HG2 ILE 54 -6.602 5.139 3.327 364 HG22 ILE 54 2HG2 ILE 54 -8.138 4.618 4.017 365 HG23 ILE 54 3HG2 ILE 54 -7.923 6.294 3.511 366 HD11 ILE 54 1HD1 ILE 54 -6.950 3.192 5.148 367 HD12 ILE 54 2HD1 ILE 54 -6.148 3.237 6.719 368 HD13 ILE 54 3HD1 ILE 54 -7.836 2.740 6.604 369 H CYS 55 H CYS 55 -3.633 5.408 3.588 370 HA CYS 55 HA CYS 55 -3.249 8.219 3.001 371 HB2 CYS 55 1HB CYS 55 -1.385 6.481 3.131 372 HB3 CYS 55 2HB CYS 55 -1.964 5.891 1.579 373 HG CYS 55 HG CYS 55 -0.886 9.094 2.111 374 H TYR 56 H TYR 56 -4.359 5.316 1.290 375 HA TYR 56 HA TYR 56 -5.899 7.029 -0.509 376 HB2 TYR 56 1HB TYR 56 -3.969 6.686 -1.841 377 HB3 TYR 56 2HB TYR 56 -3.852 4.993 -1.375 378 HD1 TYR 56 1HD TYR 56 -5.798 7.412 -3.383 379 HD2 TYR 56 2HD TYR 56 -5.019 3.309 -2.572 380 HE1 TYR 56 1HE TYR 56 -7.074 6.780 -5.388 381 HE2 TYR 56 2HE TYR 56 -6.292 2.665 -4.575 382 HH TYR 56 HH TYR 56 -7.682 3.390 -6.185 383 H CYS 57 H CYS 57 -7.878 6.251 -0.924 384 HA CYS 57 HA CYS 57 -8.411 3.411 -0.382 385 HB2 CYS 57 1HB CYS 57 -9.136 4.784 1.552 386 HB3 CYS 57 2HB CYS 57 -10.181 5.709 0.479 387 HG CYS 57 HG CYS 57 -11.970 4.129 1.703 388 H GLY 58 H GLY 58 -9.137 2.495 -2.179 389 HA2 GLY 58 1HA GLY 58 -11.425 3.231 -3.556 390 HA3 GLY 58 2HA GLY 58 -10.086 3.988 -4.406 391 HA PRO 59 HA PRO 59 -10.765 -0.491 -5.770 392 HB2 PRO 59 1HB PRO 59 -11.617 0.045 -8.292 393 HB3 PRO 59 2HB PRO 59 -12.719 -0.109 -6.918 394 HG2 PRO 59 1HG PRO 59 -11.632 2.365 -8.206 395 HG3 PRO 59 2HG PRO 59 -13.281 2.025 -7.651 396 HD2 PRO 59 1HD PRO 59 -11.536 3.510 -6.209 397 HD3 PRO 59 2HD PRO 59 -12.771 2.483 -5.451 398 H GLY 60 H GLY 60 -9.289 2.377 -7.106 399 HA2 GLY 60 1HA GLY 60 -7.806 1.494 -9.212 400 HA3 GLY 60 2HA GLY 60 -7.196 2.652 -8.039 401 H LEU 61 H LEU 61 -5.488 0.939 -9.356 402 HA LEU 61 HA LEU 61 -4.698 -0.914 -7.204 403 HB2 LEU 61 1HB LEU 61 -4.341 -1.206 -10.182 404 HB3 LEU 61 2HB LEU 61 -3.589 -2.258 -8.985 405 HG LEU 61 HG LEU 61 -6.566 -1.946 -9.368 406 HD11 LEU 61 1HD1 LEU 61 -4.604 -3.500 -10.816 407 HD12 LEU 61 2HD1 LEU 61 -6.317 -3.251 -11.149 408 HD13 LEU 61 3HD1 LEU 61 -5.810 -4.527 -10.042 409 HD21 LEU 61 1HD2 LEU 61 -5.003 -3.998 -7.806 410 HD22 LEU 61 2HD2 LEU 61 -6.757 -3.842 -7.905 411 HD23 LEU 61 3HD2 LEU 61 -5.805 -2.597 -7.095 412 H SER 62 H SER 62 -3.954 1.917 -8.702 413 HA SER 62 HA SER 62 -1.147 1.713 -7.875 414 HB2 SER 62 1HB SER 62 -0.478 3.055 -9.865 415 HB3 SER 62 2HB SER 62 -1.108 1.463 -10.289 416 HG SER 62 HG SER 62 -1.977 3.157 -11.591 417 H TYR 63 H TYR 63 -0.389 3.449 -6.789 418 HA TYR 63 HA TYR 63 -1.889 5.956 -6.864 419 HB2 TYR 63 1HB TYR 63 -2.811 4.602 -4.989 420 HB3 TYR 63 2HB TYR 63 -1.204 4.553 -4.273 421 HD1 TYR 63 1HD TYR 63 -3.811 6.960 -5.418 422 HD2 TYR 63 2HD TYR 63 -0.563 6.211 -2.775 423 HE1 TYR 63 1HE TYR 63 -4.270 9.082 -4.263 424 HE2 TYR 63 2HE TYR 63 -1.013 8.330 -1.611 425 HH TYR 63 HH TYR 63 -3.727 9.937 -1.701 426 H GLU 64 H GLU 64 -0.452 7.476 -7.315 427 HA GLU 64 HA GLU 64 2.346 7.105 -6.603 428 HB2 GLU 64 1HB GLU 64 1.776 7.833 -8.882 429 HB3 GLU 64 2HB GLU 64 1.009 9.274 -8.230 430 HG2 GLU 64 1HG GLU 64 3.230 9.896 -7.248 431 HG3 GLU 64 2HG GLU 64 3.928 8.562 -8.165 432 H ILE 65 H ILE 65 2.961 7.741 -4.648 433 HA ILE 65 HA ILE 65 1.578 9.927 -3.308 434 HB ILE 65 HB ILE 65 3.618 7.917 -2.389 435 HG12 ILE 65 1HG1 ILE 65 0.936 8.546 -1.177 436 HG13 ILE 65 2HG1 ILE 65 1.079 7.465 -2.559 437 HG21 ILE 65 1HG2 ILE 65 2.749 10.457 -1.062 438 HG22 ILE 65 2HG2 ILE 65 3.250 9.060 -0.111 439 HG23 ILE 65 3HG2 ILE 65 4.375 9.799 -1.251 440 HD11 ILE 65 1HD1 ILE 65 2.379 7.094 0.128 441 HD12 ILE 65 2HD1 ILE 65 0.985 6.212 -0.497 442 HD13 ILE 65 3HD1 ILE 65 2.564 6.019 -1.258 443 H LYS 66 H LYS 66 2.571 11.807 -2.585 444 HA LYS 66 HA LYS 66 5.336 12.313 -3.368 445 HB2 LYS 66 1HB LYS 66 2.968 13.904 -4.350 446 HB3 LYS 66 2HB LYS 66 4.611 14.535 -4.360 447 HG2 LYS 66 1HG LYS 66 5.297 12.672 -5.810 448 HG3 LYS 66 2HG LYS 66 3.628 12.097 -5.832 449 HD2 LYS 66 1HD LYS 66 3.891 13.338 -7.818 450 HD3 LYS 66 2HD LYS 66 3.007 14.398 -6.718 451 HE2 LYS 66 1HE LYS 66 4.953 15.671 -6.247 452 HE3 LYS 66 2HE LYS 66 5.999 14.487 -7.029 453 HZ1 LYS 66 1HZ LYS 66 3.903 15.928 -8.535 454 HZ2 LYS 66 2HZ LYS 66 5.268 15.127 -9.131 455 HZ3 LYS 66 3HZ LYS 66 5.442 16.595 -8.309 456 H GLY 67 H GLY 67 5.964 14.626 -2.623 457 HA2 GLY 67 1HA GLY 67 6.069 16.229 -0.961 458 HA3 GLY 67 2HA GLY 67 4.480 15.711 -0.418 459 H LEU 68 H LEU 68 7.414 13.759 -0.735 460 HA LEU 68 HA LEU 68 7.189 13.117 2.121 461 HB2 LEU 68 1HB LEU 68 8.841 11.660 0.075 462 HB3 LEU 68 2HB LEU 68 8.340 11.097 1.668 463 HG LEU 68 HG LEU 68 6.450 11.569 -0.635 464 HD11 LEU 68 1HD1 LEU 68 6.477 8.890 -0.241 465 HD12 LEU 68 2HD1 LEU 68 8.170 9.290 0.047 466 HD13 LEU 68 3HD1 LEU 68 7.410 9.726 -1.483 467 HD21 LEU 68 1HD2 LEU 68 5.058 9.996 0.862 468 HD22 LEU 68 2HD2 LEU 68 5.187 11.697 1.311 469 HD23 LEU 68 3HD2 LEU 68 6.164 10.488 2.144 470 H SER 69 H SER 69 9.337 12.609 3.200 471 HA SER 69 HA SER 69 11.228 14.763 2.543 472 HB2 SER 69 1HB SER 69 10.176 14.895 4.778 473 HB3 SER 69 2HB SER 69 10.837 13.308 5.170 474 HG SER 69 HG SER 69 12.928 14.209 4.888 475 HA PRO 70 HA PRO 70 14.288 11.797 1.434 476 HB2 PRO 70 1HB PRO 70 16.503 13.322 1.807 477 HB3 PRO 70 2HB PRO 70 15.402 13.546 0.444 478 HG2 PRO 70 1HG PRO 70 15.567 15.070 3.015 479 HG3 PRO 70 2HG PRO 70 15.345 15.680 1.364 480 HD2 PRO 70 1HD PRO 70 13.288 15.405 3.104 481 HD3 PRO 70 2HD PRO 70 13.092 15.194 1.352 482 H ALA 71 H ALA 71 15.836 10.425 2.338 483 HA ALA 71 HA ALA 71 16.775 9.175 3.993 484 HB1 ALA 71 1HB ALA 71 17.248 11.942 5.080 485 HB2 ALA 71 2HB ALA 71 17.925 10.484 5.806 486 HB3 ALA 71 3HB ALA 71 18.363 10.934 4.157 487 H THR 72 H THR 72 14.157 8.950 4.175 488 HA THR 72 HA THR 72 13.686 8.850 7.056 489 HB THR 72 HB THR 72 11.696 10.057 5.125 490 HG1 THR 72 1HG THR 72 12.966 11.266 7.367 491 HG21 THR 72 1HG2 THR 72 10.594 8.715 6.841 492 HG22 THR 72 2HG2 THR 72 10.316 10.433 7.124 493 HG23 THR 72 3HG2 THR 72 11.498 9.558 8.097 494 H THR 73 H THR 73 12.624 7.053 7.699 495 HA THR 73 HA THR 73 12.201 4.966 5.786 496 HB THR 73 HB THR 73 11.373 4.930 8.689 497 HG1 THR 73 1HG THR 73 13.722 5.466 8.040 498 HG21 THR 73 1HG2 THR 73 12.232 2.447 8.130 499 HG22 THR 73 2HG2 THR 73 11.659 2.924 6.531 500 HG23 THR 73 3HG2 THR 73 10.559 2.958 7.910 501 H TYR 74 H TYR 74 10.272 3.946 5.227 502 HA TYR 74 HA TYR 74 7.755 5.089 6.132 503 HB2 TYR 74 1HB TYR 74 8.641 5.161 3.243 504 HB3 TYR 74 2HB TYR 74 6.978 5.406 3.764 505 HD1 TYR 74 1HD TYR 74 6.528 7.339 5.397 506 HD2 TYR 74 2HD TYR 74 10.128 6.961 3.159 507 HE1 TYR 74 1HE TYR 74 6.981 9.732 5.732 508 HE2 TYR 74 2HE TYR 74 10.591 9.353 3.490 509 HH TYR 74 HH TYR 74 10.018 11.166 4.876 510 H TYR 75 H TYR 75 5.930 3.782 5.654 511 HA TYR 75 HA TYR 75 6.509 1.131 4.539 512 HB2 TYR 75 1HB TYR 75 4.986 1.575 7.114 513 HB3 TYR 75 2HB TYR 75 5.345 0.025 6.361 514 HD1 TYR 75 1HD TYR 75 6.830 2.916 8.114 515 HD2 TYR 75 2HD TYR 75 7.449 -1.041 6.680 516 HE1 TYR 75 1HE TYR 75 8.924 2.785 9.398 517 HE2 TYR 75 2HE TYR 75 9.543 -1.184 7.960 518 HH TYR 75 HH TYR 75 10.839 1.600 9.681 519 H CYS 76 H CYS 76 4.494 -0.108 4.076 520 HA CYS 76 HA CYS 76 2.037 1.379 3.843 521 HB2 CYS 76 1HB CYS 76 1.865 1.414 1.470 522 HB3 CYS 76 2HB CYS 76 3.444 2.089 1.857 523 HG CYS 76 HG CYS 76 3.935 -1.080 1.481 524 H ARG 77 H ARG 77 0.330 0.044 3.927 525 HA ARG 77 HA ARG 77 0.729 -2.789 3.250 526 HB2 ARG 77 1HB ARG 77 -0.718 -3.345 5.247 527 HB3 ARG 77 2HB ARG 77 0.901 -2.770 5.620 528 HG2 ARG 77 1HG ARG 77 0.082 -0.624 6.240 529 HG3 ARG 77 2HG ARG 77 -1.529 -0.999 5.625 530 HD2 ARG 77 1HD ARG 77 -1.826 -2.685 7.336 531 HD3 ARG 77 2HD ARG 77 -0.179 -2.429 7.910 532 HE ARG 77 HE ARG 77 -1.752 -0.041 7.967 533 HH11 ARG 77 1HH1 ARG 77 -1.006 -2.978 9.681 534 HH12 ARG 77 2HH1 ARG 77 -1.436 -2.336 11.232 535 HH21 ARG 77 1HH2 ARG 77 -2.322 0.816 10.003 536 HH22 ARG 77 2HH2 ARG 77 -2.185 -0.179 11.414 537 H VAL 78 H VAL 78 -0.717 -3.437 1.810 538 HA VAL 78 HA VAL 78 -3.262 -1.972 1.606 539 HB VAL 78 HB VAL 78 -1.839 -1.898 -0.411 540 HG11 VAL 78 1HG1 VAL 78 -1.585 -3.976 -1.750 541 HG12 VAL 78 2HG1 VAL 78 -0.689 -4.002 -0.230 542 HG13 VAL 78 3HG1 VAL 78 -2.206 -4.891 -0.376 543 HG21 VAL 78 1HG2 VAL 78 -3.588 -2.124 -1.886 544 HG22 VAL 78 2HG2 VAL 78 -4.164 -3.618 -1.145 545 HG23 VAL 78 3HG2 VAL 78 -4.456 -2.071 -0.351 546 H GLN 79 H GLN 79 -5.197 -3.055 1.567 547 HA GLN 79 HA GLN 79 -5.138 -5.975 1.839 548 HB2 GLN 79 1HB GLN 79 -6.554 -5.977 3.741 549 HB3 GLN 79 2HB GLN 79 -5.264 -4.834 4.094 550 HG2 GLN 79 1HG GLN 79 -6.676 -2.980 3.750 551 HG3 GLN 79 2HG GLN 79 -7.924 -3.975 3.003 552 HE21 GLN 79 1HE2 GLN 79 -9.184 -5.335 4.320 553 HE22 GLN 79 2HE2 GLN 79 -9.339 -5.050 6.017 554 H ALA 80 H ALA 80 -7.198 -7.007 1.405 555 HA ALA 80 HA ALA 80 -8.766 -5.469 -0.542 556 HB1 ALA 80 1HB ALA 80 -7.858 -8.232 -0.386 557 HB2 ALA 80 2HB ALA 80 -9.565 -8.084 -0.803 558 HB3 ALA 80 3HB ALA 80 -8.345 -7.275 -1.785 559 H LEU 81 H LEU 81 -10.720 -4.781 0.010 560 HA LEU 81 HA LEU 81 -12.045 -5.993 2.330 561 HB2 LEU 81 1HB LEU 81 -12.292 -3.327 0.975 562 HB3 LEU 81 2HB LEU 81 -13.520 -3.907 2.099 563 HG LEU 81 HG LEU 81 -11.386 -4.199 3.664 564 HD11 LEU 81 1HD1 LEU 81 -10.634 -2.006 1.741 565 HD12 LEU 81 2HD1 LEU 81 -9.735 -3.483 2.089 566 HD13 LEU 81 3HD1 LEU 81 -9.895 -2.235 3.325 567 HD21 LEU 81 1HD2 LEU 81 -11.906 -1.531 4.036 568 HD22 LEU 81 2HD2 LEU 81 -12.839 -2.865 4.715 569 HD23 LEU 81 3HD2 LEU 81 -13.359 -2.098 3.214 570 H SER 82 H SER 82 -13.974 -6.995 2.184 571 HA SER 82 HA SER 82 -15.257 -7.071 -0.470 572 HB2 SER 82 1HB SER 82 -16.055 -9.377 0.236 573 HB3 SER 82 2HB SER 82 -14.326 -9.232 -0.080 574 HG SER 82 HG SER 82 -14.088 -9.985 1.859 575 H VAL 83 H VAL 83 -17.594 -8.228 0.003 576 HA VAL 83 HA VAL 83 -18.982 -6.248 1.624 577 HB VAL 83 HB VAL 83 -21.042 -7.471 0.659 578 HG11 VAL 83 1HG1 VAL 83 -20.377 -5.271 -0.074 579 HG12 VAL 83 2HG1 VAL 83 -19.127 -5.958 -1.114 580 HG13 VAL 83 3HG1 VAL 83 -20.830 -6.240 -1.476 581 HG21 VAL 83 1HG2 VAL 83 -19.141 -8.384 -1.461 582 HG22 VAL 83 2HG2 VAL 83 -19.469 -9.411 -0.065 583 HG23 VAL 83 3HG2 VAL 83 -20.788 -8.920 -1.127 584 H VAL 84 H VAL 84 -17.773 -9.350 2.016 585 HA VAL 84 HA VAL 84 -19.805 -10.108 3.989 586 HB VAL 84 HB VAL 84 -18.850 -11.709 2.168 587 HG11 VAL 84 1HG1 VAL 84 -16.906 -13.005 2.953 588 HG12 VAL 84 2HG1 VAL 84 -16.499 -11.322 2.611 589 HG13 VAL 84 3HG1 VAL 84 -16.700 -11.861 4.279 590 HG21 VAL 84 1HG2 VAL 84 -20.388 -12.307 4.023 591 HG22 VAL 84 2HG2 VAL 84 -19.275 -13.605 3.589 592 HG23 VAL 84 3HG2 VAL 84 -18.982 -12.637 5.034 593 H GLY 85 H GLY 85 -16.661 -8.793 3.740 594 HA2 GLY 85 1HA GLY 85 -16.392 -8.163 6.419 595 HA3 GLY 85 2HA GLY 85 -15.596 -9.716 6.213 596 H ALA 86 H ALA 86 -13.475 -9.415 6.154 597 HA ALA 86 HA ALA 86 -12.308 -7.748 4.121 598 HB1 ALA 86 1HB ALA 86 -12.119 -6.976 7.014 599 HB2 ALA 86 2HB ALA 86 -10.875 -6.518 5.850 600 HB3 ALA 86 3HB ALA 86 -12.537 -5.973 5.625 601 H GLY 87 H GLY 87 -9.937 -7.967 4.044 602 HA2 GLY 87 1HA GLY 87 -9.129 -10.591 5.120 603 HA3 GLY 87 2HA GLY 87 -8.503 -9.875 3.642 604 HA PRO 88 HA PRO 88 -5.682 -9.051 7.344 605 HB2 PRO 88 1HB PRO 88 -3.578 -10.543 6.499 606 HB3 PRO 88 2HB PRO 88 -4.872 -11.195 7.511 607 HG2 PRO 88 1HG PRO 88 -4.486 -11.419 4.550 608 HG3 PRO 88 2HG PRO 88 -4.987 -12.664 5.711 609 HD2 PRO 88 1HD PRO 88 -6.751 -11.356 4.127 610 HD3 PRO 88 2HD PRO 88 -7.168 -11.922 5.758 611 H PHE 89 H PHE 89 -3.421 -8.138 7.184 612 HA PHE 89 HA PHE 89 -3.276 -6.438 4.808 613 HB2 PHE 89 1HB PHE 89 -2.327 -6.216 7.620 614 HB3 PHE 89 2HB PHE 89 -1.383 -5.397 6.379 615 HD1 PHE 89 2HD PHE 89 -2.809 -3.948 4.700 616 HD2 PHE 89 1HD PHE 89 -4.059 -5.082 8.607 617 HE1 PHE 89 2HE PHE 89 -4.395 -2.068 4.734 618 HE2 PHE 89 1HE PHE 89 -5.649 -3.205 8.648 619 HZ PHE 89 HZ PHE 89 -5.817 -1.694 6.711 620 H SER 90 H SER 90 -1.674 -6.546 3.347 621 HA SER 90 HA SER 90 -0.094 -8.798 3.053 622 HB2 SER 90 1HB SER 90 0.967 -7.685 1.246 623 HB3 SER 90 2HB SER 90 -0.665 -7.018 1.309 624 HG SER 90 HG SER 90 1.627 -5.822 2.483 625 H GLU 91 H GLU 91 2.436 -8.506 2.727 626 HA GLU 91 HA GLU 91 3.502 -8.200 5.353 627 HB2 GLU 91 1HB GLU 91 4.847 -8.662 2.688 628 HB3 GLU 91 2HB GLU 91 5.692 -8.672 4.228 629 HG2 GLU 91 1HG GLU 91 4.198 -10.521 4.962 630 HG3 GLU 91 2HG GLU 91 3.538 -10.566 3.328 631 H VAL 92 H VAL 92 3.915 -6.306 6.266 632 HA VAL 92 HA VAL 92 3.899 -3.816 5.222 633 HB VAL 92 HB VAL 92 5.780 -4.774 7.383 634 HG11 VAL 92 1HG1 VAL 92 4.795 -2.014 7.454 635 HG12 VAL 92 2HG1 VAL 92 6.403 -2.655 7.791 636 HG13 VAL 92 3HG1 VAL 92 5.899 -2.365 6.126 637 HG21 VAL 92 1HG2 VAL 92 4.050 -4.036 8.929 638 HG22 VAL 92 2HG2 VAL 92 3.023 -3.560 7.577 639 HG23 VAL 92 3HG2 VAL 92 3.416 -5.260 7.829 640 H VAL 93 H VAL 93 4.934 -2.916 3.578 641 HA VAL 93 HA VAL 93 7.605 -3.873 2.853 642 HB VAL 93 HB VAL 93 5.762 -2.043 1.307 643 HG11 VAL 93 1HG1 VAL 93 7.251 -2.633 -0.594 644 HG12 VAL 93 2HG1 VAL 93 8.053 -1.699 0.671 645 HG13 VAL 93 3HG1 VAL 93 8.324 -3.438 0.550 646 HG21 VAL 93 1HG2 VAL 93 6.308 -4.973 0.853 647 HG22 VAL 93 2HG2 VAL 93 4.867 -4.342 1.650 648 HG23 VAL 93 3HG2 VAL 93 5.185 -3.946 -0.039 649 H ALA 94 H ALA 94 9.171 -2.829 3.917 650 HA ALA 94 HA ALA 94 8.914 -0.066 4.695 651 HB1 ALA 94 1HB ALA 94 11.053 -0.337 5.749 652 HB2 ALA 94 2HB ALA 94 10.073 -1.764 6.091 653 HB3 ALA 94 3HB ALA 94 11.345 -1.840 4.872 654 H CYS 95 H CYS 95 10.173 1.667 3.969 655 HA CYS 95 HA CYS 95 12.034 1.371 1.809 656 HB2 CYS 95 1HB CYS 95 10.825 2.468 0.082 657 HB3 CYS 95 2HB CYS 95 9.759 1.212 0.701 658 HG CYS 95 HG CYS 95 9.533 4.571 1.295 659 H VAL 96 H VAL 96 13.514 2.916 2.010 660 HA VAL 96 HA VAL 96 12.778 5.363 3.478 661 HB VAL 96 HB VAL 96 15.482 4.029 3.284 662 HG11 VAL 96 1HG1 VAL 96 16.433 5.813 4.280 663 HG12 VAL 96 2HG1 VAL 96 15.068 6.682 3.576 664 HG13 VAL 96 3HG1 VAL 96 15.009 6.160 5.260 665 HG21 VAL 96 1HG2 VAL 96 14.483 4.336 5.946 666 HG22 VAL 96 2HG2 VAL 96 13.285 3.493 4.966 667 HG23 VAL 96 3HG2 VAL 96 14.926 2.860 5.089 668 H THR 97 H THR 97 12.782 7.178 2.343 669 HA THR 97 HA THR 97 13.573 7.312 -0.360 670 HB THR 97 HB THR 97 13.157 9.724 -0.201 671 HG1 THR 97 1HG THR 97 13.145 9.159 2.580 672 HG21 THR 97 1HG2 THR 97 11.303 7.657 0.439 673 HG22 THR 97 2HG2 THR 97 11.006 9.186 -0.390 674 HG23 THR 97 3HG2 THR 97 10.879 9.095 1.367 675 HA PRO 98 HA PRO 98 17.869 8.220 -0.170 676 HB2 PRO 98 1HB PRO 98 18.147 9.740 -2.402 677 HB3 PRO 98 2HB PRO 98 17.883 7.993 -2.456 678 HG2 PRO 98 1HG PRO 98 15.915 10.220 -2.820 679 HG3 PRO 98 2HG PRO 98 16.086 8.716 -3.744 680 HD2 PRO 98 1HD PRO 98 14.208 9.038 -1.820 681 HD3 PRO 98 2HD PRO 98 14.964 7.469 -2.162 682 HA PRO 99 HA PRO 99 18.387 12.122 1.818 683 HB2 PRO 99 1HB PRO 99 21.076 12.397 1.568 684 HB3 PRO 99 2HB PRO 99 20.328 11.256 2.692 685 HG2 PRO 99 1HG PRO 99 21.482 10.757 -0.025 686 HG3 PRO 99 2HG PRO 99 21.653 9.798 1.456 687 HD2 PRO 99 1HD PRO 99 19.928 9.130 -0.522 688 HD3 PRO 99 2HD PRO 99 19.597 8.789 1.189 689 H SER 100 H SER 100 18.233 14.205 1.222 690 HA SER 100 HA SER 100 18.855 14.882 -1.559 691 HB2 SER 100 1HB SER 100 16.602 15.414 -0.998 692 HB3 SER 100 2HB SER 100 17.085 16.181 0.515 693 HG SER 100 HG SER 100 16.785 17.310 -1.858 694 H SER 101 H SER 101 21.133 15.062 -1.210 695 HA SER 101 HA SER 101 21.884 17.701 -0.227 696 HB2 SER 101 1HB SER 101 22.244 16.269 1.718 697 HB3 SER 101 2HB SER 101 23.203 15.154 0.745 698 HG SER 101 HG SER 101 24.515 16.606 1.933 699 H GLY 102 H GLY 102 22.710 18.549 -2.032 700 HA2 GLY 102 1HA GLY 102 25.149 18.083 -3.074 701 HA3 GLY 102 2HA GLY 102 24.160 16.910 -3.932 702 HA PRO 103 HA PRO 103 23.838 21.416 -5.621 703 HB2 PRO 103 1HB PRO 103 25.932 21.499 -7.347 704 HB3 PRO 103 2HB PRO 103 26.045 22.051 -5.672 705 HG2 PRO 103 1HG PRO 103 26.904 19.445 -6.868 706 HG3 PRO 103 2HG PRO 103 27.749 20.470 -5.693 707 HD2 PRO 103 1HD PRO 103 26.367 18.256 -4.969 708 HD3 PRO 103 2HD PRO 103 26.499 19.684 -3.922 709 H SER 104 H SER 104 24.623 18.296 -6.984 710 HA SER 104 HA SER 104 23.266 18.981 -9.491 711 HB2 SER 104 1HB SER 104 25.473 17.881 -9.658 712 HB3 SER 104 2HB SER 104 24.840 16.498 -8.767 713 HG SER 104 HG SER 104 24.635 15.970 -10.885 714 H SER 105 H SER 105 21.606 17.625 -10.334 715 HA SER 105 HA SER 105 19.566 17.005 -8.570 716 HB2 SER 105 1HB SER 105 19.212 17.342 -10.980 717 HB3 SER 105 2HB SER 105 20.040 15.823 -11.318 718 HG SER 105 HG SER 105 17.825 15.871 -9.585 719 H GLY 106 H GLY 106 21.958 14.828 -10.041 720 HA2 GLY 106 1HA GLY 106 20.936 12.471 -8.816 721 HA3 GLY 106 2HA GLY 106 22.516 12.648 -9.565 Start of MODEL 12 1 H1 GLY 1 H GLY 1 -16.159 -22.212 15.436 2 HA2 GLY 1 1HA GLY 1 -17.320 -23.952 17.094 3 HA3 GLY 1 2HA GLY 1 -16.859 -22.683 18.220 4 H SER 2 H SER 2 -17.643 -20.470 17.688 5 HA SER 2 HA SER 2 -20.372 -20.640 16.605 6 HB2 SER 2 1HB SER 2 -19.189 -18.649 18.558 7 HB3 SER 2 2HB SER 2 -20.857 -18.645 17.981 8 HG SER 2 HG SER 2 -19.813 -20.969 19.156 9 H SER 3 H SER 3 -17.765 -18.223 16.929 10 HA SER 3 HA SER 3 -18.740 -16.681 14.723 11 HB2 SER 3 1HB SER 3 -16.835 -15.252 15.103 12 HB3 SER 3 2HB SER 3 -17.478 -15.727 16.675 13 HG SER 3 HG SER 3 -15.275 -15.994 16.744 14 H GLY 4 H GLY 4 -18.394 -17.025 12.635 15 HA2 GLY 4 1HA GLY 4 -16.191 -18.835 11.873 16 HA3 GLY 4 2HA GLY 4 -17.675 -18.621 10.957 17 H SER 5 H SER 5 -14.552 -18.095 10.701 18 HA SER 5 HA SER 5 -14.355 -15.345 10.020 19 HB2 SER 5 1HB SER 5 -12.631 -17.737 9.362 20 HB3 SER 5 2HB SER 5 -12.227 -16.099 8.852 21 HG SER 5 HG SER 5 -12.362 -17.167 11.454 22 H SER 6 H SER 6 -14.111 -14.411 7.931 23 HA SER 6 HA SER 6 -14.796 -15.911 5.577 24 HB2 SER 6 1HB SER 6 -16.853 -14.718 5.041 25 HB3 SER 6 2HB SER 6 -17.030 -15.534 6.594 26 HG SER 6 HG SER 6 -17.605 -13.118 6.239 27 H GLY 7 H GLY 7 -14.209 -14.870 3.704 28 HA2 GLY 7 1HA GLY 7 -13.970 -12.449 2.809 29 HA3 GLY 7 2HA GLY 7 -12.782 -12.329 4.098 30 HA PRO 8 HA PRO 8 -10.867 -13.915 0.082 31 HB2 PRO 8 1HB PRO 8 -9.258 -11.778 -0.379 32 HB3 PRO 8 2HB PRO 8 -10.906 -11.893 -1.008 33 HG2 PRO 8 1HG PRO 8 -9.893 -10.428 1.399 34 HG3 PRO 8 2HG PRO 8 -11.060 -9.896 0.174 35 HD2 PRO 8 1HD PRO 8 -11.818 -10.825 2.602 36 HD3 PRO 8 2HD PRO 8 -12.797 -11.064 1.141 37 H ASP 9 H ASP 9 -8.424 -14.047 -0.322 38 HA ASP 9 HA ASP 9 -7.182 -14.915 2.134 39 HB2 ASP 9 1HB ASP 9 -7.070 -15.992 -0.262 40 HB3 ASP 9 2HB ASP 9 -5.741 -14.858 -0.490 41 H GLN 10 H GLN 10 -4.955 -14.303 2.693 42 HA GLN 10 HA GLN 10 -4.627 -11.656 3.251 43 HB2 GLN 10 1HB GLN 10 -3.254 -13.522 4.171 44 HB3 GLN 10 2HB GLN 10 -2.361 -13.565 2.656 45 HG2 GLN 10 1HG GLN 10 -1.794 -11.134 3.088 46 HG3 GLN 10 2HG GLN 10 -2.420 -11.387 4.716 47 HE21 GLN 10 1HE2 GLN 10 0.181 -10.618 4.281 48 HE22 GLN 10 2HE2 GLN 10 1.244 -11.908 4.719 49 H CYS 11 H CYS 11 -3.449 -9.928 2.369 50 HA CYS 11 HA CYS 11 -3.331 -9.972 -0.545 51 HB2 CYS 11 1HB CYS 11 -3.420 -7.808 1.526 52 HB3 CYS 11 2HB CYS 11 -2.839 -7.440 -0.093 53 HG CYS 11 HG CYS 11 -5.889 -8.880 0.437 54 H LYS 12 H LYS 12 -1.502 -9.741 -1.724 55 HA LYS 12 HA LYS 12 0.997 -10.274 -0.438 56 HB2 LYS 12 1HB LYS 12 1.912 -10.451 -2.619 57 HB3 LYS 12 2HB LYS 12 0.287 -11.117 -2.718 58 HG2 LYS 12 1HG LYS 12 -0.486 -9.412 -4.018 59 HG3 LYS 12 2HG LYS 12 0.660 -8.242 -3.360 60 HD2 LYS 12 1HD LYS 12 1.447 -8.595 -5.520 61 HD3 LYS 12 2HD LYS 12 2.453 -9.672 -4.547 62 HE2 LYS 12 1HE LYS 12 -0.086 -10.630 -5.828 63 HE3 LYS 12 2HE LYS 12 1.432 -10.586 -6.725 64 HZ1 LYS 12 1HZ LYS 12 1.191 -12.742 -5.795 65 HZ2 LYS 12 2HZ LYS 12 0.853 -12.127 -4.257 66 HZ3 LYS 12 3HZ LYS 12 2.403 -11.959 -4.913 67 HA PRO 13 HA PRO 13 2.553 -6.209 0.144 68 HB2 PRO 13 1HB PRO 13 5.209 -6.618 -0.241 69 HB3 PRO 13 2HB PRO 13 4.349 -7.181 1.197 70 HG2 PRO 13 1HG PRO 13 5.133 -8.703 -1.259 71 HG3 PRO 13 2HG PRO 13 5.237 -9.193 0.441 72 HD2 PRO 13 1HD PRO 13 3.244 -10.022 -1.194 73 HD3 PRO 13 2HD PRO 13 3.005 -9.759 0.545 74 HA PRO 14 HA PRO 14 2.656 -4.587 -4.015 75 HB2 PRO 14 1HB PRO 14 2.711 -1.971 -3.293 76 HB3 PRO 14 2HB PRO 14 1.240 -2.950 -3.247 77 HG2 PRO 14 1HG PRO 14 3.093 -2.210 -1.015 78 HG3 PRO 14 2HG PRO 14 1.320 -2.235 -1.036 79 HD2 PRO 14 1HD PRO 14 2.792 -4.223 0.066 80 HD3 PRO 14 2HD PRO 14 1.222 -4.515 -0.712 81 H GLN 15 H GLN 15 4.037 -2.968 -5.200 82 HA GLN 15 HA GLN 15 6.809 -3.180 -4.248 83 HB2 GLN 15 1HB GLN 15 6.468 -4.298 -6.356 84 HB3 GLN 15 2HB GLN 15 5.688 -2.876 -7.035 85 HG2 GLN 15 1HG GLN 15 7.882 -1.669 -6.674 86 HG3 GLN 15 2HG GLN 15 8.584 -3.253 -6.349 87 HE21 GLN 15 1HE2 GLN 15 6.967 -1.288 -8.758 88 HE22 GLN 15 2HE2 GLN 15 7.534 -2.168 -10.133 89 H VAL 16 H VAL 16 7.675 -1.390 -3.457 90 HA VAL 16 HA VAL 16 6.516 1.203 -4.131 91 HB VAL 16 HB VAL 16 8.016 2.063 -2.322 92 HG11 VAL 16 1HG1 VAL 16 6.211 -0.201 -1.479 93 HG12 VAL 16 2HG1 VAL 16 6.687 1.190 -0.503 94 HG13 VAL 16 3HG1 VAL 16 5.665 1.415 -1.923 95 HG21 VAL 16 1HG2 VAL 16 9.392 -0.270 -2.683 96 HG22 VAL 16 2HG2 VAL 16 9.555 0.800 -1.291 97 HG23 VAL 16 3HG2 VAL 16 8.485 -0.599 -1.206 98 H THR 17 H THR 17 7.665 2.895 -5.027 99 HA THR 17 HA THR 17 10.410 2.371 -5.911 100 HB THR 17 HB THR 17 8.229 3.369 -7.754 101 HG1 THR 17 1HG THR 17 9.435 0.863 -7.349 102 HG21 THR 17 1HG2 THR 17 11.197 3.033 -8.070 103 HG22 THR 17 2HG2 THR 17 10.193 4.431 -8.456 104 HG23 THR 17 3HG2 THR 17 10.114 2.984 -9.461 105 H CYS 18 H CYS 18 11.486 3.940 -4.884 106 HA CYS 18 HA CYS 18 10.400 6.452 -4.186 107 HB2 CYS 18 1HB CYS 18 12.763 7.061 -3.655 108 HB3 CYS 18 2HB CYS 18 12.241 5.550 -2.919 109 HG CYS 18 HG CYS 18 14.975 5.926 -4.333 110 H ARG 19 H ARG 19 9.499 7.065 -6.280 111 HA ARG 19 HA ARG 19 10.797 7.503 -8.634 112 HB2 ARG 19 1HB ARG 19 8.748 9.284 -7.308 113 HB3 ARG 19 2HB ARG 19 9.228 9.414 -8.994 114 HG2 ARG 19 1HG ARG 19 8.285 6.776 -8.014 115 HG3 ARG 19 2HG ARG 19 7.093 8.057 -8.251 116 HD2 ARG 19 1HD ARG 19 8.282 8.340 -10.557 117 HD3 ARG 19 2HD ARG 19 8.845 6.698 -10.252 118 HE ARG 19 HE ARG 19 6.014 7.010 -9.910 119 HH11 ARG 19 1HH1 ARG 19 8.560 6.443 -12.215 120 HH12 ARG 19 2HH1 ARG 19 7.530 5.640 -13.353 121 HH21 ARG 19 1HH2 ARG 19 4.647 5.954 -11.400 122 HH22 ARG 19 2HH2 ARG 19 5.304 5.363 -12.888 123 H SER 20 H SER 20 10.938 9.495 -5.734 124 HA SER 20 HA SER 20 13.414 10.674 -6.620 125 HB2 SER 20 1HB SER 20 10.860 12.219 -6.600 126 HB3 SER 20 2HB SER 20 12.323 13.032 -6.045 127 HG SER 20 HG SER 20 12.433 11.592 -8.439 128 H ALA 21 H ALA 21 13.861 12.613 -4.885 129 HA ALA 21 HA ALA 21 14.242 11.288 -2.429 130 HB1 ALA 21 1HB ALA 21 15.429 13.380 -3.550 131 HB2 ALA 21 2HB ALA 21 14.319 14.252 -2.492 132 HB3 ALA 21 3HB ALA 21 15.466 13.101 -1.808 133 H THR 22 H THR 22 11.759 13.478 -3.577 134 HA THR 22 HA THR 22 10.375 13.182 -0.991 135 HB THR 22 HB THR 22 9.371 15.336 -1.253 136 HG1 THR 22 1HG THR 22 10.586 15.318 -3.827 137 HG21 THR 22 1HG2 THR 22 11.883 16.428 -2.050 138 HG22 THR 22 2HG2 THR 22 12.178 14.978 -1.091 139 HG23 THR 22 3HG2 THR 22 11.206 16.291 -0.429 140 H CYS 23 H CYS 23 10.278 11.511 -3.452 141 HA CYS 23 HA CYS 23 7.370 11.571 -3.782 142 HB2 CYS 23 1HB CYS 23 9.220 11.162 -6.132 143 HB3 CYS 23 2HB CYS 23 7.470 11.348 -6.160 144 HG CYS 23 HG CYS 23 7.886 14.065 -4.992 145 H ALA 24 H ALA 24 6.465 9.543 -4.496 146 HA ALA 24 HA ALA 24 8.154 7.212 -4.623 147 HB1 ALA 24 1HB ALA 24 6.864 7.989 -2.121 148 HB2 ALA 24 2HB ALA 24 6.487 6.343 -2.632 149 HB3 ALA 24 3HB ALA 24 8.166 6.836 -2.418 150 H GLN 25 H GLN 25 6.941 5.251 -5.094 151 HA GLN 25 HA GLN 25 4.181 5.712 -5.974 152 HB2 GLN 25 1HB GLN 25 6.034 5.859 -7.825 153 HB3 GLN 25 2HB GLN 25 6.025 4.104 -7.700 154 HG2 GLN 25 1HG GLN 25 3.667 5.852 -8.368 155 HG3 GLN 25 2HG GLN 25 4.584 4.853 -9.495 156 HE21 GLN 25 1HE2 GLN 25 1.720 4.917 -8.404 157 HE22 GLN 25 2HE2 GLN 25 1.408 3.265 -8.005 158 H VAL 26 H VAL 26 2.836 3.921 -5.914 159 HA VAL 26 HA VAL 26 4.003 1.461 -4.786 160 HB VAL 26 HB VAL 26 1.246 2.379 -4.036 161 HG11 VAL 26 1HG1 VAL 26 1.793 1.004 -2.008 162 HG12 VAL 26 2HG1 VAL 26 1.707 0.101 -3.521 163 HG13 VAL 26 3HG1 VAL 26 3.275 0.511 -2.825 164 HG21 VAL 26 1HG2 VAL 26 2.941 4.168 -3.504 165 HG22 VAL 26 2HG2 VAL 26 2.053 3.527 -2.121 166 HG23 VAL 26 3HG2 VAL 26 3.711 3.006 -2.423 167 H ASN 27 H ASN 27 3.006 -0.490 -5.360 168 HA ASN 27 HA ASN 27 0.839 -0.404 -7.311 169 HB2 ASN 27 1HB ASN 27 3.447 -1.832 -7.874 170 HB3 ASN 27 2HB ASN 27 2.030 -1.791 -8.919 171 HD21 ASN 27 1HD2 ASN 27 1.353 0.355 -9.686 172 HD22 ASN 27 2HD2 ASN 27 2.579 1.519 -10.042 173 H TRP 28 H TRP 28 -0.591 -1.971 -6.945 174 HA TRP 28 HA TRP 28 0.296 -4.433 -5.617 175 HB2 TRP 28 1HB TRP 28 -1.579 -4.383 -4.082 176 HB3 TRP 28 2HB TRP 28 -0.648 -2.898 -3.908 177 HD1 TRP 28 HD TRP 28 -4.012 -4.180 -5.232 178 HE1 TRP 28 1HE TRP 28 -5.614 -2.180 -5.466 179 HE3 TRP 28 3HE TRP 28 -0.728 -0.390 -4.235 180 HZ2 TRP 28 2HZ TRP 28 -5.500 0.633 -5.256 181 HZ3 TRP 28 3HZ TRP 28 -1.555 1.926 -4.272 182 HH2 TRP 28 HH TRP 28 -3.892 2.425 -4.773 183 H GLU 29 H GLU 29 -1.851 -5.918 -5.480 184 HA GLU 29 HA GLU 29 -3.434 -5.708 -7.907 185 HB2 GLU 29 1HB GLU 29 -2.837 -7.965 -8.677 186 HB3 GLU 29 2HB GLU 29 -1.450 -6.885 -8.689 187 HG2 GLU 29 1HG GLU 29 -0.592 -8.844 -7.815 188 HG3 GLU 29 2HG GLU 29 -0.921 -7.876 -6.379 189 H VAL 30 H VAL 30 -4.959 -7.683 -8.039 190 HA VAL 30 HA VAL 30 -6.187 -7.958 -5.415 191 HB VAL 30 HB VAL 30 -7.212 -8.910 -8.092 192 HG11 VAL 30 1HG1 VAL 30 -9.191 -9.450 -7.078 193 HG12 VAL 30 2HG1 VAL 30 -8.064 -9.828 -5.773 194 HG13 VAL 30 3HG1 VAL 30 -8.955 -8.306 -5.758 195 HG21 VAL 30 1HG2 VAL 30 -8.770 -6.843 -7.628 196 HG22 VAL 30 2HG2 VAL 30 -7.381 -6.284 -6.695 197 HG23 VAL 30 3HG2 VAL 30 -7.203 -6.639 -8.413 198 HA PRO 31 HA PRO 31 -4.527 -12.012 -4.777 199 HB2 PRO 31 1HB PRO 31 -6.128 -12.713 -2.700 200 HB3 PRO 31 2HB PRO 31 -4.779 -11.583 -2.534 201 HG2 PRO 31 1HG PRO 31 -7.702 -11.011 -2.837 202 HG3 PRO 31 2HG PRO 31 -6.520 -10.253 -1.755 203 HD2 PRO 31 1HD PRO 31 -7.325 -9.101 -4.069 204 HD3 PRO 31 2HD PRO 31 -5.688 -8.887 -3.415 205 H LEU 32 H LEU 32 -5.485 -14.281 -4.377 206 HA LEU 32 HA LEU 32 -7.291 -14.838 -6.537 207 HB2 LEU 32 1HB LEU 32 -5.721 -16.454 -4.588 208 HB3 LEU 32 2HB LEU 32 -7.056 -17.224 -5.444 209 HG LEU 32 HG LEU 32 -5.974 -16.654 -7.586 210 HD11 LEU 32 1HD1 LEU 32 -4.747 -14.675 -6.821 211 HD12 LEU 32 2HD1 LEU 32 -3.690 -15.838 -7.621 212 HD13 LEU 32 3HD1 LEU 32 -3.688 -15.710 -5.863 213 HD21 LEU 32 1HD2 LEU 32 -5.568 -18.803 -6.286 214 HD22 LEU 32 2HD2 LEU 32 -4.017 -18.102 -5.825 215 HD23 LEU 32 3HD2 LEU 32 -4.386 -18.385 -7.527 216 H SER 33 H SER 33 -9.310 -14.058 -6.081 217 HA SER 33 HA SER 33 -10.707 -15.361 -3.840 218 HB2 SER 33 1HB SER 33 -11.117 -12.514 -4.785 219 HB3 SER 33 2HB SER 33 -12.031 -13.317 -3.510 220 HG SER 33 HG SER 33 -9.719 -12.026 -3.311 221 H ASN 34 H ASN 34 -12.165 -16.712 -4.635 222 HA ASN 34 HA ASN 34 -13.465 -16.059 -7.190 223 HB2 ASN 34 1HB ASN 34 -13.234 -18.733 -5.788 224 HB3 ASN 34 2HB ASN 34 -13.972 -18.456 -7.364 225 HD21 ASN 34 1HD2 ASN 34 -10.951 -18.246 -5.573 226 HD22 ASN 34 2HD2 ASN 34 -9.914 -18.457 -6.938 227 H GLY 35 H GLY 35 -15.411 -15.177 -6.984 228 HA2 GLY 35 1HA GLY 35 -17.745 -15.918 -6.329 229 HA3 GLY 35 2HA GLY 35 -17.089 -16.010 -4.702 230 H THR 36 H THR 36 -16.300 -14.008 -3.732 231 HA THR 36 HA THR 36 -18.028 -11.777 -4.484 232 HB THR 36 HB THR 36 -18.021 -12.515 -2.127 233 HG1 THR 36 1HG THR 36 -17.540 -10.338 -1.274 234 HG21 THR 36 1HG2 THR 36 -15.181 -11.491 -2.065 235 HG22 THR 36 2HG2 THR 36 -15.635 -13.195 -2.044 236 HG23 THR 36 3HG2 THR 36 -16.101 -12.142 -0.709 237 H ASP 37 H ASP 37 -17.288 -9.722 -4.945 238 HA ASP 37 HA ASP 37 -14.506 -9.585 -5.831 239 HB2 ASP 37 1HB ASP 37 -16.029 -8.918 -7.527 240 HB3 ASP 37 2HB ASP 37 -16.937 -7.899 -6.413 241 H VAL 38 H VAL 38 -13.108 -7.904 -5.238 242 HA VAL 38 HA VAL 38 -13.323 -7.058 -2.535 243 HB VAL 38 HB VAL 38 -11.410 -5.990 -4.611 244 HG11 VAL 38 1HG1 VAL 38 -11.453 -4.696 -2.564 245 HG12 VAL 38 2HG1 VAL 38 -11.253 -6.163 -1.604 246 HG13 VAL 38 3HG1 VAL 38 -9.951 -5.616 -2.662 247 HG21 VAL 38 1HG2 VAL 38 -11.346 -8.521 -2.997 248 HG22 VAL 38 2HG2 VAL 38 -11.112 -8.312 -4.733 249 HG23 VAL 38 3HG2 VAL 38 -9.872 -7.767 -3.603 250 H THR 39 H THR 39 -14.823 -5.605 -1.972 251 HA THR 39 HA THR 39 -16.078 -3.709 -3.489 252 HB THR 39 HB THR 39 -16.522 -2.457 -1.396 253 HG1 THR 39 1HG THR 39 -14.576 -4.264 -0.379 254 HG21 THR 39 1HG2 THR 39 -18.035 -4.203 -1.738 255 HG22 THR 39 2HG2 THR 39 -17.438 -4.496 -0.105 256 HG23 THR 39 3HG2 THR 39 -16.814 -5.442 -1.454 257 H GLU 40 H GLU 40 -13.328 -3.010 -1.319 258 HA GLU 40 HA GLU 40 -12.281 -1.115 -3.260 259 HB2 GLU 40 1HB GLU 40 -12.456 0.797 -1.995 260 HB3 GLU 40 2HB GLU 40 -13.950 -0.016 -1.551 261 HG2 GLU 40 1HG GLU 40 -12.459 -1.009 0.368 262 HG3 GLU 40 2HG GLU 40 -11.482 0.422 0.042 263 H TYR 41 H TYR 41 -10.286 0.048 -1.972 264 HA TYR 41 HA TYR 41 -8.825 -2.030 -0.508 265 HB2 TYR 41 1HB TYR 41 -7.563 -0.477 -2.767 266 HB3 TYR 41 2HB TYR 41 -6.883 -1.840 -1.886 267 HD1 TYR 41 1HD TYR 41 -9.919 -1.048 -3.927 268 HD2 TYR 41 2HD TYR 41 -6.901 -3.884 -2.949 269 HE1 TYR 41 1HE TYR 41 -10.821 -2.583 -5.623 270 HE2 TYR 41 2HE TYR 41 -7.794 -5.427 -4.643 271 HH TYR 41 HH TYR 41 -9.481 -5.832 -6.059 272 H ARG 42 H ARG 42 -8.199 -1.172 1.350 273 HA ARG 42 HA ARG 42 -7.781 1.713 1.545 274 HB2 ARG 42 1HB ARG 42 -8.375 -0.472 3.482 275 HB3 ARG 42 2HB ARG 42 -7.500 0.935 4.072 276 HG2 ARG 42 1HG ARG 42 -9.304 2.389 3.333 277 HG3 ARG 42 2HG ARG 42 -10.176 0.995 2.692 278 HD2 ARG 42 1HD ARG 42 -9.853 0.115 5.165 279 HD3 ARG 42 2HD ARG 42 -9.739 1.840 5.509 280 HE ARG 42 HE ARG 42 -12.092 0.375 4.718 281 HH11 ARG 42 1HH1 ARG 42 -10.566 3.497 4.919 282 HH12 ARG 42 2HH1 ARG 42 -12.060 4.374 4.911 283 HH21 ARG 42 1HH2 ARG 42 -14.066 1.517 4.705 284 HH22 ARG 42 2HH2 ARG 42 -14.051 3.246 4.790 285 H LEU 43 H LEU 43 -5.781 2.330 1.012 286 HA LEU 43 HA LEU 43 -3.505 0.656 1.775 287 HB2 LEU 43 1HB LEU 43 -3.391 1.261 -0.487 288 HB3 LEU 43 2HB LEU 43 -3.859 2.927 -0.151 289 HG LEU 43 HG LEU 43 -1.563 2.951 1.147 290 HD11 LEU 43 1HD1 LEU 43 -1.508 0.439 -0.293 291 HD12 LEU 43 2HD1 LEU 43 -0.418 1.055 0.947 292 HD13 LEU 43 3HD1 LEU 43 -0.168 1.492 -0.743 293 HD21 LEU 43 1HD2 LEU 43 -1.278 3.017 -1.812 294 HD22 LEU 43 2HD2 LEU 43 -0.729 4.170 -0.596 295 HD23 LEU 43 3HD2 LEU 43 -2.430 4.117 -1.056 296 H GLU 44 H GLU 44 -2.617 1.064 3.684 297 HA GLU 44 HA GLU 44 -2.743 3.780 4.777 298 HB2 GLU 44 1HB GLU 44 -2.143 1.111 6.052 299 HB3 GLU 44 2HB GLU 44 -1.973 2.643 6.898 300 HG2 GLU 44 1HG GLU 44 -4.422 3.041 6.256 301 HG3 GLU 44 2HG GLU 44 -4.463 1.316 5.900 302 H TRP 45 H TRP 45 -1.028 5.058 4.685 303 HA TRP 45 HA TRP 45 1.641 3.823 4.505 304 HB2 TRP 45 1HB TRP 45 1.091 4.705 2.322 305 HB3 TRP 45 2HB TRP 45 0.604 6.246 3.021 306 HD1 TRP 45 HD TRP 45 2.822 7.425 4.503 307 HE1 TRP 45 1HE TRP 45 5.210 7.749 3.598 308 HE3 TRP 45 3HE TRP 45 2.747 3.955 0.750 309 HZ2 TRP 45 2HZ TRP 45 6.844 6.677 1.561 310 HZ3 TRP 45 3HZ TRP 45 4.762 3.666 -0.631 311 HH2 TRP 45 HH TRP 45 6.768 5.001 -0.232 312 H GLY 46 H GLY 46 3.110 4.528 5.934 313 HA2 GLY 46 1HA GLY 46 2.897 7.172 7.109 314 HA3 GLY 46 2HA GLY 46 2.619 5.842 8.224 315 H GLY 47 H GLY 47 4.823 7.957 7.766 316 HA2 GLY 47 1HA GLY 47 7.216 6.937 6.969 317 HA3 GLY 47 2HA GLY 47 7.053 8.004 8.356 318 H VAL 48 H VAL 48 5.715 6.393 10.144 319 HA VAL 48 HA VAL 48 7.724 4.300 10.648 320 HB VAL 48 HB VAL 48 6.121 6.021 12.518 321 HG11 VAL 48 1HG1 VAL 48 5.767 3.979 13.555 322 HG12 VAL 48 2HG1 VAL 48 7.323 3.329 13.037 323 HG13 VAL 48 3HG1 VAL 48 7.254 4.540 14.318 324 HG21 VAL 48 1HG2 VAL 48 8.067 7.122 12.454 325 HG22 VAL 48 2HG2 VAL 48 8.698 5.807 13.445 326 HG23 VAL 48 3HG2 VAL 48 8.908 5.771 11.694 327 H GLU 49 H GLU 49 7.091 2.246 10.641 328 HA GLU 49 HA GLU 49 4.569 1.390 9.887 329 HB2 GLU 49 1HB GLU 49 5.285 -0.819 10.375 330 HB3 GLU 49 2HB GLU 49 6.718 0.060 9.862 331 HG2 GLU 49 1HG GLU 49 5.967 -0.435 12.732 332 HG3 GLU 49 2HG GLU 49 7.088 -1.429 11.804 333 H GLY 50 H GLY 50 5.815 2.122 13.067 334 HA2 GLY 50 1HA GLY 50 3.895 0.812 14.638 335 HA3 GLY 50 2HA GLY 50 4.800 2.238 15.122 336 H SER 51 H SER 51 3.772 3.883 12.945 337 HA SER 51 HA SER 51 0.938 4.099 13.698 338 HB2 SER 51 1HB SER 51 1.882 5.776 15.046 339 HB3 SER 51 2HB SER 51 3.053 6.237 13.811 340 HG SER 51 HG SER 51 1.623 7.743 13.427 341 H MET 52 H MET 52 -0.023 3.581 11.823 342 HA MET 52 HA MET 52 0.771 5.105 9.429 343 HB2 MET 52 1HB MET 52 0.091 2.203 9.730 344 HB3 MET 52 2HB MET 52 -0.243 3.021 8.210 345 HG2 MET 52 1HG MET 52 1.975 3.319 7.721 346 HG3 MET 52 2HG MET 52 2.467 3.266 9.412 347 HE1 MET 52 1HE MET 52 3.081 1.413 6.278 348 HE2 MET 52 2HE MET 52 2.251 -0.135 6.441 349 HE3 MET 52 3HE MET 52 1.318 1.356 6.314 350 H GLN 53 H GLN 53 -0.897 5.763 8.033 351 HA GLN 53 HA GLN 53 -3.638 5.414 9.027 352 HB2 GLN 53 1HB GLN 53 -4.118 7.777 8.665 353 HB3 GLN 53 2HB GLN 53 -2.817 7.583 9.833 354 HG2 GLN 53 1HG GLN 53 -1.192 8.027 8.008 355 HG3 GLN 53 2HG GLN 53 -2.553 8.370 6.942 356 HE21 GLN 53 1HE2 GLN 53 -0.504 9.551 9.402 357 HE22 GLN 53 2HE2 GLN 53 -1.198 11.127 9.545 358 H ILE 54 H ILE 54 -5.292 5.967 7.407 359 HA ILE 54 HA ILE 54 -4.766 4.723 4.937 360 HB ILE 54 HB ILE 54 -7.075 6.554 5.594 361 HG12 ILE 54 1HG1 ILE 54 -6.708 4.644 7.208 362 HG13 ILE 54 2HG1 ILE 54 -8.264 4.639 6.386 363 HG21 ILE 54 1HG2 ILE 54 -8.223 5.026 3.907 364 HG22 ILE 54 2HG2 ILE 54 -7.074 6.205 3.275 365 HG23 ILE 54 3HG2 ILE 54 -6.600 4.515 3.443 366 HD11 ILE 54 1HD1 ILE 54 -6.129 3.110 5.069 367 HD12 ILE 54 2HD1 ILE 54 -6.681 2.486 6.623 368 HD13 ILE 54 3HD1 ILE 54 -7.832 2.720 5.308 369 H CYS 55 H CYS 55 -3.535 5.528 3.375 370 HA CYS 55 HA CYS 55 -3.279 8.405 3.031 371 HB2 CYS 55 1HB CYS 55 -1.359 6.658 2.943 372 HB3 CYS 55 2HB CYS 55 -1.929 6.347 1.308 373 HG CYS 55 HG CYS 55 -1.025 9.469 2.363 374 H TYR 56 H TYR 56 -4.350 5.582 1.177 375 HA TYR 56 HA TYR 56 -5.994 7.353 -0.467 376 HB2 TYR 56 1HB TYR 56 -4.275 7.179 -2.001 377 HB3 TYR 56 2HB TYR 56 -3.806 5.572 -1.453 378 HD1 TYR 56 2HD TYR 56 -5.363 3.624 -2.027 379 HD2 TYR 56 1HD TYR 56 -5.635 7.441 -3.887 380 HE1 TYR 56 2HE TYR 56 -6.609 2.619 -3.895 381 HE2 TYR 56 1HE TYR 56 -6.883 6.447 -5.759 382 HH TYR 56 HH TYR 56 -7.963 3.116 -5.683 383 H CYS 57 H CYS 57 -7.887 6.441 -1.199 384 HA CYS 57 HA CYS 57 -8.364 3.613 -0.587 385 HB2 CYS 57 1HB CYS 57 -10.221 3.987 0.728 386 HB3 CYS 57 2HB CYS 57 -9.219 5.358 1.191 387 HG CYS 57 HG CYS 57 -10.783 7.244 0.349 388 H GLY 58 H GLY 58 -9.495 2.552 -2.113 389 HA2 GLY 58 1HA GLY 58 -11.566 3.279 -3.670 390 HA3 GLY 58 2HA GLY 58 -10.209 4.005 -4.515 391 HA PRO 59 HA PRO 59 -10.864 -0.536 -5.705 392 HB2 PRO 59 1HB PRO 59 -11.759 -0.118 -8.233 393 HB3 PRO 59 2HB PRO 59 -12.840 -0.236 -6.838 394 HG2 PRO 59 1HG PRO 59 -11.815 2.203 -8.240 395 HG3 PRO 59 2HG PRO 59 -13.450 1.857 -7.649 396 HD2 PRO 59 1HD PRO 59 -11.713 3.430 -6.292 397 HD3 PRO 59 2HD PRO 59 -12.918 2.413 -5.476 398 H GLY 60 H GLY 60 -9.250 2.258 -6.838 399 HA2 GLY 60 1HA GLY 60 -7.859 1.515 -9.064 400 HA3 GLY 60 2HA GLY 60 -7.154 2.479 -7.775 401 H LEU 61 H LEU 61 -5.455 0.962 -9.153 402 HA LEU 61 HA LEU 61 -4.898 -1.294 -7.340 403 HB2 LEU 61 1HB LEU 61 -4.335 -1.095 -10.294 404 HB3 LEU 61 2HB LEU 61 -3.772 -2.397 -9.249 405 HG LEU 61 HG LEU 61 -6.675 -1.768 -9.775 406 HD11 LEU 61 1HD1 LEU 61 -6.348 -2.705 -11.767 407 HD12 LEU 61 2HD1 LEU 61 -6.089 -4.218 -10.899 408 HD13 LEU 61 3HD1 LEU 61 -4.711 -3.214 -11.350 409 HD21 LEU 61 1HD2 LEU 61 -5.389 -4.202 -8.546 410 HD22 LEU 61 2HD2 LEU 61 -7.115 -3.884 -8.725 411 HD23 LEU 61 3HD2 LEU 61 -6.144 -2.899 -7.629 412 H SER 62 H SER 62 -3.894 1.682 -8.470 413 HA SER 62 HA SER 62 -1.302 1.366 -7.200 414 HB2 SER 62 1HB SER 62 -1.306 2.605 -9.935 415 HB3 SER 62 2HB SER 62 0.041 1.921 -9.024 416 HG SER 62 HG SER 62 -0.909 -0.148 -9.365 417 H TYR 63 H TYR 63 -0.638 3.192 -6.202 418 HA TYR 63 HA TYR 63 -2.081 5.687 -6.805 419 HB2 TYR 63 1HB TYR 63 -3.012 4.721 -4.762 420 HB3 TYR 63 2HB TYR 63 -1.401 4.607 -4.061 421 HD1 TYR 63 1HD TYR 63 -3.635 7.190 -5.590 422 HD2 TYR 63 2HD TYR 63 -0.771 6.259 -2.585 423 HE1 TYR 63 1HE TYR 63 -3.887 9.452 -4.658 424 HE2 TYR 63 2HE TYR 63 -1.016 8.518 -1.644 425 HH TYR 63 HH TYR 63 -2.171 10.427 -1.714 426 H GLU 64 H GLU 64 -0.925 7.599 -6.574 427 HA GLU 64 HA GLU 64 1.990 7.245 -6.418 428 HB2 GLU 64 1HB GLU 64 0.754 8.274 -8.475 429 HB3 GLU 64 2HB GLU 64 0.661 9.716 -7.474 430 HG2 GLU 64 1HG GLU 64 3.223 9.332 -7.184 431 HG3 GLU 64 2HG GLU 64 3.046 8.382 -8.657 432 H ILE 65 H ILE 65 3.072 8.051 -4.749 433 HA ILE 65 HA ILE 65 1.702 9.992 -3.008 434 HB ILE 65 HB ILE 65 3.684 7.822 -2.370 435 HG12 ILE 65 1HG1 ILE 65 1.113 8.502 -0.958 436 HG13 ILE 65 2HG1 ILE 65 1.129 7.496 -2.401 437 HG21 ILE 65 1HG2 ILE 65 4.620 9.555 -1.145 438 HG22 ILE 65 2HG2 ILE 65 3.058 10.308 -0.825 439 HG23 ILE 65 3HG2 ILE 65 3.507 8.819 0.008 440 HD11 ILE 65 1HD1 ILE 65 3.075 6.441 -0.677 441 HD12 ILE 65 2HD1 ILE 65 1.651 6.777 0.308 442 HD13 ILE 65 3HD1 ILE 65 1.516 5.745 -1.116 443 H LYS 66 H LYS 66 2.656 11.893 -2.542 444 HA LYS 66 HA LYS 66 5.478 12.288 -3.192 445 HB2 LYS 66 1HB LYS 66 3.199 13.887 -4.354 446 HB3 LYS 66 2HB LYS 66 4.854 14.480 -4.315 447 HG2 LYS 66 1HG LYS 66 5.564 12.547 -5.649 448 HG3 LYS 66 2HG LYS 66 3.888 11.996 -5.717 449 HD2 LYS 66 1HD LYS 66 4.193 13.133 -7.736 450 HD3 LYS 66 2HD LYS 66 3.376 14.310 -6.706 451 HE2 LYS 66 1HE LYS 66 5.666 15.202 -6.126 452 HE3 LYS 66 2HE LYS 66 6.299 14.180 -7.415 453 HZ1 LYS 66 1HZ LYS 66 5.218 15.406 -9.031 454 HZ2 LYS 66 2HZ LYS 66 5.714 16.604 -7.945 455 HZ3 LYS 66 3HZ LYS 66 4.106 16.079 -7.946 456 H GLY 67 H GLY 67 6.136 14.611 -2.519 457 HA2 GLY 67 1HA GLY 67 6.138 16.328 -0.954 458 HA3 GLY 67 2HA GLY 67 4.573 15.769 -0.384 459 H LEU 68 H LEU 68 7.344 13.656 -0.650 460 HA LEU 68 HA LEU 68 7.245 13.245 2.241 461 HB2 LEU 68 1HB LEU 68 8.839 11.681 0.225 462 HB3 LEU 68 2HB LEU 68 8.405 11.204 1.866 463 HG LEU 68 HG LEU 68 6.316 11.627 -0.249 464 HD11 LEU 68 1HD1 LEU 68 6.498 8.981 -0.231 465 HD12 LEU 68 2HD1 LEU 68 8.189 9.354 0.100 466 HD13 LEU 68 3HD1 LEU 68 7.418 9.978 -1.359 467 HD21 LEU 68 1HD2 LEU 68 4.895 10.507 1.183 468 HD22 LEU 68 2HD2 LEU 68 5.901 11.412 2.312 469 HD23 LEU 68 3HD2 LEU 68 6.213 9.699 2.032 470 H SER 69 H SER 69 9.569 12.550 3.100 471 HA SER 69 HA SER 69 11.387 14.761 2.399 472 HB2 SER 69 1HB SER 69 11.155 13.338 5.062 473 HB3 SER 69 2HB SER 69 12.169 14.736 4.703 474 HG SER 69 HG SER 69 10.394 16.002 4.561 475 HA PRO 70 HA PRO 70 14.401 11.783 1.209 476 HB2 PRO 70 1HB PRO 70 16.639 13.286 1.524 477 HB3 PRO 70 2HB PRO 70 15.500 13.525 0.193 478 HG2 PRO 70 1HG PRO 70 15.753 15.037 2.765 479 HG3 PRO 70 2HG PRO 70 15.490 15.656 1.124 480 HD2 PRO 70 1HD PRO 70 13.481 15.391 2.921 481 HD3 PRO 70 2HD PRO 70 13.233 15.190 1.174 482 H ALA 71 H ALA 71 16.078 10.466 2.040 483 HA ALA 71 HA ALA 71 17.026 9.182 3.669 484 HB1 ALA 71 1HB ALA 71 18.514 10.284 5.091 485 HB2 ALA 71 2HB ALA 71 18.358 11.372 3.711 486 HB3 ALA 71 3HB ALA 71 17.490 11.715 5.207 487 H THR 72 H THR 72 14.303 9.197 3.890 488 HA THR 72 HA THR 72 13.951 8.993 6.796 489 HB THR 72 HB THR 72 11.902 10.205 4.929 490 HG1 THR 72 1HG THR 72 13.826 11.279 6.653 491 HG21 THR 72 1HG2 THR 72 11.015 10.762 7.404 492 HG22 THR 72 2HG2 THR 72 11.799 9.213 7.714 493 HG23 THR 72 3HG2 THR 72 10.523 9.329 6.504 494 H THR 73 H THR 73 12.863 7.217 7.466 495 HA THR 73 HA THR 73 12.378 5.134 5.559 496 HB THR 73 HB THR 73 11.433 4.919 8.387 497 HG1 THR 73 1HG THR 73 13.421 5.843 8.724 498 HG21 THR 73 1HG2 THR 73 11.311 2.782 7.772 499 HG22 THR 73 2HG2 THR 73 13.062 2.768 7.570 500 HG23 THR 73 3HG2 THR 73 12.021 3.161 6.203 501 H TYR 74 H TYR 74 10.402 4.073 5.143 502 HA TYR 74 HA TYR 74 7.936 5.306 6.060 503 HB2 TYR 74 1HB TYR 74 8.757 5.258 3.154 504 HB3 TYR 74 2HB TYR 74 7.100 5.515 3.691 505 HD1 TYR 74 1HD TYR 74 6.587 7.535 5.114 506 HD2 TYR 74 2HD TYR 74 10.313 7.030 3.120 507 HE1 TYR 74 1HE TYR 74 7.034 9.942 5.352 508 HE2 TYR 74 2HE TYR 74 10.770 9.435 3.353 509 HH TYR 74 HH TYR 74 8.353 11.664 4.488 510 H TYR 75 H TYR 75 6.064 4.025 5.649 511 HA TYR 75 HA TYR 75 6.597 1.296 4.700 512 HB2 TYR 75 1HB TYR 75 5.078 1.996 7.221 513 HB3 TYR 75 2HB TYR 75 5.280 0.377 6.560 514 HD1 TYR 75 1HD TYR 75 6.922 3.133 8.326 515 HD2 TYR 75 2HD TYR 75 7.401 -0.788 6.748 516 HE1 TYR 75 1HE TYR 75 9.003 2.877 9.612 517 HE2 TYR 75 2HE TYR 75 9.483 -1.057 8.031 518 HH TYR 75 HH TYR 75 11.184 1.381 9.306 519 H CYS 76 H CYS 76 4.922 0.297 3.640 520 HA CYS 76 HA CYS 76 2.383 1.750 3.424 521 HB2 CYS 76 1HB CYS 76 2.401 1.844 1.108 522 HB3 CYS 76 2HB CYS 76 4.092 2.150 1.484 523 HG CYS 76 HG CYS 76 3.443 0.329 -0.782 524 H ARG 77 H ARG 77 0.590 0.485 3.255 525 HA ARG 77 HA ARG 77 0.942 -2.395 2.847 526 HB2 ARG 77 1HB ARG 77 -0.289 -2.992 4.791 527 HB3 ARG 77 2HB ARG 77 0.937 -1.844 5.313 528 HG2 ARG 77 1HG ARG 77 -0.991 -0.103 4.936 529 HG3 ARG 77 2HG ARG 77 -2.014 -1.526 5.141 530 HD2 ARG 77 1HD ARG 77 -0.155 -0.227 7.086 531 HD3 ARG 77 2HD ARG 77 -1.832 -0.726 7.305 532 HE ARG 77 HE ARG 77 0.003 -2.902 6.859 533 HH11 ARG 77 1HH1 ARG 77 -1.491 -0.828 9.223 534 HH12 ARG 77 2HH1 ARG 77 -1.271 -1.943 10.532 535 HH21 ARG 77 1HH2 ARG 77 0.299 -4.377 8.573 536 HH22 ARG 77 2HH2 ARG 77 -0.252 -3.961 10.160 537 H VAL 78 H VAL 78 -0.998 -3.508 2.240 538 HA VAL 78 HA VAL 78 -3.296 -1.848 1.529 539 HB VAL 78 HB VAL 78 -1.790 -1.870 -0.454 540 HG11 VAL 78 1HG1 VAL 78 -1.534 -4.593 0.204 541 HG12 VAL 78 2HG1 VAL 78 -2.354 -4.526 -1.357 542 HG13 VAL 78 3HG1 VAL 78 -0.795 -3.729 -1.144 543 HG21 VAL 78 1HG2 VAL 78 -4.071 -3.477 -1.382 544 HG22 VAL 78 2HG2 VAL 78 -4.488 -2.103 -0.357 545 HG23 VAL 78 3HG2 VAL 78 -3.566 -1.850 -1.840 546 H GLN 79 H GLN 79 -5.230 -2.948 1.434 547 HA GLN 79 HA GLN 79 -5.177 -5.854 1.806 548 HB2 GLN 79 1HB GLN 79 -6.375 -5.861 3.770 549 HB3 GLN 79 2HB GLN 79 -5.390 -4.422 4.000 550 HG2 GLN 79 1HG GLN 79 -7.303 -3.071 3.140 551 HG3 GLN 79 2HG GLN 79 -8.272 -4.543 3.156 552 HE21 GLN 79 1HE2 GLN 79 -9.544 -4.650 4.847 553 HE22 GLN 79 2HE2 GLN 79 -9.180 -4.091 6.441 554 H ALA 80 H ALA 80 -7.140 -6.922 1.253 555 HA ALA 80 HA ALA 80 -8.748 -5.388 -0.663 556 HB1 ALA 80 1HB ALA 80 -7.694 -7.318 -1.620 557 HB2 ALA 80 2HB ALA 80 -8.340 -8.357 -0.350 558 HB3 ALA 80 3HB ALA 80 -9.430 -7.618 -1.522 559 H LEU 81 H LEU 81 -10.651 -4.675 0.015 560 HA LEU 81 HA LEU 81 -11.988 -6.023 2.242 561 HB2 LEU 81 1HB LEU 81 -12.441 -3.350 0.929 562 HB3 LEU 81 2HB LEU 81 -13.460 -3.999 2.212 563 HG LEU 81 HG LEU 81 -11.221 -4.121 3.548 564 HD11 LEU 81 1HD1 LEU 81 -10.582 -2.183 1.341 565 HD12 LEU 81 2HD1 LEU 81 -9.653 -3.586 1.867 566 HD13 LEU 81 3HD1 LEU 81 -9.763 -2.163 2.903 567 HD21 LEU 81 1HD2 LEU 81 -12.745 -2.724 4.501 568 HD22 LEU 81 2HD2 LEU 81 -13.027 -1.828 3.008 569 HD23 LEU 81 3HD2 LEU 81 -11.571 -1.524 3.958 570 H SER 82 H SER 82 -14.138 -6.707 2.140 571 HA SER 82 HA SER 82 -15.344 -6.824 -0.537 572 HB2 SER 82 1HB SER 82 -16.024 -9.167 -0.105 573 HB3 SER 82 2HB SER 82 -14.271 -8.983 -0.149 574 HG SER 82 HG SER 82 -14.903 -10.244 1.627 575 H VAL 83 H VAL 83 -17.664 -7.978 -0.152 576 HA VAL 83 HA VAL 83 -19.064 -6.129 1.588 577 HB VAL 83 HB VAL 83 -21.116 -7.305 0.627 578 HG11 VAL 83 1HG1 VAL 83 -20.176 -5.122 -0.143 579 HG12 VAL 83 2HG1 VAL 83 -19.282 -6.007 -1.381 580 HG13 VAL 83 3HG1 VAL 83 -21.045 -6.020 -1.387 581 HG21 VAL 83 1HG2 VAL 83 -19.260 -8.317 -1.488 582 HG22 VAL 83 2HG2 VAL 83 -19.612 -9.303 -0.069 583 HG23 VAL 83 3HG2 VAL 83 -20.921 -8.794 -1.136 584 H VAL 84 H VAL 84 -17.703 -9.138 1.950 585 HA VAL 84 HA VAL 84 -19.719 -10.088 3.851 586 HB VAL 84 HB VAL 84 -18.525 -11.563 2.046 587 HG11 VAL 84 1HG1 VAL 84 -16.279 -10.757 3.260 588 HG12 VAL 84 2HG1 VAL 84 -16.598 -12.223 4.190 589 HG13 VAL 84 3HG1 VAL 84 -16.423 -12.310 2.435 590 HG21 VAL 84 1HG2 VAL 84 -20.123 -12.442 3.617 591 HG22 VAL 84 2HG2 VAL 84 -18.735 -13.527 3.551 592 HG23 VAL 84 3HG2 VAL 84 -18.925 -12.419 4.911 593 H GLY 85 H GLY 85 -16.676 -8.520 3.726 594 HA2 GLY 85 1HA GLY 85 -16.566 -7.864 6.407 595 HA3 GLY 85 2HA GLY 85 -15.658 -9.362 6.252 596 H ALA 86 H ALA 86 -13.552 -9.044 6.094 597 HA ALA 86 HA ALA 86 -12.420 -7.276 4.164 598 HB1 ALA 86 1HB ALA 86 -13.119 -5.859 6.270 599 HB2 ALA 86 2HB ALA 86 -11.608 -6.498 6.918 600 HB3 ALA 86 3HB ALA 86 -11.599 -5.556 5.427 601 H GLY 87 H GLY 87 -10.107 -7.466 4.018 602 HA2 GLY 87 1HA GLY 87 -9.149 -9.967 5.243 603 HA3 GLY 87 2HA GLY 87 -8.552 -9.280 3.740 604 HA PRO 88 HA PRO 88 -5.945 -8.061 7.540 605 HB2 PRO 88 1HB PRO 88 -3.847 -9.740 7.146 606 HB3 PRO 88 2HB PRO 88 -5.245 -10.165 8.142 607 HG2 PRO 88 1HG PRO 88 -4.640 -10.918 5.309 608 HG3 PRO 88 2HG PRO 88 -5.282 -11.923 6.620 609 HD2 PRO 88 1HD PRO 88 -6.859 -10.863 4.692 610 HD3 PRO 88 2HD PRO 88 -7.426 -11.122 6.354 611 H PHE 89 H PHE 89 -3.906 -6.945 7.435 612 HA PHE 89 HA PHE 89 -3.465 -5.706 4.882 613 HB2 PHE 89 1HB PHE 89 -2.445 -5.302 7.659 614 HB3 PHE 89 2HB PHE 89 -1.523 -4.622 6.322 615 HD1 PHE 89 2HD PHE 89 -3.377 -3.584 4.479 616 HD2 PHE 89 1HD PHE 89 -3.680 -3.698 8.723 617 HE1 PHE 89 2HE PHE 89 -4.891 -1.647 4.419 618 HE2 PHE 89 1HE PHE 89 -5.196 -1.761 8.670 619 HZ PHE 89 HZ PHE 89 -5.802 -0.732 6.516 620 H SER 90 H SER 90 -1.890 -6.087 3.443 621 HA SER 90 HA SER 90 -0.453 -8.466 3.430 622 HB2 SER 90 1HB SER 90 0.808 -7.506 1.544 623 HB3 SER 90 2HB SER 90 -0.917 -7.168 1.395 624 HG SER 90 HG SER 90 1.204 -5.434 1.948 625 H GLU 91 H GLU 91 2.038 -8.486 3.129 626 HA GLU 91 HA GLU 91 3.210 -7.933 5.615 627 HB2 GLU 91 1HB GLU 91 4.540 -8.483 2.957 628 HB3 GLU 91 2HB GLU 91 5.349 -8.526 4.517 629 HG2 GLU 91 1HG GLU 91 3.532 -10.268 5.129 630 HG3 GLU 91 2HG GLU 91 3.329 -10.408 3.383 631 H VAL 92 H VAL 92 3.644 -5.995 6.420 632 HA VAL 92 HA VAL 92 3.650 -3.571 5.181 633 HB VAL 92 HB VAL 92 5.259 -4.478 7.560 634 HG11 VAL 92 1HG1 VAL 92 5.630 -2.100 8.069 635 HG12 VAL 92 2HG1 VAL 92 6.431 -2.594 6.577 636 HG13 VAL 92 3HG1 VAL 92 4.931 -1.669 6.509 637 HG21 VAL 92 1HG2 VAL 92 2.874 -2.648 7.461 638 HG22 VAL 92 2HG2 VAL 92 2.726 -4.399 7.613 639 HG23 VAL 92 3HG2 VAL 92 3.561 -3.474 8.861 640 H VAL 93 H VAL 93 4.791 -2.763 3.560 641 HA VAL 93 HA VAL 93 7.485 -3.800 3.043 642 HB VAL 93 HB VAL 93 5.805 -2.062 1.235 643 HG11 VAL 93 1HG1 VAL 93 7.510 -3.603 -0.290 644 HG12 VAL 93 2HG1 VAL 93 7.738 -1.905 0.128 645 HG13 VAL 93 3HG1 VAL 93 8.493 -3.164 1.105 646 HG21 VAL 93 1HG2 VAL 93 4.755 -4.277 1.815 647 HG22 VAL 93 2HG2 VAL 93 5.068 -4.014 0.099 648 HG23 VAL 93 3HG2 VAL 93 6.140 -5.049 1.043 649 H ALA 94 H ALA 94 8.946 -2.664 4.184 650 HA ALA 94 HA ALA 94 8.669 0.153 4.678 651 HB1 ALA 94 1HB ALA 94 9.914 -1.799 6.026 652 HB2 ALA 94 2HB ALA 94 11.283 -1.147 5.124 653 HB3 ALA 94 3HB ALA 94 10.341 -0.095 6.180 654 H CYS 95 H CYS 95 10.171 1.782 4.002 655 HA CYS 95 HA CYS 95 12.033 1.258 1.885 656 HB2 CYS 95 1HB CYS 95 10.935 2.583 0.160 657 HB3 CYS 95 2HB CYS 95 9.906 1.236 0.633 658 HG CYS 95 HG CYS 95 8.684 3.270 2.562 659 H VAL 96 H VAL 96 13.569 2.807 1.794 660 HA VAL 96 HA VAL 96 13.097 5.252 3.374 661 HB VAL 96 HB VAL 96 15.733 3.849 2.913 662 HG11 VAL 96 1HG1 VAL 96 15.094 6.117 4.792 663 HG12 VAL 96 2HG1 VAL 96 16.679 5.428 4.437 664 HG13 VAL 96 3HG1 VAL 96 15.812 6.333 3.196 665 HG21 VAL 96 1HG2 VAL 96 14.281 2.545 4.368 666 HG22 VAL 96 2HG2 VAL 96 15.611 3.251 5.287 667 HG23 VAL 96 3HG2 VAL 96 14.000 3.962 5.380 668 H THR 97 H THR 97 12.964 7.017 2.171 669 HA THR 97 HA THR 97 13.624 7.140 -0.560 670 HB THR 97 HB THR 97 13.280 9.588 -0.352 671 HG1 THR 97 1HG THR 97 12.847 10.463 1.668 672 HG21 THR 97 1HG2 THR 97 10.979 8.927 1.165 673 HG22 THR 97 2HG2 THR 97 11.405 7.510 0.204 674 HG23 THR 97 3HG2 THR 97 11.130 9.061 -0.587 675 HA PRO 98 HA PRO 98 17.920 8.058 -0.626 676 HB2 PRO 98 1HB PRO 98 18.067 9.618 -2.844 677 HB3 PRO 98 2HB PRO 98 17.794 7.873 -2.913 678 HG2 PRO 98 1HG PRO 98 15.815 10.109 -3.116 679 HG3 PRO 98 2HG PRO 98 15.925 8.622 -4.076 680 HD2 PRO 98 1HD PRO 98 14.168 8.913 -2.036 681 HD3 PRO 98 2HD PRO 98 14.897 7.349 -2.451 682 HA PRO 99 HA PRO 99 18.558 11.923 1.403 683 HB2 PRO 99 1HB PRO 99 21.234 12.182 1.023 684 HB3 PRO 99 2HB PRO 99 20.533 11.028 2.165 685 HG2 PRO 99 1HG PRO 99 21.547 10.566 -0.614 686 HG3 PRO 99 2HG PRO 99 21.784 9.582 0.843 687 HD2 PRO 99 1HD PRO 99 19.958 8.958 -1.057 688 HD3 PRO 99 2HD PRO 99 19.711 8.591 0.663 689 H SER 100 H SER 100 18.450 14.032 0.872 690 HA SER 100 HA SER 100 18.797 14.741 -1.939 691 HB2 SER 100 1HB SER 100 16.702 15.458 -1.092 692 HB3 SER 100 2HB SER 100 17.427 16.092 0.385 693 HG SER 100 HG SER 100 17.273 17.892 -0.738 694 H SER 101 H SER 101 19.830 15.846 1.273 695 HA SER 101 HA SER 101 21.966 17.402 -0.026 696 HB2 SER 101 1HB SER 101 20.357 17.829 2.448 697 HB3 SER 101 2HB SER 101 22.031 18.385 2.453 698 HG SER 101 HG SER 101 21.312 20.044 1.401 699 H GLY 102 H GLY 102 23.906 16.495 0.036 700 HA2 GLY 102 1HA GLY 102 24.783 15.164 2.491 701 HA3 GLY 102 2HA GLY 102 24.814 14.224 1.007 702 HA PRO 103 HA PRO 103 28.582 17.178 1.581 703 HB2 PRO 103 1HB PRO 103 30.263 15.630 3.045 704 HB3 PRO 103 2HB PRO 103 29.145 16.789 3.774 705 HG2 PRO 103 1HG PRO 103 28.862 13.826 3.458 706 HG3 PRO 103 2HG PRO 103 28.475 14.844 4.857 707 HD2 PRO 103 1HD PRO 103 26.584 13.955 3.135 708 HD3 PRO 103 2HD PRO 103 26.457 15.517 3.969 709 H SER 104 H SER 104 27.748 14.180 0.412 710 HA SER 104 HA SER 104 30.204 14.042 -1.202 711 HB2 SER 104 1HB SER 104 30.076 12.231 0.562 712 HB3 SER 104 2HB SER 104 28.656 11.613 -0.282 713 HG SER 104 HG SER 104 31.092 10.978 -0.796 714 H SER 105 H SER 105 29.848 12.688 -3.220 715 HA SER 105 HA SER 105 27.121 13.090 -4.258 716 HB2 SER 105 1HB SER 105 29.727 13.625 -5.705 717 HB3 SER 105 2HB SER 105 28.129 13.687 -6.450 718 HG SER 105 HG SER 105 27.756 15.241 -4.545 719 H GLY 106 H GLY 106 26.469 10.981 -4.141 720 HA2 GLY 106 1HA GLY 106 26.967 9.236 -6.203 721 HA3 GLY 106 2HA GLY 106 28.124 8.795 -4.956 Start of MODEL 13 1 H1 GLY 1 H GLY 1 -5.715 -26.915 9.311 2 HA2 GLY 1 1HA GLY 1 -6.623 -24.673 8.613 3 HA3 GLY 1 2HA GLY 1 -5.876 -25.011 7.058 4 H SER 2 H SER 2 -8.486 -24.412 7.037 5 HA SER 2 HA SER 2 -9.677 -26.925 6.176 6 HB2 SER 2 1HB SER 2 -10.780 -25.199 8.377 7 HB3 SER 2 2HB SER 2 -11.857 -26.165 7.369 8 HG SER 2 HG SER 2 -10.527 -27.995 7.969 9 H SER 3 H SER 3 -10.514 -26.628 4.230 10 HA SER 3 HA SER 3 -10.673 -24.118 2.977 11 HB2 SER 3 1HB SER 3 -11.915 -25.356 1.182 12 HB3 SER 3 2HB SER 3 -10.390 -26.109 1.645 13 HG SER 3 HG SER 3 -12.826 -26.881 2.838 14 H GLY 4 H GLY 4 -12.210 -22.602 2.915 15 HA2 GLY 4 1HA GLY 4 -14.681 -22.254 2.664 16 HA3 GLY 4 2HA GLY 4 -14.839 -23.281 4.080 17 H SER 5 H SER 5 -12.681 -20.555 3.311 18 HA SER 5 HA SER 5 -13.328 -19.396 5.917 19 HB2 SER 5 1HB SER 5 -10.922 -19.738 4.888 20 HB3 SER 5 2HB SER 5 -11.283 -18.214 4.079 21 HG SER 5 HG SER 5 -10.242 -18.229 6.294 22 H SER 6 H SER 6 -14.288 -17.437 6.186 23 HA SER 6 HA SER 6 -15.796 -16.405 3.969 24 HB2 SER 6 1HB SER 6 -15.671 -15.887 6.902 25 HB3 SER 6 2HB SER 6 -16.344 -14.624 5.873 26 HG SER 6 HG SER 6 -17.406 -17.032 6.600 27 H GLY 7 H GLY 7 -14.664 -15.298 2.477 28 HA2 GLY 7 1HA GLY 7 -14.002 -12.940 2.058 29 HA3 GLY 7 2HA GLY 7 -12.943 -13.101 3.451 30 HA PRO 8 HA PRO 8 -10.803 -14.238 -0.637 31 HB2 PRO 8 1HB PRO 8 -9.234 -12.035 -0.866 32 HB3 PRO 8 2HB PRO 8 -10.845 -12.145 -1.583 33 HG2 PRO 8 1HG PRO 8 -9.992 -10.831 0.968 34 HG3 PRO 8 2HG PRO 8 -11.114 -10.242 -0.274 35 HD2 PRO 8 1HD PRO 8 -11.961 -11.360 2.042 36 HD3 PRO 8 2HD PRO 8 -12.861 -11.518 0.519 37 H ASP 9 H ASP 9 -8.289 -14.128 -0.924 38 HA ASP 9 HA ASP 9 -7.157 -15.176 1.533 39 HB2 ASP 9 1HB ASP 9 -6.908 -16.088 -0.934 40 HB3 ASP 9 2HB ASP 9 -5.580 -14.933 -0.994 41 H GLN 10 H GLN 10 -4.968 -14.541 2.218 42 HA GLN 10 HA GLN 10 -4.730 -11.949 2.978 43 HB2 GLN 10 1HB GLN 10 -3.285 -13.919 3.666 44 HB3 GLN 10 2HB GLN 10 -2.324 -13.604 2.227 45 HG2 GLN 10 1HG GLN 10 -1.914 -11.307 3.077 46 HG3 GLN 10 2HG GLN 10 -2.746 -11.759 4.564 47 HE21 GLN 10 1HE2 GLN 10 0.025 -10.922 4.108 48 HE22 GLN 10 2HE2 GLN 10 1.011 -12.190 4.742 49 H CYS 11 H CYS 11 -3.401 -10.167 2.296 50 HA CYS 11 HA CYS 11 -3.434 -9.856 -0.602 51 HB2 CYS 11 1HB CYS 11 -3.276 -7.970 1.722 52 HB3 CYS 11 2HB CYS 11 -2.741 -7.434 0.134 53 HG CYS 11 HG CYS 11 -5.756 -8.883 0.116 54 H LYS 12 H LYS 12 -1.643 -9.255 -1.825 55 HA LYS 12 HA LYS 12 0.903 -10.130 -0.723 56 HB2 LYS 12 1HB LYS 12 1.681 -10.248 -2.960 57 HB3 LYS 12 2HB LYS 12 0.033 -10.863 -2.986 58 HG2 LYS 12 1HG LYS 12 -0.762 -9.087 -4.173 59 HG3 LYS 12 2HG LYS 12 0.458 -7.977 -3.543 60 HD2 LYS 12 1HD LYS 12 1.117 -8.266 -5.750 61 HD3 LYS 12 2HD LYS 12 2.125 -9.431 -4.889 62 HE2 LYS 12 1HE LYS 12 0.058 -11.016 -5.401 63 HE3 LYS 12 2HE LYS 12 -0.166 -9.878 -6.729 64 HZ1 LYS 12 1HZ LYS 12 1.336 -11.082 -7.810 65 HZ2 LYS 12 2HZ LYS 12 1.782 -11.943 -6.425 66 HZ3 LYS 12 3HZ LYS 12 2.506 -10.451 -6.762 67 HA PRO 13 HA PRO 13 2.617 -6.138 -0.087 68 HB2 PRO 13 1HB PRO 13 5.232 -6.609 -0.647 69 HB3 PRO 13 2HB PRO 13 4.441 -7.202 0.819 70 HG2 PRO 13 1HG PRO 13 5.030 -8.649 -1.735 71 HG3 PRO 13 2HG PRO 13 5.219 -9.208 -0.062 72 HD2 PRO 13 1HD PRO 13 3.107 -9.914 -1.603 73 HD3 PRO 13 2HD PRO 13 2.981 -9.713 0.156 74 HA PRO 14 HA PRO 14 2.525 -4.362 -4.183 75 HB2 PRO 14 1HB PRO 14 2.699 -1.778 -3.370 76 HB3 PRO 14 2HB PRO 14 1.205 -2.716 -3.272 77 HG2 PRO 14 1HG PRO 14 3.206 -2.114 -1.129 78 HG3 PRO 14 2HG PRO 14 1.434 -2.089 -1.045 79 HD2 PRO 14 1HD PRO 14 2.909 -4.158 -0.107 80 HD3 PRO 14 2HD PRO 14 1.289 -4.376 -0.800 81 H GLN 15 H GLN 15 3.888 -2.803 -5.421 82 HA GLN 15 HA GLN 15 6.700 -3.088 -4.619 83 HB2 GLN 15 1HB GLN 15 6.099 -4.156 -6.743 84 HB3 GLN 15 2HB GLN 15 5.510 -2.618 -7.356 85 HG2 GLN 15 1HG GLN 15 7.899 -1.773 -6.889 86 HG3 GLN 15 2HG GLN 15 8.321 -3.483 -6.833 87 HE21 GLN 15 1HE2 GLN 15 9.567 -3.469 -8.659 88 HE22 GLN 15 2HE2 GLN 15 8.922 -3.237 -10.245 89 H VAL 16 H VAL 16 7.672 -1.334 -3.871 90 HA VAL 16 HA VAL 16 6.550 1.299 -4.468 91 HB VAL 16 HB VAL 16 7.972 2.134 -2.661 92 HG11 VAL 16 1HG1 VAL 16 5.764 1.306 -2.091 93 HG12 VAL 16 2HG1 VAL 16 6.400 -0.330 -1.908 94 HG13 VAL 16 3HG1 VAL 16 6.902 0.942 -0.794 95 HG21 VAL 16 1HG2 VAL 16 9.905 0.771 -2.822 96 HG22 VAL 16 2HG2 VAL 16 9.186 0.430 -1.248 97 HG23 VAL 16 3HG2 VAL 16 8.970 -0.705 -2.581 98 H THR 17 H THR 17 7.496 2.703 -5.801 99 HA THR 17 HA THR 17 10.271 2.173 -6.642 100 HB THR 17 HB THR 17 7.963 3.166 -8.320 101 HG1 THR 17 1HG THR 17 9.449 0.786 -8.143 102 HG21 THR 17 1HG2 THR 17 9.922 2.910 -10.108 103 HG22 THR 17 2HG2 THR 17 10.901 3.353 -8.709 104 HG23 THR 17 3HG2 THR 17 9.615 4.426 -9.261 105 H CYS 18 H CYS 18 11.343 3.650 -5.415 106 HA CYS 18 HA CYS 18 10.456 6.209 -4.734 107 HB2 CYS 18 1HB CYS 18 12.787 6.684 -4.156 108 HB3 CYS 18 2HB CYS 18 12.320 5.083 -3.599 109 HG CYS 18 HG CYS 18 14.593 5.965 -5.921 110 H ARG 19 H ARG 19 9.798 7.636 -6.220 111 HA ARG 19 HA ARG 19 11.034 7.853 -8.803 112 HB2 ARG 19 1HB ARG 19 8.867 9.404 -7.397 113 HB3 ARG 19 2HB ARG 19 9.477 9.879 -8.976 114 HG2 ARG 19 1HG ARG 19 8.588 7.071 -8.610 115 HG3 ARG 19 2HG ARG 19 7.360 8.334 -8.709 116 HD2 ARG 19 1HD ARG 19 9.564 7.998 -10.732 117 HD3 ARG 19 2HD ARG 19 7.978 7.245 -10.892 118 HE ARG 19 HE ARG 19 7.871 10.086 -10.471 119 HH11 ARG 19 1HH1 ARG 19 8.186 7.552 -12.839 120 HH12 ARG 19 2HH1 ARG 19 7.592 8.521 -14.146 121 HH21 ARG 19 1HH2 ARG 19 7.087 11.373 -12.184 122 HH22 ARG 19 2HH2 ARG 19 6.969 10.695 -13.773 123 H SER 20 H SER 20 11.151 9.620 -5.771 124 HA SER 20 HA SER 20 13.634 10.844 -6.480 125 HB2 SER 20 1HB SER 20 11.374 12.778 -5.988 126 HB3 SER 20 2HB SER 20 13.001 13.124 -6.575 127 HG SER 20 HG SER 20 12.453 11.992 -8.493 128 H ALA 21 H ALA 21 14.049 12.697 -4.693 129 HA ALA 21 HA ALA 21 14.250 11.367 -2.246 130 HB1 ALA 21 1HB ALA 21 14.943 13.527 -1.320 131 HB2 ALA 21 2HB ALA 21 15.726 13.198 -2.866 132 HB3 ALA 21 3HB ALA 21 14.378 14.332 -2.785 133 H THR 22 H THR 22 11.845 13.659 -3.430 134 HA THR 22 HA THR 22 10.280 13.191 -0.975 135 HB THR 22 HB THR 22 9.328 15.337 -1.127 136 HG1 THR 22 1HG THR 22 9.083 16.362 -2.978 137 HG21 THR 22 1HG2 THR 22 11.462 15.666 -0.235 138 HG22 THR 22 2HG2 THR 22 11.372 16.865 -1.525 139 HG23 THR 22 3HG2 THR 22 12.257 15.361 -1.779 140 H CYS 23 H CYS 23 10.385 11.638 -3.530 141 HA CYS 23 HA CYS 23 7.500 11.701 -4.074 142 HB2 CYS 23 1HB CYS 23 9.593 11.304 -6.219 143 HB3 CYS 23 2HB CYS 23 7.851 11.397 -6.443 144 HG CYS 23 HG CYS 23 9.858 13.760 -6.911 145 H ALA 24 H ALA 24 6.559 9.709 -4.548 146 HA ALA 24 HA ALA 24 8.175 7.326 -4.730 147 HB1 ALA 24 1HB ALA 24 7.447 6.263 -2.730 148 HB2 ALA 24 2HB ALA 24 8.084 7.845 -2.278 149 HB3 ALA 24 3HB ALA 24 6.341 7.585 -2.357 150 H GLN 25 H GLN 25 6.987 5.481 -5.355 151 HA GLN 25 HA GLN 25 4.149 5.930 -5.966 152 HB2 GLN 25 1HB GLN 25 5.439 6.354 -8.009 153 HB3 GLN 25 2HB GLN 25 6.196 4.773 -7.867 154 HG2 GLN 25 1HG GLN 25 4.578 4.268 -9.368 155 HG3 GLN 25 2HG GLN 25 3.681 3.966 -7.881 156 HE21 GLN 25 1HE2 GLN 25 1.691 4.685 -8.023 157 HE22 GLN 25 2HE2 GLN 25 1.181 6.144 -8.794 158 H VAL 26 H VAL 26 2.837 4.228 -5.595 159 HA VAL 26 HA VAL 26 4.119 1.703 -4.777 160 HB VAL 26 HB VAL 26 1.418 2.674 -3.854 161 HG11 VAL 26 1HG1 VAL 26 3.274 0.529 -2.831 162 HG12 VAL 26 2HG1 VAL 26 1.744 0.997 -2.087 163 HG13 VAL 26 3HG1 VAL 26 1.759 0.276 -3.696 164 HG21 VAL 26 1HG2 VAL 26 4.132 3.331 -2.880 165 HG22 VAL 26 2HG2 VAL 26 2.637 4.263 -2.788 166 HG23 VAL 26 3HG2 VAL 26 2.921 2.940 -1.657 167 H ASN 27 H ASN 27 2.997 -0.264 -5.251 168 HA ASN 27 HA ASN 27 0.803 -0.149 -7.155 169 HB2 ASN 27 1HB ASN 27 3.327 -1.648 -7.868 170 HB3 ASN 27 2HB ASN 27 1.907 -1.393 -8.878 171 HD21 ASN 27 1HD2 ASN 27 1.367 1.061 -9.063 172 HD22 ASN 27 2HD2 ASN 27 2.709 2.061 -9.492 173 H TRP 28 H TRP 28 -0.542 -1.858 -6.982 174 HA TRP 28 HA TRP 28 0.393 -4.246 -5.558 175 HB2 TRP 28 1HB TRP 28 -1.716 -4.284 -4.245 176 HB3 TRP 28 2HB TRP 28 -0.698 -2.897 -3.866 177 HD1 TRP 28 HD TRP 28 -4.027 -3.808 -5.512 178 HE1 TRP 28 1HE TRP 28 -5.431 -1.667 -5.772 179 HE3 TRP 28 3HE TRP 28 -0.515 -0.362 -4.125 180 HZ2 TRP 28 2HZ TRP 28 -5.094 1.116 -5.434 181 HZ3 TRP 28 3HZ TRP 28 -1.136 2.019 -4.122 182 HH2 TRP 28 HH TRP 28 -3.378 2.740 -4.763 183 H GLU 29 H GLU 29 -1.666 -5.852 -5.539 184 HA GLU 29 HA GLU 29 -3.067 -5.763 -8.089 185 HB2 GLU 29 1HB GLU 29 -1.069 -7.889 -7.339 186 HB3 GLU 29 2HB GLU 29 -2.347 -8.184 -8.509 187 HG2 GLU 29 1HG GLU 29 -1.403 -6.014 -9.628 188 HG3 GLU 29 2HG GLU 29 0.047 -6.431 -8.717 189 H VAL 30 H VAL 30 -4.504 -7.804 -8.279 190 HA VAL 30 HA VAL 30 -5.882 -8.093 -5.717 191 HB VAL 30 HB VAL 30 -6.863 -9.051 -8.401 192 HG11 VAL 30 1HG1 VAL 30 -7.967 -9.933 -6.371 193 HG12 VAL 30 2HG1 VAL 30 -8.359 -8.279 -5.899 194 HG13 VAL 30 3HG1 VAL 30 -9.043 -8.961 -7.374 195 HG21 VAL 30 1HG2 VAL 30 -6.247 -6.524 -8.163 196 HG22 VAL 30 2HG2 VAL 30 -7.780 -6.995 -8.897 197 HG23 VAL 30 3HG2 VAL 30 -7.734 -6.452 -7.219 198 HA PRO 31 HA PRO 31 -4.354 -12.196 -5.136 199 HB2 PRO 31 1HB PRO 31 -6.164 -13.007 -3.283 200 HB3 PRO 31 2HB PRO 31 -4.845 -11.890 -2.913 201 HG2 PRO 31 1HG PRO 31 -7.721 -11.297 -3.494 202 HG3 PRO 31 2HG PRO 31 -6.664 -10.600 -2.252 203 HD2 PRO 31 1HD PRO 31 -7.222 -9.322 -4.574 204 HD3 PRO 31 2HD PRO 31 -5.666 -9.147 -3.736 205 H LEU 32 H LEU 32 -5.835 -14.401 -4.528 206 HA LEU 32 HA LEU 32 -7.468 -14.765 -6.949 207 HB2 LEU 32 1HB LEU 32 -5.430 -16.102 -6.905 208 HB3 LEU 32 2HB LEU 32 -5.906 -16.792 -5.355 209 HG LEU 32 HG LEU 32 -8.022 -17.542 -6.789 210 HD11 LEU 32 1HD1 LEU 32 -5.798 -17.563 -8.819 211 HD12 LEU 32 2HD1 LEU 32 -7.130 -16.408 -8.822 212 HD13 LEU 32 3HD1 LEU 32 -7.455 -18.128 -9.033 213 HD21 LEU 32 1HD2 LEU 32 -7.113 -19.384 -5.918 214 HD22 LEU 32 2HD2 LEU 32 -5.475 -18.743 -6.051 215 HD23 LEU 32 3HD2 LEU 32 -6.231 -19.528 -7.438 216 H SER 33 H SER 33 -9.418 -14.108 -6.001 217 HA SER 33 HA SER 33 -10.416 -15.786 -3.802 218 HB2 SER 33 1HB SER 33 -12.129 -14.037 -3.481 219 HB3 SER 33 2HB SER 33 -10.498 -13.377 -3.367 220 HG SER 33 HG SER 33 -12.014 -13.335 -5.758 221 H ASN 34 H ASN 34 -11.686 -17.417 -4.354 222 HA ASN 34 HA ASN 34 -13.097 -17.336 -6.917 223 HB2 ASN 34 1HB ASN 34 -12.711 -19.669 -5.030 224 HB3 ASN 34 2HB ASN 34 -13.350 -19.742 -6.670 225 HD21 ASN 34 1HD2 ASN 34 -10.526 -19.433 -4.705 226 HD22 ASN 34 2HD2 ASN 34 -9.367 -19.611 -5.974 227 H GLY 35 H GLY 35 -14.581 -15.719 -5.871 228 HA2 GLY 35 1HA GLY 35 -17.090 -16.763 -5.432 229 HA3 GLY 35 2HA GLY 35 -16.381 -16.598 -3.832 230 H THR 36 H THR 36 -15.339 -14.371 -3.457 231 HA THR 36 HA THR 36 -17.230 -12.337 -4.434 232 HB THR 36 HB THR 36 -17.350 -12.687 -2.016 233 HG1 THR 36 1HG THR 36 -17.239 -10.448 -3.174 234 HG21 THR 36 1HG2 THR 36 -14.838 -13.350 -1.935 235 HG22 THR 36 2HG2 THR 36 -15.551 -12.508 -0.559 236 HG23 THR 36 3HG2 THR 36 -14.566 -11.620 -1.723 237 H ASP 37 H ASP 37 -16.483 -10.337 -5.118 238 HA ASP 37 HA ASP 37 -13.635 -10.274 -5.827 239 HB2 ASP 37 1HB ASP 37 -14.192 -8.854 -7.634 240 HB3 ASP 37 2HB ASP 37 -15.455 -10.082 -7.608 241 H VAL 38 H VAL 38 -12.316 -8.600 -5.252 242 HA VAL 38 HA VAL 38 -12.830 -7.203 -2.895 243 HB VAL 38 HB VAL 38 -10.861 -6.334 -5.012 244 HG11 VAL 38 1HG1 VAL 38 -11.504 -5.159 -2.631 245 HG12 VAL 38 2HG1 VAL 38 -10.136 -6.180 -2.182 246 HG13 VAL 38 3HG1 VAL 38 -9.962 -4.984 -3.467 247 HG21 VAL 38 1HG2 VAL 38 -10.924 -8.736 -3.324 248 HG22 VAL 38 2HG2 VAL 38 -10.035 -8.418 -4.813 249 HG23 VAL 38 3HG2 VAL 38 -9.410 -7.832 -3.272 250 H THR 39 H THR 39 -14.082 -5.515 -2.493 251 HA THR 39 HA THR 39 -15.301 -4.016 -4.615 252 HB THR 39 HB THR 39 -16.235 -2.653 -2.639 253 HG1 THR 39 1HG THR 39 -15.993 -3.618 -0.619 254 HG21 THR 39 1HG2 THR 39 -17.939 -4.259 -2.236 255 HG22 THR 39 2HG2 THR 39 -16.853 -5.602 -2.590 256 HG23 THR 39 3HG2 THR 39 -17.383 -4.531 -3.887 257 H GLU 40 H GLU 40 -13.159 -3.144 -1.898 258 HA GLU 40 HA GLU 40 -12.033 -1.012 -3.559 259 HB2 GLU 40 1HB GLU 40 -12.334 0.681 -1.981 260 HB3 GLU 40 2HB GLU 40 -13.868 -0.178 -1.950 261 HG2 GLU 40 1HG GLU 40 -12.674 -1.520 -0.016 262 HG3 GLU 40 2HG GLU 40 -11.731 -0.035 0.099 263 H TYR 41 H TYR 41 -10.135 0.043 -2.199 264 HA TYR 41 HA TYR 41 -8.667 -2.076 -0.790 265 HB2 TYR 41 1HB TYR 41 -7.885 -0.647 -3.278 266 HB3 TYR 41 2HB TYR 41 -6.621 -0.939 -2.087 267 HD1 TYR 41 2HD TYR 41 -6.310 -3.360 -1.275 268 HD2 TYR 41 1HD TYR 41 -8.506 -2.329 -4.772 269 HE1 TYR 41 2HE TYR 41 -6.049 -5.659 -2.110 270 HE2 TYR 41 1HE TYR 41 -8.253 -4.625 -5.615 271 HH TYR 41 HH TYR 41 -7.420 -6.645 -5.238 272 H ARG 42 H ARG 42 -7.836 -1.402 1.071 273 HA ARG 42 HA ARG 42 -7.641 1.495 1.540 274 HB2 ARG 42 1HB ARG 42 -8.328 -0.829 3.264 275 HB3 ARG 42 2HB ARG 42 -7.467 0.506 4.016 276 HG2 ARG 42 1HG ARG 42 -9.230 2.042 3.203 277 HG3 ARG 42 2HG ARG 42 -10.114 0.642 2.591 278 HD2 ARG 42 1HD ARG 42 -10.355 -0.249 4.803 279 HD3 ARG 42 2HD ARG 42 -9.288 0.988 5.468 280 HE ARG 42 HE ARG 42 -11.483 2.212 4.193 281 HH11 ARG 42 1HH1 ARG 42 -10.687 0.358 7.030 282 HH12 ARG 42 2HH1 ARG 42 -11.965 1.029 7.987 283 HH21 ARG 42 1HH2 ARG 42 -13.169 3.103 5.443 284 HH22 ARG 42 2HH2 ARG 42 -13.377 2.590 7.084 285 H LEU 43 H LEU 43 -5.609 2.078 1.002 286 HA LEU 43 HA LEU 43 -3.375 0.459 2.007 287 HB2 LEU 43 1HB LEU 43 -3.149 0.791 -0.305 288 HB3 LEU 43 2HB LEU 43 -3.615 2.488 -0.190 289 HG LEU 43 HG LEU 43 -1.413 2.762 1.137 290 HD11 LEU 43 1HD1 LEU 43 -0.323 0.855 1.509 291 HD12 LEU 43 2HD1 LEU 43 0.125 0.911 -0.195 292 HD13 LEU 43 3HD1 LEU 43 -1.279 -0.023 0.315 293 HD21 LEU 43 1HD2 LEU 43 -0.142 2.952 -1.018 294 HD22 LEU 43 2HD2 LEU 43 -1.692 3.796 -0.986 295 HD23 LEU 43 3HD2 LEU 43 -1.544 2.252 -1.827 296 H GLU 44 H GLU 44 -2.257 1.139 3.708 297 HA GLU 44 HA GLU 44 -2.625 3.907 4.612 298 HB2 GLU 44 1HB GLU 44 -1.699 1.432 6.075 299 HB3 GLU 44 2HB GLU 44 -1.704 3.041 6.783 300 HG2 GLU 44 1HG GLU 44 -4.156 3.144 6.359 301 HG3 GLU 44 2HG GLU 44 -4.084 1.458 5.849 302 H TRP 45 H TRP 45 -0.839 5.155 5.300 303 HA TRP 45 HA TRP 45 1.835 4.185 4.687 304 HB2 TRP 45 1HB TRP 45 1.040 5.117 2.551 305 HB3 TRP 45 2HB TRP 45 0.684 6.646 3.352 306 HD1 TRP 45 HD TRP 45 3.063 7.687 4.661 307 HE1 TRP 45 1HE TRP 45 5.379 7.943 3.570 308 HE3 TRP 45 3HE TRP 45 2.532 4.338 0.835 309 HZ2 TRP 45 2HZ TRP 45 6.795 6.868 1.377 310 HZ3 TRP 45 3HZ TRP 45 4.415 4.011 -0.716 311 HH2 TRP 45 HH TRP 45 6.501 5.252 -0.448 312 H GLY 46 H GLY 46 2.734 4.531 6.629 313 HA2 GLY 46 1HA GLY 46 2.546 7.266 7.728 314 HA3 GLY 46 2HA GLY 46 2.422 5.853 8.764 315 H GLY 47 H GLY 47 4.450 8.228 7.947 316 HA2 GLY 47 1HA GLY 47 6.880 7.428 7.204 317 HA3 GLY 47 2HA GLY 47 6.671 8.467 8.608 318 H VAL 48 H VAL 48 5.808 6.987 10.580 319 HA VAL 48 HA VAL 48 7.895 4.944 10.893 320 HB VAL 48 HB VAL 48 6.401 6.646 12.863 321 HG11 VAL 48 1HG1 VAL 48 7.583 3.959 13.293 322 HG12 VAL 48 2HG1 VAL 48 7.864 5.187 14.529 323 HG13 VAL 48 3HG1 VAL 48 6.215 4.737 14.090 324 HG21 VAL 48 1HG2 VAL 48 8.961 6.687 13.636 325 HG22 VAL 48 2HG2 VAL 48 9.189 6.329 11.924 326 HG23 VAL 48 3HG2 VAL 48 8.314 7.780 12.412 327 H GLU 49 H GLU 49 7.387 2.857 11.053 328 HA GLU 49 HA GLU 49 4.984 1.745 10.441 329 HB2 GLU 49 1HB GLU 49 5.763 -0.322 11.432 330 HB3 GLU 49 2HB GLU 49 7.106 0.492 10.642 331 HG2 GLU 49 1HG GLU 49 7.913 1.294 12.783 332 HG3 GLU 49 2HG GLU 49 6.540 0.545 13.597 333 H GLY 50 H GLY 50 6.021 2.925 13.575 334 HA2 GLY 50 1HA GLY 50 4.040 1.763 15.180 335 HA3 GLY 50 2HA GLY 50 4.877 3.269 15.533 336 H SER 51 H SER 51 3.978 4.693 13.218 337 HA SER 51 HA SER 51 1.121 4.987 13.888 338 HB2 SER 51 1HB SER 51 2.896 6.853 14.483 339 HB3 SER 51 2HB SER 51 2.704 7.272 12.781 340 HG SER 51 HG SER 51 0.403 7.355 13.225 341 H MET 52 H MET 52 0.092 3.966 12.265 342 HA MET 52 HA MET 52 0.765 4.784 9.515 343 HB2 MET 52 1HB MET 52 -0.114 2.104 10.572 344 HB3 MET 52 2HB MET 52 -0.252 2.526 8.870 345 HG2 MET 52 1HG MET 52 2.382 2.927 10.155 346 HG3 MET 52 2HG MET 52 1.857 1.268 9.877 347 HE1 MET 52 1HE MET 52 0.724 0.598 7.730 348 HE2 MET 52 2HE MET 52 1.348 1.021 6.135 349 HE3 MET 52 3HE MET 52 2.356 0.116 7.266 350 H GLN 53 H GLN 53 -0.891 5.374 8.173 351 HA GLN 53 HA GLN 53 -3.642 5.085 9.099 352 HB2 GLN 53 1HB GLN 53 -2.422 7.759 8.388 353 HB3 GLN 53 2HB GLN 53 -4.124 7.470 8.725 354 HG2 GLN 53 1HG GLN 53 -3.347 6.612 10.998 355 HG3 GLN 53 2HG GLN 53 -1.801 7.365 10.614 356 HE21 GLN 53 1HE2 GLN 53 -4.125 7.888 12.552 357 HE22 GLN 53 2HE2 GLN 53 -4.393 9.588 12.399 358 H ILE 54 H ILE 54 -5.222 5.726 7.410 359 HA ILE 54 HA ILE 54 -4.473 4.607 4.899 360 HB ILE 54 HB ILE 54 -7.004 6.134 5.496 361 HG12 ILE 54 1HG1 ILE 54 -6.502 4.313 7.170 362 HG13 ILE 54 2HG1 ILE 54 -8.002 4.104 6.271 363 HG21 ILE 54 1HG2 ILE 54 -7.929 4.574 3.776 364 HG22 ILE 54 2HG2 ILE 54 -6.734 5.716 3.163 365 HG23 ILE 54 3HG2 ILE 54 -6.280 4.038 3.458 366 HD11 ILE 54 1HD1 ILE 54 -5.721 2.819 5.003 367 HD12 ILE 54 2HD1 ILE 54 -6.064 2.209 6.622 368 HD13 ILE 54 3HD1 ILE 54 -7.320 2.182 5.385 369 H CYS 55 H CYS 55 -3.704 5.578 3.142 370 HA CYS 55 HA CYS 55 -3.751 8.520 3.049 371 HB2 CYS 55 1HB CYS 55 -1.757 8.364 1.623 372 HB3 CYS 55 2HB CYS 55 -1.497 7.577 3.174 373 HG CYS 55 HG CYS 55 -0.998 5.197 2.287 374 H TYR 56 H TYR 56 -4.538 5.594 1.347 375 HA TYR 56 HA TYR 56 -5.952 7.183 -0.663 376 HB2 TYR 56 1HB TYR 56 -3.849 6.619 -1.738 377 HB3 TYR 56 2HB TYR 56 -4.042 4.925 -1.301 378 HD1 TYR 56 1HD TYR 56 -5.315 7.630 -3.461 379 HD2 TYR 56 2HD TYR 56 -5.420 3.465 -2.595 380 HE1 TYR 56 1HE TYR 56 -6.485 7.223 -5.586 381 HE2 TYR 56 2HE TYR 56 -6.589 3.047 -4.719 382 HH TYR 56 HH TYR 56 -8.079 5.383 -6.487 383 H CYS 57 H CYS 57 -7.859 6.309 -1.338 384 HA CYS 57 HA CYS 57 -8.519 3.586 -0.476 385 HB2 CYS 57 1HB CYS 57 -9.366 5.216 1.216 386 HB3 CYS 57 2HB CYS 57 -10.340 5.962 -0.045 387 HG CYS 57 HG CYS 57 -12.072 3.902 -0.386 388 H GLY 58 H GLY 58 -9.334 2.445 -2.102 389 HA2 GLY 58 1HA GLY 58 -11.406 2.963 -3.752 390 HA3 GLY 58 2HA GLY 58 -10.074 3.773 -4.564 391 HA PRO 59 HA PRO 59 -10.292 -0.926 -5.435 392 HB2 PRO 59 1HB PRO 59 -11.558 -0.869 -7.837 393 HB3 PRO 59 2HB PRO 59 -12.417 -1.038 -6.301 394 HG2 PRO 59 1HG PRO 59 -12.002 1.405 -7.982 395 HG3 PRO 59 2HG PRO 59 -13.468 0.856 -7.148 396 HD2 PRO 59 1HD PRO 59 -11.862 2.793 -6.148 397 HD3 PRO 59 2HD PRO 59 -12.766 1.670 -5.110 398 H GLY 60 H GLY 60 -9.007 1.894 -6.582 399 HA2 GLY 60 1HA GLY 60 -7.912 1.299 -9.067 400 HA3 GLY 60 2HA GLY 60 -7.177 2.369 -7.884 401 H LEU 61 H LEU 61 -5.472 1.051 -9.428 402 HA LEU 61 HA LEU 61 -4.350 -0.967 -7.611 403 HB2 LEU 61 1HB LEU 61 -4.263 -1.181 -10.613 404 HB3 LEU 61 2HB LEU 61 -3.677 -2.359 -9.442 405 HG LEU 61 HG LEU 61 -6.586 -1.624 -9.679 406 HD11 LEU 61 1HD1 LEU 61 -5.471 -2.565 -11.813 407 HD12 LEU 61 2HD1 LEU 61 -6.956 -3.311 -11.222 408 HD13 LEU 61 3HD1 LEU 61 -5.398 -4.078 -10.910 409 HD21 LEU 61 1HD2 LEU 61 -6.945 -3.692 -8.508 410 HD22 LEU 61 2HD2 LEU 61 -5.788 -2.719 -7.600 411 HD23 LEU 61 3HD2 LEU 61 -5.225 -4.077 -8.574 412 H SER 62 H SER 62 -3.881 1.955 -8.296 413 HA SER 62 HA SER 62 -1.035 1.862 -8.150 414 HB2 SER 62 1HB SER 62 -0.681 3.252 -10.248 415 HB3 SER 62 2HB SER 62 -1.076 1.554 -10.516 416 HG SER 62 HG SER 62 -2.543 2.417 -11.775 417 H TYR 63 H TYR 63 -0.399 3.538 -6.963 418 HA TYR 63 HA TYR 63 -1.864 6.067 -7.124 419 HB2 TYR 63 1HB TYR 63 -2.953 5.088 -5.267 420 HB3 TYR 63 2HB TYR 63 -1.451 4.429 -4.628 421 HD1 TYR 63 1HD TYR 63 -2.213 7.885 -5.796 422 HD2 TYR 63 2HD TYR 63 -1.235 5.369 -2.508 423 HE1 TYR 63 1HE TYR 63 -1.962 9.867 -4.362 424 HE2 TYR 63 2HE TYR 63 -0.981 7.344 -1.065 425 HH TYR 63 HH TYR 63 -0.702 9.633 -1.109 426 H GLU 64 H GLU 64 -0.562 7.796 -7.086 427 HA GLU 64 HA GLU 64 2.288 7.337 -6.573 428 HB2 GLU 64 1HB GLU 64 1.553 8.287 -8.776 429 HB3 GLU 64 2HB GLU 64 0.988 9.712 -7.914 430 HG2 GLU 64 1HG GLU 64 3.179 10.313 -7.274 431 HG3 GLU 64 2HG GLU 64 3.828 8.751 -7.770 432 H ILE 65 H ILE 65 3.186 8.059 -4.768 433 HA ILE 65 HA ILE 65 1.735 10.065 -3.181 434 HB ILE 65 HB ILE 65 3.683 7.911 -2.402 435 HG12 ILE 65 1HG1 ILE 65 1.009 8.599 -1.191 436 HG13 ILE 65 2HG1 ILE 65 1.154 7.544 -2.592 437 HG21 ILE 65 1HG2 ILE 65 3.313 8.941 -0.042 438 HG22 ILE 65 2HG2 ILE 65 4.542 9.617 -1.109 439 HG23 ILE 65 3HG2 ILE 65 2.980 10.420 -0.942 440 HD11 ILE 65 1HD1 ILE 65 1.262 6.804 0.071 441 HD12 ILE 65 2HD1 ILE 65 1.697 5.813 -1.322 442 HD13 ILE 65 3HD1 ILE 65 2.938 6.735 -0.474 443 H LYS 66 H LYS 66 2.629 11.985 -2.699 444 HA LYS 66 HA LYS 66 5.477 12.400 -3.285 445 HB2 LYS 66 1HB LYS 66 3.159 14.073 -4.249 446 HB3 LYS 66 2HB LYS 66 4.807 14.687 -4.189 447 HG2 LYS 66 1HG LYS 66 5.462 12.739 -5.646 448 HG3 LYS 66 2HG LYS 66 3.737 12.426 -5.856 449 HD2 LYS 66 1HD LYS 66 4.962 15.111 -6.433 450 HD3 LYS 66 2HD LYS 66 4.888 13.830 -7.645 451 HE2 LYS 66 1HE LYS 66 2.582 13.907 -7.771 452 HE3 LYS 66 2HE LYS 66 2.414 14.616 -6.166 453 HZ1 LYS 66 1HZ LYS 66 2.970 15.915 -8.722 454 HZ2 LYS 66 2HZ LYS 66 3.699 16.573 -7.345 455 HZ3 LYS 66 3HZ LYS 66 2.014 16.438 -7.429 456 H GLY 67 H GLY 67 6.066 14.758 -2.496 457 HA2 GLY 67 1HA GLY 67 6.177 16.288 -0.770 458 HA3 GLY 67 2HA GLY 67 4.604 15.722 -0.227 459 H LEU 68 H LEU 68 7.536 13.798 -0.661 460 HA LEU 68 HA LEU 68 7.365 13.052 2.170 461 HB2 LEU 68 1HB LEU 68 9.015 11.712 0.044 462 HB3 LEU 68 2HB LEU 68 8.555 11.075 1.621 463 HG LEU 68 HG LEU 68 6.569 11.629 -0.575 464 HD11 LEU 68 1HD1 LEU 68 8.315 9.949 -1.228 465 HD12 LEU 68 2HD1 LEU 68 6.660 9.339 -1.195 466 HD13 LEU 68 3HD1 LEU 68 7.767 8.958 0.124 467 HD21 LEU 68 1HD2 LEU 68 5.677 11.526 1.705 468 HD22 LEU 68 2HD2 LEU 68 6.419 9.940 1.921 469 HD23 LEU 68 3HD2 LEU 68 5.136 10.159 0.730 470 H SER 69 H SER 69 9.577 12.479 3.152 471 HA SER 69 HA SER 69 11.435 14.684 2.547 472 HB2 SER 69 1HB SER 69 10.654 13.364 5.134 473 HB3 SER 69 2HB SER 69 12.189 14.222 4.989 474 HG SER 69 HG SER 69 10.709 15.967 4.079 475 HA PRO 70 HA PRO 70 14.518 11.728 1.486 476 HB2 PRO 70 1HB PRO 70 16.731 13.232 1.939 477 HB3 PRO 70 2HB PRO 70 15.665 13.485 0.551 478 HG2 PRO 70 1HG PRO 70 15.775 14.966 3.150 479 HG3 PRO 70 2HG PRO 70 15.598 15.605 1.506 480 HD2 PRO 70 1HD PRO 70 13.498 15.313 3.190 481 HD3 PRO 70 2HD PRO 70 13.343 15.133 1.431 482 H ALA 71 H ALA 71 15.950 10.284 2.419 483 HA ALA 71 HA ALA 71 16.851 9.009 4.076 484 HB1 ALA 71 1HB ALA 71 18.095 10.190 5.832 485 HB2 ALA 71 2HB ALA 71 18.418 10.857 4.231 486 HB3 ALA 71 3HB ALA 71 17.337 11.705 5.338 487 H THR 72 H THR 72 14.167 8.978 4.185 488 HA THR 72 HA THR 72 13.655 8.853 7.070 489 HB THR 72 HB THR 72 11.703 10.021 5.075 490 HG1 THR 72 1HG THR 72 13.536 11.138 6.868 491 HG21 THR 72 1HG2 THR 72 10.253 9.164 6.601 492 HG22 THR 72 2HG2 THR 72 10.684 10.631 7.480 493 HG23 THR 72 3HG2 THR 72 11.465 9.102 7.879 494 H THR 73 H THR 73 12.677 7.024 7.700 495 HA THR 73 HA THR 73 12.190 4.963 5.767 496 HB THR 73 HB THR 73 11.406 4.784 8.666 497 HG1 THR 73 1HG THR 73 13.974 4.915 7.527 498 HG21 THR 73 1HG2 THR 73 12.527 2.433 8.058 499 HG22 THR 73 2HG2 THR 73 11.996 2.909 6.445 500 HG23 THR 73 3HG2 THR 73 10.825 2.778 7.757 501 H TYR 74 H TYR 74 10.248 3.973 5.243 502 HA TYR 74 HA TYR 74 7.775 5.149 6.264 503 HB2 TYR 74 1HB TYR 74 8.525 5.027 3.339 504 HB3 TYR 74 2HB TYR 74 6.890 5.324 3.920 505 HD1 TYR 74 1HD TYR 74 6.408 7.400 5.221 506 HD2 TYR 74 2HD TYR 74 10.147 6.760 3.296 507 HE1 TYR 74 1HE TYR 74 6.897 9.806 5.382 508 HE2 TYR 74 2HE TYR 74 10.647 9.163 3.453 509 HH TYR 74 HH TYR 74 10.024 11.101 4.620 510 H TYR 75 H TYR 75 5.871 3.869 5.768 511 HA TYR 75 HA TYR 75 6.406 1.125 4.893 512 HB2 TYR 75 1HB TYR 75 4.898 1.775 7.431 513 HB3 TYR 75 2HB TYR 75 5.250 0.172 6.797 514 HD1 TYR 75 1HD TYR 75 6.707 3.156 8.392 515 HD2 TYR 75 2HD TYR 75 7.390 -0.850 7.132 516 HE1 TYR 75 1HE TYR 75 8.800 3.112 9.684 517 HE2 TYR 75 2HE TYR 75 9.484 -0.905 8.421 518 HH TYR 75 HH TYR 75 11.027 1.764 9.536 519 H CYS 76 H CYS 76 4.633 0.043 4.022 520 HA CYS 76 HA CYS 76 2.080 1.450 3.896 521 HB2 CYS 76 1HB CYS 76 1.952 1.381 1.490 522 HB3 CYS 76 2HB CYS 76 3.434 2.214 1.942 523 HG CYS 76 HG CYS 76 5.141 0.174 1.292 524 H ARG 77 H ARG 77 0.359 0.108 3.847 525 HA ARG 77 HA ARG 77 0.795 -2.719 3.201 526 HB2 ARG 77 1HB ARG 77 -0.601 -3.342 5.188 527 HB3 ARG 77 2HB ARG 77 0.977 -2.677 5.587 528 HG2 ARG 77 1HG ARG 77 -0.061 -0.508 6.049 529 HG3 ARG 77 2HG ARG 77 -1.643 -1.193 5.670 530 HD2 ARG 77 1HD ARG 77 -1.418 -2.773 7.505 531 HD3 ARG 77 2HD ARG 77 0.195 -2.155 7.860 532 HE ARG 77 HE ARG 77 -1.435 0.032 8.020 533 HH11 ARG 77 1HH1 ARG 77 -1.344 -3.098 9.539 534 HH12 ARG 77 2HH1 ARG 77 -2.064 -2.547 11.015 535 HH21 ARG 77 1HH2 ARG 77 -2.384 0.770 9.958 536 HH22 ARG 77 2HH2 ARG 77 -2.657 -0.347 11.252 537 H VAL 78 H VAL 78 -0.734 -3.509 1.907 538 HA VAL 78 HA VAL 78 -3.232 -1.974 1.619 539 HB VAL 78 HB VAL 78 -1.888 -2.003 -0.419 540 HG11 VAL 78 1HG1 VAL 78 -0.628 -3.791 -0.826 541 HG12 VAL 78 2HG1 VAL 78 -1.567 -4.790 0.285 542 HG13 VAL 78 3HG1 VAL 78 -2.093 -4.596 -1.388 543 HG21 VAL 78 1HG2 VAL 78 -3.599 -3.060 -1.941 544 HG22 VAL 78 2HG2 VAL 78 -4.426 -3.622 -0.488 545 HG23 VAL 78 3HG2 VAL 78 -4.231 -1.893 -0.778 546 H GLN 79 H GLN 79 -5.177 -2.986 1.769 547 HA GLN 79 HA GLN 79 -5.166 -5.892 2.229 548 HB2 GLN 79 1HB GLN 79 -6.473 -5.735 4.131 549 HB3 GLN 79 2HB GLN 79 -5.429 -4.330 4.305 550 HG2 GLN 79 1HG GLN 79 -7.285 -3.001 3.196 551 HG3 GLN 79 2HG GLN 79 -8.303 -4.418 3.451 552 HE21 GLN 79 1HE2 GLN 79 -8.034 -5.296 5.801 553 HE22 GLN 79 2HE2 GLN 79 -8.197 -4.100 7.037 554 H ALA 80 H ALA 80 -7.297 -6.912 1.912 555 HA ALA 80 HA ALA 80 -8.738 -5.590 -0.285 556 HB1 ALA 80 1HB ALA 80 -9.202 -7.672 -1.198 557 HB2 ALA 80 2HB ALA 80 -7.570 -7.877 -0.561 558 HB3 ALA 80 3HB ALA 80 -8.951 -8.511 0.332 559 H LEU 81 H LEU 81 -10.833 -5.080 -0.085 560 HA LEU 81 HA LEU 81 -12.223 -5.957 2.358 561 HB2 LEU 81 1HB LEU 81 -12.364 -3.428 0.756 562 HB3 LEU 81 2HB LEU 81 -13.677 -3.898 1.833 563 HG LEU 81 HG LEU 81 -11.672 -4.058 3.574 564 HD11 LEU 81 1HD1 LEU 81 -10.674 -2.345 1.353 565 HD12 LEU 81 2HD1 LEU 81 -9.800 -3.466 2.396 566 HD13 LEU 81 3HD1 LEU 81 -10.300 -1.893 3.016 567 HD21 LEU 81 1HD2 LEU 81 -12.877 -2.452 4.515 568 HD22 LEU 81 2HD2 LEU 81 -13.743 -2.253 2.990 569 HD23 LEU 81 3HD2 LEU 81 -12.314 -1.276 3.328 570 H SER 82 H SER 82 -14.316 -6.718 2.238 571 HA SER 82 HA SER 82 -15.451 -7.065 -0.454 572 HB2 SER 82 1HB SER 82 -16.137 -9.359 0.153 573 HB3 SER 82 2HB SER 82 -14.383 -9.175 0.189 574 HG SER 82 HG SER 82 -14.427 -9.165 2.388 575 H VAL 83 H VAL 83 -17.781 -8.214 -0.001 576 HA VAL 83 HA VAL 83 -19.215 -6.217 1.556 577 HB VAL 83 HB VAL 83 -21.252 -7.244 0.546 578 HG11 VAL 83 1HG1 VAL 83 -20.310 -5.331 -0.526 579 HG12 VAL 83 2HG1 VAL 83 -19.062 -6.310 -1.301 580 HG13 VAL 83 3HG1 VAL 83 -20.750 -6.484 -1.785 581 HG21 VAL 83 1HG2 VAL 83 -21.195 -9.221 -0.466 582 HG22 VAL 83 2HG2 VAL 83 -19.922 -8.676 -1.558 583 HG23 VAL 83 3HG2 VAL 83 -19.502 -9.367 0.009 584 H VAL 84 H VAL 84 -17.794 -9.025 2.308 585 HA VAL 84 HA VAL 84 -19.887 -9.764 4.249 586 HB VAL 84 HB VAL 84 -19.190 -11.459 2.386 587 HG11 VAL 84 1HG1 VAL 84 -17.104 -12.262 4.361 588 HG12 VAL 84 2HG1 VAL 84 -17.250 -12.667 2.649 589 HG13 VAL 84 3HG1 VAL 84 -16.715 -11.057 3.134 590 HG21 VAL 84 1HG2 VAL 84 -19.331 -12.225 5.300 591 HG22 VAL 84 2HG2 VAL 84 -20.699 -11.984 4.215 592 HG23 VAL 84 3HG2 VAL 84 -19.584 -13.323 3.943 593 H GLY 85 H GLY 85 -16.595 -8.879 3.716 594 HA2 GLY 85 1HA GLY 85 -16.149 -8.342 6.466 595 HA3 GLY 85 2HA GLY 85 -15.337 -9.830 6.004 596 H ALA 86 H ALA 86 -13.470 -8.433 6.723 597 HA ALA 86 HA ALA 86 -12.428 -6.974 4.388 598 HB1 ALA 86 1HB ALA 86 -11.228 -5.975 6.776 599 HB2 ALA 86 2HB ALA 86 -12.180 -5.112 5.567 600 HB3 ALA 86 3HB ALA 86 -12.983 -5.888 6.932 601 H GLY 87 H GLY 87 -10.894 -8.257 3.569 602 HA2 GLY 87 1HA GLY 87 -9.517 -10.285 4.849 603 HA3 GLY 87 2HA GLY 87 -8.934 -9.443 3.421 604 HA PRO 88 HA PRO 88 -6.338 -8.560 7.320 605 HB2 PRO 88 1HB PRO 88 -4.220 -10.166 6.770 606 HB3 PRO 88 2HB PRO 88 -5.610 -10.703 7.721 607 HG2 PRO 88 1HG PRO 88 -4.997 -11.175 4.829 608 HG3 PRO 88 2HG PRO 88 -5.626 -12.308 6.039 609 HD2 PRO 88 1HD PRO 88 -7.218 -11.092 4.219 610 HD3 PRO 88 2HD PRO 88 -7.780 -11.515 5.849 611 H PHE 89 H PHE 89 -3.818 -8.040 7.153 612 HA PHE 89 HA PHE 89 -3.543 -6.343 4.778 613 HB2 PHE 89 1HB PHE 89 -2.505 -6.191 7.577 614 HB3 PHE 89 2HB PHE 89 -1.595 -5.403 6.291 615 HD1 PHE 89 2HD PHE 89 -2.810 -3.710 4.840 616 HD2 PHE 89 1HD PHE 89 -4.367 -5.165 8.523 617 HE1 PHE 89 2HE PHE 89 -4.310 -1.764 4.970 618 HE2 PHE 89 1HE PHE 89 -5.870 -3.222 8.660 619 HZ PHE 89 HZ PHE 89 -5.842 -1.517 6.882 620 H SER 90 H SER 90 -1.676 -6.337 3.528 621 HA SER 90 HA SER 90 -0.350 -8.850 3.295 622 HB2 SER 90 1HB SER 90 0.884 -7.788 1.450 623 HB3 SER 90 2HB SER 90 -0.845 -7.462 1.327 624 HG SER 90 HG SER 90 1.219 -5.728 1.616 625 H GLU 91 H GLU 91 2.191 -8.630 2.850 626 HA GLU 91 HA GLU 91 3.358 -8.233 5.402 627 HB2 GLU 91 1HB GLU 91 4.652 -8.660 2.704 628 HB3 GLU 91 2HB GLU 91 5.501 -8.717 4.241 629 HG2 GLU 91 1HG GLU 91 3.765 -10.531 4.857 630 HG3 GLU 91 2HG GLU 91 3.504 -10.630 3.117 631 H VAL 92 H VAL 92 3.905 -6.370 6.298 632 HA VAL 92 HA VAL 92 3.782 -3.872 5.197 633 HB VAL 92 HB VAL 92 5.672 -4.776 7.373 634 HG11 VAL 92 1HG1 VAL 92 4.714 -2.036 7.494 635 HG12 VAL 92 2HG1 VAL 92 6.354 -2.670 7.651 636 HG13 VAL 92 3HG1 VAL 92 5.678 -2.353 6.052 637 HG21 VAL 92 1HG2 VAL 92 3.561 -5.283 8.173 638 HG22 VAL 92 2HG2 VAL 92 3.799 -3.640 8.769 639 HG23 VAL 92 3HG2 VAL 92 2.805 -3.924 7.341 640 H VAL 93 H VAL 93 4.820 -2.961 3.561 641 HA VAL 93 HA VAL 93 7.501 -3.913 2.852 642 HB VAL 93 HB VAL 93 5.751 -2.086 1.212 643 HG11 VAL 93 1HG1 VAL 93 8.406 -2.936 0.943 644 HG12 VAL 93 2HG1 VAL 93 7.482 -3.859 -0.243 645 HG13 VAL 93 3HG1 VAL 93 7.420 -2.096 -0.253 646 HG21 VAL 93 1HG2 VAL 93 4.448 -4.053 1.537 647 HG22 VAL 93 2HG2 VAL 93 5.167 -4.165 -0.070 648 HG23 VAL 93 3HG2 VAL 93 5.844 -5.096 1.265 649 H ALA 94 H ALA 94 8.970 -2.811 4.026 650 HA ALA 94 HA ALA 94 8.678 -0.028 4.660 651 HB1 ALA 94 1HB ALA 94 10.629 -0.239 5.912 652 HB2 ALA 94 2HB ALA 94 9.897 -1.840 6.018 653 HB3 ALA 94 3HB ALA 94 11.243 -1.557 4.914 654 H CYS 95 H CYS 95 9.948 1.698 3.914 655 HA CYS 95 HA CYS 95 11.785 1.312 1.723 656 HB2 CYS 95 1HB CYS 95 10.535 2.791 0.168 657 HB3 CYS 95 2HB CYS 95 9.700 1.277 0.491 658 HG CYS 95 HG CYS 95 7.530 2.702 0.654 659 H VAL 96 H VAL 96 13.352 2.780 1.860 660 HA VAL 96 HA VAL 96 12.829 5.223 3.424 661 HB VAL 96 HB VAL 96 15.477 3.822 3.025 662 HG11 VAL 96 1HG1 VAL 96 14.750 6.091 4.873 663 HG12 VAL 96 2HG1 VAL 96 16.344 5.365 4.662 664 HG13 VAL 96 3HG1 VAL 96 15.606 6.274 3.343 665 HG21 VAL 96 1HG2 VAL 96 13.557 2.791 4.514 666 HG22 VAL 96 2HG2 VAL 96 15.238 2.783 5.049 667 HG23 VAL 96 3HG2 VAL 96 14.122 4.000 5.668 668 H THR 97 H THR 97 12.773 7.023 2.269 669 HA THR 97 HA THR 97 13.512 7.176 -0.448 670 HB THR 97 HB THR 97 13.102 9.584 -0.267 671 HG1 THR 97 1HG THR 97 13.345 9.009 2.472 672 HG21 THR 97 1HG2 THR 97 10.949 9.034 -0.417 673 HG22 THR 97 2HG2 THR 97 10.856 8.974 1.343 674 HG23 THR 97 3HG2 THR 97 11.257 7.519 0.433 675 HA PRO 98 HA PRO 98 17.820 8.045 -0.311 676 HB2 PRO 98 1HB PRO 98 18.079 9.520 -2.575 677 HB3 PRO 98 2HB PRO 98 17.806 7.773 -2.592 678 HG2 PRO 98 1HG PRO 98 15.843 9.999 -2.977 679 HG3 PRO 98 2HG PRO 98 15.999 8.478 -3.874 680 HD2 PRO 98 1HD PRO 98 14.143 8.845 -1.936 681 HD3 PRO 98 2HD PRO 98 14.891 7.266 -2.256 682 HA PRO 99 HA PRO 99 18.320 11.981 1.624 683 HB2 PRO 99 1HB PRO 99 21.023 12.185 1.468 684 HB3 PRO 99 2HB PRO 99 20.205 11.096 2.594 685 HG2 PRO 99 1HG PRO 99 21.447 10.492 -0.062 686 HG3 PRO 99 2HG PRO 99 21.539 9.572 1.452 687 HD2 PRO 99 1HD PRO 99 19.873 8.888 -0.571 688 HD3 PRO 99 2HD PRO 99 19.471 8.604 1.135 689 H SER 100 H SER 100 18.296 14.065 0.991 690 HA SER 100 HA SER 100 18.943 14.641 -1.802 691 HB2 SER 100 1HB SER 100 16.695 15.250 -0.805 692 HB3 SER 100 2HB SER 100 17.539 16.455 0.167 693 HG SER 100 HG SER 100 17.509 16.317 -2.670 694 H SER 101 H SER 101 19.425 16.132 1.400 695 HA SER 101 HA SER 101 21.349 18.006 0.479 696 HB2 SER 101 1HB SER 101 19.971 18.263 2.559 697 HB3 SER 101 2HB SER 101 20.964 17.015 3.312 698 HG SER 101 HG SER 101 22.737 18.586 2.472 699 H GLY 102 H GLY 102 23.110 17.174 -0.519 700 HA2 GLY 102 1HA GLY 102 25.079 15.866 1.129 701 HA3 GLY 102 2HA GLY 102 24.436 14.830 -0.138 702 HA PRO 103 HA PRO 103 27.870 17.819 -1.629 703 HB2 PRO 103 1HB PRO 103 30.013 16.158 -1.480 704 HB3 PRO 103 2HB PRO 103 29.541 17.239 -0.163 705 HG2 PRO 103 1HG PRO 103 29.002 14.314 -0.500 706 HG3 PRO 103 2HG PRO 103 29.504 15.198 0.953 707 HD2 PRO 103 1HD PRO 103 26.938 14.453 0.517 708 HD3 PRO 103 2HD PRO 103 27.366 15.933 1.399 709 H SER 104 H SER 104 26.408 14.918 -2.358 710 HA SER 104 HA SER 104 27.897 14.363 -4.784 711 HB2 SER 104 1HB SER 104 26.999 12.492 -3.470 712 HB3 SER 104 2HB SER 104 25.362 13.108 -3.701 713 HG SER 104 HG SER 104 26.448 11.398 -5.209 714 H SER 105 H SER 105 24.673 15.534 -3.883 715 HA SER 105 HA SER 105 24.005 16.060 -6.659 716 HB2 SER 105 1HB SER 105 21.840 16.878 -5.690 717 HB3 SER 105 2HB SER 105 22.223 15.208 -5.275 718 HG SER 105 HG SER 105 22.744 15.825 -3.237 719 H GLY 106 H GLY 106 24.859 17.812 -7.573 720 HA2 GLY 106 1HA GLY 106 24.441 20.288 -7.614 721 HA3 GLY 106 2HA GLY 106 25.020 20.279 -5.954 Start of MODEL 14 1 H1 GLY 1 H GLY 1 -6.698 -23.427 11.703 2 HA2 GLY 1 1HA GLY 1 -7.513 -21.509 13.774 3 HA3 GLY 1 2HA GLY 1 -6.906 -20.891 12.246 4 H SER 2 H SER 2 -8.132 -21.205 10.344 5 HA SER 2 HA SER 2 -10.880 -22.160 10.749 6 HB2 SER 2 1HB SER 2 -11.418 -20.141 9.098 7 HB3 SER 2 2HB SER 2 -11.390 -19.922 10.847 8 HG SER 2 HG SER 2 -10.020 -18.397 10.309 9 H SER 3 H SER 3 -11.861 -23.077 8.959 10 HA SER 3 HA SER 3 -10.037 -23.689 6.741 11 HB2 SER 3 1HB SER 3 -11.092 -25.547 8.150 12 HB3 SER 3 2HB SER 3 -12.615 -25.128 7.366 13 HG SER 3 HG SER 3 -11.113 -25.356 5.368 14 H GLY 4 H GLY 4 -10.312 -22.472 4.994 15 HA2 GLY 4 1HA GLY 4 -11.328 -21.062 3.470 16 HA3 GLY 4 2HA GLY 4 -12.455 -22.404 3.340 17 H SER 5 H SER 5 -11.788 -19.724 5.600 18 HA SER 5 HA SER 5 -14.587 -19.512 6.269 19 HB2 SER 5 1HB SER 5 -13.901 -17.778 7.813 20 HB3 SER 5 2HB SER 5 -12.769 -19.125 7.939 21 HG SER 5 HG SER 5 -11.687 -17.116 7.829 22 H SER 6 H SER 6 -15.447 -17.128 6.362 23 HA SER 6 HA SER 6 -15.734 -16.284 3.659 24 HB2 SER 6 1HB SER 6 -17.190 -14.539 4.566 25 HB3 SER 6 2HB SER 6 -17.556 -16.091 5.319 26 HG SER 6 HG SER 6 -16.547 -15.440 7.162 27 H GLY 7 H GLY 7 -14.317 -15.112 2.559 28 HA2 GLY 7 1HA GLY 7 -13.435 -12.700 2.647 29 HA3 GLY 7 2HA GLY 7 -12.542 -13.287 4.043 30 HA PRO 8 HA PRO 8 -10.396 -14.149 -0.162 31 HB2 PRO 8 1HB PRO 8 -8.776 -11.976 -0.323 32 HB3 PRO 8 2HB PRO 8 -10.387 -12.029 -1.050 33 HG2 PRO 8 1HG PRO 8 -9.516 -10.807 1.541 34 HG3 PRO 8 2HG PRO 8 -10.617 -10.158 0.312 35 HD2 PRO 8 1HD PRO 8 -11.502 -11.322 2.591 36 HD3 PRO 8 2HD PRO 8 -12.397 -11.416 1.062 37 H ASP 9 H ASP 9 -7.832 -13.940 -0.419 38 HA ASP 9 HA ASP 9 -6.733 -14.995 2.086 39 HB2 ASP 9 1HB ASP 9 -6.002 -15.338 -0.807 40 HB3 ASP 9 2HB ASP 9 -4.832 -15.703 0.458 41 H GLN 10 H GLN 10 -4.482 -14.459 2.625 42 HA GLN 10 HA GLN 10 -4.033 -11.801 3.039 43 HB2 GLN 10 1HB GLN 10 -2.723 -13.446 4.196 44 HB3 GLN 10 2HB GLN 10 -2.018 -14.023 2.691 45 HG2 GLN 10 1HG GLN 10 -0.302 -12.745 3.434 46 HG3 GLN 10 2HG GLN 10 -1.194 -11.521 2.530 47 HE21 GLN 10 1HE2 GLN 10 0.603 -10.939 4.587 48 HE22 GLN 10 2HE2 GLN 10 -0.273 -10.235 5.899 49 H CYS 11 H CYS 11 -3.248 -10.102 1.930 50 HA CYS 11 HA CYS 11 -2.856 -10.423 -0.922 51 HB2 CYS 11 1HB CYS 11 -2.918 -7.966 0.840 52 HB3 CYS 11 2HB CYS 11 -2.732 -7.925 -0.909 53 HG CYS 11 HG CYS 11 -5.429 -9.553 0.327 54 H LYS 12 H LYS 12 -1.023 -9.561 -2.057 55 HA LYS 12 HA LYS 12 1.459 -10.110 -0.663 56 HB2 LYS 12 1HB LYS 12 2.487 -10.157 -2.801 57 HB3 LYS 12 2HB LYS 12 0.925 -10.941 -2.994 58 HG2 LYS 12 1HG LYS 12 0.083 -9.262 -4.287 59 HG3 LYS 12 2HG LYS 12 1.110 -8.029 -3.552 60 HD2 LYS 12 1HD LYS 12 3.053 -9.285 -4.689 61 HD3 LYS 12 2HD LYS 12 1.795 -10.040 -5.670 62 HE2 LYS 12 1HE LYS 12 1.101 -7.947 -6.543 63 HE3 LYS 12 2HE LYS 12 2.060 -7.058 -5.362 64 HZ1 LYS 12 1HZ LYS 12 2.963 -8.519 -7.754 65 HZ2 LYS 12 2HZ LYS 12 4.028 -8.271 -6.463 66 HZ3 LYS 12 3HZ LYS 12 3.341 -6.945 -7.259 67 HA PRO 13 HA PRO 13 2.671 -5.957 0.090 68 HB2 PRO 13 1HB PRO 13 5.366 -6.156 -0.171 69 HB3 PRO 13 2HB PRO 13 4.484 -6.820 1.208 70 HG2 PRO 13 1HG PRO 13 5.497 -8.212 -1.241 71 HG3 PRO 13 2HG PRO 13 5.557 -8.740 0.451 72 HD2 PRO 13 1HD PRO 13 3.713 -9.669 -1.300 73 HD3 PRO 13 2HD PRO 13 3.372 -9.473 0.431 74 HA PRO 14 HA PRO 14 2.882 -4.134 -3.963 75 HB2 PRO 14 1HB PRO 14 2.946 -1.550 -3.136 76 HB3 PRO 14 2HB PRO 14 1.470 -2.521 -3.136 77 HG2 PRO 14 1HG PRO 14 3.317 -1.882 -0.869 78 HG3 PRO 14 2HG PRO 14 1.544 -1.897 -0.897 79 HD2 PRO 14 1HD PRO 14 3.001 -3.934 0.129 80 HD3 PRO 14 2HD PRO 14 1.434 -4.187 -0.666 81 H GLN 15 H GLN 15 4.352 -2.880 -5.231 82 HA GLN 15 HA GLN 15 7.081 -2.932 -4.166 83 HB2 GLN 15 1HB GLN 15 6.676 -4.172 -6.245 84 HB3 GLN 15 2HB GLN 15 6.104 -2.699 -7.017 85 HG2 GLN 15 1HG GLN 15 8.336 -3.092 -7.734 86 HG3 GLN 15 2HG GLN 15 8.350 -1.705 -6.645 87 HE21 GLN 15 1HE2 GLN 15 9.851 -4.542 -7.407 88 HE22 GLN 15 2HE2 GLN 15 10.687 -4.828 -5.923 89 H VAL 16 H VAL 16 7.952 -1.100 -3.487 90 HA VAL 16 HA VAL 16 6.783 1.447 -4.284 91 HB VAL 16 HB VAL 16 8.487 2.347 -2.584 92 HG11 VAL 16 1HG1 VAL 16 5.915 1.195 -2.304 93 HG12 VAL 16 2HG1 VAL 16 6.850 0.775 -0.867 94 HG13 VAL 16 3HG1 VAL 16 6.658 2.466 -1.333 95 HG21 VAL 16 1HG2 VAL 16 8.501 -0.413 -1.458 96 HG22 VAL 16 2HG2 VAL 16 9.679 0.008 -2.701 97 HG23 VAL 16 3HG2 VAL 16 9.626 0.919 -1.192 98 H THR 17 H THR 17 7.694 2.834 -5.665 99 HA THR 17 HA THR 17 10.461 2.305 -6.536 100 HB THR 17 HB THR 17 8.176 3.366 -8.211 101 HG1 THR 17 1HG THR 17 7.856 1.262 -8.352 102 HG21 THR 17 1HG2 THR 17 10.009 2.855 -10.028 103 HG22 THR 17 2HG2 THR 17 11.113 3.126 -8.680 104 HG23 THR 17 3HG2 THR 17 9.994 4.397 -9.174 105 H CYS 18 H CYS 18 11.536 3.803 -5.327 106 HA CYS 18 HA CYS 18 10.657 6.383 -4.708 107 HB2 CYS 18 1HB CYS 18 13.039 6.866 -4.212 108 HB3 CYS 18 2HB CYS 18 12.491 5.353 -3.501 109 HG CYS 18 HG CYS 18 14.146 3.769 -4.711 110 H ARG 19 H ARG 19 9.861 7.532 -6.423 111 HA ARG 19 HA ARG 19 11.187 7.758 -8.926 112 HB2 ARG 19 1HB ARG 19 9.045 9.499 -7.692 113 HB3 ARG 19 2HB ARG 19 9.552 9.560 -9.373 114 HG2 ARG 19 1HG ARG 19 8.628 6.962 -8.261 115 HG3 ARG 19 2HG ARG 19 7.432 8.204 -8.635 116 HD2 ARG 19 1HD ARG 19 9.474 7.061 -10.538 117 HD3 ARG 19 2HD ARG 19 7.748 6.702 -10.526 118 HE ARG 19 HE ARG 19 7.913 9.426 -10.788 119 HH11 ARG 19 1HH1 ARG 19 9.097 6.670 -12.555 120 HH12 ARG 19 2HH1 ARG 19 9.068 7.476 -14.088 121 HH21 ARG 19 1HH2 ARG 19 7.870 10.498 -12.801 122 HH22 ARG 19 2HH2 ARG 19 8.371 9.654 -14.227 123 H SER 20 H SER 20 11.231 9.617 -5.957 124 HA SER 20 HA SER 20 13.651 10.942 -6.753 125 HB2 SER 20 1HB SER 20 11.707 12.296 -7.769 126 HB3 SER 20 2HB SER 20 11.342 12.767 -6.109 127 HG SER 20 HG SER 20 13.196 13.761 -7.747 128 H ALA 21 H ALA 21 14.194 12.682 -4.975 129 HA ALA 21 HA ALA 21 14.477 11.345 -2.548 130 HB1 ALA 21 1HB ALA 21 14.561 14.331 -2.954 131 HB2 ALA 21 2HB ALA 21 15.327 13.411 -1.658 132 HB3 ALA 21 3HB ALA 21 15.890 13.230 -3.319 133 H THR 22 H THR 22 11.971 13.526 -3.668 134 HA THR 22 HA THR 22 10.552 13.125 -1.113 135 HB THR 22 HB THR 22 9.612 15.260 -1.217 136 HG1 THR 22 1HG THR 22 9.781 16.548 -3.168 137 HG21 THR 22 1HG2 THR 22 11.560 16.813 -1.826 138 HG22 THR 22 2HG2 THR 22 12.449 15.338 -2.204 139 HG23 THR 22 3HG2 THR 22 11.841 15.607 -0.572 140 H CYS 23 H CYS 23 10.550 11.528 -3.645 141 HA CYS 23 HA CYS 23 7.643 11.580 -4.072 142 HB2 CYS 23 1HB CYS 23 9.726 11.170 -6.228 143 HB3 CYS 23 2HB CYS 23 7.985 11.051 -6.451 144 HG CYS 23 HG CYS 23 9.105 13.472 -7.520 145 H ALA 24 H ALA 24 6.658 9.589 -4.359 146 HA ALA 24 HA ALA 24 8.222 7.172 -4.535 147 HB1 ALA 24 1HB ALA 24 7.478 6.207 -2.433 148 HB2 ALA 24 2HB ALA 24 8.396 7.686 -2.144 149 HB3 ALA 24 3HB ALA 24 6.635 7.702 -2.026 150 H GLN 25 H GLN 25 7.090 5.597 -5.514 151 HA GLN 25 HA GLN 25 4.179 5.973 -5.764 152 HB2 GLN 25 1HB GLN 25 5.459 6.315 -7.871 153 HB3 GLN 25 2HB GLN 25 6.035 4.657 -7.753 154 HG2 GLN 25 1HG GLN 25 3.734 3.848 -7.911 155 HG3 GLN 25 2HG GLN 25 3.163 5.511 -8.040 156 HE21 GLN 25 1HE2 GLN 25 2.323 4.133 -10.011 157 HE22 GLN 25 2HE2 GLN 25 3.250 4.337 -11.455 158 H VAL 26 H VAL 26 2.849 4.131 -5.739 159 HA VAL 26 HA VAL 26 4.134 1.693 -4.691 160 HB VAL 26 HB VAL 26 1.364 2.597 -3.925 161 HG11 VAL 26 1HG1 VAL 26 1.889 0.208 -3.674 162 HG12 VAL 26 2HG1 VAL 26 3.261 0.630 -2.649 163 HG13 VAL 26 3HG1 VAL 26 1.620 0.996 -2.120 164 HG21 VAL 26 1HG2 VAL 26 3.744 2.903 -2.135 165 HG22 VAL 26 2HG2 VAL 26 3.294 4.181 -3.264 166 HG23 VAL 26 3HG2 VAL 26 2.158 3.663 -2.019 167 H ASN 27 H ASN 27 3.132 -0.305 -5.210 168 HA ASN 27 HA ASN 27 1.005 -0.286 -7.200 169 HB2 ASN 27 1HB ASN 27 3.784 -1.339 -7.721 170 HB3 ASN 27 2HB ASN 27 2.385 -1.872 -8.647 171 HD21 ASN 27 1HD2 ASN 27 4.074 1.062 -7.618 172 HD22 ASN 27 2HD2 ASN 27 3.776 1.952 -9.069 173 H TRP 28 H TRP 28 -0.399 -1.844 -6.747 174 HA TRP 28 HA TRP 28 0.568 -4.291 -5.434 175 HB2 TRP 28 1HB TRP 28 -1.370 -4.296 -3.952 176 HB3 TRP 28 2HB TRP 28 -0.439 -2.816 -3.733 177 HD1 TRP 28 HD TRP 28 -3.812 -4.076 -4.993 178 HE1 TRP 28 1HE TRP 28 -5.387 -2.064 -5.299 179 HE3 TRP 28 3HE TRP 28 -0.452 -0.294 -4.252 180 HZ2 TRP 28 2HZ TRP 28 -5.227 0.753 -5.235 181 HZ3 TRP 28 3HZ TRP 28 -1.244 2.031 -4.393 182 HH2 TRP 28 HH TRP 28 -3.582 2.542 -4.875 183 H GLU 29 H GLU 29 -1.523 -5.851 -5.316 184 HA GLU 29 HA GLU 29 -3.127 -5.713 -7.722 185 HB2 GLU 29 1HB GLU 29 -0.985 -7.796 -7.330 186 HB3 GLU 29 2HB GLU 29 -2.369 -8.063 -8.381 187 HG2 GLU 29 1HG GLU 29 -1.671 -5.878 -9.525 188 HG3 GLU 29 2HG GLU 29 -0.137 -6.092 -8.682 189 H VAL 30 H VAL 30 -4.518 -7.775 -7.886 190 HA VAL 30 HA VAL 30 -5.668 -8.219 -5.255 191 HB VAL 30 HB VAL 30 -6.653 -9.205 -7.935 192 HG11 VAL 30 1HG1 VAL 30 -8.134 -8.889 -5.327 193 HG12 VAL 30 2HG1 VAL 30 -8.754 -9.579 -6.829 194 HG13 VAL 30 3HG1 VAL 30 -7.487 -10.415 -5.929 195 HG21 VAL 30 1HG2 VAL 30 -6.911 -6.599 -6.554 196 HG22 VAL 30 2HG2 VAL 30 -6.905 -6.974 -8.278 197 HG23 VAL 30 3HG2 VAL 30 -8.362 -7.245 -7.322 198 HA PRO 31 HA PRO 31 -3.662 -12.132 -4.735 199 HB2 PRO 31 1HB PRO 31 -5.139 -12.987 -2.624 200 HB3 PRO 31 2HB PRO 31 -3.878 -11.758 -2.478 201 HG2 PRO 31 1HG PRO 31 -6.843 -11.413 -2.686 202 HG3 PRO 31 2HG PRO 31 -5.693 -10.580 -1.626 203 HD2 PRO 31 1HD PRO 31 -6.655 -9.460 -3.896 204 HD3 PRO 31 2HD PRO 31 -5.021 -9.128 -3.286 205 H LEU 32 H LEU 32 -4.617 -14.466 -4.098 206 HA LEU 32 HA LEU 32 -6.438 -15.114 -6.272 207 HB2 LEU 32 1HB LEU 32 -4.307 -16.365 -5.855 208 HB3 LEU 32 2HB LEU 32 -5.037 -16.990 -4.377 209 HG LEU 32 HG LEU 32 -6.804 -18.052 -5.769 210 HD11 LEU 32 1HD1 LEU 32 -7.022 -17.617 -7.933 211 HD12 LEU 32 2HD1 LEU 32 -5.337 -18.038 -8.240 212 HD13 LEU 32 3HD1 LEU 32 -5.764 -16.392 -7.767 213 HD21 LEU 32 1HD2 LEU 32 -5.388 -19.725 -5.316 214 HD22 LEU 32 2HD2 LEU 32 -3.965 -18.755 -5.699 215 HD23 LEU 32 3HD2 LEU 32 -4.870 -19.542 -6.992 216 H SER 33 H SER 33 -8.480 -14.577 -5.627 217 HA SER 33 HA SER 33 -9.473 -15.832 -3.154 218 HB2 SER 33 1HB SER 33 -10.664 -13.490 -4.658 219 HB3 SER 33 2HB SER 33 -11.208 -14.127 -3.106 220 HG SER 33 HG SER 33 -8.795 -13.659 -2.594 221 H ASN 34 H ASN 34 -10.557 -17.643 -3.518 222 HA ASN 34 HA ASN 34 -12.029 -17.947 -6.040 223 HB2 ASN 34 1HB ASN 34 -12.128 -20.415 -5.104 224 HB3 ASN 34 2HB ASN 34 -10.680 -19.812 -5.907 225 HD21 ASN 34 1HD2 ASN 34 -8.897 -19.167 -4.617 226 HD22 ASN 34 2HD2 ASN 34 -8.683 -19.810 -3.028 227 H GLY 35 H GLY 35 -13.295 -16.289 -4.322 228 HA2 GLY 35 1HA GLY 35 -15.801 -17.554 -3.966 229 HA3 GLY 35 2HA GLY 35 -14.993 -17.405 -2.413 230 H THR 36 H THR 36 -13.825 -15.013 -2.435 231 HA THR 36 HA THR 36 -16.103 -13.179 -2.708 232 HB THR 36 HB THR 36 -14.782 -11.704 -1.147 233 HG1 THR 36 1HG THR 36 -13.206 -13.198 0.085 234 HG21 THR 36 1HG2 THR 36 -15.472 -12.857 0.814 235 HG22 THR 36 2HG2 THR 36 -15.342 -14.427 0.020 236 HG23 THR 36 3HG2 THR 36 -16.616 -13.301 -0.451 237 H ASP 37 H ASP 37 -15.926 -11.238 -3.774 238 HA ASP 37 HA ASP 37 -13.499 -10.904 -5.410 239 HB2 ASP 37 1HB ASP 37 -16.396 -10.512 -5.977 240 HB3 ASP 37 2HB ASP 37 -15.260 -9.409 -6.750 241 H VAL 38 H VAL 38 -12.233 -9.438 -4.453 242 HA VAL 38 HA VAL 38 -12.935 -7.466 -2.663 243 HB VAL 38 HB VAL 38 -10.710 -7.114 -4.665 244 HG11 VAL 38 1HG1 VAL 38 -11.522 -5.454 -2.699 245 HG12 VAL 38 2HG1 VAL 38 -10.365 -6.452 -1.816 246 HG13 VAL 38 3HG1 VAL 38 -9.854 -5.575 -3.259 247 HG21 VAL 38 1HG2 VAL 38 -9.347 -8.334 -2.861 248 HG22 VAL 38 2HG2 VAL 38 -10.899 -8.964 -2.310 249 HG23 VAL 38 3HG2 VAL 38 -10.340 -9.305 -3.947 250 H THR 39 H THR 39 -13.859 -5.516 -2.771 251 HA THR 39 HA THR 39 -14.467 -4.436 -5.445 252 HB THR 39 HB THR 39 -16.329 -3.200 -4.280 253 HG1 THR 39 1HG THR 39 -15.820 -3.292 -2.147 254 HG21 THR 39 1HG2 THR 39 -17.707 -5.355 -3.925 255 HG22 THR 39 2HG2 THR 39 -16.246 -6.195 -4.447 256 HG23 THR 39 3HG2 THR 39 -17.035 -5.045 -5.525 257 H GLU 40 H GLU 40 -13.129 -3.730 -2.303 258 HA GLU 40 HA GLU 40 -12.228 -1.129 -3.330 259 HB2 GLU 40 1HB GLU 40 -13.680 -1.717 -0.795 260 HB3 GLU 40 2HB GLU 40 -12.419 -0.493 -0.755 261 HG2 GLU 40 1HG GLU 40 -14.800 0.287 -1.172 262 HG3 GLU 40 2HG GLU 40 -13.547 0.890 -2.256 263 H TYR 41 H TYR 41 -10.316 -0.286 -2.200 264 HA TYR 41 HA TYR 41 -8.719 -2.339 -0.847 265 HB2 TYR 41 1HB TYR 41 -7.671 -0.651 -3.127 266 HB3 TYR 41 2HB TYR 41 -6.780 -1.876 -2.231 267 HD1 TYR 41 1HD TYR 41 -9.912 -1.548 -4.249 268 HD2 TYR 41 2HD TYR 41 -6.582 -3.971 -3.179 269 HE1 TYR 41 1HE TYR 41 -10.637 -3.249 -5.869 270 HE2 TYR 41 2HE TYR 41 -7.296 -5.679 -4.798 271 HH TYR 41 HH TYR 41 -9.085 -5.293 -7.211 272 H ARG 42 H ARG 42 -8.099 -1.527 1.032 273 HA ARG 42 HA ARG 42 -7.863 1.366 1.356 274 HB2 ARG 42 1HB ARG 42 -8.193 -0.950 3.213 275 HB3 ARG 42 2HB ARG 42 -7.452 0.522 3.829 276 HG2 ARG 42 1HG ARG 42 -9.412 1.802 3.244 277 HG3 ARG 42 2HG ARG 42 -10.148 0.383 2.496 278 HD2 ARG 42 1HD ARG 42 -9.896 -0.725 4.789 279 HD3 ARG 42 2HD ARG 42 -9.599 0.901 5.402 280 HE ARG 42 HE ARG 42 -11.927 1.081 3.957 281 HH11 ARG 42 1HH1 ARG 42 -10.801 -0.765 6.685 282 HH12 ARG 42 2HH1 ARG 42 -12.369 -0.897 7.409 283 HH21 ARG 42 1HH2 ARG 42 -13.997 0.915 4.901 284 HH22 ARG 42 2HH2 ARG 42 -14.187 0.058 6.393 285 H LEU 43 H LEU 43 -5.934 2.159 0.801 286 HA LEU 43 HA LEU 43 -3.517 0.616 1.383 287 HB2 LEU 43 1HB LEU 43 -3.785 1.489 -0.881 288 HB3 LEU 43 2HB LEU 43 -3.908 3.126 -0.241 289 HG LEU 43 HG LEU 43 -1.538 2.725 0.676 290 HD11 LEU 43 1HD1 LEU 43 -0.284 1.142 -0.902 291 HD12 LEU 43 2HD1 LEU 43 -1.862 0.419 -1.210 292 HD13 LEU 43 3HD1 LEU 43 -1.203 0.433 0.426 293 HD21 LEU 43 1HD2 LEU 43 -0.671 3.037 -1.815 294 HD22 LEU 43 2HD2 LEU 43 -1.551 4.305 -0.960 295 HD23 LEU 43 3HD2 LEU 43 -2.395 3.268 -2.112 296 H GLU 44 H GLU 44 -2.522 0.983 3.243 297 HA GLU 44 HA GLU 44 -2.832 3.594 4.541 298 HB2 GLU 44 1HB GLU 44 -2.309 0.831 5.507 299 HB3 GLU 44 2HB GLU 44 -1.602 2.153 6.425 300 HG2 GLU 44 1HG GLU 44 -3.955 3.156 6.434 301 HG3 GLU 44 2HG GLU 44 -4.493 1.557 5.922 302 H TRP 45 H TRP 45 -1.170 4.958 4.819 303 HA TRP 45 HA TRP 45 1.566 4.001 4.467 304 HB2 TRP 45 1HB TRP 45 0.914 4.708 2.229 305 HB3 TRP 45 2HB TRP 45 0.363 6.260 2.854 306 HD1 TRP 45 HD TRP 45 2.474 7.722 4.126 307 HE1 TRP 45 1HE TRP 45 4.859 8.069 3.222 308 HE3 TRP 45 3HE TRP 45 2.674 3.809 0.842 309 HZ2 TRP 45 2HZ TRP 45 6.595 6.845 1.362 310 HZ3 TRP 45 3HZ TRP 45 4.734 3.468 -0.461 311 HH2 TRP 45 HH TRP 45 6.652 4.956 -0.205 312 H GLY 46 H GLY 46 2.880 4.857 5.947 313 HA2 GLY 46 1HA GLY 46 2.285 7.522 7.019 314 HA3 GLY 46 2HA GLY 46 2.390 6.177 8.146 315 H GLY 47 H GLY 47 4.067 8.007 8.801 316 HA2 GLY 47 1HA GLY 47 6.551 7.992 7.382 317 HA3 GLY 47 2HA GLY 47 6.271 8.656 8.985 318 H VAL 48 H VAL 48 5.804 6.809 10.664 319 HA VAL 48 HA VAL 48 7.933 4.804 10.307 320 HB VAL 48 HB VAL 48 8.238 6.532 12.129 321 HG11 VAL 48 1HG1 VAL 48 5.926 6.656 12.883 322 HG12 VAL 48 2HG1 VAL 48 5.994 4.974 13.411 323 HG13 VAL 48 3HG1 VAL 48 6.990 6.192 14.210 324 HG21 VAL 48 1HG2 VAL 48 9.039 4.888 13.769 325 HG22 VAL 48 2HG2 VAL 48 8.133 3.625 12.935 326 HG23 VAL 48 3HG2 VAL 48 9.471 4.436 12.120 327 H GLU 49 H GLU 49 7.612 2.713 11.288 328 HA GLU 49 HA GLU 49 5.175 1.526 10.660 329 HB2 GLU 49 1HB GLU 49 6.019 -0.463 11.668 330 HB3 GLU 49 2HB GLU 49 7.389 0.366 10.944 331 HG2 GLU 49 1HG GLU 49 6.722 0.760 13.831 332 HG3 GLU 49 2HG GLU 49 7.635 -0.650 13.297 333 H GLY 50 H GLY 50 6.235 3.096 13.578 334 HA2 GLY 50 1HA GLY 50 4.168 2.013 15.254 335 HA3 GLY 50 2HA GLY 50 5.235 3.353 15.646 336 H SER 51 H SER 51 4.246 4.452 12.889 337 HA SER 51 HA SER 51 1.595 5.364 13.746 338 HB2 SER 51 1HB SER 51 4.023 7.045 13.338 339 HB3 SER 51 2HB SER 51 2.476 7.691 12.791 340 HG SER 51 HG SER 51 1.840 6.896 15.074 341 H MET 52 H MET 52 0.369 4.589 12.142 342 HA MET 52 HA MET 52 0.960 5.477 9.423 343 HB2 MET 52 1HB MET 52 0.409 2.608 10.192 344 HB3 MET 52 2HB MET 52 0.364 3.211 8.541 345 HG2 MET 52 1HG MET 52 2.722 3.837 8.711 346 HG3 MET 52 2HG MET 52 2.762 3.214 10.358 347 HE1 MET 52 1HE MET 52 2.275 2.619 6.717 348 HE2 MET 52 2HE MET 52 2.690 0.929 6.432 349 HE3 MET 52 3HE MET 52 1.078 1.356 7.009 350 H GLN 53 H GLN 53 -0.856 5.719 8.103 351 HA GLN 53 HA GLN 53 -3.472 5.017 9.150 352 HB2 GLN 53 1HB GLN 53 -2.648 7.883 8.662 353 HB3 GLN 53 2HB GLN 53 -4.309 7.355 8.893 354 HG2 GLN 53 1HG GLN 53 -3.841 6.652 11.132 355 HG3 GLN 53 2HG GLN 53 -2.118 6.957 10.914 356 HE21 GLN 53 1HE2 GLN 53 -3.713 8.054 12.961 357 HE22 GLN 53 2HE2 GLN 53 -3.753 9.768 12.748 358 H ILE 54 H ILE 54 -5.219 5.588 7.574 359 HA ILE 54 HA ILE 54 -4.446 4.738 4.962 360 HB ILE 54 HB ILE 54 -7.100 5.732 6.004 361 HG12 ILE 54 1HG1 ILE 54 -5.815 3.042 5.716 362 HG13 ILE 54 2HG1 ILE 54 -6.731 3.699 7.067 363 HG21 ILE 54 1HG2 ILE 54 -8.107 4.980 3.982 364 HG22 ILE 54 2HG2 ILE 54 -6.772 6.044 3.540 365 HG23 ILE 54 3HG2 ILE 54 -6.587 4.294 3.410 366 HD11 ILE 54 1HD1 ILE 54 -7.904 2.878 4.421 367 HD12 ILE 54 2HD1 ILE 54 -7.922 1.908 5.894 368 HD13 ILE 54 3HD1 ILE 54 -8.792 3.441 5.838 369 H CYS 55 H CYS 55 -4.301 5.872 3.079 370 HA CYS 55 HA CYS 55 -4.682 8.787 3.232 371 HB2 CYS 55 1HB CYS 55 -2.338 7.213 2.246 372 HB3 CYS 55 2HB CYS 55 -2.724 8.740 1.462 373 HG CYS 55 HG CYS 55 -1.905 10.343 3.347 374 H TYR 56 H TYR 56 -4.947 5.852 1.400 375 HA TYR 56 HA TYR 56 -6.501 7.309 -0.627 376 HB2 TYR 56 1HB TYR 56 -4.384 6.788 -1.667 377 HB3 TYR 56 2HB TYR 56 -4.479 5.117 -1.123 378 HD1 TYR 56 1HD TYR 56 -6.151 7.602 -3.325 379 HD2 TYR 56 2HD TYR 56 -5.494 3.487 -2.464 380 HE1 TYR 56 1HE TYR 56 -7.273 6.989 -5.426 381 HE2 TYR 56 2HE TYR 56 -6.614 2.863 -4.564 382 HH TYR 56 HH TYR 56 -7.470 5.217 -6.959 383 H CYS 57 H CYS 57 -8.433 6.444 -1.105 384 HA CYS 57 HA CYS 57 -8.984 3.674 -0.313 385 HB2 CYS 57 1HB CYS 57 -10.297 6.138 0.704 386 HB3 CYS 57 2HB CYS 57 -11.343 4.770 0.344 387 HG CYS 57 HG CYS 57 -11.031 3.799 2.695 388 H GLY 58 H GLY 58 -9.613 2.650 -2.091 389 HA2 GLY 58 1HA GLY 58 -11.890 3.212 -3.552 390 HA3 GLY 58 2HA GLY 58 -10.576 4.009 -4.404 391 HA PRO 59 HA PRO 59 -10.978 -0.544 -5.615 392 HB2 PRO 59 1HB PRO 59 -11.780 -0.143 -8.178 393 HB3 PRO 59 2HB PRO 59 -12.913 -0.305 -6.831 394 HG2 PRO 59 1HG PRO 59 -11.915 2.175 -8.179 395 HG3 PRO 59 2HG PRO 59 -13.561 1.770 -7.658 396 HD2 PRO 59 1HD PRO 59 -11.937 3.394 -6.223 397 HD3 PRO 59 2HD PRO 59 -13.140 2.332 -5.463 398 H GLY 60 H GLY 60 -9.501 2.336 -6.822 399 HA2 GLY 60 1HA GLY 60 -7.965 1.601 -8.935 400 HA3 GLY 60 2HA GLY 60 -7.366 2.642 -7.652 401 H LEU 61 H LEU 61 -5.666 0.998 -9.078 402 HA LEU 61 HA LEU 61 -4.971 -1.051 -7.076 403 HB2 LEU 61 1HB LEU 61 -4.472 -1.073 -10.049 404 HB3 LEU 61 2HB LEU 61 -3.851 -2.270 -8.915 405 HG LEU 61 HG LEU 61 -6.785 -1.772 -9.402 406 HD11 LEU 61 1HD1 LEU 61 -6.440 -2.777 -11.368 407 HD12 LEU 61 2HD1 LEU 61 -6.209 -4.246 -10.419 408 HD13 LEU 61 3HD1 LEU 61 -4.813 -3.294 -10.925 409 HD21 LEU 61 1HD2 LEU 61 -7.187 -3.666 -8.102 410 HD22 LEU 61 2HD2 LEU 61 -5.931 -2.805 -7.212 411 HD23 LEU 61 3HD2 LEU 61 -5.512 -4.207 -8.199 412 H SER 62 H SER 62 -4.014 1.761 -8.742 413 HA SER 62 HA SER 62 -1.321 1.536 -7.578 414 HB2 SER 62 1HB SER 62 -0.512 2.885 -9.572 415 HB3 SER 62 2HB SER 62 -0.964 1.215 -9.914 416 HG SER 62 HG SER 62 -3.052 2.088 -10.552 417 H TYR 63 H TYR 63 -0.520 3.347 -6.603 418 HA TYR 63 HA TYR 63 -1.988 5.859 -6.839 419 HB2 TYR 63 1HB TYR 63 -3.044 4.647 -4.962 420 HB3 TYR 63 2HB TYR 63 -1.475 4.522 -4.174 421 HD1 TYR 63 1HD TYR 63 -4.186 6.815 -5.127 422 HD2 TYR 63 2HD TYR 63 -0.497 6.409 -3.046 423 HE1 TYR 63 1HE TYR 63 -4.567 8.988 -4.039 424 HE2 TYR 63 2HE TYR 63 -0.869 8.579 -1.952 425 HH TYR 63 HH TYR 63 -2.111 10.486 -2.018 426 H GLU 64 H GLU 64 -0.662 7.563 -6.857 427 HA GLU 64 HA GLU 64 2.169 7.104 -6.289 428 HB2 GLU 64 1HB GLU 64 2.119 8.106 -8.344 429 HB3 GLU 64 2HB GLU 64 0.640 8.991 -7.998 430 HG2 GLU 64 1HG GLU 64 3.119 9.746 -6.543 431 HG3 GLU 64 2HG GLU 64 2.951 10.214 -8.234 432 H ILE 65 H ILE 65 3.344 8.302 -4.834 433 HA ILE 65 HA ILE 65 1.816 10.139 -3.110 434 HB ILE 65 HB ILE 65 3.794 8.021 -2.285 435 HG12 ILE 65 1HG1 ILE 65 1.106 8.548 -1.060 436 HG13 ILE 65 2HG1 ILE 65 1.221 7.652 -2.570 437 HG21 ILE 65 1HG2 ILE 65 4.476 9.909 -1.052 438 HG22 ILE 65 2HG2 ILE 65 2.813 10.418 -0.762 439 HG23 ILE 65 3HG2 ILE 65 3.446 8.979 0.036 440 HD11 ILE 65 1HD1 ILE 65 1.805 5.801 -1.506 441 HD12 ILE 65 2HD1 ILE 65 3.075 6.638 -0.612 442 HD13 ILE 65 3HD1 ILE 65 1.421 6.637 -0.001 443 H LYS 66 H LYS 66 2.848 11.973 -2.412 444 HA LYS 66 HA LYS 66 5.657 12.359 -3.136 445 HB2 LYS 66 1HB LYS 66 3.329 13.949 -4.148 446 HB3 LYS 66 2HB LYS 66 4.880 14.741 -3.904 447 HG2 LYS 66 1HG LYS 66 5.843 12.846 -5.346 448 HG3 LYS 66 2HG LYS 66 4.167 12.552 -5.818 449 HD2 LYS 66 1HD LYS 66 5.287 15.319 -5.967 450 HD3 LYS 66 2HD LYS 66 5.667 14.152 -7.235 451 HE2 LYS 66 1HE LYS 66 3.429 13.945 -7.875 452 HE3 LYS 66 2HE LYS 66 2.839 14.635 -6.364 453 HZ1 LYS 66 1HZ LYS 66 3.080 16.716 -7.123 454 HZ2 LYS 66 2HZ LYS 66 3.039 15.995 -8.653 455 HZ3 LYS 66 3HZ LYS 66 4.524 16.383 -7.941 456 H GLY 67 H GLY 67 6.187 14.819 -2.399 457 HA2 GLY 67 1HA GLY 67 6.388 16.296 -0.643 458 HA3 GLY 67 2HA GLY 67 4.832 15.725 -0.061 459 H LEU 68 H LEU 68 7.584 13.625 -0.612 460 HA LEU 68 HA LEU 68 7.547 12.921 2.223 461 HB2 LEU 68 1HB LEU 68 9.121 11.585 0.037 462 HB3 LEU 68 2HB LEU 68 8.699 10.936 1.620 463 HG LEU 68 HG LEU 68 6.648 11.544 -0.499 464 HD11 LEU 68 1HD1 LEU 68 7.053 8.756 -0.180 465 HD12 LEU 68 2HD1 LEU 68 8.613 9.499 -0.533 466 HD13 LEU 68 3HD1 LEU 68 7.255 9.741 -1.630 467 HD21 LEU 68 1HD2 LEU 68 6.415 9.562 1.729 468 HD22 LEU 68 2HD2 LEU 68 5.145 10.398 0.836 469 HD23 LEU 68 3HD2 LEU 68 6.113 11.274 2.023 470 H SER 69 H SER 69 9.770 12.321 3.147 471 HA SER 69 HA SER 69 11.632 14.517 2.529 472 HB2 SER 69 1HB SER 69 11.017 13.081 5.110 473 HB3 SER 69 2HB SER 69 12.462 14.071 4.910 474 HG SER 69 HG SER 69 11.245 15.853 4.760 475 HA PRO 70 HA PRO 70 14.646 11.567 1.266 476 HB2 PRO 70 1HB PRO 70 16.882 13.058 1.646 477 HB3 PRO 70 2HB PRO 70 15.757 13.338 0.314 478 HG2 PRO 70 1HG PRO 70 15.987 14.772 2.931 479 HG3 PRO 70 2HG PRO 70 15.739 15.441 1.308 480 HD2 PRO 70 1HD PRO 70 13.715 15.123 3.078 481 HD3 PRO 70 2HD PRO 70 13.481 14.975 1.325 482 H ALA 71 H ALA 71 16.192 10.148 2.093 483 HA ALA 71 HA ALA 71 17.106 8.812 3.698 484 HB1 ALA 71 1HB ALA 71 17.736 11.274 5.279 485 HB2 ALA 71 2HB ALA 71 18.702 9.815 5.048 486 HB3 ALA 71 3HB ALA 71 18.523 10.973 3.729 487 H THR 72 H THR 72 14.495 8.708 4.004 488 HA THR 72 HA THR 72 14.151 8.622 6.905 489 HB THR 72 HB THR 72 12.088 9.861 5.074 490 HG1 THR 72 1HG THR 72 13.823 11.005 7.023 491 HG21 THR 72 1HG2 THR 72 11.944 10.017 8.039 492 HG22 THR 72 2HG2 THR 72 11.502 8.491 7.274 493 HG23 THR 72 3HG2 THR 72 10.647 9.972 6.845 494 H THR 73 H THR 73 13.236 6.778 7.556 495 HA THR 73 HA THR 73 12.563 4.759 5.660 496 HB THR 73 HB THR 73 11.854 4.573 8.573 497 HG1 THR 73 1HG THR 73 14.420 4.648 7.396 498 HG21 THR 73 1HG2 THR 73 11.224 2.629 7.454 499 HG22 THR 73 2HG2 THR 73 12.822 2.221 8.079 500 HG23 THR 73 3HG2 THR 73 12.626 2.673 6.386 501 H TYR 74 H TYR 74 10.598 3.935 5.077 502 HA TYR 74 HA TYR 74 8.194 5.190 6.204 503 HB2 TYR 74 1HB TYR 74 8.947 4.989 3.295 504 HB3 TYR 74 2HB TYR 74 7.273 5.167 3.809 505 HD1 TYR 74 1HD TYR 74 6.518 7.238 4.890 506 HD2 TYR 74 2HD TYR 74 10.493 6.827 3.429 507 HE1 TYR 74 1HE TYR 74 6.811 9.678 5.016 508 HE2 TYR 74 2HE TYR 74 10.796 9.265 3.552 509 HH TYR 74 HH TYR 74 9.142 11.241 5.273 510 H TYR 75 H TYR 75 6.184 3.991 5.559 511 HA TYR 75 HA TYR 75 6.621 1.170 4.945 512 HB2 TYR 75 1HB TYR 75 5.114 2.070 7.407 513 HB3 TYR 75 2HB TYR 75 5.345 0.409 6.874 514 HD1 TYR 75 2HD TYR 75 7.495 -0.700 7.151 515 HD2 TYR 75 1HD TYR 75 6.916 3.306 8.461 516 HE1 TYR 75 2HE TYR 75 9.566 -0.839 8.470 517 HE2 TYR 75 1HE TYR 75 8.986 3.180 9.784 518 HH TYR 75 HH TYR 75 11.030 0.281 9.723 519 H CYS 76 H CYS 76 4.724 0.057 4.272 520 HA CYS 76 HA CYS 76 2.283 1.596 3.923 521 HB2 CYS 76 1HB CYS 76 2.185 1.283 1.518 522 HB3 CYS 76 2HB CYS 76 3.660 2.146 1.936 523 HG CYS 76 HG CYS 76 5.209 0.574 0.643 524 H ARG 77 H ARG 77 0.455 0.336 3.636 525 HA ARG 77 HA ARG 77 0.765 -2.547 3.340 526 HB2 ARG 77 1HB ARG 77 -0.484 -3.080 5.334 527 HB3 ARG 77 2HB ARG 77 0.896 -2.086 5.779 528 HG2 ARG 77 1HG ARG 77 -0.586 -0.119 5.870 529 HG3 ARG 77 2HG ARG 77 -1.959 -1.169 5.509 530 HD2 ARG 77 1HD ARG 77 -1.914 -2.164 7.575 531 HD3 ARG 77 2HD ARG 77 -0.188 -1.876 7.793 532 HE ARG 77 HE ARG 77 -1.539 0.587 7.773 533 HH11 ARG 77 1HH1 ARG 77 -1.155 -2.254 9.749 534 HH12 ARG 77 2HH1 ARG 77 -1.444 -1.417 11.238 535 HH21 ARG 77 1HH2 ARG 77 -1.923 1.700 9.728 536 HH22 ARG 77 2HH2 ARG 77 -1.883 0.833 11.224 537 H VAL 78 H VAL 78 -0.717 -3.270 1.970 538 HA VAL 78 HA VAL 78 -3.173 -1.685 1.595 539 HB VAL 78 HB VAL 78 -1.817 -1.730 -0.412 540 HG11 VAL 78 1HG1 VAL 78 -1.760 -4.193 -1.476 541 HG12 VAL 78 2HG1 VAL 78 -0.445 -3.527 -0.506 542 HG13 VAL 78 3HG1 VAL 78 -1.629 -4.606 0.233 543 HG21 VAL 78 1HG2 VAL 78 -3.626 -1.911 -1.705 544 HG22 VAL 78 2HG2 VAL 78 -3.793 -3.634 -1.366 545 HG23 VAL 78 3HG2 VAL 78 -4.481 -2.447 -0.258 546 H GLN 79 H GLN 79 -5.148 -2.672 1.629 547 HA GLN 79 HA GLN 79 -5.197 -5.565 2.168 548 HB2 GLN 79 1HB GLN 79 -6.818 -5.291 3.890 549 HB3 GLN 79 2HB GLN 79 -5.516 -4.162 4.238 550 HG2 GLN 79 1HG GLN 79 -6.786 -2.313 3.618 551 HG3 GLN 79 2HG GLN 79 -7.950 -3.295 2.730 552 HE21 GLN 79 1HE2 GLN 79 -8.755 -5.165 4.388 553 HE22 GLN 79 2HE2 GLN 79 -9.457 -4.504 5.822 554 H ALA 80 H ALA 80 -7.163 -6.648 1.592 555 HA ALA 80 HA ALA 80 -8.549 -5.311 -0.625 556 HB1 ALA 80 1HB ALA 80 -9.270 -7.970 -0.726 557 HB2 ALA 80 2HB ALA 80 -8.001 -7.198 -1.679 558 HB3 ALA 80 3HB ALA 80 -7.595 -8.019 -0.173 559 H LEU 81 H LEU 81 -10.585 -4.683 -0.375 560 HA LEU 81 HA LEU 81 -12.067 -5.569 1.979 561 HB2 LEU 81 1HB LEU 81 -12.455 -3.328 0.016 562 HB3 LEU 81 2HB LEU 81 -13.679 -3.759 1.208 563 HG LEU 81 HG LEU 81 -11.616 -3.433 2.861 564 HD11 LEU 81 1HD1 LEU 81 -11.028 -1.426 0.698 565 HD12 LEU 81 2HD1 LEU 81 -10.114 -2.918 0.912 566 HD13 LEU 81 3HD1 LEU 81 -10.136 -1.707 2.193 567 HD21 LEU 81 1HD2 LEU 81 -13.627 -1.548 1.750 568 HD22 LEU 81 2HD2 LEU 81 -12.378 -0.900 2.812 569 HD23 LEU 81 3HD2 LEU 81 -13.448 -2.180 3.387 570 H SER 82 H SER 82 -13.816 -6.848 1.909 571 HA SER 82 HA SER 82 -14.807 -7.648 -0.749 572 HB2 SER 82 1HB SER 82 -15.416 -9.813 0.294 573 HB3 SER 82 2HB SER 82 -13.685 -9.491 0.389 574 HG SER 82 HG SER 82 -14.128 -10.040 2.415 575 H VAL 83 H VAL 83 -17.101 -8.738 -0.440 576 HA VAL 83 HA VAL 83 -18.789 -6.644 0.658 577 HB VAL 83 HB VAL 83 -20.640 -7.824 -0.444 578 HG11 VAL 83 1HG1 VAL 83 -18.177 -7.171 -2.018 579 HG12 VAL 83 2HG1 VAL 83 -19.651 -7.708 -2.826 580 HG13 VAL 83 3HG1 VAL 83 -19.667 -6.244 -1.843 581 HG21 VAL 83 1HG2 VAL 83 -19.827 -9.720 -2.050 582 HG22 VAL 83 2HG2 VAL 83 -18.534 -9.898 -0.864 583 HG23 VAL 83 3HG2 VAL 83 -20.216 -10.086 -0.369 584 H VAL 84 H VAL 84 -17.336 -9.166 2.020 585 HA VAL 84 HA VAL 84 -19.627 -9.787 3.770 586 HB VAL 84 HB VAL 84 -18.497 -11.663 2.296 587 HG11 VAL 84 1HG1 VAL 84 -16.764 -11.775 4.754 588 HG12 VAL 84 2HG1 VAL 84 -16.672 -12.785 3.309 589 HG13 VAL 84 3HG1 VAL 84 -16.226 -11.081 3.225 590 HG21 VAL 84 1HG2 VAL 84 -19.131 -13.309 3.992 591 HG22 VAL 84 2HG2 VAL 84 -19.166 -12.039 5.216 592 HG23 VAL 84 3HG2 VAL 84 -20.319 -12.012 3.882 593 H GLY 85 H GLY 85 -16.524 -8.445 3.537 594 HA2 GLY 85 1HA GLY 85 -16.301 -7.262 5.922 595 HA3 GLY 85 2HA GLY 85 -15.820 -8.904 6.321 596 H ALA 86 H ALA 86 -14.467 -6.114 6.000 597 HA ALA 86 HA ALA 86 -12.628 -5.967 4.025 598 HB1 ALA 86 1HB ALA 86 -11.291 -5.513 6.545 599 HB2 ALA 86 2HB ALA 86 -11.759 -4.361 5.293 600 HB3 ALA 86 3HB ALA 86 -12.914 -4.823 6.542 601 H GLY 87 H GLY 87 -10.763 -6.952 3.404 602 HA2 GLY 87 1HA GLY 87 -10.241 -9.573 4.540 603 HA3 GLY 87 2HA GLY 87 -9.518 -8.902 3.086 604 HA PRO 88 HA PRO 88 -6.513 -8.824 6.720 605 HB2 PRO 88 1HB PRO 88 -4.698 -10.550 5.670 606 HB3 PRO 88 2HB PRO 88 -6.054 -11.075 6.675 607 HG2 PRO 88 1HG PRO 88 -5.786 -11.094 3.693 608 HG3 PRO 88 2HG PRO 88 -6.449 -12.342 4.765 609 HD2 PRO 88 1HD PRO 88 -8.021 -10.636 3.368 610 HD3 PRO 88 2HD PRO 88 -8.482 -11.272 4.959 611 H PHE 89 H PHE 89 -4.337 -7.975 6.668 612 HA PHE 89 HA PHE 89 -3.869 -6.350 4.284 613 HB2 PHE 89 1HB PHE 89 -3.149 -6.125 7.163 614 HB3 PHE 89 2HB PHE 89 -2.049 -5.403 5.994 615 HD1 PHE 89 1HD PHE 89 -5.479 -5.339 7.323 616 HD2 PHE 89 2HD PHE 89 -2.619 -3.416 4.826 617 HE1 PHE 89 1HE PHE 89 -6.932 -3.357 7.191 618 HE2 PHE 89 2HE PHE 89 -4.067 -1.431 4.691 619 HZ PHE 89 HZ PHE 89 -6.226 -1.399 5.874 620 H SER 90 H SER 90 -1.752 -6.146 3.373 621 HA SER 90 HA SER 90 -0.410 -8.670 3.147 622 HB2 SER 90 1HB SER 90 1.004 -7.541 1.501 623 HB3 SER 90 2HB SER 90 -0.693 -7.158 1.211 624 HG SER 90 HG SER 90 0.937 -5.481 2.788 625 H GLU 91 H GLU 91 2.197 -8.279 2.961 626 HA GLU 91 HA GLU 91 2.992 -7.858 5.705 627 HB2 GLU 91 1HB GLU 91 4.625 -8.656 3.290 628 HB3 GLU 91 2HB GLU 91 5.196 -8.664 4.952 629 HG2 GLU 91 1HG GLU 91 4.648 -10.851 4.747 630 HG3 GLU 91 2HG GLU 91 3.091 -10.225 5.287 631 H VAL 92 H VAL 92 3.477 -5.905 6.438 632 HA VAL 92 HA VAL 92 3.703 -3.548 5.186 633 HB VAL 92 HB VAL 92 5.494 -4.400 7.466 634 HG11 VAL 92 1HG1 VAL 92 5.175 -1.846 7.958 635 HG12 VAL 92 2HG1 VAL 92 6.418 -2.394 6.830 636 HG13 VAL 92 3HG1 VAL 92 4.888 -1.760 6.220 637 HG21 VAL 92 1HG2 VAL 92 2.638 -3.656 7.284 638 HG22 VAL 92 2HG2 VAL 92 3.463 -4.721 8.421 639 HG23 VAL 92 3HG2 VAL 92 3.550 -2.973 8.631 640 H VAL 93 H VAL 93 5.036 -2.512 3.831 641 HA VAL 93 HA VAL 93 7.582 -3.830 3.147 642 HB VAL 93 HB VAL 93 5.875 -2.021 1.431 643 HG11 VAL 93 1HG1 VAL 93 8.220 -1.728 0.920 644 HG12 VAL 93 2HG1 VAL 93 8.446 -3.476 0.817 645 HG13 VAL 93 3HG1 VAL 93 7.442 -2.642 -0.371 646 HG21 VAL 93 1HG2 VAL 93 6.250 -4.995 1.535 647 HG22 VAL 93 2HG2 VAL 93 4.751 -4.066 1.504 648 HG23 VAL 93 3HG2 VAL 93 5.744 -4.187 0.051 649 H ALA 94 H ALA 94 9.201 -2.829 4.160 650 HA ALA 94 HA ALA 94 9.100 -0.006 4.764 651 HB1 ALA 94 1HB ALA 94 11.683 -1.063 5.266 652 HB2 ALA 94 2HB ALA 94 10.427 -0.630 6.426 653 HB3 ALA 94 3HB ALA 94 10.495 -2.265 5.770 654 H CYS 95 H CYS 95 10.356 1.603 3.884 655 HA CYS 95 HA CYS 95 12.356 1.020 1.890 656 HB2 CYS 95 1HB CYS 95 11.299 1.855 -0.005 657 HB3 CYS 95 2HB CYS 95 10.002 0.961 0.778 658 HG CYS 95 HG CYS 95 10.371 4.309 0.414 659 H VAL 96 H VAL 96 13.887 2.542 1.930 660 HA VAL 96 HA VAL 96 13.291 5.046 3.356 661 HB VAL 96 HB VAL 96 15.926 3.642 2.898 662 HG11 VAL 96 1HG1 VAL 96 16.493 5.551 4.707 663 HG12 VAL 96 2HG1 VAL 96 16.732 5.752 2.970 664 HG13 VAL 96 3HG1 VAL 96 15.281 6.394 3.742 665 HG21 VAL 96 1HG2 VAL 96 15.365 4.145 5.629 666 HG22 VAL 96 2HG2 VAL 96 13.932 3.406 4.914 667 HG23 VAL 96 3HG2 VAL 96 15.493 2.591 4.805 668 H THR 97 H THR 97 13.496 6.966 2.372 669 HA THR 97 HA THR 97 13.935 7.027 -0.472 670 HB THR 97 HB THR 97 13.478 9.454 -0.274 671 HG1 THR 97 1HG THR 97 12.822 9.099 2.436 672 HG21 THR 97 1HG2 THR 97 11.226 8.687 1.274 673 HG22 THR 97 2HG2 THR 97 11.707 7.299 0.297 674 HG23 THR 97 3HG2 THR 97 11.347 8.841 -0.478 675 HA PRO 98 HA PRO 98 18.184 8.141 -0.564 676 HB2 PRO 98 1HB PRO 98 18.247 9.701 -2.785 677 HB3 PRO 98 2HB PRO 98 18.054 7.946 -2.850 678 HG2 PRO 98 1HG PRO 98 15.974 10.090 -3.046 679 HG3 PRO 98 2HG PRO 98 16.146 8.607 -4.004 680 HD2 PRO 98 1HD PRO 98 14.389 8.822 -1.954 681 HD3 PRO 98 2HD PRO 98 15.187 7.292 -2.372 682 HA PRO 99 HA PRO 99 18.621 12.031 1.477 683 HB2 PRO 99 1HB PRO 99 21.297 12.371 1.166 684 HB3 PRO 99 2HB PRO 99 20.602 11.205 2.298 685 HG2 PRO 99 1HG PRO 99 21.705 10.754 -0.448 686 HG3 PRO 99 2HG PRO 99 21.933 9.788 1.022 687 HD2 PRO 99 1HD PRO 99 20.179 9.093 -0.921 688 HD3 PRO 99 2HD PRO 99 19.898 8.732 0.795 689 H SER 100 H SER 100 18.336 14.088 0.870 690 HA SER 100 HA SER 100 18.816 14.800 -1.915 691 HB2 SER 100 1HB SER 100 16.631 15.260 -0.607 692 HB3 SER 100 2HB SER 100 17.523 16.590 0.131 693 HG SER 100 HG SER 100 16.815 16.214 -2.572 694 H SER 101 H SER 101 20.979 15.207 -2.107 695 HA SER 101 HA SER 101 21.919 17.743 -1.240 696 HB2 SER 101 1HB SER 101 23.856 16.895 0.105 697 HB3 SER 101 2HB SER 101 22.291 16.648 0.881 698 HG SER 101 HG SER 101 22.401 14.479 -0.130 699 H GLY 102 H GLY 102 24.259 18.070 -1.881 700 HA2 GLY 102 1HA GLY 102 26.129 17.312 -3.210 701 HA3 GLY 102 2HA GLY 102 25.019 16.272 -4.090 702 HA PRO 103 HA PRO 103 24.423 20.864 -5.593 703 HB2 PRO 103 1HB PRO 103 26.589 22.452 -5.191 704 HB3 PRO 103 2HB PRO 103 25.256 22.336 -4.036 705 HG2 PRO 103 1HG PRO 103 27.925 20.981 -3.991 706 HG3 PRO 103 2HG PRO 103 27.036 21.748 -2.661 707 HD2 PRO 103 1HD PRO 103 27.073 19.065 -3.035 708 HD3 PRO 103 2HD PRO 103 25.673 19.915 -2.350 709 H SER 104 H SER 104 27.501 19.186 -5.651 710 HA SER 104 HA SER 104 28.788 20.148 -7.830 711 HB2 SER 104 1HB SER 104 29.927 18.140 -7.941 712 HB3 SER 104 2HB SER 104 29.228 18.019 -6.327 713 HG SER 104 HG SER 104 27.394 16.978 -7.614 714 H SER 105 H SER 105 28.781 19.760 -10.071 715 HA SER 105 HA SER 105 26.239 19.764 -11.281 716 HB2 SER 105 1HB SER 105 29.016 19.431 -12.423 717 HB3 SER 105 2HB SER 105 27.571 19.517 -13.431 718 HG SER 105 HG SER 105 27.286 21.588 -12.882 719 H GLY 106 H GLY 106 25.475 18.248 -12.950 720 HA2 GLY 106 1HA GLY 106 26.464 15.527 -12.834 721 HA3 GLY 106 2HA GLY 106 24.888 15.764 -12.093 Start of MODEL 15 1 H1 GLY 1 H GLY 1 -8.029 -23.941 10.354 2 HA2 GLY 1 1HA GLY 1 -9.773 -23.275 8.442 3 HA3 GLY 1 2HA GLY 1 -9.956 -22.664 10.080 4 H SER 2 H SER 2 -7.748 -21.893 7.389 5 HA SER 2 HA SER 2 -7.716 -19.126 7.984 6 HB2 SER 2 1HB SER 2 -5.957 -20.451 6.698 7 HB3 SER 2 2HB SER 2 -7.033 -20.341 5.306 8 HG SER 2 HG SER 2 -6.211 -18.057 6.752 9 H SER 3 H SER 3 -8.267 -17.484 6.192 10 HA SER 3 HA SER 3 -11.096 -17.656 5.741 11 HB2 SER 3 1HB SER 3 -9.569 -15.563 6.269 12 HB3 SER 3 2HB SER 3 -9.426 -15.501 4.513 13 HG SER 3 HG SER 3 -11.323 -14.624 4.498 14 H GLY 4 H GLY 4 -11.397 -19.350 4.282 15 HA2 GLY 4 1HA GLY 4 -10.303 -18.899 1.576 16 HA3 GLY 4 2HA GLY 4 -10.745 -20.474 2.216 17 H SER 5 H SER 5 -13.050 -20.846 2.668 18 HA SER 5 HA SER 5 -14.664 -20.441 0.492 19 HB2 SER 5 1HB SER 5 -15.385 -20.923 3.382 20 HB3 SER 5 2HB SER 5 -16.596 -20.887 2.101 21 HG SER 5 HG SER 5 -16.073 -22.948 2.043 22 H SER 6 H SER 6 -14.657 -18.538 3.497 23 HA SER 6 HA SER 6 -16.269 -16.491 2.137 24 HB2 SER 6 1HB SER 6 -15.832 -17.120 5.055 25 HB3 SER 6 2HB SER 6 -16.554 -15.602 4.523 26 HG SER 6 HG SER 6 -18.048 -17.372 5.021 27 H GLY 7 H GLY 7 -15.070 -14.959 1.222 28 HA2 GLY 7 1HA GLY 7 -13.776 -12.969 1.480 29 HA3 GLY 7 2HA GLY 7 -12.944 -13.722 2.832 30 HA PRO 8 HA PRO 8 -10.762 -14.303 -1.421 31 HB2 PRO 8 1HB PRO 8 -9.210 -12.079 -1.522 32 HB3 PRO 8 2HB PRO 8 -10.818 -12.162 -2.250 33 HG2 PRO 8 1HG PRO 8 -9.984 -10.985 0.373 34 HG3 PRO 8 2HG PRO 8 -11.105 -10.337 -0.838 35 HD2 PRO 8 1HD PRO 8 -11.952 -11.589 1.409 36 HD3 PRO 8 2HD PRO 8 -12.845 -11.668 -0.124 37 H ASP 9 H ASP 9 -8.261 -14.202 -1.696 38 HA ASP 9 HA ASP 9 -7.125 -15.359 0.707 39 HB2 ASP 9 1HB ASP 9 -6.371 -15.258 -2.178 40 HB3 ASP 9 2HB ASP 9 -5.094 -15.535 -0.997 41 H GLN 10 H GLN 10 -4.949 -14.749 1.438 42 HA GLN 10 HA GLN 10 -4.725 -12.194 2.322 43 HB2 GLN 10 1HB GLN 10 -3.290 -14.114 3.017 44 HB3 GLN 10 2HB GLN 10 -2.365 -13.909 1.535 45 HG2 GLN 10 1HG GLN 10 -1.897 -11.552 2.300 46 HG3 GLN 10 2HG GLN 10 -2.579 -12.020 3.857 47 HE21 GLN 10 1HE2 GLN 10 -0.019 -11.127 3.720 48 HE22 GLN 10 2HE2 GLN 10 1.081 -12.425 4.014 49 H CYS 11 H CYS 11 -3.555 -10.332 1.714 50 HA CYS 11 HA CYS 11 -3.437 -9.955 -1.174 51 HB2 CYS 11 1HB CYS 11 -3.132 -7.928 1.051 52 HB3 CYS 11 2HB CYS 11 -3.297 -7.569 -0.664 53 HG CYS 11 HG CYS 11 -5.890 -9.212 -0.344 54 H LYS 12 H LYS 12 -1.609 -9.781 -2.308 55 HA LYS 12 HA LYS 12 0.899 -10.343 -1.067 56 HB2 LYS 12 1HB LYS 12 0.084 -9.654 -3.884 57 HB3 LYS 12 2HB LYS 12 1.770 -9.872 -3.434 58 HG2 LYS 12 1HG LYS 12 -0.236 -11.993 -2.801 59 HG3 LYS 12 2HG LYS 12 0.440 -11.857 -4.426 60 HD2 LYS 12 1HD LYS 12 2.290 -11.860 -2.086 61 HD3 LYS 12 2HD LYS 12 1.574 -13.386 -2.612 62 HE2 LYS 12 1HE LYS 12 2.556 -13.224 -4.749 63 HE3 LYS 12 2HE LYS 12 2.963 -11.524 -4.519 64 HZ1 LYS 12 1HZ LYS 12 4.707 -12.049 -3.109 65 HZ2 LYS 12 2HZ LYS 12 4.809 -13.259 -4.285 66 HZ3 LYS 12 3HZ LYS 12 4.125 -13.602 -2.776 67 HA PRO 13 HA PRO 13 2.430 -6.312 -0.239 68 HB2 PRO 13 1HB PRO 13 5.085 -6.669 -0.676 69 HB3 PRO 13 2HB PRO 13 4.246 -7.334 0.729 70 HG2 PRO 13 1HG PRO 13 5.016 -8.683 -1.829 71 HG3 PRO 13 2HG PRO 13 5.144 -9.283 -0.166 72 HD2 PRO 13 1HD PRO 13 3.140 -10.021 -1.832 73 HD3 PRO 13 2HD PRO 13 2.918 -9.876 -0.076 74 HA PRO 14 HA PRO 14 2.500 -4.369 -4.248 75 HB2 PRO 14 1HB PRO 14 2.688 -1.819 -3.339 76 HB3 PRO 14 2HB PRO 14 1.181 -2.740 -3.307 77 HG2 PRO 14 1HG PRO 14 3.142 -2.242 -1.102 78 HG3 PRO 14 2HG PRO 14 1.370 -2.197 -1.054 79 HD2 PRO 14 1HD PRO 14 2.799 -4.317 -0.161 80 HD3 PRO 14 2HD PRO 14 1.191 -4.490 -0.895 81 H GLN 15 H GLN 15 3.897 -2.693 -5.351 82 HA GLN 15 HA GLN 15 6.692 -3.066 -4.511 83 HB2 GLN 15 1HB GLN 15 6.324 -4.072 -6.645 84 HB3 GLN 15 2HB GLN 15 5.466 -2.656 -7.236 85 HG2 GLN 15 1HG GLN 15 7.496 -1.367 -7.244 86 HG3 GLN 15 2HG GLN 15 8.383 -2.697 -6.501 87 HE21 GLN 15 1HE2 GLN 15 9.472 -3.965 -7.816 88 HE22 GLN 15 2HE2 GLN 15 9.192 -4.157 -9.510 89 H VAL 16 H VAL 16 7.600 -1.342 -3.627 90 HA VAL 16 HA VAL 16 6.505 1.309 -4.119 91 HB VAL 16 HB VAL 16 8.255 1.990 -2.393 92 HG11 VAL 16 1HG1 VAL 16 6.182 -0.024 -1.532 93 HG12 VAL 16 2HG1 VAL 16 6.890 1.253 -0.540 94 HG13 VAL 16 3HG1 VAL 16 5.856 1.667 -1.907 95 HG21 VAL 16 1HG2 VAL 16 9.688 0.505 -1.550 96 HG22 VAL 16 2HG2 VAL 16 8.413 -0.684 -1.283 97 HG23 VAL 16 3HG2 VAL 16 9.200 -0.574 -2.857 98 H THR 17 H THR 17 7.661 3.038 -4.955 99 HA THR 17 HA THR 17 10.332 2.520 -6.032 100 HB THR 17 HB THR 17 8.017 3.504 -7.710 101 HG1 THR 17 1HG THR 17 8.962 1.567 -8.959 102 HG21 THR 17 1HG2 THR 17 10.735 4.181 -7.913 103 HG22 THR 17 2HG2 THR 17 9.471 4.445 -9.114 104 HG23 THR 17 3HG2 THR 17 10.441 2.974 -9.164 105 H CYS 18 H CYS 18 11.510 4.069 -5.110 106 HA CYS 18 HA CYS 18 10.449 6.564 -4.257 107 HB2 CYS 18 1HB CYS 18 12.816 7.136 -3.767 108 HB3 CYS 18 2HB CYS 18 12.333 5.584 -3.093 109 HG CYS 18 HG CYS 18 14.194 6.010 -5.936 110 H ARG 19 H ARG 19 9.482 7.239 -6.301 111 HA ARG 19 HA ARG 19 10.716 7.724 -8.686 112 HB2 ARG 19 1HB ARG 19 8.743 9.554 -7.305 113 HB3 ARG 19 2HB ARG 19 9.111 9.556 -9.025 114 HG2 ARG 19 1HG ARG 19 7.961 7.198 -7.552 115 HG3 ARG 19 2HG ARG 19 6.999 8.392 -8.425 116 HD2 ARG 19 1HD ARG 19 9.244 6.935 -9.771 117 HD3 ARG 19 2HD ARG 19 7.650 6.199 -9.621 118 HE ARG 19 HE ARG 19 6.809 7.744 -11.134 119 HH11 ARG 19 1HH1 ARG 19 10.121 8.462 -10.335 120 HH12 ARG 19 2HH1 ARG 19 10.327 9.590 -11.634 121 HH21 ARG 19 1HH2 ARG 19 7.067 9.227 -12.847 122 HH22 ARG 19 2HH2 ARG 19 8.588 10.025 -13.062 123 H SER 20 H SER 20 10.974 9.602 -5.727 124 HA SER 20 HA SER 20 13.417 10.804 -6.624 125 HB2 SER 20 1HB SER 20 11.383 12.194 -7.559 126 HB3 SER 20 2HB SER 20 11.320 12.820 -5.911 127 HG SER 20 HG SER 20 13.131 13.313 -7.907 128 H ALA 21 H ALA 21 13.873 12.742 -4.888 129 HA ALA 21 HA ALA 21 14.342 11.455 -2.460 130 HB1 ALA 21 1HB ALA 21 14.203 14.425 -2.971 131 HB2 ALA 21 2HB ALA 21 14.987 13.640 -1.600 132 HB3 ALA 21 3HB ALA 21 15.614 13.400 -3.231 133 H THR 22 H THR 22 11.741 13.656 -3.413 134 HA THR 22 HA THR 22 10.366 13.009 -0.886 135 HB THR 22 HB THR 22 9.161 15.131 -1.082 136 HG1 THR 22 1HG THR 22 9.258 15.355 -3.367 137 HG21 THR 22 1HG2 THR 22 11.817 14.805 -0.364 138 HG22 THR 22 2HG2 THR 22 10.794 16.189 0.021 139 HG23 THR 22 3HG2 THR 22 11.832 16.229 -1.403 140 H CYS 23 H CYS 23 10.363 11.645 -3.575 141 HA CYS 23 HA CYS 23 7.444 11.643 -3.930 142 HB2 CYS 23 1HB CYS 23 9.432 11.347 -6.188 143 HB3 CYS 23 2HB CYS 23 7.679 11.423 -6.322 144 HG CYS 23 HG CYS 23 7.725 13.923 -6.879 145 H ALA 24 H ALA 24 6.532 9.645 -4.590 146 HA ALA 24 HA ALA 24 8.201 7.303 -4.811 147 HB1 ALA 24 1HB ALA 24 7.202 6.138 -2.882 148 HB2 ALA 24 2HB ALA 24 8.171 7.532 -2.405 149 HB3 ALA 24 3HB ALA 24 6.411 7.642 -2.409 150 H GLN 25 H GLN 25 6.908 5.328 -5.188 151 HA GLN 25 HA GLN 25 4.142 5.812 -5.997 152 HB2 GLN 25 1HB GLN 25 5.703 6.190 -7.961 153 HB3 GLN 25 2HB GLN 25 6.101 4.480 -7.864 154 HG2 GLN 25 1HG GLN 25 3.578 4.082 -8.062 155 HG3 GLN 25 2HG GLN 25 3.496 5.762 -8.593 156 HE21 GLN 25 1HE2 GLN 25 2.614 4.006 -10.335 157 HE22 GLN 25 2HE2 GLN 25 3.738 3.743 -11.621 158 H VAL 26 H VAL 26 2.826 4.023 -5.900 159 HA VAL 26 HA VAL 26 4.090 1.518 -4.992 160 HB VAL 26 HB VAL 26 1.351 2.328 -4.078 161 HG11 VAL 26 1HG1 VAL 26 1.936 0.850 -2.185 162 HG12 VAL 26 2HG1 VAL 26 1.983 0.021 -3.742 163 HG13 VAL 26 3HG1 VAL 26 3.485 0.513 -2.959 164 HG21 VAL 26 1HG2 VAL 26 2.621 4.191 -3.367 165 HG22 VAL 26 2HG2 VAL 26 2.490 3.131 -1.964 166 HG23 VAL 26 3HG2 VAL 26 3.985 3.176 -2.898 167 H ASN 27 H ASN 27 2.906 -0.432 -5.460 168 HA ASN 27 HA ASN 27 0.717 -0.286 -7.351 169 HB2 ASN 27 1HB ASN 27 3.282 -1.675 -8.149 170 HB3 ASN 27 2HB ASN 27 1.820 -1.514 -9.116 171 HD21 ASN 27 1HD2 ASN 27 1.135 0.785 -9.516 172 HD22 ASN 27 2HD2 ASN 27 2.387 1.913 -9.896 173 H TRP 28 H TRP 28 -0.684 -1.819 -6.827 174 HA TRP 28 HA TRP 28 0.336 -4.306 -5.618 175 HB2 TRP 28 1HB TRP 28 -1.799 -4.367 -4.299 176 HB3 TRP 28 2HB TRP 28 -0.714 -3.050 -3.863 177 HD1 TRP 28 HD TRP 28 -4.140 -3.737 -5.360 178 HE1 TRP 28 1HE TRP 28 -5.427 -1.517 -5.560 179 HE3 TRP 28 3HE TRP 28 -0.353 -0.498 -4.217 180 HZ2 TRP 28 2HZ TRP 28 -4.906 1.242 -5.273 181 HZ3 TRP 28 3HZ TRP 28 -0.831 1.917 -4.202 182 HH2 TRP 28 HH TRP 28 -3.061 2.767 -4.721 183 H GLU 29 H GLU 29 -1.712 -5.928 -5.574 184 HA GLU 29 HA GLU 29 -3.107 -5.830 -8.138 185 HB2 GLU 29 1HB GLU 29 -2.441 -8.123 -8.704 186 HB3 GLU 29 2HB GLU 29 -1.051 -7.049 -8.621 187 HG2 GLU 29 1HG GLU 29 -0.455 -7.912 -6.452 188 HG3 GLU 29 2HG GLU 29 -1.907 -8.912 -6.418 189 H VAL 30 H VAL 30 -4.634 -7.789 -8.305 190 HA VAL 30 HA VAL 30 -5.959 -8.084 -5.699 191 HB VAL 30 HB VAL 30 -7.087 -8.462 -8.478 192 HG11 VAL 30 1HG1 VAL 30 -9.180 -8.879 -7.508 193 HG12 VAL 30 2HG1 VAL 30 -8.052 -9.862 -6.571 194 HG13 VAL 30 3HG1 VAL 30 -8.649 -8.336 -5.917 195 HG21 VAL 30 1HG2 VAL 30 -8.290 -6.389 -6.867 196 HG22 VAL 30 2HG2 VAL 30 -6.562 -6.106 -7.084 197 HG23 VAL 30 3HG2 VAL 30 -7.607 -6.297 -8.491 198 HA PRO 31 HA PRO 31 -4.897 -12.366 -5.596 199 HB2 PRO 31 1HB PRO 31 -6.744 -13.176 -3.779 200 HB3 PRO 31 2HB PRO 31 -5.306 -12.249 -3.338 201 HG2 PRO 31 1HG PRO 31 -8.114 -11.303 -3.763 202 HG3 PRO 31 2HG PRO 31 -6.964 -10.855 -2.490 203 HD2 PRO 31 1HD PRO 31 -7.432 -9.289 -4.648 204 HD3 PRO 31 2HD PRO 31 -5.849 -9.364 -3.848 205 H LEU 32 H LEU 32 -6.450 -14.503 -5.290 206 HA LEU 32 HA LEU 32 -8.083 -14.489 -7.715 207 HB2 LEU 32 1HB LEU 32 -6.179 -16.179 -7.101 208 HB3 LEU 32 2HB LEU 32 -7.449 -16.955 -6.158 209 HG LEU 32 HG LEU 32 -7.203 -18.030 -8.318 210 HD11 LEU 32 1HD1 LEU 32 -9.533 -17.313 -7.168 211 HD12 LEU 32 2HD1 LEU 32 -9.414 -18.326 -8.606 212 HD13 LEU 32 3HD1 LEU 32 -9.735 -16.599 -8.768 213 HD21 LEU 32 1HD2 LEU 32 -8.160 -15.585 -9.729 214 HD22 LEU 32 2HD2 LEU 32 -7.258 -16.967 -10.353 215 HD23 LEU 32 3HD2 LEU 32 -6.442 -15.754 -9.365 216 H SER 33 H SER 33 -10.151 -13.996 -7.374 217 HA SER 33 HA SER 33 -11.601 -15.484 -5.304 218 HB2 SER 33 1HB SER 33 -10.961 -12.978 -4.730 219 HB3 SER 33 2HB SER 33 -12.353 -12.626 -5.756 220 HG SER 33 HG SER 33 -13.600 -13.228 -4.187 221 H ASN 34 H ASN 34 -13.598 -16.167 -5.896 222 HA ASN 34 HA ASN 34 -14.490 -15.424 -8.604 223 HB2 ASN 34 1HB ASN 34 -15.386 -17.925 -7.207 224 HB3 ASN 34 2HB ASN 34 -15.285 -17.593 -8.933 225 HD21 ASN 34 1HD2 ASN 34 -12.756 -16.685 -9.231 226 HD22 ASN 34 2HD2 ASN 34 -11.622 -17.920 -8.813 227 H GLY 35 H GLY 35 -15.872 -16.648 -5.543 228 HA2 GLY 35 1HA GLY 35 -18.502 -16.022 -5.903 229 HA3 GLY 35 2HA GLY 35 -17.700 -15.914 -4.344 230 H THR 36 H THR 36 -16.558 -13.857 -3.881 231 HA THR 36 HA THR 36 -18.010 -11.591 -5.083 232 HB THR 36 HB THR 36 -18.618 -11.913 -2.739 233 HG1 THR 36 1HG THR 36 -17.145 -9.659 -3.542 234 HG21 THR 36 1HG2 THR 36 -17.160 -12.419 -1.119 235 HG22 THR 36 2HG2 THR 36 -16.074 -11.109 -1.584 236 HG23 THR 36 3HG2 THR 36 -15.976 -12.668 -2.401 237 H ASP 37 H ASP 37 -16.884 -9.848 -5.796 238 HA ASP 37 HA ASP 37 -13.981 -10.140 -5.929 239 HB2 ASP 37 1HB ASP 37 -15.525 -7.960 -7.298 240 HB3 ASP 37 2HB ASP 37 -14.019 -8.730 -7.790 241 H VAL 38 H VAL 38 -12.586 -8.295 -5.548 242 HA VAL 38 HA VAL 38 -13.046 -7.075 -3.059 243 HB VAL 38 HB VAL 38 -11.050 -6.389 -5.218 244 HG11 VAL 38 1HG1 VAL 38 -9.968 -5.490 -2.882 245 HG12 VAL 38 2HG1 VAL 38 -10.783 -4.477 -4.074 246 HG13 VAL 38 3HG1 VAL 38 -11.670 -5.077 -2.673 247 HG21 VAL 38 1HG2 VAL 38 -10.657 -8.579 -4.391 248 HG22 VAL 38 2HG2 VAL 38 -9.482 -7.525 -3.606 249 HG23 VAL 38 3HG2 VAL 38 -10.908 -8.067 -2.721 250 H THR 39 H THR 39 -14.162 -5.327 -2.511 251 HA THR 39 HA THR 39 -15.477 -3.741 -4.510 252 HB THR 39 HB THR 39 -16.092 -2.381 -2.319 253 HG1 THR 39 1HG THR 39 -14.628 -3.510 -0.968 254 HG21 THR 39 1HG2 THR 39 -17.759 -4.402 -1.849 255 HG22 THR 39 2HG2 THR 39 -17.113 -4.955 -3.395 256 HG23 THR 39 3HG2 THR 39 -17.905 -3.383 -3.280 257 H GLU 40 H GLU 40 -13.060 -3.063 -1.982 258 HA GLU 40 HA GLU 40 -11.855 -1.033 -3.655 259 HB2 GLU 40 1HB GLU 40 -12.309 0.836 -2.402 260 HB3 GLU 40 2HB GLU 40 -13.810 -0.051 -2.180 261 HG2 GLU 40 1HG GLU 40 -12.591 -1.017 -0.084 262 HG3 GLU 40 2HG GLU 40 -11.589 0.423 -0.257 263 H TYR 41 H TYR 41 -9.903 -0.068 -2.546 264 HA TYR 41 HA TYR 41 -8.668 -2.072 -0.771 265 HB2 TYR 41 1HB TYR 41 -7.630 -0.696 -3.207 266 HB3 TYR 41 2HB TYR 41 -6.495 -1.064 -1.912 267 HD1 TYR 41 2HD TYR 41 -6.096 -3.421 -1.254 268 HD2 TYR 41 1HD TYR 41 -8.508 -2.416 -4.611 269 HE1 TYR 41 2HE TYR 41 -5.891 -5.728 -2.084 270 HE2 TYR 41 1HE TYR 41 -8.311 -4.719 -5.451 271 HH TYR 41 HH TYR 41 -7.568 -6.774 -5.032 272 H ARG 42 H ARG 42 -7.574 -1.364 0.995 273 HA ARG 42 HA ARG 42 -7.579 1.545 1.465 274 HB2 ARG 42 1HB ARG 42 -8.109 -0.785 3.266 275 HB3 ARG 42 2HB ARG 42 -7.447 0.694 3.949 276 HG2 ARG 42 1HG ARG 42 -9.397 1.878 2.783 277 HG3 ARG 42 2HG ARG 42 -10.093 0.265 2.616 278 HD2 ARG 42 1HD ARG 42 -9.217 1.499 5.223 279 HD3 ARG 42 2HD ARG 42 -10.876 1.482 4.631 280 HE ARG 42 HE ARG 42 -9.728 -1.132 4.744 281 HH11 ARG 42 1HH1 ARG 42 -11.262 1.357 6.632 282 HH12 ARG 42 2HH1 ARG 42 -11.872 0.258 7.825 283 HH21 ARG 42 1HH2 ARG 42 -10.527 -2.589 6.307 284 HH22 ARG 42 2HH2 ARG 42 -11.452 -1.986 7.639 285 H LEU 43 H LEU 43 -5.558 2.161 0.901 286 HA LEU 43 HA LEU 43 -3.268 0.600 1.817 287 HB2 LEU 43 1HB LEU 43 -3.172 1.288 -0.468 288 HB3 LEU 43 2HB LEU 43 -3.525 2.959 -0.034 289 HG LEU 43 HG LEU 43 -1.283 2.872 1.240 290 HD11 LEU 43 1HD1 LEU 43 -1.256 0.290 0.775 291 HD12 LEU 43 2HD1 LEU 43 0.238 1.226 0.777 292 HD13 LEU 43 3HD1 LEU 43 -0.528 0.792 -0.751 293 HD21 LEU 43 1HD2 LEU 43 -0.588 2.703 -1.584 294 HD22 LEU 43 2HD2 LEU 43 -0.486 4.067 -0.470 295 HD23 LEU 43 3HD2 LEU 43 -2.010 3.700 -1.280 296 H GLU 44 H GLU 44 -2.073 1.141 3.524 297 HA GLU 44 HA GLU 44 -2.527 3.783 4.744 298 HB2 GLU 44 1HB GLU 44 -1.708 1.174 6.034 299 HB3 GLU 44 2HB GLU 44 -1.812 2.714 6.876 300 HG2 GLU 44 1HG GLU 44 -3.799 1.580 7.376 301 HG3 GLU 44 2HG GLU 44 -4.235 2.792 6.173 302 H TRP 45 H TRP 45 -0.879 5.154 4.780 303 HA TRP 45 HA TRP 45 1.860 4.104 4.754 304 HB2 TRP 45 1HB TRP 45 1.357 4.665 2.442 305 HB3 TRP 45 2HB TRP 45 0.797 6.264 2.923 306 HD1 TRP 45 HD TRP 45 2.950 7.613 4.427 307 HE1 TRP 45 1HE TRP 45 5.352 7.931 3.559 308 HE3 TRP 45 3HE TRP 45 3.048 3.886 0.929 309 HZ2 TRP 45 2HZ TRP 45 7.061 6.757 1.644 310 HZ3 TRP 45 3HZ TRP 45 5.105 3.549 -0.379 311 HH2 TRP 45 HH TRP 45 7.069 4.956 -0.028 312 H GLY 46 H GLY 46 2.928 4.907 6.433 313 HA2 GLY 46 1HA GLY 46 2.492 7.716 7.176 314 HA3 GLY 46 2HA GLY 46 2.329 6.476 8.411 315 H GLY 47 H GLY 47 4.118 8.425 8.872 316 HA2 GLY 47 1HA GLY 47 6.680 8.293 7.927 317 HA3 GLY 47 2HA GLY 47 6.291 8.635 9.606 318 H VAL 48 H VAL 48 5.656 6.527 10.853 319 HA VAL 48 HA VAL 48 7.656 4.469 10.174 320 HB VAL 48 HB VAL 48 8.139 5.887 12.227 321 HG11 VAL 48 1HG1 VAL 48 5.586 5.610 12.871 322 HG12 VAL 48 2HG1 VAL 48 6.209 4.197 13.724 323 HG13 VAL 48 3HG1 VAL 48 6.838 5.803 14.098 324 HG21 VAL 48 1HG2 VAL 48 9.055 4.057 13.426 325 HG22 VAL 48 2HG2 VAL 48 7.836 2.946 12.799 326 HG23 VAL 48 3HG2 VAL 48 9.073 3.598 11.723 327 H GLU 49 H GLU 49 7.173 2.293 10.928 328 HA GLU 49 HA GLU 49 4.762 1.300 10.107 329 HB2 GLU 49 1HB GLU 49 6.369 -0.334 10.396 330 HB3 GLU 49 2HB GLU 49 6.855 0.274 11.973 331 HG2 GLU 49 1HG GLU 49 5.128 -0.795 13.068 332 HG3 GLU 49 2HG GLU 49 4.146 -0.924 11.608 333 H GLY 50 H GLY 50 5.646 2.356 13.366 334 HA2 GLY 50 1HA GLY 50 3.299 1.518 14.675 335 HA3 GLY 50 2HA GLY 50 4.370 2.799 15.222 336 H SER 51 H SER 51 4.037 4.436 12.858 337 HA SER 51 HA SER 51 1.323 5.428 13.414 338 HB2 SER 51 1HB SER 51 2.811 7.138 14.011 339 HB3 SER 51 2HB SER 51 3.882 6.811 12.650 340 HG SER 51 HG SER 51 2.273 7.647 11.271 341 H MET 52 H MET 52 -0.084 4.842 11.901 342 HA MET 52 HA MET 52 0.477 5.442 9.125 343 HB2 MET 52 1HB MET 52 -0.217 2.632 9.996 344 HB3 MET 52 2HB MET 52 -0.151 3.190 8.330 345 HG2 MET 52 1HG MET 52 2.234 3.677 8.598 346 HG3 MET 52 2HG MET 52 2.158 3.084 10.256 347 HE1 MET 52 1HE MET 52 2.537 2.318 6.579 348 HE2 MET 52 2HE MET 52 2.134 0.611 6.402 349 HE3 MET 52 3HE MET 52 0.856 1.795 6.678 350 H GLN 53 H GLN 53 -1.362 5.801 7.912 351 HA GLN 53 HA GLN 53 -3.966 5.185 9.051 352 HB2 GLN 53 1HB GLN 53 -4.763 7.472 8.972 353 HB3 GLN 53 2HB GLN 53 -3.360 7.373 10.027 354 HG2 GLN 53 1HG GLN 53 -1.952 8.340 8.355 355 HG3 GLN 53 2HG GLN 53 -3.247 8.275 7.162 356 HE21 GLN 53 1HE2 GLN 53 -4.708 9.889 7.071 357 HE22 GLN 53 2HE2 GLN 53 -4.696 11.273 8.105 358 H ILE 54 H ILE 54 -5.746 5.900 7.522 359 HA ILE 54 HA ILE 54 -5.279 4.813 4.975 360 HB ILE 54 HB ILE 54 -7.560 6.630 5.755 361 HG12 ILE 54 1HG1 ILE 54 -7.207 4.692 7.315 362 HG13 ILE 54 2HG1 ILE 54 -8.757 4.679 6.479 363 HG21 ILE 54 1HG2 ILE 54 -6.961 4.926 3.423 364 HG22 ILE 54 2HG2 ILE 54 -8.609 4.851 4.043 365 HG23 ILE 54 3HG2 ILE 54 -7.928 6.396 3.538 366 HD11 ILE 54 1HD1 ILE 54 -7.822 2.460 6.545 367 HD12 ILE 54 2HD1 ILE 54 -7.851 3.047 4.882 368 HD13 ILE 54 3HD1 ILE 54 -6.337 3.032 5.786 369 H CYS 55 H CYS 55 -3.872 5.743 3.613 370 HA CYS 55 HA CYS 55 -3.862 8.644 3.289 371 HB2 CYS 55 1HB CYS 55 -1.984 6.432 2.621 372 HB3 CYS 55 2HB CYS 55 -1.940 7.870 1.608 373 HG CYS 55 HG CYS 55 0.104 8.124 3.456 374 H TYR 56 H TYR 56 -4.626 5.710 1.527 375 HA TYR 56 HA TYR 56 -5.979 7.333 -0.495 376 HB2 TYR 56 1HB TYR 56 -4.014 6.917 -1.691 377 HB3 TYR 56 2HB TYR 56 -3.825 5.306 -1.010 378 HD1 TYR 56 2HD TYR 56 -5.275 3.450 -1.820 379 HD2 TYR 56 1HD TYR 56 -5.277 7.279 -3.676 380 HE1 TYR 56 2HE TYR 56 -6.349 2.479 -3.810 381 HE2 TYR 56 1HE TYR 56 -6.352 6.319 -5.669 382 HH TYR 56 HH TYR 56 -7.183 2.867 -5.825 383 H CYS 57 H CYS 57 -7.884 6.502 -1.171 384 HA CYS 57 HA CYS 57 -8.520 3.718 -0.501 385 HB2 CYS 57 1HB CYS 57 -9.409 5.094 1.321 386 HB3 CYS 57 2HB CYS 57 -10.265 6.099 0.159 387 HG CYS 57 HG CYS 57 -12.193 4.545 1.340 388 H GLY 58 H GLY 58 -9.300 2.688 -2.214 389 HA2 GLY 58 1HA GLY 58 -11.380 3.424 -3.839 390 HA3 GLY 58 2HA GLY 58 -9.959 4.106 -4.616 391 HA PRO 59 HA PRO 59 -10.640 -0.504 -5.632 392 HB2 PRO 59 1HB PRO 59 -11.700 -0.226 -8.115 393 HB3 PRO 59 2HB PRO 59 -12.689 -0.322 -6.654 394 HG2 PRO 59 1HG PRO 59 -11.843 2.089 -8.214 395 HG3 PRO 59 2HG PRO 59 -13.426 1.711 -7.510 396 HD2 PRO 59 1HD PRO 59 -11.672 3.401 -6.327 397 HD3 PRO 59 2HD PRO 59 -12.787 2.378 -5.398 398 H GLY 60 H GLY 60 -8.992 2.201 -6.677 399 HA2 GLY 60 1HA GLY 60 -7.769 1.445 -9.059 400 HA3 GLY 60 2HA GLY 60 -7.039 2.485 -7.845 401 H LEU 61 H LEU 61 -5.638 0.630 -9.479 402 HA LEU 61 HA LEU 61 -4.846 -1.432 -7.536 403 HB2 LEU 61 1HB LEU 61 -4.510 -1.269 -10.522 404 HB3 LEU 61 2HB LEU 61 -3.713 -2.483 -9.525 405 HG LEU 61 HG LEU 61 -6.705 -2.163 -9.687 406 HD11 LEU 61 1HD1 LEU 61 -4.835 -3.367 -11.557 407 HD12 LEU 61 2HD1 LEU 61 -6.552 -3.012 -11.741 408 HD13 LEU 61 3HD1 LEU 61 -6.040 -4.510 -10.964 409 HD21 LEU 61 1HD2 LEU 61 -6.859 -4.105 -8.457 410 HD22 LEU 61 2HD2 LEU 61 -5.459 -3.328 -7.717 411 HD23 LEU 61 3HD2 LEU 61 -5.231 -4.632 -8.885 412 H SER 62 H SER 62 -3.869 1.469 -9.016 413 HA SER 62 HA SER 62 -1.211 1.194 -7.812 414 HB2 SER 62 1HB SER 62 -1.771 2.083 -10.647 415 HB3 SER 62 2HB SER 62 -0.240 2.376 -9.824 416 HG SER 62 HG SER 62 -1.422 -0.145 -10.374 417 H TYR 63 H TYR 63 -0.459 3.010 -6.840 418 HA TYR 63 HA TYR 63 -1.781 5.563 -7.338 419 HB2 TYR 63 1HB TYR 63 -3.107 4.613 -5.541 420 HB3 TYR 63 2HB TYR 63 -1.653 4.252 -4.615 421 HD1 TYR 63 1HD TYR 63 -3.684 7.044 -5.981 422 HD2 TYR 63 2HD TYR 63 -0.724 5.854 -3.165 423 HE1 TYR 63 1HE TYR 63 -3.837 9.247 -4.897 424 HE2 TYR 63 2HE TYR 63 -0.868 8.054 -2.075 425 HH TYR 63 HH TYR 63 -3.363 10.289 -2.769 426 H GLU 64 H GLU 64 -0.518 7.344 -6.901 427 HA GLU 64 HA GLU 64 2.281 6.755 -6.226 428 HB2 GLU 64 1HB GLU 64 2.950 8.381 -7.684 429 HB3 GLU 64 2HB GLU 64 1.431 7.935 -8.447 430 HG2 GLU 64 1HG GLU 64 0.516 9.832 -6.826 431 HG3 GLU 64 2HG GLU 64 2.176 10.401 -6.996 432 H ILE 65 H ILE 65 3.418 8.077 -4.778 433 HA ILE 65 HA ILE 65 1.743 9.806 -3.078 434 HB ILE 65 HB ILE 65 3.771 7.747 -2.247 435 HG12 ILE 65 1HG1 ILE 65 1.038 8.328 -1.109 436 HG13 ILE 65 2HG1 ILE 65 1.278 7.245 -2.477 437 HG21 ILE 65 1HG2 ILE 65 2.780 10.111 -0.668 438 HG22 ILE 65 2HG2 ILE 65 3.542 8.697 0.059 439 HG23 ILE 65 3HG2 ILE 65 4.448 9.703 -1.070 440 HD11 ILE 65 1HD1 ILE 65 1.119 6.284 -0.081 441 HD12 ILE 65 2HD1 ILE 65 2.333 5.652 -1.193 442 HD13 ILE 65 3HD1 ILE 65 2.796 6.810 0.053 443 H LYS 66 H LYS 66 2.580 11.740 -2.496 444 HA LYS 66 HA LYS 66 5.403 12.284 -3.088 445 HB2 LYS 66 1HB LYS 66 3.045 13.928 -4.013 446 HB3 LYS 66 2HB LYS 66 4.703 14.514 -4.024 447 HG2 LYS 66 1HG LYS 66 5.347 12.828 -5.605 448 HG3 LYS 66 2HG LYS 66 3.756 12.068 -5.503 449 HD2 LYS 66 1HD LYS 66 3.483 13.302 -7.411 450 HD3 LYS 66 2HD LYS 66 2.945 14.479 -6.210 451 HE2 LYS 66 1HE LYS 66 5.398 15.248 -6.173 452 HE3 LYS 66 2HE LYS 66 5.559 14.343 -7.677 453 HZ1 LYS 66 1HZ LYS 66 3.271 15.914 -7.890 454 HZ2 LYS 66 2HZ LYS 66 4.724 16.078 -8.740 455 HZ3 LYS 66 3HZ LYS 66 4.494 16.915 -7.287 456 H GLY 67 H GLY 67 5.932 14.618 -2.255 457 HA2 GLY 67 1HA GLY 67 5.943 16.158 -0.527 458 HA3 GLY 67 2HA GLY 67 4.400 15.513 0.008 459 H LEU 68 H LEU 68 7.354 13.651 -0.453 460 HA LEU 68 HA LEU 68 7.268 12.960 2.397 461 HB2 LEU 68 1HB LEU 68 8.856 11.561 0.266 462 HB3 LEU 68 2HB LEU 68 8.409 10.961 1.861 463 HG LEU 68 HG LEU 68 6.418 11.484 -0.339 464 HD11 LEU 68 1HD1 LEU 68 6.606 8.757 0.002 465 HD12 LEU 68 2HD1 LEU 68 8.286 9.291 0.019 466 HD13 LEU 68 3HD1 LEU 68 7.250 9.685 -1.353 467 HD21 LEU 68 1HD2 LEU 68 5.763 11.403 2.151 468 HD22 LEU 68 2HD2 LEU 68 6.094 9.675 2.027 469 HD23 LEU 68 3HD2 LEU 68 4.856 10.412 1.008 470 H SER 69 H SER 69 9.453 12.481 3.389 471 HA SER 69 HA SER 69 11.296 14.659 2.678 472 HB2 SER 69 1HB SER 69 10.695 13.273 5.284 473 HB3 SER 69 2HB SER 69 12.164 14.224 5.066 474 HG SER 69 HG SER 69 9.496 15.143 4.751 475 HA PRO 70 HA PRO 70 14.360 11.755 1.436 476 HB2 PRO 70 1HB PRO 70 16.575 13.282 1.802 477 HB3 PRO 70 2HB PRO 70 15.441 13.537 0.470 478 HG2 PRO 70 1HG PRO 70 15.655 14.989 3.079 479 HG3 PRO 70 2HG PRO 70 15.394 15.645 1.452 480 HD2 PRO 70 1HD PRO 70 13.379 15.307 3.230 481 HD3 PRO 70 2HD PRO 70 13.144 15.145 1.477 482 H ALA 71 H ALA 71 15.901 10.347 2.273 483 HA ALA 71 HA ALA 71 16.877 9.054 3.874 484 HB1 ALA 71 1HB ALA 71 17.376 11.636 5.340 485 HB2 ALA 71 2HB ALA 71 18.320 10.148 5.411 486 HB3 ALA 71 3HB ALA 71 18.312 11.117 3.938 487 H THR 72 H THR 72 14.261 8.860 4.135 488 HA THR 72 HA THR 72 13.883 8.709 7.028 489 HB THR 72 HB THR 72 11.839 9.966 5.185 490 HG1 THR 72 1HG THR 72 13.661 10.994 7.082 491 HG21 THR 72 1HG2 THR 72 10.909 10.451 7.648 492 HG22 THR 72 2HG2 THR 72 11.715 8.913 7.953 493 HG23 THR 72 3HG2 THR 72 10.455 9.020 6.724 494 H THR 73 H THR 73 13.019 6.823 7.624 495 HA THR 73 HA THR 73 12.381 4.852 5.653 496 HB THR 73 HB THR 73 11.851 4.603 8.611 497 HG1 THR 73 1HG THR 73 14.277 4.600 7.184 498 HG21 THR 73 1HG2 THR 73 11.194 2.876 6.707 499 HG22 THR 73 2HG2 THR 73 11.799 2.340 8.274 500 HG23 THR 73 3HG2 THR 73 12.885 2.411 6.887 501 H TYR 74 H TYR 74 10.425 4.004 5.080 502 HA TYR 74 HA TYR 74 8.016 5.085 6.355 503 HB2 TYR 74 1HB TYR 74 8.690 5.181 3.421 504 HB3 TYR 74 2HB TYR 74 7.027 5.249 3.991 505 HD1 TYR 74 1HD TYR 74 6.324 7.148 5.476 506 HD2 TYR 74 2HD TYR 74 10.085 7.091 3.488 507 HE1 TYR 74 1HE TYR 74 6.537 9.574 5.822 508 HE2 TYR 74 2HE TYR 74 10.309 9.516 3.829 509 HH TYR 74 HH TYR 74 8.931 11.217 5.906 510 H TYR 75 H TYR 75 6.056 3.851 5.808 511 HA TYR 75 HA TYR 75 6.577 1.115 4.893 512 HB2 TYR 75 1HB TYR 75 5.047 1.759 7.421 513 HB3 TYR 75 2HB TYR 75 5.369 0.157 6.769 514 HD1 TYR 75 1HD TYR 75 6.902 3.103 8.378 515 HD2 TYR 75 2HD TYR 75 7.458 -0.932 7.149 516 HE1 TYR 75 1HE TYR 75 8.981 2.998 9.688 517 HE2 TYR 75 2HE TYR 75 9.539 -1.050 8.456 518 HH TYR 75 HH TYR 75 10.357 0.576 10.763 519 H CYS 76 H CYS 76 4.834 0.084 3.937 520 HA CYS 76 HA CYS 76 2.299 1.536 3.777 521 HB2 CYS 76 1HB CYS 76 2.224 1.564 1.419 522 HB3 CYS 76 2HB CYS 76 3.842 2.125 1.825 523 HG CYS 76 HG CYS 76 5.088 -0.299 1.242 524 H ARG 77 H ARG 77 0.561 0.237 3.822 525 HA ARG 77 HA ARG 77 0.922 -2.617 3.230 526 HB2 ARG 77 1HB ARG 77 -0.405 -3.220 5.198 527 HB3 ARG 77 2HB ARG 77 1.052 -2.350 5.660 528 HG2 ARG 77 1HG ARG 77 -0.306 -0.285 5.863 529 HG3 ARG 77 2HG ARG 77 -1.747 -1.251 5.538 530 HD2 ARG 77 1HD ARG 77 -1.266 -2.622 7.510 531 HD3 ARG 77 2HD ARG 77 0.169 -1.651 7.833 532 HE ARG 77 HE ARG 77 -1.943 0.120 7.724 533 HH11 ARG 77 1HH1 ARG 77 -1.041 -2.649 9.632 534 HH12 ARG 77 2HH1 ARG 77 -1.863 -2.100 11.055 535 HH21 ARG 77 1HH2 ARG 77 -3.029 0.853 9.591 536 HH22 ARG 77 2HH2 ARG 77 -2.994 -0.108 11.030 537 H VAL 78 H VAL 78 -0.618 -3.434 1.959 538 HA VAL 78 HA VAL 78 -3.067 -1.842 1.563 539 HB VAL 78 HB VAL 78 -1.651 -1.945 -0.438 540 HG11 VAL 78 1HG1 VAL 78 -1.289 -4.065 -1.600 541 HG12 VAL 78 2HG1 VAL 78 -0.547 -4.077 0.001 542 HG13 VAL 78 3HG1 VAL 78 -2.068 -4.927 -0.273 543 HG21 VAL 78 1HG2 VAL 78 -3.714 -1.710 -1.294 544 HG22 VAL 78 2HG2 VAL 78 -3.518 -3.390 -1.795 545 HG23 VAL 78 3HG2 VAL 78 -4.380 -3.009 -0.304 546 H GLN 79 H GLN 79 -5.033 -2.821 1.675 547 HA GLN 79 HA GLN 79 -5.085 -5.720 2.168 548 HB2 GLN 79 1HB GLN 79 -6.356 -5.530 4.076 549 HB3 GLN 79 2HB GLN 79 -5.351 -4.094 4.221 550 HG2 GLN 79 1HG GLN 79 -7.207 -2.800 3.149 551 HG3 GLN 79 2HG GLN 79 -8.203 -4.247 3.287 552 HE21 GLN 79 1HE2 GLN 79 -7.756 -5.235 5.675 553 HE22 GLN 79 2HE2 GLN 79 -8.114 -4.100 6.927 554 H ALA 80 H ALA 80 -7.019 -6.795 1.580 555 HA ALA 80 HA ALA 80 -8.527 -5.372 -0.496 556 HB1 ALA 80 1HB ALA 80 -8.174 -8.319 0.028 557 HB2 ALA 80 2HB ALA 80 -9.199 -7.646 -1.240 558 HB3 ALA 80 3HB ALA 80 -7.457 -7.375 -1.278 559 H LEU 81 H LEU 81 -10.548 -4.754 -0.126 560 HA LEU 81 HA LEU 81 -11.965 -5.890 2.182 561 HB2 LEU 81 1HB LEU 81 -12.220 -3.280 0.718 562 HB3 LEU 81 2HB LEU 81 -13.452 -3.848 1.843 563 HG LEU 81 HG LEU 81 -11.344 -4.018 3.458 564 HD11 LEU 81 1HD1 LEU 81 -9.745 -3.301 1.754 565 HD12 LEU 81 2HD1 LEU 81 -9.820 -2.156 3.092 566 HD13 LEU 81 3HD1 LEU 81 -10.622 -1.783 1.567 567 HD21 LEU 81 1HD2 LEU 81 -12.727 -2.618 4.487 568 HD22 LEU 81 2HD2 LEU 81 -13.431 -2.104 2.953 569 HD23 LEU 81 3HD2 LEU 81 -11.991 -1.299 3.576 570 H SER 82 H SER 82 -13.997 -6.752 1.996 571 HA SER 82 HA SER 82 -15.175 -6.882 -0.694 572 HB2 SER 82 1HB SER 82 -15.837 -9.318 0.086 573 HB3 SER 82 2HB SER 82 -14.270 -9.009 -0.661 574 HG SER 82 HG SER 82 -14.704 -10.079 1.677 575 H VAL 83 H VAL 83 -17.405 -8.278 -0.277 576 HA VAL 83 HA VAL 83 -18.923 -6.534 1.494 577 HB VAL 83 HB VAL 83 -20.858 -7.992 0.440 578 HG11 VAL 83 1HG1 VAL 83 -19.374 -5.950 -1.208 579 HG12 VAL 83 2HG1 VAL 83 -21.090 -6.352 -1.304 580 HG13 VAL 83 3HG1 VAL 83 -20.446 -5.562 0.136 581 HG21 VAL 83 1HG2 VAL 83 -18.976 -8.134 -1.863 582 HG22 VAL 83 2HG2 VAL 83 -18.920 -9.407 -0.644 583 HG23 VAL 83 3HG2 VAL 83 -20.417 -9.093 -1.523 584 H VAL 84 H VAL 84 -17.506 -9.591 1.592 585 HA VAL 84 HA VAL 84 -19.421 -10.617 3.561 586 HB VAL 84 HB VAL 84 -18.622 -12.085 1.669 587 HG11 VAL 84 1HG1 VAL 84 -16.074 -11.321 2.778 588 HG12 VAL 84 2HG1 VAL 84 -16.251 -13.076 2.756 589 HG13 VAL 84 3HG1 VAL 84 -16.436 -12.151 1.265 590 HG21 VAL 84 1HG2 VAL 84 -18.073 -13.037 4.479 591 HG22 VAL 84 2HG2 VAL 84 -19.649 -12.998 3.689 592 HG23 VAL 84 3HG2 VAL 84 -18.385 -14.067 3.082 593 H GLY 85 H GLY 85 -16.487 -8.961 3.389 594 HA2 GLY 85 1HA GLY 85 -16.137 -8.636 6.102 595 HA3 GLY 85 2HA GLY 85 -15.197 -10.063 5.689 596 H ALA 86 H ALA 86 -13.384 -8.742 6.453 597 HA ALA 86 HA ALA 86 -12.368 -7.022 4.288 598 HB1 ALA 86 1HB ALA 86 -12.906 -6.275 6.981 599 HB2 ALA 86 2HB ALA 86 -11.163 -6.217 6.718 600 HB3 ALA 86 3HB ALA 86 -12.243 -5.295 5.673 601 H GLY 87 H GLY 87 -10.947 -8.394 3.342 602 HA2 GLY 87 1HA GLY 87 -9.489 -10.441 4.390 603 HA3 GLY 87 2HA GLY 87 -8.906 -9.433 3.075 604 HA PRO 88 HA PRO 88 -6.350 -8.981 7.073 605 HB2 PRO 88 1HB PRO 88 -4.206 -10.484 6.356 606 HB3 PRO 88 2HB PRO 88 -5.596 -11.146 7.225 607 HG2 PRO 88 1HG PRO 88 -4.956 -11.266 4.303 608 HG3 PRO 88 2HG PRO 88 -5.577 -12.543 5.365 609 HD2 PRO 88 1HD PRO 88 -7.173 -11.140 3.688 610 HD3 PRO 88 2HD PRO 88 -7.742 -11.759 5.252 611 H PHE 89 H PHE 89 -3.843 -8.403 6.995 612 HA PHE 89 HA PHE 89 -3.574 -6.434 4.841 613 HB2 PHE 89 1HB PHE 89 -2.557 -6.610 7.645 614 HB3 PHE 89 2HB PHE 89 -1.639 -5.671 6.473 615 HD1 PHE 89 2HD PHE 89 -3.061 -3.964 5.070 616 HD2 PHE 89 1HD PHE 89 -4.223 -5.570 8.837 617 HE1 PHE 89 2HE PHE 89 -4.573 -2.053 5.415 618 HE2 PHE 89 1HE PHE 89 -5.737 -3.663 9.186 619 HZ PHE 89 HZ PHE 89 -5.913 -1.902 7.475 620 H SER 90 H SER 90 -1.881 -6.419 3.448 621 HA SER 90 HA SER 90 -0.461 -8.821 3.007 622 HB2 SER 90 1HB SER 90 0.737 -7.547 1.260 623 HB3 SER 90 2HB SER 90 -1.005 -7.290 1.177 624 HG SER 90 HG SER 90 1.014 -5.541 2.064 625 H GLU 91 H GLU 91 2.079 -8.447 2.503 626 HA GLU 91 HA GLU 91 3.276 -8.241 5.087 627 HB2 GLU 91 1HB GLU 91 4.477 -8.593 2.337 628 HB3 GLU 91 2HB GLU 91 5.410 -8.636 3.827 629 HG2 GLU 91 1HG GLU 91 4.454 -10.634 4.519 630 HG3 GLU 91 2HG GLU 91 3.073 -10.459 3.438 631 H VAL 92 H VAL 92 3.709 -6.375 6.047 632 HA VAL 92 HA VAL 92 3.643 -3.852 5.018 633 HB VAL 92 HB VAL 92 5.414 -4.869 7.243 634 HG11 VAL 92 1HG1 VAL 92 5.371 -2.307 5.972 635 HG12 VAL 92 2HG1 VAL 92 4.776 -2.152 7.626 636 HG13 VAL 92 3HG1 VAL 92 6.362 -2.863 7.321 637 HG21 VAL 92 1HG2 VAL 92 3.155 -5.246 7.808 638 HG22 VAL 92 2HG2 VAL 92 3.607 -3.756 8.636 639 HG23 VAL 92 3HG2 VAL 92 2.650 -3.687 7.157 640 H VAL 93 H VAL 93 4.661 -3.114 3.271 641 HA VAL 93 HA VAL 93 7.415 -3.943 2.734 642 HB VAL 93 HB VAL 93 5.558 -2.326 0.982 643 HG11 VAL 93 1HG1 VAL 93 7.129 -2.471 -0.698 644 HG12 VAL 93 2HG1 VAL 93 8.156 -2.282 0.724 645 HG13 VAL 93 3HG1 VAL 93 7.917 -3.879 0.014 646 HG21 VAL 93 1HG2 VAL 93 5.914 -5.250 1.358 647 HG22 VAL 93 2HG2 VAL 93 4.466 -4.329 0.954 648 HG23 VAL 93 3HG2 VAL 93 5.679 -4.654 -0.285 649 H ALA 94 H ALA 94 8.806 -2.733 3.893 650 HA ALA 94 HA ALA 94 8.369 0.092 4.314 651 HB1 ALA 94 1HB ALA 94 10.231 0.034 5.749 652 HB2 ALA 94 2HB ALA 94 9.410 -1.508 5.992 653 HB3 ALA 94 3HB ALA 94 10.866 -1.431 5.001 654 H CYS 95 H CYS 95 10.024 1.703 3.780 655 HA CYS 95 HA CYS 95 11.917 1.121 1.699 656 HB2 CYS 95 1HB CYS 95 10.950 2.398 -0.063 657 HB3 CYS 95 2HB CYS 95 9.694 1.303 0.502 658 HG CYS 95 HG CYS 95 7.949 3.155 0.755 659 H VAL 96 H VAL 96 13.472 2.692 1.503 660 HA VAL 96 HA VAL 96 13.181 5.013 3.297 661 HB VAL 96 HB VAL 96 15.781 3.714 2.486 662 HG11 VAL 96 1HG1 VAL 96 16.179 5.943 3.125 663 HG12 VAL 96 2HG1 VAL 96 15.032 5.851 4.463 664 HG13 VAL 96 3HG1 VAL 96 16.562 4.976 4.549 665 HG21 VAL 96 1HG2 VAL 96 13.818 2.837 4.394 666 HG22 VAL 96 2HG2 VAL 96 15.339 2.077 3.926 667 HG23 VAL 96 3HG2 VAL 96 15.315 3.281 5.214 668 H THR 97 H THR 97 13.584 7.014 2.521 669 HA THR 97 HA THR 97 13.967 7.272 -0.352 670 HB THR 97 HB THR 97 13.416 9.647 -0.021 671 HG1 THR 97 1HG THR 97 12.560 9.980 2.303 672 HG21 THR 97 1HG2 THR 97 11.593 7.556 1.124 673 HG22 THR 97 2HG2 THR 97 11.509 8.367 -0.441 674 HG23 THR 97 3HG2 THR 97 11.092 9.244 1.031 675 HA PRO 98 HA PRO 98 18.208 8.418 -0.174 676 HB2 PRO 98 1HB PRO 98 18.357 10.012 -2.366 677 HB3 PRO 98 2HB PRO 98 18.205 8.254 -2.465 678 HG2 PRO 98 1HG PRO 98 16.094 10.357 -2.744 679 HG3 PRO 98 2HG PRO 98 16.349 8.892 -3.711 680 HD2 PRO 98 1HD PRO 98 14.479 9.041 -1.757 681 HD3 PRO 98 2HD PRO 98 15.332 7.534 -2.152 682 HA PRO 99 HA PRO 99 18.495 12.291 1.917 683 HB2 PRO 99 1HB PRO 99 21.160 12.739 1.656 684 HB3 PRO 99 2HB PRO 99 20.493 11.524 2.754 685 HG2 PRO 99 1HG PRO 99 21.654 11.170 0.018 686 HG3 PRO 99 2HG PRO 99 21.896 10.185 1.472 687 HD2 PRO 99 1HD PRO 99 20.199 9.463 -0.511 688 HD3 PRO 99 2HD PRO 99 19.905 9.057 1.192 689 H SER 100 H SER 100 18.108 14.333 1.330 690 HA SER 100 HA SER 100 18.688 15.131 -1.421 691 HB2 SER 100 1HB SER 100 16.381 15.404 -0.533 692 HB3 SER 100 2HB SER 100 17.003 16.540 0.665 693 HG SER 100 HG SER 100 17.005 18.030 -0.807 694 H SER 101 H SER 101 18.964 16.514 1.853 695 HA SER 101 HA SER 101 20.724 18.602 0.962 696 HB2 SER 101 1HB SER 101 20.700 19.376 3.196 697 HB3 SER 101 2HB SER 101 19.089 18.704 2.939 698 HG SER 101 HG SER 101 20.107 18.044 4.930 699 H GLY 102 H GLY 102 22.888 18.617 0.904 700 HA2 GLY 102 1HA GLY 102 24.366 16.547 2.374 701 HA3 GLY 102 2HA GLY 102 24.602 16.679 0.637 702 HA PRO 103 HA PRO 103 27.464 19.557 3.101 703 HB2 PRO 103 1HB PRO 103 29.784 18.211 2.687 704 HB3 PRO 103 2HB PRO 103 28.739 17.918 4.082 705 HG2 PRO 103 1HG PRO 103 28.962 16.378 1.523 706 HG3 PRO 103 2HG PRO 103 28.832 15.774 3.185 707 HD2 PRO 103 1HD PRO 103 26.717 15.861 1.496 708 HD3 PRO 103 2HD PRO 103 26.548 16.078 3.250 709 H SER 104 H SER 104 27.475 17.965 0.011 710 HA SER 104 HA SER 104 29.474 19.565 -1.226 711 HB2 SER 104 1HB SER 104 27.331 17.716 -2.227 712 HB3 SER 104 2HB SER 104 28.219 18.731 -3.364 713 HG SER 104 HG SER 104 29.218 16.698 -3.097 714 H SER 105 H SER 105 29.315 21.417 -2.411 715 HA SER 105 HA SER 105 27.320 23.268 -1.785 716 HB2 SER 105 1HB SER 105 29.693 23.677 -2.704 717 HB3 SER 105 2HB SER 105 28.976 23.439 -4.297 718 HG SER 105 HG SER 105 27.692 25.203 -2.566 719 H GLY 106 H GLY 106 25.373 23.723 -2.614 720 HA2 GLY 106 1HA GLY 106 24.641 22.467 -5.185 721 HA3 GLY 106 2HA GLY 106 23.567 22.401 -3.795 Start of MODEL 16 1 H1 GLY 1 H GLY 1 -1.439 -24.145 7.569 2 HA2 GLY 1 1HA GLY 1 -0.662 -22.842 5.231 3 HA3 GLY 1 2HA GLY 1 -2.236 -23.579 5.493 4 H SER 2 H SER 2 -3.942 -22.277 5.435 5 HA SER 2 HA SER 2 -3.528 -19.409 5.968 6 HB2 SER 2 1HB SER 2 -5.151 -18.896 4.189 7 HB3 SER 2 2HB SER 2 -3.765 -19.781 3.551 8 HG SER 2 HG SER 2 -6.206 -20.420 3.169 9 H SER 3 H SER 3 -4.848 -18.552 7.435 10 HA SER 3 HA SER 3 -7.103 -20.178 8.381 11 HB2 SER 3 1HB SER 3 -5.228 -19.397 9.955 12 HB3 SER 3 2HB SER 3 -5.941 -17.790 9.809 13 HG SER 3 HG SER 3 -6.683 -19.723 11.424 14 H GLY 4 H GLY 4 -9.141 -19.232 8.779 15 HA2 GLY 4 1HA GLY 4 -10.406 -17.061 8.777 16 HA3 GLY 4 2HA GLY 4 -9.601 -16.747 7.246 17 H SER 5 H SER 5 -12.498 -17.269 8.254 18 HA SER 5 HA SER 5 -13.193 -19.373 6.321 19 HB2 SER 5 1HB SER 5 -14.020 -19.750 8.598 20 HB3 SER 5 2HB SER 5 -14.834 -18.185 8.574 21 HG SER 5 HG SER 5 -15.891 -20.411 7.875 22 H SER 6 H SER 6 -14.428 -16.230 7.473 23 HA SER 6 HA SER 6 -15.708 -15.830 4.867 24 HB2 SER 6 1HB SER 6 -16.108 -14.639 7.591 25 HB3 SER 6 2HB SER 6 -16.659 -13.763 6.164 26 HG SER 6 HG SER 6 -17.335 -16.471 6.498 27 H GLY 7 H GLY 7 -14.415 -14.911 3.407 28 HA2 GLY 7 1HA GLY 7 -13.651 -12.514 2.943 29 HA3 GLY 7 2HA GLY 7 -12.576 -12.787 4.306 30 HA PRO 8 HA PRO 8 -10.805 -14.290 0.125 31 HB2 PRO 8 1HB PRO 8 -9.217 -12.169 -0.467 32 HB3 PRO 8 2HB PRO 8 -10.884 -12.308 -1.037 33 HG2 PRO 8 1HG PRO 8 -9.798 -10.755 1.281 34 HG3 PRO 8 2HG PRO 8 -11.006 -10.270 0.076 35 HD2 PRO 8 1HD PRO 8 -11.682 -11.112 2.560 36 HD3 PRO 8 2HD PRO 8 -12.708 -11.405 1.139 37 H ASP 9 H ASP 9 -8.320 -14.279 -0.372 38 HA ASP 9 HA ASP 9 -7.013 -15.115 2.075 39 HB2 ASP 9 1HB ASP 9 -6.447 -15.403 -0.847 40 HB3 ASP 9 2HB ASP 9 -5.123 -15.601 0.298 41 H GLN 10 H GLN 10 -4.798 -14.448 2.575 42 HA GLN 10 HA GLN 10 -4.516 -11.739 2.952 43 HB2 GLN 10 1HB GLN 10 -3.147 -13.157 4.246 44 HB3 GLN 10 2HB GLN 10 -2.481 -13.950 2.824 45 HG2 GLN 10 1HG GLN 10 -0.812 -12.527 3.774 46 HG3 GLN 10 2HG GLN 10 -1.333 -11.845 2.234 47 HE21 GLN 10 1HE2 GLN 10 -0.270 -10.861 4.998 48 HE22 GLN 10 2HE2 GLN 10 -1.247 -9.469 5.298 49 H CYS 11 H CYS 11 -3.603 -10.053 1.869 50 HA CYS 11 HA CYS 11 -3.207 -10.422 -0.982 51 HB2 CYS 11 1HB CYS 11 -3.136 -7.882 0.661 52 HB3 CYS 11 2HB CYS 11 -3.190 -7.983 -1.096 53 HG CYS 11 HG CYS 11 -5.713 -9.586 0.397 54 H LYS 12 H LYS 12 -1.356 -9.586 -2.110 55 HA LYS 12 HA LYS 12 1.108 -10.119 -0.671 56 HB2 LYS 12 1HB LYS 12 2.161 -10.238 -2.794 57 HB3 LYS 12 2HB LYS 12 0.596 -11.019 -2.982 58 HG2 LYS 12 1HG LYS 12 -0.218 -9.379 -4.339 59 HG3 LYS 12 2HG LYS 12 0.801 -8.127 -3.625 60 HD2 LYS 12 1HD LYS 12 2.750 -9.477 -4.694 61 HD3 LYS 12 2HD LYS 12 1.480 -10.168 -5.706 62 HE2 LYS 12 1HE LYS 12 2.063 -8.383 -7.001 63 HE3 LYS 12 2HE LYS 12 0.829 -7.622 -5.998 64 HZ1 LYS 12 1HZ LYS 12 2.335 -6.336 -4.977 65 HZ2 LYS 12 2HZ LYS 12 3.297 -6.655 -6.331 66 HZ3 LYS 12 3HZ LYS 12 3.512 -7.551 -4.912 67 HA PRO 13 HA PRO 13 2.336 -5.951 -0.032 68 HB2 PRO 13 1HB PRO 13 5.032 -6.173 -0.257 69 HB3 PRO 13 2HB PRO 13 4.130 -6.790 1.132 70 HG2 PRO 13 1HG PRO 13 5.163 -8.261 -1.263 71 HG3 PRO 13 2HG PRO 13 5.202 -8.737 0.446 72 HD2 PRO 13 1HD PRO 13 3.371 -9.710 -1.296 73 HD3 PRO 13 2HD PRO 13 3.013 -9.459 0.424 74 HA PRO 14 HA PRO 14 2.604 -4.247 -4.132 75 HB2 PRO 14 1HB PRO 14 2.699 -1.639 -3.379 76 HB3 PRO 14 2HB PRO 14 1.209 -2.592 -3.361 77 HG2 PRO 14 1HG PRO 14 3.050 -1.911 -1.101 78 HG3 PRO 14 2HG PRO 14 1.277 -1.902 -1.141 79 HD2 PRO 14 1HD PRO 14 2.700 -3.929 -0.046 80 HD3 PRO 14 2HD PRO 14 1.134 -4.184 -0.844 81 H GLN 15 H GLN 15 4.056 -2.817 -5.358 82 HA GLN 15 HA GLN 15 6.803 -3.048 -4.363 83 HB2 GLN 15 1HB GLN 15 6.315 -4.097 -6.529 84 HB3 GLN 15 2HB GLN 15 5.779 -2.546 -7.163 85 HG2 GLN 15 1HG GLN 15 7.966 -2.894 -7.970 86 HG3 GLN 15 2HG GLN 15 8.083 -1.673 -6.705 87 HE21 GLN 15 1HE2 GLN 15 9.439 -2.007 -5.068 88 HE22 GLN 15 2HE2 GLN 15 10.293 -3.477 -4.764 89 H VAL 16 H VAL 16 7.707 -1.304 -3.515 90 HA VAL 16 HA VAL 16 6.619 1.335 -4.092 91 HB VAL 16 HB VAL 16 8.205 2.102 -2.320 92 HG11 VAL 16 1HG1 VAL 16 6.913 1.272 -0.496 93 HG12 VAL 16 2HG1 VAL 16 5.837 1.405 -1.889 94 HG13 VAL 16 3HG1 VAL 16 6.458 -0.172 -1.400 95 HG21 VAL 16 1HG2 VAL 16 9.458 -0.320 -2.809 96 HG22 VAL 16 2HG2 VAL 16 9.814 0.798 -1.492 97 HG23 VAL 16 3HG2 VAL 16 8.694 -0.540 -1.233 98 H THR 17 H THR 17 7.653 2.929 -5.177 99 HA THR 17 HA THR 17 10.401 2.436 -6.094 100 HB THR 17 HB THR 17 8.090 3.287 -7.847 101 HG1 THR 17 1HG THR 17 8.684 1.373 -8.980 102 HG21 THR 17 1HG2 THR 17 10.918 3.855 -8.060 103 HG22 THR 17 2HG2 THR 17 9.579 4.428 -9.056 104 HG23 THR 17 3HG2 THR 17 10.356 2.888 -9.423 105 H CYS 18 H CYS 18 11.504 4.022 -5.125 106 HA CYS 18 HA CYS 18 10.409 6.548 -4.450 107 HB2 CYS 18 1HB CYS 18 12.763 7.158 -3.909 108 HB3 CYS 18 2HB CYS 18 12.249 5.648 -3.166 109 HG CYS 18 HG CYS 18 14.703 4.914 -3.827 110 H ARG 19 H ARG 19 9.518 7.189 -6.514 111 HA ARG 19 HA ARG 19 10.920 7.581 -8.865 112 HB2 ARG 19 1HB ARG 19 8.528 8.887 -7.642 113 HB3 ARG 19 2HB ARG 19 9.230 9.597 -9.089 114 HG2 ARG 19 1HG ARG 19 9.081 7.057 -9.898 115 HG3 ARG 19 2HG ARG 19 7.751 7.066 -8.739 116 HD2 ARG 19 1HD ARG 19 6.612 7.758 -10.581 117 HD3 ARG 19 2HD ARG 19 7.173 9.327 -10.005 118 HE ARG 19 HE ARG 19 8.306 9.513 -11.965 119 HH11 ARG 19 1HH1 ARG 19 8.008 6.129 -11.202 120 HH12 ARG 19 2HH1 ARG 19 8.824 5.601 -12.636 121 HH21 ARG 19 1HH2 ARG 19 9.381 8.829 -13.856 122 HH22 ARG 19 2HH2 ARG 19 9.605 7.137 -14.145 123 H SER 20 H SER 20 10.847 9.540 -5.963 124 HA SER 20 HA SER 20 13.207 10.957 -6.811 125 HB2 SER 20 1HB SER 20 11.129 12.190 -7.766 126 HB3 SER 20 2HB SER 20 10.858 12.693 -6.097 127 HG SER 20 HG SER 20 12.852 13.435 -7.883 128 H ALA 21 H ALA 21 13.974 12.471 -5.084 129 HA ALA 21 HA ALA 21 14.268 11.238 -2.659 130 HB1 ALA 21 1HB ALA 21 14.306 14.212 -3.165 131 HB2 ALA 21 2HB ALA 21 15.015 13.392 -1.773 132 HB3 ALA 21 3HB ALA 21 15.659 13.102 -3.390 133 H THR 22 H THR 22 11.722 13.458 -3.649 134 HA THR 22 HA THR 22 10.373 12.965 -1.074 135 HB THR 22 HB THR 22 9.335 15.094 -1.176 136 HG1 THR 22 1HG THR 22 9.504 16.426 -3.017 137 HG21 THR 22 1HG2 THR 22 12.247 15.186 -1.914 138 HG22 THR 22 2HG2 THR 22 11.500 15.406 -0.332 139 HG23 THR 22 3HG2 THR 22 11.337 16.656 -1.566 140 H CYS 23 H CYS 23 10.274 11.349 -3.532 141 HA CYS 23 HA CYS 23 7.367 11.367 -3.860 142 HB2 CYS 23 1HB CYS 23 9.296 11.179 -6.183 143 HB3 CYS 23 2HB CYS 23 7.544 11.057 -6.280 144 HG CYS 23 HG CYS 23 7.758 13.829 -4.876 145 H ALA 24 H ALA 24 6.452 9.361 -4.151 146 HA ALA 24 HA ALA 24 8.103 7.037 -4.635 147 HB1 ALA 24 1HB ALA 24 8.380 7.453 -2.206 148 HB2 ALA 24 2HB ALA 24 6.638 7.257 -2.010 149 HB3 ALA 24 3HB ALA 24 7.620 5.904 -2.570 150 H GLN 25 H GLN 25 6.980 5.616 -5.796 151 HA GLN 25 HA GLN 25 4.052 5.870 -5.841 152 HB2 GLN 25 1HB GLN 25 5.475 6.190 -7.961 153 HB3 GLN 25 2HB GLN 25 5.705 4.446 -7.913 154 HG2 GLN 25 1HG GLN 25 2.938 5.523 -7.774 155 HG3 GLN 25 2HG GLN 25 3.780 5.537 -9.322 156 HE21 GLN 25 1HE2 GLN 25 1.833 4.096 -9.707 157 HE22 GLN 25 2HE2 GLN 25 2.074 2.403 -9.466 158 H VAL 26 H VAL 26 2.735 4.044 -5.730 159 HA VAL 26 HA VAL 26 4.070 1.566 -4.855 160 HB VAL 26 HB VAL 26 1.397 2.438 -3.788 161 HG11 VAL 26 1HG1 VAL 26 3.432 0.360 -3.067 162 HG12 VAL 26 2HG1 VAL 26 2.245 0.921 -1.889 163 HG13 VAL 26 3HG1 VAL 26 1.710 0.164 -3.391 164 HG21 VAL 26 1HG2 VAL 26 4.107 2.990 -2.581 165 HG22 VAL 26 2HG2 VAL 26 2.978 4.192 -3.205 166 HG23 VAL 26 3HG2 VAL 26 2.558 3.246 -1.777 167 H ASN 27 H ASN 27 3.036 -0.393 -5.379 168 HA ASN 27 HA ASN 27 0.706 -0.272 -7.135 169 HB2 ASN 27 1HB ASN 27 3.430 -1.256 -7.929 170 HB3 ASN 27 2HB ASN 27 1.987 -1.953 -8.659 171 HD21 ASN 27 1HD2 ASN 27 4.281 -0.059 -9.491 172 HD22 ASN 27 2HD2 ASN 27 3.455 1.187 -10.357 173 H TRP 28 H TRP 28 -0.705 -1.757 -6.513 174 HA TRP 28 HA TRP 28 0.308 -4.207 -5.224 175 HB2 TRP 28 1HB TRP 28 -1.799 -4.218 -3.894 176 HB3 TRP 28 2HB TRP 28 -0.767 -2.832 -3.553 177 HD1 TRP 28 HD TRP 28 -4.238 -3.720 -4.587 178 HE1 TRP 28 1HE TRP 28 -5.581 -1.585 -5.096 179 HE3 TRP 28 3HE TRP 28 -0.400 -0.345 -4.643 180 HZ2 TRP 28 2HZ TRP 28 -5.079 1.168 -5.472 181 HZ3 TRP 28 3HZ TRP 28 -0.916 2.020 -5.086 182 HH2 TRP 28 HH TRP 28 -3.208 2.758 -5.492 183 H GLU 29 H GLU 29 -1.735 -5.829 -5.128 184 HA GLU 29 HA GLU 29 -3.273 -5.820 -7.575 185 HB2 GLU 29 1HB GLU 29 -0.985 -7.710 -7.120 186 HB3 GLU 29 2HB GLU 29 -2.371 -8.204 -8.082 187 HG2 GLU 29 1HG GLU 29 -1.902 -5.946 -9.335 188 HG3 GLU 29 2HG GLU 29 -0.286 -6.167 -8.663 189 H VAL 30 H VAL 30 -4.904 -7.460 -7.625 190 HA VAL 30 HA VAL 30 -5.902 -8.102 -5.015 191 HB VAL 30 HB VAL 30 -7.135 -9.333 -7.420 192 HG11 VAL 30 1HG1 VAL 30 -9.170 -8.294 -6.221 193 HG12 VAL 30 2HG1 VAL 30 -8.362 -9.673 -5.475 194 HG13 VAL 30 3HG1 VAL 30 -8.054 -8.042 -4.879 195 HG21 VAL 30 1HG2 VAL 30 -6.641 -7.293 -8.448 196 HG22 VAL 30 2HG2 VAL 30 -8.279 -7.075 -7.831 197 HG23 VAL 30 3HG2 VAL 30 -6.910 -6.375 -6.966 198 HA PRO 31 HA PRO 31 -4.079 -12.101 -4.603 199 HB2 PRO 31 1HB PRO 31 -5.722 -13.069 -2.670 200 HB3 PRO 31 2HB PRO 31 -4.465 -11.869 -2.350 201 HG2 PRO 31 1HG PRO 31 -7.403 -11.471 -2.759 202 HG3 PRO 31 2HG PRO 31 -6.329 -10.722 -1.564 203 HD2 PRO 31 1HD PRO 31 -7.105 -9.449 -3.824 204 HD3 PRO 31 2HD PRO 31 -5.520 -9.177 -3.072 205 H LEU 32 H LEU 32 -5.255 -14.439 -4.050 206 HA LEU 32 HA LEU 32 -6.922 -14.908 -6.413 207 HB2 LEU 32 1HB LEU 32 -5.138 -16.643 -4.748 208 HB3 LEU 32 2HB LEU 32 -6.365 -17.358 -5.793 209 HG LEU 32 HG LEU 32 -4.261 -15.478 -6.837 210 HD11 LEU 32 1HD1 LEU 32 -4.085 -18.382 -6.205 211 HD12 LEU 32 2HD1 LEU 32 -2.858 -17.121 -6.082 212 HD13 LEU 32 3HD1 LEU 32 -3.293 -17.775 -7.660 213 HD21 LEU 32 1HD2 LEU 32 -6.555 -16.549 -7.964 214 HD22 LEU 32 2HD2 LEU 32 -5.257 -17.579 -8.568 215 HD23 LEU 32 3HD2 LEU 32 -5.193 -15.834 -8.827 216 H SER 33 H SER 33 -8.901 -14.207 -5.522 217 HA SER 33 HA SER 33 -9.973 -15.898 -3.363 218 HB2 SER 33 1HB SER 33 -11.574 -14.123 -2.917 219 HB3 SER 33 2HB SER 33 -9.946 -13.449 -2.919 220 HG SER 33 HG SER 33 -10.632 -12.143 -4.400 221 H ASN 34 H ASN 34 -11.279 -17.466 -4.003 222 HA ASN 34 HA ASN 34 -12.728 -17.169 -6.540 223 HB2 ASN 34 1HB ASN 34 -13.080 -19.759 -5.993 224 HB3 ASN 34 2HB ASN 34 -11.631 -19.161 -6.794 225 HD21 ASN 34 1HD2 ASN 34 -12.541 -18.877 -3.401 226 HD22 ASN 34 2HD2 ASN 34 -11.207 -19.783 -2.782 227 H GLY 35 H GLY 35 -14.038 -15.693 -4.916 228 HA2 GLY 35 1HA GLY 35 -16.552 -16.941 -4.574 229 HA3 GLY 35 2HA GLY 35 -15.752 -16.802 -3.015 230 H THR 36 H THR 36 -14.971 -14.595 -2.431 231 HA THR 36 HA THR 36 -17.092 -12.691 -2.966 232 HB THR 36 HB THR 36 -15.708 -11.275 -1.299 233 HG1 THR 36 1HG THR 36 -14.026 -12.216 -0.392 234 HG21 THR 36 1HG2 THR 36 -16.530 -13.662 0.180 235 HG22 THR 36 2HG2 THR 36 -17.732 -13.099 -0.982 236 HG23 THR 36 3HG2 THR 36 -17.137 -12.009 0.270 237 H ASP 37 H ASP 37 -16.744 -10.542 -3.681 238 HA ASP 37 HA ASP 37 -14.360 -10.257 -5.384 239 HB2 ASP 37 1HB ASP 37 -17.179 -9.247 -5.668 240 HB3 ASP 37 2HB ASP 37 -15.852 -8.494 -6.549 241 H VAL 38 H VAL 38 -12.920 -8.759 -4.854 242 HA VAL 38 HA VAL 38 -13.073 -7.177 -2.570 243 HB VAL 38 HB VAL 38 -11.377 -6.573 -4.994 244 HG11 VAL 38 1HG1 VAL 38 -10.138 -5.194 -3.690 245 HG12 VAL 38 2HG1 VAL 38 -11.668 -5.037 -2.825 246 HG13 VAL 38 3HG1 VAL 38 -10.425 -6.138 -2.227 247 HG21 VAL 38 1HG2 VAL 38 -11.355 -8.848 -3.216 248 HG22 VAL 38 2HG2 VAL 38 -10.415 -8.557 -4.680 249 HG23 VAL 38 3HG2 VAL 38 -9.839 -7.951 -3.127 250 H THR 39 H THR 39 -14.054 -5.321 -2.116 251 HA THR 39 HA THR 39 -15.533 -3.938 -4.181 252 HB THR 39 HB THR 39 -16.345 -2.506 -2.306 253 HG1 THR 39 1HG THR 39 -15.707 -3.009 -0.215 254 HG21 THR 39 1HG2 THR 39 -16.846 -5.276 -2.767 255 HG22 THR 39 2HG2 THR 39 -17.957 -4.036 -2.185 256 HG23 THR 39 3HG2 THR 39 -16.984 -4.958 -1.038 257 H GLU 40 H GLU 40 -13.031 -3.048 -1.802 258 HA GLU 40 HA GLU 40 -11.966 -1.109 -3.699 259 HB2 GLU 40 1HB GLU 40 -12.134 0.765 -2.321 260 HB3 GLU 40 2HB GLU 40 -13.692 -0.024 -2.112 261 HG2 GLU 40 1HG GLU 40 -12.431 -1.176 -0.095 262 HG3 GLU 40 2HG GLU 40 -11.445 0.282 -0.203 263 H TYR 41 H TYR 41 -9.998 0.044 -2.452 264 HA TYR 41 HA TYR 41 -8.515 -2.042 -1.002 265 HB2 TYR 41 1HB TYR 41 -7.386 -0.302 -3.205 266 HB3 TYR 41 2HB TYR 41 -6.498 -1.506 -2.277 267 HD1 TYR 41 1HD TYR 41 -9.058 -0.997 -4.870 268 HD2 TYR 41 2HD TYR 41 -6.704 -3.851 -2.768 269 HE1 TYR 41 1HE TYR 41 -9.669 -2.711 -6.524 270 HE2 TYR 41 2HE TYR 41 -7.308 -5.572 -4.416 271 HH TYR 41 HH TYR 41 -8.869 -4.820 -7.372 272 H ARG 42 H ARG 42 -7.941 -1.306 0.922 273 HA ARG 42 HA ARG 42 -7.666 1.577 1.337 274 HB2 ARG 42 1HB ARG 42 -8.251 -0.756 3.097 275 HB3 ARG 42 2HB ARG 42 -7.453 0.637 3.814 276 HG2 ARG 42 1HG ARG 42 -9.280 2.074 3.111 277 HG3 ARG 42 2HG ARG 42 -10.072 0.704 2.329 278 HD2 ARG 42 1HD ARG 42 -10.204 -0.424 4.524 279 HD3 ARG 42 2HD ARG 42 -9.499 1.008 5.274 280 HE ARG 42 HE ARG 42 -11.818 1.666 3.768 281 HH11 ARG 42 1HH1 ARG 42 -10.768 0.262 6.776 282 HH12 ARG 42 2HH1 ARG 42 -12.216 0.689 7.630 283 HH21 ARG 42 1HH2 ARG 42 -13.726 2.233 4.881 284 HH22 ARG 42 2HH2 ARG 42 -13.897 1.809 6.551 285 H LEU 43 H LEU 43 -5.653 2.196 0.765 286 HA LEU 43 HA LEU 43 -3.364 0.594 1.628 287 HB2 LEU 43 1HB LEU 43 -3.285 1.239 -0.662 288 HB3 LEU 43 2HB LEU 43 -3.640 2.918 -0.263 289 HG LEU 43 HG LEU 43 -1.363 2.787 1.020 290 HD11 LEU 43 1HD1 LEU 43 -1.265 0.430 -0.830 291 HD12 LEU 43 2HD1 LEU 43 -0.787 0.535 0.865 292 HD13 LEU 43 3HD1 LEU 43 0.198 1.307 -0.378 293 HD21 LEU 43 1HD2 LEU 43 -1.234 2.810 -1.979 294 HD22 LEU 43 2HD2 LEU 43 -0.308 3.769 -0.824 295 HD23 LEU 43 3HD2 LEU 43 -2.024 4.101 -1.072 296 H GLU 44 H GLU 44 -2.265 1.094 3.400 297 HA GLU 44 HA GLU 44 -2.622 3.771 4.564 298 HB2 GLU 44 1HB GLU 44 -1.840 1.142 5.830 299 HB3 GLU 44 2HB GLU 44 -1.809 2.682 6.678 300 HG2 GLU 44 1HG GLU 44 -4.295 2.830 5.908 301 HG3 GLU 44 2HG GLU 44 -4.139 1.084 5.736 302 H TRP 45 H TRP 45 -0.933 5.103 4.837 303 HA TRP 45 HA TRP 45 1.787 4.066 4.716 304 HB2 TRP 45 1HB TRP 45 1.216 4.552 2.370 305 HB3 TRP 45 2HB TRP 45 0.792 6.202 2.817 306 HD1 TRP 45 HD TRP 45 3.118 7.322 4.338 307 HE1 TRP 45 1HE TRP 45 5.501 7.467 3.376 308 HE3 TRP 45 3HE TRP 45 2.749 3.738 0.712 309 HZ2 TRP 45 2HZ TRP 45 7.023 6.227 1.348 310 HZ3 TRP 45 3HZ TRP 45 4.714 3.279 -0.697 311 HH2 TRP 45 HH TRP 45 6.805 4.499 -0.384 312 H GLY 46 H GLY 46 2.878 4.956 6.335 313 HA2 GLY 46 1HA GLY 46 2.471 7.794 6.944 314 HA3 GLY 46 2HA GLY 46 2.223 6.631 8.238 315 H GLY 47 H GLY 47 4.081 8.606 8.551 316 HA2 GLY 47 1HA GLY 47 6.656 8.326 7.746 317 HA3 GLY 47 2HA GLY 47 6.227 8.760 9.395 318 H VAL 48 H VAL 48 5.661 6.849 10.826 319 HA VAL 48 HA VAL 48 7.493 4.618 10.225 320 HB VAL 48 HB VAL 48 6.795 5.247 13.048 321 HG11 VAL 48 1HG1 VAL 48 9.502 4.763 12.811 322 HG12 VAL 48 2HG1 VAL 48 8.265 3.578 13.234 323 HG13 VAL 48 3HG1 VAL 48 8.790 3.748 11.559 324 HG21 VAL 48 1HG2 VAL 48 8.959 6.746 12.929 325 HG22 VAL 48 2HG2 VAL 48 8.420 6.996 11.268 326 HG23 VAL 48 3HG2 VAL 48 7.361 7.423 12.612 327 H GLU 49 H GLU 49 6.953 2.611 11.538 328 HA GLU 49 HA GLU 49 4.441 1.654 10.820 329 HB2 GLU 49 1HB GLU 49 6.155 0.600 13.074 330 HB3 GLU 49 2HB GLU 49 4.942 -0.290 12.165 331 HG2 GLU 49 1HG GLU 49 7.233 0.924 10.707 332 HG3 GLU 49 2HG GLU 49 7.487 -0.553 11.634 333 H GLY 50 H GLY 50 5.533 3.170 13.797 334 HA2 GLY 50 1HA GLY 50 3.218 2.563 15.334 335 HA3 GLY 50 2HA GLY 50 4.405 3.806 15.699 336 H SER 51 H SER 51 3.771 4.792 12.815 337 HA SER 51 HA SER 51 1.223 6.120 13.444 338 HB2 SER 51 1HB SER 51 2.720 7.836 13.968 339 HB3 SER 51 2HB SER 51 3.843 7.380 12.687 340 HG SER 51 HG SER 51 1.548 8.938 12.575 341 H MET 52 H MET 52 -0.061 5.168 11.961 342 HA MET 52 HA MET 52 0.529 5.697 9.158 343 HB2 MET 52 1HB MET 52 0.049 2.947 10.297 344 HB3 MET 52 2HB MET 52 -0.214 3.322 8.598 345 HG2 MET 52 1HG MET 52 2.138 4.008 8.406 346 HG3 MET 52 2HG MET 52 2.386 3.565 10.094 347 HE1 MET 52 1HE MET 52 2.472 2.343 6.447 348 HE2 MET 52 2HE MET 52 1.786 0.721 6.542 349 HE3 MET 52 3HE MET 52 0.765 2.129 6.837 350 H GLN 53 H GLN 53 -1.277 6.005 7.905 351 HA GLN 53 HA GLN 53 -3.902 5.379 8.993 352 HB2 GLN 53 1HB GLN 53 -4.725 7.673 8.707 353 HB3 GLN 53 2HB GLN 53 -3.441 7.595 9.907 354 HG2 GLN 53 1HG GLN 53 -2.754 8.252 7.085 355 HG3 GLN 53 2HG GLN 53 -3.482 9.487 8.112 356 HE21 GLN 53 1HE2 GLN 53 -0.633 8.091 7.131 357 HE22 GLN 53 2HE2 GLN 53 0.405 8.683 8.378 358 H ILE 54 H ILE 54 -5.650 6.028 7.382 359 HA ILE 54 HA ILE 54 -5.046 4.852 4.880 360 HB ILE 54 HB ILE 54 -7.470 6.522 5.545 361 HG12 ILE 54 1HG1 ILE 54 -6.832 4.528 7.108 362 HG13 ILE 54 2HG1 ILE 54 -8.488 4.680 6.531 363 HG21 ILE 54 1HG2 ILE 54 -7.245 6.073 3.184 364 HG22 ILE 54 2HG2 ILE 54 -6.995 4.357 3.504 365 HG23 ILE 54 3HG2 ILE 54 -8.558 5.099 3.845 366 HD11 ILE 54 1HD1 ILE 54 -7.635 2.379 6.429 367 HD12 ILE 54 2HD1 ILE 54 -8.092 3.006 4.845 368 HD13 ILE 54 3HD1 ILE 54 -6.391 2.911 5.297 369 H CYS 55 H CYS 55 -3.823 5.797 3.386 370 HA CYS 55 HA CYS 55 -3.815 8.694 3.102 371 HB2 CYS 55 1HB CYS 55 -2.066 6.461 2.201 372 HB3 CYS 55 2HB CYS 55 -2.095 7.915 1.210 373 HG CYS 55 HG CYS 55 0.132 8.106 2.834 374 H TYR 56 H TYR 56 -4.551 5.817 1.168 375 HA TYR 56 HA TYR 56 -6.225 7.497 -0.557 376 HB2 TYR 56 1HB TYR 56 -4.300 7.267 -1.905 377 HB3 TYR 56 2HB TYR 56 -4.077 5.582 -1.445 378 HD1 TYR 56 2HD TYR 56 -5.577 3.839 -2.379 379 HD2 TYR 56 1HD TYR 56 -5.736 7.877 -3.710 380 HE1 TYR 56 2HE TYR 56 -6.813 3.123 -4.382 381 HE2 TYR 56 1HE TYR 56 -6.973 7.173 -5.717 382 HH TYR 56 HH TYR 56 -8.391 4.144 -6.032 383 H CYS 57 H CYS 57 -8.085 6.538 -1.294 384 HA CYS 57 HA CYS 57 -8.529 3.716 -0.633 385 HB2 CYS 57 1HB CYS 57 -10.418 4.084 0.637 386 HB3 CYS 57 2HB CYS 57 -9.453 5.485 1.089 387 HG CYS 57 HG CYS 57 -11.182 7.246 0.400 388 H GLY 58 H GLY 58 -9.677 2.604 -2.124 389 HA2 GLY 58 1HA GLY 58 -11.702 3.245 -3.747 390 HA3 GLY 58 2HA GLY 58 -10.354 4.008 -4.578 391 HA PRO 59 HA PRO 59 -10.838 -0.580 -5.696 392 HB2 PRO 59 1HB PRO 59 -11.768 -0.246 -8.225 393 HB3 PRO 59 2HB PRO 59 -12.832 -0.389 -6.820 394 HG2 PRO 59 1HG PRO 59 -11.929 2.069 -8.271 395 HG3 PRO 59 2HG PRO 59 -13.543 1.660 -7.661 396 HD2 PRO 59 1HD PRO 59 -11.870 3.333 -6.344 397 HD3 PRO 59 2HD PRO 59 -13.021 2.276 -5.502 398 H GLY 60 H GLY 60 -9.236 2.210 -6.695 399 HA2 GLY 60 1HA GLY 60 -7.854 1.458 -8.985 400 HA3 GLY 60 2HA GLY 60 -7.229 2.549 -7.758 401 H LEU 61 H LEU 61 -5.641 0.762 -9.257 402 HA LEU 61 HA LEU 61 -4.803 -1.140 -7.168 403 HB2 LEU 61 1HB LEU 61 -4.497 -1.346 -10.160 404 HB3 LEU 61 2HB LEU 61 -3.801 -2.473 -8.997 405 HG LEU 61 HG LEU 61 -6.764 -1.999 -9.237 406 HD11 LEU 61 1HD1 LEU 61 -6.629 -2.986 -11.238 407 HD12 LEU 61 2HD1 LEU 61 -6.295 -4.460 -10.330 408 HD13 LEU 61 3HD1 LEU 61 -4.963 -3.503 -10.976 409 HD21 LEU 61 1HD2 LEU 61 -5.099 -4.186 -7.995 410 HD22 LEU 61 2HD2 LEU 61 -6.858 -4.211 -8.137 411 HD23 LEU 61 3HD2 LEU 61 -6.071 -2.982 -7.146 412 H SER 62 H SER 62 -4.040 1.721 -8.598 413 HA SER 62 HA SER 62 -1.255 1.497 -7.748 414 HB2 SER 62 1HB SER 62 -0.466 2.643 -9.806 415 HB3 SER 62 2HB SER 62 -1.148 1.051 -10.141 416 HG SER 62 HG SER 62 -2.159 3.593 -10.736 417 H TYR 63 H TYR 63 -0.546 3.270 -6.713 418 HA TYR 63 HA TYR 63 -1.923 5.818 -7.093 419 HB2 TYR 63 1HB TYR 63 -3.117 4.769 -5.241 420 HB3 TYR 63 2HB TYR 63 -1.598 4.476 -4.400 421 HD1 TYR 63 1HD TYR 63 -3.763 7.210 -5.699 422 HD2 TYR 63 2HD TYR 63 -0.739 6.077 -2.930 423 HE1 TYR 63 1HE TYR 63 -3.960 9.400 -4.597 424 HE2 TYR 63 2HE TYR 63 -0.927 8.263 -1.819 425 HH TYR 63 HH TYR 63 -2.191 10.868 -3.091 426 H GLU 64 H GLU 64 -0.642 7.588 -6.796 427 HA GLU 64 HA GLU 64 2.189 7.039 -6.233 428 HB2 GLU 64 1HB GLU 64 1.289 8.162 -8.426 429 HB3 GLU 64 2HB GLU 64 1.213 9.606 -7.425 430 HG2 GLU 64 1HG GLU 64 3.679 8.971 -6.840 431 HG3 GLU 64 2HG GLU 64 3.584 8.061 -8.347 432 H ILE 65 H ILE 65 3.247 8.016 -4.594 433 HA ILE 65 HA ILE 65 1.681 9.850 -2.901 434 HB ILE 65 HB ILE 65 3.762 7.801 -2.182 435 HG12 ILE 65 1HG1 ILE 65 1.126 8.267 -0.827 436 HG13 ILE 65 2HG1 ILE 65 1.191 7.382 -2.348 437 HG21 ILE 65 1HG2 ILE 65 3.047 10.306 -0.781 438 HG22 ILE 65 2HG2 ILE 65 3.201 8.853 0.206 439 HG23 ILE 65 3HG2 ILE 65 4.557 9.397 -0.782 440 HD11 ILE 65 1HD1 ILE 65 2.705 5.761 -1.336 441 HD12 ILE 65 2HD1 ILE 65 2.637 6.648 0.187 442 HD13 ILE 65 3HD1 ILE 65 1.186 5.875 -0.450 443 H LYS 66 H LYS 66 2.556 11.760 -2.250 444 HA LYS 66 HA LYS 66 5.338 12.341 -2.964 445 HB2 LYS 66 1HB LYS 66 2.946 14.019 -3.736 446 HB3 LYS 66 2HB LYS 66 4.612 14.576 -3.836 447 HG2 LYS 66 1HG LYS 66 5.076 12.675 -5.384 448 HG3 LYS 66 2HG LYS 66 3.345 12.325 -5.380 449 HD2 LYS 66 1HD LYS 66 4.221 15.102 -5.993 450 HD3 LYS 66 2HD LYS 66 4.447 13.862 -7.230 451 HE2 LYS 66 1HE LYS 66 2.021 13.272 -6.928 452 HE3 LYS 66 2HE LYS 66 1.872 14.706 -5.913 453 HZ1 LYS 66 1HZ LYS 66 3.125 15.229 -8.444 454 HZ2 LYS 66 2HZ LYS 66 1.847 16.035 -7.684 455 HZ3 LYS 66 3HZ LYS 66 1.544 14.644 -8.599 456 H GLY 67 H GLY 67 5.999 14.541 -2.035 457 HA2 GLY 67 1HA GLY 67 6.022 16.086 -0.294 458 HA3 GLY 67 2HA GLY 67 4.520 15.397 0.302 459 H LEU 68 H LEU 68 7.251 13.358 -0.385 460 HA LEU 68 HA LEU 68 7.395 12.653 2.440 461 HB2 LEU 68 1HB LEU 68 8.835 11.384 0.120 462 HB3 LEU 68 2HB LEU 68 8.626 10.720 1.739 463 HG LEU 68 HG LEU 68 6.322 11.224 -0.133 464 HD11 LEU 68 1HD1 LEU 68 6.818 8.470 0.084 465 HD12 LEU 68 2HD1 LEU 68 8.361 9.223 -0.318 466 HD13 LEU 68 3HD1 LEU 68 6.956 9.487 -1.351 467 HD21 LEU 68 1HD2 LEU 68 5.048 9.957 1.353 468 HD22 LEU 68 2HD2 LEU 68 6.038 10.964 2.408 469 HD23 LEU 68 3HD2 LEU 68 6.470 9.274 2.141 470 H SER 69 H SER 69 9.691 12.070 3.223 471 HA SER 69 HA SER 69 11.483 14.299 2.515 472 HB2 SER 69 1HB SER 69 10.782 13.038 5.132 473 HB3 SER 69 2HB SER 69 12.398 13.713 4.927 474 HG SER 69 HG SER 69 11.464 15.536 5.381 475 HA PRO 70 HA PRO 70 14.497 11.358 1.239 476 HB2 PRO 70 1HB PRO 70 16.733 12.867 1.549 477 HB3 PRO 70 2HB PRO 70 15.575 13.122 0.237 478 HG2 PRO 70 1HG PRO 70 15.856 14.592 2.830 479 HG3 PRO 70 2HG PRO 70 15.567 15.237 1.204 480 HD2 PRO 70 1HD PRO 70 13.585 14.933 3.023 481 HD3 PRO 70 2HD PRO 70 13.314 14.759 1.277 482 H ALA 71 H ALA 71 16.202 10.043 2.024 483 HA ALA 71 HA ALA 71 17.157 8.725 3.625 484 HB1 ALA 71 1HB ALA 71 17.684 11.427 4.856 485 HB2 ALA 71 2HB ALA 71 18.498 9.926 5.299 486 HB3 ALA 71 3HB ALA 71 18.701 10.595 3.680 487 H THR 72 H THR 72 14.409 8.850 3.905 488 HA THR 72 HA THR 72 14.129 8.632 6.824 489 HB THR 72 HB THR 72 12.010 9.769 4.991 490 HG1 THR 72 1HG THR 72 13.894 10.969 6.732 491 HG21 THR 72 1HG2 THR 72 12.031 8.851 7.786 492 HG22 THR 72 2HG2 THR 72 10.685 9.029 6.661 493 HG23 THR 72 3HG2 THR 72 11.303 10.435 7.527 494 H THR 73 H THR 73 13.077 6.854 7.539 495 HA THR 73 HA THR 73 12.492 4.784 5.618 496 HB THR 73 HB THR 73 11.998 4.610 8.586 497 HG1 THR 73 1HG THR 73 14.239 5.327 7.771 498 HG21 THR 73 1HG2 THR 73 12.847 2.210 7.970 499 HG22 THR 73 2HG2 THR 73 12.370 2.677 6.338 500 HG23 THR 73 3HG2 THR 73 11.179 2.672 7.638 501 H TYR 74 H TYR 74 10.541 4.086 4.957 502 HA TYR 74 HA TYR 74 8.151 5.180 6.281 503 HB2 TYR 74 1HB TYR 74 8.823 5.159 3.350 504 HB3 TYR 74 2HB TYR 74 7.150 5.202 3.896 505 HD1 TYR 74 1HD TYR 74 6.300 7.156 5.136 506 HD2 TYR 74 2HD TYR 74 10.241 7.084 3.532 507 HE1 TYR 74 1HE TYR 74 6.444 9.598 5.394 508 HE2 TYR 74 2HE TYR 74 10.396 9.526 3.787 509 HH TYR 74 HH TYR 74 7.913 11.362 5.443 510 H TYR 75 H TYR 75 6.150 3.958 5.709 511 HA TYR 75 HA TYR 75 6.639 1.169 4.969 512 HB2 TYR 75 1HB TYR 75 5.081 1.932 7.444 513 HB3 TYR 75 2HB TYR 75 5.460 0.306 6.888 514 HD1 TYR 75 1HD TYR 75 7.014 3.436 8.151 515 HD2 TYR 75 2HD TYR 75 7.436 -0.758 7.571 516 HE1 TYR 75 1HE TYR 75 9.070 3.462 9.500 517 HE2 TYR 75 2HE TYR 75 9.493 -0.743 8.920 518 HH TYR 75 HH TYR 75 11.224 1.902 9.603 519 H CYS 76 H CYS 76 4.800 0.053 4.212 520 HA CYS 76 HA CYS 76 2.302 1.523 3.956 521 HB2 CYS 76 1HB CYS 76 2.200 1.429 1.574 522 HB3 CYS 76 2HB CYS 76 3.755 2.141 1.986 523 HG CYS 76 HG CYS 76 3.601 0.155 -0.248 524 H ARG 77 H ARG 77 0.510 0.214 3.483 525 HA ARG 77 HA ARG 77 0.895 -2.630 3.077 526 HB2 ARG 77 1HB ARG 77 -0.332 -3.305 5.065 527 HB3 ARG 77 2HB ARG 77 1.092 -2.381 5.521 528 HG2 ARG 77 1HG ARG 77 -0.315 -0.396 5.842 529 HG3 ARG 77 2HG ARG 77 -1.737 -1.355 5.427 530 HD2 ARG 77 1HD ARG 77 -1.766 -1.427 7.735 531 HD3 ARG 77 2HD ARG 77 -0.917 -2.918 7.331 532 HE ARG 77 HE ARG 77 1.044 -1.020 7.638 533 HH11 ARG 77 1HH1 ARG 77 -1.503 -2.342 9.610 534 HH12 ARG 77 2HH1 ARG 77 -0.652 -2.103 11.099 535 HH21 ARG 77 1HH2 ARG 77 2.175 -0.700 9.593 536 HH22 ARG 77 2HH2 ARG 77 1.440 -1.168 11.089 537 H VAL 78 H VAL 78 -0.649 -3.377 1.781 538 HA VAL 78 HA VAL 78 -3.142 -1.820 1.546 539 HB VAL 78 HB VAL 78 -1.711 -1.804 -0.484 540 HG11 VAL 78 1HG1 VAL 78 -2.326 -4.754 -0.602 541 HG12 VAL 78 2HG1 VAL 78 -1.437 -3.815 -1.803 542 HG13 VAL 78 3HG1 VAL 78 -0.757 -4.060 -0.194 543 HG21 VAL 78 1HG2 VAL 78 -4.444 -2.182 -0.279 544 HG22 VAL 78 2HG2 VAL 78 -3.570 -1.621 -1.704 545 HG23 VAL 78 3HG2 VAL 78 -3.947 -3.333 -1.520 546 H GLN 79 H GLN 79 -5.061 -2.834 1.760 547 HA GLN 79 HA GLN 79 -5.033 -5.765 2.052 548 HB2 GLN 79 1HB GLN 79 -6.400 -5.686 3.939 549 HB3 GLN 79 2HB GLN 79 -5.281 -4.356 4.204 550 HG2 GLN 79 1HG GLN 79 -6.941 -2.765 3.461 551 HG3 GLN 79 2HG GLN 79 -8.057 -4.074 3.077 552 HE21 GLN 79 1HE2 GLN 79 -9.283 -4.942 4.658 553 HE22 GLN 79 2HE2 GLN 79 -9.260 -4.419 6.304 554 H ALA 80 H ALA 80 -7.144 -6.794 1.686 555 HA ALA 80 HA ALA 80 -8.614 -5.388 -0.438 556 HB1 ALA 80 1HB ALA 80 -8.147 -8.306 0.095 557 HB2 ALA 80 2HB ALA 80 -9.394 -7.743 -1.018 558 HB3 ALA 80 3HB ALA 80 -7.700 -7.360 -1.326 559 H LEU 81 H LEU 81 -10.604 -4.709 -0.020 560 HA LEU 81 HA LEU 81 -11.976 -5.712 2.362 561 HB2 LEU 81 1HB LEU 81 -12.346 -3.272 0.649 562 HB3 LEU 81 2HB LEU 81 -13.524 -3.754 1.868 563 HG LEU 81 HG LEU 81 -11.404 -3.689 3.442 564 HD11 LEU 81 1HD1 LEU 81 -10.071 -1.617 2.686 565 HD12 LEU 81 2HD1 LEU 81 -10.639 -2.034 1.069 566 HD13 LEU 81 3HD1 LEU 81 -9.670 -3.186 1.987 567 HD21 LEU 81 1HD2 LEU 81 -13.452 -1.790 2.676 568 HD22 LEU 81 2HD2 LEU 81 -12.004 -0.987 3.283 569 HD23 LEU 81 3HD2 LEU 81 -12.827 -2.192 4.275 570 H SER 82 H SER 82 -14.079 -6.504 2.314 571 HA SER 82 HA SER 82 -15.207 -7.065 -0.344 572 HB2 SER 82 1HB SER 82 -15.949 -9.310 0.705 573 HB3 SER 82 2HB SER 82 -14.270 -9.151 0.190 574 HG SER 82 HG SER 82 -14.742 -10.035 2.389 575 H VAL 83 H VAL 83 -17.498 -8.271 0.224 576 HA VAL 83 HA VAL 83 -18.984 -6.207 1.651 577 HB VAL 83 HB VAL 83 -20.996 -7.396 0.714 578 HG11 VAL 83 1HG1 VAL 83 -20.290 -5.459 -0.421 579 HG12 VAL 83 2HG1 VAL 83 -18.871 -6.268 -1.089 580 HG13 VAL 83 3HG1 VAL 83 -20.482 -6.686 -1.673 581 HG21 VAL 83 1HG2 VAL 83 -18.939 -8.913 -0.887 582 HG22 VAL 83 2HG2 VAL 83 -19.880 -9.596 0.441 583 HG23 VAL 83 3HG2 VAL 83 -20.693 -9.039 -1.022 584 H VAL 84 H VAL 84 -17.540 -9.023 2.476 585 HA VAL 84 HA VAL 84 -19.592 -9.662 4.496 586 HB VAL 84 HB VAL 84 -18.936 -11.439 2.714 587 HG11 VAL 84 1HG1 VAL 84 -16.718 -11.992 4.657 588 HG12 VAL 84 2HG1 VAL 84 -16.992 -12.691 3.060 589 HG13 VAL 84 3HG1 VAL 84 -16.458 -11.016 3.212 590 HG21 VAL 84 1HG2 VAL 84 -19.249 -13.231 4.362 591 HG22 VAL 84 2HG2 VAL 84 -18.937 -12.083 5.663 592 HG23 VAL 84 3HG2 VAL 84 -20.359 -11.888 4.637 593 H GLY 85 H GLY 85 -16.633 -8.253 4.045 594 HA2 GLY 85 1HA GLY 85 -16.032 -7.661 6.619 595 HA3 GLY 85 2HA GLY 85 -15.313 -9.252 6.414 596 H ALA 86 H ALA 86 -13.262 -8.249 6.827 597 HA ALA 86 HA ALA 86 -12.154 -6.997 4.408 598 HB1 ALA 86 1HB ALA 86 -12.338 -5.838 7.049 599 HB2 ALA 86 2HB ALA 86 -10.664 -5.942 6.502 600 HB3 ALA 86 3HB ALA 86 -11.860 -5.095 5.522 601 H GLY 87 H GLY 87 -10.000 -7.497 3.939 602 HA2 GLY 87 1HA GLY 87 -9.077 -9.975 5.172 603 HA3 GLY 87 2HA GLY 87 -8.466 -9.261 3.688 604 HA PRO 88 HA PRO 88 -5.678 -8.395 7.436 605 HB2 PRO 88 1HB PRO 88 -3.646 -10.076 6.790 606 HB3 PRO 88 2HB PRO 88 -5.007 -10.561 7.808 607 HG2 PRO 88 1HG PRO 88 -4.552 -11.059 4.891 608 HG3 PRO 88 2HG PRO 88 -5.160 -12.168 6.135 609 HD2 PRO 88 1HD PRO 88 -6.795 -10.898 4.390 610 HD3 PRO 88 2HD PRO 88 -7.292 -11.299 6.047 611 H PHE 89 H PHE 89 -3.879 -7.060 7.333 612 HA PHE 89 HA PHE 89 -3.424 -5.747 4.845 613 HB2 PHE 89 1HB PHE 89 -2.417 -5.449 7.636 614 HB3 PHE 89 2HB PHE 89 -1.492 -4.699 6.339 615 HD1 PHE 89 2HD PHE 89 -2.869 -3.227 4.683 616 HD2 PHE 89 1HD PHE 89 -4.156 -4.289 8.598 617 HE1 PHE 89 2HE PHE 89 -4.409 -1.309 4.693 618 HE2 PHE 89 1HE PHE 89 -5.699 -2.372 8.614 619 HZ PHE 89 HZ PHE 89 -5.826 -0.879 6.660 620 H SER 90 H SER 90 -2.009 -6.227 3.308 621 HA SER 90 HA SER 90 -0.469 -8.489 3.194 622 HB2 SER 90 1HB SER 90 0.724 -7.454 1.327 623 HB3 SER 90 2HB SER 90 -0.992 -7.058 1.244 624 HG SER 90 HG SER 90 1.166 -5.415 1.564 625 H GLU 91 H GLU 91 1.960 -8.614 3.004 626 HA GLU 91 HA GLU 91 3.148 -8.046 5.466 627 HB2 GLU 91 1HB GLU 91 4.534 -8.600 2.837 628 HB3 GLU 91 2HB GLU 91 5.248 -8.760 4.436 629 HG2 GLU 91 1HG GLU 91 3.385 -10.446 4.900 630 HG3 GLU 91 2HG GLU 91 3.132 -10.447 3.156 631 H VAL 92 H VAL 92 3.641 -6.116 6.257 632 HA VAL 92 HA VAL 92 3.685 -3.695 5.047 633 HB VAL 92 HB VAL 92 5.570 -4.540 7.252 634 HG11 VAL 92 1HG1 VAL 92 4.514 -1.774 6.966 635 HG12 VAL 92 2HG1 VAL 92 6.026 -2.339 7.679 636 HG13 VAL 92 3HG1 VAL 92 5.846 -2.279 5.926 637 HG21 VAL 92 1HG2 VAL 92 3.718 -3.384 8.639 638 HG22 VAL 92 2HG2 VAL 92 2.701 -3.680 7.229 639 HG23 VAL 92 3HG2 VAL 92 3.454 -5.033 8.073 640 H VAL 93 H VAL 93 4.880 -2.675 3.578 641 HA VAL 93 HA VAL 93 7.457 -3.869 2.811 642 HB VAL 93 HB VAL 93 5.666 -2.023 1.226 643 HG11 VAL 93 1HG1 VAL 93 7.871 -1.609 0.514 644 HG12 VAL 93 2HG1 VAL 93 8.305 -3.317 0.600 645 HG13 VAL 93 3HG1 VAL 93 7.208 -2.748 -0.658 646 HG21 VAL 93 1HG2 VAL 93 5.159 -3.955 -0.137 647 HG22 VAL 93 2HG2 VAL 93 6.229 -4.962 0.838 648 HG23 VAL 93 3HG2 VAL 93 4.756 -4.299 1.545 649 H ALA 94 H ALA 94 9.018 -2.878 3.960 650 HA ALA 94 HA ALA 94 8.909 -0.068 4.584 651 HB1 ALA 94 1HB ALA 94 11.049 -2.141 5.039 652 HB2 ALA 94 2HB ALA 94 11.136 -0.474 5.608 653 HB3 ALA 94 3HB ALA 94 9.872 -1.546 6.210 654 H CYS 95 H CYS 95 10.370 1.527 3.873 655 HA CYS 95 HA CYS 95 12.270 0.984 1.795 656 HB2 CYS 95 1HB CYS 95 11.228 2.149 -0.005 657 HB3 CYS 95 2HB CYS 95 10.046 0.993 0.595 658 HG CYS 95 HG CYS 95 10.044 4.381 0.964 659 H VAL 96 H VAL 96 13.790 2.560 1.665 660 HA VAL 96 HA VAL 96 13.318 4.986 3.274 661 HB VAL 96 HB VAL 96 15.909 3.514 2.783 662 HG11 VAL 96 1HG1 VAL 96 16.407 5.360 4.738 663 HG12 VAL 96 2HG1 VAL 96 16.845 5.533 3.037 664 HG13 VAL 96 3HG1 VAL 96 15.352 6.253 3.642 665 HG21 VAL 96 1HG2 VAL 96 14.673 4.043 5.455 666 HG22 VAL 96 2HG2 VAL 96 14.141 2.670 4.484 667 HG23 VAL 96 3HG2 VAL 96 15.827 2.795 4.984 668 H THR 97 H THR 97 13.069 6.727 2.050 669 HA THR 97 HA THR 97 13.721 6.888 -0.678 670 HB THR 97 HB THR 97 13.232 9.285 -0.502 671 HG1 THR 97 1HG THR 97 13.448 8.731 2.267 672 HG21 THR 97 1HG2 THR 97 11.490 7.158 0.236 673 HG22 THR 97 2HG2 THR 97 11.090 8.681 -0.560 674 HG23 THR 97 3HG2 THR 97 11.072 8.573 1.200 675 HA PRO 98 HA PRO 98 17.990 7.933 -0.731 676 HB2 PRO 98 1HB PRO 98 18.093 9.419 -3.001 677 HB3 PRO 98 2HB PRO 98 17.888 7.664 -3.011 678 HG2 PRO 98 1HG PRO 98 15.826 9.814 -3.304 679 HG3 PRO 98 2HG PRO 98 16.000 8.300 -4.211 680 HD2 PRO 98 1HD PRO 98 14.218 8.593 -2.193 681 HD3 PRO 98 2HD PRO 98 15.011 7.045 -2.549 682 HA PRO 99 HA PRO 99 18.437 11.884 1.183 683 HB2 PRO 99 1HB PRO 99 21.115 12.204 0.880 684 HB3 PRO 99 2HB PRO 99 20.408 11.077 2.044 685 HG2 PRO 99 1HG PRO 99 21.527 10.535 -0.679 686 HG3 PRO 99 2HG PRO 99 21.740 9.614 0.822 687 HD2 PRO 99 1HD PRO 99 19.996 8.866 -1.109 688 HD3 PRO 99 2HD PRO 99 19.701 8.560 0.614 689 H SER 100 H SER 100 18.140 13.914 0.499 690 HA SER 100 HA SER 100 18.885 14.567 -2.268 691 HB2 SER 100 1HB SER 100 16.490 14.758 -1.736 692 HB3 SER 100 2HB SER 100 16.866 15.902 -0.447 693 HG SER 100 HG SER 100 17.726 16.393 -3.082 694 H SER 101 H SER 101 18.639 16.178 0.907 695 HA SER 101 HA SER 101 19.912 18.505 0.503 696 HB2 SER 101 1HB SER 101 19.927 16.602 2.794 697 HB3 SER 101 2HB SER 101 21.080 17.935 2.840 698 HG SER 101 HG SER 101 18.666 18.097 3.611 699 H GLY 102 H GLY 102 21.544 18.748 -0.923 700 HA2 GLY 102 1HA GLY 102 23.823 18.901 -1.410 701 HA3 GLY 102 2HA GLY 102 24.147 17.715 -0.154 702 HA PRO 103 HA PRO 103 24.157 15.886 -4.571 703 HB2 PRO 103 1HB PRO 103 26.836 15.830 -5.009 704 HB3 PRO 103 2HB PRO 103 25.811 17.187 -5.492 705 HG2 PRO 103 1HG PRO 103 27.562 16.899 -3.081 706 HG3 PRO 103 2HG PRO 103 27.351 18.299 -4.149 707 HD2 PRO 103 1HD PRO 103 26.125 18.104 -1.742 708 HD3 PRO 103 2HD PRO 103 25.391 18.945 -3.124 709 H SER 104 H SER 104 24.253 13.717 -4.738 710 HA SER 104 HA SER 104 25.599 12.252 -2.573 711 HB2 SER 104 1HB SER 104 23.224 11.813 -2.656 712 HB3 SER 104 2HB SER 104 23.306 11.456 -4.382 713 HG SER 104 HG SER 104 24.731 9.690 -3.785 714 H SER 105 H SER 105 24.836 11.845 -6.035 715 HA SER 105 HA SER 105 26.521 9.762 -6.628 716 HB2 SER 105 1HB SER 105 26.555 10.615 -8.944 717 HB3 SER 105 2HB SER 105 24.938 10.697 -8.248 718 HG SER 105 HG SER 105 25.312 12.916 -7.840 719 H GLY 106 H GLY 106 28.661 9.474 -6.979 720 HA2 GLY 106 1HA GLY 106 30.678 10.916 -7.817 721 HA3 GLY 106 2HA GLY 106 30.408 11.723 -6.280 Start of MODEL 17 1 H1 GLY 1 H GLY 1 -13.657 -28.884 15.398 2 HA2 GLY 1 1HA GLY 1 -15.839 -27.893 15.032 3 HA3 GLY 1 2HA GLY 1 -15.207 -26.392 15.692 4 H SER 2 H SER 2 -16.136 -27.833 12.916 5 HA SER 2 HA SER 2 -14.083 -26.850 11.152 6 HB2 SER 2 1HB SER 2 -16.793 -28.095 10.697 7 HB3 SER 2 2HB SER 2 -15.807 -27.484 9.369 8 HG SER 2 HG SER 2 -14.891 -29.382 11.265 9 H SER 3 H SER 3 -13.950 -24.638 11.488 10 HA SER 3 HA SER 3 -16.335 -23.007 11.140 11 HB2 SER 3 1HB SER 3 -14.509 -22.562 12.885 12 HB3 SER 3 2HB SER 3 -13.524 -21.987 11.540 13 HG SER 3 HG SER 3 -14.552 -20.177 11.739 14 H GLY 4 H GLY 4 -16.894 -23.116 8.998 15 HA2 GLY 4 1HA GLY 4 -15.306 -23.200 6.768 16 HA3 GLY 4 2HA GLY 4 -16.870 -22.399 6.811 17 H SER 5 H SER 5 -14.128 -21.824 5.553 18 HA SER 5 HA SER 5 -13.308 -19.349 6.754 19 HB2 SER 5 1HB SER 5 -11.811 -19.174 4.773 20 HB3 SER 5 2HB SER 5 -11.655 -20.717 5.613 21 HG SER 5 HG SER 5 -12.888 -20.152 3.145 22 H SER 6 H SER 6 -14.184 -17.419 6.444 23 HA SER 6 HA SER 6 -15.819 -16.991 4.028 24 HB2 SER 6 1HB SER 6 -17.226 -15.475 5.356 25 HB3 SER 6 2HB SER 6 -17.202 -17.091 6.062 26 HG SER 6 HG SER 6 -16.504 -14.775 7.186 27 H GLY 7 H GLY 7 -14.151 -16.071 2.829 28 HA2 GLY 7 1HA GLY 7 -13.846 -13.428 2.620 29 HA3 GLY 7 2HA GLY 7 -12.715 -13.785 3.917 30 HA PRO 8 HA PRO 8 -10.882 -14.477 -0.428 31 HB2 PRO 8 1HB PRO 8 -9.377 -12.223 -0.596 32 HB3 PRO 8 2HB PRO 8 -11.036 -12.316 -1.196 33 HG2 PRO 8 1HG PRO 8 -10.014 -11.189 1.383 34 HG3 PRO 8 2HG PRO 8 -11.238 -10.531 0.281 35 HD2 PRO 8 1HD PRO 8 -11.883 -11.851 2.555 36 HD3 PRO 8 2HD PRO 8 -12.895 -11.910 1.097 37 H ASP 9 H ASP 9 -8.368 -14.167 -0.880 38 HA ASP 9 HA ASP 9 -7.035 -15.404 1.397 39 HB2 ASP 9 1HB ASP 9 -6.971 -16.162 -1.127 40 HB3 ASP 9 2HB ASP 9 -5.688 -14.961 -1.237 41 H GLN 10 H GLN 10 -4.811 -14.761 1.944 42 HA GLN 10 HA GLN 10 -4.597 -12.157 2.778 43 HB2 GLN 10 1HB GLN 10 -3.162 -14.076 3.507 44 HB3 GLN 10 2HB GLN 10 -2.254 -13.902 2.011 45 HG2 GLN 10 1HG GLN 10 -2.011 -11.417 2.849 46 HG3 GLN 10 2HG GLN 10 -2.301 -12.167 4.418 47 HE21 GLN 10 1HE2 GLN 10 0.097 -10.897 3.156 48 HE22 GLN 10 2HE2 GLN 10 1.357 -12.063 3.342 49 H CYS 11 H CYS 11 -3.446 -10.326 2.065 50 HA CYS 11 HA CYS 11 -3.363 -10.084 -0.840 51 HB2 CYS 11 1HB CYS 11 -3.452 -8.136 1.437 52 HB3 CYS 11 2HB CYS 11 -2.892 -7.602 -0.143 53 HG CYS 11 HG CYS 11 -5.744 -9.277 -0.380 54 H LYS 12 H LYS 12 -1.559 -9.511 -2.007 55 HA LYS 12 HA LYS 12 0.979 -10.153 -0.777 56 HB2 LYS 12 1HB LYS 12 0.119 -9.547 -3.598 57 HB3 LYS 12 2HB LYS 12 1.816 -9.705 -3.163 58 HG2 LYS 12 1HG LYS 12 -0.153 -11.864 -2.506 59 HG3 LYS 12 2HG LYS 12 0.591 -11.753 -4.103 60 HD2 LYS 12 1HD LYS 12 2.821 -11.786 -2.998 61 HD3 LYS 12 2HD LYS 12 2.006 -12.058 -1.456 62 HE2 LYS 12 1HE LYS 12 1.162 -14.159 -2.182 63 HE3 LYS 12 2HE LYS 12 1.653 -13.853 -3.847 64 HZ1 LYS 12 1HZ LYS 12 3.259 -15.291 -2.989 65 HZ2 LYS 12 2HZ LYS 12 3.368 -14.463 -1.518 66 HZ3 LYS 12 3HZ LYS 12 3.997 -13.770 -2.926 67 HA PRO 13 HA PRO 13 2.404 -6.066 -0.037 68 HB2 PRO 13 1HB PRO 13 5.069 -6.374 -0.452 69 HB3 PRO 13 2HB PRO 13 4.236 -7.021 0.967 70 HG2 PRO 13 1HG PRO 13 5.051 -8.419 -1.552 71 HG3 PRO 13 2HG PRO 13 5.183 -8.972 0.127 72 HD2 PRO 13 1HD PRO 13 3.205 -9.797 -1.528 73 HD3 PRO 13 2HD PRO 13 2.971 -9.612 0.222 74 HA PRO 14 HA PRO 14 2.456 -4.216 -4.087 75 HB2 PRO 14 1HB PRO 14 2.610 -1.641 -3.240 76 HB3 PRO 14 2HB PRO 14 1.115 -2.583 -3.185 77 HG2 PRO 14 1HG PRO 14 3.070 -2.004 -0.994 78 HG3 PRO 14 2HG PRO 14 1.298 -1.982 -0.945 79 HD2 PRO 14 1HD PRO 14 2.755 -4.060 -0.003 80 HD3 PRO 14 2HD PRO 14 1.150 -4.272 -0.731 81 H GLN 15 H GLN 15 3.871 -2.843 -5.363 82 HA GLN 15 HA GLN 15 6.655 -3.071 -4.479 83 HB2 GLN 15 1HB GLN 15 6.215 -4.126 -6.596 84 HB3 GLN 15 2HB GLN 15 5.436 -2.674 -7.212 85 HG2 GLN 15 1HG GLN 15 7.650 -2.922 -8.151 86 HG3 GLN 15 2HG GLN 15 7.568 -1.489 -7.126 87 HE21 GLN 15 1HE2 GLN 15 9.916 -1.707 -7.167 88 HE22 GLN 15 2HE2 GLN 15 10.676 -2.757 -6.024 89 H VAL 16 H VAL 16 7.586 -1.330 -3.654 90 HA VAL 16 HA VAL 16 6.483 1.310 -4.178 91 HB VAL 16 HB VAL 16 8.241 2.040 -2.501 92 HG11 VAL 16 1HG1 VAL 16 5.984 1.811 -1.785 93 HG12 VAL 16 2HG1 VAL 16 6.110 0.052 -1.742 94 HG13 VAL 16 3HG1 VAL 16 6.994 1.029 -0.569 95 HG21 VAL 16 1HG2 VAL 16 8.475 -0.900 -1.909 96 HG22 VAL 16 2HG2 VAL 16 9.649 -0.031 -2.900 97 HG23 VAL 16 3HG2 VAL 16 9.400 0.432 -1.215 98 H THR 17 H THR 17 7.495 2.934 -5.261 99 HA THR 17 HA THR 17 10.162 2.386 -6.375 100 HB THR 17 HB THR 17 7.811 3.501 -7.915 101 HG1 THR 17 1HG THR 17 7.545 1.472 -8.422 102 HG21 THR 17 1HG2 THR 17 9.219 4.274 -9.475 103 HG22 THR 17 2HG2 THR 17 10.199 2.809 -9.424 104 HG23 THR 17 3HG2 THR 17 10.489 4.104 -8.264 105 H CYS 18 H CYS 18 11.130 3.806 -4.923 106 HA CYS 18 HA CYS 18 10.272 6.354 -4.240 107 HB2 CYS 18 1HB CYS 18 12.638 6.811 -3.666 108 HB3 CYS 18 2HB CYS 18 12.087 5.257 -3.055 109 HG CYS 18 HG CYS 18 14.094 5.757 -5.780 110 H ARG 19 H ARG 19 9.403 7.254 -6.181 111 HA ARG 19 HA ARG 19 10.647 7.673 -8.582 112 HB2 ARG 19 1HB ARG 19 8.715 9.378 -7.033 113 HB3 ARG 19 2HB ARG 19 9.300 9.877 -8.613 114 HG2 ARG 19 1HG ARG 19 8.130 7.156 -8.281 115 HG3 ARG 19 2HG ARG 19 7.066 8.559 -8.385 116 HD2 ARG 19 1HD ARG 19 7.230 7.953 -10.598 117 HD3 ARG 19 2HD ARG 19 8.520 9.148 -10.470 118 HE ARG 19 HE ARG 19 9.455 6.501 -9.960 119 HH11 ARG 19 1HH1 ARG 19 8.604 8.736 -12.489 120 HH12 ARG 19 2HH1 ARG 19 9.634 7.997 -13.669 121 HH21 ARG 19 1HH2 ARG 19 10.816 5.519 -11.503 122 HH22 ARG 19 2HH2 ARG 19 10.892 6.166 -13.108 123 H SER 20 H SER 20 10.965 9.616 -5.639 124 HA SER 20 HA SER 20 13.589 10.481 -6.410 125 HB2 SER 20 1HB SER 20 11.814 12.028 -7.577 126 HB3 SER 20 2HB SER 20 11.675 12.747 -5.973 127 HG SER 20 HG SER 20 14.216 12.355 -7.100 128 H ALA 21 H ALA 21 14.251 12.352 -4.750 129 HA ALA 21 HA ALA 21 14.483 11.252 -2.263 130 HB1 ALA 21 1HB ALA 21 14.365 14.199 -2.895 131 HB2 ALA 21 2HB ALA 21 15.051 13.481 -1.436 132 HB3 ALA 21 3HB ALA 21 15.792 13.168 -3.005 133 H THR 22 H THR 22 11.982 13.542 -3.323 134 HA THR 22 HA THR 22 10.448 12.860 -0.900 135 HB THR 22 HB THR 22 9.343 15.017 -1.055 136 HG1 THR 22 1HG THR 22 11.022 15.452 -3.321 137 HG21 THR 22 1HG2 THR 22 11.023 16.207 -0.087 138 HG22 THR 22 2HG2 THR 22 12.164 15.858 -1.385 139 HG23 THR 22 3HG2 THR 22 11.837 14.644 -0.149 140 H CYS 23 H CYS 23 10.458 11.352 -3.373 141 HA CYS 23 HA CYS 23 7.599 11.534 -3.973 142 HB2 CYS 23 1HB CYS 23 9.716 11.213 -6.109 143 HB3 CYS 23 2HB CYS 23 7.976 11.262 -6.360 144 HG CYS 23 HG CYS 23 8.010 13.976 -5.126 145 H ALA 24 H ALA 24 6.594 9.598 -4.187 146 HA ALA 24 HA ALA 24 8.156 7.175 -4.586 147 HB1 ALA 24 1HB ALA 24 6.399 7.422 -2.153 148 HB2 ALA 24 2HB ALA 24 7.465 6.085 -2.587 149 HB3 ALA 24 3HB ALA 24 8.148 7.642 -2.120 150 H GLN 25 H GLN 25 6.909 5.376 -5.222 151 HA GLN 25 HA GLN 25 4.062 5.894 -5.722 152 HB2 GLN 25 1HB GLN 25 5.366 6.356 -7.783 153 HB3 GLN 25 2HB GLN 25 5.968 4.705 -7.743 154 HG2 GLN 25 1HG GLN 25 3.580 3.941 -7.870 155 HG3 GLN 25 2HG GLN 25 3.141 5.620 -8.178 156 HE21 GLN 25 1HE2 GLN 25 2.299 4.350 -10.124 157 HE22 GLN 25 2HE2 GLN 25 3.353 4.284 -11.492 158 H VAL 26 H VAL 26 2.729 4.178 -5.432 159 HA VAL 26 HA VAL 26 4.001 1.619 -4.703 160 HB VAL 26 HB VAL 26 1.326 2.597 -3.709 161 HG11 VAL 26 1HG1 VAL 26 1.632 0.843 -2.019 162 HG12 VAL 26 2HG1 VAL 26 1.626 0.184 -3.655 163 HG13 VAL 26 3HG1 VAL 26 3.148 0.376 -2.787 164 HG21 VAL 26 1HG2 VAL 26 2.456 3.130 -1.598 165 HG22 VAL 26 2HG2 VAL 26 4.012 2.759 -2.342 166 HG23 VAL 26 3HG2 VAL 26 3.057 4.121 -2.927 167 H ASN 27 H ASN 27 2.836 -0.322 -5.207 168 HA ASN 27 HA ASN 27 0.631 -0.121 -7.094 169 HB2 ASN 27 1HB ASN 27 3.151 -1.612 -7.849 170 HB3 ASN 27 2HB ASN 27 1.712 -1.384 -8.838 171 HD21 ASN 27 1HD2 ASN 27 1.382 0.549 -9.876 172 HD22 ASN 27 2HD2 ASN 27 2.598 1.772 -9.992 173 H TRP 28 H TRP 28 -0.763 -1.774 -6.894 174 HA TRP 28 HA TRP 28 0.142 -4.241 -5.589 175 HB2 TRP 28 1HB TRP 28 -1.868 -4.261 -4.164 176 HB3 TRP 28 2HB TRP 28 -0.845 -2.867 -3.829 177 HD1 TRP 28 HD TRP 28 -4.247 -3.801 -5.301 178 HE1 TRP 28 1HE TRP 28 -5.680 -1.670 -5.482 179 HE3 TRP 28 3HE TRP 28 -0.695 -0.328 -4.095 180 HZ2 TRP 28 2HZ TRP 28 -5.348 1.114 -5.158 181 HZ3 TRP 28 3HZ TRP 28 -1.334 2.047 -4.053 182 HH2 TRP 28 HH TRP 28 -3.613 2.751 -4.574 183 H GLU 29 H GLU 29 -1.969 -5.777 -5.542 184 HA GLU 29 HA GLU 29 -3.571 -5.540 -7.934 185 HB2 GLU 29 1HB GLU 29 -2.817 -7.755 -8.825 186 HB3 GLU 29 2HB GLU 29 -1.615 -6.479 -8.944 187 HG2 GLU 29 1HG GLU 29 -1.565 -8.244 -6.556 188 HG3 GLU 29 2HG GLU 29 -0.996 -8.890 -8.095 189 H VAL 30 H VAL 30 -4.937 -7.618 -8.197 190 HA VAL 30 HA VAL 30 -6.057 -8.209 -5.577 191 HB VAL 30 HB VAL 30 -7.048 -8.880 -8.351 192 HG11 VAL 30 1HG1 VAL 30 -9.107 -9.047 -6.418 193 HG12 VAL 30 2HG1 VAL 30 -8.442 -10.338 -7.422 194 HG13 VAL 30 3HG1 VAL 30 -7.751 -10.012 -5.832 195 HG21 VAL 30 1HG2 VAL 30 -8.159 -6.915 -6.355 196 HG22 VAL 30 2HG2 VAL 30 -7.063 -6.470 -7.662 197 HG23 VAL 30 3HG2 VAL 30 -8.651 -7.141 -8.034 198 HA PRO 31 HA PRO 31 -3.945 -12.112 -5.382 199 HB2 PRO 31 1HB PRO 31 -5.203 -13.024 -3.156 200 HB3 PRO 31 2HB PRO 31 -3.924 -11.804 -3.106 201 HG2 PRO 31 1HG PRO 31 -6.893 -11.441 -2.996 202 HG3 PRO 31 2HG PRO 31 -5.633 -10.644 -2.036 203 HD2 PRO 31 1HD PRO 31 -6.816 -9.455 -4.162 204 HD3 PRO 31 2HD PRO 31 -5.126 -9.147 -3.714 205 H LEU 32 H LEU 32 -4.720 -14.466 -4.918 206 HA LEU 32 HA LEU 32 -6.837 -15.018 -6.818 207 HB2 LEU 32 1HB LEU 32 -4.640 -16.242 -6.748 208 HB3 LEU 32 2HB LEU 32 -5.190 -16.990 -5.250 209 HG LEU 32 HG LEU 32 -6.785 -17.251 -7.775 210 HD11 LEU 32 1HD1 LEU 32 -5.582 -19.490 -7.991 211 HD12 LEU 32 2HD1 LEU 32 -4.335 -18.783 -6.965 212 HD13 LEU 32 3HD1 LEU 32 -4.716 -18.048 -8.523 213 HD21 LEU 32 1HD2 LEU 32 -6.569 -18.732 -5.172 214 HD22 LEU 32 2HD2 LEU 32 -7.312 -19.457 -6.597 215 HD23 LEU 32 3HD2 LEU 32 -7.988 -17.983 -5.903 216 H SER 33 H SER 33 -8.644 -14.266 -5.618 217 HA SER 33 HA SER 33 -9.303 -15.682 -3.154 218 HB2 SER 33 1HB SER 33 -11.160 -14.103 -2.966 219 HB3 SER 33 2HB SER 33 -9.655 -13.235 -3.266 220 HG SER 33 HG SER 33 -10.454 -13.546 -5.612 221 H ASN 34 H ASN 34 -10.200 -17.620 -3.384 222 HA ASN 34 HA ASN 34 -11.857 -18.212 -5.704 223 HB2 ASN 34 1HB ASN 34 -11.904 -20.519 -4.363 224 HB3 ASN 34 2HB ASN 34 -10.539 -20.055 -5.374 225 HD21 ASN 34 1HD2 ASN 34 -11.546 -19.021 -2.140 226 HD22 ASN 34 2HD2 ASN 34 -10.072 -19.461 -1.353 227 H GLY 35 H GLY 35 -13.202 -16.380 -4.374 228 HA2 GLY 35 1HA GLY 35 -15.629 -17.651 -3.688 229 HA3 GLY 35 2HA GLY 35 -14.804 -17.152 -2.218 230 H THR 36 H THR 36 -14.099 -14.828 -2.169 231 HA THR 36 HA THR 36 -16.253 -13.174 -3.295 232 HB THR 36 HB THR 36 -15.532 -11.502 -1.537 233 HG1 THR 36 1HG THR 36 -14.253 -13.698 -0.287 234 HG21 THR 36 1HG2 THR 36 -17.492 -12.998 -1.284 235 HG22 THR 36 2HG2 THR 36 -16.723 -12.610 0.255 236 HG23 THR 36 3HG2 THR 36 -16.451 -14.183 -0.494 237 H ASP 37 H ASP 37 -15.765 -11.088 -4.140 238 HA ASP 37 HA ASP 37 -13.033 -10.899 -5.221 239 HB2 ASP 37 1HB ASP 37 -13.873 -10.032 -7.184 240 HB3 ASP 37 2HB ASP 37 -15.196 -11.096 -6.718 241 H VAL 38 H VAL 38 -11.818 -9.146 -4.814 242 HA VAL 38 HA VAL 38 -12.320 -7.446 -2.698 243 HB VAL 38 HB VAL 38 -10.593 -6.774 -5.083 244 HG11 VAL 38 1HG1 VAL 38 -9.432 -5.876 -2.706 245 HG12 VAL 38 2HG1 VAL 38 -10.183 -4.895 -3.966 246 HG13 VAL 38 3HG1 VAL 38 -11.138 -5.444 -2.589 247 HG21 VAL 38 1HG2 VAL 38 -10.247 -8.696 -2.857 248 HG22 VAL 38 2HG2 VAL 38 -9.631 -8.751 -4.509 249 HG23 VAL 38 3HG2 VAL 38 -8.845 -7.727 -3.308 250 H THR 39 H THR 39 -13.441 -5.622 -2.401 251 HA THR 39 HA THR 39 -14.703 -4.392 -4.762 252 HB THR 39 HB THR 39 -16.346 -3.469 -3.009 253 HG1 THR 39 1HG THR 39 -16.178 -4.209 -1.026 254 HG21 THR 39 1HG2 THR 39 -16.211 -6.389 -3.746 255 HG22 THR 39 2HG2 THR 39 -17.100 -5.105 -4.565 256 HG23 THR 39 3HG2 THR 39 -17.612 -5.654 -2.969 257 H GLU 40 H GLU 40 -12.834 -3.815 -1.875 258 HA GLU 40 HA GLU 40 -12.329 -1.083 -2.799 259 HB2 GLU 40 1HB GLU 40 -13.454 -1.887 -0.154 260 HB3 GLU 40 2HB GLU 40 -12.325 -0.541 -0.208 261 HG2 GLU 40 1HG GLU 40 -14.511 0.359 -0.327 262 HG3 GLU 40 2HG GLU 40 -13.788 0.521 -1.926 263 H TYR 41 H TYR 41 -10.465 -0.099 -1.502 264 HA TYR 41 HA TYR 41 -8.565 -2.076 -0.512 265 HB2 TYR 41 1HB TYR 41 -8.279 -0.562 -3.058 266 HB3 TYR 41 2HB TYR 41 -6.841 -0.747 -2.059 267 HD1 TYR 41 2HD TYR 41 -6.541 -3.271 -1.150 268 HD2 TYR 41 1HD TYR 41 -8.610 -2.146 -4.693 269 HE1 TYR 41 2HE TYR 41 -6.193 -5.529 -2.063 270 HE2 TYR 41 1HE TYR 41 -8.269 -4.400 -5.616 271 HH TYR 41 HH TYR 41 -6.593 -6.298 -5.266 272 H ARG 42 H ARG 42 -7.691 -1.317 1.288 273 HA ARG 42 HA ARG 42 -7.572 1.599 1.674 274 HB2 ARG 42 1HB ARG 42 -8.085 -0.685 3.526 275 HB3 ARG 42 2HB ARG 42 -7.293 0.748 4.167 276 HG2 ARG 42 1HG ARG 42 -9.174 2.121 3.395 277 HG3 ARG 42 2HG ARG 42 -9.972 0.665 2.797 278 HD2 ARG 42 1HD ARG 42 -9.826 -0.234 5.150 279 HD3 ARG 42 2HD ARG 42 -9.317 1.378 5.648 280 HE ARG 42 HE ARG 42 -11.973 0.547 4.883 281 HH11 ARG 42 1HH1 ARG 42 -9.789 3.221 5.331 282 HH12 ARG 42 2HH1 ARG 42 -11.051 4.388 5.535 283 HH21 ARG 42 1HH2 ARG 42 -13.646 2.077 5.149 284 HH22 ARG 42 2HH2 ARG 42 -13.245 3.736 5.432 285 H LEU 43 H LEU 43 -5.570 2.114 0.917 286 HA LEU 43 HA LEU 43 -3.267 0.583 1.882 287 HB2 LEU 43 1HB LEU 43 -3.150 0.891 -0.437 288 HB3 LEU 43 2HB LEU 43 -3.662 2.573 -0.327 289 HG LEU 43 HG LEU 43 -1.365 2.807 0.972 290 HD11 LEU 43 1HD1 LEU 43 -1.261 0.145 -0.094 291 HD12 LEU 43 2HD1 LEU 43 -0.098 0.987 0.929 292 HD13 LEU 43 3HD1 LEU 43 -0.005 1.146 -0.825 293 HD21 LEU 43 1HD2 LEU 43 -1.716 4.156 -0.886 294 HD22 LEU 43 2HD2 LEU 43 -1.911 2.781 -1.973 295 HD23 LEU 43 3HD2 LEU 43 -0.313 3.193 -1.349 296 H GLU 44 H GLU 44 -2.276 1.258 3.655 297 HA GLU 44 HA GLU 44 -2.484 4.087 4.413 298 HB2 GLU 44 1HB GLU 44 -1.617 1.737 6.105 299 HB3 GLU 44 2HB GLU 44 -1.914 3.376 6.666 300 HG2 GLU 44 1HG GLU 44 -4.271 3.157 6.070 301 HG3 GLU 44 2HG GLU 44 -3.974 1.513 5.508 302 H TRP 45 H TRP 45 -0.676 5.304 4.928 303 HA TRP 45 HA TRP 45 1.957 4.095 4.524 304 HB2 TRP 45 1HB TRP 45 1.371 4.967 2.331 305 HB3 TRP 45 2HB TRP 45 0.955 6.528 3.032 306 HD1 TRP 45 HD TRP 45 3.236 7.639 4.459 307 HE1 TRP 45 1HE TRP 45 5.619 7.866 3.515 308 HE3 TRP 45 3HE TRP 45 2.975 4.133 0.748 309 HZ2 TRP 45 2HZ TRP 45 7.182 6.713 1.467 310 HZ3 TRP 45 3HZ TRP 45 4.958 3.756 -0.659 311 HH2 TRP 45 HH TRP 45 7.017 5.021 -0.306 312 H GLY 46 H GLY 46 3.103 4.567 6.275 313 HA2 GLY 46 1HA GLY 46 3.074 7.315 7.287 314 HA3 GLY 46 2HA GLY 46 2.666 6.026 8.409 315 H GLY 47 H GLY 47 5.035 8.021 7.857 316 HA2 GLY 47 1HA GLY 47 7.399 6.939 7.261 317 HA3 GLY 47 2HA GLY 47 7.205 7.930 8.699 318 H VAL 48 H VAL 48 5.799 6.348 10.388 319 HA VAL 48 HA VAL 48 7.688 4.148 10.863 320 HB VAL 48 HB VAL 48 5.970 5.779 12.713 321 HG11 VAL 48 1HG1 VAL 48 6.949 4.173 14.497 322 HG12 VAL 48 2HG1 VAL 48 5.514 3.684 13.593 323 HG13 VAL 48 3HG1 VAL 48 7.097 3.043 13.153 324 HG21 VAL 48 1HG2 VAL 48 8.801 5.549 12.071 325 HG22 VAL 48 2HG2 VAL 48 7.926 6.850 12.878 326 HG23 VAL 48 3HG2 VAL 48 8.477 5.453 13.803 327 H GLU 49 H GLU 49 7.028 2.125 10.592 328 HA GLU 49 HA GLU 49 4.541 1.372 9.652 329 HB2 GLU 49 1HB GLU 49 5.182 -0.918 10.147 330 HB3 GLU 49 2HB GLU 49 6.564 -0.034 9.516 331 HG2 GLU 49 1HG GLU 49 7.659 -0.026 11.538 332 HG3 GLU 49 2HG GLU 49 6.173 -0.237 12.463 333 H GLY 50 H GLY 50 5.594 1.895 12.926 334 HA2 GLY 50 1HA GLY 50 3.535 0.473 14.252 335 HA3 GLY 50 2HA GLY 50 4.499 1.770 14.942 336 H SER 51 H SER 51 3.598 3.559 12.683 337 HA SER 51 HA SER 51 0.798 3.963 13.461 338 HB2 SER 51 1HB SER 51 3.078 5.846 13.850 339 HB3 SER 51 2HB SER 51 1.521 6.523 13.376 340 HG SER 51 HG SER 51 0.674 5.946 15.254 341 H MET 52 H MET 52 -0.294 3.793 11.619 342 HA MET 52 HA MET 52 0.582 5.395 9.328 343 HB2 MET 52 1HB MET 52 -0.393 2.552 9.035 344 HB3 MET 52 2HB MET 52 0.214 3.606 7.765 345 HG2 MET 52 1HG MET 52 2.416 3.414 8.486 346 HG3 MET 52 2HG MET 52 1.941 2.837 10.082 347 HE1 MET 52 1HE MET 52 0.829 1.733 6.438 348 HE2 MET 52 2HE MET 52 2.574 1.969 6.359 349 HE3 MET 52 3HE MET 52 1.895 0.348 6.203 350 H GLN 53 H GLN 53 -1.089 6.080 7.950 351 HA GLN 53 HA GLN 53 -3.821 5.548 8.901 352 HB2 GLN 53 1HB GLN 53 -3.626 7.671 9.740 353 HB3 GLN 53 2HB GLN 53 -2.429 8.151 8.543 354 HG2 GLN 53 1HG GLN 53 -4.245 8.210 6.845 355 HG3 GLN 53 2HG GLN 53 -5.400 7.906 8.142 356 HE21 GLN 53 1HE2 GLN 53 -4.946 10.216 6.296 357 HE22 GLN 53 2HE2 GLN 53 -4.830 11.591 7.336 358 H ILE 54 H ILE 54 -5.489 6.230 7.263 359 HA ILE 54 HA ILE 54 -4.912 4.987 4.776 360 HB ILE 54 HB ILE 54 -7.304 6.675 5.516 361 HG12 ILE 54 1HG1 ILE 54 -6.866 4.703 7.013 362 HG13 ILE 54 2HG1 ILE 54 -8.400 4.636 6.153 363 HG21 ILE 54 1HG2 ILE 54 -7.200 6.450 3.150 364 HG22 ILE 54 2HG2 ILE 54 -6.809 4.735 3.269 365 HG23 ILE 54 3HG2 ILE 54 -8.412 5.307 3.728 366 HD11 ILE 54 1HD1 ILE 54 -7.772 2.857 4.899 367 HD12 ILE 54 2HD1 ILE 54 -6.070 3.318 4.893 368 HD13 ILE 54 3HD1 ILE 54 -6.772 2.559 6.321 369 H CYS 55 H CYS 55 -4.072 5.826 2.989 370 HA CYS 55 HA CYS 55 -3.905 8.752 2.763 371 HB2 CYS 55 1HB CYS 55 -2.156 6.510 1.851 372 HB3 CYS 55 2HB CYS 55 -2.166 7.998 0.914 373 HG CYS 55 HG CYS 55 -0.540 9.288 2.417 374 H TYR 56 H TYR 56 -4.767 5.820 1.005 375 HA TYR 56 HA TYR 56 -6.410 7.442 -0.791 376 HB2 TYR 56 1HB TYR 56 -4.442 7.164 -2.109 377 HB3 TYR 56 2HB TYR 56 -4.306 5.464 -1.671 378 HD1 TYR 56 2HD TYR 56 -5.793 3.797 -2.686 379 HD2 TYR 56 1HD TYR 56 -5.943 7.887 -3.848 380 HE1 TYR 56 2HE TYR 56 -7.061 3.172 -4.698 381 HE2 TYR 56 1HE TYR 56 -7.213 7.273 -5.863 382 HH TYR 56 HH TYR 56 -8.761 4.448 -6.270 383 H CYS 57 H CYS 57 -8.256 6.434 -1.520 384 HA CYS 57 HA CYS 57 -8.684 3.640 -0.740 385 HB2 CYS 57 1HB CYS 57 -10.586 4.049 0.497 386 HB3 CYS 57 2HB CYS 57 -9.633 5.473 0.897 387 HG CYS 57 HG CYS 57 -12.482 5.234 -0.883 388 H GLY 58 H GLY 58 -9.890 2.459 -2.148 389 HA2 GLY 58 1HA GLY 58 -11.878 2.929 -3.808 390 HA3 GLY 58 2HA GLY 58 -10.602 3.792 -4.655 391 HA PRO 59 HA PRO 59 -10.730 -0.822 -5.757 392 HB2 PRO 59 1HB PRO 59 -11.686 -0.565 -8.285 393 HB3 PRO 59 2HB PRO 59 -12.734 -0.783 -6.879 394 HG2 PRO 59 1HG PRO 59 -12.020 1.731 -8.337 395 HG3 PRO 59 2HG PRO 59 -13.598 1.204 -7.724 396 HD2 PRO 59 1HD PRO 59 -12.054 3.001 -6.414 397 HD3 PRO 59 2HD PRO 59 -13.123 1.863 -5.568 398 H GLY 60 H GLY 60 -9.440 2.115 -6.911 399 HA2 GLY 60 1HA GLY 60 -7.983 1.457 -9.149 400 HA3 GLY 60 2HA GLY 60 -7.429 2.586 -7.922 401 H LEU 61 H LEU 61 -5.789 0.837 -9.487 402 HA LEU 61 HA LEU 61 -4.700 -0.868 -7.345 403 HB2 LEU 61 1HB LEU 61 -4.440 -1.390 -10.298 404 HB3 LEU 61 2HB LEU 61 -3.960 -2.450 -8.974 405 HG LEU 61 HG LEU 61 -6.835 -1.707 -9.259 406 HD11 LEU 61 1HD1 LEU 61 -7.030 -2.611 -11.273 407 HD12 LEU 61 2HD1 LEU 61 -6.463 -4.141 -10.606 408 HD13 LEU 61 3HD1 LEU 61 -5.312 -3.006 -11.309 409 HD21 LEU 61 1HD2 LEU 61 -5.330 -4.136 -8.298 410 HD22 LEU 61 2HD2 LEU 61 -7.087 -4.028 -8.402 411 HD23 LEU 61 3HD2 LEU 61 -6.200 -2.959 -7.314 412 H SER 62 H SER 62 -4.110 1.931 -8.011 413 HA SER 62 HA SER 62 -1.273 1.784 -7.889 414 HB2 SER 62 1HB SER 62 -0.872 3.145 -9.985 415 HB3 SER 62 2HB SER 62 -1.342 1.468 -10.262 416 HG SER 62 HG SER 62 -3.387 2.140 -10.795 417 H TYR 63 H TYR 63 -0.534 3.505 -6.807 418 HA TYR 63 HA TYR 63 -1.966 6.042 -6.940 419 HB2 TYR 63 1HB TYR 63 -3.019 4.876 -5.070 420 HB3 TYR 63 2HB TYR 63 -1.443 4.572 -4.348 421 HD1 TYR 63 1HD TYR 63 -3.740 7.320 -5.355 422 HD2 TYR 63 2HD TYR 63 -0.505 6.119 -2.867 423 HE1 TYR 63 1HE TYR 63 -3.896 9.450 -4.136 424 HE2 TYR 63 2HE TYR 63 -0.653 8.246 -1.639 425 HH TYR 63 HH TYR 63 -3.130 10.661 -2.439 426 H GLU 64 H GLU 64 -0.580 7.676 -7.081 427 HA GLU 64 HA GLU 64 2.243 7.172 -6.537 428 HB2 GLU 64 1HB GLU 64 1.530 8.151 -8.717 429 HB3 GLU 64 2HB GLU 64 0.958 9.570 -7.851 430 HG2 GLU 64 1HG GLU 64 3.056 10.344 -7.438 431 HG3 GLU 64 2HG GLU 64 3.770 8.733 -7.427 432 H ILE 65 H ILE 65 3.193 7.854 -4.741 433 HA ILE 65 HA ILE 65 1.805 9.832 -3.077 434 HB ILE 65 HB ILE 65 3.845 7.719 -2.433 435 HG12 ILE 65 1HG1 ILE 65 1.253 8.292 -1.018 436 HG13 ILE 65 2HG1 ILE 65 1.281 7.349 -2.503 437 HG21 ILE 65 1HG2 ILE 65 3.743 8.631 -0.081 438 HG22 ILE 65 2HG2 ILE 65 4.659 9.591 -1.241 439 HG23 ILE 65 3HG2 ILE 65 3.033 10.090 -0.771 440 HD11 ILE 65 1HD1 ILE 65 1.286 6.020 -0.390 441 HD12 ILE 65 2HD1 ILE 65 2.611 5.661 -1.498 442 HD13 ILE 65 3HD1 ILE 65 2.899 6.654 -0.069 443 H LYS 66 H LYS 66 2.745 11.718 -2.453 444 HA LYS 66 HA LYS 66 5.527 12.228 -3.216 445 HB2 LYS 66 1HB LYS 66 3.113 13.737 -4.162 446 HB3 LYS 66 2HB LYS 66 4.652 14.566 -3.974 447 HG2 LYS 66 1HG LYS 66 5.618 12.711 -5.450 448 HG3 LYS 66 2HG LYS 66 3.938 12.338 -5.847 449 HD2 LYS 66 1HD LYS 66 3.849 14.951 -6.282 450 HD3 LYS 66 2HD LYS 66 5.578 14.719 -6.543 451 HE2 LYS 66 1HE LYS 66 4.901 12.809 -8.102 452 HE3 LYS 66 2HE LYS 66 3.275 13.485 -8.025 453 HZ1 LYS 66 1HZ LYS 66 4.230 14.454 -9.895 454 HZ2 LYS 66 2HZ LYS 66 5.720 14.713 -9.137 455 HZ3 LYS 66 3HZ LYS 66 4.381 15.654 -8.711 456 H GLY 67 H GLY 67 6.030 14.647 -2.447 457 HA2 GLY 67 1HA GLY 67 6.242 16.105 -0.682 458 HA3 GLY 67 2HA GLY 67 4.659 15.573 -0.135 459 H LEU 68 H LEU 68 7.552 13.594 -0.593 460 HA LEU 68 HA LEU 68 7.370 12.822 2.230 461 HB2 LEU 68 1HB LEU 68 8.950 11.491 0.039 462 HB3 LEU 68 2HB LEU 68 8.600 10.851 1.644 463 HG LEU 68 HG LEU 68 6.503 11.364 -0.461 464 HD11 LEU 68 1HD1 LEU 68 6.897 9.378 -1.386 465 HD12 LEU 68 2HD1 LEU 68 7.082 8.593 0.182 466 HD13 LEU 68 3HD1 LEU 68 8.454 9.417 -0.558 467 HD21 LEU 68 1HD2 LEU 68 5.347 11.314 1.519 468 HD22 LEU 68 2HD2 LEU 68 6.509 10.241 2.300 469 HD23 LEU 68 3HD2 LEU 68 5.373 9.598 1.114 470 H SER 69 H SER 69 9.519 12.279 3.274 471 HA SER 69 HA SER 69 11.411 14.457 2.698 472 HB2 SER 69 1HB SER 69 10.210 14.235 4.986 473 HB3 SER 69 2HB SER 69 11.337 12.910 5.278 474 HG SER 69 HG SER 69 11.911 15.641 4.827 475 HA PRO 70 HA PRO 70 14.465 11.533 1.474 476 HB2 PRO 70 1HB PRO 70 16.685 13.034 1.912 477 HB3 PRO 70 2HB PRO 70 15.585 13.316 0.557 478 HG2 PRO 70 1HG PRO 70 15.751 14.734 3.189 479 HG3 PRO 70 2HG PRO 70 15.533 15.412 1.565 480 HD2 PRO 70 1HD PRO 70 13.474 15.070 3.290 481 HD3 PRO 70 2HD PRO 70 13.279 14.932 1.531 482 H ALA 71 H ALA 71 16.179 10.232 2.301 483 HA ALA 71 HA ALA 71 17.010 8.852 3.926 484 HB1 ALA 71 1HB ALA 71 18.363 10.003 5.617 485 HB2 ALA 71 2HB ALA 71 18.608 10.680 4.006 486 HB3 ALA 71 3HB ALA 71 17.600 11.532 5.177 487 H THR 72 H THR 72 14.342 8.839 4.176 488 HA THR 72 HA THR 72 13.973 8.733 7.084 489 HB THR 72 HB THR 72 11.908 9.870 5.190 490 HG1 THR 72 1HG THR 72 13.501 11.154 7.180 491 HG21 THR 72 1HG2 THR 72 10.447 9.396 6.806 492 HG22 THR 72 2HG2 THR 72 11.329 10.492 7.869 493 HG23 THR 72 3HG2 THR 72 11.731 8.776 7.842 494 H THR 73 H THR 73 12.930 6.953 7.791 495 HA THR 73 HA THR 73 12.433 4.829 5.941 496 HB THR 73 HB THR 73 11.585 4.803 8.829 497 HG1 THR 73 1HG THR 73 14.173 4.786 7.726 498 HG21 THR 73 1HG2 THR 73 11.756 2.880 6.707 499 HG22 THR 73 2HG2 THR 73 11.133 2.676 8.344 500 HG23 THR 73 3HG2 THR 73 12.846 2.419 8.015 501 H TYR 74 H TYR 74 10.534 4.018 5.202 502 HA TYR 74 HA TYR 74 8.030 5.171 6.197 503 HB2 TYR 74 1HB TYR 74 8.948 5.134 3.324 504 HB3 TYR 74 2HB TYR 74 7.257 5.319 3.776 505 HD1 TYR 74 1HD TYR 74 6.626 7.296 5.253 506 HD2 TYR 74 2HD TYR 74 10.391 6.985 3.296 507 HE1 TYR 74 1HE TYR 74 6.957 9.718 5.519 508 HE2 TYR 74 2HE TYR 74 10.734 9.406 3.558 509 HH TYR 74 HH TYR 74 8.937 11.305 5.623 510 H TYR 75 H TYR 75 6.112 3.949 5.454 511 HA TYR 75 HA TYR 75 6.651 1.203 4.617 512 HB2 TYR 75 1HB TYR 75 5.070 1.853 7.113 513 HB3 TYR 75 2HB TYR 75 5.359 0.248 6.450 514 HD1 TYR 75 1HD TYR 75 6.974 3.148 8.077 515 HD2 TYR 75 2HD TYR 75 7.378 -0.921 6.902 516 HE1 TYR 75 1HE TYR 75 9.023 2.968 9.426 517 HE2 TYR 75 2HE TYR 75 9.427 -1.113 8.248 518 HH TYR 75 HH TYR 75 10.632 -0.105 9.922 519 H CYS 76 H CYS 76 4.669 0.026 4.043 520 HA CYS 76 HA CYS 76 2.246 1.552 3.685 521 HB2 CYS 76 1HB CYS 76 2.217 1.727 1.376 522 HB3 CYS 76 2HB CYS 76 3.914 2.035 1.726 523 HG CYS 76 HG CYS 76 4.562 0.395 -0.156 524 H ARG 77 H ARG 77 0.475 0.265 3.570 525 HA ARG 77 HA ARG 77 0.832 -2.584 2.998 526 HB2 ARG 77 1HB ARG 77 -0.312 -3.290 4.976 527 HB3 ARG 77 2HB ARG 77 0.987 -2.214 5.474 528 HG2 ARG 77 1HG ARG 77 -0.595 -0.395 5.756 529 HG3 ARG 77 2HG ARG 77 -1.907 -1.434 5.197 530 HD2 ARG 77 1HD ARG 77 -2.047 -1.445 7.549 531 HD3 ARG 77 2HD ARG 77 -1.307 -2.984 7.109 532 HE ARG 77 HE ARG 77 0.653 -0.992 7.648 533 HH11 ARG 77 1HH1 ARG 77 -1.561 -3.208 9.166 534 HH12 ARG 77 2HH1 ARG 77 -0.630 -3.345 10.621 535 HH21 ARG 77 1HH2 ARG 77 1.887 -1.164 9.558 536 HH22 ARG 77 2HH2 ARG 77 1.330 -2.181 10.844 537 H VAL 78 H VAL 78 -0.916 -3.561 2.053 538 HA VAL 78 HA VAL 78 -3.307 -1.889 1.638 539 HB VAL 78 HB VAL 78 -1.953 -1.953 -0.412 540 HG11 VAL 78 1HG1 VAL 78 -2.254 -4.925 -0.088 541 HG12 VAL 78 2HG1 VAL 78 -1.861 -4.175 -1.635 542 HG13 VAL 78 3HG1 VAL 78 -0.773 -3.986 -0.260 543 HG21 VAL 78 1HG2 VAL 78 -3.977 -3.517 -1.574 544 HG22 VAL 78 2HG2 VAL 78 -4.694 -2.757 -0.152 545 HG23 VAL 78 3HG2 VAL 78 -3.937 -1.762 -1.396 546 H GLN 79 H GLN 79 -5.281 -2.910 1.670 547 HA GLN 79 HA GLN 79 -5.287 -5.804 2.189 548 HB2 GLN 79 1HB GLN 79 -6.579 -5.630 4.090 549 HB3 GLN 79 2HB GLN 79 -5.565 -4.202 4.246 550 HG2 GLN 79 1HG GLN 79 -7.326 -2.792 3.436 551 HG3 GLN 79 2HG GLN 79 -8.333 -4.191 3.072 552 HE21 GLN 79 1HE2 GLN 79 -8.494 -5.698 5.111 553 HE22 GLN 79 2HE2 GLN 79 -8.967 -4.879 6.558 554 H ALA 80 H ALA 80 -7.105 -6.933 1.485 555 HA ALA 80 HA ALA 80 -8.692 -5.510 -0.524 556 HB1 ALA 80 1HB ALA 80 -9.329 -7.895 -1.189 557 HB2 ALA 80 2HB ALA 80 -7.669 -7.379 -1.488 558 HB3 ALA 80 3HB ALA 80 -8.037 -8.408 -0.103 559 H LEU 81 H LEU 81 -10.722 -4.959 -0.111 560 HA LEU 81 HA LEU 81 -12.074 -6.147 2.197 561 HB2 LEU 81 1HB LEU 81 -12.607 -3.666 0.580 562 HB3 LEU 81 2HB LEU 81 -13.702 -4.258 1.828 563 HG LEU 81 HG LEU 81 -11.490 -4.110 3.295 564 HD11 LEU 81 1HD1 LEU 81 -10.037 -3.394 1.501 565 HD12 LEU 81 2HD1 LEU 81 -10.219 -2.094 2.678 566 HD13 LEU 81 3HD1 LEU 81 -11.097 -2.029 1.150 567 HD21 LEU 81 1HD2 LEU 81 -13.239 -2.935 4.154 568 HD22 LEU 81 2HD2 LEU 81 -13.602 -2.137 2.624 569 HD23 LEU 81 3HD2 LEU 81 -12.244 -1.586 3.606 570 H SER 82 H SER 82 -14.290 -6.807 2.054 571 HA SER 82 HA SER 82 -15.275 -7.388 -0.644 572 HB2 SER 82 1HB SER 82 -15.791 -9.698 -0.056 573 HB3 SER 82 2HB SER 82 -14.066 -9.399 0.160 574 HG SER 82 HG SER 82 -14.276 -9.601 2.271 575 H VAL 83 H VAL 83 -17.546 -8.644 -0.231 576 HA VAL 83 HA VAL 83 -19.127 -6.706 1.262 577 HB VAL 83 HB VAL 83 -21.078 -7.880 0.206 578 HG11 VAL 83 1HG1 VAL 83 -20.468 -7.098 -2.150 579 HG12 VAL 83 2HG1 VAL 83 -20.391 -5.905 -0.851 580 HG13 VAL 83 3HG1 VAL 83 -18.909 -6.643 -1.461 581 HG21 VAL 83 1HG2 VAL 83 -20.788 -9.883 -0.708 582 HG22 VAL 83 2HG2 VAL 83 -19.736 -9.161 -1.927 583 HG23 VAL 83 3HG2 VAL 83 -19.050 -9.785 -0.426 584 H VAL 84 H VAL 84 -17.582 -9.419 2.088 585 HA VAL 84 HA VAL 84 -19.715 -10.313 3.918 586 HB VAL 84 HB VAL 84 -18.691 -11.946 2.148 587 HG11 VAL 84 1HG1 VAL 84 -16.699 -13.040 2.716 588 HG12 VAL 84 2HG1 VAL 84 -16.344 -11.327 2.946 589 HG13 VAL 84 3HG1 VAL 84 -16.681 -12.354 4.341 590 HG21 VAL 84 1HG2 VAL 84 -18.954 -12.733 5.050 591 HG22 VAL 84 2HG2 VAL 84 -20.287 -12.561 3.908 592 HG23 VAL 84 3HG2 VAL 84 -19.073 -13.817 3.664 593 H GLY 85 H GLY 85 -16.538 -9.032 3.625 594 HA2 GLY 85 1HA GLY 85 -16.348 -8.382 6.358 595 HA3 GLY 85 2HA GLY 85 -15.395 -9.828 6.056 596 H ALA 86 H ALA 86 -13.332 -9.203 6.094 597 HA ALA 86 HA ALA 86 -12.373 -7.418 4.053 598 HB1 ALA 86 1HB ALA 86 -11.778 -5.602 5.252 599 HB2 ALA 86 2HB ALA 86 -13.102 -6.126 6.294 600 HB3 ALA 86 3HB ALA 86 -11.438 -6.539 6.707 601 H GLY 87 H GLY 87 -10.555 -8.288 3.311 602 HA2 GLY 87 1HA GLY 87 -9.266 -10.452 4.609 603 HA3 GLY 87 2HA GLY 87 -8.682 -9.612 3.180 604 HA PRO 88 HA PRO 88 -6.140 -8.647 7.090 605 HB2 PRO 88 1HB PRO 88 -3.967 -10.178 6.539 606 HB3 PRO 88 2HB PRO 88 -5.342 -10.766 7.481 607 HG2 PRO 88 1HG PRO 88 -4.703 -11.199 4.588 608 HG3 PRO 88 2HG PRO 88 -5.297 -12.361 5.790 609 HD2 PRO 88 1HD PRO 88 -6.922 -11.187 3.970 610 HD3 PRO 88 2HD PRO 88 -7.477 -11.639 5.595 611 H PHE 89 H PHE 89 -3.783 -7.842 7.021 612 HA PHE 89 HA PHE 89 -3.505 -6.204 4.619 613 HB2 PHE 89 1HB PHE 89 -2.606 -5.976 7.446 614 HB3 PHE 89 2HB PHE 89 -1.601 -5.221 6.214 615 HD1 PHE 89 2HD PHE 89 -2.931 -3.743 4.479 616 HD2 PHE 89 1HD PHE 89 -4.302 -4.748 8.381 617 HE1 PHE 89 2HE PHE 89 -4.433 -1.795 4.449 618 HE2 PHE 89 1HE PHE 89 -5.808 -2.803 8.357 619 HZ PHE 89 HZ PHE 89 -5.873 -1.322 6.389 620 H SER 90 H SER 90 -1.997 -6.560 3.128 621 HA SER 90 HA SER 90 -0.456 -8.838 2.982 622 HB2 SER 90 1HB SER 90 0.900 -7.571 1.263 623 HB3 SER 90 2HB SER 90 -0.843 -7.557 0.996 624 HG SER 90 HG SER 90 0.870 -5.488 1.608 625 H GLU 91 H GLU 91 2.100 -8.538 2.563 626 HA GLU 91 HA GLU 91 3.200 -8.151 5.171 627 HB2 GLU 91 1HB GLU 91 4.555 -8.684 2.521 628 HB3 GLU 91 2HB GLU 91 5.355 -8.725 4.086 629 HG2 GLU 91 1HG GLU 91 3.597 -10.488 4.710 630 HG3 GLU 91 2HG GLU 91 3.306 -10.600 2.974 631 H VAL 92 H VAL 92 3.701 -6.247 6.011 632 HA VAL 92 HA VAL 92 3.672 -3.793 4.845 633 HB VAL 92 HB VAL 92 5.448 -4.728 7.098 634 HG11 VAL 92 1HG1 VAL 92 4.836 -1.910 6.218 635 HG12 VAL 92 2HG1 VAL 92 5.696 -2.361 7.691 636 HG13 VAL 92 3HG1 VAL 92 6.399 -2.718 6.114 637 HG21 VAL 92 1HG2 VAL 92 3.729 -3.503 8.462 638 HG22 VAL 92 2HG2 VAL 92 2.759 -3.376 6.995 639 HG23 VAL 92 3HG2 VAL 92 3.147 -4.963 7.660 640 H VAL 93 H VAL 93 4.903 -2.642 3.492 641 HA VAL 93 HA VAL 93 7.511 -3.771 2.715 642 HB VAL 93 HB VAL 93 5.817 -1.904 1.059 643 HG11 VAL 93 1HG1 VAL 93 7.770 -1.755 -0.034 644 HG12 VAL 93 2HG1 VAL 93 8.434 -3.188 0.754 645 HG13 VAL 93 3HG1 VAL 93 7.368 -3.360 -0.642 646 HG21 VAL 93 1HG2 VAL 93 5.980 -4.913 0.894 647 HG22 VAL 93 2HG2 VAL 93 4.592 -3.987 1.464 648 HG23 VAL 93 3HG2 VAL 93 5.107 -3.858 -0.218 649 H ALA 94 H ALA 94 9.001 -2.713 3.897 650 HA ALA 94 HA ALA 94 8.761 0.089 4.514 651 HB1 ALA 94 1HB ALA 94 10.749 -0.165 5.779 652 HB2 ALA 94 2HB ALA 94 9.805 -1.636 6.024 653 HB3 ALA 94 3HB ALA 94 11.184 -1.647 4.925 654 H CYS 95 H CYS 95 10.197 1.740 3.847 655 HA CYS 95 HA CYS 95 12.118 1.270 1.766 656 HB2 CYS 95 1HB CYS 95 11.049 2.506 0.005 657 HB3 CYS 95 2HB CYS 95 9.936 1.250 0.533 658 HG CYS 95 HG CYS 95 7.966 2.847 0.858 659 H VAL 96 H VAL 96 13.710 2.681 2.043 660 HA VAL 96 HA VAL 96 13.129 5.171 3.503 661 HB VAL 96 HB VAL 96 15.821 3.845 3.183 662 HG11 VAL 96 1HG1 VAL 96 15.548 5.464 5.514 663 HG12 VAL 96 2HG1 VAL 96 16.637 5.674 4.142 664 HG13 VAL 96 3HG1 VAL 96 15.028 6.395 4.110 665 HG21 VAL 96 1HG2 VAL 96 15.204 3.482 5.783 666 HG22 VAL 96 2HG2 VAL 96 13.607 3.312 5.053 667 HG23 VAL 96 3HG2 VAL 96 14.930 2.270 4.531 668 H THR 97 H THR 97 13.000 6.896 2.238 669 HA THR 97 HA THR 97 13.920 7.022 -0.417 670 HB THR 97 HB THR 97 13.381 9.399 -0.347 671 HG1 THR 97 1HG THR 97 13.275 8.952 2.461 672 HG21 THR 97 1HG2 THR 97 11.070 8.890 1.102 673 HG22 THR 97 2HG2 THR 97 11.577 7.301 0.532 674 HG23 THR 97 3HG2 THR 97 11.308 8.607 -0.622 675 HA PRO 98 HA PRO 98 18.161 8.116 -0.061 676 HB2 PRO 98 1HB PRO 98 18.471 9.636 -2.289 677 HB3 PRO 98 2HB PRO 98 18.279 7.880 -2.344 678 HG2 PRO 98 1HG PRO 98 16.240 10.023 -2.802 679 HG3 PRO 98 2HG PRO 98 16.511 8.524 -3.709 680 HD2 PRO 98 1HD PRO 98 14.542 8.778 -1.867 681 HD3 PRO 98 2HD PRO 98 15.375 7.239 -2.168 682 HA PRO 99 HA PRO 99 18.450 12.045 1.916 683 HB2 PRO 99 1HB PRO 99 21.131 12.439 1.749 684 HB3 PRO 99 2HB PRO 99 20.400 11.269 2.854 685 HG2 PRO 99 1HG PRO 99 21.660 10.814 0.177 686 HG3 PRO 99 2HG PRO 99 21.826 9.867 1.667 687 HD2 PRO 99 1HD PRO 99 20.195 9.118 -0.360 688 HD3 PRO 99 2HD PRO 99 19.827 8.767 1.341 689 H SER 100 H SER 100 18.233 14.120 1.313 690 HA SER 100 HA SER 100 18.983 14.826 -1.438 691 HB2 SER 100 1HB SER 100 16.593 15.061 -0.844 692 HB3 SER 100 2HB SER 100 17.033 16.200 0.428 693 HG SER 100 HG SER 100 17.519 17.693 -1.048 694 H SER 101 H SER 101 18.875 16.288 1.811 695 HA SER 101 HA SER 101 20.123 18.625 1.538 696 HB2 SER 101 1HB SER 101 19.528 17.645 3.725 697 HB3 SER 101 2HB SER 101 20.925 16.573 3.616 698 HG SER 101 HG SER 101 22.065 18.756 3.299 699 H GLY 102 H GLY 102 21.937 19.407 0.686 700 HA2 GLY 102 1HA GLY 102 24.402 19.247 0.645 701 HA3 GLY 102 2HA GLY 102 24.194 17.539 0.288 702 HA PRO 103 HA PRO 103 24.911 19.642 -3.741 703 HB2 PRO 103 1HB PRO 103 26.454 17.649 -4.751 704 HB3 PRO 103 2HB PRO 103 27.100 18.945 -3.737 705 HG2 PRO 103 1HG PRO 103 26.346 16.148 -2.983 706 HG3 PRO 103 2HG PRO 103 27.767 17.092 -2.500 707 HD2 PRO 103 1HD PRO 103 25.611 16.780 -0.893 708 HD3 PRO 103 2HD PRO 103 26.604 18.252 -0.882 709 H SER 104 H SER 104 23.991 19.189 -5.736 710 HA SER 104 HA SER 104 21.824 17.330 -5.725 711 HB2 SER 104 1HB SER 104 22.959 19.164 -7.837 712 HB3 SER 104 2HB SER 104 21.595 18.092 -8.153 713 HG SER 104 HG SER 104 20.396 19.179 -6.645 714 H SER 105 H SER 105 21.498 15.552 -7.122 715 HA SER 105 HA SER 105 23.533 13.706 -7.273 716 HB2 SER 105 1HB SER 105 21.285 12.949 -7.518 717 HB3 SER 105 2HB SER 105 21.021 13.974 -8.928 718 HG SER 105 HG SER 105 21.726 12.390 -10.095 719 H GLY 106 H GLY 106 22.475 15.994 -9.765 720 HA2 GLY 106 1HA GLY 106 24.747 16.728 -10.916 721 HA3 GLY 106 2HA GLY 106 24.601 15.097 -11.553 Start of MODEL 18 1 H1 GLY 1 H GLY 1 -1.938 -20.507 12.638 2 HA2 GLY 1 1HA GLY 1 -0.523 -18.207 12.516 3 HA3 GLY 1 2HA GLY 1 -0.684 -18.640 10.821 4 H SER 2 H SER 2 -2.438 -17.957 9.779 5 HA SER 2 HA SER 2 -4.577 -16.731 11.359 6 HB2 SER 2 1HB SER 2 -5.134 -15.465 9.421 7 HB3 SER 2 2HB SER 2 -3.372 -15.468 9.504 8 HG SER 2 HG SER 2 -3.797 -17.512 8.089 9 H SER 3 H SER 3 -6.817 -16.909 10.364 10 HA SER 3 HA SER 3 -7.369 -19.385 8.968 11 HB2 SER 3 1HB SER 3 -7.216 -19.726 11.593 12 HB3 SER 3 2HB SER 3 -8.848 -19.058 11.545 13 HG SER 3 HG SER 3 -9.487 -20.737 10.246 14 H GLY 4 H GLY 4 -9.598 -19.566 8.287 15 HA2 GLY 4 1HA GLY 4 -11.736 -17.996 8.732 16 HA3 GLY 4 2HA GLY 4 -10.733 -16.956 7.732 17 H SER 5 H SER 5 -13.381 -18.415 7.346 18 HA SER 5 HA SER 5 -12.677 -19.924 4.921 19 HB2 SER 5 1HB SER 5 -15.148 -19.983 6.660 20 HB3 SER 5 2HB SER 5 -15.045 -20.800 5.100 21 HG SER 5 HG SER 5 -14.457 -22.297 6.594 22 H SER 6 H SER 6 -14.894 -17.458 6.171 23 HA SER 6 HA SER 6 -15.798 -16.810 3.484 24 HB2 SER 6 1HB SER 6 -17.275 -15.182 4.633 25 HB3 SER 6 2HB SER 6 -17.460 -16.817 5.268 26 HG SER 6 HG SER 6 -17.279 -15.138 6.889 27 H GLY 7 H GLY 7 -14.495 -15.602 2.270 28 HA2 GLY 7 1HA GLY 7 -13.922 -13.103 2.177 29 HA3 GLY 7 2HA GLY 7 -12.925 -13.477 3.575 30 HA PRO 8 HA PRO 8 -10.708 -14.212 -0.584 31 HB2 PRO 8 1HB PRO 8 -9.185 -11.965 -0.643 32 HB3 PRO 8 2HB PRO 8 -10.784 -12.062 -1.390 33 HG2 PRO 8 1HG PRO 8 -9.996 -10.904 1.255 34 HG3 PRO 8 2HG PRO 8 -11.112 -10.256 0.040 35 HD2 PRO 8 1HD PRO 8 -11.966 -11.545 2.262 36 HD3 PRO 8 2HD PRO 8 -12.842 -11.620 0.719 37 H ASP 9 H ASP 9 -8.295 -14.333 -0.840 38 HA ASP 9 HA ASP 9 -7.142 -15.334 1.616 39 HB2 ASP 9 1HB ASP 9 -5.327 -16.144 0.206 40 HB3 ASP 9 2HB ASP 9 -6.880 -16.570 -0.506 41 H GLN 10 H GLN 10 -4.948 -14.748 2.288 42 HA GLN 10 HA GLN 10 -4.618 -12.143 2.977 43 HB2 GLN 10 1HB GLN 10 -3.254 -14.084 3.787 44 HB3 GLN 10 2HB GLN 10 -2.317 -13.981 2.302 45 HG2 GLN 10 1HG GLN 10 -1.861 -11.557 2.976 46 HG3 GLN 10 2HG GLN 10 -2.453 -12.029 4.567 47 HE21 GLN 10 1HE2 GLN 10 0.216 -11.173 3.655 48 HE22 GLN 10 2HE2 GLN 10 1.295 -12.432 4.139 49 H CYS 11 H CYS 11 -3.771 -10.302 2.125 50 HA CYS 11 HA CYS 11 -3.549 -10.175 -0.743 51 HB2 CYS 11 1HB CYS 11 -3.650 -8.212 1.491 52 HB3 CYS 11 2HB CYS 11 -2.892 -7.690 -0.009 53 HG CYS 11 HG CYS 11 -5.879 -9.170 -0.395 54 H LYS 12 H LYS 12 -1.738 -9.394 -1.912 55 HA LYS 12 HA LYS 12 0.792 -10.254 -0.764 56 HB2 LYS 12 1HB LYS 12 -0.060 -9.471 -3.549 57 HB3 LYS 12 2HB LYS 12 1.621 -9.776 -3.131 58 HG2 LYS 12 1HG LYS 12 0.741 -12.040 -2.243 59 HG3 LYS 12 2HG LYS 12 -0.674 -11.686 -3.235 60 HD2 LYS 12 1HD LYS 12 2.077 -11.485 -4.399 61 HD3 LYS 12 2HD LYS 12 1.285 -13.057 -4.249 62 HE2 LYS 12 1HE LYS 12 -0.606 -12.231 -5.554 63 HE3 LYS 12 2HE LYS 12 0.163 -10.650 -5.683 64 HZ1 LYS 12 1HZ LYS 12 1.812 -12.849 -6.560 65 HZ2 LYS 12 2HZ LYS 12 1.514 -11.357 -7.299 66 HZ3 LYS 12 3HZ LYS 12 0.413 -12.628 -7.486 67 HA PRO 13 HA PRO 13 2.378 -6.253 0.115 68 HB2 PRO 13 1HB PRO 13 5.023 -6.641 -0.358 69 HB3 PRO 13 2HB PRO 13 4.189 -7.315 1.047 70 HG2 PRO 13 1HG PRO 13 4.913 -8.636 -1.539 71 HG3 PRO 13 2HG PRO 13 5.050 -9.263 0.113 72 HD2 PRO 13 1HD PRO 13 3.018 -9.948 -1.541 73 HD3 PRO 13 2HD PRO 13 2.818 -9.827 0.219 74 HA PRO 14 HA PRO 14 2.437 -4.239 -3.855 75 HB2 PRO 14 1HB PRO 14 2.713 -1.710 -2.906 76 HB3 PRO 14 2HB PRO 14 1.181 -2.592 -2.859 77 HG2 PRO 14 1HG PRO 14 3.200 -2.185 -0.686 78 HG3 PRO 14 2HG PRO 14 1.431 -2.093 -0.602 79 HD2 PRO 14 1HD PRO 14 2.818 -4.266 0.225 80 HD3 PRO 14 2HD PRO 14 1.192 -4.382 -0.478 81 H GLN 15 H GLN 15 3.912 -3.078 -5.173 82 HA GLN 15 HA GLN 15 6.687 -3.305 -4.264 83 HB2 GLN 15 1HB GLN 15 6.060 -4.459 -6.354 84 HB3 GLN 15 2HB GLN 15 5.592 -2.916 -7.055 85 HG2 GLN 15 1HG GLN 15 8.014 -2.202 -6.544 86 HG3 GLN 15 2HG GLN 15 8.323 -3.932 -6.391 87 HE21 GLN 15 1HE2 GLN 15 9.676 -3.962 -8.174 88 HE22 GLN 15 2HE2 GLN 15 9.083 -3.818 -9.789 89 H VAL 16 H VAL 16 7.629 -1.532 -3.522 90 HA VAL 16 HA VAL 16 6.584 1.091 -4.206 91 HB VAL 16 HB VAL 16 8.501 1.813 -2.609 92 HG11 VAL 16 1HG1 VAL 16 7.058 1.615 -0.749 93 HG12 VAL 16 2HG1 VAL 16 6.009 1.728 -2.164 94 HG13 VAL 16 3HG1 VAL 16 6.295 0.164 -1.400 95 HG21 VAL 16 1HG2 VAL 16 9.364 0.186 -1.131 96 HG22 VAL 16 2HG2 VAL 16 8.250 -1.050 -1.718 97 HG23 VAL 16 3HG2 VAL 16 9.564 -0.485 -2.750 98 H THR 17 H THR 17 7.721 2.712 -5.241 99 HA THR 17 HA THR 17 10.361 2.074 -6.330 100 HB THR 17 HB THR 17 8.079 3.036 -8.064 101 HG1 THR 17 1HG THR 17 9.427 0.588 -8.421 102 HG21 THR 17 1HG2 THR 17 9.845 3.902 -9.197 103 HG22 THR 17 2HG2 THR 17 9.998 2.242 -9.774 104 HG23 THR 17 3HG2 THR 17 11.002 2.810 -8.440 105 H CYS 18 H CYS 18 11.520 3.674 -5.441 106 HA CYS 18 HA CYS 18 10.482 6.273 -4.915 107 HB2 CYS 18 1HB CYS 18 12.772 6.833 -4.251 108 HB3 CYS 18 2HB CYS 18 12.282 5.291 -3.562 109 HG CYS 18 HG CYS 18 14.398 5.758 -6.209 110 H ARG 19 H ARG 19 10.216 7.883 -6.298 111 HA ARG 19 HA ARG 19 11.556 7.769 -8.895 112 HB2 ARG 19 1HB ARG 19 9.264 9.471 -7.899 113 HB3 ARG 19 2HB ARG 19 9.941 9.566 -9.519 114 HG2 ARG 19 1HG ARG 19 8.927 6.961 -8.467 115 HG3 ARG 19 2HG ARG 19 7.809 8.167 -9.108 116 HD2 ARG 19 1HD ARG 19 8.281 6.856 -10.963 117 HD3 ARG 19 2HD ARG 19 9.390 8.215 -11.146 118 HE ARG 19 HE ARG 19 10.628 6.104 -9.724 119 HH11 ARG 19 1HH1 ARG 19 9.623 7.044 -12.922 120 HH12 ARG 19 2HH1 ARG 19 10.824 6.085 -13.723 121 HH21 ARG 19 1HH2 ARG 19 12.214 4.838 -10.766 122 HH22 ARG 19 2HH2 ARG 19 12.297 4.831 -12.495 123 H SER 20 H SER 20 11.368 9.704 -5.992 124 HA SER 20 HA SER 20 13.793 11.082 -6.694 125 HB2 SER 20 1HB SER 20 11.748 12.348 -7.742 126 HB3 SER 20 2HB SER 20 11.487 12.901 -6.088 127 HG SER 20 HG SER 20 12.931 14.166 -7.604 128 H ALA 21 H ALA 21 14.475 12.589 -4.917 129 HA ALA 21 HA ALA 21 14.550 11.323 -2.473 130 HB1 ALA 21 1HB ALA 21 15.140 14.073 -3.402 131 HB2 ALA 21 2HB ALA 21 14.999 13.820 -1.662 132 HB3 ALA 21 3HB ALA 21 16.179 12.900 -2.594 133 H THR 22 H THR 22 12.200 13.638 -3.675 134 HA THR 22 HA THR 22 10.675 13.312 -1.172 135 HB THR 22 HB THR 22 9.717 15.483 -1.463 136 HG1 THR 22 1HG THR 22 11.179 15.677 -3.904 137 HG21 THR 22 1HG2 THR 22 11.523 16.409 -0.546 138 HG22 THR 22 2HG2 THR 22 12.286 16.536 -2.130 139 HG23 THR 22 3HG2 THR 22 12.503 15.079 -1.161 140 H CYS 23 H CYS 23 10.648 11.621 -3.589 141 HA CYS 23 HA CYS 23 7.771 11.799 -4.121 142 HB2 CYS 23 1HB CYS 23 9.879 11.359 -6.248 143 HB3 CYS 23 2HB CYS 23 8.139 11.272 -6.501 144 HG CYS 23 HG CYS 23 7.739 13.786 -6.888 145 H ALA 24 H ALA 24 6.758 9.817 -4.586 146 HA ALA 24 HA ALA 24 8.285 7.376 -4.661 147 HB1 ALA 24 1HB ALA 24 7.697 6.447 -2.615 148 HB2 ALA 24 2HB ALA 24 8.087 8.116 -2.198 149 HB3 ALA 24 3HB ALA 24 6.403 7.614 -2.346 150 H GLN 25 H GLN 25 7.024 5.544 -5.199 151 HA GLN 25 HA GLN 25 4.200 6.056 -5.812 152 HB2 GLN 25 1HB GLN 25 5.589 6.420 -7.857 153 HB3 GLN 25 2HB GLN 25 6.122 4.748 -7.742 154 HG2 GLN 25 1HG GLN 25 4.433 4.505 -9.234 155 HG3 GLN 25 2HG GLN 25 3.531 4.280 -7.736 156 HE21 GLN 25 1HE2 GLN 25 1.581 5.029 -8.340 157 HE22 GLN 25 2HE2 GLN 25 1.274 6.646 -8.863 158 H VAL 26 H VAL 26 2.854 4.342 -5.522 159 HA VAL 26 HA VAL 26 4.104 1.830 -4.616 160 HB VAL 26 HB VAL 26 1.401 2.892 -3.785 161 HG11 VAL 26 1HG1 VAL 26 1.635 0.453 -3.704 162 HG12 VAL 26 2HG1 VAL 26 3.067 0.628 -2.689 163 HG13 VAL 26 3HG1 VAL 26 1.492 1.149 -2.090 164 HG21 VAL 26 1HG2 VAL 26 4.119 3.261 -2.629 165 HG22 VAL 26 2HG2 VAL 26 2.761 4.383 -2.701 166 HG23 VAL 26 3HG2 VAL 26 2.754 3.066 -1.529 167 H ASN 27 H ASN 27 3.030 -0.142 -5.122 168 HA ASN 27 HA ASN 27 0.877 -0.063 -7.076 169 HB2 ASN 27 1HB ASN 27 3.379 -1.600 -7.754 170 HB3 ASN 27 2HB ASN 27 2.018 -1.208 -8.801 171 HD21 ASN 27 1HD2 ASN 27 1.947 0.738 -9.823 172 HD22 ASN 27 2HD2 ASN 27 3.243 1.881 -9.788 173 H TRP 28 H TRP 28 -0.542 -1.594 -6.589 174 HA TRP 28 HA TRP 28 0.424 -4.053 -5.287 175 HB2 TRP 28 1HB TRP 28 -1.508 -4.065 -3.827 176 HB3 TRP 28 2HB TRP 28 -0.664 -2.530 -3.648 177 HD1 TRP 28 HD TRP 28 -3.830 -3.987 -5.310 178 HE1 TRP 28 1HE TRP 28 -5.550 -2.089 -5.559 179 HE3 TRP 28 3HE TRP 28 -0.955 -0.074 -3.711 180 HZ2 TRP 28 2HZ TRP 28 -5.672 0.700 -5.134 181 HZ3 TRP 28 3HZ TRP 28 -1.950 2.177 -3.662 182 HH2 TRP 28 HH TRP 28 -4.259 2.554 -4.361 183 H GLU 29 H GLU 29 -1.655 -5.634 -5.215 184 HA GLU 29 HA GLU 29 -3.222 -5.526 -7.638 185 HB2 GLU 29 1HB GLU 29 -0.923 -7.415 -7.302 186 HB3 GLU 29 2HB GLU 29 -2.347 -7.932 -8.195 187 HG2 GLU 29 1HG GLU 29 -2.068 -5.913 -9.642 188 HG3 GLU 29 2HG GLU 29 -0.534 -5.618 -8.826 189 H VAL 30 H VAL 30 -4.682 -7.450 -7.812 190 HA VAL 30 HA VAL 30 -5.769 -8.035 -5.199 191 HB VAL 30 HB VAL 30 -6.764 -9.009 -7.877 192 HG11 VAL 30 1HG1 VAL 30 -7.571 -10.134 -5.767 193 HG12 VAL 30 2HG1 VAL 30 -8.309 -8.592 -5.329 194 HG13 VAL 30 3HG1 VAL 30 -8.823 -9.435 -6.791 195 HG21 VAL 30 1HG2 VAL 30 -7.108 -6.400 -6.469 196 HG22 VAL 30 2HG2 VAL 30 -6.885 -6.730 -8.188 197 HG23 VAL 30 3HG2 VAL 30 -8.441 -7.050 -7.423 198 HA PRO 31 HA PRO 31 -3.807 -11.962 -4.731 199 HB2 PRO 31 1HB PRO 31 -5.439 -12.968 -2.808 200 HB3 PRO 31 2HB PRO 31 -4.227 -11.723 -2.485 201 HG2 PRO 31 1HG PRO 31 -7.172 -11.430 -2.933 202 HG3 PRO 31 2HG PRO 31 -6.140 -10.635 -1.731 203 HD2 PRO 31 1HD PRO 31 -6.930 -9.407 -4.011 204 HD3 PRO 31 2HD PRO 31 -5.365 -9.076 -3.242 205 H LEU 32 H LEU 32 -4.984 -14.321 -4.110 206 HA LEU 32 HA LEU 32 -6.530 -14.892 -6.532 207 HB2 LEU 32 1HB LEU 32 -4.403 -16.127 -6.018 208 HB3 LEU 32 2HB LEU 32 -5.238 -16.853 -4.646 209 HG LEU 32 HG LEU 32 -6.917 -17.739 -6.356 210 HD11 LEU 32 1HD1 LEU 32 -6.321 -17.841 -8.617 211 HD12 LEU 32 2HD1 LEU 32 -4.671 -17.308 -8.299 212 HD13 LEU 32 3HD1 LEU 32 -6.009 -16.169 -8.150 213 HD21 LEU 32 1HD2 LEU 32 -5.672 -19.433 -5.503 214 HD22 LEU 32 2HD2 LEU 32 -4.138 -18.643 -5.868 215 HD23 LEU 32 3HD2 LEU 32 -5.040 -19.456 -7.149 216 H SER 33 H SER 33 -8.134 -13.662 -4.836 217 HA SER 33 HA SER 33 -9.429 -15.443 -2.991 218 HB2 SER 33 1HB SER 33 -11.066 -13.603 -2.733 219 HB3 SER 33 2HB SER 33 -9.405 -13.040 -2.555 220 HG SER 33 HG SER 33 -11.258 -12.209 -4.277 221 H ASN 34 H ASN 34 -9.849 -17.191 -4.504 222 HA ASN 34 HA ASN 34 -11.497 -16.950 -6.760 223 HB2 ASN 34 1HB ASN 34 -12.003 -19.474 -6.074 224 HB3 ASN 34 2HB ASN 34 -10.451 -18.989 -6.750 225 HD21 ASN 34 1HD2 ASN 34 -11.863 -18.657 -3.516 226 HD22 ASN 34 2HD2 ASN 34 -10.584 -19.471 -2.687 227 H GLY 35 H GLY 35 -13.240 -15.593 -6.224 228 HA2 GLY 35 1HA GLY 35 -15.656 -16.735 -5.667 229 HA3 GLY 35 2HA GLY 35 -15.044 -16.264 -4.089 230 H THR 36 H THR 36 -15.485 -14.272 -3.411 231 HA THR 36 HA THR 36 -16.973 -12.486 -5.083 232 HB THR 36 HB THR 36 -17.481 -12.637 -2.701 233 HG1 THR 36 1HG THR 36 -18.073 -10.665 -3.342 234 HG21 THR 36 1HG2 THR 36 -15.930 -12.586 -1.096 235 HG22 THR 36 2HG2 THR 36 -15.267 -11.067 -1.698 236 HG23 THR 36 3HG2 THR 36 -14.713 -12.600 -2.371 237 H ASP 37 H ASP 37 -16.409 -10.318 -5.619 238 HA ASP 37 HA ASP 37 -13.553 -10.014 -6.169 239 HB2 ASP 37 1HB ASP 37 -16.011 -8.654 -7.272 240 HB3 ASP 37 2HB ASP 37 -14.378 -8.095 -7.628 241 H VAL 38 H VAL 38 -12.318 -8.392 -5.363 242 HA VAL 38 HA VAL 38 -12.952 -7.196 -2.941 243 HB VAL 38 HB VAL 38 -10.938 -6.297 -5.004 244 HG11 VAL 38 1HG1 VAL 38 -9.844 -5.315 -2.877 245 HG12 VAL 38 2HG1 VAL 38 -11.163 -4.428 -3.644 246 HG13 VAL 38 3HG1 VAL 38 -11.470 -5.393 -2.200 247 HG21 VAL 38 1HG2 VAL 38 -10.573 -8.570 -4.215 248 HG22 VAL 38 2HG2 VAL 38 -9.327 -7.491 -3.589 249 HG23 VAL 38 3HG2 VAL 38 -10.646 -8.017 -2.542 250 H THR 39 H THR 39 -14.078 -5.454 -2.357 251 HA THR 39 HA THR 39 -15.427 -3.900 -4.387 252 HB THR 39 HB THR 39 -16.346 -2.695 -2.274 253 HG1 THR 39 1HG THR 39 -15.885 -3.592 -0.379 254 HG21 THR 39 1HG2 THR 39 -16.909 -5.536 -3.074 255 HG22 THR 39 2HG2 THR 39 -17.824 -4.078 -3.456 256 HG23 THR 39 3HG2 THR 39 -17.848 -4.731 -1.818 257 H GLU 40 H GLU 40 -13.054 -3.317 -1.817 258 HA GLU 40 HA GLU 40 -12.016 -1.046 -3.276 259 HB2 GLU 40 1HB GLU 40 -12.475 0.636 -1.755 260 HB3 GLU 40 2HB GLU 40 -13.964 -0.297 -1.713 261 HG2 GLU 40 1HG GLU 40 -12.755 -1.538 0.257 262 HG3 GLU 40 2HG GLU 40 -11.825 -0.042 0.335 263 H TYR 41 H TYR 41 -10.023 -0.195 -2.295 264 HA TYR 41 HA TYR 41 -8.698 -2.195 -0.582 265 HB2 TYR 41 1HB TYR 41 -7.372 -0.623 -2.799 266 HB3 TYR 41 2HB TYR 41 -6.651 -1.902 -1.829 267 HD1 TYR 41 1HD TYR 41 -9.618 -1.392 -4.050 268 HD2 TYR 41 2HD TYR 41 -6.491 -3.988 -2.794 269 HE1 TYR 41 1HE TYR 41 -10.334 -3.051 -5.719 270 HE2 TYR 41 2HE TYR 41 -7.196 -5.654 -4.459 271 HH TYR 41 HH TYR 41 -9.877 -5.000 -6.692 272 H ARG 42 H ARG 42 -8.118 -1.367 1.302 273 HA ARG 42 HA ARG 42 -7.833 1.522 1.589 274 HB2 ARG 42 1HB ARG 42 -8.181 -0.754 3.513 275 HB3 ARG 42 2HB ARG 42 -7.595 0.805 4.079 276 HG2 ARG 42 1HG ARG 42 -9.603 1.893 3.354 277 HG3 ARG 42 2HG ARG 42 -10.173 0.414 2.578 278 HD2 ARG 42 1HD ARG 42 -10.165 -0.680 4.817 279 HD3 ARG 42 2HD ARG 42 -9.770 0.884 5.527 280 HE ARG 42 HE ARG 42 -12.063 1.181 3.953 281 HH11 ARG 42 1HH1 ARG 42 -11.040 -0.393 6.885 282 HH12 ARG 42 2HH1 ARG 42 -12.606 -0.328 7.621 283 HH21 ARG 42 1HH2 ARG 42 -14.131 1.273 4.912 284 HH22 ARG 42 2HH2 ARG 42 -14.364 0.619 6.498 285 H LEU 43 H LEU 43 -5.856 2.183 0.961 286 HA LEU 43 HA LEU 43 -3.504 0.655 1.799 287 HB2 LEU 43 1HB LEU 43 -3.452 1.190 -0.499 288 HB3 LEU 43 2HB LEU 43 -3.931 2.858 -0.197 289 HG LEU 43 HG LEU 43 -1.659 3.053 1.018 290 HD11 LEU 43 1HD1 LEU 43 -0.739 0.982 1.198 291 HD12 LEU 43 2HD1 LEU 43 -0.045 1.458 -0.351 292 HD13 LEU 43 3HD1 LEU 43 -1.458 0.406 -0.305 293 HD21 LEU 43 1HD2 LEU 43 -0.812 2.833 -1.679 294 HD22 LEU 43 2HD2 LEU 43 -1.252 4.285 -0.779 295 HD23 LEU 43 3HD2 LEU 43 -2.483 3.399 -1.679 296 H GLU 44 H GLU 44 -2.297 1.269 3.466 297 HA GLU 44 HA GLU 44 -2.714 3.964 4.568 298 HB2 GLU 44 1HB GLU 44 -1.769 1.418 5.890 299 HB3 GLU 44 2HB GLU 44 -1.788 2.986 6.683 300 HG2 GLU 44 1HG GLU 44 -3.752 2.065 7.419 301 HG3 GLU 44 2HG GLU 44 -4.298 2.998 6.027 302 H TRP 45 H TRP 45 -0.953 5.228 5.188 303 HA TRP 45 HA TRP 45 1.732 4.273 4.593 304 HB2 TRP 45 1HB TRP 45 0.970 5.192 2.453 305 HB3 TRP 45 2HB TRP 45 0.544 6.707 3.243 306 HD1 TRP 45 HD TRP 45 2.851 7.844 4.593 307 HE1 TRP 45 1HE TRP 45 5.179 8.182 3.550 308 HE3 TRP 45 3HE TRP 45 2.530 4.458 0.777 309 HZ2 TRP 45 2HZ TRP 45 6.681 7.150 1.394 310 HZ3 TRP 45 3HZ TRP 45 4.456 4.194 -0.732 311 HH2 TRP 45 HH TRP 45 6.488 5.514 -0.428 312 H GLY 46 H GLY 46 2.632 4.627 6.532 313 HA2 GLY 46 1HA GLY 46 2.381 7.347 7.657 314 HA3 GLY 46 2HA GLY 46 2.333 5.916 8.675 315 H GLY 47 H GLY 47 4.247 8.381 7.862 316 HA2 GLY 47 1HA GLY 47 6.693 7.693 7.058 317 HA3 GLY 47 2HA GLY 47 6.471 8.698 8.483 318 H VAL 48 H VAL 48 5.447 6.871 10.281 319 HA VAL 48 HA VAL 48 7.686 4.973 10.557 320 HB VAL 48 HB VAL 48 6.246 6.613 12.623 321 HG11 VAL 48 1HG1 VAL 48 7.850 5.134 14.165 322 HG12 VAL 48 2HG1 VAL 48 6.170 4.700 13.842 323 HG13 VAL 48 3HG1 VAL 48 7.471 3.936 12.929 324 HG21 VAL 48 1HG2 VAL 48 8.822 6.723 13.291 325 HG22 VAL 48 2HG2 VAL 48 9.009 6.366 11.574 326 HG23 VAL 48 3HG2 VAL 48 8.114 7.796 12.085 327 H GLU 49 H GLU 49 7.205 2.878 10.731 328 HA GLU 49 HA GLU 49 4.786 1.760 10.174 329 HB2 GLU 49 1HB GLU 49 5.617 -0.318 11.076 330 HB3 GLU 49 2HB GLU 49 6.940 0.531 10.292 331 HG2 GLU 49 1HG GLU 49 7.997 1.007 12.279 332 HG3 GLU 49 2HG GLU 49 6.515 0.863 13.222 333 H GLY 50 H GLY 50 5.923 2.909 13.283 334 HA2 GLY 50 1HA GLY 50 3.996 1.703 14.933 335 HA3 GLY 50 2HA GLY 50 4.854 3.193 15.294 336 H SER 51 H SER 51 3.875 4.650 13.010 337 HA SER 51 HA SER 51 1.046 4.946 13.784 338 HB2 SER 51 1HB SER 51 2.180 6.856 14.637 339 HB3 SER 51 2HB SER 51 3.117 7.052 13.156 340 HG SER 51 HG SER 51 1.209 8.474 13.498 341 H MET 52 H MET 52 0.040 3.902 12.140 342 HA MET 52 HA MET 52 0.626 4.840 9.408 343 HB2 MET 52 1HB MET 52 -0.271 2.129 10.380 344 HB3 MET 52 2HB MET 52 -0.370 2.614 8.692 345 HG2 MET 52 1HG MET 52 2.243 2.943 10.036 346 HG3 MET 52 2HG MET 52 1.706 1.298 9.705 347 HE1 MET 52 1HE MET 52 1.590 1.022 5.921 348 HE2 MET 52 2HE MET 52 2.127 0.149 7.356 349 HE3 MET 52 3HE MET 52 0.501 0.830 7.295 350 H GLN 53 H GLN 53 -1.043 5.531 8.153 351 HA GLN 53 HA GLN 53 -3.776 5.226 9.157 352 HB2 GLN 53 1HB GLN 53 -4.224 7.631 8.712 353 HB3 GLN 53 2HB GLN 53 -3.092 7.367 10.032 354 HG2 GLN 53 1HG GLN 53 -1.266 8.083 8.769 355 HG3 GLN 53 2HG GLN 53 -2.137 7.908 7.247 356 HE21 GLN 53 1HE2 GLN 53 -0.834 10.203 7.671 357 HE22 GLN 53 2HE2 GLN 53 -1.938 11.492 7.994 358 H ILE 54 H ILE 54 -5.393 6.019 7.500 359 HA ILE 54 HA ILE 54 -4.786 4.793 4.988 360 HB ILE 54 HB ILE 54 -7.221 6.337 5.882 361 HG12 ILE 54 1HG1 ILE 54 -6.664 4.152 7.043 362 HG13 ILE 54 2HG1 ILE 54 -8.242 4.219 6.267 363 HG21 ILE 54 1HG2 ILE 54 -7.481 6.496 3.625 364 HG22 ILE 54 2HG2 ILE 54 -6.502 5.066 3.300 365 HG23 ILE 54 3HG2 ILE 54 -8.161 4.886 3.870 366 HD11 ILE 54 1HD1 ILE 54 -7.654 2.723 4.640 367 HD12 ILE 54 2HD1 ILE 54 -5.935 3.105 4.755 368 HD13 ILE 54 3HD1 ILE 54 -6.707 2.129 6.004 369 H CYS 55 H CYS 55 -4.213 5.700 3.105 370 HA CYS 55 HA CYS 55 -4.112 8.643 2.982 371 HB2 CYS 55 1HB CYS 55 -2.144 6.554 2.180 372 HB3 CYS 55 2HB CYS 55 -2.248 8.004 1.188 373 HG CYS 55 HG CYS 55 -1.799 9.716 3.436 374 H TYR 56 H TYR 56 -4.761 5.665 1.237 375 HA TYR 56 HA TYR 56 -6.368 7.192 -0.673 376 HB2 TYR 56 1HB TYR 56 -4.369 6.943 -1.923 377 HB3 TYR 56 2HB TYR 56 -4.148 5.282 -1.388 378 HD1 TYR 56 2HD TYR 56 -5.564 3.482 -2.322 379 HD2 TYR 56 1HD TYR 56 -5.770 7.470 -3.790 380 HE1 TYR 56 2HE TYR 56 -6.714 2.674 -4.340 381 HE2 TYR 56 1HE TYR 56 -6.921 6.673 -5.812 382 HH TYR 56 HH TYR 56 -7.187 4.636 -7.097 383 H CYS 57 H CYS 57 -8.212 6.182 -1.306 384 HA CYS 57 HA CYS 57 -8.571 3.359 -0.601 385 HB2 CYS 57 1HB CYS 57 -10.445 3.694 0.696 386 HB3 CYS 57 2HB CYS 57 -9.518 5.132 1.108 387 HG CYS 57 HG CYS 57 -11.120 6.209 -1.361 388 H GLY 58 H GLY 58 -9.535 2.210 -2.157 389 HA2 GLY 58 1HA GLY 58 -11.659 2.716 -3.725 390 HA3 GLY 58 2HA GLY 58 -10.383 3.587 -4.565 391 HA PRO 59 HA PRO 59 -10.547 -0.989 -5.781 392 HB2 PRO 59 1HB PRO 59 -11.438 -0.644 -8.322 393 HB3 PRO 59 2HB PRO 59 -12.523 -0.879 -6.947 394 HG2 PRO 59 1HG PRO 59 -11.726 1.659 -8.318 395 HG3 PRO 59 2HG PRO 59 -13.328 1.147 -7.758 396 HD2 PRO 59 1HD PRO 59 -11.780 2.876 -6.363 397 HD3 PRO 59 2HD PRO 59 -12.890 1.738 -5.573 398 H GLY 60 H GLY 60 -9.194 1.958 -6.860 399 HA2 GLY 60 1HA GLY 60 -7.705 1.396 -9.071 400 HA3 GLY 60 2HA GLY 60 -7.109 2.387 -7.748 401 H LEU 61 H LEU 61 -5.295 1.013 -9.184 402 HA LEU 61 HA LEU 61 -4.447 -1.072 -7.294 403 HB2 LEU 61 1HB LEU 61 -4.063 -1.227 -10.277 404 HB3 LEU 61 2HB LEU 61 -3.614 -2.443 -9.084 405 HG LEU 61 HG LEU 61 -6.462 -1.630 -9.636 406 HD11 LEU 61 1HD1 LEU 61 -5.816 -2.548 -11.673 407 HD12 LEU 61 2HD1 LEU 61 -6.480 -3.925 -10.795 408 HD13 LEU 61 3HD1 LEU 61 -4.733 -3.716 -10.916 409 HD21 LEU 61 1HD2 LEU 61 -6.611 -4.103 -8.676 410 HD22 LEU 61 2HD2 LEU 61 -6.585 -2.685 -7.627 411 HD23 LEU 61 3HD2 LEU 61 -5.108 -3.612 -7.895 412 H SER 62 H SER 62 -3.801 1.847 -7.891 413 HA SER 62 HA SER 62 -1.008 1.665 -7.388 414 HB2 SER 62 1HB SER 62 -1.927 2.385 -10.152 415 HB3 SER 62 2HB SER 62 -0.467 3.122 -9.494 416 HG SER 62 HG SER 62 0.059 0.776 -8.981 417 H TYR 63 H TYR 63 -0.157 3.585 -6.616 418 HA TYR 63 HA TYR 63 -1.818 5.985 -6.739 419 HB2 TYR 63 1HB TYR 63 -2.493 4.774 -4.688 420 HB3 TYR 63 2HB TYR 63 -0.823 4.810 -4.134 421 HD1 TYR 63 1HD TYR 63 -3.499 7.151 -5.288 422 HD2 TYR 63 2HD TYR 63 -0.187 6.503 -2.698 423 HE1 TYR 63 1HE TYR 63 -3.905 9.336 -4.234 424 HE2 TYR 63 2HE TYR 63 -0.583 8.686 -1.635 425 HH TYR 63 HH TYR 63 -1.821 10.988 -2.569 426 H GLU 64 H GLU 64 -0.695 7.915 -6.450 427 HA GLU 64 HA GLU 64 2.237 7.641 -6.485 428 HB2 GLU 64 1HB GLU 64 1.166 8.528 -8.564 429 HB3 GLU 64 2HB GLU 64 0.585 9.897 -7.627 430 HG2 GLU 64 1HG GLU 64 2.843 10.601 -7.171 431 HG3 GLU 64 2HG GLU 64 3.484 9.173 -7.979 432 H ILE 65 H ILE 65 3.293 8.405 -4.787 433 HA ILE 65 HA ILE 65 1.947 10.376 -3.064 434 HB ILE 65 HB ILE 65 4.024 8.292 -2.409 435 HG12 ILE 65 1HG1 ILE 65 1.399 8.724 -1.018 436 HG13 ILE 65 2HG1 ILE 65 1.458 7.837 -2.538 437 HG21 ILE 65 1HG2 ILE 65 4.683 10.261 -1.228 438 HG22 ILE 65 2HG2 ILE 65 3.024 10.577 -0.723 439 HG23 ILE 65 3HG2 ILE 65 3.891 9.182 -0.080 440 HD11 ILE 65 1HD1 ILE 65 2.063 6.003 -1.470 441 HD12 ILE 65 2HD1 ILE 65 3.469 6.825 -0.789 442 HD13 ILE 65 3HD1 ILE 65 1.922 6.873 0.058 443 H LYS 66 H LYS 66 2.960 12.247 -2.499 444 HA LYS 66 HA LYS 66 5.736 12.669 -3.300 445 HB2 LYS 66 1HB LYS 66 3.383 14.241 -4.325 446 HB3 LYS 66 2HB LYS 66 4.998 14.932 -4.271 447 HG2 LYS 66 1HG LYS 66 5.749 12.934 -5.633 448 HG3 LYS 66 2HG LYS 66 4.036 12.586 -5.877 449 HD2 LYS 66 1HD LYS 66 5.252 15.264 -6.514 450 HD3 LYS 66 2HD LYS 66 5.194 13.946 -7.685 451 HE2 LYS 66 1HE LYS 66 2.892 14.019 -7.850 452 HE3 LYS 66 2HE LYS 66 2.699 14.767 -6.265 453 HZ1 LYS 66 1HZ LYS 66 2.987 16.822 -7.103 454 HZ2 LYS 66 2HZ LYS 66 2.481 16.103 -8.546 455 HZ3 LYS 66 3HZ LYS 66 4.130 16.334 -8.250 456 H GLY 67 H GLY 67 6.367 15.038 -2.628 457 HA2 GLY 67 1HA GLY 67 6.531 16.646 -0.981 458 HA3 GLY 67 2HA GLY 67 4.949 16.149 -0.401 459 H LEU 68 H LEU 68 7.710 14.004 -0.760 460 HA LEU 68 HA LEU 68 7.584 13.467 2.113 461 HB2 LEU 68 1HB LEU 68 9.091 11.953 -0.010 462 HB3 LEU 68 2HB LEU 68 8.765 11.432 1.642 463 HG LEU 68 HG LEU 68 6.592 11.884 -0.393 464 HD11 LEU 68 1HD1 LEU 68 7.707 10.160 -1.422 465 HD12 LEU 68 2HD1 LEU 68 6.641 9.273 -0.334 466 HD13 LEU 68 3HD1 LEU 68 8.334 9.514 0.094 467 HD21 LEU 68 1HD2 LEU 68 5.204 10.699 1.108 468 HD22 LEU 68 2HD2 LEU 68 6.079 11.880 2.082 469 HD23 LEU 68 3HD2 LEU 68 6.576 10.188 2.091 470 H SER 69 H SER 69 9.945 12.623 2.856 471 HA SER 69 HA SER 69 11.815 14.813 2.222 472 HB2 SER 69 1HB SER 69 11.078 13.572 4.860 473 HB3 SER 69 2HB SER 69 12.646 14.350 4.644 474 HG SER 69 HG SER 69 11.707 16.238 4.649 475 HA PRO 70 HA PRO 70 14.727 11.712 1.092 476 HB2 PRO 70 1HB PRO 70 17.018 13.131 1.426 477 HB3 PRO 70 2HB PRO 70 15.906 13.404 0.079 478 HG2 PRO 70 1HG PRO 70 16.184 14.924 2.643 479 HG3 PRO 70 2HG PRO 70 15.965 15.541 0.995 480 HD2 PRO 70 1HD PRO 70 13.926 15.366 2.768 481 HD3 PRO 70 2HD PRO 70 13.692 15.161 1.020 482 H ALA 71 H ALA 71 15.912 10.133 2.053 483 HA ALA 71 HA ALA 71 16.917 8.888 3.672 484 HB1 ALA 71 1HB ALA 71 18.597 9.880 4.785 485 HB2 ALA 71 2HB ALA 71 18.160 11.292 3.820 486 HB3 ALA 71 3HB ALA 71 17.547 11.125 5.466 487 H THR 72 H THR 72 14.279 8.841 3.858 488 HA THR 72 HA THR 72 13.806 8.835 6.751 489 HB THR 72 HB THR 72 11.886 9.979 4.714 490 HG1 THR 72 1HG THR 72 13.617 11.062 6.628 491 HG21 THR 72 1HG2 THR 72 10.775 8.615 6.477 492 HG22 THR 72 2HG2 THR 72 10.348 10.325 6.540 493 HG23 THR 72 3HG2 THR 72 11.506 9.663 7.692 494 H THR 73 H THR 73 12.726 7.083 7.482 495 HA THR 73 HA THR 73 12.245 4.930 5.627 496 HB THR 73 HB THR 73 11.563 4.878 8.560 497 HG1 THR 73 1HG THR 73 13.749 5.641 8.230 498 HG21 THR 73 1HG2 THR 73 12.709 2.654 6.906 499 HG22 THR 73 2HG2 THR 73 10.982 3.006 6.871 500 HG23 THR 73 3HG2 THR 73 11.760 2.561 8.389 501 H TYR 74 H TYR 74 10.303 4.010 5.084 502 HA TYR 74 HA TYR 74 7.850 5.174 6.176 503 HB2 TYR 74 1HB TYR 74 8.645 5.146 3.272 504 HB3 TYR 74 2HB TYR 74 6.957 5.216 3.764 505 HD1 TYR 74 1HD TYR 74 6.122 7.180 5.033 506 HD2 TYR 74 2HD TYR 74 10.057 7.061 3.418 507 HE1 TYR 74 1HE TYR 74 6.293 9.622 5.281 508 HE2 TYR 74 2HE TYR 74 10.237 9.502 3.662 509 HH TYR 74 HH TYR 74 8.966 11.422 3.953 510 H TYR 75 H TYR 75 5.905 3.919 5.549 511 HA TYR 75 HA TYR 75 6.428 1.166 4.730 512 HB2 TYR 75 1HB TYR 75 4.991 1.825 7.308 513 HB3 TYR 75 2HB TYR 75 5.282 0.217 6.654 514 HD1 TYR 75 1HD TYR 75 7.045 3.243 7.916 515 HD2 TYR 75 2HD TYR 75 7.222 -0.953 7.229 516 HE1 TYR 75 1HE TYR 75 9.173 3.137 9.144 517 HE2 TYR 75 2HE TYR 75 9.349 -1.069 8.456 518 HH TYR 75 HH TYR 75 10.534 0.270 10.221 519 H CYS 76 H CYS 76 4.523 0.005 4.110 520 HA CYS 76 HA CYS 76 2.030 1.493 3.934 521 HB2 CYS 76 1HB CYS 76 1.845 1.478 1.589 522 HB3 CYS 76 2HB CYS 76 3.492 2.015 1.890 523 HG CYS 76 HG CYS 76 3.312 -1.285 1.555 524 H ARG 77 H ARG 77 0.238 0.203 3.831 525 HA ARG 77 HA ARG 77 0.628 -2.677 3.451 526 HB2 ARG 77 1HB ARG 77 -0.715 -3.192 5.421 527 HB3 ARG 77 2HB ARG 77 0.707 -2.259 5.870 528 HG2 ARG 77 1HG ARG 77 -0.634 -0.249 6.051 529 HG3 ARG 77 2HG ARG 77 -2.066 -1.137 5.526 530 HD2 ARG 77 1HD ARG 77 -2.211 -2.329 7.507 531 HD3 ARG 77 2HD ARG 77 -0.513 -2.068 7.905 532 HE ARG 77 HE ARG 77 -1.686 0.424 7.929 533 HH11 ARG 77 1HH1 ARG 77 -2.107 -2.592 9.615 534 HH12 ARG 77 2HH1 ARG 77 -2.679 -1.849 11.072 535 HH21 ARG 77 1HH2 ARG 77 -2.438 1.415 9.841 536 HH22 ARG 77 2HH2 ARG 77 -2.868 0.431 11.199 537 H VAL 78 H VAL 78 -0.864 -3.541 2.161 538 HA VAL 78 HA VAL 78 -3.366 -2.040 1.729 539 HB VAL 78 HB VAL 78 -1.822 -2.035 -0.230 540 HG11 VAL 78 1HG1 VAL 78 -1.635 -4.150 -1.528 541 HG12 VAL 78 2HG1 VAL 78 -0.776 -4.183 0.012 542 HG13 VAL 78 3HG1 VAL 78 -2.328 -5.005 -0.151 543 HG21 VAL 78 1HG2 VAL 78 -3.587 -1.979 -1.614 544 HG22 VAL 78 2HG2 VAL 78 -4.059 -3.636 -1.240 545 HG23 VAL 78 3HG2 VAL 78 -4.531 -2.322 -0.164 546 H GLN 79 H GLN 79 -5.282 -3.188 1.542 547 HA GLN 79 HA GLN 79 -5.174 -6.087 1.952 548 HB2 GLN 79 1HB GLN 79 -6.590 -6.082 3.815 549 HB3 GLN 79 2HB GLN 79 -5.464 -4.772 4.143 550 HG2 GLN 79 1HG GLN 79 -7.133 -3.161 3.331 551 HG3 GLN 79 2HG GLN 79 -8.265 -4.489 3.080 552 HE21 GLN 79 1HE2 GLN 79 -8.904 -5.725 4.961 553 HE22 GLN 79 2HE2 GLN 79 -8.973 -4.948 6.502 554 H ALA 80 H ALA 80 -7.300 -7.132 1.586 555 HA ALA 80 HA ALA 80 -8.780 -5.699 -0.517 556 HB1 ALA 80 1HB ALA 80 -9.505 -8.255 -0.910 557 HB2 ALA 80 2HB ALA 80 -8.091 -7.518 -1.665 558 HB3 ALA 80 3HB ALA 80 -7.904 -8.499 -0.212 559 H LEU 81 H LEU 81 -10.738 -5.016 0.022 560 HA LEU 81 HA LEU 81 -12.117 -6.253 2.287 561 HB2 LEU 81 1HB LEU 81 -12.439 -3.643 0.841 562 HB3 LEU 81 2HB LEU 81 -13.667 -4.242 1.954 563 HG LEU 81 HG LEU 81 -11.572 -4.384 3.583 564 HD11 LEU 81 1HD1 LEU 81 -9.976 -2.669 3.241 565 HD12 LEU 81 2HD1 LEU 81 -10.859 -2.027 1.856 566 HD13 LEU 81 3HD1 LEU 81 -10.056 -3.592 1.740 567 HD21 LEU 81 1HD2 LEU 81 -12.239 -1.683 3.729 568 HD22 LEU 81 2HD2 LEU 81 -13.003 -3.016 4.594 569 HD23 LEU 81 3HD2 LEU 81 -13.664 -2.470 3.052 570 H SER 82 H SER 82 -14.029 -7.300 2.114 571 HA SER 82 HA SER 82 -15.153 -7.579 -0.596 572 HB2 SER 82 1HB SER 82 -16.008 -9.821 0.288 573 HB3 SER 82 2HB SER 82 -14.271 -9.697 0.007 574 HG SER 82 HG SER 82 -15.202 -9.012 2.540 575 H VAL 83 H VAL 83 -17.515 -8.717 -0.177 576 HA VAL 83 HA VAL 83 -18.992 -6.643 1.260 577 HB VAL 83 HB VAL 83 -20.987 -7.837 0.114 578 HG11 VAL 83 1HG1 VAL 83 -18.952 -6.379 -1.569 579 HG12 VAL 83 2HG1 VAL 83 -20.683 -6.508 -1.890 580 HG13 VAL 83 3HG1 VAL 83 -20.110 -5.614 -0.482 581 HG21 VAL 83 1HG2 VAL 83 -18.766 -8.813 -1.673 582 HG22 VAL 83 2HG2 VAL 83 -19.611 -9.834 -0.510 583 HG23 VAL 83 3HG2 VAL 83 -20.496 -9.107 -1.850 584 H VAL 84 H VAL 84 -17.831 -9.693 1.848 585 HA VAL 84 HA VAL 84 -20.009 -10.295 3.743 586 HB VAL 84 HB VAL 84 -19.563 -11.982 1.891 587 HG11 VAL 84 1HG1 VAL 84 -17.045 -12.327 3.507 588 HG12 VAL 84 2HG1 VAL 84 -17.666 -13.555 2.401 589 HG13 VAL 84 3HG1 VAL 84 -17.189 -11.971 1.785 590 HG21 VAL 84 1HG2 VAL 84 -19.322 -12.893 4.757 591 HG22 VAL 84 2HG2 VAL 84 -20.823 -12.530 3.906 592 HG23 VAL 84 3HG2 VAL 84 -19.830 -13.895 3.396 593 H GLY 85 H GLY 85 -16.853 -9.228 3.490 594 HA2 GLY 85 1HA GLY 85 -16.432 -9.160 6.272 595 HA3 GLY 85 2HA GLY 85 -15.542 -10.521 5.604 596 H ALA 86 H ALA 86 -13.479 -9.829 5.802 597 HA ALA 86 HA ALA 86 -12.525 -7.887 3.943 598 HB1 ALA 86 1HB ALA 86 -12.194 -7.167 6.851 599 HB2 ALA 86 2HB ALA 86 -11.666 -6.239 5.447 600 HB3 ALA 86 3HB ALA 86 -13.388 -6.432 5.780 601 H GLY 87 H GLY 87 -10.567 -8.523 3.309 602 HA2 GLY 87 1HA GLY 87 -9.256 -10.711 4.584 603 HA3 GLY 87 2HA GLY 87 -8.650 -9.795 3.213 604 HA PRO 88 HA PRO 88 -6.415 -8.801 7.316 605 HB2 PRO 88 1HB PRO 88 -4.184 -10.306 6.961 606 HB3 PRO 88 2HB PRO 88 -5.622 -10.902 7.799 607 HG2 PRO 88 1HG PRO 88 -4.749 -11.365 4.974 608 HG3 PRO 88 2HG PRO 88 -5.421 -12.519 6.141 609 HD2 PRO 88 1HD PRO 88 -6.912 -11.394 4.181 610 HD3 PRO 88 2HD PRO 88 -7.588 -11.831 5.763 611 H PHE 89 H PHE 89 -3.935 -8.136 7.362 612 HA PHE 89 HA PHE 89 -3.581 -6.360 5.076 613 HB2 PHE 89 1HB PHE 89 -2.604 -6.408 7.893 614 HB3 PHE 89 2HB PHE 89 -1.614 -5.585 6.692 615 HD1 PHE 89 2HD PHE 89 -3.012 -3.964 5.101 616 HD2 PHE 89 1HD PHE 89 -4.155 -5.161 9.023 617 HE1 PHE 89 2HE PHE 89 -4.441 -1.970 5.289 618 HE2 PHE 89 1HE PHE 89 -5.586 -3.169 9.217 619 HZ PHE 89 HZ PHE 89 -5.729 -1.570 7.350 620 H SER 90 H SER 90 -1.908 -6.454 3.668 621 HA SER 90 HA SER 90 -0.502 -8.896 3.383 622 HB2 SER 90 1HB SER 90 0.713 -7.685 1.550 623 HB3 SER 90 2HB SER 90 -1.044 -7.608 1.417 624 HG SER 90 HG SER 90 0.783 -5.597 2.123 625 H GLU 91 H GLU 91 2.018 -8.602 2.827 626 HA GLU 91 HA GLU 91 3.273 -8.199 5.346 627 HB2 GLU 91 1HB GLU 91 4.222 -8.905 2.595 628 HB3 GLU 91 2HB GLU 91 5.396 -8.452 3.823 629 HG2 GLU 91 1HG GLU 91 3.392 -10.684 4.074 630 HG3 GLU 91 2HG GLU 91 5.093 -10.877 3.656 631 H VAL 92 H VAL 92 3.881 -6.337 6.204 632 HA VAL 92 HA VAL 92 3.708 -3.849 5.016 633 HB VAL 92 HB VAL 92 5.469 -4.728 7.305 634 HG11 VAL 92 1HG1 VAL 92 4.740 -1.924 6.463 635 HG12 VAL 92 2HG1 VAL 92 5.665 -2.375 7.896 636 HG13 VAL 92 3HG1 VAL 92 6.329 -2.667 6.287 637 HG21 VAL 92 1HG2 VAL 92 2.802 -3.318 7.268 638 HG22 VAL 92 2HG2 VAL 92 3.058 -5.019 7.655 639 HG23 VAL 92 3HG2 VAL 92 3.722 -3.766 8.704 640 H VAL 93 H VAL 93 4.769 -3.060 3.330 641 HA VAL 93 HA VAL 93 7.466 -4.018 2.730 642 HB VAL 93 HB VAL 93 5.715 -2.220 1.051 643 HG11 VAL 93 1HG1 VAL 93 8.192 -3.820 0.422 644 HG12 VAL 93 2HG1 VAL 93 7.198 -2.993 -0.778 645 HG13 VAL 93 3HG1 VAL 93 8.044 -2.063 0.459 646 HG21 VAL 93 1HG2 VAL 93 6.067 -5.211 0.872 647 HG22 VAL 93 2HG2 VAL 93 4.626 -4.384 1.463 648 HG23 VAL 93 3HG2 VAL 93 5.117 -4.204 -0.222 649 H ALA 94 H ALA 94 8.941 -2.929 3.905 650 HA ALA 94 HA ALA 94 8.680 -0.129 4.497 651 HB1 ALA 94 1HB ALA 94 9.739 -1.414 6.163 652 HB2 ALA 94 2HB ALA 94 10.847 -2.150 5.004 653 HB3 ALA 94 3HB ALA 94 11.018 -0.447 5.428 654 H CYS 95 H CYS 95 10.072 1.543 3.796 655 HA CYS 95 HA CYS 95 11.930 1.069 1.642 656 HB2 CYS 95 1HB CYS 95 10.824 2.258 -0.070 657 HB3 CYS 95 2HB CYS 95 9.601 1.183 0.596 658 HG CYS 95 HG CYS 95 8.256 3.125 2.011 659 H VAL 96 H VAL 96 13.568 2.444 1.855 660 HA VAL 96 HA VAL 96 13.145 4.873 3.460 661 HB VAL 96 HB VAL 96 15.711 3.387 2.875 662 HG11 VAL 96 1HG1 VAL 96 15.882 5.891 3.160 663 HG12 VAL 96 2HG1 VAL 96 15.313 5.654 4.813 664 HG13 VAL 96 3HG1 VAL 96 16.829 4.921 4.287 665 HG21 VAL 96 1HG2 VAL 96 14.870 2.031 4.467 666 HG22 VAL 96 2HG2 VAL 96 15.400 3.309 5.559 667 HG23 VAL 96 3HG2 VAL 96 13.718 3.237 5.037 668 H THR 97 H THR 97 13.028 6.710 2.369 669 HA THR 97 HA THR 97 13.624 6.974 -0.369 670 HB THR 97 HB THR 97 13.540 9.516 0.234 671 HG1 THR 97 1HG THR 97 12.849 9.984 2.241 672 HG21 THR 97 1HG2 THR 97 11.679 8.749 -0.888 673 HG22 THR 97 2HG2 THR 97 10.968 9.187 0.665 674 HG23 THR 97 3HG2 THR 97 11.339 7.501 0.310 675 HA PRO 98 HA PRO 98 17.950 7.763 -0.441 676 HB2 PRO 98 1HB PRO 98 18.108 9.308 -2.667 677 HB3 PRO 98 2HB PRO 98 17.806 7.567 -2.725 678 HG2 PRO 98 1HG PRO 98 15.863 9.834 -2.929 679 HG3 PRO 98 2HG PRO 98 15.943 8.340 -3.880 680 HD2 PRO 98 1HD PRO 98 14.204 8.672 -1.832 681 HD3 PRO 98 2HD PRO 98 14.905 7.093 -2.243 682 HA PRO 99 HA PRO 99 18.633 11.626 1.581 683 HB2 PRO 99 1HB PRO 99 21.322 11.806 1.258 684 HB3 PRO 99 2HB PRO 99 20.564 10.686 2.397 685 HG2 PRO 99 1HG PRO 99 21.626 10.161 -0.352 686 HG3 PRO 99 2HG PRO 99 21.801 9.188 1.120 687 HD2 PRO 99 1HD PRO 99 20.000 8.593 -0.813 688 HD3 PRO 99 2HD PRO 99 19.705 8.255 0.905 689 H SER 100 H SER 100 18.883 13.784 1.115 690 HA SER 100 HA SER 100 19.458 14.443 -1.701 691 HB2 SER 100 1HB SER 100 17.079 14.803 -0.878 692 HB3 SER 100 2HB SER 100 17.725 16.071 0.163 693 HG SER 100 HG SER 100 18.317 17.232 -1.616 694 H SER 101 H SER 101 21.280 15.522 -1.990 695 HA SER 101 HA SER 101 22.063 17.581 -0.073 696 HB2 SER 101 1HB SER 101 23.783 15.232 -0.874 697 HB3 SER 101 2HB SER 101 24.457 16.719 -0.206 698 HG SER 101 HG SER 101 23.886 14.896 1.286 699 H GLY 102 H GLY 102 23.094 19.309 -0.978 700 HA2 GLY 102 1HA GLY 102 24.487 19.311 -3.416 701 HA3 GLY 102 2HA GLY 102 22.817 19.754 -3.739 702 HA PRO 103 HA PRO 103 25.174 23.613 -2.715 703 HB2 PRO 103 1HB PRO 103 24.173 25.055 -4.786 704 HB3 PRO 103 2HB PRO 103 25.604 24.029 -4.934 705 HG2 PRO 103 1HG PRO 103 22.775 23.457 -5.725 706 HG3 PRO 103 2HG PRO 103 24.273 23.111 -6.606 707 HD2 PRO 103 1HD PRO 103 22.947 21.223 -5.190 708 HD3 PRO 103 2HD PRO 103 24.714 21.218 -5.366 709 H SER 104 H SER 104 24.067 24.217 -0.907 710 HA SER 104 HA SER 104 21.245 24.821 -1.001 711 HB2 SER 104 1HB SER 104 22.695 23.844 0.980 712 HB3 SER 104 2HB SER 104 22.960 25.550 1.339 713 HG SER 104 HG SER 104 20.468 25.523 1.012 714 H SER 105 H SER 105 22.613 26.421 -2.790 715 HA SER 105 HA SER 105 21.936 29.047 -1.773 716 HB2 SER 105 1HB SER 105 24.070 30.076 -2.267 717 HB3 SER 105 2HB SER 105 24.336 28.739 -1.147 718 HG SER 105 HG SER 105 24.628 27.567 -3.349 719 H GLY 106 H GLY 106 22.527 30.720 -3.639 720 HA2 GLY 106 1HA GLY 106 21.633 31.408 -5.670 721 HA3 GLY 106 2HA GLY 106 22.789 30.226 -6.264 Start of MODEL 19 1 H1 GLY 1 H GLY 1 -5.332 -23.753 7.898 2 HA2 GLY 1 1HA GLY 1 -3.919 -22.357 9.884 3 HA3 GLY 1 2HA GLY 1 -4.571 -21.186 8.749 4 H SER 2 H SER 2 -5.884 -20.330 10.423 5 HA SER 2 HA SER 2 -7.721 -21.842 11.923 6 HB2 SER 2 1HB SER 2 -8.868 -19.634 12.287 7 HB3 SER 2 2HB SER 2 -7.143 -19.619 12.648 8 HG SER 2 HG SER 2 -8.042 -17.833 11.319 9 H SER 3 H SER 3 -10.078 -21.786 11.757 10 HA SER 3 HA SER 3 -10.913 -22.124 8.969 11 HB2 SER 3 1HB SER 3 -11.797 -23.267 11.575 12 HB3 SER 3 2HB SER 3 -13.012 -23.088 10.310 13 HG SER 3 HG SER 3 -11.024 -24.906 10.531 14 H GLY 4 H GLY 4 -12.125 -20.638 8.005 15 HA2 GLY 4 1HA GLY 4 -14.237 -19.365 8.119 16 HA3 GLY 4 2HA GLY 4 -13.718 -18.824 9.709 17 H SER 5 H SER 5 -12.344 -18.918 6.416 18 HA SER 5 HA SER 5 -10.614 -16.797 6.628 19 HB2 SER 5 1HB SER 5 -12.219 -17.806 4.284 20 HB3 SER 5 2HB SER 5 -11.069 -16.480 4.118 21 HG SER 5 HG SER 5 -9.979 -18.356 3.666 22 H SER 6 H SER 6 -13.979 -16.633 5.463 23 HA SER 6 HA SER 6 -15.528 -14.963 5.555 24 HB2 SER 6 1HB SER 6 -14.451 -14.725 7.931 25 HB3 SER 6 2HB SER 6 -13.721 -13.270 7.251 26 HG SER 6 HG SER 6 -16.469 -13.682 6.910 27 H GLY 7 H GLY 7 -13.740 -15.063 3.423 28 HA2 GLY 7 1HA GLY 7 -14.159 -12.966 1.881 29 HA3 GLY 7 2HA GLY 7 -12.904 -12.306 2.920 30 HA PRO 8 HA PRO 8 -10.858 -14.279 -0.739 31 HB2 PRO 8 1HB PRO 8 -9.159 -12.210 -1.198 32 HB3 PRO 8 2HB PRO 8 -10.792 -12.279 -1.869 33 HG2 PRO 8 1HG PRO 8 -9.794 -10.802 0.536 34 HG3 PRO 8 2HG PRO 8 -10.907 -10.254 -0.732 35 HD2 PRO 8 1HD PRO 8 -11.765 -11.105 1.691 36 HD3 PRO 8 2HD PRO 8 -12.711 -11.339 0.208 37 H ASP 9 H ASP 9 -8.272 -14.139 -1.083 38 HA ASP 9 HA ASP 9 -7.172 -15.170 1.403 39 HB2 ASP 9 1HB ASP 9 -6.403 -15.320 -1.482 40 HB3 ASP 9 2HB ASP 9 -5.162 -15.584 -0.260 41 H GLN 10 H GLN 10 -4.987 -14.560 2.087 42 HA GLN 10 HA GLN 10 -4.677 -11.945 2.734 43 HB2 GLN 10 1HB GLN 10 -3.283 -13.630 3.736 44 HB3 GLN 10 2HB GLN 10 -2.519 -13.985 2.192 45 HG2 GLN 10 1HG GLN 10 -1.559 -11.716 2.179 46 HG3 GLN 10 2HG GLN 10 -2.265 -11.436 3.770 47 HE21 GLN 10 1HE2 GLN 10 0.414 -11.158 3.405 48 HE22 GLN 10 2HE2 GLN 10 1.258 -12.435 4.206 49 H CYS 11 H CYS 11 -3.394 -10.200 1.972 50 HA CYS 11 HA CYS 11 -3.257 -10.104 -0.946 51 HB2 CYS 11 1HB CYS 11 -3.479 -8.066 1.222 52 HB3 CYS 11 2HB CYS 11 -2.728 -7.585 -0.294 53 HG CYS 11 HG CYS 11 -5.854 -8.963 -0.110 54 H LYS 12 H LYS 12 -1.411 -9.355 -2.055 55 HA LYS 12 HA LYS 12 1.081 -10.078 -0.743 56 HB2 LYS 12 1HB LYS 12 0.388 -9.420 -3.607 57 HB3 LYS 12 2HB LYS 12 2.029 -9.745 -3.066 58 HG2 LYS 12 1HG LYS 12 0.990 -11.946 -2.135 59 HG3 LYS 12 2HG LYS 12 -0.291 -11.602 -3.301 60 HD2 LYS 12 1HD LYS 12 2.576 -11.522 -4.153 61 HD3 LYS 12 2HD LYS 12 1.738 -13.069 -4.011 62 HE2 LYS 12 1HE LYS 12 0.702 -10.748 -5.627 63 HE3 LYS 12 2HE LYS 12 1.700 -12.037 -6.300 64 HZ1 LYS 12 1HZ LYS 12 -0.238 -13.045 -6.679 65 HZ2 LYS 12 2HZ LYS 12 -1.094 -12.051 -5.611 66 HZ3 LYS 12 3HZ LYS 12 -0.253 -13.397 -5.025 67 HA PRO 13 HA PRO 13 2.524 -5.998 -0.002 68 HB2 PRO 13 1HB PRO 13 5.195 -6.323 -0.363 69 HB3 PRO 13 2HB PRO 13 4.332 -6.959 1.041 70 HG2 PRO 13 1HG PRO 13 5.188 -8.371 -1.456 71 HG3 PRO 13 2HG PRO 13 5.284 -8.919 0.228 72 HD2 PRO 13 1HD PRO 13 3.335 -9.740 -1.463 73 HD3 PRO 13 2HD PRO 13 3.066 -9.547 0.282 74 HA PRO 14 HA PRO 14 2.681 -4.136 -4.038 75 HB2 PRO 14 1HB PRO 14 2.924 -1.569 -3.187 76 HB3 PRO 14 2HB PRO 14 1.396 -2.457 -3.137 77 HG2 PRO 14 1HG PRO 14 3.367 -1.949 -0.941 78 HG3 PRO 14 2HG PRO 14 1.596 -1.865 -0.897 79 HD2 PRO 14 1HD PRO 14 2.977 -3.994 0.047 80 HD3 PRO 14 2HD PRO 14 1.367 -4.148 -0.684 81 H GLN 15 H GLN 15 4.135 -2.711 -5.270 82 HA GLN 15 HA GLN 15 6.911 -2.994 -4.338 83 HB2 GLN 15 1HB GLN 15 5.964 -4.048 -6.563 84 HB3 GLN 15 2HB GLN 15 6.227 -2.426 -7.192 85 HG2 GLN 15 1HG GLN 15 8.582 -2.566 -6.504 86 HG3 GLN 15 2HG GLN 15 8.302 -4.213 -5.944 87 HE21 GLN 15 1HE2 GLN 15 10.088 -3.153 -8.030 88 HE22 GLN 15 2HE2 GLN 15 9.674 -4.009 -9.473 89 H VAL 16 H VAL 16 7.656 -1.168 -3.484 90 HA VAL 16 HA VAL 16 6.633 1.411 -4.282 91 HB VAL 16 HB VAL 16 8.383 2.261 -2.644 92 HG11 VAL 16 1HG1 VAL 16 6.933 1.998 -0.885 93 HG12 VAL 16 2HG1 VAL 16 5.880 1.574 -2.237 94 HG13 VAL 16 3HG1 VAL 16 6.615 0.304 -1.257 95 HG21 VAL 16 1HG2 VAL 16 8.566 -0.601 -1.759 96 HG22 VAL 16 2HG2 VAL 16 9.732 0.094 -2.885 97 HG23 VAL 16 3HG2 VAL 16 9.554 0.774 -1.268 98 H THR 17 H THR 17 7.652 2.957 -5.467 99 HA THR 17 HA THR 17 10.333 2.343 -6.510 100 HB THR 17 HB THR 17 7.950 3.259 -8.126 101 HG1 THR 17 1HG THR 17 7.956 1.258 -8.839 102 HG21 THR 17 1HG2 THR 17 9.455 4.433 -9.316 103 HG22 THR 17 2HG2 THR 17 9.980 2.859 -9.913 104 HG23 THR 17 3HG2 THR 17 10.826 3.618 -8.565 105 H CYS 18 H CYS 18 11.036 3.872 -4.890 106 HA CYS 18 HA CYS 18 10.215 6.464 -4.538 107 HB2 CYS 18 1HB CYS 18 12.554 6.962 -3.852 108 HB3 CYS 18 2HB CYS 18 11.921 5.487 -3.131 109 HG CYS 18 HG CYS 18 13.226 4.062 -5.453 110 H ARG 19 H ARG 19 9.638 7.687 -6.256 111 HA ARG 19 HA ARG 19 11.135 7.805 -8.679 112 HB2 ARG 19 1HB ARG 19 8.780 9.261 -7.556 113 HB3 ARG 19 2HB ARG 19 9.612 9.943 -8.947 114 HG2 ARG 19 1HG ARG 19 9.321 7.438 -9.821 115 HG3 ARG 19 2HG ARG 19 7.933 7.524 -8.735 116 HD2 ARG 19 1HD ARG 19 6.952 8.335 -10.619 117 HD3 ARG 19 2HD ARG 19 7.597 9.846 -9.979 118 HE ARG 19 HE ARG 19 9.362 8.434 -11.777 119 HH11 ARG 19 1HH1 ARG 19 6.850 10.821 -11.456 120 HH12 ARG 19 2HH1 ARG 19 7.244 11.626 -12.939 121 HH21 ARG 19 1HH2 ARG 19 9.891 9.483 -13.731 122 HH22 ARG 19 2HH2 ARG 19 8.973 10.862 -14.234 123 H SER 20 H SER 20 10.956 9.785 -5.776 124 HA SER 20 HA SER 20 13.498 10.995 -6.408 125 HB2 SER 20 1HB SER 20 10.939 12.500 -6.633 126 HB3 SER 20 2HB SER 20 12.300 13.326 -5.876 127 HG SER 20 HG SER 20 13.204 13.508 -7.761 128 H ALA 21 H ALA 21 13.852 12.842 -4.612 129 HA ALA 21 HA ALA 21 14.068 11.528 -2.170 130 HB1 ALA 21 1HB ALA 21 14.360 13.930 -1.265 131 HB2 ALA 21 2HB ALA 21 15.520 13.317 -2.445 132 HB3 ALA 21 3HB ALA 21 14.235 14.410 -2.957 133 H THR 22 H THR 22 11.578 13.748 -3.338 134 HA THR 22 HA THR 22 9.996 13.139 -0.926 135 HB THR 22 HB THR 22 8.803 15.245 -1.271 136 HG1 THR 22 1HG THR 22 9.852 16.709 -2.882 137 HG21 THR 22 1HG2 THR 22 10.428 16.638 -0.381 138 HG22 THR 22 2HG2 THR 22 11.699 15.987 -1.415 139 HG23 THR 22 3HG2 THR 22 11.100 15.042 -0.053 140 H CYS 23 H CYS 23 10.158 11.554 -3.385 141 HA CYS 23 HA CYS 23 7.299 11.536 -4.008 142 HB2 CYS 23 1HB CYS 23 9.414 11.290 -6.153 143 HB3 CYS 23 2HB CYS 23 7.670 11.324 -6.380 144 HG CYS 23 HG CYS 23 9.643 13.938 -5.391 145 H ALA 24 H ALA 24 6.445 9.519 -4.420 146 HA ALA 24 HA ALA 24 8.140 7.216 -4.767 147 HB1 ALA 24 1HB ALA 24 7.410 6.059 -2.731 148 HB2 ALA 24 2HB ALA 24 8.343 7.512 -2.365 149 HB3 ALA 24 3HB ALA 24 6.586 7.526 -2.202 150 H GLN 25 H GLN 25 7.081 5.604 -5.787 151 HA GLN 25 HA GLN 25 4.165 5.897 -6.081 152 HB2 GLN 25 1HB GLN 25 5.527 6.262 -8.149 153 HB3 GLN 25 2HB GLN 25 6.077 4.596 -8.026 154 HG2 GLN 25 1HG GLN 25 4.366 4.379 -9.520 155 HG3 GLN 25 2HG GLN 25 3.524 4.060 -8.004 156 HE21 GLN 25 1HE2 GLN 25 1.528 4.761 -8.483 157 HE22 GLN 25 2HE2 GLN 25 1.139 6.379 -8.945 158 H VAL 26 H VAL 26 2.857 4.144 -5.793 159 HA VAL 26 HA VAL 26 4.170 1.669 -4.872 160 HB VAL 26 HB VAL 26 1.436 2.598 -4.006 161 HG11 VAL 26 1HG1 VAL 26 1.923 1.012 -2.120 162 HG12 VAL 26 2HG1 VAL 26 1.731 0.256 -3.703 163 HG13 VAL 26 3HG1 VAL 26 3.342 0.485 -3.023 164 HG21 VAL 26 1HG2 VAL 26 2.379 3.486 -2.007 165 HG22 VAL 26 2HG2 VAL 26 3.989 2.908 -2.435 166 HG23 VAL 26 3HG2 VAL 26 3.246 4.213 -3.360 167 H ASN 27 H ASN 27 3.274 -0.310 -5.472 168 HA ASN 27 HA ASN 27 1.047 -0.277 -7.368 169 HB2 ASN 27 1HB ASN 27 3.844 -1.188 -7.942 170 HB3 ASN 27 2HB ASN 27 2.491 -2.000 -8.724 171 HD21 ASN 27 1HD2 ASN 27 4.254 0.981 -8.404 172 HD22 ASN 27 2HD2 ASN 27 3.607 1.746 -9.812 173 H TRP 28 H TRP 28 -0.334 -1.906 -7.042 174 HA TRP 28 HA TRP 28 0.609 -4.324 -5.676 175 HB2 TRP 28 1HB TRP 28 -1.299 -4.315 -4.169 176 HB3 TRP 28 2HB TRP 28 -0.384 -2.823 -3.977 177 HD1 TRP 28 HD TRP 28 -3.675 -4.112 -5.517 178 HE1 TRP 28 1HE TRP 28 -5.308 -2.131 -5.699 179 HE3 TRP 28 3HE TRP 28 -0.543 -0.341 -4.064 180 HZ2 TRP 28 2HZ TRP 28 -5.274 0.660 -5.283 181 HZ3 TRP 28 3HZ TRP 28 -1.421 1.956 -3.984 182 HH2 TRP 28 HH TRP 28 -3.738 2.444 -4.582 183 H GLU 29 H GLU 29 -1.469 -5.885 -5.554 184 HA GLU 29 HA GLU 29 -3.038 -5.736 -8.000 185 HB2 GLU 29 1HB GLU 29 -1.115 -7.993 -7.418 186 HB3 GLU 29 2HB GLU 29 -2.385 -8.073 -8.630 187 HG2 GLU 29 1HG GLU 29 -0.347 -5.886 -8.690 188 HG3 GLU 29 2HG GLU 29 0.005 -7.476 -9.363 189 H VAL 30 H VAL 30 -4.504 -7.766 -8.125 190 HA VAL 30 HA VAL 30 -5.675 -8.112 -5.463 191 HB VAL 30 HB VAL 30 -6.880 -8.844 -8.134 192 HG11 VAL 30 1HG1 VAL 30 -8.218 -8.404 -5.470 193 HG12 VAL 30 2HG1 VAL 30 -8.959 -8.998 -6.958 194 HG13 VAL 30 3HG1 VAL 30 -7.774 -9.988 -6.104 195 HG21 VAL 30 1HG2 VAL 30 -6.555 -6.498 -8.196 196 HG22 VAL 30 2HG2 VAL 30 -8.245 -6.751 -7.758 197 HG23 VAL 30 3HG2 VAL 30 -7.069 -6.310 -6.520 198 HA PRO 31 HA PRO 31 -4.218 -12.273 -5.198 199 HB2 PRO 31 1HB PRO 31 -5.886 -13.127 -3.235 200 HB3 PRO 31 2HB PRO 31 -4.512 -12.059 -2.930 201 HG2 PRO 31 1HG PRO 31 -7.410 -11.374 -3.236 202 HG3 PRO 31 2HG PRO 31 -6.233 -10.760 -2.059 203 HD2 PRO 31 1HD PRO 31 -6.951 -9.364 -4.265 204 HD3 PRO 31 2HD PRO 31 -5.325 -9.264 -3.558 205 H LEU 32 H LEU 32 -5.700 -14.470 -4.564 206 HA LEU 32 HA LEU 32 -7.358 -14.778 -6.956 207 HB2 LEU 32 1HB LEU 32 -5.615 -16.386 -6.798 208 HB3 LEU 32 2HB LEU 32 -6.023 -16.754 -5.122 209 HG LEU 32 HG LEU 32 -8.240 -17.637 -6.045 210 HD11 LEU 32 1HD1 LEU 32 -7.839 -16.546 -8.298 211 HD12 LEU 32 2HD1 LEU 32 -8.382 -18.222 -8.317 212 HD13 LEU 32 3HD1 LEU 32 -6.685 -17.843 -8.607 213 HD21 LEU 32 1HD2 LEU 32 -6.445 -19.058 -5.174 214 HD22 LEU 32 2HD2 LEU 32 -5.677 -19.059 -6.761 215 HD23 LEU 32 3HD2 LEU 32 -7.260 -19.808 -6.546 216 H SER 33 H SER 33 -9.460 -14.447 -6.673 217 HA SER 33 HA SER 33 -10.824 -15.804 -4.485 218 HB2 SER 33 1HB SER 33 -11.939 -13.883 -3.651 219 HB3 SER 33 2HB SER 33 -10.244 -13.415 -3.779 220 HG SER 33 HG SER 33 -10.788 -11.957 -5.185 221 H ASN 34 H ASN 34 -12.957 -16.325 -4.922 222 HA ASN 34 HA ASN 34 -13.910 -15.648 -7.627 223 HB2 ASN 34 1HB ASN 34 -14.648 -18.233 -6.300 224 HB3 ASN 34 2HB ASN 34 -14.609 -17.835 -8.014 225 HD21 ASN 34 1HD2 ASN 34 -12.164 -16.876 -8.438 226 HD22 ASN 34 2HD2 ASN 34 -10.956 -18.053 -8.060 227 H GLY 35 H GLY 35 -15.034 -16.930 -4.489 228 HA2 GLY 35 1HA GLY 35 -17.741 -16.281 -4.836 229 HA3 GLY 35 2HA GLY 35 -16.945 -16.519 -3.287 230 H THR 36 H THR 36 -15.630 -14.626 -2.505 231 HA THR 36 HA THR 36 -17.280 -12.260 -2.667 232 HB THR 36 HB THR 36 -15.427 -11.387 -1.042 233 HG1 THR 36 1HG THR 36 -15.052 -14.167 -0.645 234 HG21 THR 36 1HG2 THR 36 -16.709 -12.095 0.751 235 HG22 THR 36 2HG2 THR 36 -16.993 -13.689 0.052 236 HG23 THR 36 3HG2 THR 36 -17.837 -12.281 -0.591 237 H ASP 37 H ASP 37 -16.822 -10.390 -3.684 238 HA ASP 37 HA ASP 37 -14.345 -10.300 -5.264 239 HB2 ASP 37 1HB ASP 37 -17.106 -9.262 -5.687 240 HB3 ASP 37 2HB ASP 37 -15.770 -8.343 -6.373 241 H VAL 38 H VAL 38 -12.826 -8.841 -4.824 242 HA VAL 38 HA VAL 38 -12.802 -7.283 -2.535 243 HB VAL 38 HB VAL 38 -11.242 -6.703 -5.055 244 HG11 VAL 38 1HG1 VAL 38 -10.407 -6.193 -2.214 245 HG12 VAL 38 2HG1 VAL 38 -9.700 -5.555 -3.699 246 HG13 VAL 38 3HG1 VAL 38 -11.287 -4.997 -3.166 247 HG21 VAL 38 1HG2 VAL 38 -9.476 -8.106 -3.907 248 HG22 VAL 38 2HG2 VAL 38 -10.753 -8.672 -2.831 249 HG23 VAL 38 3HG2 VAL 38 -10.857 -8.986 -4.563 250 H THR 39 H THR 39 -14.166 -5.695 -2.049 251 HA THR 39 HA THR 39 -15.559 -4.147 -3.976 252 HB THR 39 HB THR 39 -16.129 -2.697 -1.935 253 HG1 THR 39 1HG THR 39 -15.089 -4.888 -0.471 254 HG21 THR 39 1HG2 THR 39 -17.747 -4.278 -1.141 255 HG22 THR 39 2HG2 THR 39 -16.779 -5.636 -1.715 256 HG23 THR 39 3HG2 THR 39 -17.540 -4.543 -2.872 257 H GLU 40 H GLU 40 -13.175 -3.099 -1.530 258 HA GLU 40 HA GLU 40 -12.040 -1.248 -3.488 259 HB2 GLU 40 1HB GLU 40 -12.342 0.675 -2.234 260 HB3 GLU 40 2HB GLU 40 -13.858 -0.172 -1.962 261 HG2 GLU 40 1HG GLU 40 -12.570 -1.136 0.113 262 HG3 GLU 40 2HG GLU 40 -11.594 0.317 -0.101 263 H TYR 41 H TYR 41 -10.046 -0.138 -2.495 264 HA TYR 41 HA TYR 41 -8.614 -2.071 -0.791 265 HB2 TYR 41 1HB TYR 41 -7.352 -0.440 -2.998 266 HB3 TYR 41 2HB TYR 41 -6.614 -1.742 -2.072 267 HD1 TYR 41 1HD TYR 41 -9.498 -1.120 -4.363 268 HD2 TYR 41 2HD TYR 41 -6.548 -3.864 -2.994 269 HE1 TYR 41 1HE TYR 41 -10.212 -2.734 -6.075 270 HE2 TYR 41 2HE TYR 41 -7.253 -5.485 -4.704 271 HH TYR 41 HH TYR 41 -9.348 -4.651 -7.274 272 H ARG 42 H ARG 42 -8.011 -1.221 1.075 273 HA ARG 42 HA ARG 42 -7.737 1.692 1.293 274 HB2 ARG 42 1HB ARG 42 -8.486 -0.479 3.183 275 HB3 ARG 42 2HB ARG 42 -7.641 0.913 3.846 276 HG2 ARG 42 1HG ARG 42 -9.363 2.393 2.953 277 HG3 ARG 42 2HG ARG 42 -10.208 1.000 2.274 278 HD2 ARG 42 1HD ARG 42 -10.535 0.090 4.508 279 HD3 ARG 42 2HD ARG 42 -9.642 1.443 5.203 280 HE ARG 42 HE ARG 42 -11.855 2.331 3.647 281 HH11 ARG 42 1HH1 ARG 42 -10.976 0.989 6.737 282 HH12 ARG 42 2HH1 ARG 42 -12.342 1.661 7.564 283 HH21 ARG 42 1HH2 ARG 42 -13.658 3.221 4.725 284 HH22 ARG 42 2HH2 ARG 42 -13.867 2.929 6.418 285 H LEU 43 H LEU 43 -5.717 2.372 0.986 286 HA LEU 43 HA LEU 43 -3.476 0.706 1.843 287 HB2 LEU 43 1HB LEU 43 -3.427 1.608 -0.421 288 HB3 LEU 43 2HB LEU 43 -3.544 3.245 0.219 289 HG LEU 43 HG LEU 43 -1.331 2.941 1.287 290 HD11 LEU 43 1HD1 LEU 43 -1.267 0.564 1.561 291 HD12 LEU 43 2HD1 LEU 43 0.059 1.035 0.499 292 HD13 LEU 43 3HD1 LEU 43 -1.398 0.310 -0.179 293 HD21 LEU 43 1HD2 LEU 43 -1.376 4.071 -0.803 294 HD22 LEU 43 2HD2 LEU 43 -1.542 2.557 -1.692 295 HD23 LEU 43 3HD2 LEU 43 -0.031 2.932 -0.860 296 H GLU 44 H GLU 44 -1.957 1.347 3.335 297 HA GLU 44 HA GLU 44 -2.556 3.818 4.824 298 HB2 GLU 44 1HB GLU 44 -1.793 1.095 5.870 299 HB3 GLU 44 2HB GLU 44 -1.642 2.553 6.840 300 HG2 GLU 44 1HG GLU 44 -4.161 2.869 6.144 301 HG3 GLU 44 2HG GLU 44 -4.078 1.122 5.931 302 H TRP 45 H TRP 45 -0.981 5.219 4.411 303 HA TRP 45 HA TRP 45 1.797 4.242 4.465 304 HB2 TRP 45 1HB TRP 45 1.204 4.836 2.179 305 HB3 TRP 45 2HB TRP 45 0.632 6.414 2.713 306 HD1 TRP 45 HD TRP 45 2.794 7.797 4.145 307 HE1 TRP 45 1HE TRP 45 5.167 8.165 3.218 308 HE3 TRP 45 3HE TRP 45 2.879 4.080 0.637 309 HZ2 TRP 45 2HZ TRP 45 6.851 7.031 1.257 310 HZ3 TRP 45 3HZ TRP 45 4.909 3.789 -0.724 311 HH2 TRP 45 HH TRP 45 6.852 5.235 -0.419 312 H GLY 46 H GLY 46 3.015 5.122 6.002 313 HA2 GLY 46 1HA GLY 46 2.533 7.882 6.833 314 HA3 GLY 46 2HA GLY 46 2.367 6.641 8.065 315 H GLY 47 H GLY 47 4.152 8.449 8.678 316 HA2 GLY 47 1HA GLY 47 6.733 8.279 7.648 317 HA3 GLY 47 2HA GLY 47 6.343 8.725 9.303 318 H VAL 48 H VAL 48 5.613 6.679 10.636 319 HA VAL 48 HA VAL 48 7.603 4.566 10.112 320 HB VAL 48 HB VAL 48 7.904 6.128 12.165 321 HG11 VAL 48 1HG1 VAL 48 6.301 4.280 13.759 322 HG12 VAL 48 2HG1 VAL 48 6.459 6.034 13.871 323 HG13 VAL 48 3HG1 VAL 48 5.342 5.320 12.706 324 HG21 VAL 48 1HG2 VAL 48 7.923 3.151 12.627 325 HG22 VAL 48 2HG2 VAL 48 9.135 4.008 11.676 326 HG23 VAL 48 3HG2 VAL 48 8.950 4.362 13.394 327 H GLU 49 H GLU 49 7.059 2.441 11.068 328 HA GLU 49 HA GLU 49 4.614 1.483 10.166 329 HB2 GLU 49 1HB GLU 49 5.127 -0.552 11.511 330 HB3 GLU 49 2HB GLU 49 6.461 -0.019 10.497 331 HG2 GLU 49 1HG GLU 49 7.596 0.928 12.379 332 HG3 GLU 49 2HG GLU 49 6.214 0.613 13.426 333 H GLY 50 H GLY 50 5.577 2.508 13.414 334 HA2 GLY 50 1HA GLY 50 3.170 1.729 14.700 335 HA3 GLY 50 2HA GLY 50 4.350 2.873 15.323 336 H SER 51 H SER 51 3.755 4.183 12.483 337 HA SER 51 HA SER 51 1.268 5.529 13.280 338 HB2 SER 51 1HB SER 51 2.976 7.040 14.006 339 HB3 SER 51 2HB SER 51 3.873 6.849 12.499 340 HG SER 51 HG SER 51 2.457 8.793 12.803 341 H MET 52 H MET 52 -0.061 4.840 11.705 342 HA MET 52 HA MET 52 0.510 5.686 8.990 343 HB2 MET 52 1HB MET 52 -0.014 2.793 9.689 344 HB3 MET 52 2HB MET 52 -0.076 3.444 8.057 345 HG2 MET 52 1HG MET 52 2.237 3.900 8.045 346 HG3 MET 52 2HG MET 52 2.369 3.641 9.783 347 HE1 MET 52 1HE MET 52 2.346 0.606 6.419 348 HE2 MET 52 2HE MET 52 0.725 1.155 6.842 349 HE3 MET 52 3HE MET 52 1.952 2.324 6.351 350 H GLN 53 H GLN 53 -1.342 5.921 7.709 351 HA GLN 53 HA GLN 53 -3.924 5.213 8.846 352 HB2 GLN 53 1HB GLN 53 -3.031 8.049 8.357 353 HB3 GLN 53 2HB GLN 53 -4.730 7.596 8.429 354 HG2 GLN 53 1HG GLN 53 -2.800 7.007 10.651 355 HG3 GLN 53 2HG GLN 53 -3.707 8.515 10.546 356 HE21 GLN 53 1HE2 GLN 53 -4.134 7.186 12.746 357 HE22 GLN 53 2HE2 GLN 53 -5.646 6.349 12.732 358 H ILE 54 H ILE 54 -5.727 5.845 7.303 359 HA ILE 54 HA ILE 54 -5.257 4.710 4.792 360 HB ILE 54 HB ILE 54 -7.518 6.573 5.527 361 HG12 ILE 54 1HG1 ILE 54 -7.213 4.643 7.096 362 HG13 ILE 54 2HG1 ILE 54 -8.747 4.627 6.231 363 HG21 ILE 54 1HG2 ILE 54 -6.891 4.946 3.173 364 HG22 ILE 54 2HG2 ILE 54 -8.522 4.722 3.803 365 HG23 ILE 54 3HG2 ILE 54 -7.969 6.331 3.343 366 HD11 ILE 54 1HD1 ILE 54 -6.365 3.062 5.299 367 HD12 ILE 54 2HD1 ILE 54 -7.532 2.423 6.457 368 HD13 ILE 54 3HD1 ILE 54 -8.056 2.873 4.835 369 H CYS 55 H CYS 55 -3.875 5.561 3.364 370 HA CYS 55 HA CYS 55 -3.687 8.438 3.012 371 HB2 CYS 55 1HB CYS 55 -1.837 7.890 1.462 372 HB3 CYS 55 2HB CYS 55 -1.616 7.170 3.052 373 HG CYS 55 HG CYS 55 -2.919 4.714 1.881 374 H TYR 56 H TYR 56 -4.736 5.593 1.209 375 HA TYR 56 HA TYR 56 -6.208 7.356 -0.604 376 HB2 TYR 56 1HB TYR 56 -4.312 6.934 -1.940 377 HB3 TYR 56 2HB TYR 56 -4.211 5.256 -1.421 378 HD1 TYR 56 1HD TYR 56 -5.978 7.625 -3.608 379 HD2 TYR 56 2HD TYR 56 -5.548 3.549 -2.466 380 HE1 TYR 56 1HE TYR 56 -7.257 6.940 -5.593 381 HE2 TYR 56 2HE TYR 56 -6.824 2.852 -4.449 382 HH TYR 56 HH TYR 56 -8.424 3.748 -6.016 383 H CYS 57 H CYS 57 -8.118 6.509 -1.382 384 HA CYS 57 HA CYS 57 -8.809 3.769 -0.597 385 HB2 CYS 57 1HB CYS 57 -10.710 4.357 0.575 386 HB3 CYS 57 2HB CYS 57 -9.635 5.682 1.007 387 HG CYS 57 HG CYS 57 -12.596 5.966 -0.064 388 H GLY 58 H GLY 58 -9.900 2.665 -2.115 389 HA2 GLY 58 1HA GLY 58 -11.856 3.262 -3.805 390 HA3 GLY 58 2HA GLY 58 -10.507 4.054 -4.608 391 HA PRO 59 HA PRO 59 -10.865 -0.551 -5.717 392 HB2 PRO 59 1HB PRO 59 -11.788 -0.254 -8.253 393 HB3 PRO 59 2HB PRO 59 -12.857 -0.422 -6.855 394 HG2 PRO 59 1HG PRO 59 -12.016 2.056 -8.309 395 HG3 PRO 59 2HG PRO 59 -13.621 1.602 -7.709 396 HD2 PRO 59 1HD PRO 59 -12.006 3.327 -6.389 397 HD3 PRO 59 2HD PRO 59 -13.132 2.242 -5.549 398 H GLY 60 H GLY 60 -9.439 2.324 -6.877 399 HA2 GLY 60 1HA GLY 60 -8.001 1.634 -9.101 400 HA3 GLY 60 2HA GLY 60 -7.378 2.685 -7.838 401 H LEU 61 H LEU 61 -5.572 1.252 -9.186 402 HA LEU 61 HA LEU 61 -4.820 -0.865 -7.281 403 HB2 LEU 61 1HB LEU 61 -4.311 -0.809 -10.252 404 HB3 LEU 61 2HB LEU 61 -3.698 -2.027 -9.136 405 HG LEU 61 HG LEU 61 -6.614 -1.540 -9.744 406 HD11 LEU 61 1HD1 LEU 61 -6.418 -2.881 -11.497 407 HD12 LEU 61 2HD1 LEU 61 -5.614 -4.110 -10.520 408 HD13 LEU 61 3HD1 LEU 61 -4.667 -2.837 -11.293 409 HD21 LEU 61 1HD2 LEU 61 -6.842 -3.770 -8.600 410 HD22 LEU 61 2HD2 LEU 61 -6.418 -2.418 -7.549 411 HD23 LEU 61 3HD2 LEU 61 -5.179 -3.570 -8.048 412 H SER 62 H SER 62 -3.859 1.854 -9.227 413 HA SER 62 HA SER 62 -1.178 1.744 -8.005 414 HB2 SER 62 1HB SER 62 -0.418 3.107 -9.965 415 HB3 SER 62 2HB SER 62 -0.985 1.495 -10.402 416 HG SER 62 HG SER 62 -1.857 3.833 -11.295 417 H TYR 63 H TYR 63 -0.478 3.474 -6.876 418 HA TYR 63 HA TYR 63 -1.978 5.982 -7.025 419 HB2 TYR 63 1HB TYR 63 -2.985 4.689 -5.185 420 HB3 TYR 63 2HB TYR 63 -1.402 4.529 -4.433 421 HD1 TYR 63 1HD TYR 63 -3.906 7.064 -5.506 422 HD2 TYR 63 2HD TYR 63 -0.639 6.154 -2.937 423 HE1 TYR 63 1HE TYR 63 -4.272 9.177 -4.303 424 HE2 TYR 63 2HE TYR 63 -0.997 8.264 -1.725 425 HH TYR 63 HH TYR 63 -2.598 9.922 -1.347 426 H GLU 64 H GLU 64 -0.684 7.706 -7.022 427 HA GLU 64 HA GLU 64 2.160 7.292 -6.468 428 HB2 GLU 64 1HB GLU 64 1.560 8.249 -8.648 429 HB3 GLU 64 2HB GLU 64 0.747 9.583 -7.843 430 HG2 GLU 64 1HG GLU 64 2.783 10.456 -7.023 431 HG3 GLU 64 2HG GLU 64 3.667 8.996 -7.466 432 H ILE 65 H ILE 65 3.063 8.021 -4.666 433 HA ILE 65 HA ILE 65 1.576 9.977 -3.048 434 HB ILE 65 HB ILE 65 3.525 7.821 -2.275 435 HG12 ILE 65 1HG1 ILE 65 0.874 8.411 -1.001 436 HG13 ILE 65 2HG1 ILE 65 0.941 7.538 -2.527 437 HG21 ILE 65 1HG2 ILE 65 2.691 10.246 -0.723 438 HG22 ILE 65 2HG2 ILE 65 3.182 8.758 0.084 439 HG23 ILE 65 3HG2 ILE 65 4.311 9.599 -0.979 440 HD11 ILE 65 1HD1 ILE 65 1.690 5.660 -1.563 441 HD12 ILE 65 2HD1 ILE 65 2.719 6.527 -0.423 442 HD13 ILE 65 3HD1 ILE 65 0.993 6.368 -0.107 443 H LYS 66 H LYS 66 2.477 11.881 -2.492 444 HA LYS 66 HA LYS 66 5.331 12.303 -3.025 445 HB2 LYS 66 1HB LYS 66 3.056 14.023 -4.019 446 HB3 LYS 66 2HB LYS 66 4.727 14.569 -3.969 447 HG2 LYS 66 1HG LYS 66 5.340 12.681 -5.451 448 HG3 LYS 66 2HG LYS 66 3.628 12.268 -5.570 449 HD2 LYS 66 1HD LYS 66 4.765 14.957 -6.321 450 HD3 LYS 66 2HD LYS 66 4.510 13.642 -7.470 451 HE2 LYS 66 1HE LYS 66 2.326 14.778 -5.734 452 HE3 LYS 66 2HE LYS 66 2.678 15.368 -7.358 453 HZ1 LYS 66 1HZ LYS 66 1.531 12.800 -6.522 454 HZ2 LYS 66 2HZ LYS 66 2.443 12.852 -7.945 455 HZ3 LYS 66 3HZ LYS 66 1.068 13.824 -7.786 456 H GLY 67 H GLY 67 5.913 14.645 -2.204 457 HA2 GLY 67 1HA GLY 67 5.936 16.193 -0.484 458 HA3 GLY 67 2HA GLY 67 4.379 15.573 0.046 459 H LEU 68 H LEU 68 7.115 13.464 -0.413 460 HA LEU 68 HA LEU 68 7.034 12.790 2.417 461 HB2 LEU 68 1HB LEU 68 8.734 11.515 0.290 462 HB3 LEU 68 2HB LEU 68 8.272 10.846 1.853 463 HG LEU 68 HG LEU 68 6.223 11.428 -0.262 464 HD11 LEU 68 1HD1 LEU 68 8.250 9.308 -0.223 465 HD12 LEU 68 2HD1 LEU 68 7.274 9.926 -1.555 466 HD13 LEU 68 3HD1 LEU 68 6.591 8.749 -0.433 467 HD21 LEU 68 1HD2 LEU 68 5.335 9.295 1.057 468 HD22 LEU 68 2HD2 LEU 68 5.043 10.943 1.616 469 HD23 LEU 68 3HD2 LEU 68 6.347 9.989 2.325 470 H SER 69 H SER 69 9.320 12.154 3.318 471 HA SER 69 HA SER 69 11.079 14.473 2.864 472 HB2 SER 69 1HB SER 69 10.306 12.972 5.331 473 HB3 SER 69 2HB SER 69 11.907 13.707 5.259 474 HG SER 69 HG SER 69 9.507 15.115 4.710 475 HA PRO 70 HA PRO 70 14.236 11.736 1.476 476 HB2 PRO 70 1HB PRO 70 16.401 13.295 1.976 477 HB3 PRO 70 2HB PRO 70 15.280 13.607 0.646 478 HG2 PRO 70 1HG PRO 70 15.416 14.890 3.348 479 HG3 PRO 70 2HG PRO 70 15.159 15.643 1.763 480 HD2 PRO 70 1HD PRO 70 13.128 15.135 3.481 481 HD3 PRO 70 2HD PRO 70 12.924 15.081 1.718 482 H ALA 71 H ALA 71 15.984 10.445 2.224 483 HA ALA 71 HA ALA 71 16.873 9.013 3.773 484 HB1 ALA 71 1HB ALA 71 17.991 11.485 4.030 485 HB2 ALA 71 2HB ALA 71 17.495 11.140 5.687 486 HB3 ALA 71 3HB ALA 71 18.565 10.025 4.836 487 H THR 72 H THR 72 14.213 8.915 4.056 488 HA THR 72 HA THR 72 13.892 8.634 6.955 489 HB THR 72 HB THR 72 11.801 9.898 5.171 490 HG1 THR 72 1HG THR 72 13.579 10.956 7.118 491 HG21 THR 72 1HG2 THR 72 10.687 10.323 7.411 492 HG22 THR 72 2HG2 THR 72 11.822 9.157 8.091 493 HG23 THR 72 3HG2 THR 72 10.677 8.653 6.847 494 H THR 73 H THR 73 13.034 6.735 7.520 495 HA THR 73 HA THR 73 12.384 4.810 5.500 496 HB THR 73 HB THR 73 11.907 4.449 8.453 497 HG1 THR 73 1HG THR 73 13.996 4.984 8.522 498 HG21 THR 73 1HG2 THR 73 12.640 2.098 7.825 499 HG22 THR 73 2HG2 THR 73 12.489 2.608 6.143 500 HG23 THR 73 3HG2 THR 73 11.077 2.623 7.198 501 H TYR 74 H TYR 74 10.435 4.087 4.842 502 HA TYR 74 HA TYR 74 8.045 5.125 6.210 503 HB2 TYR 74 1HB TYR 74 8.671 5.132 3.266 504 HB3 TYR 74 2HB TYR 74 7.014 5.203 3.854 505 HD1 TYR 74 1HD TYR 74 6.207 7.173 5.067 506 HD2 TYR 74 2HD TYR 74 10.155 7.021 3.487 507 HE1 TYR 74 1HE TYR 74 6.404 9.610 5.338 508 HE2 TYR 74 2HE TYR 74 10.363 9.456 3.754 509 HH TYR 74 HH TYR 74 7.634 11.429 4.798 510 H TYR 75 H TYR 75 6.062 3.886 5.703 511 HA TYR 75 HA TYR 75 6.567 1.115 4.895 512 HB2 TYR 75 1HB TYR 75 5.033 1.844 7.394 513 HB3 TYR 75 2HB TYR 75 5.392 0.223 6.811 514 HD1 TYR 75 1HD TYR 75 6.996 3.328 8.080 515 HD2 TYR 75 2HD TYR 75 7.359 -0.866 7.471 516 HE1 TYR 75 1HE TYR 75 9.070 3.321 9.402 517 HE2 TYR 75 2HE TYR 75 9.433 -0.885 8.793 518 HH TYR 75 HH TYR 75 11.292 1.173 9.325 519 H CYS 76 H CYS 76 4.758 0.007 4.093 520 HA CYS 76 HA CYS 76 2.232 1.442 3.890 521 HB2 CYS 76 1HB CYS 76 2.123 1.419 1.514 522 HB3 CYS 76 2HB CYS 76 3.687 2.110 1.927 523 HG CYS 76 HG CYS 76 3.191 -1.126 0.928 524 H ARG 77 H ARG 77 0.501 0.111 3.844 525 HA ARG 77 HA ARG 77 0.922 -2.731 3.259 526 HB2 ARG 77 1HB ARG 77 -0.420 -3.354 5.242 527 HB3 ARG 77 2HB ARG 77 1.091 -2.563 5.669 528 HG2 ARG 77 1HG ARG 77 -0.124 -0.460 6.023 529 HG3 ARG 77 2HG ARG 77 -1.635 -1.286 5.637 530 HD2 ARG 77 1HD ARG 77 -1.684 -1.456 7.910 531 HD3 ARG 77 2HD ARG 77 -0.799 -2.932 7.528 532 HE ARG 77 HE ARG 77 0.983 -0.762 7.903 533 HH11 ARG 77 1HH1 ARG 77 -1.060 -2.979 9.644 534 HH12 ARG 77 2HH1 ARG 77 -0.114 -2.915 11.094 535 HH21 ARG 77 1HH2 ARG 77 2.236 -0.671 9.807 536 HH22 ARG 77 2HH2 ARG 77 1.759 -1.601 11.186 537 H VAL 78 H VAL 78 -0.580 -3.499 1.927 538 HA VAL 78 HA VAL 78 -3.092 -1.985 1.641 539 HB VAL 78 HB VAL 78 -1.668 -1.995 -0.376 540 HG11 VAL 78 1HG1 VAL 78 -1.102 -4.587 0.300 541 HG12 VAL 78 2HG1 VAL 78 -2.207 -4.783 -1.062 542 HG13 VAL 78 3HG1 VAL 78 -0.733 -3.832 -1.249 543 HG21 VAL 78 1HG2 VAL 78 -4.085 -1.811 -0.604 544 HG22 VAL 78 2HG2 VAL 78 -3.402 -2.716 -1.954 545 HG23 VAL 78 3HG2 VAL 78 -4.228 -3.569 -0.650 546 H GLN 79 H GLN 79 -5.046 -3.097 1.462 547 HA GLN 79 HA GLN 79 -5.028 -5.991 1.838 548 HB2 GLN 79 1HB GLN 79 -6.330 -5.990 3.801 549 HB3 GLN 79 2HB GLN 79 -5.065 -4.804 4.096 550 HG2 GLN 79 1HG GLN 79 -6.547 -2.998 3.775 551 HG3 GLN 79 2HG GLN 79 -7.790 -4.045 3.095 552 HE21 GLN 79 1HE2 GLN 79 -9.022 -5.330 4.464 553 HE22 GLN 79 2HE2 GLN 79 -9.090 -5.057 6.169 554 H ALA 80 H ALA 80 -7.038 -7.007 1.350 555 HA ALA 80 HA ALA 80 -8.676 -5.410 -0.483 556 HB1 ALA 80 1HB ALA 80 -7.840 -8.220 -0.367 557 HB2 ALA 80 2HB ALA 80 -9.520 -7.965 -0.846 558 HB3 ALA 80 3HB ALA 80 -8.217 -7.200 -1.757 559 H LEU 81 H LEU 81 -10.666 -4.802 0.052 560 HA LEU 81 HA LEU 81 -11.889 -5.964 2.450 561 HB2 LEU 81 1HB LEU 81 -12.287 -3.379 0.979 562 HB3 LEU 81 2HB LEU 81 -13.450 -3.952 2.172 563 HG LEU 81 HG LEU 81 -11.264 -4.077 3.680 564 HD11 LEU 81 1HD1 LEU 81 -9.719 -2.309 3.217 565 HD12 LEU 81 2HD1 LEU 81 -10.650 -1.795 1.812 566 HD13 LEU 81 3HD1 LEU 81 -9.815 -3.347 1.795 567 HD21 LEU 81 1HD2 LEU 81 -13.255 -1.978 3.128 568 HD22 LEU 81 2HD2 LEU 81 -11.829 -1.462 4.029 569 HD23 LEU 81 3HD2 LEU 81 -12.832 -2.776 4.643 570 H SER 82 H SER 82 -13.721 -7.119 2.378 571 HA SER 82 HA SER 82 -15.021 -7.430 -0.245 572 HB2 SER 82 1HB SER 82 -15.866 -9.619 0.795 573 HB3 SER 82 2HB SER 82 -14.152 -9.536 0.387 574 HG SER 82 HG SER 82 -14.428 -10.381 2.467 575 H VAL 83 H VAL 83 -17.375 -8.497 0.295 576 HA VAL 83 HA VAL 83 -18.766 -6.354 1.714 577 HB VAL 83 HB VAL 83 -20.821 -7.571 0.710 578 HG11 VAL 83 1HG1 VAL 83 -18.832 -6.208 -1.102 579 HG12 VAL 83 2HG1 VAL 83 -20.567 -6.359 -1.386 580 HG13 VAL 83 3HG1 VAL 83 -19.975 -5.394 -0.033 581 HG21 VAL 83 1HG2 VAL 83 -19.268 -9.563 0.114 582 HG22 VAL 83 2HG2 VAL 83 -20.516 -9.070 -1.031 583 HG23 VAL 83 3HG2 VAL 83 -18.841 -8.585 -1.291 584 H VAL 84 H VAL 84 -17.473 -9.177 2.596 585 HA VAL 84 HA VAL 84 -19.645 -9.780 4.497 586 HB VAL 84 HB VAL 84 -19.056 -11.566 2.731 587 HG11 VAL 84 1HG1 VAL 84 -16.774 -12.050 4.639 588 HG12 VAL 84 2HG1 VAL 84 -17.174 -12.977 3.192 589 HG13 VAL 84 3HG1 VAL 84 -16.596 -11.317 3.046 590 HG21 VAL 84 1HG2 VAL 84 -20.474 -12.010 4.645 591 HG22 VAL 84 2HG2 VAL 84 -19.391 -13.375 4.372 592 HG23 VAL 84 3HG2 VAL 84 -19.059 -12.231 5.674 593 H GLY 85 H GLY 85 -16.313 -9.032 4.022 594 HA2 GLY 85 1HA GLY 85 -15.941 -8.577 6.831 595 HA3 GLY 85 2HA GLY 85 -15.038 -9.971 6.255 596 H ALA 86 H ALA 86 -12.975 -9.338 6.202 597 HA ALA 86 HA ALA 86 -12.147 -7.392 4.277 598 HB1 ALA 86 1HB ALA 86 -11.753 -6.742 7.195 599 HB2 ALA 86 2HB ALA 86 -10.984 -5.894 5.853 600 HB3 ALA 86 3HB ALA 86 -12.738 -5.845 6.039 601 H GLY 87 H GLY 87 -10.335 -8.166 3.422 602 HA2 GLY 87 1HA GLY 87 -8.951 -10.372 4.527 603 HA3 GLY 87 2HA GLY 87 -8.428 -9.415 3.149 604 HA PRO 88 HA PRO 88 -5.916 -8.602 7.149 605 HB2 PRO 88 1HB PRO 88 -3.817 -10.269 6.723 606 HB3 PRO 88 2HB PRO 88 -5.255 -10.747 7.633 607 HG2 PRO 88 1HG PRO 88 -4.545 -11.312 4.780 608 HG3 PRO 88 2HG PRO 88 -5.244 -12.399 5.996 609 HD2 PRO 88 1HD PRO 88 -6.738 -11.196 4.084 610 HD3 PRO 88 2HD PRO 88 -7.372 -11.562 5.701 611 H PHE 89 H PHE 89 -3.815 -7.557 7.199 612 HA PHE 89 HA PHE 89 -3.279 -6.140 4.747 613 HB2 PHE 89 1HB PHE 89 -2.402 -5.908 7.590 614 HB3 PHE 89 2HB PHE 89 -1.392 -5.174 6.348 615 HD1 PHE 89 2HD PHE 89 -2.593 -3.601 4.678 616 HD2 PHE 89 1HD PHE 89 -4.196 -4.743 8.452 617 HE1 PHE 89 2HE PHE 89 -4.069 -1.633 4.642 618 HE2 PHE 89 1HE PHE 89 -5.677 -2.778 8.421 619 HZ PHE 89 HZ PHE 89 -5.614 -1.220 6.515 620 H SER 90 H SER 90 -1.575 -6.365 3.403 621 HA SER 90 HA SER 90 -0.175 -8.777 3.280 622 HB2 SER 90 1HB SER 90 1.194 -7.697 1.544 623 HB3 SER 90 2HB SER 90 -0.518 -7.326 1.327 624 HG SER 90 HG SER 90 1.551 -5.646 1.742 625 H GLU 91 H GLU 91 2.431 -8.458 2.908 626 HA GLU 91 HA GLU 91 3.437 -8.165 5.575 627 HB2 GLU 91 1HB GLU 91 4.751 -8.796 2.936 628 HB3 GLU 91 2HB GLU 91 5.661 -8.651 4.433 629 HG2 GLU 91 1HG GLU 91 4.243 -10.442 5.402 630 HG3 GLU 91 2HG GLU 91 3.488 -10.639 3.821 631 H VAL 92 H VAL 92 3.881 -6.264 6.454 632 HA VAL 92 HA VAL 92 3.957 -3.800 5.340 633 HB VAL 92 HB VAL 92 5.742 -4.740 7.589 634 HG11 VAL 92 1HG1 VAL 92 5.980 -2.381 6.284 635 HG12 VAL 92 2HG1 VAL 92 4.800 -1.955 7.526 636 HG13 VAL 92 3HG1 VAL 92 6.370 -2.616 7.987 637 HG21 VAL 92 1HG2 VAL 92 3.428 -5.198 8.072 638 HG22 VAL 92 2HG2 VAL 92 3.946 -3.811 9.030 639 HG23 VAL 92 3HG2 VAL 92 2.963 -3.567 7.586 640 H VAL 93 H VAL 93 5.022 -3.119 3.603 641 HA VAL 93 HA VAL 93 7.716 -4.106 3.057 642 HB VAL 93 HB VAL 93 5.876 -2.403 1.369 643 HG11 VAL 93 1HG1 VAL 93 8.603 -2.507 1.194 644 HG12 VAL 93 2HG1 VAL 93 8.107 -3.770 0.066 645 HG13 VAL 93 3HG1 VAL 93 7.511 -2.122 -0.136 646 HG21 VAL 93 1HG2 VAL 93 6.665 -5.300 1.071 647 HG22 VAL 93 2HG2 VAL 93 5.120 -4.730 1.705 648 HG23 VAL 93 3HG2 VAL 93 5.564 -4.396 0.031 649 H ALA 94 H ALA 94 9.233 -3.023 4.166 650 HA ALA 94 HA ALA 94 8.997 -0.215 4.752 651 HB1 ALA 94 1HB ALA 94 10.047 -1.793 6.325 652 HB2 ALA 94 2HB ALA 94 11.351 -2.053 5.166 653 HB3 ALA 94 3HB ALA 94 11.118 -0.461 5.888 654 H CYS 95 H CYS 95 10.377 1.441 4.018 655 HA CYS 95 HA CYS 95 12.261 0.943 1.898 656 HB2 CYS 95 1HB CYS 95 11.150 2.195 0.170 657 HB3 CYS 95 2HB CYS 95 10.054 0.935 0.722 658 HG CYS 95 HG CYS 95 8.549 2.706 2.335 659 H VAL 96 H VAL 96 13.827 2.436 1.934 660 HA VAL 96 HA VAL 96 13.397 4.816 3.604 661 HB VAL 96 HB VAL 96 15.971 3.471 2.771 662 HG11 VAL 96 1HG1 VAL 96 16.128 5.418 4.922 663 HG12 VAL 96 2HG1 VAL 96 17.128 5.244 3.478 664 HG13 VAL 96 3HG1 VAL 96 15.607 6.137 3.398 665 HG21 VAL 96 1HG2 VAL 96 14.161 3.112 5.004 666 HG22 VAL 96 2HG2 VAL 96 15.534 2.129 4.498 667 HG23 VAL 96 3HG2 VAL 96 15.790 3.530 5.538 668 H THR 97 H THR 97 13.326 6.762 2.700 669 HA THR 97 HA THR 97 13.640 7.072 -0.132 670 HB THR 97 HB THR 97 13.326 9.583 0.538 671 HG1 THR 97 1HG THR 97 13.247 9.850 2.630 672 HG21 THR 97 1HG2 THR 97 11.513 7.376 0.175 673 HG22 THR 97 2HG2 THR 97 11.348 9.053 -0.344 674 HG23 THR 97 3HG2 THR 97 10.813 8.571 1.266 675 HA PRO 98 HA PRO 98 17.858 8.299 -0.334 676 HB2 PRO 98 1HB PRO 98 17.778 9.895 -2.529 677 HB3 PRO 98 2HB PRO 98 17.652 8.134 -2.617 678 HG2 PRO 98 1HG PRO 98 15.483 10.195 -2.701 679 HG3 PRO 98 2HG PRO 98 15.678 8.735 -3.689 680 HD2 PRO 98 1HD PRO 98 13.991 8.848 -1.574 681 HD3 PRO 98 2HD PRO 98 14.832 7.357 -2.046 682 HA PRO 99 HA PRO 99 18.219 12.171 1.753 683 HB2 PRO 99 1HB PRO 99 20.864 12.626 1.348 684 HB3 PRO 99 2HB PRO 99 20.261 11.415 2.485 685 HG2 PRO 99 1HG PRO 99 21.275 11.052 -0.308 686 HG3 PRO 99 2HG PRO 99 21.598 10.074 1.135 687 HD2 PRO 99 1HD PRO 99 19.799 9.338 -0.750 688 HD3 PRO 99 2HD PRO 99 19.599 8.938 0.967 689 H SER 100 H SER 100 18.384 14.381 1.356 690 HA SER 100 HA SER 100 18.639 15.122 -1.485 691 HB2 SER 100 1HB SER 100 16.358 15.407 -0.518 692 HB3 SER 100 2HB SER 100 17.031 16.544 0.651 693 HG SER 100 HG SER 100 16.164 17.630 -1.153 694 H SER 101 H SER 101 20.882 15.488 -1.325 695 HA SER 101 HA SER 101 21.701 17.710 0.416 696 HB2 SER 101 1HB SER 101 23.199 15.433 -0.849 697 HB3 SER 101 2HB SER 101 24.054 16.889 -0.340 698 HG SER 101 HG SER 101 23.565 16.474 1.732 699 H GLY 102 H GLY 102 22.136 16.491 -2.904 700 HA2 GLY 102 1HA GLY 102 21.674 18.064 -4.732 701 HA3 GLY 102 2HA GLY 102 22.462 19.300 -3.763 702 HA PRO 103 HA PRO 103 25.440 17.114 -6.755 703 HB2 PRO 103 1HB PRO 103 25.709 19.124 -8.560 704 HB3 PRO 103 2HB PRO 103 24.491 17.853 -8.713 705 HG2 PRO 103 1HG PRO 103 24.196 20.643 -7.671 706 HG3 PRO 103 2HG PRO 103 23.121 19.732 -8.748 707 HD2 PRO 103 1HD PRO 103 22.626 20.021 -6.103 708 HD3 PRO 103 2HD PRO 103 22.156 18.569 -7.008 709 H SER 104 H SER 104 25.162 20.143 -5.124 710 HA SER 104 HA SER 104 27.961 20.829 -5.435 711 HB2 SER 104 1HB SER 104 27.433 22.789 -4.088 712 HB3 SER 104 2HB SER 104 26.212 22.591 -5.345 713 HG SER 104 HG SER 104 25.014 22.885 -3.578 714 H SER 105 H SER 105 29.296 19.465 -4.391 715 HA SER 105 HA SER 105 28.827 19.068 -1.509 716 HB2 SER 105 1HB SER 105 28.457 16.935 -2.510 717 HB3 SER 105 2HB SER 105 29.871 17.101 -3.551 718 HG SER 105 HG SER 105 31.181 16.719 -1.859 719 H GLY 106 H GLY 106 31.407 18.777 -3.965 720 HA2 GLY 106 1HA GLY 106 33.143 20.676 -3.378 721 HA3 GLY 106 2HA GLY 106 33.360 19.646 -1.971 Start of MODEL 20 1 H1 GLY 1 H GLY 1 -18.548 -32.004 3.228 2 HA2 GLY 1 1HA GLY 1 -17.537 -30.914 1.364 3 HA3 GLY 1 2HA GLY 1 -19.259 -30.625 1.171 4 H SER 2 H SER 2 -16.875 -29.038 0.359 5 HA SER 2 HA SER 2 -17.735 -26.501 1.563 6 HB2 SER 2 1HB SER 2 -14.881 -27.409 1.144 7 HB3 SER 2 2HB SER 2 -15.335 -25.739 1.479 8 HG SER 2 HG SER 2 -16.523 -26.935 3.345 9 H SER 3 H SER 3 -17.881 -24.794 0.178 10 HA SER 3 HA SER 3 -17.236 -25.345 -2.646 11 HB2 SER 3 1HB SER 3 -19.479 -23.673 -1.489 12 HB3 SER 3 2HB SER 3 -19.106 -23.798 -3.208 13 HG SER 3 HG SER 3 -20.680 -25.289 -2.792 14 H GLY 4 H GLY 4 -17.685 -22.659 -0.340 15 HA2 GLY 4 1HA GLY 4 -15.328 -21.365 -1.515 16 HA3 GLY 4 2HA GLY 4 -16.832 -20.459 -1.439 17 H SER 5 H SER 5 -14.227 -19.946 -0.163 18 HA SER 5 HA SER 5 -14.846 -20.293 2.674 19 HB2 SER 5 1HB SER 5 -12.599 -20.863 2.226 20 HB3 SER 5 2HB SER 5 -12.363 -19.462 1.182 21 HG SER 5 HG SER 5 -12.813 -19.365 3.984 22 H SER 6 H SER 6 -15.600 -18.699 3.914 23 HA SER 6 HA SER 6 -16.537 -16.290 2.849 24 HB2 SER 6 1HB SER 6 -17.545 -17.142 4.848 25 HB3 SER 6 2HB SER 6 -16.005 -17.128 5.704 26 HG SER 6 HG SER 6 -16.408 -15.149 6.236 27 H GLY 7 H GLY 7 -15.129 -14.935 1.876 28 HA2 GLY 7 1HA GLY 7 -13.802 -12.956 2.267 29 HA3 GLY 7 2HA GLY 7 -13.006 -13.808 3.582 30 HA PRO 8 HA PRO 8 -10.872 -14.316 -0.712 31 HB2 PRO 8 1HB PRO 8 -9.273 -12.124 -0.786 32 HB3 PRO 8 2HB PRO 8 -10.890 -12.158 -1.498 33 HG2 PRO 8 1HG PRO 8 -10.004 -11.051 1.138 34 HG3 PRO 8 2HG PRO 8 -11.123 -10.355 -0.048 35 HD2 PRO 8 1HD PRO 8 -11.974 -11.632 2.182 36 HD3 PRO 8 2HD PRO 8 -12.885 -11.662 0.658 37 H ASP 9 H ASP 9 -8.263 -13.886 -0.939 38 HA ASP 9 HA ASP 9 -7.151 -15.168 1.456 39 HB2 ASP 9 1HB ASP 9 -6.386 -15.191 -1.448 40 HB3 ASP 9 2HB ASP 9 -5.203 -15.619 -0.215 41 H GLN 10 H GLN 10 -4.925 -14.598 2.070 42 HA GLN 10 HA GLN 10 -4.587 -11.995 2.782 43 HB2 GLN 10 1HB GLN 10 -3.211 -13.917 3.577 44 HB3 GLN 10 2HB GLN 10 -2.321 -13.860 2.061 45 HG2 GLN 10 1HG GLN 10 -1.935 -11.358 2.756 46 HG3 GLN 10 2HG GLN 10 -2.262 -11.990 4.369 47 HE21 GLN 10 1HE2 GLN 10 0.126 -11.280 2.277 48 HE22 GLN 10 2HE2 GLN 10 1.349 -12.366 2.831 49 H CYS 11 H CYS 11 -3.525 -10.187 1.986 50 HA CYS 11 HA CYS 11 -3.374 -10.058 -0.917 51 HB2 CYS 11 1HB CYS 11 -3.357 -7.979 1.263 52 HB3 CYS 11 2HB CYS 11 -2.982 -7.572 -0.408 53 HG CYS 11 HG CYS 11 -5.785 -9.291 -0.304 54 H LYS 12 H LYS 12 -1.558 -9.456 -2.079 55 HA LYS 12 HA LYS 12 0.964 -10.123 -0.828 56 HB2 LYS 12 1HB LYS 12 0.217 -9.413 -3.667 57 HB3 LYS 12 2HB LYS 12 1.861 -9.779 -3.160 58 HG2 LYS 12 1HG LYS 12 -0.408 -11.694 -2.724 59 HG3 LYS 12 2HG LYS 12 0.531 -11.660 -4.219 60 HD2 LYS 12 1HD LYS 12 2.592 -11.899 -2.752 61 HD3 LYS 12 2HD LYS 12 1.483 -12.278 -1.432 62 HE2 LYS 12 1HE LYS 12 0.617 -14.174 -2.651 63 HE3 LYS 12 2HE LYS 12 1.595 -13.757 -4.058 64 HZ1 LYS 12 1HZ LYS 12 2.830 -15.396 -3.041 65 HZ2 LYS 12 2HZ LYS 12 2.457 -14.878 -1.475 66 HZ3 LYS 12 3HZ LYS 12 3.549 -13.997 -2.419 67 HA PRO 13 HA PRO 13 2.430 -6.053 -0.072 68 HB2 PRO 13 1HB PRO 13 5.090 -6.374 -0.507 69 HB3 PRO 13 2HB PRO 13 4.263 -7.029 0.912 70 HG2 PRO 13 1HG PRO 13 5.053 -8.408 -1.626 71 HG3 PRO 13 2HG PRO 13 5.193 -8.978 0.047 72 HD2 PRO 13 1HD PRO 13 3.200 -9.776 -1.603 73 HD3 PRO 13 2HD PRO 13 2.978 -9.606 0.150 74 HA PRO 14 HA PRO 14 2.486 -4.128 -4.078 75 HB2 PRO 14 1HB PRO 14 2.781 -1.576 -3.198 76 HB3 PRO 14 2HB PRO 14 1.247 -2.451 -3.112 77 HG2 PRO 14 1HG PRO 14 3.290 -1.996 -0.972 78 HG3 PRO 14 2HG PRO 14 1.523 -1.895 -0.871 79 HD2 PRO 14 1HD PRO 14 2.912 -4.051 -0.002 80 HD3 PRO 14 2HD PRO 14 1.279 -4.180 -0.686 81 H GLN 15 H GLN 15 3.928 -2.818 -5.383 82 HA GLN 15 HA GLN 15 6.723 -3.150 -4.562 83 HB2 GLN 15 1HB GLN 15 5.685 -4.056 -6.785 84 HB3 GLN 15 2HB GLN 15 5.878 -2.396 -7.336 85 HG2 GLN 15 1HG GLN 15 8.150 -2.518 -7.365 86 HG3 GLN 15 2HG GLN 15 8.213 -3.722 -6.079 87 HE21 GLN 15 1HE2 GLN 15 8.879 -5.629 -6.719 88 HE22 GLN 15 2HE2 GLN 15 8.652 -6.323 -8.285 89 H VAL 16 H VAL 16 7.652 -1.421 -3.704 90 HA VAL 16 HA VAL 16 6.655 1.243 -4.268 91 HB VAL 16 HB VAL 16 8.506 1.921 -2.653 92 HG11 VAL 16 1HG1 VAL 16 6.593 -0.035 -1.427 93 HG12 VAL 16 2HG1 VAL 16 7.153 1.515 -0.797 94 HG13 VAL 16 3HG1 VAL 16 6.026 1.469 -2.153 95 HG21 VAL 16 1HG2 VAL 16 8.650 -0.718 -1.468 96 HG22 VAL 16 2HG2 VAL 16 9.354 -0.685 -3.084 97 HG23 VAL 16 3HG2 VAL 16 9.943 0.420 -1.843 98 H THR 17 H THR 17 7.719 2.844 -5.353 99 HA THR 17 HA THR 17 10.333 2.201 -6.533 100 HB THR 17 HB THR 17 7.938 3.274 -8.033 101 HG1 THR 17 1HG THR 17 8.142 1.374 -9.194 102 HG21 THR 17 1HG2 THR 17 10.853 3.328 -8.649 103 HG22 THR 17 2HG2 THR 17 9.598 4.510 -9.025 104 HG23 THR 17 3HG2 THR 17 9.721 3.022 -9.966 105 H CYS 18 H CYS 18 11.367 3.625 -5.135 106 HA CYS 18 HA CYS 18 10.628 6.160 -4.388 107 HB2 CYS 18 1HB CYS 18 13.012 6.625 -4.040 108 HB3 CYS 18 2HB CYS 18 12.593 5.010 -3.482 109 HG CYS 18 HG CYS 18 14.645 4.015 -4.661 110 H ARG 19 H ARG 19 9.719 7.509 -5.853 111 HA ARG 19 HA ARG 19 10.715 7.873 -8.496 112 HB2 ARG 19 1HB ARG 19 8.676 9.277 -6.800 113 HB3 ARG 19 2HB ARG 19 9.174 9.967 -8.339 114 HG2 ARG 19 1HG ARG 19 8.153 7.155 -8.076 115 HG3 ARG 19 2HG ARG 19 7.096 8.539 -8.365 116 HD2 ARG 19 1HD ARG 19 9.468 8.126 -10.124 117 HD3 ARG 19 2HD ARG 19 8.040 7.120 -10.363 118 HE ARG 19 HE ARG 19 7.367 9.882 -10.223 119 HH11 ARG 19 1HH1 ARG 19 8.676 7.434 -12.325 120 HH12 ARG 19 2HH1 ARG 19 8.177 8.233 -13.780 121 HH21 ARG 19 1HH2 ARG 19 6.704 10.941 -12.131 122 HH22 ARG 19 2HH2 ARG 19 7.057 10.227 -13.668 123 H SER 20 H SER 20 11.171 9.539 -5.439 124 HA SER 20 HA SER 20 13.602 10.723 -6.283 125 HB2 SER 20 1HB SER 20 11.748 12.164 -7.394 126 HB3 SER 20 2HB SER 20 11.470 12.781 -5.764 127 HG SER 20 HG SER 20 14.090 12.722 -6.743 128 H ALA 21 H ALA 21 14.155 12.603 -4.586 129 HA ALA 21 HA ALA 21 14.410 11.388 -2.104 130 HB1 ALA 21 1HB ALA 21 15.916 13.041 -2.128 131 HB2 ALA 21 2HB ALA 21 14.952 14.028 -3.228 132 HB3 ALA 21 3HB ALA 21 14.612 14.047 -1.497 133 H THR 22 H THR 22 11.856 13.412 -3.363 134 HA THR 22 HA THR 22 10.391 13.044 -0.833 135 HB THR 22 HB THR 22 9.421 15.196 -0.969 136 HG1 THR 22 1HG THR 22 8.978 15.543 -3.078 137 HG21 THR 22 1HG2 THR 22 12.249 15.709 -1.862 138 HG22 THR 22 2HG2 THR 22 11.867 15.051 -0.272 139 HG23 THR 22 3HG2 THR 22 11.269 16.645 -0.733 140 H CYS 23 H CYS 23 10.466 11.595 -3.493 141 HA CYS 23 HA CYS 23 7.563 11.635 -3.938 142 HB2 CYS 23 1HB CYS 23 9.535 11.254 -6.188 143 HB3 CYS 23 2HB CYS 23 7.799 11.524 -6.300 144 HG CYS 23 HG CYS 23 8.208 14.181 -5.072 145 H ALA 24 H ALA 24 6.612 9.662 -4.258 146 HA ALA 24 HA ALA 24 8.271 7.297 -4.608 147 HB1 ALA 24 1HB ALA 24 6.891 7.992 -2.079 148 HB2 ALA 24 2HB ALA 24 6.821 6.311 -2.607 149 HB3 ALA 24 3HB ALA 24 8.383 7.089 -2.348 150 H GLN 25 H GLN 25 7.034 5.380 -5.109 151 HA GLN 25 HA GLN 25 4.241 5.881 -5.858 152 HB2 GLN 25 1HB GLN 25 5.749 6.175 -7.838 153 HB3 GLN 25 2HB GLN 25 6.232 4.495 -7.657 154 HG2 GLN 25 1HG GLN 25 3.734 3.959 -7.845 155 HG3 GLN 25 2HG GLN 25 3.570 5.605 -8.456 156 HE21 GLN 25 1HE2 GLN 25 2.762 3.879 -10.175 157 HE22 GLN 25 2HE2 GLN 25 3.916 3.554 -11.419 158 H VAL 26 H VAL 26 2.885 4.098 -5.791 159 HA VAL 26 HA VAL 26 4.072 1.584 -4.824 160 HB VAL 26 HB VAL 26 1.492 2.751 -3.776 161 HG11 VAL 26 1HG1 VAL 26 1.704 0.985 -2.077 162 HG12 VAL 26 2HG1 VAL 26 1.571 0.326 -3.709 163 HG13 VAL 26 3HG1 VAL 26 3.139 0.379 -2.904 164 HG21 VAL 26 1HG2 VAL 26 2.573 3.754 -2.073 165 HG22 VAL 26 2HG2 VAL 26 3.799 2.491 -1.968 166 HG23 VAL 26 3HG2 VAL 26 3.937 3.753 -3.193 167 H ASN 27 H ASN 27 2.765 -0.317 -5.195 168 HA ASN 27 HA ASN 27 0.480 -0.125 -6.943 169 HB2 ASN 27 1HB ASN 27 3.176 -0.932 -7.945 170 HB3 ASN 27 2HB ASN 27 1.764 -1.779 -8.568 171 HD21 ASN 27 1HD2 ASN 27 3.686 0.987 -8.768 172 HD22 ASN 27 2HD2 ASN 27 2.713 1.882 -9.881 173 H TRP 28 H TRP 28 -0.873 -1.748 -6.521 174 HA TRP 28 HA TRP 28 0.223 -4.184 -5.274 175 HB2 TRP 28 1HB TRP 28 -1.980 -4.319 -4.041 176 HB3 TRP 28 2HB TRP 28 -0.919 -3.002 -3.546 177 HD1 TRP 28 HD TRP 28 -4.343 -3.692 -4.948 178 HE1 TRP 28 1HE TRP 28 -5.613 -1.472 -5.245 179 HE3 TRP 28 3HE TRP 28 -0.484 -0.433 -4.156 180 HZ2 TRP 28 2HZ TRP 28 -5.053 1.293 -5.156 181 HZ3 TRP 28 3HZ TRP 28 -0.935 1.983 -4.280 182 HH2 TRP 28 HH TRP 28 -3.174 2.826 -4.770 183 H GLU 29 H GLU 29 -1.753 -5.893 -5.267 184 HA GLU 29 HA GLU 29 -3.091 -5.879 -7.862 185 HB2 GLU 29 1HB GLU 29 -1.282 -8.125 -6.955 186 HB3 GLU 29 2HB GLU 29 -2.303 -8.153 -8.385 187 HG2 GLU 29 1HG GLU 29 -1.012 -6.511 -9.467 188 HG3 GLU 29 2HG GLU 29 -0.169 -6.083 -7.979 189 H VAL 30 H VAL 30 -4.497 -7.939 -8.049 190 HA VAL 30 HA VAL 30 -5.939 -8.205 -5.512 191 HB VAL 30 HB VAL 30 -6.930 -9.211 -8.164 192 HG11 VAL 30 1HG1 VAL 30 -8.106 -8.559 -5.503 193 HG12 VAL 30 2HG1 VAL 30 -9.109 -8.405 -6.948 194 HG13 VAL 30 3HG1 VAL 30 -8.376 -9.957 -6.543 195 HG21 VAL 30 1HG2 VAL 30 -6.169 -6.771 -8.244 196 HG22 VAL 30 2HG2 VAL 30 -7.824 -7.123 -8.743 197 HG23 VAL 30 3HG2 VAL 30 -7.509 -6.447 -7.144 198 HA PRO 31 HA PRO 31 -4.250 -12.291 -5.048 199 HB2 PRO 31 1HB PRO 31 -5.729 -12.977 -2.877 200 HB3 PRO 31 2HB PRO 31 -4.334 -11.894 -2.786 201 HG2 PRO 31 1HG PRO 31 -7.251 -11.223 -2.880 202 HG3 PRO 31 2HG PRO 31 -5.973 -10.522 -1.869 203 HD2 PRO 31 1HD PRO 31 -6.894 -9.303 -4.105 204 HD3 PRO 31 2HD PRO 31 -5.211 -9.154 -3.561 205 H LEU 32 H LEU 32 -5.135 -14.534 -4.819 206 HA LEU 32 HA LEU 32 -7.006 -15.077 -6.838 207 HB2 LEU 32 1HB LEU 32 -5.231 -16.622 -6.024 208 HB3 LEU 32 2HB LEU 32 -6.196 -16.893 -4.574 209 HG LEU 32 HG LEU 32 -7.996 -17.825 -6.013 210 HD11 LEU 32 1HD1 LEU 32 -7.176 -18.557 -8.325 211 HD12 LEU 32 2HD1 LEU 32 -5.950 -17.303 -8.143 212 HD13 LEU 32 3HD1 LEU 32 -7.661 -16.874 -8.118 213 HD21 LEU 32 1HD2 LEU 32 -5.458 -18.979 -5.349 214 HD22 LEU 32 2HD2 LEU 32 -6.065 -19.689 -6.846 215 HD23 LEU 32 3HD2 LEU 32 -7.052 -19.733 -5.385 216 H SER 33 H SER 33 -9.021 -14.269 -6.640 217 HA SER 33 HA SER 33 -10.555 -15.061 -4.250 218 HB2 SER 33 1HB SER 33 -11.111 -12.599 -5.909 219 HB3 SER 33 2HB SER 33 -11.790 -13.019 -4.337 220 HG SER 33 HG SER 33 -10.110 -12.162 -3.421 221 H ASN 34 H ASN 34 -11.208 -16.983 -5.318 222 HA ASN 34 HA ASN 34 -12.737 -16.753 -7.775 223 HB2 ASN 34 1HB ASN 34 -13.045 -19.290 -7.318 224 HB3 ASN 34 2HB ASN 34 -11.448 -18.702 -7.773 225 HD21 ASN 34 1HD2 ASN 34 -9.983 -18.178 -5.946 226 HD22 ASN 34 2HD2 ASN 34 -10.027 -19.213 -4.563 227 H GLY 35 H GLY 35 -14.047 -15.234 -6.063 228 HA2 GLY 35 1HA GLY 35 -16.631 -16.246 -5.985 229 HA3 GLY 35 2HA GLY 35 -15.934 -16.552 -4.403 230 H THR 36 H THR 36 -14.788 -14.553 -3.449 231 HA THR 36 HA THR 36 -16.749 -12.431 -3.405 232 HB THR 36 HB THR 36 -15.187 -11.446 -1.656 233 HG1 THR 36 1HG THR 36 -13.738 -13.212 -0.822 234 HG21 THR 36 1HG2 THR 36 -16.386 -12.546 -0.111 235 HG22 THR 36 2HG2 THR 36 -15.756 -14.115 -0.613 236 HG23 THR 36 3HG2 THR 36 -17.114 -13.395 -1.474 237 H ASP 37 H ASP 37 -16.520 -10.382 -4.157 238 HA ASP 37 HA ASP 37 -14.171 -9.865 -5.838 239 HB2 ASP 37 1HB ASP 37 -17.025 -9.032 -5.939 240 HB3 ASP 37 2HB ASP 37 -15.829 -7.891 -6.547 241 H VAL 38 H VAL 38 -12.679 -8.487 -5.158 242 HA VAL 38 HA VAL 38 -12.737 -7.164 -2.716 243 HB VAL 38 HB VAL 38 -11.103 -6.282 -5.093 244 HG11 VAL 38 1HG1 VAL 38 -9.467 -5.950 -3.052 245 HG12 VAL 38 2HG1 VAL 38 -10.659 -4.721 -3.479 246 HG13 VAL 38 3HG1 VAL 38 -10.981 -5.839 -2.154 247 HG21 VAL 38 1HG2 VAL 38 -10.348 -8.398 -5.114 248 HG22 VAL 38 2HG2 VAL 38 -9.462 -7.915 -3.667 249 HG23 VAL 38 3HG2 VAL 38 -11.006 -8.754 -3.516 250 H THR 39 H THR 39 -14.229 -5.697 -2.177 251 HA THR 39 HA THR 39 -15.581 -3.997 -3.954 252 HB THR 39 HB THR 39 -16.144 -2.677 -1.834 253 HG1 THR 39 1HG THR 39 -15.642 -4.103 0.080 254 HG21 THR 39 1HG2 THR 39 -17.769 -4.202 -2.545 255 HG22 THR 39 2HG2 THR 39 -17.446 -4.688 -0.880 256 HG23 THR 39 3HG2 THR 39 -16.738 -5.595 -2.217 257 H GLU 40 H GLU 40 -13.247 -3.002 -1.441 258 HA GLU 40 HA GLU 40 -12.175 -1.015 -3.318 259 HB2 GLU 40 1HB GLU 40 -12.178 0.708 -1.613 260 HB3 GLU 40 2HB GLU 40 -13.813 0.105 -1.845 261 HG2 GLU 40 1HG GLU 40 -12.158 -1.123 0.291 262 HG3 GLU 40 2HG GLU 40 -12.802 0.497 0.554 263 H TYR 41 H TYR 41 -10.189 0.099 -2.131 264 HA TYR 41 HA TYR 41 -8.638 -1.972 -0.737 265 HB2 TYR 41 1HB TYR 41 -7.623 -0.283 -3.033 266 HB3 TYR 41 2HB TYR 41 -6.670 -1.436 -2.103 267 HD1 TYR 41 1HD TYR 41 -9.906 -1.400 -3.988 268 HD2 TYR 41 2HD TYR 41 -6.295 -3.471 -3.108 269 HE1 TYR 41 1HE TYR 41 -10.556 -3.186 -5.551 270 HE2 TYR 41 2HE TYR 41 -6.934 -5.261 -4.668 271 HH TYR 41 HH TYR 41 -9.202 -4.976 -6.966 272 H ARG 42 H ARG 42 -8.102 -1.174 1.176 273 HA ARG 42 HA ARG 42 -7.796 1.704 1.527 274 HB2 ARG 42 1HB ARG 42 -8.247 -0.618 3.336 275 HB3 ARG 42 2HB ARG 42 -7.423 0.787 4.000 276 HG2 ARG 42 1HG ARG 42 -9.297 2.202 3.421 277 HG3 ARG 42 2HG ARG 42 -10.114 0.841 2.650 278 HD2 ARG 42 1HD ARG 42 -9.845 -0.290 4.976 279 HD3 ARG 42 2HD ARG 42 -9.615 1.359 5.554 280 HE ARG 42 HE ARG 42 -11.934 1.213 3.953 281 HH11 ARG 42 1HH1 ARG 42 -10.720 0.275 7.079 282 HH12 ARG 42 2HH1 ARG 42 -12.279 0.304 7.836 283 HH21 ARG 42 1HH2 ARG 42 -13.990 1.255 4.939 284 HH22 ARG 42 2HH2 ARG 42 -14.138 0.860 6.619 285 H LEU 43 H LEU 43 -5.843 2.468 1.018 286 HA LEU 43 HA LEU 43 -3.468 0.883 1.680 287 HB2 LEU 43 1HB LEU 43 -3.545 1.593 -0.600 288 HB3 LEU 43 2HB LEU 43 -3.879 3.257 -0.125 289 HG LEU 43 HG LEU 43 -1.545 3.141 1.002 290 HD11 LEU 43 1HD1 LEU 43 -0.141 1.457 0.514 291 HD12 LEU 43 2HD1 LEU 43 -0.760 1.275 -1.126 292 HD13 LEU 43 3HD1 LEU 43 -1.627 0.551 0.227 293 HD21 LEU 43 1HD2 LEU 43 -0.481 3.784 -1.144 294 HD22 LEU 43 2HD2 LEU 43 -2.022 4.593 -0.854 295 HD23 LEU 43 3HD2 LEU 43 -1.934 3.243 -1.986 296 H GLU 44 H GLU 44 -2.275 1.383 3.391 297 HA GLU 44 HA GLU 44 -2.593 4.057 4.584 298 HB2 GLU 44 1HB GLU 44 -1.761 1.490 5.947 299 HB3 GLU 44 2HB GLU 44 -1.999 3.048 6.727 300 HG2 GLU 44 1HG GLU 44 -4.366 2.984 6.149 301 HG3 GLU 44 2HG GLU 44 -4.132 1.431 5.350 302 H TRP 45 H TRP 45 -0.868 5.341 4.716 303 HA TRP 45 HA TRP 45 1.801 4.144 4.391 304 HB2 TRP 45 1HB TRP 45 1.218 5.154 2.271 305 HB3 TRP 45 2HB TRP 45 0.742 6.649 3.072 306 HD1 TRP 45 HD TRP 45 2.940 7.819 4.521 307 HE1 TRP 45 1HE TRP 45 5.331 8.165 3.635 308 HE3 TRP 45 3HE TRP 45 2.907 4.383 0.736 309 HZ2 TRP 45 2HZ TRP 45 6.985 7.121 1.600 310 HZ3 TRP 45 3HZ TRP 45 4.934 4.119 -0.634 311 HH2 TRP 45 HH TRP 45 6.929 5.461 -0.210 312 H GLY 46 H GLY 46 3.051 4.562 6.083 313 HA2 GLY 46 1HA GLY 46 2.903 7.201 7.350 314 HA3 GLY 46 2HA GLY 46 2.651 5.787 8.363 315 H GLY 47 H GLY 47 4.852 7.998 7.801 316 HA2 GLY 47 1HA GLY 47 7.234 6.971 7.016 317 HA3 GLY 47 2HA GLY 47 7.087 8.064 8.385 318 H VAL 48 H VAL 48 5.688 6.371 10.144 319 HA VAL 48 HA VAL 48 7.713 4.287 10.645 320 HB VAL 48 HB VAL 48 6.281 6.104 12.566 321 HG11 VAL 48 1HG1 VAL 48 5.960 4.190 13.767 322 HG12 VAL 48 2HG1 VAL 48 7.330 3.361 13.024 323 HG13 VAL 48 3HG1 VAL 48 7.604 4.579 14.272 324 HG21 VAL 48 1HG2 VAL 48 8.250 7.150 12.261 325 HG22 VAL 48 2HG2 VAL 48 8.868 5.920 13.364 326 HG23 VAL 48 3HG2 VAL 48 9.035 5.705 11.621 327 H GLU 49 H GLU 49 6.986 2.269 10.655 328 HA GLU 49 HA GLU 49 4.450 1.453 10.049 329 HB2 GLU 49 1HB GLU 49 5.060 -0.747 10.796 330 HB3 GLU 49 2HB GLU 49 6.481 0.007 10.085 331 HG2 GLU 49 1HG GLU 49 7.408 0.450 12.245 332 HG3 GLU 49 2HG GLU 49 5.930 -0.090 13.040 333 H GLY 50 H GLY 50 5.703 2.390 13.168 334 HA2 GLY 50 1HA GLY 50 3.776 1.271 14.851 335 HA3 GLY 50 2HA GLY 50 4.665 2.750 15.183 336 H SER 51 H SER 51 3.675 4.244 12.955 337 HA SER 51 HA SER 51 0.817 4.466 13.619 338 HB2 SER 51 1HB SER 51 2.951 6.542 13.753 339 HB3 SER 51 2HB SER 51 1.357 7.041 13.186 340 HG SER 51 HG SER 51 0.782 7.051 15.195 341 H MET 52 H MET 52 -0.352 4.154 11.854 342 HA MET 52 HA MET 52 0.487 5.405 9.346 343 HB2 MET 52 1HB MET 52 -0.270 2.494 9.639 344 HB3 MET 52 2HB MET 52 -0.121 3.329 8.099 345 HG2 MET 52 1HG MET 52 2.209 3.656 8.407 346 HG3 MET 52 2HG MET 52 2.125 3.112 10.081 347 HE1 MET 52 1HE MET 52 1.026 2.112 6.579 348 HE2 MET 52 2HE MET 52 2.752 1.831 6.344 349 HE3 MET 52 3HE MET 52 1.631 0.469 6.362 350 H GLN 53 H GLN 53 -1.168 6.206 8.150 351 HA GLN 53 HA GLN 53 -3.906 5.567 9.023 352 HB2 GLN 53 1HB GLN 53 -2.650 8.248 8.511 353 HB3 GLN 53 2HB GLN 53 -4.387 8.022 8.358 354 HG2 GLN 53 1HG GLN 53 -2.880 7.286 10.846 355 HG3 GLN 53 2HG GLN 53 -3.535 8.899 10.571 356 HE21 GLN 53 1HE2 GLN 53 -5.525 9.263 11.241 357 HE22 GLN 53 2HE2 GLN 53 -6.708 8.060 11.610 358 H ILE 54 H ILE 54 -5.569 6.084 7.384 359 HA ILE 54 HA ILE 54 -4.972 4.889 4.915 360 HB ILE 54 HB ILE 54 -7.320 6.690 5.517 361 HG12 ILE 54 1HG1 ILE 54 -6.796 4.635 7.065 362 HG13 ILE 54 2HG1 ILE 54 -8.438 4.911 6.493 363 HG21 ILE 54 1HG2 ILE 54 -7.007 4.463 3.509 364 HG22 ILE 54 2HG2 ILE 54 -8.450 5.441 3.767 365 HG23 ILE 54 3HG2 ILE 54 -6.980 6.187 3.140 366 HD11 ILE 54 1HD1 ILE 54 -8.311 3.172 4.948 367 HD12 ILE 54 2HD1 ILE 54 -6.551 3.107 5.027 368 HD13 ILE 54 3HD1 ILE 54 -7.516 2.539 6.389 369 H CYS 55 H CYS 55 -4.477 5.680 2.931 370 HA CYS 55 HA CYS 55 -4.167 8.599 2.680 371 HB2 CYS 55 1HB CYS 55 -2.276 6.391 1.936 372 HB3 CYS 55 2HB CYS 55 -2.241 7.915 1.057 373 HG CYS 55 HG CYS 55 -1.707 7.533 4.416 374 H TYR 56 H TYR 56 -4.955 5.557 1.143 375 HA TYR 56 HA TYR 56 -6.374 7.027 -0.949 376 HB2 TYR 56 1HB TYR 56 -4.230 6.479 -1.964 377 HB3 TYR 56 2HB TYR 56 -4.405 4.794 -1.489 378 HD1 TYR 56 2HD TYR 56 -5.989 3.334 -2.652 379 HD2 TYR 56 1HD TYR 56 -5.430 7.375 -3.857 380 HE1 TYR 56 2HE TYR 56 -7.115 2.848 -4.784 381 HE2 TYR 56 1HE TYR 56 -6.555 6.901 -5.992 382 HH TYR 56 HH TYR 56 -6.880 4.319 -7.366 383 H CYS 57 H CYS 57 -8.278 6.121 -1.529 384 HA CYS 57 HA CYS 57 -8.856 3.383 -0.654 385 HB2 CYS 57 1HB CYS 57 -10.213 5.880 0.214 386 HB3 CYS 57 2HB CYS 57 -11.239 4.493 -0.131 387 HG CYS 57 HG CYS 57 -10.761 4.671 2.638 388 H GLY 58 H GLY 58 -9.603 2.238 -2.306 389 HA2 GLY 58 1HA GLY 58 -11.752 2.696 -3.894 390 HA3 GLY 58 2HA GLY 58 -10.462 3.550 -4.729 391 HA PRO 59 HA PRO 59 -10.599 -1.057 -5.834 392 HB2 PRO 59 1HB PRO 59 -11.467 -0.782 -8.392 393 HB3 PRO 59 2HB PRO 59 -12.565 -0.988 -7.022 394 HG2 PRO 59 1HG PRO 59 -11.766 1.519 -8.450 395 HG3 PRO 59 2HG PRO 59 -13.371 1.013 -7.891 396 HD2 PRO 59 1HD PRO 59 -11.845 2.785 -6.527 397 HD3 PRO 59 2HD PRO 59 -12.958 1.662 -5.718 398 H GLY 60 H GLY 60 -9.410 1.889 -7.244 399 HA2 GLY 60 1HA GLY 60 -7.817 1.099 -9.313 400 HA3 GLY 60 2HA GLY 60 -7.353 2.354 -8.174 401 H LEU 61 H LEU 61 -5.529 0.648 -9.482 402 HA LEU 61 HA LEU 61 -4.475 -0.854 -7.179 403 HB2 LEU 61 1HB LEU 61 -4.053 -1.609 -10.061 404 HB3 LEU 61 2HB LEU 61 -3.606 -2.534 -8.628 405 HG LEU 61 HG LEU 61 -6.467 -1.945 -9.358 406 HD11 LEU 61 1HD1 LEU 61 -5.537 -3.151 -11.215 407 HD12 LEU 61 2HD1 LEU 61 -6.522 -4.255 -10.256 408 HD13 LEU 61 3HD1 LEU 61 -4.764 -4.308 -10.132 409 HD21 LEU 61 1HD2 LEU 61 -5.104 -3.856 -7.475 410 HD22 LEU 61 2HD2 LEU 61 -6.796 -4.014 -7.950 411 HD23 LEU 61 3HD2 LEU 61 -6.251 -2.575 -7.086 412 H SER 62 H SER 62 -4.018 1.915 -8.228 413 HA SER 62 HA SER 62 -1.139 1.856 -8.035 414 HB2 SER 62 1HB SER 62 -0.859 3.246 -10.129 415 HB3 SER 62 2HB SER 62 -1.281 1.557 -10.407 416 HG SER 62 HG SER 62 -3.048 3.778 -10.459 417 H TYR 63 H TYR 63 -0.475 3.548 -6.880 418 HA TYR 63 HA TYR 63 -1.957 6.061 -6.983 419 HB2 TYR 63 1HB TYR 63 -2.986 4.838 -5.133 420 HB3 TYR 63 2HB TYR 63 -1.403 4.563 -4.413 421 HD1 TYR 63 1HD TYR 63 -3.696 7.314 -5.452 422 HD2 TYR 63 2HD TYR 63 -0.575 6.066 -2.843 423 HE1 TYR 63 1HE TYR 63 -3.907 9.422 -4.202 424 HE2 TYR 63 2HE TYR 63 -0.778 8.170 -1.584 425 HH TYR 63 HH TYR 63 -2.622 9.908 -1.188 426 H GLU 64 H GLU 64 -0.621 7.746 -7.046 427 HA GLU 64 HA GLU 64 2.217 7.288 -6.523 428 HB2 GLU 64 1HB GLU 64 1.540 8.280 -8.687 429 HB3 GLU 64 2HB GLU 64 0.849 9.648 -7.825 430 HG2 GLU 64 1HG GLU 64 2.961 10.404 -7.117 431 HG3 GLU 64 2HG GLU 64 3.740 8.890 -7.576 432 H ILE 65 H ILE 65 3.200 8.030 -4.763 433 HA ILE 65 HA ILE 65 1.762 9.966 -3.079 434 HB ILE 65 HB ILE 65 3.734 7.803 -2.396 435 HG12 ILE 65 1HG1 ILE 65 1.133 8.416 -1.025 436 HG13 ILE 65 2HG1 ILE 65 1.153 7.517 -2.536 437 HG21 ILE 65 1HG2 ILE 65 4.638 9.337 -0.992 438 HG22 ILE 65 2HG2 ILE 65 3.182 10.330 -0.964 439 HG23 ILE 65 3HG2 ILE 65 3.265 8.861 0.008 440 HD11 ILE 65 1HD1 ILE 65 1.073 5.991 -0.687 441 HD12 ILE 65 2HD1 ILE 65 2.643 5.858 -1.483 442 HD13 ILE 65 3HD1 ILE 65 2.497 6.738 0.038 443 H LYS 66 H LYS 66 2.743 11.812 -2.379 444 HA LYS 66 HA LYS 66 5.554 12.265 -3.025 445 HB2 LYS 66 1HB LYS 66 3.309 14.058 -3.965 446 HB3 LYS 66 2HB LYS 66 5.018 14.464 -4.052 447 HG2 LYS 66 1HG LYS 66 5.420 12.658 -5.590 448 HG3 LYS 66 2HG LYS 66 3.753 12.100 -5.423 449 HD2 LYS 66 1HD LYS 66 3.658 13.303 -7.394 450 HD3 LYS 66 2HD LYS 66 3.156 14.512 -6.210 451 HE2 LYS 66 1HE LYS 66 4.713 15.724 -7.357 452 HE3 LYS 66 2HE LYS 66 5.752 14.996 -6.134 453 HZ1 LYS 66 1HZ LYS 66 6.790 14.744 -8.245 454 HZ2 LYS 66 2HZ LYS 66 5.390 14.095 -8.937 455 HZ3 LYS 66 3HZ LYS 66 6.242 13.216 -7.769 456 H GLY 67 H GLY 67 6.038 14.713 -2.290 457 HA2 GLY 67 1HA GLY 67 6.122 16.234 -0.561 458 HA3 GLY 67 2HA GLY 67 4.547 15.650 -0.042 459 H LEU 68 H LEU 68 7.444 13.682 -0.415 460 HA LEU 68 HA LEU 68 7.270 13.019 2.435 461 HB2 LEU 68 1HB LEU 68 8.903 11.609 0.342 462 HB3 LEU 68 2HB LEU 68 8.439 11.015 1.935 463 HG LEU 68 HG LEU 68 6.453 11.541 -0.266 464 HD11 LEU 68 1HD1 LEU 68 8.328 9.334 0.085 465 HD12 LEU 68 2HD1 LEU 68 7.355 9.787 -1.314 466 HD13 LEU 68 3HD1 LEU 68 6.643 8.822 -0.021 467 HD21 LEU 68 1HD2 LEU 68 6.272 9.849 2.222 468 HD22 LEU 68 2HD2 LEU 68 4.981 10.179 1.066 469 HD23 LEU 68 3HD2 LEU 68 5.623 11.481 2.068 470 H SER 69 H SER 69 9.562 12.321 3.311 471 HA SER 69 HA SER 69 11.361 14.596 2.796 472 HB2 SER 69 1HB SER 69 10.315 14.347 5.104 473 HB3 SER 69 2HB SER 69 11.309 12.904 5.298 474 HG SER 69 HG SER 69 13.112 14.125 5.277 475 HA PRO 70 HA PRO 70 14.412 11.802 1.291 476 HB2 PRO 70 1HB PRO 70 16.618 13.332 1.698 477 HB3 PRO 70 2HB PRO 70 15.450 13.653 0.410 478 HG2 PRO 70 1HG PRO 70 15.710 14.947 3.096 479 HG3 PRO 70 2HG PRO 70 15.402 15.696 1.519 480 HD2 PRO 70 1HD PRO 70 13.435 15.226 3.318 481 HD3 PRO 70 2HD PRO 70 13.160 15.167 1.566 482 H ALA 71 H ALA 71 16.022 10.387 1.999 483 HA ALA 71 HA ALA 71 16.995 8.982 3.511 484 HB1 ALA 71 1HB ALA 71 17.730 11.717 4.436 485 HB2 ALA 71 2HB ALA 71 18.177 10.328 5.427 486 HB3 ALA 71 3HB ALA 71 18.746 10.443 3.762 487 H THR 72 H THR 72 14.325 8.994 3.884 488 HA THR 72 HA THR 72 14.099 8.757 6.803 489 HB THR 72 HB THR 72 12.078 10.070 4.982 490 HG1 THR 72 1HG THR 72 13.752 10.921 7.091 491 HG21 THR 72 1HG2 THR 72 11.805 9.031 7.793 492 HG22 THR 72 2HG2 THR 72 10.762 8.727 6.403 493 HG23 THR 72 3HG2 THR 72 10.775 10.317 7.165 494 H THR 73 H THR 73 13.016 6.984 7.516 495 HA THR 73 HA THR 73 12.476 4.907 5.604 496 HB THR 73 HB THR 73 11.933 4.844 8.575 497 HG1 THR 73 1HG THR 73 14.120 5.341 8.227 498 HG21 THR 73 1HG2 THR 73 12.554 2.355 8.041 499 HG22 THR 73 2HG2 THR 73 12.081 2.799 6.401 500 HG23 THR 73 3HG2 THR 73 10.925 2.950 7.724 501 H TYR 74 H TYR 74 10.528 4.031 5.032 502 HA TYR 74 HA TYR 74 8.093 5.173 6.193 503 HB2 TYR 74 1HB TYR 74 8.829 5.165 3.270 504 HB3 TYR 74 2HB TYR 74 7.161 5.295 3.815 505 HD1 TYR 74 1HD TYR 74 6.413 7.289 5.056 506 HD2 TYR 74 2HD TYR 74 10.347 7.012 3.460 507 HE1 TYR 74 1HE TYR 74 6.684 9.719 5.320 508 HE2 TYR 74 2HE TYR 74 10.630 9.442 3.721 509 HH TYR 74 HH TYR 74 8.223 11.407 5.354 510 H TYR 75 H TYR 75 6.131 3.943 5.546 511 HA TYR 75 HA TYR 75 6.653 1.188 4.722 512 HB2 TYR 75 1HB TYR 75 5.078 1.829 7.220 513 HB3 TYR 75 2HB TYR 75 5.497 0.233 6.606 514 HD1 TYR 75 1HD TYR 75 6.934 3.334 8.050 515 HD2 TYR 75 2HD TYR 75 7.532 -0.793 7.202 516 HE1 TYR 75 1HE TYR 75 8.982 3.358 9.410 517 HE2 TYR 75 2HE TYR 75 9.582 -0.781 8.562 518 HH TYR 75 HH TYR 75 11.143 1.986 9.508 519 H CYS 76 H CYS 76 4.753 0.036 4.053 520 HA CYS 76 HA CYS 76 2.274 1.522 3.799 521 HB2 CYS 76 1HB CYS 76 2.164 1.528 1.436 522 HB3 CYS 76 2HB CYS 76 3.769 2.133 1.825 523 HG CYS 76 HG CYS 76 3.545 -1.184 1.289 524 H ARG 77 H ARG 77 0.514 0.219 3.712 525 HA ARG 77 HA ARG 77 0.890 -2.628 3.147 526 HB2 ARG 77 1HB ARG 77 -0.312 -3.300 5.144 527 HB3 ARG 77 2HB ARG 77 1.091 -2.342 5.593 528 HG2 ARG 77 1HG ARG 77 -0.370 -0.378 5.869 529 HG3 ARG 77 2HG ARG 77 -1.764 -1.396 5.499 530 HD2 ARG 77 1HD ARG 77 -1.578 -1.183 7.882 531 HD3 ARG 77 2HD ARG 77 -1.158 -2.835 7.427 532 HE ARG 77 HE ARG 77 1.111 -1.085 7.642 533 HH11 ARG 77 1HH1 ARG 77 -1.053 -3.192 9.373 534 HH12 ARG 77 2HH1 ARG 77 0.073 -3.514 10.650 535 HH21 ARG 77 1HH2 ARG 77 2.602 -1.501 9.317 536 HH22 ARG 77 2HH2 ARG 77 2.151 -2.550 10.618 537 H VAL 78 H VAL 78 -0.673 -3.416 1.890 538 HA VAL 78 HA VAL 78 -3.165 -1.859 1.643 539 HB VAL 78 HB VAL 78 -1.726 -1.866 -0.393 540 HG11 VAL 78 1HG1 VAL 78 -0.679 -3.969 -0.362 541 HG12 VAL 78 2HG1 VAL 78 -2.214 -4.825 -0.206 542 HG13 VAL 78 3HG1 VAL 78 -1.795 -4.035 -1.726 543 HG21 VAL 78 1HG2 VAL 78 -3.959 -1.413 -0.844 544 HG22 VAL 78 2HG2 VAL 78 -3.606 -2.763 -1.924 545 HG23 VAL 78 3HG2 VAL 78 -4.480 -3.045 -0.419 546 H GLN 79 H GLN 79 -5.118 -2.934 1.592 547 HA GLN 79 HA GLN 79 -5.081 -5.845 1.936 548 HB2 GLN 79 1HB GLN 79 -6.386 -5.826 3.874 549 HB3 GLN 79 2HB GLN 79 -5.217 -4.543 4.153 550 HG2 GLN 79 1HG GLN 79 -6.833 -2.864 3.630 551 HG3 GLN 79 2HG GLN 79 -7.996 -4.079 3.104 552 HE21 GLN 79 1HE2 GLN 79 -8.933 -5.456 4.686 553 HE22 GLN 79 2HE2 GLN 79 -9.036 -4.957 6.337 554 H ALA 80 H ALA 80 -7.147 -6.872 1.525 555 HA ALA 80 HA ALA 80 -8.754 -5.322 -0.391 556 HB1 ALA 80 1HB ALA 80 -7.969 -8.187 -0.235 557 HB2 ALA 80 2HB ALA 80 -9.501 -7.770 -1.003 558 HB3 ALA 80 3HB ALA 80 -7.992 -7.095 -1.619 559 H LEU 81 H LEU 81 -10.749 -4.771 0.171 560 HA LEU 81 HA LEU 81 -11.991 -6.115 2.464 561 HB2 LEU 81 1HB LEU 81 -12.421 -3.430 1.187 562 HB3 LEU 81 2HB LEU 81 -13.558 -4.109 2.350 563 HG LEU 81 HG LEU 81 -11.407 -4.293 3.854 564 HD11 LEU 81 1HD1 LEU 81 -10.689 -1.916 2.161 565 HD12 LEU 81 2HD1 LEU 81 -9.958 -3.506 1.944 566 HD13 LEU 81 3HD1 LEU 81 -9.760 -2.646 3.470 567 HD21 LEU 81 1HD2 LEU 81 -11.897 -1.679 4.294 568 HD22 LEU 81 2HD2 LEU 81 -12.951 -2.983 4.842 569 HD23 LEU 81 3HD2 LEU 81 -13.323 -2.113 3.352 570 H SER 82 H SER 82 -13.997 -7.044 2.350 571 HA SER 82 HA SER 82 -15.257 -7.146 -0.311 572 HB2 SER 82 1HB SER 82 -15.960 -9.515 0.367 573 HB3 SER 82 2HB SER 82 -14.263 -9.282 -0.057 574 HG SER 82 HG SER 82 -14.460 -10.478 1.861 575 H VAL 83 H VAL 83 -17.535 -8.422 0.146 576 HA VAL 83 HA VAL 83 -18.973 -6.581 1.891 577 HB VAL 83 HB VAL 83 -21.015 -7.586 0.859 578 HG11 VAL 83 1HG1 VAL 83 -18.892 -6.342 -0.865 579 HG12 VAL 83 2HG1 VAL 83 -20.521 -6.661 -1.465 580 HG13 VAL 83 3HG1 VAL 83 -20.280 -5.572 -0.098 581 HG21 VAL 83 1HG2 VAL 83 -20.801 -9.041 -1.058 582 HG22 VAL 83 2HG2 VAL 83 -19.042 -9.011 -0.926 583 HG23 VAL 83 3HG2 VAL 83 -20.009 -9.782 0.332 584 H VAL 84 H VAL 84 -17.591 -9.587 2.155 585 HA VAL 84 HA VAL 84 -19.557 -10.474 4.163 586 HB VAL 84 HB VAL 84 -18.915 -11.970 2.126 587 HG11 VAL 84 1HG1 VAL 84 -16.771 -13.045 3.856 588 HG12 VAL 84 2HG1 VAL 84 -16.916 -13.037 2.098 589 HG13 VAL 84 3HG1 VAL 84 -16.400 -11.580 2.947 590 HG21 VAL 84 1HG2 VAL 84 -20.318 -12.672 4.004 591 HG22 VAL 84 2HG2 VAL 84 -19.248 -13.974 3.481 592 HG23 VAL 84 3HG2 VAL 84 -18.873 -13.057 4.940 593 H GLY 85 H GLY 85 -16.588 -9.023 3.837 594 HA2 GLY 85 1HA GLY 85 -15.972 -8.884 6.511 595 HA3 GLY 85 2HA GLY 85 -15.149 -10.327 5.939 596 H ALA 86 H ALA 86 -13.175 -9.228 6.532 597 HA ALA 86 HA ALA 86 -12.212 -7.540 4.339 598 HB1 ALA 86 1HB ALA 86 -12.712 -5.893 5.948 599 HB2 ALA 86 2HB ALA 86 -12.045 -6.863 7.263 600 HB3 ALA 86 3HB ALA 86 -10.971 -6.151 6.058 601 H GLY 87 H GLY 87 -10.289 -8.184 3.590 602 HA2 GLY 87 1HA GLY 87 -8.995 -10.457 4.759 603 HA3 GLY 87 2HA GLY 87 -8.463 -9.571 3.338 604 HA PRO 88 HA PRO 88 -5.878 -8.643 7.246 605 HB2 PRO 88 1HB PRO 88 -3.745 -10.243 6.738 606 HB3 PRO 88 2HB PRO 88 -5.136 -10.772 7.691 607 HG2 PRO 88 1HG PRO 88 -4.503 -11.292 4.812 608 HG3 PRO 88 2HG PRO 88 -5.130 -12.409 6.038 609 HD2 PRO 88 1HD PRO 88 -6.721 -11.237 4.187 610 HD3 PRO 88 2HD PRO 88 -7.290 -11.634 5.822 611 H PHE 89 H PHE 89 -3.767 -7.580 7.234 612 HA PHE 89 HA PHE 89 -3.361 -6.126 4.769 613 HB2 PHE 89 1HB PHE 89 -2.477 -5.838 7.595 614 HB3 PHE 89 2HB PHE 89 -1.461 -5.115 6.353 615 HD1 PHE 89 2HD PHE 89 -2.908 -3.777 4.511 616 HD2 PHE 89 1HD PHE 89 -4.038 -4.474 8.555 617 HE1 PHE 89 2HE PHE 89 -4.402 -1.824 4.427 618 HE2 PHE 89 1HE PHE 89 -5.535 -2.523 8.477 619 HZ PHE 89 HZ PHE 89 -5.717 -1.194 6.412 620 H SER 90 H SER 90 -1.788 -6.441 3.324 621 HA SER 90 HA SER 90 -0.271 -8.755 3.224 622 HB2 SER 90 1HB SER 90 1.091 -7.540 1.483 623 HB3 SER 90 2HB SER 90 -0.651 -7.495 1.215 624 HG SER 90 HG SER 90 1.050 -5.452 1.530 625 H GLU 91 H GLU 91 2.228 -8.692 2.975 626 HA GLU 91 HA GLU 91 3.320 -8.202 5.526 627 HB2 GLU 91 1HB GLU 91 4.846 -8.612 2.952 628 HB3 GLU 91 2HB GLU 91 5.431 -8.901 4.584 629 HG2 GLU 91 1HG GLU 91 4.144 -10.814 4.845 630 HG3 GLU 91 2HG GLU 91 3.049 -10.373 3.536 631 H VAL 92 H VAL 92 3.794 -6.298 6.379 632 HA VAL 92 HA VAL 92 3.783 -3.840 5.226 633 HB VAL 92 HB VAL 92 5.597 -4.741 7.468 634 HG11 VAL 92 1HG1 VAL 92 4.771 -1.958 6.649 635 HG12 VAL 92 2HG1 VAL 92 5.672 -2.372 8.109 636 HG13 VAL 92 3HG1 VAL 92 6.389 -2.647 6.522 637 HG21 VAL 92 1HG2 VAL 92 3.891 -4.235 8.950 638 HG22 VAL 92 2HG2 VAL 92 3.043 -3.216 7.787 639 HG23 VAL 92 3HG2 VAL 92 3.017 -4.969 7.606 640 H VAL 93 H VAL 93 4.927 -2.855 3.704 641 HA VAL 93 HA VAL 93 7.597 -3.899 3.048 642 HB VAL 93 HB VAL 93 5.640 -2.328 1.368 643 HG11 VAL 93 1HG1 VAL 93 8.446 -2.334 1.195 644 HG12 VAL 93 2HG1 VAL 93 7.862 -3.366 -0.112 645 HG13 VAL 93 3HG1 VAL 93 7.291 -1.702 0.023 646 HG21 VAL 93 1HG2 VAL 93 5.684 -4.998 1.872 647 HG22 VAL 93 2HG2 VAL 93 5.049 -4.269 0.396 648 HG23 VAL 93 3HG2 VAL 93 6.695 -4.901 0.430 649 H ALA 94 H ALA 94 9.088 -2.759 4.132 650 HA ALA 94 HA ALA 94 8.760 0.071 4.631 651 HB1 ALA 94 1HB ALA 94 10.750 -0.084 5.941 652 HB2 ALA 94 2HB ALA 94 9.761 -1.503 6.293 653 HB3 ALA 94 3HB ALA 94 11.162 -1.645 5.231 654 H CYS 95 H CYS 95 10.093 1.718 3.849 655 HA CYS 95 HA CYS 95 12.114 1.146 1.869 656 HB2 CYS 95 1HB CYS 95 11.084 2.026 -0.018 657 HB3 CYS 95 2HB CYS 95 9.759 1.155 0.744 658 HG CYS 95 HG CYS 95 10.156 4.456 1.433 659 H VAL 96 H VAL 96 13.651 2.674 1.881 660 HA VAL 96 HA VAL 96 13.088 5.146 3.378 661 HB VAL 96 HB VAL 96 15.774 3.865 2.855 662 HG11 VAL 96 1HG1 VAL 96 16.650 5.776 3.564 663 HG12 VAL 96 2HG1 VAL 96 15.035 6.468 3.727 664 HG13 VAL 96 3HG1 VAL 96 15.772 5.616 5.084 665 HG21 VAL 96 1HG2 VAL 96 15.402 3.690 5.529 666 HG22 VAL 96 2HG2 VAL 96 13.754 3.445 4.954 667 HG23 VAL 96 3HG2 VAL 96 15.049 2.387 4.396 668 H THR 97 H THR 97 13.296 7.074 2.417 669 HA THR 97 HA THR 97 13.788 7.173 -0.419 670 HB THR 97 HB THR 97 13.475 9.702 -0.013 671 HG1 THR 97 1HG THR 97 13.314 10.262 2.012 672 HG21 THR 97 1HG2 THR 97 11.649 8.691 -0.994 673 HG22 THR 97 2HG2 THR 97 10.949 9.242 0.528 674 HG23 THR 97 3HG2 THR 97 11.427 7.557 0.337 675 HA PRO 98 HA PRO 98 18.040 8.283 -0.401 676 HB2 PRO 98 1HB PRO 98 18.154 9.840 -2.622 677 HB3 PRO 98 2HB PRO 98 17.966 8.084 -2.689 678 HG2 PRO 98 1HG PRO 98 15.887 10.223 -2.939 679 HG3 PRO 98 2HG PRO 98 16.086 8.739 -3.889 680 HD2 PRO 98 1HD PRO 98 14.278 8.953 -1.885 681 HD3 PRO 98 2HD PRO 98 15.090 7.425 -2.280 682 HA PRO 99 HA PRO 99 18.471 12.182 1.614 683 HB2 PRO 99 1HB PRO 99 21.130 12.585 1.245 684 HB3 PRO 99 2HB PRO 99 20.487 11.397 2.385 685 HG2 PRO 99 1HG PRO 99 21.537 10.986 -0.388 686 HG3 PRO 99 2HG PRO 99 21.821 10.017 1.070 687 HD2 PRO 99 1HD PRO 99 20.038 9.294 -0.836 688 HD3 PRO 99 2HD PRO 99 19.804 8.916 0.883 689 H SER 100 H SER 100 18.161 14.250 1.043 690 HA SER 100 HA SER 100 19.083 15.117 -1.618 691 HB2 SER 100 1HB SER 100 16.769 14.930 -1.933 692 HB3 SER 100 2HB SER 100 16.406 15.486 -0.298 693 HG SER 100 HG SER 100 17.723 17.226 -2.053 694 H SER 101 H SER 101 20.893 16.168 -0.828 695 HA SER 101 HA SER 101 20.326 18.611 0.708 696 HB2 SER 101 1HB SER 101 22.561 18.314 1.822 697 HB3 SER 101 2HB SER 101 21.358 17.108 2.281 698 HG SER 101 HG SER 101 23.757 16.759 1.100 699 H GLY 102 H GLY 102 22.148 20.227 0.512 700 HA2 GLY 102 1HA GLY 102 23.974 20.048 -1.660 701 HA3 GLY 102 2HA GLY 102 22.543 20.952 -2.134 702 HA PRO 103 HA PRO 103 25.564 23.941 -0.304 703 HB2 PRO 103 1HB PRO 103 25.213 25.824 -2.227 704 HB3 PRO 103 2HB PRO 103 26.367 24.494 -2.385 705 HG2 PRO 103 1HG PRO 103 23.610 24.755 -3.522 706 HG3 PRO 103 2HG PRO 103 25.086 24.148 -4.295 707 HD2 PRO 103 1HD PRO 103 23.176 22.502 -3.308 708 HD3 PRO 103 2HD PRO 103 24.898 22.073 -3.310 709 H SER 104 H SER 104 24.821 25.174 1.294 710 HA SER 104 HA SER 104 22.103 26.257 1.112 711 HB2 SER 104 1HB SER 104 23.903 26.028 3.535 712 HB3 SER 104 2HB SER 104 22.201 26.488 3.536 713 HG SER 104 HG SER 104 21.658 24.427 2.902 714 H SER 105 H SER 105 22.268 28.152 0.016 715 HA SER 105 HA SER 105 24.372 29.994 0.208 716 HB2 SER 105 1HB SER 105 22.929 31.537 -0.963 717 HB3 SER 105 2HB SER 105 22.656 29.923 -1.618 718 HG SER 105 HG SER 105 20.912 29.976 0.175 719 H GLY 106 H GLY 106 24.573 31.962 1.310 720 HA2 GLY 106 1HA GLY 106 22.627 32.823 3.230 721 HA3 GLY 106 2HA GLY 106 23.994 32.021 3.988
Contact the webmaster for help, if required. Saturday, May 18, 2024 1:27:55 PM GMT (wattos1)