NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
624599 | 5n2o | 34095 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 28.222 -2.479 -2.661 2 HA2 GLY 1 HA2 GLY 1 26.609 -3.853 -0.599 3 HA3 GLY 1 HA3 GLY 1 27.547 -2.364 -0.323 4 HA PRO 2 HA PRO 2 23.187 -1.524 -2.186 5 HB2 PRO 2 HB2 PRO 2 21.658 -1.080 0.071 6 HB3 PRO 2 HB3 PRO 2 21.787 -2.654 -0.747 7 HG2 PRO 2 HG2 PRO 2 23.294 -1.678 1.697 8 HG3 PRO 2 HG3 PRO 2 22.529 -3.272 1.436 9 HD2 PRO 2 HD2 PRO 2 25.217 -2.806 1.107 10 HD3 PRO 2 HD3 PRO 2 24.337 -4.000 0.113 11 H LEU 3 H LEU 3 22.022 0.714 -1.845 12 HA LEU 3 HA LEU 3 23.797 2.602 -0.429 13 HB2 LEU 3 HB2 LEU 3 24.529 2.429 -2.804 14 HB3 LEU 3 HB3 LEU 3 22.934 2.964 -3.318 15 HG LEU 3 HG LEU 3 23.283 5.132 -2.141 16 HD11 LEU 3 HD11 LEU 3 25.565 5.683 -1.305 17 HD12 LEU 3 HD12 LEU 3 26.041 3.981 -1.497 18 HD13 LEU 3 HD13 LEU 3 24.799 4.466 -0.321 19 HD21 LEU 3 HD21 LEU 3 25.001 6.001 -3.692 20 HD22 LEU 3 HD22 LEU 3 23.918 4.868 -4.503 21 HD23 LEU 3 HD23 LEU 3 25.544 4.342 -4.031 22 H GLY 4 H GLY 4 22.104 2.346 1.090 23 HA2 GLY 4 HA2 GLY 4 20.535 3.553 2.271 24 HA3 GLY 4 HA3 GLY 4 20.054 4.439 0.818 25 H SER 5 H SER 5 18.946 3.131 -0.899 26 HA SER 5 HA SER 5 16.787 1.553 0.229 27 HB2 SER 5 HB2 SER 5 17.492 2.169 -2.678 28 HB3 SER 5 HB3 SER 5 15.927 1.621 -2.057 29 HG SER 5 HG SER 5 15.933 3.845 -2.385 30 H THR 6 H THR 6 16.218 -0.584 -0.865 31 HA THR 6 HA THR 6 18.374 -2.138 -2.027 32 HB THR 6 HB THR 6 17.308 -3.084 0.667 33 HG1 THR 6 HG1 THR 6 19.310 -1.331 0.080 34 HG21 THR 6 HG21 THR 6 19.653 -3.986 -1.063 35 HG22 THR 6 HG22 THR 6 18.123 -4.849 -0.866 36 HG23 THR 6 HG23 THR 6 19.206 -4.671 0.523 37 H ASP 7 H ASP 7 15.061 -2.010 -0.632 38 HA ASP 7 HA ASP 7 13.973 -3.473 -2.931 39 HB2 ASP 7 HB2 ASP 7 13.861 -4.478 -0.051 40 HB3 ASP 7 HB3 ASP 7 12.610 -4.863 -1.232 41 H CYS 8 H CYS 8 12.180 -2.133 -3.433 42 HA CYS 8 HA CYS 8 10.967 -0.585 -1.171 43 HB2 CYS 8 HB2 CYS 8 11.445 0.338 -4.019 44 HB3 CYS 8 HB3 CYS 8 10.595 1.240 -2.758 45 HG CYS 8 HG CYS 8 12.925 2.295 -3.056 46 H SER 9 H SER 9 9.228 -1.973 -0.765 47 HA SER 9 HA SER 9 7.078 -1.806 -2.751 48 HB2 SER 9 HB2 SER 9 8.238 -4.386 -1.639 49 HB3 SER 9 HB3 SER 9 6.565 -4.273 -2.220 50 HG SER 9 HG SER 9 8.046 -4.952 -3.818 51 H ILE 10 H ILE 10 5.039 -2.744 -1.578 52 HA ILE 10 HA ILE 10 4.549 -1.059 0.629 53 HB ILE 10 HB ILE 10 2.869 -3.456 -0.196 54 HG12 ILE 10 HG12 ILE 10 2.544 -0.666 -1.282 55 HG13 ILE 10 HG13 ILE 10 3.333 -2.001 -2.104 56 HG21 ILE 10 HG21 ILE 10 2.279 -2.490 1.932 57 HG22 ILE 10 HG22 ILE 10 2.211 -0.849 1.240 58 HG23 ILE 10 HG23 ILE 10 1.020 -2.086 0.787 59 HD11 ILE 10 HD11 ILE 10 1.227 -3.393 -1.767 60 HD12 ILE 10 HD12 ILE 10 0.410 -1.893 -1.303 61 HD13 ILE 10 HD13 ILE 10 1.091 -2.067 -2.922 62 H VAL 11 H VAL 11 5.830 -4.262 0.447 63 HA VAL 11 HA VAL 11 5.234 -5.368 2.932 64 HB VAL 11 HB VAL 11 7.410 -6.542 2.850 65 HG11 VAL 11 HG11 VAL 11 6.011 -6.456 0.141 66 HG12 VAL 11 HG12 VAL 11 7.015 -7.770 0.782 67 HG13 VAL 11 HG13 VAL 11 5.488 -7.394 1.564 68 HG21 VAL 11 HG21 VAL 11 8.997 -5.005 1.977 69 HG22 VAL 11 HG22 VAL 11 8.832 -6.273 0.779 70 HG23 VAL 11 HG23 VAL 11 8.043 -4.710 0.505 71 H SER 12 H SER 12 7.981 -3.159 2.325 72 HA SER 12 HA SER 12 8.786 -2.912 5.050 73 HB2 SER 12 HB2 SER 12 10.105 -2.342 3.004 74 HB3 SER 12 HB3 SER 12 9.110 -0.892 2.787 75 HG SER 12 HG SER 12 11.206 -1.436 4.436 76 H PHE 13 H PHE 13 6.375 -1.167 3.155 77 HA PHE 13 HA PHE 13 5.952 0.970 5.017 78 HB2 PHE 13 HB2 PHE 13 5.494 0.914 2.526 79 HB3 PHE 13 HB3 PHE 13 4.101 -0.108 2.862 80 HD1 PHE 13 HD1 PHE 13 2.046 0.943 3.151 81 HD2 PHE 13 HD2 PHE 13 5.652 3.052 4.138 82 HE1 PHE 13 HE1 PHE 13 0.717 2.956 3.634 83 HE2 PHE 13 HE2 PHE 13 4.338 5.119 4.550 84 HZ PHE 13 HZ PHE 13 1.863 5.085 4.348 85 H PHE 14 H PHE 14 4.484 -2.213 4.476 86 HA PHE 14 HA PHE 14 2.420 -1.851 6.486 87 HB2 PHE 14 HB2 PHE 14 3.412 -4.121 4.776 88 HB3 PHE 14 HB3 PHE 14 2.420 -4.471 6.175 89 HD1 PHE 14 HD1 PHE 14 0.561 -5.306 4.832 90 HD2 PHE 14 HD2 PHE 14 1.933 -1.235 4.298 91 HE1 PHE 14 HE1 PHE 14 -1.461 -4.754 3.537 92 HE2 PHE 14 HE2 PHE 14 -0.042 -0.693 3.074 93 HZ PHE 14 HZ PHE 14 -1.801 -2.412 2.713 94 H ALA 15 H ALA 15 5.675 -3.286 6.426 95 HA ALA 15 HA ALA 15 5.708 -4.364 8.992 96 HB1 ALA 15 HB1 ALA 15 7.469 -4.654 7.265 97 HB2 ALA 15 HB2 ALA 15 8.007 -2.982 7.534 98 HB3 ALA 15 HB3 ALA 15 8.135 -4.184 8.826 99 H ARG 16 H ARG 16 6.577 -0.911 7.991 100 HA ARG 16 HA ARG 16 7.006 -0.101 10.674 101 HB2 ARG 16 HB2 ARG 16 6.739 2.172 9.797 102 HB3 ARG 16 HB3 ARG 16 7.841 1.098 8.873 103 HG2 ARG 16 HG2 ARG 16 6.111 0.854 7.204 104 HG3 ARG 16 HG3 ARG 16 5.160 2.134 7.979 105 HD2 ARG 16 HD2 ARG 16 6.315 3.243 6.287 106 HD3 ARG 16 HD3 ARG 16 7.379 3.518 7.675 107 HE ARG 16 HE ARG 16 8.145 1.072 6.457 108 HH11 ARG 16 HH11 ARG 16 7.997 4.476 5.392 109 HH12 ARG 16 HH12 ARG 16 9.440 4.405 4.480 110 HH21 ARG 16 HH21 ARG 16 9.977 0.897 5.026 111 HH22 ARG 16 HH22 ARG 16 10.523 2.308 4.200 112 H LEU 17 H LEU 17 4.230 0.283 8.697 113 HA LEU 17 HA LEU 17 2.492 1.568 10.597 114 HB2 LEU 17 HB2 LEU 17 1.687 -0.457 8.469 115 HB3 LEU 17 HB3 LEU 17 0.511 0.471 9.401 116 HG LEU 17 HG LEU 17 2.664 1.784 7.785 117 HD11 LEU 17 HD11 LEU 17 1.450 0.412 6.229 118 HD12 LEU 17 HD12 LEU 17 0.929 2.100 6.024 119 HD13 LEU 17 HD13 LEU 17 -0.103 0.948 6.927 120 HD21 LEU 17 HD21 LEU 17 1.432 3.314 9.350 121 HD22 LEU 17 HD22 LEU 17 -0.122 2.769 8.658 122 HD23 LEU 17 HD23 LEU 17 0.996 3.700 7.671 123 H GLY 18 H GLY 18 3.174 -1.942 10.289 124 HA2 GLY 18 HA2 GLY 18 3.115 -3.326 12.216 125 HA3 GLY 18 HA3 GLY 18 1.698 -2.459 12.821 126 H CYS 19 H CYS 19 1.514 -2.770 9.427 127 HA CYS 19 HA CYS 19 -0.732 -4.597 9.658 128 HB2 CYS 19 HB2 CYS 19 0.812 -3.458 7.325 129 HB3 CYS 19 HB3 CYS 19 -0.520 -4.604 7.094 130 HG CYS 19 HG CYS 19 -0.647 -1.788 8.864 131 H SER 20 H SER 20 -0.589 -6.880 9.727 132 HA SER 20 HA SER 20 2.028 -8.121 9.030 133 HB2 SER 20 HB2 SER 20 1.435 -8.179 11.391 134 HB3 SER 20 HB3 SER 20 -0.055 -9.068 11.009 135 HG SER 20 HG SER 20 1.743 -10.426 11.590 136 H SER 21 H SER 21 -1.111 -9.877 9.398 137 HA SER 21 HA SER 21 -0.775 -11.551 7.286 138 HB2 SER 21 HB2 SER 21 -3.454 -10.368 8.116 139 HB3 SER 21 HB3 SER 21 -3.163 -11.968 7.411 140 HG SER 21 HG SER 21 -2.401 -12.678 9.249 141 H CYS 22 H CYS 22 -2.019 -8.222 7.033 142 HA CYS 22 HA CYS 22 -3.093 -8.548 4.405 143 HB2 CYS 22 HB2 CYS 22 -2.014 -5.961 5.598 144 HB3 CYS 22 HB3 CYS 22 -3.296 -6.163 4.395 145 HG CYS 22 HG CYS 22 -5.093 -7.166 5.872 146 H LEU 23 H LEU 23 0.232 -7.991 5.559 147 HA LEU 23 HA LEU 23 1.208 -7.091 3.004 148 HB2 LEU 23 HB2 LEU 23 3.103 -6.601 4.090 149 HB3 LEU 23 HB3 LEU 23 2.101 -6.740 5.514 150 HG LEU 23 HG LEU 23 2.958 -9.215 5.639 151 HD11 LEU 23 HD11 LEU 23 4.162 -9.306 3.443 152 HD12 LEU 23 HD12 LEU 23 5.290 -9.454 4.764 153 HD13 LEU 23 HD13 LEU 23 5.135 -7.909 3.909 154 HD21 LEU 23 HD21 LEU 23 4.620 -6.737 6.250 155 HD22 LEU 23 HD22 LEU 23 4.977 -8.375 6.888 156 HD23 LEU 23 HD23 LEU 23 3.467 -7.572 7.293 157 H ASP 24 H ASP 24 0.903 -10.072 4.876 158 HA ASP 24 HA ASP 24 2.415 -11.823 3.254 159 HB2 ASP 24 HB2 ASP 24 1.625 -12.494 5.476 160 HB3 ASP 24 HB3 ASP 24 -0.056 -12.465 4.924 161 H TYR 25 H TYR 25 -1.079 -11.027 3.223 162 HA TYR 25 HA TYR 25 -1.742 -12.544 0.926 163 HB2 TYR 25 HB2 TYR 25 -2.982 -9.887 1.784 164 HB3 TYR 25 HB3 TYR 25 -3.699 -11.122 0.736 165 HD1 TYR 25 HD1 TYR 25 -4.797 -9.859 3.458 166 HD2 TYR 25 HD2 TYR 25 -2.809 -13.559 2.459 167 HE1 TYR 25 HE1 TYR 25 -5.766 -10.937 5.449 168 HE2 TYR 25 HE2 TYR 25 -3.797 -14.647 4.370 169 HH TYR 25 HH TYR 25 -4.990 -14.349 6.348 170 H PHE 26 H PHE 26 -0.741 -9.018 1.099 171 HA PHE 26 HA PHE 26 -0.804 -8.567 -1.636 172 HB2 PHE 26 HB2 PHE 26 0.328 -7.378 0.800 173 HB3 PHE 26 HB3 PHE 26 1.337 -7.106 -0.557 174 HD1 PHE 26 HD1 PHE 26 0.409 -6.048 -2.680 175 HD2 PHE 26 HD2 PHE 26 -1.828 -6.285 1.012 176 HE1 PHE 26 HE1 PHE 26 -1.064 -4.223 -3.448 177 HE2 PHE 26 HE2 PHE 26 -3.337 -4.552 0.210 178 HZ PHE 26 HZ PHE 26 -2.931 -3.444 -2.038 179 H THR 27 H THR 27 2.088 -9.736 0.247 180 HA THR 27 HA THR 27 3.680 -9.787 -2.151 181 HB THR 27 HB THR 27 4.610 -9.427 0.075 182 HG1 THR 27 HG1 THR 27 6.140 -9.933 -1.274 183 HG21 THR 27 HG21 THR 27 3.399 -11.057 1.444 184 HG22 THR 27 HG22 THR 27 5.135 -11.272 1.580 185 HG23 THR 27 HG23 THR 27 4.186 -12.397 0.579 186 H THR 28 H THR 28 1.607 -12.206 -0.549 187 HA THR 28 HA THR 28 2.430 -14.404 -2.165 188 HB THR 28 HB THR 28 -0.225 -13.854 -0.761 189 HG1 THR 28 HG1 THR 28 1.283 -13.866 0.740 190 HG21 THR 28 HG21 THR 28 1.002 -16.454 -1.763 191 HG22 THR 28 HG22 THR 28 -0.487 -15.695 -2.351 192 HG23 THR 28 HG23 THR 28 -0.425 -16.323 -0.701 193 H GLN 29 H GLN 29 -0.166 -11.853 -2.673 194 HA GLN 29 HA GLN 29 -1.108 -13.015 -5.100 195 HB2 GLN 29 HB2 GLN 29 -1.114 -10.175 -4.011 196 HB3 GLN 29 HB3 GLN 29 -2.018 -10.714 -5.445 197 HG2 GLN 29 HG2 GLN 29 -2.535 -12.077 -2.816 198 HG3 GLN 29 HG3 GLN 29 -3.194 -10.473 -3.113 199 HE21 GLN 29 HE21 GLN 29 -5.417 -10.858 -3.499 200 HE22 GLN 29 HE22 GLN 29 -5.977 -12.014 -4.683 201 H GLY 30 H GLY 30 1.653 -10.935 -4.257 202 HA2 GLY 30 HA2 GLY 30 3.601 -10.608 -5.488 203 HA3 GLY 30 HA3 GLY 30 2.841 -11.364 -6.900 204 H LEU 31 H LEU 31 1.050 -8.877 -5.342 205 HA LEU 31 HA LEU 31 1.720 -6.886 -7.464 206 HB2 LEU 31 HB2 LEU 31 -0.722 -6.180 -7.140 207 HB3 LEU 31 HB3 LEU 31 -0.364 -7.666 -8.000 208 HG LEU 31 HG LEU 31 -0.885 -8.982 -5.998 209 HD11 LEU 31 HD11 LEU 31 -2.209 -7.935 -4.138 210 HD12 LEU 31 HD12 LEU 31 -1.751 -6.342 -4.779 211 HD13 LEU 31 HD13 LEU 31 -0.509 -7.470 -4.174 212 HD21 LEU 31 HD21 LEU 31 -2.584 -8.669 -7.679 213 HD22 LEU 31 HD22 LEU 31 -3.172 -7.208 -6.846 214 HD23 LEU 31 HD23 LEU 31 -3.276 -8.814 -6.058 215 H THR 32 H THR 32 3.083 -7.047 -4.838 216 HA THR 32 HA THR 32 1.960 -4.699 -3.402 217 HB THR 32 HB THR 32 2.546 -6.406 -1.973 218 HG1 THR 32 HG1 THR 32 3.850 -5.481 -0.658 219 HG21 THR 32 HG21 THR 32 5.264 -6.739 -3.216 220 HG22 THR 32 HG22 THR 32 3.900 -7.886 -3.324 221 HG23 THR 32 HG23 THR 32 4.656 -7.561 -1.762 222 H THR 33 H THR 33 2.552 -2.661 -4.021 223 HA THR 33 HA THR 33 5.318 -2.148 -4.598 224 HB THR 33 HB THR 33 5.071 -2.541 -6.794 225 HG1 THR 33 HG1 THR 33 5.278 -0.506 -6.956 226 HG21 THR 33 HG21 THR 33 2.923 -2.577 -8.112 227 HG22 THR 33 HG22 THR 33 1.998 -2.365 -6.605 228 HG23 THR 33 HG23 THR 33 3.013 -3.784 -6.871 229 H ILE 34 H ILE 34 5.728 0.095 -4.379 230 HA ILE 34 HA ILE 34 3.678 1.428 -2.768 231 HB ILE 34 HB ILE 34 6.239 2.866 -3.439 232 HG12 ILE 34 HG12 ILE 34 5.919 0.459 -1.626 233 HG13 ILE 34 HG13 ILE 34 7.192 0.822 -2.809 234 HG21 ILE 34 HG21 ILE 34 5.799 3.880 -1.261 235 HG22 ILE 34 HG22 ILE 34 4.314 3.943 -2.193 236 HG23 ILE 34 HG23 ILE 34 4.499 2.712 -0.923 237 HD11 ILE 34 HD11 ILE 34 8.108 1.009 -0.580 238 HD12 ILE 34 HD12 ILE 34 8.001 2.648 -1.261 239 HD13 ILE 34 HD13 ILE 34 6.810 2.092 -0.055 240 H TYR 35 H TYR 35 5.366 2.342 -5.791 241 HA TYR 35 HA TYR 35 3.906 4.697 -6.242 242 HB2 TYR 35 HB2 TYR 35 5.165 2.918 -8.358 243 HB3 TYR 35 HB3 TYR 35 4.899 4.664 -8.429 244 HD1 TYR 35 HD1 TYR 35 6.956 1.960 -7.057 245 HD2 TYR 35 HD2 TYR 35 6.378 6.219 -7.064 246 HE1 TYR 35 HE1 TYR 35 9.134 2.213 -5.954 247 HE2 TYR 35 HE2 TYR 35 8.605 6.521 -6.056 248 HH TYR 35 HH TYR 35 10.733 3.705 -5.309 249 H GLN 36 H GLN 36 3.021 1.367 -6.775 250 HA GLN 36 HA GLN 36 0.934 2.040 -8.740 251 HB2 GLN 36 HB2 GLN 36 1.480 -0.456 -7.135 252 HB3 GLN 36 HB3 GLN 36 0.091 -0.296 -8.188 253 HG2 GLN 36 HG2 GLN 36 2.980 -0.340 -9.058 254 HG3 GLN 36 HG3 GLN 36 1.681 -1.465 -9.478 255 HE21 GLN 36 HE21 GLN 36 3.602 0.332 -11.090 256 HE22 GLN 36 HE22 GLN 36 2.507 1.124 -12.215 257 H ILE 37 H ILE 37 0.858 1.238 -5.162 258 HA ILE 37 HA ILE 37 -1.967 1.627 -5.011 259 HB ILE 37 HB ILE 37 -1.585 2.033 -2.570 260 HG12 ILE 37 HG12 ILE 37 1.311 1.414 -3.206 261 HG13 ILE 37 HG13 ILE 37 0.691 3.010 -2.751 262 HG21 ILE 37 HG21 ILE 37 -0.302 -0.470 -3.756 263 HG22 ILE 37 HG22 ILE 37 -1.079 -0.331 -2.158 264 HG23 ILE 37 HG23 ILE 37 -2.043 -0.198 -3.627 265 HD11 ILE 37 HD11 ILE 37 0.033 2.142 -0.570 266 HD12 ILE 37 HD12 ILE 37 0.648 0.535 -0.997 267 HD13 ILE 37 HD13 ILE 37 1.767 1.904 -0.884 268 H GLU 38 H GLU 38 0.623 3.950 -5.208 269 HA GLU 38 HA GLU 38 -0.785 6.224 -4.202 270 HB2 GLU 38 HB2 GLU 38 1.666 5.965 -4.401 271 HB3 GLU 38 HB3 GLU 38 1.530 5.908 -6.147 272 HG2 GLU 38 HG2 GLU 38 0.661 8.235 -6.162 273 HG3 GLU 38 HG3 GLU 38 0.819 8.302 -4.411 274 H HIS 39 H HIS 39 -1.047 4.401 -7.175 275 HA HIS 39 HA HIS 39 -2.617 6.574 -8.491 276 HB2 HIS 39 HB2 HIS 39 -0.413 5.221 -9.483 277 HB3 HIS 39 HB3 HIS 39 -1.711 4.231 -10.092 278 HD1 HIS 39 HD1 HIS 39 0.317 6.788 -11.445 279 HD2 HIS 39 HD2 HIS 39 -3.852 6.263 -11.065 280 HE1 HIS 39 HE1 HIS 39 -0.746 8.388 -13.074 281 H TYR 40 H TYR 40 -2.685 3.298 -7.201 282 HA TYR 40 HA TYR 40 -5.218 2.627 -8.487 283 HB2 TYR 40 HB2 TYR 40 -3.432 1.149 -6.526 284 HB3 TYR 40 HB3 TYR 40 -4.993 0.572 -7.060 285 HD1 TYR 40 HD1 TYR 40 -2.075 -0.851 -7.420 286 HD2 TYR 40 HD2 TYR 40 -4.671 1.497 -10.079 287 HE1 TYR 40 HE1 TYR 40 -1.424 -2.173 -9.330 288 HE2 TYR 40 HE2 TYR 40 -3.725 0.344 -11.975 289 HH TYR 40 HH TYR 40 -2.193 -1.276 -12.723 290 H SER 41 H SER 41 -6.781 3.978 -7.838 291 HA SER 41 HA SER 41 -7.101 4.959 -5.211 292 HB2 SER 41 HB2 SER 41 -9.405 4.660 -7.118 293 HB3 SER 41 HB3 SER 41 -8.969 6.045 -6.114 294 HG SER 41 HG SER 41 -8.712 6.056 -8.508 295 H MET 42 H MET 42 -9.252 4.656 -4.087 296 HA MET 42 HA MET 42 -9.544 2.289 -2.796 297 HB2 MET 42 HB2 MET 42 -11.609 3.179 -1.948 298 HB3 MET 42 HB3 MET 42 -10.512 4.532 -2.222 299 HG2 MET 42 HG2 MET 42 -11.612 4.973 -4.416 300 HG3 MET 42 HG3 MET 42 -12.735 3.647 -4.114 301 HE1 MET 42 HE1 MET 42 -14.936 6.746 -4.186 302 HE2 MET 42 HE2 MET 42 -13.463 6.418 -5.108 303 HE3 MET 42 HE3 MET 42 -14.638 5.117 -4.824 304 H ASP 43 H ASP 43 -10.941 2.950 -5.969 305 HA ASP 43 HA ASP 43 -12.907 0.842 -5.874 306 HB2 ASP 43 HB2 ASP 43 -13.134 2.858 -7.271 307 HB3 ASP 43 HB3 ASP 43 -11.750 2.336 -8.227 308 H ASP 44 H ASP 44 -9.588 1.111 -7.319 309 HA ASP 44 HA ASP 44 -9.686 -1.458 -8.624 310 HB2 ASP 44 HB2 ASP 44 -7.703 0.620 -8.205 311 HB3 ASP 44 HB3 ASP 44 -6.990 -0.915 -7.765 312 H LEU 45 H LEU 45 -8.520 -0.295 -5.524 313 HA LEU 45 HA LEU 45 -7.562 -2.716 -4.435 314 HB2 LEU 45 HB2 LEU 45 -8.848 -0.416 -2.919 315 HB3 LEU 45 HB3 LEU 45 -7.716 -1.610 -2.257 316 HG LEU 45 HG LEU 45 -6.990 0.352 -4.477 317 HD11 LEU 45 HD11 LEU 45 -5.979 1.742 -2.849 318 HD12 LEU 45 HD12 LEU 45 -6.398 0.632 -1.508 319 HD13 LEU 45 HD13 LEU 45 -7.649 1.529 -2.383 320 HD21 LEU 45 HD21 LEU 45 -5.088 -1.094 -2.619 321 HD22 LEU 45 HD22 LEU 45 -4.736 -0.195 -4.105 322 HD23 LEU 45 HD23 LEU 45 -5.561 -1.742 -4.203 323 H ALA 46 H ALA 46 -10.896 -1.272 -4.340 324 HA ALA 46 HA ALA 46 -11.991 -3.384 -2.738 325 HB1 ALA 46 HB1 ALA 46 -13.189 -1.262 -3.077 326 HB2 ALA 46 HB2 ALA 46 -13.342 -1.596 -4.807 327 HB3 ALA 46 HB3 ALA 46 -14.171 -2.629 -3.629 328 H SER 47 H SER 47 -11.670 -2.988 -6.308 329 HA SER 47 HA SER 47 -12.883 -5.514 -6.929 330 HB2 SER 47 HB2 SER 47 -11.102 -3.623 -8.497 331 HB3 SER 47 HB3 SER 47 -11.794 -5.129 -9.152 332 HG SER 47 HG SER 47 -13.423 -3.121 -7.963 333 H LEU 48 H LEU 48 -9.746 -4.807 -5.626 334 HA LEU 48 HA LEU 48 -8.480 -7.290 -6.602 335 HB2 LEU 48 HB2 LEU 48 -7.609 -5.121 -4.663 336 HB3 LEU 48 HB3 LEU 48 -6.757 -6.643 -4.775 337 HG LEU 48 HG LEU 48 -6.936 -4.492 -6.876 338 HD11 LEU 48 HD11 LEU 48 -4.457 -4.543 -6.529 339 HD12 LEU 48 HD12 LEU 48 -4.656 -5.778 -5.280 340 HD13 LEU 48 HD13 LEU 48 -5.331 -4.150 -5.045 341 HD21 LEU 48 HD21 LEU 48 -5.684 -7.268 -7.131 342 HD22 LEU 48 HD22 LEU 48 -5.397 -5.889 -8.225 343 HD23 LEU 48 HD23 LEU 48 -7.011 -6.594 -8.124 344 H LYS 49 H LYS 49 -11.017 -6.883 -4.629 345 HA LYS 49 HA LYS 49 -12.084 -8.101 -3.133 346 HB2 LYS 49 HB2 LYS 49 -9.867 -10.191 -3.340 347 HB3 LYS 49 HB3 LYS 49 -11.362 -10.356 -2.449 348 HG2 LYS 49 HG2 LYS 49 -11.788 -11.497 -4.399 349 HG3 LYS 49 HG3 LYS 49 -12.647 -9.968 -4.577 350 HD2 LYS 49 HD2 LYS 49 -10.809 -9.147 -6.059 351 HD3 LYS 49 HD3 LYS 49 -9.933 -10.650 -5.824 352 HE2 LYS 49 HE2 LYS 49 -11.107 -10.605 -7.962 353 HE3 LYS 49 HE3 LYS 49 -11.797 -11.865 -6.928 354 HZ1 LYS 49 HZ1 LYS 49 -12.983 -9.157 -7.223 355 HZ2 LYS 49 HZ2 LYS 49 -13.634 -10.438 -6.468 356 HZ3 LYS 49 HZ3 LYS 49 -13.470 -10.519 -8.069 357 H ILE 50 H ILE 50 -10.212 -6.004 -2.437 358 HA ILE 50 HA ILE 50 -9.212 -6.782 0.213 359 HB ILE 50 HB ILE 50 -9.065 -4.057 -1.102 360 HG12 ILE 50 HG12 ILE 50 -7.994 -5.793 -2.598 361 HG13 ILE 50 HG13 ILE 50 -6.896 -4.585 -1.997 362 HG21 ILE 50 HG21 ILE 50 -7.235 -3.744 0.474 363 HG22 ILE 50 HG22 ILE 50 -8.679 -4.261 1.357 364 HG23 ILE 50 HG23 ILE 50 -7.423 -5.433 1.023 365 HD11 ILE 50 HD11 ILE 50 -7.192 -7.376 -0.813 366 HD12 ILE 50 HD12 ILE 50 -5.992 -6.912 -2.038 367 HD13 ILE 50 HD13 ILE 50 -5.930 -6.179 -0.425 368 HA PRO 51 HA PRO 51 -13.260 -5.277 1.681 369 HB2 PRO 51 HB2 PRO 51 -12.972 -5.860 4.349 370 HB3 PRO 51 HB3 PRO 51 -13.292 -7.098 3.112 371 HG2 PRO 51 HG2 PRO 51 -10.635 -6.315 4.330 372 HG3 PRO 51 HG3 PRO 51 -11.281 -7.963 4.038 373 HD2 PRO 51 HD2 PRO 51 -9.514 -6.752 2.365 374 HD3 PRO 51 HD3 PRO 51 -10.774 -7.869 1.766 375 H GLU 52 H GLU 52 -14.019 -3.418 2.675 376 HA GLU 52 HA GLU 52 -12.572 -1.088 2.861 377 HB2 GLU 52 HB2 GLU 52 -14.426 -0.113 4.046 378 HB3 GLU 52 HB3 GLU 52 -14.964 -1.103 2.705 379 HG2 GLU 52 HG2 GLU 52 -15.102 -1.776 5.683 380 HG3 GLU 52 HG3 GLU 52 -16.437 -1.366 4.598 381 H GLN 53 H GLN 53 -13.149 -3.404 5.503 382 HA GLN 53 HA GLN 53 -12.308 -1.853 7.664 383 HB2 GLN 53 HB2 GLN 53 -12.325 -4.811 7.053 384 HB3 GLN 53 HB3 GLN 53 -11.399 -4.295 8.441 385 HG2 GLN 53 HG2 GLN 53 -14.358 -3.821 7.987 386 HG3 GLN 53 HG3 GLN 53 -13.622 -4.910 9.176 387 HE21 GLN 53 HE21 GLN 53 -11.559 -3.239 10.287 388 HE22 GLN 53 HE22 GLN 53 -12.253 -1.705 10.803 389 H PHE 54 H PHE 54 -10.304 -3.305 5.188 390 HA PHE 54 HA PHE 54 -7.866 -2.266 6.593 391 HB2 PHE 54 HB2 PHE 54 -7.553 -4.539 6.569 392 HB3 PHE 54 HB3 PHE 54 -8.451 -4.778 5.076 393 HD1 PHE 54 HD1 PHE 54 -7.403 -4.988 3.082 394 HD2 PHE 54 HD2 PHE 54 -5.312 -3.084 6.301 395 HE1 PHE 54 HE1 PHE 54 -5.306 -4.933 1.690 396 HE2 PHE 54 HE2 PHE 54 -3.238 -3.009 4.958 397 HZ PHE 54 HZ PHE 54 -3.279 -3.946 2.595 398 H ARG 55 H ARG 55 -9.428 -2.701 3.369 399 HA ARG 55 HA ARG 55 -7.769 -1.436 1.666 400 HB2 ARG 55 HB2 ARG 55 -9.828 -2.525 1.106 401 HB3 ARG 55 HB3 ARG 55 -10.773 -1.255 1.875 402 HG2 ARG 55 HG2 ARG 55 -9.973 0.400 0.192 403 HG3 ARG 55 HG3 ARG 55 -8.997 -0.875 -0.542 404 HD2 ARG 55 HD2 ARG 55 -10.977 -0.664 -1.842 405 HD3 ARG 55 HD3 ARG 55 -11.113 -2.171 -0.962 406 HE ARG 55 HE ARG 55 -12.501 0.413 -0.295 407 HH11 ARG 55 HH11 ARG 55 -12.712 -3.181 -0.383 408 HH12 ARG 55 HH12 ARG 55 -14.441 -3.127 -0.331 409 HH21 ARG 55 HH21 ARG 55 -14.702 0.360 0.045 410 HH22 ARG 55 HH22 ARG 55 -15.539 -1.123 0.303 411 H HIS 56 H HIS 56 -10.265 0.423 3.588 412 HA HIS 56 HA HIS 56 -9.282 2.904 2.468 413 HB2 HIS 56 HB2 HIS 56 -10.957 2.491 4.966 414 HB3 HIS 56 HB3 HIS 56 -10.707 4.008 4.089 415 HD1 HIS 56 HD1 HIS 56 -13.550 2.337 4.461 416 HD2 HIS 56 HD2 HIS 56 -11.085 2.646 1.055 417 HE1 HIS 56 HE1 HIS 56 -14.996 1.723 2.453 418 H ALA 57 H ALA 57 -8.269 0.971 5.296 419 HA ALA 57 HA ALA 57 -6.745 3.064 6.499 420 HB1 ALA 57 HB1 ALA 57 -7.457 0.950 7.673 421 HB2 ALA 57 HB2 ALA 57 -6.234 0.066 6.732 422 HB3 ALA 57 HB3 ALA 57 -5.733 1.349 7.830 423 H ILE 58 H ILE 58 -5.783 0.334 4.206 424 HA ILE 58 HA ILE 58 -3.121 1.012 4.102 425 HB ILE 58 HB ILE 58 -3.652 -1.052 3.241 426 HG12 ILE 58 HG12 ILE 58 -2.997 0.759 0.892 427 HG13 ILE 58 HG13 ILE 58 -1.919 -0.124 1.997 428 HG21 ILE 58 HG21 ILE 58 -5.511 0.026 1.115 429 HG22 ILE 58 HG22 ILE 58 -5.150 -1.675 1.493 430 HG23 ILE 58 HG23 ILE 58 -6.000 -0.726 2.664 431 HD11 ILE 58 HD11 ILE 58 -2.907 -2.269 0.941 432 HD12 ILE 58 HD12 ILE 58 -3.505 -1.180 -0.313 433 HD13 ILE 58 HD13 ILE 58 -1.766 -1.288 -0.010 434 H TRP 59 H TRP 59 -5.766 2.119 2.114 435 HA TRP 59 HA TRP 59 -4.171 3.806 0.476 436 HB2 TRP 59 HB2 TRP 59 -6.622 2.885 0.178 437 HB3 TRP 59 HB3 TRP 59 -7.074 4.398 0.954 438 HD1 TRP 59 HD1 TRP 59 -4.663 3.264 -1.838 439 HE1 TRP 59 HE1 TRP 59 -4.860 4.791 -3.858 440 HE3 TRP 59 HE3 TRP 59 -7.809 6.692 0.187 441 HZ2 TRP 59 HZ2 TRP 59 -6.341 7.271 -4.542 442 HZ3 TRP 59 HZ3 TRP 59 -8.585 8.652 -1.144 443 HH2 TRP 59 HH2 TRP 59 -7.879 8.921 -3.485 444 H LYS 60 H LYS 60 -6.116 4.505 3.437 445 HA LYS 60 HA LYS 60 -5.578 7.262 3.467 446 HB2 LYS 60 HB2 LYS 60 -7.276 6.197 4.906 447 HB3 LYS 60 HB3 LYS 60 -6.004 5.376 5.836 448 HG2 LYS 60 HG2 LYS 60 -5.135 7.530 6.605 449 HG3 LYS 60 HG3 LYS 60 -6.260 8.392 5.537 450 HD2 LYS 60 HD2 LYS 60 -8.165 7.447 6.863 451 HD3 LYS 60 HD3 LYS 60 -7.001 6.626 7.906 452 HE2 LYS 60 HE2 LYS 60 -7.750 8.694 8.960 453 HE3 LYS 60 HE3 LYS 60 -6.026 8.800 8.560 454 HZ1 LYS 60 HZ1 LYS 60 -8.179 9.967 6.902 455 HZ2 LYS 60 HZ2 LYS 60 -6.565 10.136 6.674 456 HZ3 LYS 60 HZ3 LYS 60 -7.226 10.808 7.989 457 H GLY 61 H GLY 61 -3.615 4.506 4.808 458 HA2 GLY 61 HA2 GLY 61 -1.778 6.142 6.201 459 HA3 GLY 61 HA3 GLY 61 -1.473 4.496 5.598 460 H ILE 62 H ILE 62 -1.548 4.731 2.904 461 HA ILE 62 HA ILE 62 0.936 6.092 2.436 462 HB ILE 62 HB ILE 62 0.128 4.076 1.400 463 HG12 ILE 62 HG12 ILE 62 1.173 4.563 -0.922 464 HG13 ILE 62 HG13 ILE 62 1.256 6.237 -0.392 465 HG21 ILE 62 HG21 ILE 62 -1.144 4.037 -0.697 466 HG22 ILE 62 HG22 ILE 62 -2.103 4.692 0.629 467 HG23 ILE 62 HG23 ILE 62 -1.386 5.776 -0.588 468 HD11 ILE 62 HD11 ILE 62 2.769 5.567 1.470 469 HD12 ILE 62 HD12 ILE 62 2.617 3.864 0.963 470 HD13 ILE 62 HD13 ILE 62 3.398 5.057 -0.097 471 H LEU 63 H LEU 63 -2.435 6.988 1.504 472 HA LEU 63 HA LEU 63 -1.581 9.286 0.022 473 HB2 LEU 63 HB2 LEU 63 -4.170 8.399 1.291 474 HB3 LEU 63 HB3 LEU 63 -4.003 10.088 0.919 475 HG LEU 63 HG LEU 63 -5.146 8.734 -0.832 476 HD11 LEU 63 HD11 LEU 63 -4.233 10.953 -1.282 477 HD12 LEU 63 HD12 LEU 63 -4.058 9.893 -2.689 478 HD13 LEU 63 HD13 LEU 63 -2.646 10.252 -1.671 479 HD21 LEU 63 HD21 LEU 63 -2.358 7.702 -1.514 480 HD22 LEU 63 HD22 LEU 63 -3.839 7.465 -2.451 481 HD23 LEU 63 HD23 LEU 63 -3.694 6.726 -0.853 482 H ASP 64 H ASP 64 -2.004 8.619 3.397 483 HA ASP 64 HA ASP 64 -1.934 11.472 4.239 484 HB2 ASP 64 HB2 ASP 64 -1.725 8.884 5.781 485 HB3 ASP 64 HB3 ASP 64 -0.985 10.300 6.451 486 H HIS 65 H HIS 65 0.413 8.878 3.740 487 HA HIS 65 HA HIS 65 2.664 10.250 4.870 488 HB2 HIS 65 HB2 HIS 65 2.727 7.832 4.596 489 HB3 HIS 65 HB3 HIS 65 2.438 7.967 2.874 490 HD1 HIS 65 HD1 HIS 65 5.138 10.080 4.654 491 HD2 HIS 65 HD2 HIS 65 4.538 7.189 1.695 492 HE1 HIS 65 HE1 HIS 65 7.404 9.697 3.547 493 H ARG 66 H ARG 66 1.657 9.725 1.396 494 HA ARG 66 HA ARG 66 3.676 11.486 0.529 495 HB2 ARG 66 HB2 ARG 66 2.921 11.225 -1.630 496 HB3 ARG 66 HB3 ARG 66 2.593 9.717 -0.824 497 HG2 ARG 66 HG2 ARG 66 0.753 10.072 -2.232 498 HG3 ARG 66 HG3 ARG 66 0.144 10.489 -0.617 499 HD2 ARG 66 HD2 ARG 66 0.274 12.814 -1.071 500 HD3 ARG 66 HD3 ARG 66 1.305 12.581 -2.496 501 HE ARG 66 HE ARG 66 -1.059 11.311 -3.150 502 HH11 ARG 66 HH11 ARG 66 0.056 14.586 -2.399 503 HH12 ARG 66 HH12 ARG 66 -1.349 15.396 -2.995 504 HH21 ARG 66 HH21 ARG 66 -2.892 12.386 -4.158 505 HH22 ARG 66 HH22 ARG 66 -2.934 14.103 -4.187 506 H GLN 67 H GLN 67 0.475 12.148 1.904 507 HA GLN 67 HA GLN 67 0.350 14.853 0.815 508 HB2 GLN 67 HB2 GLN 67 -1.662 13.682 1.361 509 HB3 GLN 67 HB3 GLN 67 -1.124 13.354 3.022 510 HG2 GLN 67 HG2 GLN 67 -1.433 15.587 3.690 511 HG3 GLN 67 HG3 GLN 67 -1.518 16.166 2.019 512 HE21 GLN 67 HE21 GLN 67 -3.536 16.512 1.256 513 HE22 GLN 67 HE22 GLN 67 -5.014 15.672 1.753 514 H LEU 68 H LEU 68 1.486 13.312 3.874 515 HA LEU 68 HA LEU 68 2.109 15.906 5.054 516 HB2 LEU 68 HB2 LEU 68 2.611 13.047 5.961 517 HB3 LEU 68 HB3 LEU 68 3.151 14.463 6.859 518 HG LEU 68 HG LEU 68 0.256 13.666 6.339 519 HD11 LEU 68 HD11 LEU 68 1.949 13.992 8.857 520 HD12 LEU 68 HD12 LEU 68 1.430 12.454 8.128 521 HD13 LEU 68 HD13 LEU 68 0.234 13.561 8.819 522 HD21 LEU 68 HD21 LEU 68 1.340 16.221 7.550 523 HD22 LEU 68 HD22 LEU 68 -0.329 15.648 7.763 524 HD23 LEU 68 HD23 LEU 68 0.255 16.064 6.159 525 H HIS 69 H HIS 69 3.880 13.874 2.825 526 HA HIS 69 HA HIS 69 6.299 15.419 3.525 527 HB2 HIS 69 HB2 HIS 69 5.850 12.483 3.373 528 HB3 HIS 69 HB3 HIS 69 7.181 13.050 2.417 529 HD1 HIS 69 HD1 HIS 69 6.352 14.777 5.763 530 HD2 HIS 69 HD2 HIS 69 9.112 12.127 3.963 531 HE1 HIS 69 HE1 HIS 69 8.246 14.414 7.461 532 H ASP 70 H ASP 70 7.939 14.919 1.523 533 HA ASP 70 HA ASP 70 6.621 15.292 -1.030 534 HB2 ASP 70 HB2 ASP 70 6.685 17.597 0.032 535 HB3 ASP 70 HB3 ASP 70 8.443 17.458 0.088 Start of MODEL 2 1 H1 GLY 1 H GLY 1 30.409 -11.681 -1.062 2 HA2 GLY 1 HA2 GLY 1 30.888 -10.169 -2.952 3 HA3 GLY 1 HA3 GLY 1 29.193 -10.412 -3.437 4 HA PRO 2 HA PRO 2 29.121 -6.729 -0.708 5 HB2 PRO 2 HB2 PRO 2 27.316 -5.246 -2.087 6 HB3 PRO 2 HB3 PRO 2 29.024 -5.351 -2.610 7 HG2 PRO 2 HG2 PRO 2 26.646 -6.923 -3.653 8 HG3 PRO 2 HG3 PRO 2 27.908 -6.072 -4.600 9 HD2 PRO 2 HD2 PRO 2 27.999 -8.766 -4.068 10 HD3 PRO 2 HD3 PRO 2 29.484 -7.774 -4.196 11 H LEU 3 H LEU 3 27.058 -5.774 0.427 12 HA LEU 3 HA LEU 3 24.664 -7.360 0.294 13 HB2 LEU 3 HB2 LEU 3 26.547 -8.667 1.712 14 HB3 LEU 3 HB3 LEU 3 26.134 -7.487 2.949 15 HG LEU 3 HG LEU 3 23.758 -8.268 2.804 16 HD11 LEU 3 HD11 LEU 3 24.890 -10.397 0.935 17 HD12 LEU 3 HD12 LEU 3 23.635 -9.205 0.536 18 HD13 LEU 3 HD13 LEU 3 23.291 -10.468 1.710 19 HD21 LEU 3 HD21 LEU 3 24.155 -10.395 3.973 20 HD22 LEU 3 HD22 LEU 3 25.328 -9.180 4.481 21 HD23 LEU 3 HD23 LEU 3 25.809 -10.460 3.339 22 H GLY 4 H GLY 4 23.129 -6.568 2.206 23 HA2 GLY 4 HA2 GLY 4 22.289 -4.875 3.518 24 HA3 GLY 4 HA3 GLY 4 23.805 -3.980 3.364 25 H SER 5 H SER 5 21.742 -5.164 0.645 26 HA SER 5 HA SER 5 21.775 -2.690 -0.727 27 HB2 SER 5 HB2 SER 5 20.052 -3.938 -2.142 28 HB3 SER 5 HB3 SER 5 21.689 -4.595 -2.027 29 HG SER 5 HG SER 5 19.508 -5.862 -1.599 30 H THR 6 H THR 6 20.802 -0.932 0.311 31 HA THR 6 HA THR 6 18.361 -1.102 1.825 32 HB THR 6 HB THR 6 19.531 1.365 0.464 33 HG1 THR 6 HG1 THR 6 21.154 1.318 1.695 34 HG21 THR 6 HG21 THR 6 18.078 0.994 3.129 35 HG22 THR 6 HG22 THR 6 17.385 1.703 1.655 36 HG23 THR 6 HG23 THR 6 18.712 2.527 2.487 37 H ASP 7 H ASP 7 16.248 -0.807 1.060 38 HA ASP 7 HA ASP 7 15.753 0.151 -1.658 39 HB2 ASP 7 HB2 ASP 7 14.574 -1.817 -2.352 40 HB3 ASP 7 HB3 ASP 7 16.220 -2.261 -1.941 41 H CYS 8 H CYS 8 13.277 0.076 -2.050 42 HA CYS 8 HA CYS 8 11.735 0.502 0.450 43 HB2 CYS 8 HB2 CYS 8 11.666 2.333 -1.994 44 HB3 CYS 8 HB3 CYS 8 10.723 2.501 -0.507 45 HG CYS 8 HG CYS 8 12.307 4.359 -0.228 46 H SER 9 H SER 9 9.834 -0.685 0.301 47 HA SER 9 HA SER 9 8.365 -1.002 -2.183 48 HB2 SER 9 HB2 SER 9 9.749 -3.362 -0.849 49 HB3 SER 9 HB3 SER 9 8.445 -3.526 -2.039 50 HG SER 9 HG SER 9 10.484 -1.845 -2.796 51 H ILE 10 H ILE 10 6.265 -2.362 -1.601 52 HA ILE 10 HA ILE 10 5.054 -1.176 0.609 53 HB ILE 10 HB ILE 10 4.376 -3.583 -1.078 54 HG12 ILE 10 HG12 ILE 10 4.159 -1.281 -1.859 55 HG13 ILE 10 HG13 ILE 10 2.630 -2.176 -1.898 56 HG21 ILE 10 HG21 ILE 10 3.402 -4.268 1.012 57 HG22 ILE 10 HG22 ILE 10 2.670 -2.681 1.267 58 HG23 ILE 10 HG23 ILE 10 2.111 -3.717 -0.066 59 HD11 ILE 10 HD11 ILE 10 3.346 -0.066 0.186 60 HD12 ILE 10 HD12 ILE 10 2.380 0.164 -1.264 61 HD13 ILE 10 HD13 ILE 10 1.791 -0.922 0.003 62 H VAL 11 H VAL 11 6.943 -4.065 0.581 63 HA VAL 11 HA VAL 11 6.099 -5.198 3.027 64 HB VAL 11 HB VAL 11 8.472 -5.971 3.364 65 HG11 VAL 11 HG11 VAL 11 6.813 -7.325 2.218 66 HG12 VAL 11 HG12 VAL 11 7.065 -6.462 0.688 67 HG13 VAL 11 HG13 VAL 11 8.341 -7.490 1.359 68 HG21 VAL 11 HG21 VAL 11 8.978 -4.714 0.634 69 HG22 VAL 11 HG22 VAL 11 9.717 -4.173 2.165 70 HG23 VAL 11 HG23 VAL 11 10.067 -5.776 1.534 71 H SER 12 H SER 12 8.488 -2.575 2.668 72 HA SER 12 HA SER 12 8.998 -2.097 5.375 73 HB2 SER 12 HB2 SER 12 10.025 -1.182 3.130 74 HB3 SER 12 HB3 SER 12 8.807 0.066 3.249 75 HG SER 12 HG SER 12 9.788 0.407 5.468 76 H PHE 13 H PHE 13 6.399 -0.881 3.253 77 HA PHE 13 HA PHE 13 5.338 1.020 5.134 78 HB2 PHE 13 HB2 PHE 13 5.052 1.128 2.648 79 HB3 PHE 13 HB3 PHE 13 4.005 -0.278 2.724 80 HD1 PHE 13 HD1 PHE 13 1.818 0.361 2.191 81 HD2 PHE 13 HD2 PHE 13 4.195 2.975 4.689 82 HE1 PHE 13 HE1 PHE 13 -0.115 1.966 2.417 83 HE2 PHE 13 HE2 PHE 13 2.219 4.510 4.899 84 HZ PHE 13 HZ PHE 13 0.088 3.907 3.838 85 H PHE 14 H PHE 14 4.243 -2.341 4.190 86 HA PHE 14 HA PHE 14 2.116 -2.349 6.052 87 HB2 PHE 14 HB2 PHE 14 3.543 -4.394 4.385 88 HB3 PHE 14 HB3 PHE 14 2.540 -4.972 5.701 89 HD1 PHE 14 HD1 PHE 14 0.716 -5.939 4.615 90 HD2 PHE 14 HD2 PHE 14 1.863 -1.921 3.538 91 HE1 PHE 14 HE1 PHE 14 -1.375 -5.672 3.313 92 HE2 PHE 14 HE2 PHE 14 -0.242 -1.652 2.302 93 HZ PHE 14 HZ PHE 14 -1.895 -3.528 2.225 94 H ALA 15 H ALA 15 5.527 -3.390 6.362 95 HA ALA 15 HA ALA 15 5.324 -4.443 8.966 96 HB1 ALA 15 HB1 ALA 15 7.747 -4.000 9.104 97 HB2 ALA 15 HB2 ALA 15 7.308 -4.724 7.547 98 HB3 ALA 15 HB3 ALA 15 7.658 -2.980 7.649 99 H ARG 16 H ARG 16 6.050 -1.028 7.949 100 HA ARG 16 HA ARG 16 6.228 -0.067 10.636 101 HB2 ARG 16 HB2 ARG 16 5.602 1.367 8.010 102 HB3 ARG 16 HB3 ARG 16 5.638 2.195 9.576 103 HG2 ARG 16 HG2 ARG 16 7.958 1.103 9.903 104 HG3 ARG 16 HG3 ARG 16 7.957 0.820 8.174 105 HD2 ARG 16 HD2 ARG 16 7.538 3.532 9.510 106 HD3 ARG 16 HD3 ARG 16 9.085 2.950 8.906 107 HE ARG 16 HE ARG 16 7.584 2.696 6.688 108 HH11 ARG 16 HH11 ARG 16 7.870 5.500 8.923 109 HH12 ARG 16 HH12 ARG 16 7.712 6.654 7.654 110 HH21 ARG 16 HH21 ARG 16 7.155 4.231 5.128 111 HH22 ARG 16 HH22 ARG 16 7.112 5.925 5.475 112 H LEU 17 H LEU 17 3.429 -0.147 8.422 113 HA LEU 17 HA LEU 17 1.626 1.137 10.283 114 HB2 LEU 17 HB2 LEU 17 0.999 -0.881 8.098 115 HB3 LEU 17 HB3 LEU 17 -0.201 0.063 8.981 116 HG LEU 17 HG LEU 17 1.880 1.078 7.067 117 HD11 LEU 17 HD11 LEU 17 0.027 1.681 5.608 118 HD12 LEU 17 HD12 LEU 17 -1.150 1.109 6.786 119 HD13 LEU 17 HD13 LEU 17 -0.040 -0.043 5.994 120 HD21 LEU 17 HD21 LEU 17 0.755 3.318 7.256 121 HD22 LEU 17 HD22 LEU 17 1.564 2.823 8.747 122 HD23 LEU 17 HD23 LEU 17 -0.200 2.688 8.616 123 H GLY 18 H GLY 18 2.696 -2.248 9.928 124 HA2 GLY 18 HA2 GLY 18 2.711 -3.777 11.654 125 HA3 GLY 18 HA3 GLY 18 1.373 -2.940 12.472 126 H CYS 19 H CYS 19 1.239 -3.465 8.976 127 HA CYS 19 HA CYS 19 -1.235 -4.842 9.192 128 HB2 CYS 19 HB2 CYS 19 0.681 -4.840 6.853 129 HB3 CYS 19 HB3 CYS 19 -1.055 -5.196 6.784 130 HG CYS 19 HG CYS 19 -1.441 -2.706 8.155 131 H SER 20 H SER 20 -1.752 -7.069 9.023 132 HA SER 20 HA SER 20 0.513 -8.977 9.392 133 HB2 SER 20 HB2 SER 20 -0.755 -8.718 11.369 134 HB3 SER 20 HB3 SER 20 -2.298 -8.800 10.507 135 HG SER 20 HG SER 20 -0.492 -10.992 10.588 136 H SER 21 H SER 21 -2.455 -10.548 8.855 137 HA SER 21 HA SER 21 -1.716 -11.945 6.662 138 HB2 SER 21 HB2 SER 21 -4.603 -11.191 7.150 139 HB3 SER 21 HB3 SER 21 -3.940 -12.732 6.579 140 HG SER 21 HG SER 21 -2.911 -12.910 8.698 141 H CYS 22 H CYS 22 -2.848 -8.626 6.469 142 HA CYS 22 HA CYS 22 -3.798 -8.785 3.765 143 HB2 CYS 22 HB2 CYS 22 -2.643 -6.383 5.250 144 HB3 CYS 22 HB3 CYS 22 -3.669 -6.344 3.798 145 HG CYS 22 HG CYS 22 -5.719 -7.575 4.870 146 H LEU 23 H LEU 23 -0.521 -8.608 5.183 147 HA LEU 23 HA LEU 23 0.798 -7.816 2.794 148 HB2 LEU 23 HB2 LEU 23 2.711 -7.989 4.005 149 HB3 LEU 23 HB3 LEU 23 1.571 -7.760 5.293 150 HG LEU 23 HG LEU 23 1.675 -10.399 5.506 151 HD11 LEU 23 HD11 LEU 23 3.927 -11.273 4.935 152 HD12 LEU 23 HD12 LEU 23 4.338 -9.739 4.141 153 HD13 LEU 23 HD13 LEU 23 3.100 -10.797 3.458 154 HD21 LEU 23 HD21 LEU 23 3.563 -10.110 7.064 155 HD22 LEU 23 HD22 LEU 23 2.447 -8.743 7.180 156 HD23 LEU 23 HD23 LEU 23 3.966 -8.563 6.291 157 H ASP 24 H ASP 24 -0.074 -10.845 4.347 158 HA ASP 24 HA ASP 24 1.128 -12.720 2.682 159 HB2 ASP 24 HB2 ASP 24 -0.052 -12.994 4.936 160 HB3 ASP 24 HB3 ASP 24 -1.547 -13.099 4.015 161 H TYR 25 H TYR 25 -2.093 -11.158 2.423 162 HA TYR 25 HA TYR 25 -2.926 -12.526 0.049 163 HB2 TYR 25 HB2 TYR 25 -3.678 -9.708 0.918 164 HB3 TYR 25 HB3 TYR 25 -4.569 -10.736 -0.201 165 HD1 TYR 25 HD1 TYR 25 -5.588 -9.298 2.315 166 HD2 TYR 25 HD2 TYR 25 -4.316 -13.362 1.606 167 HE1 TYR 25 HE1 TYR 25 -6.887 -10.058 4.302 168 HE2 TYR 25 HE2 TYR 25 -5.662 -14.124 3.514 169 HH TYR 25 HH TYR 25 -6.746 -13.438 5.479 170 H PHE 26 H PHE 26 -1.377 -9.249 0.475 171 HA PHE 26 HA PHE 26 -1.126 -8.626 -2.222 172 HB2 PHE 26 HB2 PHE 26 0.061 -7.839 0.356 173 HB3 PHE 26 HB3 PHE 26 1.164 -7.606 -0.942 174 HD1 PHE 26 HD1 PHE 26 0.282 -6.206 -3.130 175 HD2 PHE 26 HD2 PHE 26 -1.705 -6.370 0.741 176 HE1 PHE 26 HE1 PHE 26 -0.625 -3.953 -3.463 177 HE2 PHE 26 HE2 PHE 26 -2.674 -4.184 0.312 178 HZ PHE 26 HZ PHE 26 -2.030 -2.878 -1.729 179 H THR 27 H THR 27 1.342 -10.411 -0.202 180 HA THR 27 HA THR 27 3.162 -10.633 -2.380 181 HB THR 27 HB THR 27 3.889 -10.841 -0.107 182 HG1 THR 27 HG1 THR 27 5.395 -11.911 -1.017 183 HG21 THR 27 HG21 THR 27 3.537 -12.775 1.293 184 HG22 THR 27 HG22 THR 27 2.500 -13.543 0.066 185 HG23 THR 27 HG23 THR 27 2.007 -12.052 0.897 186 H THR 28 H THR 28 0.416 -12.733 -1.371 187 HA THR 28 HA THR 28 0.929 -14.790 -3.262 188 HB THR 28 HB THR 28 -1.799 -13.869 -2.261 189 HG1 THR 28 HG1 THR 28 -0.407 -14.236 -0.472 190 HG21 THR 28 HG21 THR 28 -2.341 -16.305 -2.446 191 HG22 THR 28 HG22 THR 28 -0.717 -16.574 -3.134 192 HG23 THR 28 HG23 THR 28 -1.915 -15.603 -4.012 193 H GLN 29 H GLN 29 -0.574 -11.540 -3.640 194 HA GLN 29 HA GLN 29 -1.572 -12.104 -6.310 195 HB2 GLN 29 HB2 GLN 29 -1.320 -9.572 -4.639 196 HB3 GLN 29 HB3 GLN 29 -2.080 -9.694 -6.215 197 HG2 GLN 29 HG2 GLN 29 -3.123 -11.400 -3.969 198 HG3 GLN 29 HG3 GLN 29 -3.622 -9.721 -4.178 199 HE21 GLN 29 HE21 GLN 29 -4.027 -12.983 -5.397 200 HE22 GLN 29 HE22 GLN 29 -5.003 -12.548 -6.810 201 H GLY 30 H GLY 30 1.464 -10.950 -4.863 202 HA2 GLY 30 HA2 GLY 30 3.491 -10.465 -5.804 203 HA3 GLY 30 HA3 GLY 30 2.897 -11.178 -7.309 204 H LEU 31 H LEU 31 1.528 -8.388 -5.588 205 HA LEU 31 HA LEU 31 2.496 -6.482 -7.655 206 HB2 LEU 31 HB2 LEU 31 0.086 -5.621 -7.718 207 HB3 LEU 31 HB3 LEU 31 0.536 -7.053 -8.642 208 HG LEU 31 HG LEU 31 -0.461 -8.371 -6.653 209 HD11 LEU 31 HD11 LEU 31 -2.278 -7.239 -5.446 210 HD12 LEU 31 HD12 LEU 31 -1.786 -5.693 -6.194 211 HD13 LEU 31 HD13 LEU 31 -0.711 -6.536 -5.068 212 HD21 LEU 31 HD21 LEU 31 -2.648 -8.331 -7.711 213 HD22 LEU 31 HD22 LEU 31 -1.346 -8.346 -8.886 214 HD23 LEU 31 HD23 LEU 31 -2.216 -6.824 -8.552 215 H THR 32 H THR 32 3.309 -6.870 -4.967 216 HA THR 32 HA THR 32 1.978 -4.684 -3.458 217 HB THR 32 HB THR 32 2.938 -5.613 -1.637 218 HG1 THR 32 HG1 THR 32 5.258 -5.861 -3.177 219 HG21 THR 32 HG21 THR 32 3.782 -7.985 -3.340 220 HG22 THR 32 HG22 THR 32 2.103 -7.635 -2.927 221 HG23 THR 32 HG23 THR 32 3.276 -7.959 -1.643 222 H THR 33 H THR 33 2.544 -2.481 -4.037 223 HA THR 33 HA THR 33 5.328 -1.919 -4.227 224 HB THR 33 HB THR 33 5.330 -2.264 -6.510 225 HG1 THR 33 HG1 THR 33 5.041 -0.446 -7.634 226 HG21 THR 33 HG21 THR 33 2.276 -1.982 -6.659 227 HG22 THR 33 HG22 THR 33 3.260 -3.451 -6.807 228 HG23 THR 33 HG23 THR 33 3.351 -2.239 -8.057 229 H ILE 34 H ILE 34 5.685 0.322 -3.989 230 HA ILE 34 HA ILE 34 3.497 1.637 -2.569 231 HB ILE 34 HB ILE 34 6.212 2.871 -2.978 232 HG12 ILE 34 HG12 ILE 34 5.417 0.623 -1.120 233 HG13 ILE 34 HG13 ILE 34 6.886 0.833 -2.091 234 HG21 ILE 34 HG21 ILE 34 4.171 3.040 -0.702 235 HG22 ILE 34 HG22 ILE 34 5.584 4.085 -1.002 236 HG23 ILE 34 HG23 ILE 34 4.212 4.187 -2.069 237 HD11 ILE 34 HD11 ILE 34 7.510 2.731 -0.482 238 HD12 ILE 34 HD12 ILE 34 6.140 2.213 0.532 239 HD13 ILE 34 HD13 ILE 34 7.492 1.122 0.229 240 H TYR 35 H TYR 35 5.519 2.425 -5.347 241 HA TYR 35 HA TYR 35 4.472 4.856 -6.141 242 HB2 TYR 35 HB2 TYR 35 5.388 2.673 -8.054 243 HB3 TYR 35 HB3 TYR 35 5.561 4.420 -8.231 244 HD1 TYR 35 HD1 TYR 35 6.886 1.357 -6.629 245 HD2 TYR 35 HD2 TYR 35 7.282 5.657 -6.915 246 HE1 TYR 35 HE1 TYR 35 9.018 1.240 -5.407 247 HE2 TYR 35 HE2 TYR 35 9.492 5.527 -5.841 248 HH TYR 35 HH TYR 35 11.069 4.166 -4.899 249 H GLN 36 H GLN 36 3.095 1.715 -6.376 250 HA GLN 36 HA GLN 36 1.221 2.516 -8.541 251 HB2 GLN 36 HB2 GLN 36 1.691 -0.060 -7.048 252 HB3 GLN 36 HB3 GLN 36 0.344 0.168 -8.140 253 HG2 GLN 36 HG2 GLN 36 3.229 0.367 -8.969 254 HG3 GLN 36 HG3 GLN 36 2.114 -0.961 -9.323 255 HE21 GLN 36 HE21 GLN 36 3.511 0.325 -11.335 256 HE22 GLN 36 HE22 GLN 36 2.341 1.003 -12.412 257 H ILE 37 H ILE 37 1.059 1.702 -4.980 258 HA ILE 37 HA ILE 37 -1.769 2.100 -4.982 259 HB ILE 37 HB ILE 37 -1.550 2.499 -2.552 260 HG12 ILE 37 HG12 ILE 37 1.329 1.685 -2.883 261 HG13 ILE 37 HG13 ILE 37 0.793 3.347 -2.583 262 HG21 ILE 37 HG21 ILE 37 -2.132 0.353 -3.555 263 HG22 ILE 37 HG22 ILE 37 -0.408 -0.080 -3.705 264 HG23 ILE 37 HG23 ILE 37 -1.172 0.103 -2.109 265 HD11 ILE 37 HD11 ILE 37 1.523 2.302 -0.530 266 HD12 ILE 37 HD12 ILE 37 -0.225 2.630 -0.442 267 HD13 ILE 37 HD13 ILE 37 0.347 0.986 -0.730 268 H GLU 38 H GLU 38 0.847 4.446 -5.130 269 HA GLU 38 HA GLU 38 -0.743 6.657 -4.157 270 HB2 GLU 38 HB2 GLU 38 1.777 6.407 -5.832 271 HB3 GLU 38 HB3 GLU 38 0.977 7.974 -5.610 272 HG2 GLU 38 HG2 GLU 38 1.142 7.791 -3.175 273 HG3 GLU 38 HG3 GLU 38 1.859 6.181 -3.316 274 H HIS 39 H HIS 39 -0.868 4.803 -7.106 275 HA HIS 39 HA HIS 39 -2.509 6.923 -8.416 276 HB2 HIS 39 HB2 HIS 39 -0.930 4.669 -9.696 277 HB3 HIS 39 HB3 HIS 39 -1.868 5.903 -10.540 278 HD1 HIS 39 HD1 HIS 39 1.421 5.440 -10.687 279 HD2 HIS 39 HD2 HIS 39 -0.764 8.345 -8.609 280 HE1 HIS 39 HE1 HIS 39 3.039 7.381 -10.269 281 H TYR 40 H TYR 40 -2.533 3.667 -7.217 282 HA TYR 40 HA TYR 40 -4.927 2.823 -8.667 283 HB2 TYR 40 HB2 TYR 40 -3.328 1.695 -6.342 284 HB3 TYR 40 HB3 TYR 40 -4.903 1.053 -6.710 285 HD1 TYR 40 HD1 TYR 40 -1.555 0.073 -7.155 286 HD2 TYR 40 HD2 TYR 40 -5.246 0.713 -9.441 287 HE1 TYR 40 HE1 TYR 40 -0.884 -1.543 -8.823 288 HE2 TYR 40 HE2 TYR 40 -4.454 -0.927 -11.094 289 HH TYR 40 HH TYR 40 -2.740 -2.500 -11.626 290 H SER 41 H SER 41 -7.074 2.603 -7.749 291 HA SER 41 HA SER 41 -7.607 4.452 -5.456 292 HB2 SER 41 HB2 SER 41 -9.264 3.735 -7.919 293 HB3 SER 41 HB3 SER 41 -9.871 4.698 -6.559 294 HG SER 41 HG SER 41 -8.928 5.803 -8.451 295 H MET 42 H MET 42 -9.802 3.959 -4.475 296 HA MET 42 HA MET 42 -9.695 1.709 -2.939 297 HB2 MET 42 HB2 MET 42 -11.780 2.344 -2.095 298 HB3 MET 42 HB3 MET 42 -11.077 3.842 -2.681 299 HG2 MET 42 HG2 MET 42 -12.470 3.585 -4.788 300 HG3 MET 42 HG3 MET 42 -13.225 2.175 -4.045 301 HE1 MET 42 HE1 MET 42 -13.354 5.922 -4.579 302 HE2 MET 42 HE2 MET 42 -14.009 6.597 -3.074 303 HE3 MET 42 HE3 MET 42 -12.346 5.967 -3.116 304 H ASP 43 H ASP 43 -11.132 1.939 -6.142 305 HA ASP 43 HA ASP 43 -12.703 -0.408 -6.175 306 HB2 ASP 43 HB2 ASP 43 -11.381 1.355 -8.274 307 HB3 ASP 43 HB3 ASP 43 -12.245 -0.110 -8.723 308 H ASP 44 H ASP 44 -9.243 0.180 -6.989 309 HA ASP 44 HA ASP 44 -8.907 -2.551 -7.985 310 HB2 ASP 44 HB2 ASP 44 -7.555 -0.697 -8.770 311 HB3 ASP 44 HB3 ASP 44 -6.780 -0.545 -7.197 312 H LEU 45 H LEU 45 -8.129 -0.671 -5.054 313 HA LEU 45 HA LEU 45 -6.817 -2.726 -3.613 314 HB2 LEU 45 HB2 LEU 45 -8.788 -0.722 -2.449 315 HB3 LEU 45 HB3 LEU 45 -7.557 -1.608 -1.567 316 HG LEU 45 HG LEU 45 -7.147 0.666 -3.529 317 HD11 LEU 45 HD11 LEU 45 -6.167 1.764 -1.543 318 HD12 LEU 45 HD12 LEU 45 -6.598 0.392 -0.546 319 HD13 LEU 45 HD13 LEU 45 -7.869 1.397 -1.311 320 HD21 LEU 45 HD21 LEU 45 -5.309 -0.867 -3.890 321 HD22 LEU 45 HD22 LEU 45 -5.019 -0.998 -2.134 322 HD23 LEU 45 HD23 LEU 45 -4.735 0.527 -2.987 323 H ALA 46 H ALA 46 -10.261 -2.032 -4.093 324 HA ALA 46 HA ALA 46 -11.264 -4.102 -2.331 325 HB1 ALA 46 HB1 ALA 46 -12.739 -2.303 -3.083 326 HB2 ALA 46 HB2 ALA 46 -12.619 -2.857 -4.771 327 HB3 ALA 46 HB3 ALA 46 -13.401 -3.874 -3.535 328 H SER 47 H SER 47 -10.608 -4.029 -5.834 329 HA SER 47 HA SER 47 -11.441 -6.643 -6.446 330 HB2 SER 47 HB2 SER 47 -11.040 -4.873 -8.087 331 HB3 SER 47 HB3 SER 47 -9.321 -4.830 -7.686 332 HG SER 47 HG SER 47 -8.948 -6.446 -8.880 333 H LEU 48 H LEU 48 -8.282 -5.435 -5.361 334 HA LEU 48 HA LEU 48 -6.968 -7.995 -5.367 335 HB2 LEU 48 HB2 LEU 48 -6.250 -5.337 -4.092 336 HB3 LEU 48 HB3 LEU 48 -5.157 -6.712 -4.263 337 HG LEU 48 HG LEU 48 -6.392 -5.233 -6.635 338 HD11 LEU 48 HD11 LEU 48 -4.032 -4.375 -6.821 339 HD12 LEU 48 HD12 LEU 48 -3.735 -5.010 -5.192 340 HD13 LEU 48 HD13 LEU 48 -5.002 -3.761 -5.484 341 HD21 LEU 48 HD21 LEU 48 -5.779 -7.464 -7.309 342 HD22 LEU 48 HD22 LEU 48 -4.209 -7.312 -6.519 343 HD23 LEU 48 HD23 LEU 48 -4.594 -6.289 -7.932 344 H LYS 49 H LYS 49 -9.437 -7.892 -3.816 345 HA LYS 49 HA LYS 49 -10.371 -8.734 -2.002 346 HB2 LYS 49 HB2 LYS 49 -7.596 -9.952 -1.883 347 HB3 LYS 49 HB3 LYS 49 -8.616 -10.198 -0.498 348 HG2 LYS 49 HG2 LYS 49 -9.675 -10.686 -3.278 349 HG3 LYS 49 HG3 LYS 49 -8.682 -11.913 -2.475 350 HD2 LYS 49 HD2 LYS 49 -11.089 -10.709 -1.095 351 HD3 LYS 49 HD3 LYS 49 -11.245 -12.108 -2.182 352 HE2 LYS 49 HE2 LYS 49 -9.739 -13.442 -0.867 353 HE3 LYS 49 HE3 LYS 49 -9.239 -12.066 0.112 354 HZ1 LYS 49 HZ1 LYS 49 -11.350 -12.011 1.160 355 HZ2 LYS 49 HZ2 LYS 49 -10.847 -13.570 1.186 356 HZ3 LYS 49 HZ3 LYS 49 -11.992 -13.113 0.113 357 H ILE 50 H ILE 50 -8.731 -6.038 -1.628 358 HA ILE 50 HA ILE 50 -8.395 -6.051 1.290 359 HB ILE 50 HB ILE 50 -8.203 -3.630 -0.484 360 HG12 ILE 50 HG12 ILE 50 -6.069 -5.753 0.100 361 HG13 ILE 50 HG13 ILE 50 -6.719 -5.377 -1.492 362 HG21 ILE 50 HG21 ILE 50 -6.872 -2.776 1.259 363 HG22 ILE 50 HG22 ILE 50 -8.212 -3.573 2.098 364 HG23 ILE 50 HG23 ILE 50 -6.642 -4.401 1.958 365 HD11 ILE 50 HD11 ILE 50 -5.791 -3.071 -1.320 366 HD12 ILE 50 HD12 ILE 50 -4.973 -3.559 0.187 367 HD13 ILE 50 HD13 ILE 50 -4.588 -4.370 -1.343 368 HA PRO 51 HA PRO 51 -12.798 -4.755 1.566 369 HB2 PRO 51 HB2 PRO 51 -13.337 -5.495 4.113 370 HB3 PRO 51 HB3 PRO 51 -13.110 -6.729 2.833 371 HG2 PRO 51 HG2 PRO 51 -11.019 -5.746 4.794 372 HG3 PRO 51 HG3 PRO 51 -11.492 -7.441 4.441 373 HD2 PRO 51 HD2 PRO 51 -9.362 -6.228 3.253 374 HD3 PRO 51 HD3 PRO 51 -10.420 -7.392 2.404 375 H GLU 52 H GLU 52 -13.893 -3.001 2.784 376 HA GLU 52 HA GLU 52 -12.303 -0.807 3.322 377 HB2 GLU 52 HB2 GLU 52 -14.159 0.391 3.836 378 HB3 GLU 52 HB3 GLU 52 -14.670 -0.808 2.661 379 HG2 GLU 52 HG2 GLU 52 -15.170 -0.780 5.657 380 HG3 GLU 52 HG3 GLU 52 -16.359 -0.530 4.386 381 H GLN 53 H GLN 53 -13.158 -3.309 5.646 382 HA GLN 53 HA GLN 53 -12.741 -1.890 8.023 383 HB2 GLN 53 HB2 GLN 53 -12.597 -3.945 9.089 384 HB3 GLN 53 HB3 GLN 53 -13.621 -4.251 7.706 385 HG2 GLN 53 HG2 GLN 53 -11.106 -4.938 6.749 386 HG3 GLN 53 HG3 GLN 53 -10.942 -5.333 8.447 387 HE21 GLN 53 HE21 GLN 53 -11.335 -7.594 8.743 388 HE22 GLN 53 HE22 GLN 53 -12.570 -8.438 7.808 389 H PHE 54 H PHE 54 -10.425 -2.898 5.651 390 HA PHE 54 HA PHE 54 -8.156 -1.927 7.340 391 HB2 PHE 54 HB2 PHE 54 -8.015 -4.288 7.275 392 HB3 PHE 54 HB3 PHE 54 -8.398 -4.355 5.555 393 HD1 PHE 54 HD1 PHE 54 -6.831 -3.669 3.886 394 HD2 PHE 54 HD2 PHE 54 -5.726 -3.756 8.023 395 HE1 PHE 54 HE1 PHE 54 -4.408 -3.439 3.232 396 HE2 PHE 54 HE2 PHE 54 -3.350 -3.510 7.414 397 HZ PHE 54 HZ PHE 54 -2.669 -3.335 5.014 398 H ARG 55 H ARG 55 -9.596 -2.115 4.071 399 HA ARG 55 HA ARG 55 -7.625 -0.986 2.504 400 HB2 ARG 55 HB2 ARG 55 -9.692 -1.980 1.714 401 HB3 ARG 55 HB3 ARG 55 -10.608 -0.616 2.366 402 HG2 ARG 55 HG2 ARG 55 -9.445 0.911 0.768 403 HG3 ARG 55 HG3 ARG 55 -8.609 -0.506 0.127 404 HD2 ARG 55 HD2 ARG 55 -10.462 0.061 -1.322 405 HD3 ARG 55 HD3 ARG 55 -10.805 -1.488 -0.540 406 HE ARG 55 HE ARG 55 -11.951 0.504 1.068 407 HH11 ARG 55 HH11 ARG 55 -12.345 -0.391 -2.383 408 HH12 ARG 55 HH12 ARG 55 -14.034 -0.022 -2.402 409 HH21 ARG 55 HH21 ARG 55 -14.206 0.970 1.003 410 HH22 ARG 55 HH22 ARG 55 -15.072 0.825 -0.481 411 H HIS 56 H HIS 56 -9.899 0.739 4.709 412 HA HIS 56 HA HIS 56 -9.149 3.335 3.764 413 HB2 HIS 56 HB2 HIS 56 -11.177 2.882 5.141 414 HB3 HIS 56 HB3 HIS 56 -10.157 2.456 6.511 415 HD1 HIS 56 HD1 HIS 56 -10.595 4.484 8.203 416 HD2 HIS 56 HD2 HIS 56 -9.806 5.598 4.205 417 HE1 HIS 56 HE1 HIS 56 -10.587 7.001 8.142 418 H ALA 57 H ALA 57 -7.610 1.115 6.144 419 HA ALA 57 HA ALA 57 -5.910 3.037 7.323 420 HB1 ALA 57 HB1 ALA 57 -4.896 1.175 8.334 421 HB2 ALA 57 HB2 ALA 57 -6.574 0.693 8.149 422 HB3 ALA 57 HB3 ALA 57 -5.341 0.059 7.031 423 H ILE 58 H ILE 58 -5.342 0.656 4.694 424 HA ILE 58 HA ILE 58 -2.625 1.372 4.204 425 HB ILE 58 HB ILE 58 -3.237 -0.691 3.384 426 HG12 ILE 58 HG12 ILE 58 -3.478 1.075 0.872 427 HG13 ILE 58 HG13 ILE 58 -1.944 0.720 1.693 428 HG21 ILE 58 HG21 ILE 58 -5.058 -1.339 1.970 429 HG22 ILE 58 HG22 ILE 58 -5.692 -0.502 3.361 430 HG23 ILE 58 HG23 ILE 58 -5.585 0.334 1.778 431 HD11 ILE 58 HD11 ILE 58 -2.416 -1.738 1.200 432 HD12 ILE 58 HD12 ILE 58 -3.721 -1.181 0.137 433 HD13 ILE 58 HD13 ILE 58 -2.049 -0.709 -0.188 434 H TRP 59 H TRP 59 -5.655 2.285 2.528 435 HA TRP 59 HA TRP 59 -4.430 4.028 0.717 436 HB2 TRP 59 HB2 TRP 59 -6.773 2.981 0.692 437 HB3 TRP 59 HB3 TRP 59 -7.280 4.336 1.706 438 HD1 TRP 59 HD1 TRP 59 -5.447 3.676 -1.589 439 HE1 TRP 59 HE1 TRP 59 -5.803 5.671 -3.229 440 HE3 TRP 59 HE3 TRP 59 -8.073 6.702 1.445 441 HZ2 TRP 59 HZ2 TRP 59 -7.192 8.186 -3.218 442 HZ3 TRP 59 HZ3 TRP 59 -8.871 8.957 0.678 443 HH2 TRP 59 HH2 TRP 59 -8.414 9.696 -1.646 444 H LYS 60 H LYS 60 -6.161 4.922 3.788 445 HA LYS 60 HA LYS 60 -5.521 7.639 3.626 446 HB2 LYS 60 HB2 LYS 60 -7.163 6.513 5.186 447 HB3 LYS 60 HB3 LYS 60 -5.770 5.981 6.174 448 HG2 LYS 60 HG2 LYS 60 -5.162 8.420 6.393 449 HG3 LYS 60 HG3 LYS 60 -6.660 8.811 5.529 450 HD2 LYS 60 HD2 LYS 60 -7.941 7.624 7.322 451 HD3 LYS 60 HD3 LYS 60 -6.442 7.367 8.214 452 HE2 LYS 60 HE2 LYS 60 -7.573 10.076 7.359 453 HE3 LYS 60 HE3 LYS 60 -7.749 9.375 8.974 454 HZ1 LYS 60 HZ1 LYS 60 -5.155 10.060 7.708 455 HZ2 LYS 60 HZ2 LYS 60 -5.363 9.461 9.215 456 HZ3 LYS 60 HZ3 LYS 60 -5.971 10.962 8.815 457 H GLY 61 H GLY 61 -3.536 4.925 4.964 458 HA2 GLY 61 HA2 GLY 61 -1.580 6.535 6.203 459 HA3 GLY 61 HA3 GLY 61 -1.294 4.906 5.551 460 H ILE 62 H ILE 62 -1.599 5.217 2.841 461 HA ILE 62 HA ILE 62 0.859 6.613 2.278 462 HB ILE 62 HB ILE 62 -0.052 4.495 1.290 463 HG12 ILE 62 HG12 ILE 62 1.221 4.940 -0.924 464 HG13 ILE 62 HG13 ILE 62 1.367 6.602 -0.391 465 HG21 ILE 62 HG21 ILE 62 -1.120 4.592 -0.940 466 HG22 ILE 62 HG22 ILE 62 -2.171 5.231 0.334 467 HG23 ILE 62 HG23 ILE 62 -1.304 6.329 -0.771 468 HD11 ILE 62 HD11 ILE 62 3.389 5.301 0.094 469 HD12 ILE 62 HD12 ILE 62 2.668 5.823 1.611 470 HD13 ILE 62 HD13 ILE 62 2.452 4.142 1.062 471 H LEU 63 H LEU 63 -2.556 7.286 1.633 472 HA LEU 63 HA LEU 63 -2.057 9.571 -0.038 473 HB2 LEU 63 HB2 LEU 63 -4.388 8.594 1.590 474 HB3 LEU 63 HB3 LEU 63 -4.372 10.270 1.131 475 HG LEU 63 HG LEU 63 -5.609 8.759 -0.395 476 HD11 LEU 63 HD11 LEU 63 -3.390 10.400 -1.664 477 HD12 LEU 63 HD12 LEU 63 -4.898 11.047 -0.985 478 HD13 LEU 63 HD13 LEU 63 -4.946 9.981 -2.398 479 HD21 LEU 63 HD21 LEU 63 -4.416 7.562 -2.153 480 HD22 LEU 63 HD22 LEU 63 -4.014 6.874 -0.575 481 HD23 LEU 63 HD23 LEU 63 -2.858 7.940 -1.422 482 H ASP 64 H ASP 64 -2.050 9.039 3.413 483 HA ASP 64 HA ASP 64 -1.955 11.901 4.133 484 HB2 ASP 64 HB2 ASP 64 -1.284 9.384 5.707 485 HB3 ASP 64 HB3 ASP 64 -0.984 10.988 6.328 486 H HIS 65 H HIS 65 0.369 9.354 3.578 487 HA HIS 65 HA HIS 65 2.739 10.772 4.340 488 HB2 HIS 65 HB2 HIS 65 2.689 8.347 4.227 489 HB3 HIS 65 HB3 HIS 65 2.283 8.379 2.517 490 HD1 HIS 65 HD1 HIS 65 5.311 9.597 4.686 491 HD2 HIS 65 HD2 HIS 65 4.235 7.979 0.923 492 HE1 HIS 65 HE1 HIS 65 7.493 9.047 3.473 493 H ARG 66 H ARG 66 1.386 10.062 1.048 494 HA ARG 66 HA ARG 66 3.219 11.862 -0.213 495 HB2 ARG 66 HB2 ARG 66 1.941 11.616 -2.227 496 HB3 ARG 66 HB3 ARG 66 2.103 10.057 -1.434 497 HG2 ARG 66 HG2 ARG 66 -0.113 9.934 -2.016 498 HG3 ARG 66 HG3 ARG 66 -0.263 10.662 -0.424 499 HD2 ARG 66 HD2 ARG 66 -1.733 11.876 -1.764 500 HD3 ARG 66 HD3 ARG 66 -0.349 12.943 -1.598 501 HE ARG 66 HE ARG 66 0.182 11.521 -3.928 502 HH11 ARG 66 HH11 ARG 66 -2.507 13.624 -2.805 503 HH12 ARG 66 HH12 ARG 66 -2.868 14.156 -4.411 504 HH21 ARG 66 HH21 ARG 66 -0.703 11.926 -6.019 505 HH22 ARG 66 HH22 ARG 66 -1.887 13.147 -6.252 506 H GLN 67 H GLN 67 0.164 12.502 1.526 507 HA GLN 67 HA GLN 67 -0.087 15.143 0.308 508 HB2 GLN 67 HB2 GLN 67 -2.013 13.906 1.035 509 HB3 GLN 67 HB3 GLN 67 -1.377 13.774 2.696 510 HG2 GLN 67 HG2 GLN 67 -1.701 16.118 3.055 511 HG3 GLN 67 HG3 GLN 67 -2.111 16.373 1.343 512 HE21 GLN 67 HE21 GLN 67 -3.268 14.700 4.386 513 HE22 GLN 67 HE22 GLN 67 -4.903 14.531 3.804 514 H LEU 68 H LEU 68 1.738 13.745 3.005 515 HA LEU 68 HA LEU 68 2.406 16.471 3.952 516 HB2 LEU 68 HB2 LEU 68 2.323 13.780 5.322 517 HB3 LEU 68 HB3 LEU 68 3.112 15.179 6.061 518 HG LEU 68 HG LEU 68 0.200 15.301 5.143 519 HD11 LEU 68 HD11 LEU 68 -0.465 14.904 7.445 520 HD12 LEU 68 HD12 LEU 68 1.219 14.644 7.930 521 HD13 LEU 68 HD13 LEU 68 0.406 13.505 6.812 522 HD21 LEU 68 HD21 LEU 68 1.284 17.479 5.512 523 HD22 LEU 68 HD22 LEU 68 1.849 16.967 7.114 524 HD23 LEU 68 HD23 LEU 68 0.114 17.168 6.785 525 H HIS 69 H HIS 69 3.997 14.169 1.921 526 HA HIS 69 HA HIS 69 6.582 15.276 2.761 527 HB2 HIS 69 HB2 HIS 69 5.657 12.428 2.297 528 HB3 HIS 69 HB3 HIS 69 7.189 12.921 1.699 529 HD1 HIS 69 HD1 HIS 69 6.422 14.636 4.954 530 HD2 HIS 69 HD2 HIS 69 8.235 11.113 3.526 531 HE1 HIS 69 HE1 HIS 69 7.822 13.729 6.871 532 H ASP 70 H ASP 70 7.759 16.048 1.056 533 HA ASP 70 HA ASP 70 7.117 15.327 -1.690 534 HB2 ASP 70 HB2 ASP 70 5.644 17.395 -0.954 535 HB3 ASP 70 HB3 ASP 70 7.143 18.292 -1.104 Start of MODEL 3 1 H1 GLY 1 H GLY 1 18.643 -12.852 -0.662 2 HA2 GLY 1 HA2 GLY 1 20.472 -12.237 -2.232 3 HA3 GLY 1 HA3 GLY 1 19.194 -11.578 -3.274 4 HA PRO 2 HA PRO 2 20.430 -8.007 -0.757 5 HB2 PRO 2 HB2 PRO 2 19.402 -6.011 -2.318 6 HB3 PRO 2 HB3 PRO 2 20.875 -6.921 -2.769 7 HG2 PRO 2 HG2 PRO 2 18.023 -7.449 -3.669 8 HG3 PRO 2 HG3 PRO 2 19.478 -7.262 -4.699 9 HD2 PRO 2 HD2 PRO 2 18.557 -9.700 -3.936 10 HD3 PRO 2 HD3 PRO 2 20.319 -9.388 -4.047 11 H LEU 3 H LEU 3 19.132 -6.066 0.107 12 HA LEU 3 HA LEU 3 16.476 -7.046 1.056 13 HB2 LEU 3 HB2 LEU 3 18.272 -4.829 2.165 14 HB3 LEU 3 HB3 LEU 3 16.638 -5.212 2.697 15 HG LEU 3 HG LEU 3 17.583 -7.635 3.102 16 HD11 LEU 3 HD11 LEU 3 19.974 -7.535 3.894 17 HD12 LEU 3 HD12 LEU 3 20.116 -5.926 3.168 18 HD13 LEU 3 HD13 LEU 3 19.815 -7.353 2.150 19 HD21 LEU 3 HD21 LEU 3 16.723 -6.169 4.862 20 HD22 LEU 3 HD22 LEU 3 18.258 -5.275 4.907 21 HD23 LEU 3 HD23 LEU 3 18.197 -6.977 5.406 22 H GLY 4 H GLY 4 17.414 -3.663 0.891 23 HA2 GLY 4 HA2 GLY 4 16.779 -2.592 -1.465 24 HA3 GLY 4 HA3 GLY 4 15.175 -2.909 -0.758 25 H SER 5 H SER 5 16.123 -0.273 -1.184 26 HA SER 5 HA SER 5 17.038 0.795 1.421 27 HB2 SER 5 HB2 SER 5 16.516 2.075 -1.291 28 HB3 SER 5 HB3 SER 5 17.129 2.938 0.136 29 HG SER 5 HG SER 5 18.923 1.554 0.158 30 H THR 6 H THR 6 15.641 3.208 1.596 31 HA THR 6 HA THR 6 13.212 2.351 2.755 32 HB THR 6 HB THR 6 13.917 5.177 1.901 33 HG1 THR 6 HG1 THR 6 14.977 3.876 4.183 34 HG21 THR 6 HG21 THR 6 11.812 4.952 3.139 35 HG22 THR 6 HG22 THR 6 12.995 5.791 4.123 36 HG23 THR 6 HG23 THR 6 12.639 4.078 4.442 37 H ASP 7 H ASP 7 11.078 2.987 2.087 38 HA ASP 7 HA ASP 7 9.327 2.962 0.702 39 HB2 ASP 7 HB2 ASP 7 10.764 5.032 -0.957 40 HB3 ASP 7 HB3 ASP 7 9.034 4.865 -0.635 41 H CYS 8 H CYS 8 11.288 0.940 0.046 42 HA CYS 8 HA CYS 8 11.467 0.765 -2.844 43 HB2 CYS 8 HB2 CYS 8 13.191 -0.140 -1.317 44 HB3 CYS 8 HB3 CYS 8 12.034 -1.338 -0.724 45 HG CYS 8 HG CYS 8 13.751 -2.468 -2.363 46 H SER 9 H SER 9 9.796 -1.571 -0.573 47 HA SER 9 HA SER 9 7.674 -1.861 -2.626 48 HB2 SER 9 HB2 SER 9 9.043 -4.159 -1.198 49 HB3 SER 9 HB3 SER 9 7.808 -4.274 -2.468 50 HG SER 9 HG SER 9 9.369 -3.394 -3.929 51 H ILE 10 H ILE 10 5.690 -2.731 -1.749 52 HA ILE 10 HA ILE 10 4.891 -1.530 0.606 53 HB ILE 10 HB ILE 10 3.736 -3.547 -1.232 54 HG12 ILE 10 HG12 ILE 10 3.760 -1.210 -1.680 55 HG13 ILE 10 HG13 ILE 10 2.129 -1.883 -1.694 56 HG21 ILE 10 HG21 ILE 10 2.887 -4.529 0.829 57 HG22 ILE 10 HG22 ILE 10 2.262 -2.945 1.324 58 HG23 ILE 10 HG23 ILE 10 1.607 -3.777 -0.112 59 HD11 ILE 10 HD11 ILE 10 3.261 -0.347 0.678 60 HD12 ILE 10 HD12 ILE 10 2.496 0.413 -0.688 61 HD13 ILE 10 HD13 ILE 10 1.574 -0.725 0.332 62 H VAL 11 H VAL 11 6.405 -4.608 0.360 63 HA VAL 11 HA VAL 11 5.541 -5.730 2.813 64 HB VAL 11 HB VAL 11 7.967 -6.633 2.902 65 HG11 VAL 11 HG11 VAL 11 7.385 -8.303 1.166 66 HG12 VAL 11 HG12 VAL 11 5.991 -7.881 2.174 67 HG13 VAL 11 HG13 VAL 11 6.139 -7.203 0.534 68 HG21 VAL 11 HG21 VAL 11 9.015 -4.965 1.299 69 HG22 VAL 11 HG22 VAL 11 9.265 -6.656 0.874 70 HG23 VAL 11 HG23 VAL 11 8.054 -5.721 -0.002 71 H SER 12 H SER 12 8.150 -3.353 2.241 72 HA SER 12 HA SER 12 8.824 -3.111 5.027 73 HB2 SER 12 HB2 SER 12 9.499 -1.503 2.541 74 HB3 SER 12 HB3 SER 12 10.247 -1.284 4.151 75 HG SER 12 HG SER 12 11.103 -2.914 2.378 76 H PHE 13 H PHE 13 6.616 -1.298 2.783 77 HA PHE 13 HA PHE 13 6.238 0.869 4.614 78 HB2 PHE 13 HB2 PHE 13 5.420 0.914 2.254 79 HB3 PHE 13 HB3 PHE 13 4.241 -0.308 2.645 80 HD1 PHE 13 HD1 PHE 13 2.143 0.884 2.230 81 HD2 PHE 13 HD2 PHE 13 5.150 2.690 4.772 82 HE1 PHE 13 HE1 PHE 13 0.551 2.712 2.878 83 HE2 PHE 13 HE2 PHE 13 3.550 4.419 5.417 84 HZ PHE 13 HZ PHE 13 1.280 4.459 4.457 85 H PHE 14 H PHE 14 4.456 -2.199 4.102 86 HA PHE 14 HA PHE 14 2.609 -1.848 6.231 87 HB2 PHE 14 HB2 PHE 14 3.606 -4.233 4.656 88 HB3 PHE 14 HB3 PHE 14 2.557 -4.448 6.036 89 HD1 PHE 14 HD1 PHE 14 0.772 -5.423 4.664 90 HD2 PHE 14 HD2 PHE 14 2.110 -1.378 3.896 91 HE1 PHE 14 HE1 PHE 14 -1.167 -5.043 3.190 92 HE2 PHE 14 HE2 PHE 14 0.202 -1.006 2.512 93 HZ PHE 14 HZ PHE 14 -1.491 -2.792 2.124 94 H ALA 15 H ALA 15 5.935 -3.159 6.213 95 HA ALA 15 HA ALA 15 5.875 -4.213 8.857 96 HB1 ALA 15 HB1 ALA 15 8.284 -4.114 8.790 97 HB2 ALA 15 HB2 ALA 15 7.762 -4.537 7.156 98 HB3 ALA 15 HB3 ALA 15 8.283 -2.887 7.518 99 H ARG 16 H ARG 16 6.514 -0.898 7.596 100 HA ARG 16 HA ARG 16 7.156 0.210 10.192 101 HB2 ARG 16 HB2 ARG 16 6.329 1.469 7.543 102 HB3 ARG 16 HB3 ARG 16 6.709 2.404 8.971 103 HG2 ARG 16 HG2 ARG 16 8.717 0.428 7.814 104 HG3 ARG 16 HG3 ARG 16 8.521 2.074 7.220 105 HD2 ARG 16 HD2 ARG 16 10.309 2.198 8.752 106 HD3 ARG 16 HD3 ARG 16 8.921 2.906 9.581 107 HE ARG 16 HE ARG 16 9.334 0.051 10.107 108 HH11 ARG 16 HH11 ARG 16 9.935 3.324 11.343 109 HH12 ARG 16 HH12 ARG 16 10.534 2.786 12.855 110 HH21 ARG 16 HH21 ARG 16 9.958 -0.639 12.074 111 HH22 ARG 16 HH22 ARG 16 10.732 0.378 13.247 112 H LEU 17 H LEU 17 4.150 0.117 8.245 113 HA LEU 17 HA LEU 17 2.605 1.649 10.111 114 HB2 LEU 17 HB2 LEU 17 1.652 -0.612 8.294 115 HB3 LEU 17 HB3 LEU 17 0.614 0.522 9.154 116 HG LEU 17 HG LEU 17 2.503 1.186 6.887 117 HD11 LEU 17 HD11 LEU 17 -0.534 1.195 7.036 118 HD12 LEU 17 HD12 LEU 17 0.469 -0.013 6.198 119 HD13 LEU 17 HD13 LEU 17 0.436 1.661 5.634 120 HD21 LEU 17 HD21 LEU 17 2.443 3.165 8.271 121 HD22 LEU 17 HD22 LEU 17 0.704 2.984 8.562 122 HD23 LEU 17 HD23 LEU 17 1.283 3.455 6.962 123 H GLY 18 H GLY 18 3.337 -1.844 9.908 124 HA2 GLY 18 HA2 GLY 18 3.669 -3.102 11.950 125 HA3 GLY 18 HA3 GLY 18 2.308 -2.245 12.681 126 H CYS 19 H CYS 19 1.782 -3.053 9.362 127 HA CYS 19 HA CYS 19 -0.452 -4.673 9.901 128 HB2 CYS 19 HB2 CYS 19 0.464 -3.498 7.673 129 HB3 CYS 19 HB3 CYS 19 1.081 -5.143 7.372 130 HG CYS 19 HG CYS 19 -2.021 -4.335 8.214 131 H SER 20 H SER 20 -0.820 -6.913 9.461 132 HA SER 20 HA SER 20 1.546 -8.727 9.718 133 HB2 SER 20 HB2 SER 20 0.397 -8.474 11.857 134 HB3 SER 20 HB3 SER 20 -1.144 -8.970 11.118 135 HG SER 20 HG SER 20 -0.015 -10.673 12.185 136 H SER 21 H SER 21 -1.572 -10.258 9.490 137 HA SER 21 HA SER 21 -0.997 -11.717 7.278 138 HB2 SER 21 HB2 SER 21 -3.750 -10.763 8.206 139 HB3 SER 21 HB3 SER 21 -3.480 -12.094 7.084 140 HG SER 21 HG SER 21 -3.623 -13.068 8.984 141 H CYS 22 H CYS 22 -2.235 -8.340 7.003 142 HA CYS 22 HA CYS 22 -3.099 -8.869 4.295 143 HB2 CYS 22 HB2 CYS 22 -2.519 -6.104 5.277 144 HB3 CYS 22 HB3 CYS 22 -3.700 -6.669 4.104 145 HG CYS 22 HG CYS 22 -4.955 -8.251 6.049 146 H LEU 23 H LEU 23 0.106 -8.226 5.702 147 HA LEU 23 HA LEU 23 1.189 -7.251 3.227 148 HB2 LEU 23 HB2 LEU 23 3.155 -7.007 4.347 149 HB3 LEU 23 HB3 LEU 23 2.035 -6.931 5.697 150 HG LEU 23 HG LEU 23 2.581 -9.534 5.936 151 HD11 LEU 23 HD11 LEU 23 3.991 -9.657 3.837 152 HD12 LEU 23 HD12 LEU 23 4.864 -10.089 5.301 153 HD13 LEU 23 HD13 LEU 23 5.106 -8.492 4.565 154 HD21 LEU 23 HD21 LEU 23 4.488 -7.302 6.726 155 HD22 LEU 23 HD22 LEU 23 4.420 -8.924 7.454 156 HD23 LEU 23 HD23 LEU 23 3.051 -7.833 7.615 157 H ASP 24 H ASP 24 0.794 -10.353 4.999 158 HA ASP 24 HA ASP 24 2.225 -11.911 3.129 159 HB2 ASP 24 HB2 ASP 24 1.508 -12.773 5.345 160 HB3 ASP 24 HB3 ASP 24 -0.138 -12.908 4.727 161 H TYR 25 H TYR 25 -1.274 -11.069 3.252 162 HA TYR 25 HA TYR 25 -1.973 -12.587 0.951 163 HB2 TYR 25 HB2 TYR 25 -3.172 -9.995 1.991 164 HB3 TYR 25 HB3 TYR 25 -3.856 -10.927 0.670 165 HD1 TYR 25 HD1 TYR 25 -4.722 -10.186 3.807 166 HD2 TYR 25 HD2 TYR 25 -3.731 -13.744 1.559 167 HE1 TYR 25 HE1 TYR 25 -6.034 -11.558 5.380 168 HE2 TYR 25 HE2 TYR 25 -5.038 -15.098 3.106 169 HH TYR 25 HH TYR 25 -6.152 -15.098 5.222 170 H PHE 26 H PHE 26 -0.790 -9.162 1.178 171 HA PHE 26 HA PHE 26 -0.770 -8.679 -1.578 172 HB2 PHE 26 HB2 PHE 26 0.479 -7.510 0.850 173 HB3 PHE 26 HB3 PHE 26 1.433 -7.290 -0.585 174 HD1 PHE 26 HD1 PHE 26 0.738 -5.861 -2.386 175 HD2 PHE 26 HD2 PHE 26 -1.926 -6.612 0.900 176 HE1 PHE 26 HE1 PHE 26 -0.672 -3.955 -3.114 177 HE2 PHE 26 HE2 PHE 26 -3.368 -4.764 0.145 178 HZ PHE 26 HZ PHE 26 -2.731 -3.407 -1.850 179 H THR 27 H THR 27 1.936 -10.070 0.456 180 HA THR 27 HA THR 27 3.715 -10.310 -1.740 181 HB THR 27 HB THR 27 5.028 -11.805 -0.268 182 HG1 THR 27 HG1 THR 27 3.482 -12.823 1.058 183 HG21 THR 27 HG21 THR 27 5.232 -9.347 -0.069 184 HG22 THR 27 HG22 THR 27 5.483 -10.165 1.495 185 HG23 THR 27 HG23 THR 27 3.964 -9.327 1.194 186 H THR 28 H THR 28 1.408 -12.682 -0.370 187 HA THR 28 HA THR 28 2.071 -14.851 -2.051 188 HB THR 28 HB THR 28 -0.469 -14.076 -0.539 189 HG1 THR 28 HG1 THR 28 0.550 -14.975 1.138 190 HG21 THR 28 HG21 THR 28 -1.004 -15.892 -2.153 191 HG22 THR 28 HG22 THR 28 -0.993 -16.477 -0.483 192 HG23 THR 28 HG23 THR 28 0.387 -16.827 -1.537 193 H GLN 29 H GLN 29 0.087 -11.955 -2.646 194 HA GLN 29 HA GLN 29 -1.106 -13.042 -5.108 195 HB2 GLN 29 HB2 GLN 29 -1.074 -10.300 -3.779 196 HB3 GLN 29 HB3 GLN 29 -1.914 -10.661 -5.291 197 HG2 GLN 29 HG2 GLN 29 -2.576 -12.230 -2.785 198 HG3 GLN 29 HG3 GLN 29 -3.356 -10.699 -3.180 199 HE21 GLN 29 HE21 GLN 29 -4.556 -10.582 -5.297 200 HE22 GLN 29 HE22 GLN 29 -4.845 -12.037 -6.225 201 H GLY 30 H GLY 30 1.765 -11.259 -4.220 202 HA2 GLY 30 HA2 GLY 30 3.598 -10.605 -5.454 203 HA3 GLY 30 HA3 GLY 30 2.892 -11.437 -6.851 204 H LEU 31 H LEU 31 1.463 -8.735 -5.017 205 HA LEU 31 HA LEU 31 1.815 -6.872 -7.320 206 HB2 LEU 31 HB2 LEU 31 -0.596 -6.142 -6.749 207 HB3 LEU 31 HB3 LEU 31 -0.321 -7.603 -7.668 208 HG LEU 31 HG LEU 31 -0.709 -8.980 -5.714 209 HD11 LEU 31 HD11 LEU 31 0.009 -7.568 -3.874 210 HD12 LEU 31 HD12 LEU 31 -1.661 -8.029 -3.633 211 HD13 LEU 31 HD13 LEU 31 -1.273 -6.395 -4.243 212 HD21 LEU 31 HD21 LEU 31 -2.563 -8.465 -7.151 213 HD22 LEU 31 HD22 LEU 31 -2.929 -6.997 -6.213 214 HD23 LEU 31 HD23 LEU 31 -3.099 -8.613 -5.481 215 H THR 32 H THR 32 3.168 -7.113 -4.642 216 HA THR 32 HA THR 32 2.204 -4.693 -3.237 217 HB THR 32 HB THR 32 3.051 -5.646 -1.464 218 HG1 THR 32 HG1 THR 32 5.635 -5.900 -2.600 219 HG21 THR 32 HG21 THR 32 4.447 -7.858 -2.978 220 HG22 THR 32 HG22 THR 32 2.725 -7.837 -2.535 221 HG23 THR 32 HG23 THR 32 3.964 -7.808 -1.275 222 H THR 33 H THR 33 2.752 -2.604 -3.908 223 HA THR 33 HA THR 33 5.513 -2.152 -4.476 224 HB THR 33 HB THR 33 5.284 -2.523 -6.668 225 HG1 THR 33 HG1 THR 33 5.331 -0.681 -7.435 226 HG21 THR 33 HG21 THR 33 3.174 -3.782 -6.658 227 HG22 THR 33 HG22 THR 33 3.186 -2.693 -8.019 228 HG23 THR 33 HG23 THR 33 2.214 -2.291 -6.583 229 H ILE 34 H ILE 34 5.910 0.088 -4.220 230 HA ILE 34 HA ILE 34 3.906 1.417 -2.522 231 HB ILE 34 HB ILE 34 6.550 2.609 -3.380 232 HG12 ILE 34 HG12 ILE 34 7.013 0.400 -2.313 233 HG13 ILE 34 HG13 ILE 34 7.658 1.796 -1.471 234 HG21 ILE 34 HG21 ILE 34 4.654 3.111 -1.021 235 HG22 ILE 34 HG22 ILE 34 6.288 3.781 -1.125 236 HG23 ILE 34 HG23 ILE 34 5.070 4.230 -2.327 237 HD11 ILE 34 HD11 ILE 34 5.835 1.706 0.191 238 HD12 ILE 34 HD12 ILE 34 5.174 0.291 -0.646 239 HD13 ILE 34 HD13 ILE 34 6.772 0.240 0.145 240 H TYR 35 H TYR 35 5.632 2.308 -5.462 241 HA TYR 35 HA TYR 35 4.392 4.730 -6.030 242 HB2 TYR 35 HB2 TYR 35 5.523 2.776 -8.066 243 HB3 TYR 35 HB3 TYR 35 5.474 4.531 -8.151 244 HD1 TYR 35 HD1 TYR 35 7.161 1.615 -6.578 245 HD2 TYR 35 HD2 TYR 35 7.151 5.918 -6.986 246 HE1 TYR 35 HE1 TYR 35 9.419 1.714 -5.564 247 HE2 TYR 35 HE2 TYR 35 9.402 6.014 -5.963 248 HH TYR 35 HH TYR 35 11.019 4.787 -4.803 249 H GLN 36 H GLN 36 3.182 1.567 -6.400 250 HA GLN 36 HA GLN 36 1.236 2.275 -8.529 251 HB2 GLN 36 HB2 GLN 36 1.962 -0.233 -7.008 252 HB3 GLN 36 HB3 GLN 36 0.477 -0.177 -7.957 253 HG2 GLN 36 HG2 GLN 36 3.181 0.562 -9.162 254 HG3 GLN 36 HG3 GLN 36 2.485 -1.055 -9.237 255 HE21 GLN 36 HE21 GLN 36 2.869 1.499 -11.355 256 HE22 GLN 36 HE22 GLN 36 1.366 1.199 -12.201 257 H ILE 37 H ILE 37 1.059 1.564 -4.959 258 HA ILE 37 HA ILE 37 -1.792 1.735 -4.989 259 HB ILE 37 HB ILE 37 -1.613 2.244 -2.552 260 HG12 ILE 37 HG12 ILE 37 1.325 1.573 -2.906 261 HG13 ILE 37 HG13 ILE 37 0.731 3.238 -2.769 262 HG21 ILE 37 HG21 ILE 37 -1.080 -0.072 -2.004 263 HG22 ILE 37 HG22 ILE 37 -2.018 0.015 -3.489 264 HG23 ILE 37 HG23 ILE 37 -0.258 -0.284 -3.574 265 HD11 ILE 37 HD11 ILE 37 -0.259 2.690 -0.576 266 HD12 ILE 37 HD12 ILE 37 0.389 1.053 -0.721 267 HD13 ILE 37 HD13 ILE 37 1.504 2.442 -0.631 268 H GLU 38 H GLU 38 0.602 4.242 -5.346 269 HA GLU 38 HA GLU 38 -1.265 6.246 -4.412 270 HB2 GLU 38 HB2 GLU 38 1.543 6.319 -5.483 271 HB3 GLU 38 HB3 GLU 38 0.566 7.754 -5.762 272 HG2 GLU 38 HG2 GLU 38 1.174 6.492 -3.076 273 HG3 GLU 38 HG3 GLU 38 1.711 8.058 -3.662 274 H HIS 39 H HIS 39 -1.131 4.453 -7.210 275 HA HIS 39 HA HIS 39 -2.769 6.497 -8.660 276 HB2 HIS 39 HB2 HIS 39 -1.149 4.163 -9.722 277 HB3 HIS 39 HB3 HIS 39 -2.035 5.334 -10.683 278 HD1 HIS 39 HD1 HIS 39 -1.013 8.026 -9.175 279 HD2 HIS 39 HD2 HIS 39 1.340 4.690 -10.182 280 HE1 HIS 39 HE1 HIS 39 1.387 8.839 -9.180 281 H TYR 40 H TYR 40 -2.669 3.246 -7.294 282 HA TYR 40 HA TYR 40 -5.116 2.371 -8.524 283 HB2 TYR 40 HB2 TYR 40 -3.334 1.361 -6.289 284 HB3 TYR 40 HB3 TYR 40 -4.927 0.670 -6.529 285 HD1 TYR 40 HD1 TYR 40 -1.589 -0.209 -7.191 286 HD2 TYR 40 HD2 TYR 40 -5.428 0.291 -9.222 287 HE1 TYR 40 HE1 TYR 40 -0.986 -1.889 -8.836 288 HE2 TYR 40 HE2 TYR 40 -4.806 -1.479 -10.794 289 HH TYR 40 HH TYR 40 -3.199 -3.490 -10.747 290 H SER 41 H SER 41 -6.797 3.786 -8.126 291 HA SER 41 HA SER 41 -7.274 4.988 -5.556 292 HB2 SER 41 HB2 SER 41 -9.137 4.518 -7.941 293 HB3 SER 41 HB3 SER 41 -9.491 5.538 -6.541 294 HG SER 41 HG SER 41 -7.698 5.947 -8.640 295 H MET 42 H MET 42 -9.499 4.697 -4.546 296 HA MET 42 HA MET 42 -9.640 2.247 -3.212 297 HB2 MET 42 HB2 MET 42 -11.732 4.409 -3.608 298 HB3 MET 42 HB3 MET 42 -11.914 3.050 -2.489 299 HG2 MET 42 HG2 MET 42 -9.781 3.696 -1.374 300 HG3 MET 42 HG3 MET 42 -9.677 5.121 -2.408 301 HE1 MET 42 HE1 MET 42 -10.908 7.352 -1.968 302 HE2 MET 42 HE2 MET 42 -12.289 6.481 -2.676 303 HE3 MET 42 HE3 MET 42 -12.501 7.416 -1.181 304 H ASP 43 H ASP 43 -11.249 3.122 -6.268 305 HA ASP 43 HA ASP 43 -13.171 1.022 -6.323 306 HB2 ASP 43 HB2 ASP 43 -13.396 2.726 -7.954 307 HB3 ASP 43 HB3 ASP 43 -11.719 2.579 -8.476 308 H ASP 44 H ASP 44 -9.812 1.150 -7.628 309 HA ASP 44 HA ASP 44 -9.846 -1.554 -8.562 310 HB2 ASP 44 HB2 ASP 44 -7.863 0.635 -8.347 311 HB3 ASP 44 HB3 ASP 44 -7.170 -0.960 -8.099 312 H LEU 45 H LEU 45 -8.734 -0.032 -5.552 313 HA LEU 45 HA LEU 45 -7.596 -2.383 -4.389 314 HB2 LEU 45 HB2 LEU 45 -8.933 0.011 -3.055 315 HB3 LEU 45 HB3 LEU 45 -8.018 -1.217 -2.172 316 HG LEU 45 HG LEU 45 -6.798 0.430 -4.431 317 HD11 LEU 45 HD11 LEU 45 -5.766 1.795 -2.709 318 HD12 LEU 45 HD12 LEU 45 -6.704 0.986 -1.429 319 HD13 LEU 45 HD13 LEU 45 -7.513 1.986 -2.665 320 HD21 LEU 45 HD21 LEU 45 -4.670 -0.229 -3.469 321 HD22 LEU 45 HD22 LEU 45 -5.609 -1.698 -3.784 322 HD23 LEU 45 HD23 LEU 45 -5.477 -1.062 -2.135 323 H ALA 46 H ALA 46 -10.967 -1.080 -4.109 324 HA ALA 46 HA ALA 46 -11.957 -3.261 -2.579 325 HB1 ALA 46 HB1 ALA 46 -13.390 -1.507 -4.611 326 HB2 ALA 46 HB2 ALA 46 -14.180 -2.484 -3.355 327 HB3 ALA 46 HB3 ALA 46 -13.152 -1.101 -2.898 328 H SER 47 H SER 47 -11.436 -2.926 -6.061 329 HA SER 47 HA SER 47 -13.044 -5.127 -6.960 330 HB2 SER 47 HB2 SER 47 -12.358 -3.169 -8.316 331 HB3 SER 47 HB3 SER 47 -10.675 -3.675 -8.192 332 HG SER 47 HG SER 47 -12.820 -4.958 -9.495 333 H LEU 48 H LEU 48 -9.640 -4.730 -6.039 334 HA LEU 48 HA LEU 48 -8.717 -7.348 -6.652 335 HB2 LEU 48 HB2 LEU 48 -7.647 -4.994 -5.078 336 HB3 LEU 48 HB3 LEU 48 -6.734 -6.493 -5.157 337 HG LEU 48 HG LEU 48 -7.680 -5.105 -7.691 338 HD11 LEU 48 HD11 LEU 48 -5.017 -4.763 -6.262 339 HD12 LEU 48 HD12 LEU 48 -6.292 -3.527 -6.384 340 HD13 LEU 48 HD13 LEU 48 -5.466 -4.082 -7.846 341 HD21 LEU 48 HD21 LEU 48 -5.463 -7.137 -7.106 342 HD22 LEU 48 HD22 LEU 48 -5.794 -6.395 -8.681 343 HD23 LEU 48 HD23 LEU 48 -6.986 -7.463 -7.960 344 H LYS 49 H LYS 49 -11.048 -7.241 -4.894 345 HA LYS 49 HA LYS 49 -12.058 -8.404 -3.327 346 HB2 LYS 49 HB2 LYS 49 -9.543 -10.066 -2.898 347 HB3 LYS 49 HB3 LYS 49 -11.191 -10.555 -2.562 348 HG2 LYS 49 HG2 LYS 49 -10.071 -10.061 -5.364 349 HG3 LYS 49 HG3 LYS 49 -10.135 -11.625 -4.570 350 HD2 LYS 49 HD2 LYS 49 -12.517 -11.659 -4.535 351 HD3 LYS 49 HD3 LYS 49 -12.646 -9.974 -5.041 352 HE2 LYS 49 HE2 LYS 49 -11.364 -12.176 -6.730 353 HE3 LYS 49 HE3 LYS 49 -13.067 -11.714 -6.849 354 HZ1 LYS 49 HZ1 LYS 49 -11.668 -10.600 -8.504 355 HZ2 LYS 49 HZ2 LYS 49 -10.811 -9.853 -7.362 356 HZ3 LYS 49 HZ3 LYS 49 -12.409 -9.519 -7.525 357 H ILE 50 H ILE 50 -9.924 -6.206 -2.602 358 HA ILE 50 HA ILE 50 -9.230 -6.731 0.119 359 HB ILE 50 HB ILE 50 -9.354 -4.058 -1.280 360 HG12 ILE 50 HG12 ILE 50 -8.051 -5.642 -2.722 361 HG13 ILE 50 HG13 ILE 50 -7.035 -4.430 -2.015 362 HG21 ILE 50 HG21 ILE 50 -7.621 -3.401 0.239 363 HG22 ILE 50 HG22 ILE 50 -8.946 -4.101 1.185 364 HG23 ILE 50 HG23 ILE 50 -7.503 -5.068 0.849 365 HD11 ILE 50 HD11 ILE 50 -6.047 -6.028 -0.488 366 HD12 ILE 50 HD12 ILE 50 -7.318 -7.227 -0.809 367 HD13 ILE 50 HD13 ILE 50 -6.166 -6.827 -2.068 368 HA PRO 51 HA PRO 51 -13.340 -5.633 1.593 369 HB2 PRO 51 HB2 PRO 51 -12.922 -5.890 4.288 370 HB3 PRO 51 HB3 PRO 51 -13.117 -7.294 3.189 371 HG2 PRO 51 HG2 PRO 51 -10.565 -6.108 4.287 372 HG3 PRO 51 HG3 PRO 51 -11.007 -7.835 4.103 373 HD2 PRO 51 HD2 PRO 51 -9.419 -6.482 2.319 374 HD3 PRO 51 HD3 PRO 51 -10.467 -7.849 1.849 375 H GLU 52 H GLU 52 -14.209 -3.688 2.377 376 HA GLU 52 HA GLU 52 -12.815 -1.349 2.103 377 HB2 GLU 52 HB2 GLU 52 -14.738 -0.238 2.960 378 HB3 GLU 52 HB3 GLU 52 -15.242 -1.657 2.040 379 HG2 GLU 52 HG2 GLU 52 -15.123 -2.736 4.560 380 HG3 GLU 52 HG3 GLU 52 -15.527 -1.077 4.967 381 H GLN 53 H GLN 53 -13.321 -3.052 5.175 382 HA GLN 53 HA GLN 53 -12.432 -1.166 6.978 383 HB2 GLN 53 HB2 GLN 53 -12.005 -4.201 6.933 384 HB3 GLN 53 HB3 GLN 53 -11.838 -3.205 8.374 385 HG2 GLN 53 HG2 GLN 53 -14.459 -3.329 6.804 386 HG3 GLN 53 HG3 GLN 53 -14.019 -4.498 8.032 387 HE21 GLN 53 HE21 GLN 53 -15.315 -4.007 9.708 388 HE22 GLN 53 HE22 GLN 53 -15.411 -2.424 10.477 389 H PHE 54 H PHE 54 -10.408 -3.681 5.445 390 HA PHE 54 HA PHE 54 -7.979 -2.498 6.544 391 HB2 PHE 54 HB2 PHE 54 -7.839 -4.811 6.332 392 HB3 PHE 54 HB3 PHE 54 -8.611 -4.827 4.753 393 HD1 PHE 54 HD1 PHE 54 -7.447 -4.678 2.834 394 HD2 PHE 54 HD2 PHE 54 -5.409 -3.730 6.486 395 HE1 PHE 54 HE1 PHE 54 -5.262 -4.554 1.578 396 HE2 PHE 54 HE2 PHE 54 -3.286 -3.556 5.278 397 HZ PHE 54 HZ PHE 54 -3.207 -3.977 2.796 398 H ARG 55 H ARG 55 -9.583 -2.560 3.310 399 HA ARG 55 HA ARG 55 -7.703 -1.207 1.787 400 HB2 ARG 55 HB2 ARG 55 -9.646 -2.058 0.745 401 HB3 ARG 55 HB3 ARG 55 -10.720 -1.149 1.798 402 HG2 ARG 55 HG2 ARG 55 -10.138 0.964 0.736 403 HG3 ARG 55 HG3 ARG 55 -8.882 0.179 -0.224 404 HD2 ARG 55 HD2 ARG 55 -10.847 0.610 -1.595 405 HD3 ARG 55 HD3 ARG 55 -10.576 -1.123 -1.418 406 HE ARG 55 HE ARG 55 -12.601 -1.367 -0.450 407 HH11 ARG 55 HH11 ARG 55 -11.923 2.144 -0.088 408 HH12 ARG 55 HH12 ARG 55 -13.605 2.496 0.132 409 HH21 ARG 55 HH21 ARG 55 -14.712 -0.822 -0.101 410 HH22 ARG 55 HH22 ARG 55 -15.180 0.844 0.161 411 H HIS 56 H HIS 56 -10.169 0.309 3.959 412 HA HIS 56 HA HIS 56 -9.422 2.953 3.278 413 HB2 HIS 56 HB2 HIS 56 -10.668 1.777 5.821 414 HB3 HIS 56 HB3 HIS 56 -10.458 3.503 5.557 415 HD1 HIS 56 HD1 HIS 56 -11.645 4.101 2.831 416 HD2 HIS 56 HD2 HIS 56 -13.207 1.290 5.551 417 HE1 HIS 56 HE1 HIS 56 -14.167 3.936 2.356 418 H ALA 57 H ALA 57 -7.972 0.677 5.654 419 HA ALA 57 HA ALA 57 -6.465 2.727 6.957 420 HB1 ALA 57 HB1 ALA 57 -7.102 0.544 7.959 421 HB2 ALA 57 HB2 ALA 57 -5.996 -0.266 6.824 422 HB3 ALA 57 HB3 ALA 57 -5.359 0.874 8.030 423 H ILE 58 H ILE 58 -5.635 0.353 4.280 424 HA ILE 58 HA ILE 58 -2.913 1.158 4.194 425 HB ILE 58 HB ILE 58 -3.324 -0.867 3.203 426 HG12 ILE 58 HG12 ILE 58 -2.831 -0.753 0.830 427 HG13 ILE 58 HG13 ILE 58 -3.445 0.889 0.674 428 HG21 ILE 58 HG21 ILE 58 -4.893 -1.493 1.463 429 HG22 ILE 58 HG22 ILE 58 -5.715 -0.917 2.885 430 HG23 ILE 58 HG23 ILE 58 -5.573 0.138 1.448 431 HD11 ILE 58 HD11 ILE 58 -1.455 1.795 1.300 432 HD12 ILE 58 HD12 ILE 58 -1.221 0.645 2.630 433 HD13 ILE 58 HD13 ILE 58 -0.803 0.201 0.954 434 H TRP 59 H TRP 59 -5.786 2.087 2.319 435 HA TRP 59 HA TRP 59 -4.441 3.914 0.649 436 HB2 TRP 59 HB2 TRP 59 -6.766 2.827 0.444 437 HB3 TRP 59 HB3 TRP 59 -7.346 4.167 1.431 438 HD1 TRP 59 HD1 TRP 59 -5.253 3.594 -1.790 439 HE1 TRP 59 HE1 TRP 59 -5.762 5.499 -3.461 440 HE3 TRP 59 HE3 TRP 59 -8.107 6.466 1.186 441 HZ2 TRP 59 HZ2 TRP 59 -7.281 7.980 -3.468 442 HZ3 TRP 59 HZ3 TRP 59 -8.884 8.743 0.445 443 HH2 TRP 59 HH2 TRP 59 -8.513 9.455 -1.893 444 H LYS 60 H LYS 60 -6.083 4.419 3.832 445 HA LYS 60 HA LYS 60 -5.551 7.200 3.936 446 HB2 LYS 60 HB2 LYS 60 -7.158 6.062 5.393 447 HB3 LYS 60 HB3 LYS 60 -5.861 5.116 6.129 448 HG2 LYS 60 HG2 LYS 60 -6.604 6.875 7.598 449 HG3 LYS 60 HG3 LYS 60 -4.927 7.159 7.134 450 HD2 LYS 60 HD2 LYS 60 -5.585 8.877 5.532 451 HD3 LYS 60 HD3 LYS 60 -7.299 8.517 5.758 452 HE2 LYS 60 HE2 LYS 60 -5.425 9.466 7.967 453 HE3 LYS 60 HE3 LYS 60 -6.424 10.553 6.998 454 HZ1 LYS 60 HZ1 LYS 60 -7.521 8.361 8.631 455 HZ2 LYS 60 HZ2 LYS 60 -8.376 9.503 7.800 456 HZ3 LYS 60 HZ3 LYS 60 -7.446 9.921 9.112 457 H GLY 61 H GLY 61 -3.488 4.405 4.941 458 HA2 GLY 61 HA2 GLY 61 -1.507 5.926 6.253 459 HA3 GLY 61 HA3 GLY 61 -1.218 4.387 5.402 460 H ILE 62 H ILE 62 -1.612 4.916 2.800 461 HA ILE 62 HA ILE 62 0.800 6.372 2.218 462 HB ILE 62 HB ILE 62 0.014 4.398 1.144 463 HG12 ILE 62 HG12 ILE 62 0.714 5.068 -1.235 464 HG13 ILE 62 HG13 ILE 62 0.781 6.722 -0.638 465 HG21 ILE 62 HG21 ILE 62 -1.992 6.107 -0.354 466 HG22 ILE 62 HG22 ILE 62 -1.529 4.489 -0.850 467 HG23 ILE 62 HG23 ILE 62 -2.315 4.728 0.718 468 HD11 ILE 62 HD11 ILE 62 2.992 5.564 -0.663 469 HD12 ILE 62 HD12 ILE 62 2.552 6.109 0.961 470 HD13 ILE 62 HD13 ILE 62 2.373 4.393 0.526 471 H LEU 63 H LEU 63 -2.641 7.147 1.750 472 HA LEU 63 HA LEU 63 -2.172 9.620 0.370 473 HB2 LEU 63 HB2 LEU 63 -4.482 8.502 1.944 474 HB3 LEU 63 HB3 LEU 63 -4.414 10.241 1.807 475 HG LEU 63 HG LEU 63 -5.821 9.198 0.089 476 HD11 LEU 63 HD11 LEU 63 -4.770 11.430 -0.270 477 HD12 LEU 63 HD12 LEU 63 -5.079 10.533 -1.780 478 HD13 LEU 63 HD13 LEU 63 -3.440 10.626 -1.136 479 HD21 LEU 63 HD21 LEU 63 -3.227 8.117 -1.084 480 HD22 LEU 63 HD22 LEU 63 -4.807 8.099 -1.862 481 HD23 LEU 63 HD23 LEU 63 -4.542 7.150 -0.393 482 H ASP 64 H ASP 64 -2.039 8.669 3.732 483 HA ASP 64 HA ASP 64 -1.969 11.383 4.792 484 HB2 ASP 64 HB2 ASP 64 -1.127 8.743 6.023 485 HB3 ASP 64 HB3 ASP 64 -0.875 10.296 6.786 486 H HIS 65 H HIS 65 0.416 9.038 3.775 487 HA HIS 65 HA HIS 65 2.770 10.435 4.703 488 HB2 HIS 65 HB2 HIS 65 2.712 8.011 4.275 489 HB3 HIS 65 HB3 HIS 65 2.406 8.283 2.578 490 HD1 HIS 65 HD1 HIS 65 5.225 10.030 4.719 491 HD2 HIS 65 HD2 HIS 65 4.500 7.663 1.275 492 HE1 HIS 65 HE1 HIS 65 7.456 9.716 3.575 493 H ARG 66 H ARG 66 1.286 10.042 1.454 494 HA ARG 66 HA ARG 66 3.152 11.806 0.187 495 HB2 ARG 66 HB2 ARG 66 1.696 11.661 -1.765 496 HB3 ARG 66 HB3 ARG 66 1.885 10.072 -1.027 497 HG2 ARG 66 HG2 ARG 66 -0.381 9.959 -1.182 498 HG3 ARG 66 HG3 ARG 66 -0.341 10.885 0.280 499 HD2 ARG 66 HD2 ARG 66 -1.799 12.161 -0.887 500 HD3 ARG 66 HD3 ARG 66 -0.302 12.974 -1.315 501 HE ARG 66 HE ARG 66 -1.352 10.739 -2.984 502 HH11 ARG 66 HH11 ARG 66 0.182 13.958 -3.062 503 HH12 ARG 66 HH12 ARG 66 0.227 13.888 -4.808 504 HH21 ARG 66 HH21 ARG 66 -1.594 10.960 -5.178 505 HH22 ARG 66 HH22 ARG 66 -0.762 12.271 -5.980 506 H GLN 67 H GLN 67 0.111 12.354 2.002 507 HA GLN 67 HA GLN 67 0.043 15.103 0.979 508 HB2 GLN 67 HB2 GLN 67 -1.826 15.505 2.117 509 HB3 GLN 67 HB3 GLN 67 -1.943 13.781 1.777 510 HG2 GLN 67 HG2 GLN 67 -1.461 13.267 4.096 511 HG3 GLN 67 HG3 GLN 67 -1.071 14.934 4.454 512 HE21 GLN 67 HE21 GLN 67 -2.628 15.443 5.966 513 HE22 GLN 67 HE22 GLN 67 -4.355 15.428 5.595 514 H LEU 68 H LEU 68 1.453 13.472 3.662 515 HA LEU 68 HA LEU 68 2.088 15.781 5.295 516 HB2 LEU 68 HB2 LEU 68 3.000 12.903 5.187 517 HB3 LEU 68 HB3 LEU 68 4.001 14.045 6.055 518 HG LEU 68 HG LEU 68 1.041 13.670 6.674 519 HD11 LEU 68 HD11 LEU 68 1.910 12.358 8.631 520 HD12 LEU 68 HD12 LEU 68 3.538 12.413 7.904 521 HD13 LEU 68 HD13 LEU 68 2.224 11.596 7.070 522 HD21 LEU 68 HD21 LEU 68 1.743 15.803 7.453 523 HD22 LEU 68 HD22 LEU 68 3.310 15.215 7.981 524 HD23 LEU 68 HD23 LEU 68 1.815 14.739 8.846 525 H HIS 69 H HIS 69 3.999 13.920 2.838 526 HA HIS 69 HA HIS 69 6.226 15.754 3.188 527 HB2 HIS 69 HB2 HIS 69 5.733 13.134 1.847 528 HB3 HIS 69 HB3 HIS 69 6.950 14.155 1.125 529 HD1 HIS 69 HD1 HIS 69 6.790 14.584 4.873 530 HD2 HIS 69 HD2 HIS 69 8.825 12.318 1.960 531 HE1 HIS 69 HE1 HIS 69 8.804 13.576 6.038 532 H ASP 70 H ASP 70 7.258 16.182 0.728 533 HA ASP 70 HA ASP 70 5.295 17.860 -0.725 534 HB2 ASP 70 HB2 ASP 70 6.523 19.159 1.018 535 HB3 ASP 70 HB3 ASP 70 8.038 18.683 0.281 Start of MODEL 4 1 H1 GLY 1 H GLY 1 13.128 -16.045 10.744 2 HA2 GLY 1 HA2 GLY 1 14.926 -13.732 11.193 3 HA3 GLY 1 HA3 GLY 1 15.010 -14.798 9.778 4 HA PRO 2 HA PRO 2 11.533 -11.446 9.509 5 HB2 PRO 2 HB2 PRO 2 12.885 -9.217 8.525 6 HB3 PRO 2 HB3 PRO 2 12.516 -9.525 10.244 7 HG2 PRO 2 HG2 PRO 2 15.067 -10.011 8.784 8 HG3 PRO 2 HG3 PRO 2 14.823 -9.317 10.419 9 HD2 PRO 2 HD2 PRO 2 15.546 -11.917 9.996 10 HD3 PRO 2 HD3 PRO 2 14.505 -11.423 11.361 11 H LEU 3 H LEU 3 10.966 -10.201 7.388 12 HA LEU 3 HA LEU 3 11.734 -11.880 5.031 13 HB2 LEU 3 HB2 LEU 3 9.235 -10.212 5.459 14 HB3 LEU 3 HB3 LEU 3 9.534 -11.330 4.139 15 HG LEU 3 HG LEU 3 9.053 -12.044 7.062 16 HD11 LEU 3 HD11 LEU 3 7.064 -11.306 5.790 17 HD12 LEU 3 HD12 LEU 3 6.974 -13.005 6.239 18 HD13 LEU 3 HD13 LEU 3 7.372 -12.556 4.566 19 HD21 LEU 3 HD21 LEU 3 9.494 -13.936 4.714 20 HD22 LEU 3 HD22 LEU 3 9.047 -14.391 6.370 21 HD23 LEU 3 HD23 LEU 3 10.625 -13.654 6.055 22 H GLY 4 H GLY 4 11.313 -10.476 2.889 23 HA2 GLY 4 HA2 GLY 4 11.241 -7.866 2.471 24 HA3 GLY 4 HA3 GLY 4 12.778 -7.896 3.310 25 H SER 5 H SER 5 11.398 -10.033 0.675 26 HA SER 5 HA SER 5 13.888 -10.353 -0.597 27 HB2 SER 5 HB2 SER 5 11.476 -11.495 -0.919 28 HB3 SER 5 HB3 SER 5 11.399 -10.367 -2.278 29 HG SER 5 HG SER 5 13.479 -11.250 -2.922 30 H THR 6 H THR 6 11.189 -8.181 -1.656 31 HA THR 6 HA THR 6 13.079 -6.523 -3.203 32 HB THR 6 HB THR 6 10.054 -6.357 -2.934 33 HG1 THR 6 HG1 THR 6 11.590 -8.019 -4.660 34 HG21 THR 6 HG21 THR 6 11.163 -4.452 -4.075 35 HG22 THR 6 HG22 THR 6 10.091 -5.372 -5.136 36 HG23 THR 6 HG23 THR 6 11.861 -5.582 -5.256 37 H ASP 7 H ASP 7 13.574 -4.374 -2.477 38 HA ASP 7 HA ASP 7 12.856 -3.725 0.283 39 HB2 ASP 7 HB2 ASP 7 15.070 -3.114 -0.416 40 HB3 ASP 7 HB3 ASP 7 14.437 -2.151 -1.763 41 H CYS 8 H CYS 8 12.436 -2.175 -2.917 42 HA CYS 8 HA CYS 8 10.431 -0.310 -2.013 43 HB2 CYS 8 HB2 CYS 8 11.216 -1.047 -4.859 44 HB3 CYS 8 HB3 CYS 8 10.416 0.428 -4.283 45 HG CYS 8 HG CYS 8 12.408 1.117 -2.631 46 H SER 9 H SER 9 8.928 -1.777 -1.042 47 HA SER 9 HA SER 9 6.806 -2.617 -2.844 48 HB2 SER 9 HB2 SER 9 8.341 -4.529 -2.924 49 HB3 SER 9 HB3 SER 9 8.454 -4.573 -1.172 50 HG SER 9 HG SER 9 7.075 -6.154 -2.044 51 H ILE 10 H ILE 10 4.841 -2.988 -1.564 52 HA ILE 10 HA ILE 10 4.460 -1.232 0.584 53 HB ILE 10 HB ILE 10 2.751 -3.651 -0.144 54 HG12 ILE 10 HG12 ILE 10 2.353 -0.814 -1.146 55 HG13 ILE 10 HG13 ILE 10 3.176 -2.080 -2.019 56 HG21 ILE 10 HG21 ILE 10 2.054 -1.121 1.380 57 HG22 ILE 10 HG22 ILE 10 0.866 -2.315 0.812 58 HG23 ILE 10 HG23 ILE 10 2.063 -2.801 1.979 59 HD11 ILE 10 HD11 ILE 10 0.248 -2.006 -1.260 60 HD12 ILE 10 HD12 ILE 10 0.955 -2.191 -2.863 61 HD13 ILE 10 HD13 ILE 10 1.056 -3.515 -1.693 62 H VAL 11 H VAL 11 5.660 -4.474 0.552 63 HA VAL 11 HA VAL 11 4.920 -5.413 3.090 64 HB VAL 11 HB VAL 11 7.011 -6.626 3.195 65 HG11 VAL 11 HG11 VAL 11 5.082 -7.425 1.772 66 HG12 VAL 11 HG12 VAL 11 5.844 -6.669 0.363 67 HG13 VAL 11 HG13 VAL 11 6.654 -8.007 1.197 68 HG21 VAL 11 HG21 VAL 11 7.904 -4.980 0.833 69 HG22 VAL 11 HG22 VAL 11 8.725 -5.289 2.378 70 HG23 VAL 11 HG23 VAL 11 8.581 -6.577 1.205 71 H SER 12 H SER 12 7.656 -3.292 2.422 72 HA SER 12 HA SER 12 8.564 -2.930 5.119 73 HB2 SER 12 HB2 SER 12 10.045 -2.440 3.345 74 HB3 SER 12 HB3 SER 12 8.857 -1.460 2.474 75 HG SER 12 HG SER 12 10.638 -0.420 3.631 76 H PHE 13 H PHE 13 6.267 -1.173 3.064 77 HA PHE 13 HA PHE 13 5.804 1.027 4.841 78 HB2 PHE 13 HB2 PHE 13 5.221 0.894 2.405 79 HB3 PHE 13 HB3 PHE 13 3.902 -0.199 2.798 80 HD1 PHE 13 HD1 PHE 13 1.753 0.739 3.046 81 HD2 PHE 13 HD2 PHE 13 5.246 3.181 3.741 82 HE1 PHE 13 HE1 PHE 13 0.294 2.738 3.350 83 HE2 PHE 13 HE2 PHE 13 3.805 5.156 4.010 84 HZ PHE 13 HZ PHE 13 1.344 4.943 3.906 85 H PHE 14 H PHE 14 4.131 -2.071 4.363 86 HA PHE 14 HA PHE 14 2.202 -1.759 6.449 87 HB2 PHE 14 HB2 PHE 14 3.306 -4.062 4.824 88 HB3 PHE 14 HB3 PHE 14 2.259 -4.372 6.177 89 HD1 PHE 14 HD1 PHE 14 0.977 -5.486 4.251 90 HD2 PHE 14 HD2 PHE 14 1.358 -1.203 4.572 91 HE1 PHE 14 HE1 PHE 14 -0.924 -5.191 2.691 92 HE2 PHE 14 HE2 PHE 14 -0.550 -0.907 3.064 93 HZ PHE 14 HZ PHE 14 -1.699 -2.928 2.126 94 H ALA 15 H ALA 15 5.523 -3.033 6.431 95 HA ALA 15 HA ALA 15 5.454 -4.065 9.097 96 HB1 ALA 15 HB1 ALA 15 7.270 -4.507 7.424 97 HB2 ALA 15 HB2 ALA 15 7.864 -2.849 7.668 98 HB3 ALA 15 HB3 ALA 15 7.874 -3.999 9.016 99 H ARG 16 H ARG 16 5.946 -0.757 7.785 100 HA ARG 16 HA ARG 16 6.662 0.361 10.371 101 HB2 ARG 16 HB2 ARG 16 5.650 1.674 7.806 102 HB3 ARG 16 HB3 ARG 16 6.096 2.569 9.239 103 HG2 ARG 16 HG2 ARG 16 8.154 0.702 8.044 104 HG3 ARG 16 HG3 ARG 16 7.769 2.203 7.208 105 HD2 ARG 16 HD2 ARG 16 9.667 2.595 8.634 106 HD3 ARG 16 HD3 ARG 16 8.288 3.518 9.228 107 HE ARG 16 HE ARG 16 7.965 1.879 11.006 108 HH11 ARG 16 HH11 ARG 16 11.232 1.841 9.549 109 HH12 ARG 16 HH12 ARG 16 11.855 0.821 10.790 110 HH21 ARG 16 HH21 ARG 16 8.782 0.546 12.507 111 HH22 ARG 16 HH22 ARG 16 10.444 -0.013 12.469 112 H LEU 17 H LEU 17 3.654 0.293 8.419 113 HA LEU 17 HA LEU 17 1.992 1.666 10.275 114 HB2 LEU 17 HB2 LEU 17 1.259 -0.509 8.274 115 HB3 LEU 17 HB3 LEU 17 0.085 0.491 9.112 116 HG LEU 17 HG LEU 17 2.120 1.413 7.096 117 HD11 LEU 17 HD11 LEU 17 0.230 0.113 6.167 118 HD12 LEU 17 HD12 LEU 17 0.200 1.805 5.637 119 HD13 LEU 17 HD13 LEU 17 -0.904 1.265 6.911 120 HD21 LEU 17 HD21 LEU 17 1.674 3.277 8.669 121 HD22 LEU 17 HD22 LEU 17 -0.079 3.044 8.467 122 HD23 LEU 17 HD23 LEU 17 0.909 3.607 7.111 123 H GLY 18 H GLY 18 2.794 -1.818 10.058 124 HA2 GLY 18 HA2 GLY 18 2.839 -3.166 12.017 125 HA3 GLY 18 HA3 GLY 18 1.420 -2.310 12.650 126 H CYS 19 H CYS 19 1.393 -3.025 9.205 127 HA CYS 19 HA CYS 19 -0.867 -4.838 9.680 128 HB2 CYS 19 HB2 CYS 19 0.322 -4.195 6.971 129 HB3 CYS 19 HB3 CYS 19 -1.329 -4.664 7.358 130 HG CYS 19 HG CYS 19 -1.187 -2.119 6.530 131 H SER 20 H SER 20 -0.158 -6.902 10.383 132 HA SER 20 HA SER 20 2.309 -7.978 9.274 133 HB2 SER 20 HB2 SER 20 0.409 -9.260 11.241 134 HB3 SER 20 HB3 SER 20 2.090 -9.705 10.878 135 HG SER 20 HG SER 20 2.107 -8.422 12.676 136 H SER 21 H SER 21 -0.723 -9.949 9.630 137 HA SER 21 HA SER 21 -0.086 -11.612 7.513 138 HB2 SER 21 HB2 SER 21 -2.838 -11.778 7.726 139 HB3 SER 21 HB3 SER 21 -1.648 -12.661 8.683 140 HG SER 21 HG SER 21 -2.808 -11.752 10.217 141 H CYS 22 H CYS 22 -1.482 -8.397 7.259 142 HA CYS 22 HA CYS 22 -2.767 -8.800 4.750 143 HB2 CYS 22 HB2 CYS 22 -1.502 -6.165 5.531 144 HB3 CYS 22 HB3 CYS 22 -3.011 -6.488 4.665 145 HG CYS 22 HG CYS 22 -4.150 -7.705 6.834 146 H LEU 23 H LEU 23 0.662 -8.156 5.607 147 HA LEU 23 HA LEU 23 1.351 -7.479 2.886 148 HB2 LEU 23 HB2 LEU 23 3.495 -7.170 3.587 149 HB3 LEU 23 HB3 LEU 23 2.575 -6.773 5.016 150 HG LEU 23 HG LEU 23 3.098 -9.353 5.624 151 HD11 LEU 23 HD11 LEU 23 5.501 -8.534 3.928 152 HD12 LEU 23 HD12 LEU 23 4.357 -9.819 3.520 153 HD13 LEU 23 HD13 LEU 23 5.352 -9.988 4.954 154 HD21 LEU 23 HD21 LEU 23 5.012 -7.001 5.957 155 HD22 LEU 23 HD22 LEU 23 5.005 -8.502 6.933 156 HD23 LEU 23 HD23 LEU 23 3.636 -7.407 6.990 157 H ASP 24 H ASP 24 1.197 -10.444 4.842 158 HA ASP 24 HA ASP 24 2.578 -12.190 3.064 159 HB2 ASP 24 HB2 ASP 24 2.121 -12.874 5.314 160 HB3 ASP 24 HB3 ASP 24 0.394 -12.611 5.137 161 H TYR 25 H TYR 25 -0.858 -11.279 3.339 162 HA TYR 25 HA TYR 25 -1.857 -12.895 1.228 163 HB2 TYR 25 HB2 TYR 25 -2.782 -10.107 2.047 164 HB3 TYR 25 HB3 TYR 25 -3.735 -11.293 1.191 165 HD1 TYR 25 HD1 TYR 25 -4.688 -9.856 3.527 166 HD2 TYR 25 HD2 TYR 25 -2.474 -13.571 3.371 167 HE1 TYR 25 HE1 TYR 25 -5.747 -10.570 5.629 168 HE2 TYR 25 HE2 TYR 25 -3.535 -14.279 5.483 169 HH TYR 25 HH TYR 25 -6.295 -12.667 6.751 170 H PHE 26 H PHE 26 -0.670 -9.480 1.226 171 HA PHE 26 HA PHE 26 -0.941 -9.080 -1.536 172 HB2 PHE 26 HB2 PHE 26 0.458 -7.758 0.719 173 HB3 PHE 26 HB3 PHE 26 1.247 -7.559 -0.803 174 HD1 PHE 26 HD1 PHE 26 0.265 -6.014 -2.604 175 HD2 PHE 26 HD2 PHE 26 -1.907 -6.992 1.022 176 HE1 PHE 26 HE1 PHE 26 -1.173 -4.157 -3.015 177 HE2 PHE 26 HE2 PHE 26 -3.417 -5.122 0.577 178 HZ PHE 26 HZ PHE 26 -3.072 -3.655 -1.438 179 H THR 27 H THR 27 2.087 -10.162 0.260 180 HA THR 27 HA THR 27 3.616 -10.257 -2.084 181 HB THR 27 HB THR 27 5.134 -11.828 -0.874 182 HG1 THR 27 HG1 THR 27 4.311 -12.151 1.452 183 HG21 THR 27 HG21 THR 27 5.398 -9.481 -0.358 184 HG22 THR 27 HG22 THR 27 5.674 -10.455 1.094 185 HG23 THR 27 HG23 THR 27 4.169 -9.556 0.913 186 H THR 28 H THR 28 1.433 -12.834 -0.834 187 HA THR 28 HA THR 28 2.209 -14.658 -2.901 188 HB THR 28 HB THR 28 -0.267 -14.454 -1.148 189 HG1 THR 28 HG1 THR 28 0.961 -15.631 0.132 190 HG21 THR 28 HG21 THR 28 0.598 -16.684 -3.061 191 HG22 THR 28 HG22 THR 28 -0.925 -15.773 -3.118 192 HG23 THR 28 HG23 THR 28 -0.609 -16.878 -1.777 193 H GLN 29 H GLN 29 -0.338 -12.004 -2.903 194 HA GLN 29 HA GLN 29 -1.316 -12.809 -5.470 195 HB2 GLN 29 HB2 GLN 29 -1.399 -10.164 -3.982 196 HB3 GLN 29 HB3 GLN 29 -2.332 -10.524 -5.434 197 HG2 GLN 29 HG2 GLN 29 -2.600 -12.200 -2.919 198 HG3 GLN 29 HG3 GLN 29 -3.477 -10.694 -3.144 199 HE21 GLN 29 HE21 GLN 29 -5.251 -12.307 -2.801 200 HE22 GLN 29 HE22 GLN 29 -5.974 -13.123 -4.150 201 H GLY 30 H GLY 30 1.651 -11.333 -4.567 202 HA2 GLY 30 HA2 GLY 30 3.438 -10.544 -5.785 203 HA3 GLY 30 HA3 GLY 30 2.665 -11.247 -7.212 204 H LEU 31 H LEU 31 1.124 -8.762 -5.268 205 HA LEU 31 HA LEU 31 1.616 -6.732 -7.403 206 HB2 LEU 31 HB2 LEU 31 -0.726 -5.964 -7.109 207 HB3 LEU 31 HB3 LEU 31 -0.397 -7.390 -8.081 208 HG LEU 31 HG LEU 31 -1.077 -8.600 -5.764 209 HD11 LEU 31 HD11 LEU 31 -2.904 -7.437 -4.659 210 HD12 LEU 31 HD12 LEU 31 -2.822 -6.108 -5.846 211 HD13 LEU 31 HD13 LEU 31 -1.515 -6.328 -4.687 212 HD21 LEU 31 HD21 LEU 31 -3.359 -8.844 -6.645 213 HD22 LEU 31 HD22 LEU 31 -2.061 -9.212 -7.784 214 HD23 LEU 31 HD23 LEU 31 -2.936 -7.670 -7.929 215 H THR 32 H THR 32 2.803 -7.128 -4.674 216 HA THR 32 HA THR 32 1.808 -4.729 -3.284 217 HB THR 32 HB THR 32 2.372 -6.248 -1.732 218 HG1 THR 32 HG1 THR 32 4.984 -5.306 -1.840 219 HG21 THR 32 HG21 THR 32 4.809 -7.199 -3.277 220 HG22 THR 32 HG22 THR 32 3.291 -8.091 -3.007 221 HG23 THR 32 HG23 THR 32 4.355 -7.738 -1.647 222 H THR 33 H THR 33 2.399 -2.731 -3.924 223 HA THR 33 HA THR 33 5.163 -2.215 -4.437 224 HB THR 33 HB THR 33 4.850 -2.692 -6.594 225 HG1 THR 33 HG1 THR 33 5.011 -0.936 -7.503 226 HG21 THR 33 HG21 THR 33 2.642 -2.620 -7.908 227 HG22 THR 33 HG22 THR 33 1.781 -2.324 -6.365 228 HG23 THR 33 HG23 THR 33 2.713 -3.790 -6.645 229 H ILE 34 H ILE 34 5.583 -0.032 -4.222 230 HA ILE 34 HA ILE 34 3.605 1.412 -2.630 231 HB ILE 34 HB ILE 34 6.232 2.655 -3.468 232 HG12 ILE 34 HG12 ILE 34 5.807 0.422 -1.471 233 HG13 ILE 34 HG13 ILE 34 7.064 0.626 -2.710 234 HG21 ILE 34 HG21 ILE 34 4.680 2.899 -0.860 235 HG22 ILE 34 HG22 ILE 34 5.969 3.936 -1.471 236 HG23 ILE 34 HG23 ILE 34 4.393 3.952 -2.250 237 HD11 ILE 34 HD11 ILE 34 8.047 0.885 -0.524 238 HD12 ILE 34 HD12 ILE 34 8.059 2.463 -1.338 239 HD13 ILE 34 HD13 ILE 34 6.862 2.114 -0.057 240 H TYR 35 H TYR 35 5.336 2.166 -5.633 241 HA TYR 35 HA TYR 35 4.144 4.542 -6.341 242 HB2 TYR 35 HB2 TYR 35 4.903 2.551 -8.451 243 HB3 TYR 35 HB3 TYR 35 5.239 4.262 -8.368 244 HD1 TYR 35 HD1 TYR 35 6.992 1.664 -8.974 245 HD2 TYR 35 HD2 TYR 35 6.624 4.290 -5.554 246 HE1 TYR 35 HE1 TYR 35 9.268 1.054 -8.256 247 HE2 TYR 35 HE2 TYR 35 8.841 3.565 -4.765 248 HH TYR 35 HH TYR 35 11.082 1.800 -6.884 249 H GLN 36 H GLN 36 2.900 1.359 -6.561 250 HA GLN 36 HA GLN 36 0.901 2.038 -8.660 251 HB2 GLN 36 HB2 GLN 36 1.401 -0.419 -6.985 252 HB3 GLN 36 HB3 GLN 36 0.010 -0.273 -8.031 253 HG2 GLN 36 HG2 GLN 36 2.887 -0.385 -8.917 254 HG3 GLN 36 HG3 GLN 36 1.556 -1.480 -9.323 255 HE21 GLN 36 HE21 GLN 36 3.231 1.433 -10.183 256 HE22 GLN 36 HE22 GLN 36 2.301 1.777 -11.613 257 H ILE 37 H ILE 37 0.716 1.150 -5.120 258 HA ILE 37 HA ILE 37 -2.032 1.824 -5.005 259 HB ILE 37 HB ILE 37 -1.791 1.880 -2.596 260 HG12 ILE 37 HG12 ILE 37 1.184 1.466 -3.014 261 HG13 ILE 37 HG13 ILE 37 0.459 3.002 -2.529 262 HG21 ILE 37 HG21 ILE 37 -1.206 -0.438 -2.301 263 HG22 ILE 37 HG22 ILE 37 -2.064 -0.234 -3.823 264 HG23 ILE 37 HG23 ILE 37 -0.302 -0.456 -3.833 265 HD11 ILE 37 HD11 ILE 37 1.287 1.922 -0.601 266 HD12 ILE 37 HD12 ILE 37 -0.486 1.853 -0.511 267 HD13 ILE 37 HD13 ILE 37 0.453 0.409 -0.982 268 H GLU 38 H GLU 38 0.808 3.925 -5.036 269 HA GLU 38 HA GLU 38 -0.372 6.262 -3.946 270 HB2 GLU 38 HB2 GLU 38 1.801 5.741 -6.007 271 HB3 GLU 38 HB3 GLU 38 1.332 7.383 -5.573 272 HG2 GLU 38 HG2 GLU 38 2.021 7.120 -3.307 273 HG3 GLU 38 HG3 GLU 38 2.218 5.378 -3.475 274 H HIS 39 H HIS 39 -0.803 4.715 -7.116 275 HA HIS 39 HA HIS 39 -2.386 7.063 -8.043 276 HB2 HIS 39 HB2 HIS 39 -0.312 6.365 -9.308 277 HB3 HIS 39 HB3 HIS 39 -1.151 4.868 -9.720 278 HD1 HIS 39 HD1 HIS 39 -1.068 5.569 -12.340 279 HD2 HIS 39 HD2 HIS 39 -3.092 8.200 -9.750 280 HE1 HIS 39 HE1 HIS 39 -2.402 7.112 -13.822 281 H TYR 40 H TYR 40 -2.578 3.712 -7.196 282 HA TYR 40 HA TYR 40 -5.090 3.174 -8.566 283 HB2 TYR 40 HB2 TYR 40 -3.496 1.665 -6.457 284 HB3 TYR 40 HB3 TYR 40 -5.102 1.177 -6.945 285 HD1 TYR 40 HD1 TYR 40 -2.024 -0.240 -7.292 286 HD2 TYR 40 HD2 TYR 40 -5.136 1.499 -9.863 287 HE1 TYR 40 HE1 TYR 40 -1.401 -1.687 -9.119 288 HE2 TYR 40 HE2 TYR 40 -4.388 0.056 -11.685 289 HH TYR 40 HH TYR 40 -1.659 -2.249 -11.351 290 H SER 41 H SER 41 -6.973 4.036 -7.928 291 HA SER 41 HA SER 41 -7.281 5.356 -5.379 292 HB2 SER 41 HB2 SER 41 -9.398 4.527 -7.415 293 HB3 SER 41 HB3 SER 41 -9.523 5.824 -6.215 294 HG SER 41 HG SER 41 -7.510 6.641 -7.364 295 H MET 42 H MET 42 -9.110 4.793 -3.861 296 HA MET 42 HA MET 42 -8.808 2.245 -2.792 297 HB2 MET 42 HB2 MET 42 -10.835 2.737 -1.440 298 HB3 MET 42 HB3 MET 42 -9.579 3.966 -1.387 299 HG2 MET 42 HG2 MET 42 -10.869 5.408 -2.841 300 HG3 MET 42 HG3 MET 42 -12.099 4.162 -3.085 301 HE1 MET 42 HE1 MET 42 -14.375 4.650 -1.880 302 HE2 MET 42 HE2 MET 42 -13.600 3.193 -1.232 303 HE3 MET 42 HE3 MET 42 -14.387 4.350 -0.131 304 H ASP 43 H ASP 43 -10.976 3.195 -5.378 305 HA ASP 43 HA ASP 43 -12.847 1.108 -5.356 306 HB2 ASP 43 HB2 ASP 43 -11.569 2.710 -7.630 307 HB3 ASP 43 HB3 ASP 43 -12.926 1.606 -7.844 308 H ASP 44 H ASP 44 -9.618 1.393 -6.884 309 HA ASP 44 HA ASP 44 -9.641 -1.138 -8.216 310 HB2 ASP 44 HB2 ASP 44 -7.734 1.082 -7.820 311 HB3 ASP 44 HB3 ASP 44 -6.944 -0.496 -7.741 312 H LEU 45 H LEU 45 -8.416 -0.014 -5.076 313 HA LEU 45 HA LEU 45 -7.168 -2.481 -4.320 314 HB2 LEU 45 HB2 LEU 45 -8.395 -0.287 -2.609 315 HB3 LEU 45 HB3 LEU 45 -7.620 -1.746 -1.979 316 HG LEU 45 HG LEU 45 -5.483 -1.111 -3.043 317 HD11 LEU 45 HD11 LEU 45 -6.283 0.497 -4.801 318 HD12 LEU 45 HD12 LEU 45 -5.071 1.204 -3.739 319 HD13 LEU 45 HD13 LEU 45 -6.772 1.618 -3.512 320 HD21 LEU 45 HD21 LEU 45 -6.729 0.927 -1.132 321 HD22 LEU 45 HD22 LEU 45 -4.991 0.671 -1.375 322 HD23 LEU 45 HD23 LEU 45 -5.979 -0.634 -0.699 323 H ALA 46 H ALA 46 -10.562 -1.289 -3.971 324 HA ALA 46 HA ALA 46 -11.507 -3.628 -2.594 325 HB1 ALA 46 HB1 ALA 46 -12.768 -1.526 -2.626 326 HB2 ALA 46 HB2 ALA 46 -13.024 -1.663 -4.372 327 HB3 ALA 46 HB3 ALA 46 -13.752 -2.854 -3.274 328 H SER 47 H SER 47 -11.127 -2.822 -6.084 329 HA SER 47 HA SER 47 -12.367 -5.207 -7.066 330 HB2 SER 47 HB2 SER 47 -10.342 -3.311 -8.331 331 HB3 SER 47 HB3 SER 47 -11.152 -4.631 -9.177 332 HG SER 47 HG SER 47 -12.214 -2.557 -9.374 333 H LEU 48 H LEU 48 -9.248 -4.628 -5.634 334 HA LEU 48 HA LEU 48 -8.134 -7.191 -6.600 335 HB2 LEU 48 HB2 LEU 48 -7.037 -4.951 -4.879 336 HB3 LEU 48 HB3 LEU 48 -6.145 -6.430 -5.225 337 HG LEU 48 HG LEU 48 -7.242 -4.720 -7.492 338 HD11 LEU 48 HD11 LEU 48 -4.470 -4.436 -6.268 339 HD12 LEU 48 HD12 LEU 48 -5.828 -3.312 -6.002 340 HD13 LEU 48 HD13 LEU 48 -5.172 -3.532 -7.621 341 HD21 LEU 48 HD21 LEU 48 -6.504 -6.994 -8.095 342 HD22 LEU 48 HD22 LEU 48 -4.938 -6.700 -7.314 343 HD23 LEU 48 HD23 LEU 48 -5.403 -5.780 -8.756 344 H LYS 49 H LYS 49 -10.530 -6.844 -4.761 345 HA LYS 49 HA LYS 49 -11.599 -7.947 -3.171 346 HB2 LYS 49 HB2 LYS 49 -9.275 -9.879 -3.481 347 HB3 LYS 49 HB3 LYS 49 -10.544 -10.178 -2.321 348 HG2 LYS 49 HG2 LYS 49 -11.250 -9.549 -5.203 349 HG3 LYS 49 HG3 LYS 49 -10.763 -11.177 -4.728 350 HD2 LYS 49 HD2 LYS 49 -12.956 -9.712 -3.241 351 HD3 LYS 49 HD3 LYS 49 -13.294 -10.625 -4.728 352 HE2 LYS 49 HE2 LYS 49 -12.544 -12.697 -3.792 353 HE3 LYS 49 HE3 LYS 49 -11.770 -11.889 -2.422 354 HZ1 LYS 49 HZ1 LYS 49 -13.830 -12.893 -1.743 355 HZ2 LYS 49 HZ2 LYS 49 -14.681 -12.078 -2.863 356 HZ3 LYS 49 HZ3 LYS 49 -13.944 -11.256 -1.624 357 H ILE 50 H ILE 50 -9.387 -5.904 -2.439 358 HA ILE 50 HA ILE 50 -8.736 -6.641 0.290 359 HB ILE 50 HB ILE 50 -8.674 -3.857 -0.908 360 HG12 ILE 50 HG12 ILE 50 -7.339 -5.409 -2.374 361 HG13 ILE 50 HG13 ILE 50 -6.349 -4.235 -1.534 362 HG21 ILE 50 HG21 ILE 50 -7.077 -5.187 1.307 363 HG22 ILE 50 HG22 ILE 50 -6.919 -3.494 0.785 364 HG23 ILE 50 HG23 ILE 50 -8.394 -4.096 1.588 365 HD11 ILE 50 HD11 ILE 50 -5.418 -6.574 -1.619 366 HD12 ILE 50 HD12 ILE 50 -5.549 -5.909 0.012 367 HD13 ILE 50 HD13 ILE 50 -6.738 -7.099 -0.562 368 HA PRO 51 HA PRO 51 -12.936 -5.629 1.652 369 HB2 PRO 51 HB2 PRO 51 -12.738 -6.162 4.317 370 HB3 PRO 51 HB3 PRO 51 -12.753 -7.453 3.075 371 HG2 PRO 51 HG2 PRO 51 -10.338 -6.219 4.427 372 HG3 PRO 51 HG3 PRO 51 -10.715 -7.953 4.201 373 HD2 PRO 51 HD2 PRO 51 -9.061 -6.590 2.498 374 HD3 PRO 51 HD3 PRO 51 -10.167 -7.855 1.892 375 H GLU 52 H GLU 52 -13.857 -3.793 2.256 376 HA GLU 52 HA GLU 52 -12.696 -1.386 2.300 377 HB2 GLU 52 HB2 GLU 52 -15.076 -1.437 4.045 378 HB3 GLU 52 HB3 GLU 52 -14.659 -0.443 2.680 379 HG2 GLU 52 HG2 GLU 52 -16.539 -1.643 1.975 380 HG3 GLU 52 HG3 GLU 52 -15.200 -2.480 1.185 381 H GLN 53 H GLN 53 -13.344 -3.214 5.328 382 HA GLN 53 HA GLN 53 -12.634 -1.277 7.164 383 HB2 GLN 53 HB2 GLN 53 -12.085 -3.117 8.702 384 HB3 GLN 53 HB3 GLN 53 -13.650 -3.264 7.916 385 HG2 GLN 53 HG2 GLN 53 -12.865 -5.045 6.472 386 HG3 GLN 53 HG3 GLN 53 -11.211 -4.874 7.079 387 HE21 GLN 53 HE21 GLN 53 -12.467 -7.434 7.233 388 HE22 GLN 53 HE22 GLN 53 -12.672 -7.738 8.941 389 H PHE 54 H PHE 54 -10.396 -3.629 5.635 390 HA PHE 54 HA PHE 54 -8.092 -2.281 6.852 391 HB2 PHE 54 HB2 PHE 54 -7.907 -4.567 6.870 392 HB3 PHE 54 HB3 PHE 54 -8.585 -4.776 5.256 393 HD1 PHE 54 HD1 PHE 54 -7.275 -4.914 3.393 394 HD2 PHE 54 HD2 PHE 54 -5.565 -3.377 7.033 395 HE1 PHE 54 HE1 PHE 54 -4.992 -4.978 2.354 396 HE2 PHE 54 HE2 PHE 54 -3.321 -3.362 5.987 397 HZ PHE 54 HZ PHE 54 -3.045 -4.177 3.642 398 H ARG 55 H ARG 55 -9.515 -2.698 3.597 399 HA ARG 55 HA ARG 55 -7.639 -1.566 1.941 400 HB2 ARG 55 HB2 ARG 55 -9.806 -2.639 1.366 401 HB3 ARG 55 HB3 ARG 55 -10.660 -1.200 1.883 402 HG2 ARG 55 HG2 ARG 55 -8.507 -0.930 -0.178 403 HG3 ARG 55 HG3 ARG 55 -10.022 -1.689 -0.681 404 HD2 ARG 55 HD2 ARG 55 -9.778 1.083 0.550 405 HD3 ARG 55 HD3 ARG 55 -9.899 0.732 -1.163 406 HE ARG 55 HE ARG 55 -12.121 -0.327 -0.703 407 HH11 ARG 55 HH11 ARG 55 -10.959 2.411 1.247 408 HH12 ARG 55 HH12 ARG 55 -12.514 2.915 1.744 409 HH21 ARG 55 HH21 ARG 55 -14.218 0.337 -0.079 410 HH22 ARG 55 HH22 ARG 55 -14.412 1.669 1.018 411 H HIS 56 H HIS 56 -10.012 0.142 4.028 412 HA HIS 56 HA HIS 56 -9.420 2.770 3.086 413 HB2 HIS 56 HB2 HIS 56 -11.418 2.289 4.352 414 HB3 HIS 56 HB3 HIS 56 -10.481 1.630 5.702 415 HD1 HIS 56 HD1 HIS 56 -11.141 5.062 4.025 416 HD2 HIS 56 HD2 HIS 56 -9.758 3.270 7.589 417 HE1 HIS 56 HE1 HIS 56 -10.874 6.943 5.713 418 H ALA 57 H ALA 57 -7.822 0.722 5.624 419 HA ALA 57 HA ALA 57 -6.264 2.850 6.704 420 HB1 ALA 57 HB1 ALA 57 -5.163 1.132 7.919 421 HB2 ALA 57 HB2 ALA 57 -6.864 0.661 7.826 422 HB3 ALA 57 HB3 ALA 57 -5.663 -0.131 6.773 423 H ILE 58 H ILE 58 -5.545 0.337 4.175 424 HA ILE 58 HA ILE 58 -2.798 1.141 3.883 425 HB ILE 58 HB ILE 58 -3.284 -0.966 3.067 426 HG12 ILE 58 HG12 ILE 58 -3.240 0.861 0.604 427 HG13 ILE 58 HG13 ILE 58 -1.837 0.335 1.534 428 HG21 ILE 58 HG21 ILE 58 -5.562 0.004 1.376 429 HG22 ILE 58 HG22 ILE 58 -4.985 -1.660 1.479 430 HG23 ILE 58 HG23 ILE 58 -5.696 -0.931 2.892 431 HD11 ILE 58 HD11 ILE 58 -1.661 -1.191 -0.140 432 HD12 ILE 58 HD12 ILE 58 -2.935 -2.086 0.710 433 HD13 ILE 58 HD13 ILE 58 -3.358 -1.014 -0.617 434 H TRP 59 H TRP 59 -5.765 2.009 2.160 435 HA TRP 59 HA TRP 59 -4.506 3.768 0.346 436 HB2 TRP 59 HB2 TRP 59 -6.904 2.702 0.342 437 HB3 TRP 59 HB3 TRP 59 -7.382 4.171 1.187 438 HD1 TRP 59 HD1 TRP 59 -5.437 3.107 -1.957 439 HE1 TRP 59 HE1 TRP 59 -5.666 4.807 -3.805 440 HE3 TRP 59 HE3 TRP 59 -8.163 6.489 0.594 441 HZ2 TRP 59 HZ2 TRP 59 -6.824 7.493 -4.080 442 HZ3 TRP 59 HZ3 TRP 59 -8.797 8.688 -0.432 443 HH2 TRP 59 HH2 TRP 59 -8.087 9.208 -2.765 444 H LYS 60 H LYS 60 -6.354 4.588 3.337 445 HA LYS 60 HA LYS 60 -5.801 7.333 3.294 446 HB2 LYS 60 HB2 LYS 60 -7.474 6.219 4.733 447 HB3 LYS 60 HB3 LYS 60 -6.164 5.436 5.645 448 HG2 LYS 60 HG2 LYS 60 -5.392 7.646 6.453 449 HG3 LYS 60 HG3 LYS 60 -6.628 8.428 5.447 450 HD2 LYS 60 HD2 LYS 60 -7.390 8.342 7.750 451 HD3 LYS 60 HD3 LYS 60 -8.402 7.309 6.736 452 HE2 LYS 60 HE2 LYS 60 -6.888 5.340 7.495 453 HE3 LYS 60 HE3 LYS 60 -6.175 6.463 8.643 454 HZ1 LYS 60 HZ1 LYS 60 -8.560 6.793 9.424 455 HZ2 LYS 60 HZ2 LYS 60 -7.859 5.350 9.787 456 HZ3 LYS 60 HZ3 LYS 60 -8.957 5.495 8.550 457 H GLY 61 H GLY 61 -3.877 4.646 4.802 458 HA2 GLY 61 HA2 GLY 61 -1.994 6.180 6.139 459 HA3 GLY 61 HA3 GLY 61 -1.696 4.577 5.436 460 H ILE 62 H ILE 62 -1.824 4.979 2.735 461 HA ILE 62 HA ILE 62 0.693 6.350 2.331 462 HB ILE 62 HB ILE 62 -0.312 4.235 1.375 463 HG12 ILE 62 HG12 ILE 62 1.961 4.797 0.980 464 HG13 ILE 62 HG13 ILE 62 1.263 4.250 -0.531 465 HG21 ILE 62 HG21 ILE 62 -1.252 6.038 -0.849 466 HG22 ILE 62 HG22 ILE 62 -1.053 4.290 -0.948 467 HG23 ILE 62 HG23 ILE 62 -2.242 4.952 0.166 468 HD11 ILE 62 HD11 ILE 62 2.643 6.071 -1.076 469 HD12 ILE 62 HD12 ILE 62 0.994 6.720 -1.172 470 HD13 ILE 62 HD13 ILE 62 2.030 7.074 0.236 471 H LEU 63 H LEU 63 -2.718 7.100 1.467 472 HA LEU 63 HA LEU 63 -1.962 9.377 -0.128 473 HB2 LEU 63 HB2 LEU 63 -4.505 8.461 1.190 474 HB3 LEU 63 HB3 LEU 63 -4.381 10.161 0.812 475 HG LEU 63 HG LEU 63 -5.506 8.903 -0.946 476 HD11 LEU 63 HD11 LEU 63 -4.417 9.900 -2.841 477 HD12 LEU 63 HD12 LEU 63 -2.881 10.025 -1.987 478 HD13 LEU 63 HD13 LEU 63 -4.258 11.012 -1.455 479 HD21 LEU 63 HD21 LEU 63 -4.299 7.443 -2.498 480 HD22 LEU 63 HD22 LEU 63 -4.268 6.765 -0.863 481 HD23 LEU 63 HD23 LEU 63 -2.828 7.578 -1.533 482 H ASP 64 H ASP 64 -2.337 8.855 3.299 483 HA ASP 64 HA ASP 64 -2.155 11.736 3.958 484 HB2 ASP 64 HB2 ASP 64 -2.222 9.256 5.672 485 HB3 ASP 64 HB3 ASP 64 -1.596 10.753 6.322 486 H HIS 65 H HIS 65 0.051 9.032 3.637 487 HA HIS 65 HA HIS 65 2.382 10.234 4.774 488 HB2 HIS 65 HB2 HIS 65 2.331 7.813 4.351 489 HB3 HIS 65 HB3 HIS 65 2.122 8.080 2.627 490 HD1 HIS 65 HD1 HIS 65 4.807 9.687 4.930 491 HD2 HIS 65 HD2 HIS 65 4.300 7.316 1.478 492 HE1 HIS 65 HE1 HIS 65 7.149 9.232 4.015 493 H ARG 66 H ARG 66 1.373 9.851 1.338 494 HA ARG 66 HA ARG 66 3.405 11.613 0.378 495 HB2 ARG 66 HB2 ARG 66 2.257 11.555 -1.762 496 HB3 ARG 66 HB3 ARG 66 2.291 9.950 -1.026 497 HG2 ARG 66 HG2 ARG 66 0.113 9.907 -1.629 498 HG3 ARG 66 HG3 ARG 66 -0.080 10.681 -0.096 499 HD2 ARG 66 HD2 ARG 66 -1.398 12.000 -1.414 500 HD3 ARG 66 HD3 ARG 66 0.100 12.944 -1.432 501 HE ARG 66 HE ARG 66 0.474 11.397 -3.600 502 HH11 ARG 66 HH11 ARG 66 -2.287 13.394 -2.661 503 HH12 ARG 66 HH12 ARG 66 -2.977 13.459 -4.259 504 HH21 ARG 66 HH21 ARG 66 -0.458 11.407 -5.696 505 HH22 ARG 66 HH22 ARG 66 -1.860 12.353 -6.028 506 H GLN 67 H GLN 67 0.136 12.288 1.755 507 HA GLN 67 HA GLN 67 0.073 14.966 0.679 508 HB2 GLN 67 HB2 GLN 67 -1.953 13.893 1.436 509 HB3 GLN 67 HB3 GLN 67 -1.266 13.602 3.038 510 HG2 GLN 67 HG2 GLN 67 -2.848 15.334 3.202 511 HG3 GLN 67 HG3 GLN 67 -1.259 16.018 3.489 512 HE21 GLN 67 HE21 GLN 67 -0.387 17.552 1.876 513 HE22 GLN 67 HE22 GLN 67 -1.502 18.296 0.734 514 H LEU 68 H LEU 68 1.633 13.467 3.533 515 HA LEU 68 HA LEU 68 2.449 16.136 4.510 516 HB2 LEU 68 HB2 LEU 68 2.712 13.353 5.669 517 HB3 LEU 68 HB3 LEU 68 3.218 14.840 6.480 518 HG LEU 68 HG LEU 68 0.331 14.259 5.640 519 HD11 LEU 68 HD11 LEU 68 1.090 12.686 7.355 520 HD12 LEU 68 HD12 LEU 68 -0.059 13.850 8.031 521 HD13 LEU 68 HD13 LEU 68 1.682 14.040 8.349 522 HD21 LEU 68 HD21 LEU 68 -0.261 16.096 7.135 523 HD22 LEU 68 HD22 LEU 68 0.774 16.668 5.829 524 HD23 LEU 68 HD23 LEU 68 1.459 16.417 7.456 525 H HIS 69 H HIS 69 3.959 13.498 2.667 526 HA HIS 69 HA HIS 69 6.601 14.780 2.945 527 HB2 HIS 69 HB2 HIS 69 5.679 11.906 3.066 528 HB3 HIS 69 HB3 HIS 69 7.135 12.287 2.211 529 HD1 HIS 69 HD1 HIS 69 6.016 11.568 5.674 530 HD2 HIS 69 HD2 HIS 69 9.105 13.691 3.725 531 HE1 HIS 69 HE1 HIS 69 7.910 11.840 7.358 532 H ASP 70 H ASP 70 6.396 16.062 1.229 533 HA ASP 70 HA ASP 70 5.089 15.589 -1.226 534 HB2 ASP 70 HB2 ASP 70 7.086 17.537 -0.147 535 HB3 ASP 70 HB3 ASP 70 7.087 17.333 -1.888 Start of MODEL 5 1 H1 GLY 1 H GLY 1 19.245 -18.562 5.519 2 HA2 GLY 1 HA2 GLY 1 16.660 -17.192 5.028 3 HA3 GLY 1 HA3 GLY 1 18.200 -16.402 5.374 4 HA PRO 2 HA PRO 2 18.414 -17.882 0.854 5 HB2 PRO 2 HB2 PRO 2 16.200 -18.679 -0.458 6 HB3 PRO 2 HB3 PRO 2 17.054 -19.767 0.671 7 HG2 PRO 2 HG2 PRO 2 14.543 -18.144 1.168 8 HG3 PRO 2 HG3 PRO 2 14.885 -19.839 1.627 9 HD2 PRO 2 HD2 PRO 2 15.186 -17.630 3.323 10 HD3 PRO 2 HD3 PRO 2 16.049 -19.180 3.516 11 H LEU 3 H LEU 3 15.591 -15.956 1.863 12 HA LEU 3 HA LEU 3 15.965 -14.114 -0.467 13 HB2 LEU 3 HB2 LEU 3 13.472 -15.166 0.918 14 HB3 LEU 3 HB3 LEU 3 13.498 -13.539 0.263 15 HG LEU 3 HG LEU 3 14.272 -14.509 -1.952 16 HD11 LEU 3 HD11 LEU 3 14.936 -16.767 -1.367 17 HD12 LEU 3 HD12 LEU 3 13.521 -16.881 -2.396 18 HD13 LEU 3 HD13 LEU 3 13.340 -17.104 -0.652 19 HD21 LEU 3 HD21 LEU 3 11.523 -15.172 -0.872 20 HD22 LEU 3 HD22 LEU 3 11.924 -15.110 -2.591 21 HD23 LEU 3 HD23 LEU 3 12.029 -13.641 -1.620 22 H GLY 4 H GLY 4 15.624 -11.846 0.003 23 HA2 GLY 4 HA2 GLY 4 15.037 -10.663 2.444 24 HA3 GLY 4 HA3 GLY 4 16.767 -11.030 2.511 25 H SER 5 H SER 5 14.616 -9.923 -0.208 26 HA SER 5 HA SER 5 16.666 -8.025 -1.087 27 HB2 SER 5 HB2 SER 5 13.833 -8.684 -2.040 28 HB3 SER 5 HB3 SER 5 14.932 -7.542 -2.846 29 HG SER 5 HG SER 5 16.361 -9.144 -3.240 30 H THR 6 H THR 6 16.712 -5.863 -0.530 31 HA THR 6 HA THR 6 14.599 -4.830 1.243 32 HB THR 6 HB THR 6 16.289 -3.110 1.761 33 HG1 THR 6 HG1 THR 6 18.396 -3.401 0.965 34 HG21 THR 6 HG21 THR 6 16.204 -5.378 2.911 35 HG22 THR 6 HG22 THR 6 17.764 -4.541 3.003 36 HG23 THR 6 HG23 THR 6 17.536 -5.890 1.872 37 H ASP 7 H ASP 7 13.979 -5.129 -1.615 38 HA ASP 7 HA ASP 7 14.213 -2.598 -2.959 39 HB2 ASP 7 HB2 ASP 7 13.806 -4.907 -4.006 40 HB3 ASP 7 HB3 ASP 7 12.135 -4.761 -3.455 41 H CYS 8 H CYS 8 12.416 -1.105 -3.486 42 HA CYS 8 HA CYS 8 10.817 -0.561 -1.135 43 HB2 CYS 8 HB2 CYS 8 9.733 1.125 -2.987 44 HB3 CYS 8 HB3 CYS 8 11.148 1.500 -2.021 45 HG CYS 8 HG CYS 8 11.074 0.157 -5.063 46 H SER 9 H SER 9 8.804 -1.348 -0.672 47 HA SER 9 HA SER 9 6.807 -1.902 -2.658 48 HB2 SER 9 HB2 SER 9 8.422 -4.168 -1.419 49 HB3 SER 9 HB3 SER 9 6.753 -4.401 -1.956 50 HG SER 9 HG SER 9 8.630 -3.302 -3.729 51 H ILE 10 H ILE 10 4.839 -2.753 -1.577 52 HA ILE 10 HA ILE 10 4.081 -1.421 0.707 53 HB ILE 10 HB ILE 10 2.978 -4.058 -0.330 54 HG12 ILE 10 HG12 ILE 10 2.963 -2.243 -1.976 55 HG13 ILE 10 HG13 ILE 10 1.344 -2.767 -1.536 56 HG21 ILE 10 HG21 ILE 10 1.739 -2.188 1.659 57 HG22 ILE 10 HG22 ILE 10 0.808 -3.381 0.715 58 HG23 ILE 10 HG23 ILE 10 2.068 -3.919 1.820 59 HD11 ILE 10 HD11 ILE 10 1.214 -0.769 0.010 60 HD12 ILE 10 HD12 ILE 10 2.789 -0.232 -0.645 61 HD13 ILE 10 HD13 ILE 10 1.384 -0.408 -1.703 62 H VAL 11 H VAL 11 5.754 -4.455 0.532 63 HA VAL 11 HA VAL 11 5.209 -5.543 3.064 64 HB VAL 11 HB VAL 11 7.497 -6.426 3.077 65 HG11 VAL 11 HG11 VAL 11 6.152 -6.695 0.350 66 HG12 VAL 11 HG12 VAL 11 7.181 -7.892 1.153 67 HG13 VAL 11 HG13 VAL 11 5.595 -7.497 1.836 68 HG21 VAL 11 HG21 VAL 11 7.962 -4.753 0.593 69 HG22 VAL 11 HG22 VAL 11 8.952 -4.848 2.070 70 HG23 VAL 11 HG23 VAL 11 8.891 -6.211 0.969 71 H SER 12 H SER 12 7.686 -3.057 2.381 72 HA SER 12 HA SER 12 8.528 -2.813 5.084 73 HB2 SER 12 HB2 SER 12 9.686 -2.129 2.881 74 HB3 SER 12 HB3 SER 12 8.676 -0.675 2.925 75 HG SER 12 HG SER 12 10.511 -1.620 4.876 76 H PHE 13 H PHE 13 6.127 -1.089 3.140 77 HA PHE 13 HA PHE 13 5.530 0.985 5.031 78 HB2 PHE 13 HB2 PHE 13 5.009 1.197 2.681 79 HB3 PHE 13 HB3 PHE 13 4.025 -0.253 2.706 80 HD1 PHE 13 HD1 PHE 13 2.083 0.633 1.755 81 HD2 PHE 13 HD2 PHE 13 3.785 2.546 5.231 82 HE1 PHE 13 HE1 PHE 13 0.033 2.019 2.017 83 HE2 PHE 13 HE2 PHE 13 1.731 3.906 5.477 84 HZ PHE 13 HZ PHE 13 -0.180 3.543 3.911 85 H PHE 14 H PHE 14 3.993 -2.156 4.352 86 HA PHE 14 HA PHE 14 1.982 -2.010 6.354 87 HB2 PHE 14 HB2 PHE 14 3.226 -4.179 4.657 88 HB3 PHE 14 HB3 PHE 14 2.267 -4.633 6.036 89 HD1 PHE 14 HD1 PHE 14 0.779 -5.778 4.516 90 HD2 PHE 14 HD2 PHE 14 1.231 -1.499 4.317 91 HE1 PHE 14 HE1 PHE 14 -1.339 -5.599 3.225 92 HE2 PHE 14 HE2 PHE 14 -0.857 -1.324 3.085 93 HZ PHE 14 HZ PHE 14 -2.194 -3.388 2.552 94 H ALA 15 H ALA 15 5.297 -3.411 6.427 95 HA ALA 15 HA ALA 15 5.132 -4.464 9.036 96 HB1 ALA 15 HB1 ALA 15 7.596 -4.267 9.076 97 HB2 ALA 15 HB2 ALA 15 7.024 -4.921 7.530 98 HB3 ALA 15 HB3 ALA 15 7.550 -3.225 7.638 99 H ARG 16 H ARG 16 5.944 -1.107 7.949 100 HA ARG 16 HA ARG 16 6.437 -0.088 10.595 101 HB2 ARG 16 HB2 ARG 16 5.554 1.310 8.024 102 HB3 ARG 16 HB3 ARG 16 5.796 2.158 9.552 103 HG2 ARG 16 HG2 ARG 16 8.101 1.264 9.663 104 HG3 ARG 16 HG3 ARG 16 7.900 0.558 8.056 105 HD2 ARG 16 HD2 ARG 16 7.560 2.772 7.080 106 HD3 ARG 16 HD3 ARG 16 7.558 3.510 8.706 107 HE ARG 16 HE ARG 16 9.958 2.180 8.597 108 HH11 ARG 16 HH11 ARG 16 8.522 4.862 6.768 109 HH12 ARG 16 HH12 ARG 16 10.024 5.393 6.106 110 HH21 ARG 16 HH21 ARG 16 11.862 2.966 8.036 111 HH22 ARG 16 HH22 ARG 16 12.101 4.383 7.058 112 H LEU 17 H LEU 17 3.460 0.001 8.598 113 HA LEU 17 HA LEU 17 1.831 1.295 10.546 114 HB2 LEU 17 HB2 LEU 17 1.018 -0.769 8.448 115 HB3 LEU 17 HB3 LEU 17 -0.112 0.187 9.383 116 HG LEU 17 HG LEU 17 1.881 1.275 7.394 117 HD11 LEU 17 HD11 LEU 17 -0.235 1.834 6.076 118 HD12 LEU 17 HD12 LEU 17 -1.110 0.781 7.222 119 HD13 LEU 17 HD13 LEU 17 0.174 0.116 6.205 120 HD21 LEU 17 HD21 LEU 17 1.523 2.994 9.037 121 HD22 LEU 17 HD22 LEU 17 -0.206 2.683 9.101 122 HD23 LEU 17 HD23 LEU 17 0.528 3.422 7.652 123 H GLY 18 H GLY 18 2.528 -2.168 10.060 124 HA2 GLY 18 HA2 GLY 18 2.738 -3.612 11.958 125 HA3 GLY 18 HA3 GLY 18 1.328 -2.832 12.708 126 H CYS 19 H CYS 19 1.040 -3.240 9.269 127 HA CYS 19 HA CYS 19 -1.095 -5.231 9.727 128 HB2 CYS 19 HB2 CYS 19 0.009 -4.057 7.126 129 HB3 CYS 19 HB3 CYS 19 -1.533 -4.898 7.335 130 HG CYS 19 HG CYS 19 -0.912 -2.426 9.349 131 H SER 20 H SER 20 -0.102 -7.249 10.297 132 HA SER 20 HA SER 20 2.335 -8.007 8.885 133 HB2 SER 20 HB2 SER 20 2.015 -8.320 11.339 134 HB3 SER 20 HB3 SER 20 0.879 -9.631 10.974 135 HG SER 20 HG SER 20 2.792 -10.597 11.116 136 H SER 21 H SER 21 -0.640 -10.078 9.467 137 HA SER 21 HA SER 21 -0.162 -11.857 7.453 138 HB2 SER 21 HB2 SER 21 -2.967 -10.933 8.119 139 HB3 SER 21 HB3 SER 21 -2.386 -12.570 7.790 140 HG SER 21 HG SER 21 -2.075 -12.784 9.824 141 H CYS 22 H CYS 22 -1.561 -8.644 7.117 142 HA CYS 22 HA CYS 22 -2.685 -8.955 4.556 143 HB2 CYS 22 HB2 CYS 22 -1.457 -6.399 5.643 144 HB3 CYS 22 HB3 CYS 22 -2.873 -6.565 4.582 145 HG CYS 22 HG CYS 22 -4.482 -7.559 6.267 146 H LEU 23 H LEU 23 0.664 -8.440 5.570 147 HA LEU 23 HA LEU 23 1.579 -7.589 2.971 148 HB2 LEU 23 HB2 LEU 23 3.612 -7.295 3.886 149 HB3 LEU 23 HB3 LEU 23 2.634 -7.181 5.324 150 HG LEU 23 HG LEU 23 3.249 -9.788 5.563 151 HD11 LEU 23 HD11 LEU 23 5.618 -8.709 3.971 152 HD12 LEU 23 HD12 LEU 23 4.492 -9.955 3.394 153 HD13 LEU 23 HD13 LEU 23 5.521 -10.277 4.790 154 HD21 LEU 23 HD21 LEU 23 5.185 -9.123 6.930 155 HD22 LEU 23 HD22 LEU 23 3.824 -8.020 7.171 156 HD23 LEU 23 HD23 LEU 23 5.191 -7.521 6.159 157 H ASP 24 H ASP 24 1.254 -10.691 4.728 158 HA ASP 24 HA ASP 24 2.660 -12.324 2.846 159 HB2 ASP 24 HB2 ASP 24 2.099 -13.276 4.973 160 HB3 ASP 24 HB3 ASP 24 0.387 -12.956 4.759 161 H TYR 25 H TYR 25 -0.753 -11.319 3.106 162 HA TYR 25 HA TYR 25 -1.636 -12.682 0.792 163 HB2 TYR 25 HB2 TYR 25 -2.729 -10.028 1.734 164 HB3 TYR 25 HB3 TYR 25 -3.573 -11.253 0.802 165 HD1 TYR 25 HD1 TYR 25 -4.450 -9.857 3.374 166 HD2 TYR 25 HD2 TYR 25 -2.458 -13.638 2.733 167 HE1 TYR 25 HE1 TYR 25 -5.314 -10.684 5.545 168 HE2 TYR 25 HE2 TYR 25 -3.294 -14.447 4.894 169 HH TYR 25 HH TYR 25 -5.655 -12.678 6.803 170 H PHE 26 H PHE 26 -0.464 -9.265 1.123 171 HA PHE 26 HA PHE 26 -0.603 -8.552 -1.582 172 HB2 PHE 26 HB2 PHE 26 0.627 -7.604 0.925 173 HB3 PHE 26 HB3 PHE 26 1.613 -7.234 -0.431 174 HD1 PHE 26 HD1 PHE 26 0.685 -5.885 -2.349 175 HD2 PHE 26 HD2 PHE 26 -1.555 -6.564 1.244 176 HE1 PHE 26 HE1 PHE 26 -0.787 -3.990 -2.939 177 HE2 PHE 26 HE2 PHE 26 -3.097 -4.772 0.641 178 HZ PHE 26 HZ PHE 26 -2.708 -3.416 -1.444 179 H THR 27 H THR 27 2.131 -10.210 0.102 180 HA THR 27 HA THR 27 3.891 -9.982 -2.177 181 HB THR 27 HB THR 27 5.341 -11.535 -0.903 182 HG1 THR 27 HG1 THR 27 4.598 -12.004 1.262 183 HG21 THR 27 HG21 THR 27 4.213 -9.159 0.638 184 HG22 THR 27 HG22 THR 27 5.676 -9.253 -0.371 185 HG23 THR 27 HG23 THR 27 5.593 -10.101 1.181 186 H THR 28 H THR 28 1.699 -12.513 -0.968 187 HA THR 28 HA THR 28 2.581 -14.526 -2.834 188 HB THR 28 HB THR 28 -0.159 -14.338 -1.553 189 HG1 THR 28 HG1 THR 28 1.331 -14.076 0.096 190 HG21 THR 28 HG21 THR 28 1.638 -16.728 -2.244 191 HG22 THR 28 HG22 THR 28 0.247 -16.201 -3.215 192 HG23 THR 28 HG23 THR 28 -0.004 -16.801 -1.563 193 H GLN 29 H GLN 29 0.007 -12.024 -2.961 194 HA GLN 29 HA GLN 29 -0.913 -12.811 -5.557 195 HB2 GLN 29 HB2 GLN 29 -1.189 -10.234 -3.979 196 HB3 GLN 29 HB3 GLN 29 -2.066 -10.589 -5.484 197 HG2 GLN 29 HG2 GLN 29 -3.171 -12.512 -4.495 198 HG3 GLN 29 HG3 GLN 29 -2.231 -12.338 -3.015 199 HE21 GLN 29 HE21 GLN 29 -2.584 -10.583 -1.680 200 HE22 GLN 29 HE22 GLN 29 -4.089 -9.661 -1.611 201 H GLY 30 H GLY 30 1.910 -11.182 -4.640 202 HA2 GLY 30 HA2 GLY 30 3.686 -10.299 -5.793 203 HA3 GLY 30 HA3 GLY 30 2.974 -10.954 -7.267 204 H LEU 31 H LEU 31 1.236 -8.687 -5.282 205 HA LEU 31 HA LEU 31 1.602 -6.517 -7.291 206 HB2 LEU 31 HB2 LEU 31 -0.756 -5.880 -6.701 207 HB3 LEU 31 HB3 LEU 31 -0.490 -7.312 -7.679 208 HG LEU 31 HG LEU 31 -0.771 -8.722 -5.618 209 HD11 LEU 31 HD11 LEU 31 -1.676 -6.119 -4.362 210 HD12 LEU 31 HD12 LEU 31 -0.365 -7.204 -3.825 211 HD13 LEU 31 HD13 LEU 31 -2.046 -7.734 -3.710 212 HD21 LEU 31 HD21 LEU 31 -2.497 -8.560 -7.219 213 HD22 LEU 31 HD22 LEU 31 -3.036 -6.997 -6.554 214 HD23 LEU 31 HD23 LEU 31 -3.232 -8.507 -5.607 215 H THR 32 H THR 32 3.054 -7.063 -4.650 216 HA THR 32 HA THR 32 2.182 -4.677 -3.100 217 HB THR 32 HB THR 32 2.889 -6.434 -1.749 218 HG1 THR 32 HG1 THR 32 5.286 -5.955 -1.353 219 HG21 THR 32 HG21 THR 32 4.901 -7.794 -1.945 220 HG22 THR 32 HG22 THR 32 5.308 -6.983 -3.467 221 HG23 THR 32 HG23 THR 32 3.862 -8.017 -3.341 222 H THR 33 H THR 33 2.661 -2.668 -3.933 223 HA THR 33 HA THR 33 5.386 -2.100 -4.427 224 HB THR 33 HB THR 33 5.157 -2.490 -6.644 225 HG1 THR 33 HG1 THR 33 4.617 -0.804 -7.817 226 HG21 THR 33 HG21 THR 33 3.087 -3.773 -6.663 227 HG22 THR 33 HG22 THR 33 2.945 -2.613 -7.922 228 HG23 THR 33 HG23 THR 33 2.070 -2.343 -6.400 229 H ILE 34 H ILE 34 5.655 0.179 -4.225 230 HA ILE 34 HA ILE 34 3.550 1.431 -2.589 231 HB ILE 34 HB ILE 34 5.982 3.007 -3.402 232 HG12 ILE 34 HG12 ILE 34 6.904 0.805 -2.578 233 HG13 ILE 34 HG13 ILE 34 7.392 2.262 -1.745 234 HG21 ILE 34 HG21 ILE 34 5.577 3.945 -1.124 235 HG22 ILE 34 HG22 ILE 34 4.189 4.131 -2.192 236 HG23 ILE 34 HG23 ILE 34 4.188 2.871 -0.928 237 HD11 ILE 34 HD11 ILE 34 5.287 0.336 -0.701 238 HD12 ILE 34 HD12 ILE 34 6.992 0.458 -0.172 239 HD13 ILE 34 HD13 ILE 34 5.893 1.784 0.145 240 H TYR 35 H TYR 35 5.257 2.394 -5.541 241 HA TYR 35 HA TYR 35 3.875 4.717 -6.184 242 HB2 TYR 35 HB2 TYR 35 5.087 2.751 -8.138 243 HB3 TYR 35 HB3 TYR 35 4.994 4.500 -8.295 244 HD1 TYR 35 HD1 TYR 35 6.977 1.692 -7.176 245 HD2 TYR 35 HD2 TYR 35 6.338 5.906 -6.510 246 HE1 TYR 35 HE1 TYR 35 9.162 1.832 -6.045 247 HE2 TYR 35 HE2 TYR 35 8.532 6.057 -5.389 248 HH TYR 35 HH TYR 35 10.713 3.237 -4.988 249 H GLN 36 H GLN 36 2.834 1.503 -6.425 250 HA GLN 36 HA GLN 36 0.890 2.044 -8.619 251 HB2 GLN 36 HB2 GLN 36 1.655 -0.408 -7.050 252 HB3 GLN 36 HB3 GLN 36 0.203 -0.389 -8.034 253 HG2 GLN 36 HG2 GLN 36 2.930 0.349 -9.148 254 HG3 GLN 36 HG3 GLN 36 2.232 -1.261 -9.272 255 HE21 GLN 36 HE21 GLN 36 2.626 1.484 -11.093 256 HE22 GLN 36 HE22 GLN 36 1.348 1.172 -12.246 257 H ILE 37 H ILE 37 0.757 1.266 -5.047 258 HA ILE 37 HA ILE 37 -2.085 1.581 -4.948 259 HB ILE 37 HB ILE 37 -1.802 1.891 -2.534 260 HG12 ILE 37 HG12 ILE 37 1.154 1.454 -2.866 261 HG13 ILE 37 HG13 ILE 37 0.472 3.073 -2.748 262 HG21 ILE 37 HG21 ILE 37 -2.018 -0.337 -3.589 263 HG22 ILE 37 HG22 ILE 37 -0.249 -0.459 -3.713 264 HG23 ILE 37 HG23 ILE 37 -1.038 -0.413 -2.128 265 HD11 ILE 37 HD11 ILE 37 -0.000 1.004 -0.619 266 HD12 ILE 37 HD12 ILE 37 1.329 2.191 -0.628 267 HD13 ILE 37 HD13 ILE 37 -0.365 2.721 -0.572 268 H GLU 38 H GLU 38 0.481 3.894 -5.118 269 HA GLU 38 HA GLU 38 -0.724 6.174 -3.965 270 HB2 GLU 38 HB2 GLU 38 1.693 5.628 -4.689 271 HB3 GLU 38 HB3 GLU 38 1.186 6.014 -6.336 272 HG2 GLU 38 HG2 GLU 38 0.543 8.311 -5.512 273 HG3 GLU 38 HG3 GLU 38 1.215 7.880 -3.924 274 H HIS 39 H HIS 39 -1.157 4.528 -7.048 275 HA HIS 39 HA HIS 39 -3.003 6.627 -8.100 276 HB2 HIS 39 HB2 HIS 39 -1.069 4.664 -9.343 277 HB3 HIS 39 HB3 HIS 39 -2.466 5.207 -10.250 278 HD1 HIS 39 HD1 HIS 39 -0.797 6.326 -11.987 279 HD2 HIS 39 HD2 HIS 39 -0.813 7.917 -8.081 280 HE1 HIS 39 HE1 HIS 39 0.363 8.613 -12.130 281 H TYR 40 H TYR 40 -2.826 3.263 -7.048 282 HA TYR 40 HA TYR 40 -5.243 2.438 -8.467 283 HB2 TYR 40 HB2 TYR 40 -3.618 1.150 -6.243 284 HB3 TYR 40 HB3 TYR 40 -5.135 0.507 -6.787 285 HD1 TYR 40 HD1 TYR 40 -1.928 -0.575 -6.907 286 HD2 TYR 40 HD2 TYR 40 -5.012 0.693 -9.747 287 HE1 TYR 40 HE1 TYR 40 -1.166 -2.185 -8.525 288 HE2 TYR 40 HE2 TYR 40 -4.078 -0.844 -11.397 289 HH TYR 40 HH TYR 40 -2.513 -2.625 -11.807 290 H SER 41 H SER 41 -6.962 3.724 -7.971 291 HA SER 41 HA SER 41 -7.382 4.828 -5.343 292 HB2 SER 41 HB2 SER 41 -9.384 4.599 -7.651 293 HB3 SER 41 HB3 SER 41 -9.350 5.801 -6.356 294 HG SER 41 HG SER 41 -8.517 6.609 -8.355 295 H MET 42 H MET 42 -9.643 4.489 -4.307 296 HA MET 42 HA MET 42 -9.775 2.037 -3.173 297 HB2 MET 42 HB2 MET 42 -11.840 2.651 -2.223 298 HB3 MET 42 HB3 MET 42 -10.908 4.137 -2.451 299 HG2 MET 42 HG2 MET 42 -12.267 4.589 -4.516 300 HG3 MET 42 HG3 MET 42 -13.241 3.165 -4.127 301 HE1 MET 42 HE1 MET 42 -15.851 5.768 -3.249 302 HE2 MET 42 HE2 MET 42 -14.782 5.568 -4.657 303 HE3 MET 42 HE3 MET 42 -15.532 4.146 -3.903 304 H ASP 43 H ASP 43 -11.431 2.801 -6.229 305 HA ASP 43 HA ASP 43 -13.194 0.640 -6.383 306 HB2 ASP 43 HB2 ASP 43 -11.576 1.997 -8.597 307 HB3 ASP 43 HB3 ASP 43 -13.003 0.991 -8.839 308 H ASP 44 H ASP 44 -9.777 0.857 -7.520 309 HA ASP 44 HA ASP 44 -9.654 -1.856 -8.443 310 HB2 ASP 44 HB2 ASP 44 -7.568 0.275 -7.857 311 HB3 ASP 44 HB3 ASP 44 -7.090 -1.400 -8.187 312 H LEU 45 H LEU 45 -8.694 -0.279 -5.426 313 HA LEU 45 HA LEU 45 -7.411 -2.525 -4.203 314 HB2 LEU 45 HB2 LEU 45 -9.000 -0.451 -2.642 315 HB3 LEU 45 HB3 LEU 45 -7.632 -1.396 -2.077 316 HG LEU 45 HG LEU 45 -7.553 0.794 -4.165 317 HD11 LEU 45 HD11 LEU 45 -8.008 1.612 -1.930 318 HD12 LEU 45 HD12 LEU 45 -6.423 2.094 -2.499 319 HD13 LEU 45 HD13 LEU 45 -6.581 0.767 -1.299 320 HD21 LEU 45 HD21 LEU 45 -5.122 0.656 -4.095 321 HD22 LEU 45 HD22 LEU 45 -5.814 -0.847 -4.674 322 HD23 LEU 45 HD23 LEU 45 -5.219 -0.760 -3.012 323 H ALA 46 H ALA 46 -10.817 -1.394 -4.079 324 HA ALA 46 HA ALA 46 -11.732 -3.498 -2.421 325 HB1 ALA 46 HB1 ALA 46 -13.943 -2.837 -3.103 326 HB2 ALA 46 HB2 ALA 46 -12.961 -1.395 -2.811 327 HB3 ALA 46 HB3 ALA 46 -13.296 -1.905 -4.482 328 H SER 47 H SER 47 -11.581 -3.246 -6.021 329 HA SER 47 HA SER 47 -12.797 -5.753 -6.489 330 HB2 SER 47 HB2 SER 47 -12.144 -3.717 -8.079 331 HB3 SER 47 HB3 SER 47 -10.696 -4.680 -8.341 332 HG SER 47 HG SER 47 -12.121 -5.314 -9.844 333 H LEU 48 H LEU 48 -9.532 -4.951 -5.520 334 HA LEU 48 HA LEU 48 -8.328 -7.524 -6.147 335 HB2 LEU 48 HB2 LEU 48 -7.449 -5.097 -4.575 336 HB3 LEU 48 HB3 LEU 48 -6.477 -6.555 -4.617 337 HG LEU 48 HG LEU 48 -7.406 -5.224 -7.195 338 HD11 LEU 48 HD11 LEU 48 -5.359 -3.980 -7.261 339 HD12 LEU 48 HD12 LEU 48 -4.791 -4.713 -5.745 340 HD13 LEU 48 HD13 LEU 48 -6.172 -3.574 -5.762 341 HD21 LEU 48 HD21 LEU 48 -5.278 -6.343 -8.012 342 HD22 LEU 48 HD22 LEU 48 -6.562 -7.470 -7.503 343 HD23 LEU 48 HD23 LEU 48 -5.195 -7.158 -6.437 344 H LYS 49 H LYS 49 -10.766 -7.034 -4.239 345 HA LYS 49 HA LYS 49 -11.839 -8.138 -2.666 346 HB2 LYS 49 HB2 LYS 49 -9.429 -9.962 -2.510 347 HB3 LYS 49 HB3 LYS 49 -10.955 -10.254 -1.722 348 HG2 LYS 49 HG2 LYS 49 -10.846 -9.796 -4.742 349 HG3 LYS 49 HG3 LYS 49 -10.460 -11.365 -4.086 350 HD2 LYS 49 HD2 LYS 49 -13.004 -10.062 -3.124 351 HD3 LYS 49 HD3 LYS 49 -12.948 -10.640 -4.785 352 HE2 LYS 49 HE2 LYS 49 -13.827 -12.408 -3.371 353 HE3 LYS 49 HE3 LYS 49 -12.295 -12.886 -4.095 354 HZ1 LYS 49 HZ1 LYS 49 -12.433 -13.488 -1.777 355 HZ2 LYS 49 HZ2 LYS 49 -12.598 -11.930 -1.315 356 HZ3 LYS 49 HZ3 LYS 49 -11.193 -12.475 -2.026 357 H ILE 50 H ILE 50 -9.420 -6.194 -2.148 358 HA ILE 50 HA ILE 50 -8.804 -6.396 0.677 359 HB ILE 50 HB ILE 50 -8.852 -3.848 -0.965 360 HG12 ILE 50 HG12 ILE 50 -7.551 -5.607 -2.257 361 HG13 ILE 50 HG13 ILE 50 -6.622 -4.222 -1.749 362 HG21 ILE 50 HG21 ILE 50 -7.091 -3.187 0.576 363 HG22 ILE 50 HG22 ILE 50 -8.533 -3.704 1.475 364 HG23 ILE 50 HG23 ILE 50 -7.142 -4.794 1.328 365 HD11 ILE 50 HD11 ILE 50 -6.649 -6.869 -0.249 366 HD12 ILE 50 HD12 ILE 50 -5.455 -6.423 -1.492 367 HD13 ILE 50 HD13 ILE 50 -5.552 -5.491 0.017 368 HA PRO 51 HA PRO 51 -13.128 -5.211 1.420 369 HB2 PRO 51 HB2 PRO 51 -13.180 -5.320 4.162 370 HB3 PRO 51 HB3 PRO 51 -13.232 -6.748 3.091 371 HG2 PRO 51 HG2 PRO 51 -10.860 -5.600 4.571 372 HG3 PRO 51 HG3 PRO 51 -11.336 -7.318 4.409 373 HD2 PRO 51 HD2 PRO 51 -9.409 -6.119 2.841 374 HD3 PRO 51 HD3 PRO 51 -10.423 -7.476 2.270 375 H GLU 52 H GLU 52 -14.135 -3.266 1.997 376 HA GLU 52 HA GLU 52 -12.680 -0.912 1.987 377 HB2 GLU 52 HB2 GLU 52 -14.757 0.208 2.640 378 HB3 GLU 52 HB3 GLU 52 -14.969 -0.996 1.368 379 HG2 GLU 52 HG2 GLU 52 -15.808 -2.615 3.154 380 HG3 GLU 52 HG3 GLU 52 -15.720 -1.292 4.313 381 H GLN 53 H GLN 53 -13.731 -2.832 4.697 382 HA GLN 53 HA GLN 53 -13.149 -1.207 6.891 383 HB2 GLN 53 HB2 GLN 53 -12.931 -4.233 6.611 384 HB3 GLN 53 HB3 GLN 53 -13.083 -3.364 8.134 385 HG2 GLN 53 HG2 GLN 53 -15.228 -3.329 5.951 386 HG3 GLN 53 HG3 GLN 53 -15.188 -4.467 7.279 387 HE21 GLN 53 HE21 GLN 53 -15.120 -3.482 9.546 388 HE22 GLN 53 HE22 GLN 53 -16.078 -2.029 9.812 389 H PHE 54 H PHE 54 -10.870 -2.598 4.723 390 HA PHE 54 HA PHE 54 -8.616 -2.083 6.624 391 HB2 PHE 54 HB2 PHE 54 -8.788 -4.478 6.357 392 HB3 PHE 54 HB3 PHE 54 -8.906 -4.295 4.592 393 HD1 PHE 54 HD1 PHE 54 -7.068 -4.086 3.235 394 HD2 PHE 54 HD2 PHE 54 -6.564 -3.828 7.490 395 HE1 PHE 54 HE1 PHE 54 -4.582 -4.151 2.939 396 HE2 PHE 54 HE2 PHE 54 -4.110 -3.875 7.214 397 HZ PHE 54 HZ PHE 54 -3.103 -4.014 4.961 398 H ARG 55 H ARG 55 -9.727 -2.090 3.187 399 HA ARG 55 HA ARG 55 -7.437 -1.039 2.064 400 HB2 ARG 55 HB2 ARG 55 -8.613 -0.748 0.165 401 HB3 ARG 55 HB3 ARG 55 -9.629 -1.875 1.025 402 HG2 ARG 55 HG2 ARG 55 -11.230 -0.384 0.263 403 HG3 ARG 55 HG3 ARG 55 -10.886 0.325 1.850 404 HD2 ARG 55 HD2 ARG 55 -9.046 1.678 0.459 405 HD3 ARG 55 HD3 ARG 55 -10.062 1.230 -0.909 406 HE ARG 55 HE ARG 55 -11.906 2.288 0.784 407 HH11 ARG 55 HH11 ARG 55 -8.724 3.574 -0.361 408 HH12 ARG 55 HH12 ARG 55 -9.376 5.176 -0.481 409 HH21 ARG 55 HH21 ARG 55 -12.562 4.464 0.724 410 HH22 ARG 55 HH22 ARG 55 -11.496 5.662 0.048 411 H HIS 56 H HIS 56 -9.860 0.745 4.026 412 HA HIS 56 HA HIS 56 -8.909 3.370 3.355 413 HB2 HIS 56 HB2 HIS 56 -10.246 2.238 5.852 414 HB3 HIS 56 HB3 HIS 56 -9.759 3.916 5.726 415 HD1 HIS 56 HD1 HIS 56 -12.507 1.601 4.600 416 HD2 HIS 56 HD2 HIS 56 -11.251 5.597 4.355 417 HE1 HIS 56 HE1 HIS 56 -14.522 2.941 3.809 418 H ALA 57 H ALA 57 -7.621 0.845 5.566 419 HA ALA 57 HA ALA 57 -5.907 2.618 7.056 420 HB1 ALA 57 HB1 ALA 57 -4.825 0.612 7.851 421 HB2 ALA 57 HB2 ALA 57 -6.570 0.317 7.856 422 HB3 ALA 57 HB3 ALA 57 -5.555 -0.375 6.576 423 H ILE 58 H ILE 58 -5.267 0.346 4.308 424 HA ILE 58 HA ILE 58 -2.535 1.147 4.063 425 HB ILE 58 HB ILE 58 -3.051 -0.877 3.124 426 HG12 ILE 58 HG12 ILE 58 -2.950 1.023 0.723 427 HG13 ILE 58 HG13 ILE 58 -1.581 0.580 1.752 428 HG21 ILE 58 HG21 ILE 58 -5.281 0.186 1.387 429 HG22 ILE 58 HG22 ILE 58 -4.710 -1.481 1.508 430 HG23 ILE 58 HG23 ILE 58 -5.479 -0.759 2.897 431 HD11 ILE 58 HD11 ILE 58 -2.288 -1.903 1.016 432 HD12 ILE 58 HD12 ILE 58 -2.933 -1.010 -0.369 433 HD13 ILE 58 HD13 ILE 58 -1.216 -0.890 0.049 434 H TRP 59 H TRP 59 -5.433 2.170 2.228 435 HA TRP 59 HA TRP 59 -4.073 4.031 0.635 436 HB2 TRP 59 HB2 TRP 59 -6.458 3.016 0.431 437 HB3 TRP 59 HB3 TRP 59 -6.963 4.432 1.338 438 HD1 TRP 59 HD1 TRP 59 -4.881 3.551 -1.821 439 HE1 TRP 59 HE1 TRP 59 -5.295 5.261 -3.642 440 HE3 TRP 59 HE3 TRP 59 -7.763 6.855 0.838 441 HZ2 TRP 59 HZ2 TRP 59 -6.820 7.712 -3.971 442 HZ3 TRP 59 HZ3 TRP 59 -8.665 8.875 -0.262 443 HH2 TRP 59 HH2 TRP 59 -8.196 9.327 -2.669 444 H LYS 60 H LYS 60 -5.865 4.699 3.774 445 HA LYS 60 HA LYS 60 -5.256 7.468 3.662 446 HB2 LYS 60 HB2 LYS 60 -6.861 6.320 5.239 447 HB3 LYS 60 HB3 LYS 60 -5.495 5.809 6.224 448 HG2 LYS 60 HG2 LYS 60 -5.546 8.701 5.517 449 HG3 LYS 60 HG3 LYS 60 -6.930 8.217 6.466 450 HD2 LYS 60 HD2 LYS 60 -4.059 7.666 7.284 451 HD3 LYS 60 HD3 LYS 60 -4.888 9.155 7.694 452 HE2 LYS 60 HE2 LYS 60 -5.721 6.370 8.579 453 HE3 LYS 60 HE3 LYS 60 -4.878 7.569 9.563 454 HZ1 LYS 60 HZ1 LYS 60 -6.921 8.987 9.126 455 HZ2 LYS 60 HZ2 LYS 60 -7.087 7.731 10.169 456 HZ3 LYS 60 HZ3 LYS 60 -7.650 7.575 8.628 457 H GLY 61 H GLY 61 -3.351 4.685 4.854 458 HA2 GLY 61 HA2 GLY 61 -1.391 6.248 6.244 459 HA3 GLY 61 HA3 GLY 61 -1.092 4.655 5.538 460 H ILE 62 H ILE 62 -1.370 5.043 2.864 461 HA ILE 62 HA ILE 62 1.038 6.484 2.267 462 HB ILE 62 HB ILE 62 0.105 4.472 1.185 463 HG12 ILE 62 HG12 ILE 62 1.165 4.994 -1.094 464 HG13 ILE 62 HG13 ILE 62 1.268 6.672 -0.583 465 HG21 ILE 62 HG21 ILE 62 -1.399 6.377 -0.632 466 HG22 ILE 62 HG22 ILE 62 -1.139 4.678 -0.977 467 HG23 ILE 62 HG23 ILE 62 -2.090 5.128 0.441 468 HD11 ILE 62 HD11 ILE 62 2.811 6.023 1.255 469 HD12 ILE 62 HD12 ILE 62 2.608 4.310 0.803 470 HD13 ILE 62 HD13 ILE 62 3.395 5.453 -0.305 471 H LEU 63 H LEU 63 -2.378 7.270 1.576 472 HA LEU 63 HA LEU 63 -1.832 9.635 0.085 473 HB2 LEU 63 HB2 LEU 63 -4.193 8.581 1.624 474 HB3 LEU 63 HB3 LEU 63 -4.152 10.296 1.361 475 HG LEU 63 HG LEU 63 -5.431 9.017 -0.332 476 HD11 LEU 63 HD11 LEU 63 -4.524 11.325 -0.717 477 HD12 LEU 63 HD12 LEU 63 -4.778 10.366 -2.187 478 HD13 LEU 63 HD13 LEU 63 -3.137 10.586 -1.542 479 HD21 LEU 63 HD21 LEU 63 -4.277 7.901 -2.184 480 HD22 LEU 63 HD22 LEU 63 -3.933 7.069 -0.654 481 HD23 LEU 63 HD23 LEU 63 -2.718 8.132 -1.405 482 H ASP 64 H ASP 64 -1.896 8.920 3.505 483 HA ASP 64 HA ASP 64 -1.837 11.748 4.324 484 HB2 ASP 64 HB2 ASP 64 -2.675 9.975 5.822 485 HB3 ASP 64 HB3 ASP 64 -1.041 9.302 5.952 486 H HIS 65 H HIS 65 0.561 9.244 3.770 487 HA HIS 65 HA HIS 65 2.866 10.658 4.700 488 HB2 HIS 65 HB2 HIS 65 2.866 8.240 4.490 489 HB3 HIS 65 HB3 HIS 65 2.563 8.339 2.766 490 HD1 HIS 65 HD1 HIS 65 5.385 10.273 4.707 491 HD2 HIS 65 HD2 HIS 65 4.659 7.592 1.527 492 HE1 HIS 65 HE1 HIS 65 7.554 10.069 3.420 493 H ARG 66 H ARG 66 1.550 10.103 1.453 494 HA ARG 66 HA ARG 66 3.558 11.765 0.200 495 HB2 ARG 66 HB2 ARG 66 2.473 11.409 -1.872 496 HB3 ARG 66 HB3 ARG 66 2.436 9.912 -0.969 497 HG2 ARG 66 HG2 ARG 66 0.312 9.894 -1.809 498 HG3 ARG 66 HG3 ARG 66 0.030 10.660 -0.250 499 HD2 ARG 66 HD2 ARG 66 -1.226 11.812 -1.938 500 HD3 ARG 66 HD3 ARG 66 0.045 12.885 -1.337 501 HE ARG 66 HE ARG 66 1.216 11.676 -3.507 502 HH11 ARG 66 HH11 ARG 66 -1.827 13.515 -3.220 503 HH12 ARG 66 HH12 ARG 66 -1.682 14.213 -4.786 504 HH21 ARG 66 HH21 ARG 66 1.236 12.340 -5.620 505 HH22 ARG 66 HH22 ARG 66 0.068 13.460 -6.256 506 H GLN 67 H GLN 67 0.405 12.434 1.769 507 HA GLN 67 HA GLN 67 0.351 15.099 0.564 508 HB2 GLN 67 HB2 GLN 67 -1.699 13.914 1.133 509 HB3 GLN 67 HB3 GLN 67 -1.189 13.783 2.837 510 HG2 GLN 67 HG2 GLN 67 -2.877 15.488 2.472 511 HG3 GLN 67 HG3 GLN 67 -1.379 16.133 3.141 512 HE21 GLN 67 HE21 GLN 67 -0.382 17.763 2.044 513 HE22 GLN 67 HE22 GLN 67 -0.700 18.172 0.375 514 H LEU 68 H LEU 68 1.864 13.568 3.376 515 HA LEU 68 HA LEU 68 2.334 16.156 4.653 516 HB2 LEU 68 HB2 LEU 68 2.692 15.050 6.590 517 HB3 LEU 68 HB3 LEU 68 1.590 13.985 5.760 518 HG LEU 68 HG LEU 68 3.691 12.601 5.102 519 HD11 LEU 68 HD11 LEU 68 4.746 14.199 7.440 520 HD12 LEU 68 HD12 LEU 68 5.488 14.088 5.835 521 HD13 LEU 68 HD13 LEU 68 5.461 12.668 6.865 522 HD21 LEU 68 HD21 LEU 68 3.538 11.422 7.300 523 HD22 LEU 68 HD22 LEU 68 1.945 11.841 6.652 524 HD23 LEU 68 HD23 LEU 68 2.649 12.820 7.950 525 H HIS 69 H HIS 69 4.159 13.907 2.658 526 HA HIS 69 HA HIS 69 6.498 15.705 2.897 527 HB2 HIS 69 HB2 HIS 69 6.832 13.483 4.112 528 HB3 HIS 69 HB3 HIS 69 6.712 12.694 2.544 529 HD1 HIS 69 HD1 HIS 69 8.586 14.359 0.687 530 HD2 HIS 69 HD2 HIS 69 9.271 13.686 4.807 531 HE1 HIS 69 HE1 HIS 69 11.073 14.629 1.056 532 H ASP 70 H ASP 70 6.744 16.609 1.072 533 HA ASP 70 HA ASP 70 5.381 15.958 -1.359 534 HB2 ASP 70 HB2 ASP 70 7.814 17.768 -1.073 535 HB3 ASP 70 HB3 ASP 70 6.552 17.827 -2.310 Start of MODEL 6 1 H1 GLY 1 H GLY 1 9.685 -24.638 -2.522 2 HA2 GLY 1 HA2 GLY 1 8.098 -22.907 -3.287 3 HA3 GLY 1 HA3 GLY 1 8.751 -22.554 -1.671 4 HA PRO 2 HA PRO 2 9.521 -19.000 -4.690 5 HB2 PRO 2 HB2 PRO 2 8.328 -16.999 -3.195 6 HB3 PRO 2 HB3 PRO 2 7.460 -18.012 -4.380 7 HG2 PRO 2 HG2 PRO 2 7.647 -18.405 -1.378 8 HG3 PRO 2 HG3 PRO 2 6.178 -18.428 -2.412 9 HD2 PRO 2 HD2 PRO 2 7.393 -20.719 -1.666 10 HD3 PRO 2 HD3 PRO 2 6.755 -20.523 -3.328 11 H LEU 3 H LEU 3 10.933 -17.061 -4.276 12 HA LEU 3 HA LEU 3 12.211 -16.761 -1.713 13 HB2 LEU 3 HB2 LEU 3 13.459 -18.753 -2.434 14 HB3 LEU 3 HB3 LEU 3 13.793 -18.001 -4.002 15 HG LEU 3 HG LEU 3 15.081 -16.184 -2.770 16 HD11 LEU 3 HD11 LEU 3 14.618 -18.042 -0.399 17 HD12 LEU 3 HD12 LEU 3 14.106 -16.353 -0.534 18 HD13 LEU 3 HD13 LEU 3 15.823 -16.742 -0.436 19 HD21 LEU 3 HD21 LEU 3 17.057 -17.523 -2.367 20 HD22 LEU 3 HD22 LEU 3 16.219 -18.079 -3.819 21 HD23 LEU 3 HD23 LEU 3 16.089 -19.005 -2.288 22 H GLY 4 H GLY 4 12.347 -14.601 -1.684 23 HA2 GLY 4 HA2 GLY 4 13.918 -12.939 -3.033 24 HA3 GLY 4 HA3 GLY 4 12.563 -13.070 -4.177 25 H SER 5 H SER 5 13.452 -10.767 -2.652 26 HA SER 5 HA SER 5 10.889 -9.919 -1.553 27 HB2 SER 5 HB2 SER 5 12.111 -9.009 0.500 28 HB3 SER 5 HB3 SER 5 11.830 -10.754 0.469 29 HG SER 5 HG SER 5 13.993 -9.909 1.065 30 H THR 6 H THR 6 11.150 -7.468 -1.009 31 HA THR 6 HA THR 6 13.106 -6.134 -2.754 32 HB THR 6 HB THR 6 10.902 -4.648 -3.202 33 HG1 THR 6 HG1 THR 6 9.893 -7.291 -3.435 34 HG21 THR 6 HG21 THR 6 11.635 -7.111 -4.835 35 HG22 THR 6 HG22 THR 6 12.378 -5.500 -4.954 36 HG23 THR 6 HG23 THR 6 10.676 -5.724 -5.398 37 H ASP 7 H ASP 7 13.951 -4.413 -1.769 38 HA ASP 7 HA ASP 7 13.353 -3.948 1.048 39 HB2 ASP 7 HB2 ASP 7 15.372 -2.991 -0.953 40 HB3 ASP 7 HB3 ASP 7 15.009 -1.923 0.406 41 H CYS 8 H CYS 8 13.383 -1.659 -1.791 42 HA CYS 8 HA CYS 8 11.397 0.011 -0.420 43 HB2 CYS 8 HB2 CYS 8 13.202 1.012 -1.846 44 HB3 CYS 8 HB3 CYS 8 12.488 0.242 -3.277 45 HG CYS 8 HG CYS 8 11.933 2.918 -2.983 46 H SER 9 H SER 9 9.557 -1.321 -0.189 47 HA SER 9 HA SER 9 7.834 -1.704 -2.438 48 HB2 SER 9 HB2 SER 9 9.119 -3.672 -2.814 49 HB3 SER 9 HB3 SER 9 9.168 -4.083 -1.103 50 HG SER 9 HG SER 9 7.446 -4.810 -2.980 51 H ILE 10 H ILE 10 5.693 -2.605 -1.508 52 HA ILE 10 HA ILE 10 5.131 -1.106 0.856 53 HB ILE 10 HB ILE 10 3.467 -2.930 -0.855 54 HG12 ILE 10 HG12 ILE 10 3.969 -0.707 -1.609 55 HG13 ILE 10 HG13 ILE 10 2.243 -1.016 -1.375 56 HG21 ILE 10 HG21 ILE 10 2.601 -3.353 1.378 57 HG22 ILE 10 HG22 ILE 10 2.434 -1.625 1.657 58 HG23 ILE 10 HG23 ILE 10 1.446 -2.427 0.405 59 HD11 ILE 10 HD11 ILE 10 2.989 1.280 -0.653 60 HD12 ILE 10 HD12 ILE 10 2.289 0.376 0.691 61 HD13 ILE 10 HD13 ILE 10 4.044 0.595 0.550 62 H VAL 11 H VAL 11 6.409 -4.201 0.534 63 HA VAL 11 HA VAL 11 5.438 -5.405 2.951 64 HB VAL 11 HB VAL 11 7.829 -6.426 3.118 65 HG11 VAL 11 HG11 VAL 11 7.259 -8.023 1.382 66 HG12 VAL 11 HG12 VAL 11 5.812 -7.531 2.254 67 HG13 VAL 11 HG13 VAL 11 6.129 -6.865 0.633 68 HG21 VAL 11 HG21 VAL 11 8.031 -5.273 0.306 69 HG22 VAL 11 HG22 VAL 11 9.096 -4.853 1.673 70 HG23 VAL 11 HG23 VAL 11 9.087 -6.488 1.005 71 H SER 12 H SER 12 8.298 -3.273 2.569 72 HA SER 12 HA SER 12 8.933 -2.965 5.270 73 HB2 SER 12 HB2 SER 12 9.251 -1.024 2.939 74 HB3 SER 12 HB3 SER 12 10.256 -1.087 4.413 75 HG SER 12 HG SER 12 10.875 -2.281 2.257 76 H PHE 13 H PHE 13 6.654 -1.072 3.189 77 HA PHE 13 HA PHE 13 6.068 0.917 5.124 78 HB2 PHE 13 HB2 PHE 13 5.527 0.952 2.651 79 HB3 PHE 13 HB3 PHE 13 4.246 -0.212 2.951 80 HD1 PHE 13 HD1 PHE 13 2.073 0.706 3.064 81 HD2 PHE 13 HD2 PHE 13 5.433 3.058 4.358 82 HE1 PHE 13 HE1 PHE 13 0.562 2.684 3.320 83 HE2 PHE 13 HE2 PHE 13 3.958 5.059 4.519 84 HZ PHE 13 HZ PHE 13 1.539 4.861 4.059 85 H PHE 14 H PHE 14 4.536 -2.252 4.409 86 HA PHE 14 HA PHE 14 2.470 -2.001 6.346 87 HB2 PHE 14 HB2 PHE 14 3.568 -4.247 4.680 88 HB3 PHE 14 HB3 PHE 14 2.587 -4.644 6.079 89 HD1 PHE 14 HD1 PHE 14 0.623 -5.480 4.959 90 HD2 PHE 14 HD2 PHE 14 2.105 -1.539 4.011 91 HE1 PHE 14 HE1 PHE 14 -1.434 -4.988 3.705 92 HE2 PHE 14 HE2 PHE 14 0.094 -1.024 2.852 93 HZ PHE 14 HZ PHE 14 -1.735 -2.725 2.618 94 H ALA 15 H ALA 15 5.754 -3.373 6.542 95 HA ALA 15 HA ALA 15 5.529 -4.463 9.123 96 HB1 ALA 15 HB1 ALA 15 7.457 -4.795 7.581 97 HB2 ALA 15 HB2 ALA 15 7.972 -3.120 7.879 98 HB3 ALA 15 HB3 ALA 15 7.954 -4.301 9.201 99 H ARG 16 H ARG 16 6.327 -1.084 8.050 100 HA ARG 16 HA ARG 16 6.547 -0.108 10.770 101 HB2 ARG 16 HB2 ARG 16 6.137 1.329 8.098 102 HB3 ARG 16 HB3 ARG 16 6.391 2.133 9.651 103 HG2 ARG 16 HG2 ARG 16 8.519 0.695 9.872 104 HG3 ARG 16 HG3 ARG 16 8.318 0.296 8.171 105 HD2 ARG 16 HD2 ARG 16 9.827 2.139 8.231 106 HD3 ARG 16 HD3 ARG 16 8.289 2.770 7.650 107 HE ARG 16 HE ARG 16 7.908 3.862 9.731 108 HH11 ARG 16 HH11 ARG 16 10.984 2.111 9.836 109 HH12 ARG 16 HH12 ARG 16 11.610 3.037 11.173 110 HH21 ARG 16 HH21 ARG 16 8.703 5.058 11.406 111 HH22 ARG 16 HH22 ARG 16 10.348 4.869 11.974 112 H LEU 17 H LEU 17 3.891 -0.332 8.513 113 HA LEU 17 HA LEU 17 2.071 1.402 10.022 114 HB2 LEU 17 HB2 LEU 17 1.464 -0.821 8.019 115 HB3 LEU 17 HB3 LEU 17 0.222 0.126 8.827 116 HG LEU 17 HG LEU 17 2.229 1.164 6.827 117 HD11 LEU 17 HD11 LEU 17 -0.798 0.826 6.764 118 HD12 LEU 17 HD12 LEU 17 0.394 -0.154 5.875 119 HD13 LEU 17 HD13 LEU 17 0.175 1.560 5.485 120 HD21 LEU 17 HD21 LEU 17 0.938 3.313 6.966 121 HD22 LEU 17 HD22 LEU 17 1.855 2.962 8.435 122 HD23 LEU 17 HD23 LEU 17 0.098 2.679 8.398 123 H GLY 18 H GLY 18 2.847 -2.092 10.095 124 HA2 GLY 18 HA2 GLY 18 2.685 -3.316 12.108 125 HA3 GLY 18 HA3 GLY 18 1.233 -2.409 12.555 126 H CYS 19 H CYS 19 1.246 -3.057 9.238 127 HA CYS 19 HA CYS 19 -1.029 -4.803 9.503 128 HB2 CYS 19 HB2 CYS 19 0.590 -3.954 7.077 129 HB3 CYS 19 HB3 CYS 19 -0.965 -4.796 7.001 130 HG CYS 19 HG CYS 19 -0.277 -1.884 8.420 131 H SER 20 H SER 20 -0.673 -6.872 10.166 132 HA SER 20 HA SER 20 1.804 -8.300 9.621 133 HB2 SER 20 HB2 SER 20 -0.719 -9.198 11.074 134 HB3 SER 20 HB3 SER 20 0.905 -9.924 11.168 135 HG SER 20 HG SER 20 -0.068 -7.444 12.110 136 H SER 21 H SER 21 -1.084 -10.286 9.552 137 HA SER 21 HA SER 21 -0.507 -11.757 7.353 138 HB2 SER 21 HB2 SER 21 -2.987 -12.302 7.398 139 HB3 SER 21 HB3 SER 21 -2.136 -12.449 8.929 140 HG SER 21 HG SER 21 -2.954 -10.029 9.073 141 H CYS 22 H CYS 22 -2.019 -8.546 7.189 142 HA CYS 22 HA CYS 22 -3.139 -8.903 4.589 143 HB2 CYS 22 HB2 CYS 22 -2.211 -6.368 5.998 144 HB3 CYS 22 HB3 CYS 22 -3.156 -6.411 4.494 145 HG CYS 22 HG CYS 22 -4.683 -5.877 6.679 146 H LEU 23 H LEU 23 0.196 -8.216 5.650 147 HA LEU 23 HA LEU 23 1.134 -7.408 3.054 148 HB2 LEU 23 HB2 LEU 23 3.165 -7.109 4.049 149 HB3 LEU 23 HB3 LEU 23 2.145 -7.000 5.461 150 HG LEU 23 HG LEU 23 2.715 -9.566 5.776 151 HD11 LEU 23 HD11 LEU 23 5.086 -8.618 4.104 152 HD12 LEU 23 HD12 LEU 23 3.966 -9.903 3.616 153 HD13 LEU 23 HD13 LEU 23 4.992 -10.128 5.014 154 HD21 LEU 23 HD21 LEU 23 4.674 -8.950 7.091 155 HD22 LEU 23 HD22 LEU 23 3.379 -7.779 7.309 156 HD23 LEU 23 HD23 LEU 23 4.765 -7.377 6.270 157 H ASP 24 H ASP 24 0.835 -10.436 4.904 158 HA ASP 24 HA ASP 24 2.347 -12.126 3.251 159 HB2 ASP 24 HB2 ASP 24 1.396 -12.632 5.539 160 HB3 ASP 24 HB3 ASP 24 -0.163 -12.935 4.755 161 H TYR 25 H TYR 25 -1.108 -11.234 3.135 162 HA TYR 25 HA TYR 25 -1.682 -12.799 0.798 163 HB2 TYR 25 HB2 TYR 25 -3.056 -10.266 1.757 164 HB3 TYR 25 HB3 TYR 25 -3.702 -11.393 0.572 165 HD1 TYR 25 HD1 TYR 25 -4.531 -10.385 3.605 166 HD2 TYR 25 HD2 TYR 25 -3.110 -14.062 1.828 167 HE1 TYR 25 HE1 TYR 25 -5.530 -11.668 5.456 168 HE2 TYR 25 HE2 TYR 25 -4.212 -15.338 3.618 169 HH TYR 25 HH TYR 25 -5.682 -13.811 6.457 170 H PHE 26 H PHE 26 -0.827 -9.241 1.082 171 HA PHE 26 HA PHE 26 -0.875 -8.662 -1.641 172 HB2 PHE 26 HB2 PHE 26 0.339 -7.603 0.828 173 HB3 PHE 26 HB3 PHE 26 1.315 -7.265 -0.553 174 HD1 PHE 26 HD1 PHE 26 0.533 -5.699 -2.365 175 HD2 PHE 26 HD2 PHE 26 -1.900 -6.635 1.065 176 HE1 PHE 26 HE1 PHE 26 -0.815 -3.723 -2.810 177 HE2 PHE 26 HE2 PHE 26 -3.342 -4.710 0.541 178 HZ PHE 26 HZ PHE 26 -2.751 -3.187 -1.363 179 H THR 27 H THR 27 1.899 -9.899 0.256 180 HA THR 27 HA THR 27 3.785 -9.910 -1.890 181 HB THR 27 HB THR 27 5.051 -11.468 -0.354 182 HG1 THR 27 HG1 THR 27 2.919 -10.871 1.436 183 HG21 THR 27 HG21 THR 27 5.342 -9.033 -0.198 184 HG22 THR 27 HG22 THR 27 5.418 -9.771 1.405 185 HG23 THR 27 HG23 THR 27 3.960 -8.902 0.922 186 H THR 28 H THR 28 1.704 -12.530 -0.553 187 HA THR 28 HA THR 28 2.609 -14.456 -2.432 188 HB THR 28 HB THR 28 -0.088 -14.431 -1.029 189 HG1 THR 28 HG1 THR 28 1.477 -14.131 0.509 190 HG21 THR 28 HG21 THR 28 0.209 -16.262 -2.700 191 HG22 THR 28 HG22 THR 28 0.220 -16.902 -1.054 192 HG23 THR 28 HG23 THR 28 1.746 -16.705 -1.946 193 H GLN 29 H GLN 29 0.047 -11.899 -2.730 194 HA GLN 29 HA GLN 29 -1.080 -12.958 -5.155 195 HB2 GLN 29 HB2 GLN 29 -1.130 -10.277 -3.750 196 HB3 GLN 29 HB3 GLN 29 -1.989 -10.591 -5.254 197 HG2 GLN 29 HG2 GLN 29 -2.503 -12.482 -2.960 198 HG3 GLN 29 HG3 GLN 29 -3.200 -10.868 -2.914 199 HE21 GLN 29 HE21 GLN 29 -5.412 -11.714 -3.115 200 HE22 GLN 29 HE22 GLN 29 -5.944 -12.363 -4.659 201 H GLY 30 H GLY 30 1.724 -10.963 -4.347 202 HA2 GLY 30 HA2 GLY 30 3.523 -10.393 -5.653 203 HA3 GLY 30 HA3 GLY 30 2.760 -11.176 -7.043 204 H LEU 31 H LEU 31 1.309 -8.586 -5.094 205 HA LEU 31 HA LEU 31 1.653 -6.622 -7.335 206 HB2 LEU 31 HB2 LEU 31 -0.785 -5.957 -6.750 207 HB3 LEU 31 HB3 LEU 31 -0.477 -7.355 -7.757 208 HG LEU 31 HG LEU 31 -0.847 -8.866 -5.896 209 HD11 LEU 31 HD11 LEU 31 -1.863 -7.979 -3.745 210 HD12 LEU 31 HD12 LEU 31 -1.307 -6.370 -4.236 211 HD13 LEU 31 HD13 LEU 31 -0.135 -7.654 -3.931 212 HD21 LEU 31 HD21 LEU 31 -3.192 -8.578 -5.650 213 HD22 LEU 31 HD22 LEU 31 -2.703 -8.169 -7.303 214 HD23 LEU 31 HD23 LEU 31 -3.068 -6.854 -6.181 215 H THR 32 H THR 32 2.959 -6.913 -4.630 216 HA THR 32 HA THR 32 1.956 -4.523 -3.174 217 HB THR 32 HB THR 32 2.578 -6.260 -1.770 218 HG1 THR 32 HG1 THR 32 4.048 -5.498 -0.551 219 HG21 THR 32 HG21 THR 32 3.676 -7.878 -3.159 220 HG22 THR 32 HG22 THR 32 4.691 -7.528 -1.770 221 HG23 THR 32 HG23 THR 32 5.100 -6.820 -3.341 222 H THR 33 H THR 33 2.508 -2.443 -3.891 223 HA THR 33 HA THR 33 5.263 -1.982 -4.372 224 HB THR 33 HB THR 33 5.006 -2.405 -6.610 225 HG1 THR 33 HG1 THR 33 5.259 -0.318 -6.744 226 HG21 THR 33 HG21 THR 33 2.785 -2.358 -7.892 227 HG22 THR 33 HG22 THR 33 1.938 -2.129 -6.361 228 HG23 THR 33 HG23 THR 33 2.905 -3.586 -6.656 229 H ILE 34 H ILE 34 5.639 0.301 -4.269 230 HA ILE 34 HA ILE 34 3.645 1.660 -2.599 231 HB ILE 34 HB ILE 34 5.973 3.268 -3.506 232 HG12 ILE 34 HG12 ILE 34 7.085 1.027 -3.050 233 HG13 ILE 34 HG13 ILE 34 7.686 2.487 -2.303 234 HG21 ILE 34 HG21 ILE 34 4.694 2.841 -0.773 235 HG22 ILE 34 HG22 ILE 34 5.863 4.091 -1.218 236 HG23 ILE 34 HG23 ILE 34 4.264 4.093 -1.953 237 HD11 ILE 34 HD11 ILE 34 5.953 0.457 -0.878 238 HD12 ILE 34 HD12 ILE 34 7.724 0.637 -0.740 239 HD13 ILE 34 HD13 ILE 34 6.672 1.909 -0.146 240 H TYR 35 H TYR 35 5.308 2.479 -5.604 241 HA TYR 35 HA TYR 35 3.991 4.819 -6.260 242 HB2 TYR 35 HB2 TYR 35 4.936 2.853 -8.354 243 HB3 TYR 35 HB3 TYR 35 5.069 4.612 -8.330 244 HD1 TYR 35 HD1 TYR 35 7.056 1.892 -8.479 245 HD2 TYR 35 HD2 TYR 35 6.441 5.240 -5.815 246 HE1 TYR 35 HE1 TYR 35 9.346 1.630 -7.614 247 HE2 TYR 35 HE2 TYR 35 8.713 4.939 -4.907 248 HH TYR 35 HH TYR 35 11.080 2.801 -6.406 249 H GLN 36 H GLN 36 2.883 1.603 -6.491 250 HA GLN 36 HA GLN 36 0.880 2.258 -8.587 251 HB2 GLN 36 HB2 GLN 36 1.554 -0.263 -7.079 252 HB3 GLN 36 HB3 GLN 36 0.125 -0.174 -8.084 253 HG2 GLN 36 HG2 GLN 36 2.953 0.213 -9.070 254 HG3 GLN 36 HG3 GLN 36 1.898 -1.167 -9.404 255 HE21 GLN 36 HE21 GLN 36 3.021 -0.067 -11.561 256 HE22 GLN 36 HE22 GLN 36 1.905 0.941 -12.458 257 H ILE 37 H ILE 37 0.735 1.227 -5.108 258 HA ILE 37 HA ILE 37 -2.077 1.687 -4.979 259 HB ILE 37 HB ILE 37 -1.844 1.712 -2.593 260 HG12 ILE 37 HG12 ILE 37 1.181 1.537 -2.963 261 HG13 ILE 37 HG13 ILE 37 0.329 3.027 -2.551 262 HG21 ILE 37 HG21 ILE 37 -0.952 -0.577 -2.322 263 HG22 ILE 37 HG22 ILE 37 -1.894 -0.432 -3.822 264 HG23 ILE 37 HG23 ILE 37 -0.124 -0.462 -3.878 265 HD11 ILE 37 HD11 ILE 37 1.031 2.187 -0.525 266 HD12 ILE 37 HD12 ILE 37 -0.693 1.798 -0.608 267 HD13 ILE 37 HD13 ILE 37 0.514 0.524 -0.930 268 H GLU 38 H GLU 38 0.628 3.904 -4.995 269 HA GLU 38 HA GLU 38 -0.626 6.100 -3.717 270 HB2 GLU 38 HB2 GLU 38 1.827 5.739 -4.188 271 HB3 GLU 38 HB3 GLU 38 1.525 6.147 -5.883 272 HG2 GLU 38 HG2 GLU 38 0.799 8.399 -5.229 273 HG3 GLU 38 HG3 GLU 38 0.873 7.961 -3.518 274 H HIS 39 H HIS 39 -1.072 4.678 -6.934 275 HA HIS 39 HA HIS 39 -2.750 7.042 -7.638 276 HB2 HIS 39 HB2 HIS 39 -0.709 6.520 -9.091 277 HB3 HIS 39 HB3 HIS 39 -1.557 5.060 -9.610 278 HD1 HIS 39 HD1 HIS 39 -1.929 5.992 -12.196 279 HD2 HIS 39 HD2 HIS 39 -3.390 8.399 -9.063 280 HE1 HIS 39 HE1 HIS 39 -3.269 7.810 -13.280 281 H TYR 40 H TYR 40 -2.728 3.610 -7.167 282 HA TYR 40 HA TYR 40 -5.240 2.986 -8.424 283 HB2 TYR 40 HB2 TYR 40 -3.493 1.544 -6.405 284 HB3 TYR 40 HB3 TYR 40 -5.101 0.967 -6.735 285 HD1 TYR 40 HD1 TYR 40 -1.921 -0.184 -7.440 286 HD2 TYR 40 HD2 TYR 40 -5.507 1.188 -9.558 287 HE1 TYR 40 HE1 TYR 40 -1.340 -1.501 -9.404 288 HE2 TYR 40 HE2 TYR 40 -4.877 -0.148 -11.476 289 HH TYR 40 HH TYR 40 -3.176 -1.382 -12.483 290 H SER 41 H SER 41 -7.073 4.049 -7.814 291 HA SER 41 HA SER 41 -7.472 5.100 -5.164 292 HB2 SER 41 HB2 SER 41 -9.326 4.633 -7.558 293 HB3 SER 41 HB3 SER 41 -9.853 5.433 -6.071 294 HG SER 41 HG SER 41 -9.262 6.956 -7.508 295 H MET 42 H MET 42 -9.528 4.629 -3.946 296 HA MET 42 HA MET 42 -9.470 2.134 -2.762 297 HB2 MET 42 HB2 MET 42 -11.535 2.756 -1.654 298 HB3 MET 42 HB3 MET 42 -10.412 4.111 -1.686 299 HG2 MET 42 HG2 MET 42 -12.776 3.762 -3.587 300 HG3 MET 42 HG3 MET 42 -12.807 4.713 -2.106 301 HE1 MET 42 HE1 MET 42 -13.863 6.601 -3.701 302 HE2 MET 42 HE2 MET 42 -12.993 7.338 -5.065 303 HE3 MET 42 HE3 MET 42 -13.562 5.658 -5.182 304 H ASP 43 H ASP 43 -11.171 3.063 -5.666 305 HA ASP 43 HA ASP 43 -13.139 0.985 -5.840 306 HB2 ASP 43 HB2 ASP 43 -11.615 2.660 -7.875 307 HB3 ASP 43 HB3 ASP 43 -12.736 1.403 -8.380 308 H ASP 44 H ASP 44 -9.793 1.345 -7.100 309 HA ASP 44 HA ASP 44 -9.654 -1.215 -8.327 310 HB2 ASP 44 HB2 ASP 44 -7.590 0.851 -7.553 311 HB3 ASP 44 HB3 ASP 44 -7.086 -0.782 -7.995 312 H LEU 45 H LEU 45 -8.664 0.007 -5.137 313 HA LEU 45 HA LEU 45 -7.567 -2.386 -4.074 314 HB2 LEU 45 HB2 LEU 45 -9.034 -0.045 -2.805 315 HB3 LEU 45 HB3 LEU 45 -8.623 -1.462 -1.859 316 HG LEU 45 HG LEU 45 -6.271 -1.189 -2.323 317 HD11 LEU 45 HD11 LEU 45 -6.947 1.447 -3.670 318 HD12 LEU 45 HD12 LEU 45 -6.326 0.015 -4.516 319 HD13 LEU 45 HD13 LEU 45 -5.331 0.857 -3.340 320 HD21 LEU 45 HD21 LEU 45 -7.626 1.294 -1.226 321 HD22 LEU 45 HD22 LEU 45 -5.938 0.834 -0.926 322 HD23 LEU 45 HD23 LEU 45 -7.236 -0.192 -0.331 323 H ALA 46 H ALA 46 -10.983 -1.251 -4.104 324 HA ALA 46 HA ALA 46 -12.047 -3.526 -2.749 325 HB1 ALA 46 HB1 ALA 46 -14.210 -2.759 -3.583 326 HB2 ALA 46 HB2 ALA 46 -13.249 -1.358 -3.058 327 HB3 ALA 46 HB3 ALA 46 -13.423 -1.721 -4.789 328 H SER 47 H SER 47 -11.632 -2.846 -6.284 329 HA SER 47 HA SER 47 -12.816 -5.276 -7.168 330 HB2 SER 47 HB2 SER 47 -11.872 -4.786 -9.289 331 HB3 SER 47 HB3 SER 47 -12.344 -3.259 -8.546 332 HG SER 47 HG SER 47 -9.961 -3.294 -7.824 333 H LEU 48 H LEU 48 -9.571 -4.562 -6.035 334 HA LEU 48 HA LEU 48 -8.423 -7.085 -6.830 335 HB2 LEU 48 HB2 LEU 48 -7.506 -4.769 -5.107 336 HB3 LEU 48 HB3 LEU 48 -6.535 -6.213 -5.315 337 HG LEU 48 HG LEU 48 -7.529 -4.619 -7.708 338 HD11 LEU 48 HD11 LEU 48 -4.849 -4.341 -6.292 339 HD12 LEU 48 HD12 LEU 48 -6.163 -3.142 -6.269 340 HD13 LEU 48 HD13 LEU 48 -5.350 -3.528 -7.791 341 HD21 LEU 48 HD21 LEU 48 -5.254 -6.630 -7.375 342 HD22 LEU 48 HD22 LEU 48 -5.626 -5.716 -8.853 343 HD23 LEU 48 HD23 LEU 48 -6.782 -6.900 -8.246 344 H LYS 49 H LYS 49 -10.840 -6.743 -4.843 345 HA LYS 49 HA LYS 49 -11.861 -7.983 -3.343 346 HB2 LYS 49 HB2 LYS 49 -9.554 -9.956 -3.278 347 HB3 LYS 49 HB3 LYS 49 -11.225 -10.184 -2.806 348 HG2 LYS 49 HG2 LYS 49 -11.249 -11.263 -4.750 349 HG3 LYS 49 HG3 LYS 49 -11.818 -9.696 -5.292 350 HD2 LYS 49 HD2 LYS 49 -9.700 -9.210 -6.348 351 HD3 LYS 49 HD3 LYS 49 -8.869 -10.501 -5.467 352 HE2 LYS 49 HE2 LYS 49 -10.916 -10.811 -7.700 353 HE3 LYS 49 HE3 LYS 49 -9.176 -11.034 -7.837 354 HZ1 LYS 49 HZ1 LYS 49 -11.050 -12.674 -6.262 355 HZ2 LYS 49 HZ2 LYS 49 -9.396 -12.855 -6.209 356 HZ3 LYS 49 HZ3 LYS 49 -10.205 -13.157 -7.583 357 H ILE 50 H ILE 50 -9.793 -5.862 -2.555 358 HA ILE 50 HA ILE 50 -8.844 -6.807 0.006 359 HB ILE 50 HB ILE 50 -8.954 -3.952 -1.012 360 HG12 ILE 50 HG12 ILE 50 -7.640 -5.435 -2.600 361 HG13 ILE 50 HG13 ILE 50 -6.692 -4.198 -1.812 362 HG21 ILE 50 HG21 ILE 50 -7.304 -5.365 1.086 363 HG22 ILE 50 HG22 ILE 50 -7.111 -3.656 0.633 364 HG23 ILE 50 HG23 ILE 50 -8.584 -4.237 1.433 365 HD11 ILE 50 HD11 ILE 50 -5.705 -5.863 -0.288 366 HD12 ILE 50 HD12 ILE 50 -6.773 -7.130 -0.957 367 HD13 ILE 50 HD13 ILE 50 -5.527 -6.360 -1.945 368 HA PRO 51 HA PRO 51 -12.821 -6.041 1.932 369 HB2 PRO 51 HB2 PRO 51 -12.154 -6.421 4.589 370 HB3 PRO 51 HB3 PRO 51 -12.387 -7.744 3.406 371 HG2 PRO 51 HG2 PRO 51 -9.790 -6.462 4.275 372 HG3 PRO 51 HG3 PRO 51 -10.170 -8.201 4.130 373 HD2 PRO 51 HD2 PRO 51 -8.855 -6.864 2.175 374 HD3 PRO 51 HD3 PRO 51 -10.060 -8.124 1.766 375 H GLU 52 H GLU 52 -13.792 -4.187 2.488 376 HA GLU 52 HA GLU 52 -12.764 -1.748 2.425 377 HB2 GLU 52 HB2 GLU 52 -14.753 -0.846 3.268 378 HB3 GLU 52 HB3 GLU 52 -15.164 -2.334 2.420 379 HG2 GLU 52 HG2 GLU 52 -15.359 -3.512 4.623 380 HG3 GLU 52 HG3 GLU 52 -14.964 -2.011 5.452 381 H GLN 53 H GLN 53 -13.155 -3.313 5.643 382 HA GLN 53 HA GLN 53 -12.367 -1.157 7.226 383 HB2 GLN 53 HB2 GLN 53 -12.162 -4.162 7.565 384 HB3 GLN 53 HB3 GLN 53 -11.591 -3.049 8.819 385 HG2 GLN 53 HG2 GLN 53 -13.879 -2.013 8.879 386 HG3 GLN 53 HG3 GLN 53 -14.435 -3.244 7.743 387 HE21 GLN 53 HE21 GLN 53 -15.523 -4.897 8.817 388 HE22 GLN 53 HE22 GLN 53 -15.089 -5.531 10.384 389 H PHE 54 H PHE 54 -10.281 -3.586 5.619 390 HA PHE 54 HA PHE 54 -7.844 -2.333 6.724 391 HB2 PHE 54 HB2 PHE 54 -7.691 -4.650 6.564 392 HB3 PHE 54 HB3 PHE 54 -8.561 -4.721 5.048 393 HD1 PHE 54 HD1 PHE 54 -7.394 -5.296 3.215 394 HD2 PHE 54 HD2 PHE 54 -5.376 -3.039 6.264 395 HE1 PHE 54 HE1 PHE 54 -5.255 -5.399 1.906 396 HE2 PHE 54 HE2 PHE 54 -3.302 -3.067 4.946 397 HZ PHE 54 HZ PHE 54 -3.264 -4.263 2.727 398 H ARG 55 H ARG 55 -9.406 -2.745 3.489 399 HA ARG 55 HA ARG 55 -7.489 -1.506 1.974 400 HB2 ARG 55 HB2 ARG 55 -8.882 -1.787 0.285 401 HB3 ARG 55 HB3 ARG 55 -9.897 -2.602 1.460 402 HG2 ARG 55 HG2 ARG 55 -11.121 -0.437 1.821 403 HG3 ARG 55 HG3 ARG 55 -10.197 0.278 0.485 404 HD2 ARG 55 HD2 ARG 55 -11.216 -1.189 -1.111 405 HD3 ARG 55 HD3 ARG 55 -11.847 -2.243 0.166 406 HE ARG 55 HE ARG 55 -12.731 0.573 0.204 407 HH11 ARG 55 HH11 ARG 55 -13.673 -2.804 -0.603 408 HH12 ARG 55 HH12 ARG 55 -15.372 -2.377 -0.524 409 HH21 ARG 55 HH21 ARG 55 -14.937 0.967 0.376 410 HH22 ARG 55 HH22 ARG 55 -16.073 -0.307 -0.037 411 H HIS 56 H HIS 56 -10.136 0.292 3.666 412 HA HIS 56 HA HIS 56 -9.180 2.791 2.593 413 HB2 HIS 56 HB2 HIS 56 -11.098 2.117 4.840 414 HB3 HIS 56 HB3 HIS 56 -10.650 3.775 4.420 415 HD1 HIS 56 HD1 HIS 56 -11.265 4.590 1.847 416 HD2 HIS 56 HD2 HIS 56 -12.884 0.936 3.192 417 HE1 HIS 56 HE1 HIS 56 -13.105 3.956 0.200 418 H ALA 57 H ALA 57 -8.026 0.829 5.319 419 HA ALA 57 HA ALA 57 -6.744 3.054 6.640 420 HB1 ALA 57 HB1 ALA 57 -6.277 0.062 6.879 421 HB2 ALA 57 HB2 ALA 57 -5.678 1.315 7.983 422 HB3 ALA 57 HB3 ALA 57 -7.426 1.027 7.834 423 H ILE 58 H ILE 58 -5.609 0.433 4.340 424 HA ILE 58 HA ILE 58 -2.921 1.370 4.378 425 HB ILE 58 HB ILE 58 -3.086 -0.728 3.551 426 HG12 ILE 58 HG12 ILE 58 -2.504 -0.817 1.207 427 HG13 ILE 58 HG13 ILE 58 -3.215 0.754 0.864 428 HG21 ILE 58 HG21 ILE 58 -5.467 -1.014 3.178 429 HG22 ILE 58 HG22 ILE 58 -5.333 -0.146 1.622 430 HG23 ILE 58 HG23 ILE 58 -4.526 -1.690 1.891 431 HD11 ILE 58 HD11 ILE 58 -1.061 0.788 2.941 432 HD12 ILE 58 HD12 ILE 58 -0.555 0.322 1.293 433 HD13 ILE 58 HD13 ILE 58 -1.338 1.873 1.567 434 H TRP 59 H TRP 59 -5.676 1.983 2.205 435 HA TRP 59 HA TRP 59 -4.349 3.759 0.495 436 HB2 TRP 59 HB2 TRP 59 -6.772 2.744 0.402 437 HB3 TRP 59 HB3 TRP 59 -7.238 4.253 1.161 438 HD1 TRP 59 HD1 TRP 59 -5.192 3.002 -1.904 439 HE1 TRP 59 HE1 TRP 59 -5.453 4.617 -3.819 440 HE3 TRP 59 HE3 TRP 59 -7.914 6.616 0.482 441 HZ2 TRP 59 HZ2 TRP 59 -6.757 7.201 -4.317 442 HZ3 TRP 59 HZ3 TRP 59 -8.665 8.637 -0.740 443 HH2 TRP 59 HH2 TRP 59 -8.090 8.936 -3.146 444 H LYS 60 H LYS 60 -6.246 4.602 3.477 445 HA LYS 60 HA LYS 60 -5.641 7.331 3.379 446 HB2 LYS 60 HB2 LYS 60 -7.336 6.242 4.871 447 HB3 LYS 60 HB3 LYS 60 -6.025 5.562 5.838 448 HG2 LYS 60 HG2 LYS 60 -6.966 7.479 6.960 449 HG3 LYS 60 HG3 LYS 60 -5.326 7.889 6.442 450 HD2 LYS 60 HD2 LYS 60 -6.233 9.056 4.477 451 HD3 LYS 60 HD3 LYS 60 -7.887 8.669 4.956 452 HE2 LYS 60 HE2 LYS 60 -5.934 10.217 6.712 453 HE3 LYS 60 HE3 LYS 60 -6.965 11.010 5.521 454 HZ1 LYS 60 HZ1 LYS 60 -7.943 10.935 7.777 455 HZ2 LYS 60 HZ2 LYS 60 -8.014 9.320 7.711 456 HZ3 LYS 60 HZ3 LYS 60 -8.907 10.212 6.652 457 H GLY 61 H GLY 61 -3.680 4.627 4.740 458 HA2 GLY 61 HA2 GLY 61 -1.730 6.209 6.000 459 HA3 GLY 61 HA3 GLY 61 -1.481 4.559 5.367 460 H ILE 62 H ILE 62 -1.669 4.873 2.644 461 HA ILE 62 HA ILE 62 0.879 6.155 2.187 462 HB ILE 62 HB ILE 62 0.201 4.164 1.146 463 HG12 ILE 62 HG12 ILE 62 1.073 4.606 -1.167 464 HG13 ILE 62 HG13 ILE 62 0.827 6.325 -0.919 465 HG21 ILE 62 HG21 ILE 62 -1.249 4.034 -0.863 466 HG22 ILE 62 HG22 ILE 62 -2.142 4.509 0.583 467 HG23 ILE 62 HG23 ILE 62 -1.688 5.717 -0.641 468 HD11 ILE 62 HD11 ILE 62 2.553 6.318 0.854 469 HD12 ILE 62 HD12 ILE 62 2.732 4.554 0.675 470 HD13 ILE 62 HD13 ILE 62 3.181 5.654 -0.649 471 H LEU 63 H LEU 63 -2.462 6.998 1.393 472 HA LEU 63 HA LEU 63 -1.851 9.321 -0.167 473 HB2 LEU 63 HB2 LEU 63 -4.236 8.376 1.421 474 HB3 LEU 63 HB3 LEU 63 -4.174 10.044 0.958 475 HG LEU 63 HG LEU 63 -5.447 8.543 -0.586 476 HD11 LEU 63 HD11 LEU 63 -4.766 9.724 -2.561 477 HD12 LEU 63 HD12 LEU 63 -3.187 10.120 -1.847 478 HD13 LEU 63 HD13 LEU 63 -4.671 10.820 -1.167 479 HD21 LEU 63 HD21 LEU 63 -3.926 6.615 -0.798 480 HD22 LEU 63 HD22 LEU 63 -2.701 7.653 -1.578 481 HD23 LEU 63 HD23 LEU 63 -4.246 7.350 -2.368 482 H ASP 64 H ASP 64 -1.941 8.660 3.237 483 HA ASP 64 HA ASP 64 -1.856 11.474 4.119 484 HB2 ASP 64 HB2 ASP 64 -1.415 8.854 5.592 485 HB3 ASP 64 HB3 ASP 64 -1.007 10.395 6.313 486 H HIS 65 H HIS 65 0.463 8.861 3.614 487 HA HIS 65 HA HIS 65 2.781 10.188 4.579 488 HB2 HIS 65 HB2 HIS 65 2.791 7.767 4.220 489 HB3 HIS 65 HB3 HIS 65 2.465 7.981 2.501 490 HD1 HIS 65 HD1 HIS 65 5.253 9.560 4.732 491 HD2 HIS 65 HD2 HIS 65 4.560 7.574 1.079 492 HE1 HIS 65 HE1 HIS 65 7.497 9.448 3.537 493 H ARG 66 H ARG 66 1.611 9.729 1.207 494 HA ARG 66 HA ARG 66 3.489 11.628 0.142 495 HB2 ARG 66 HB2 ARG 66 2.383 11.369 -1.950 496 HB3 ARG 66 HB3 ARG 66 2.487 9.802 -1.177 497 HG2 ARG 66 HG2 ARG 66 0.332 9.727 -1.969 498 HG3 ARG 66 HG3 ARG 66 0.071 10.303 -0.340 499 HD2 ARG 66 HD2 ARG 66 -1.357 11.532 -1.725 500 HD3 ARG 66 HD3 ARG 66 -0.106 12.666 -1.247 501 HE ARG 66 HE ARG 66 0.938 11.889 -3.565 502 HH11 ARG 66 HH11 ARG 66 -2.161 13.217 -2.634 503 HH12 ARG 66 HH12 ARG 66 -2.742 13.547 -4.215 504 HH21 ARG 66 HH21 ARG 66 0.186 12.123 -5.761 505 HH22 ARG 66 HH22 ARG 66 -1.250 13.044 -6.082 506 H GLN 67 H GLN 67 0.357 12.137 1.784 507 HA GLN 67 HA GLN 67 -0.070 14.735 0.543 508 HB2 GLN 67 HB2 GLN 67 -1.919 13.813 1.577 509 HB3 GLN 67 HB3 GLN 67 -1.045 13.318 3.034 510 HG2 GLN 67 HG2 GLN 67 -0.913 15.628 3.786 511 HG3 GLN 67 HG3 GLN 67 -1.754 16.177 2.339 512 HE21 GLN 67 HE21 GLN 67 -2.631 16.704 4.892 513 HE22 GLN 67 HE22 GLN 67 -4.146 15.925 5.264 514 H LEU 68 H LEU 68 1.680 13.548 3.429 515 HA LEU 68 HA LEU 68 2.464 16.215 4.290 516 HB2 LEU 68 HB2 LEU 68 3.326 13.423 5.102 517 HB3 LEU 68 HB3 LEU 68 3.888 14.891 5.897 518 HG LEU 68 HG LEU 68 0.924 14.200 5.694 519 HD11 LEU 68 HD11 LEU 68 2.912 13.507 7.885 520 HD12 LEU 68 HD12 LEU 68 2.014 12.371 6.840 521 HD13 LEU 68 HD13 LEU 68 1.139 13.368 8.003 522 HD21 LEU 68 HD21 LEU 68 0.712 15.733 7.611 523 HD22 LEU 68 HD22 LEU 68 1.405 16.566 6.220 524 HD23 LEU 68 HD23 LEU 68 2.456 16.066 7.554 525 H HIS 69 H HIS 69 4.350 13.388 3.052 526 HA HIS 69 HA HIS 69 6.719 14.976 2.589 527 HB2 HIS 69 HB2 HIS 69 5.812 12.090 2.152 528 HB3 HIS 69 HB3 HIS 69 7.298 12.662 1.479 529 HD1 HIS 69 HD1 HIS 69 5.809 11.875 4.935 530 HD2 HIS 69 HD2 HIS 69 9.370 13.179 3.074 531 HE1 HIS 69 HE1 HIS 69 7.641 11.756 6.695 532 H ASP 70 H ASP 70 7.776 14.431 0.312 533 HA ASP 70 HA ASP 70 6.162 14.418 -1.998 534 HB2 ASP 70 HB2 ASP 70 6.681 16.540 -2.913 535 HB3 ASP 70 HB3 ASP 70 5.869 16.817 -1.382 Start of MODEL 7 1 H1 GLY 1 H GLY 1 14.659 -18.555 6.101 2 HA2 GLY 1 HA2 GLY 1 16.892 -17.689 6.621 3 HA3 GLY 1 HA3 GLY 1 16.365 -17.206 4.996 4 HA PRO 2 HA PRO 2 17.411 -13.250 6.981 5 HB2 PRO 2 HB2 PRO 2 17.776 -11.744 4.710 6 HB3 PRO 2 HB3 PRO 2 19.005 -12.882 5.338 7 HG2 PRO 2 HG2 PRO 2 16.945 -13.366 3.168 8 HG3 PRO 2 HG3 PRO 2 18.697 -13.724 3.117 9 HD2 PRO 2 HD2 PRO 2 16.846 -15.633 3.723 10 HD3 PRO 2 HD3 PRO 2 18.434 -15.602 4.545 11 H LEU 3 H LEU 3 16.356 -11.070 6.952 12 HA LEU 3 HA LEU 3 13.439 -11.387 6.623 13 HB2 LEU 3 HB2 LEU 3 15.240 -9.259 7.812 14 HB3 LEU 3 HB3 LEU 3 13.543 -8.919 7.507 15 HG LEU 3 HG LEU 3 14.440 -11.302 9.181 16 HD11 LEU 3 HD11 LEU 3 15.242 -9.233 10.238 17 HD12 LEU 3 HD12 LEU 3 13.916 -9.940 11.171 18 HD13 LEU 3 HD13 LEU 3 13.617 -8.525 10.134 19 HD21 LEU 3 HD21 LEU 3 12.107 -11.151 10.075 20 HD22 LEU 3 HD22 LEU 3 12.117 -11.482 8.342 21 HD23 LEU 3 HD23 LEU 3 11.762 -9.846 8.932 22 H GLY 4 H GLY 4 16.083 -9.606 5.015 23 HA2 GLY 4 HA2 GLY 4 16.112 -8.746 2.881 24 HA3 GLY 4 HA3 GLY 4 14.387 -9.157 2.662 25 H SER 5 H SER 5 12.923 -7.501 2.923 26 HA SER 5 HA SER 5 11.997 -5.520 3.368 27 HB2 SER 5 HB2 SER 5 13.874 -5.324 5.753 28 HB3 SER 5 HB3 SER 5 12.271 -4.618 5.581 29 HG SER 5 HG SER 5 12.147 -6.460 6.845 30 H THR 6 H THR 6 15.200 -5.448 2.279 31 HA THR 6 HA THR 6 15.732 -2.640 2.677 32 HB THR 6 HB THR 6 17.529 -3.239 0.929 33 HG1 THR 6 HG1 THR 6 17.822 -5.267 0.424 34 HG21 THR 6 HG21 THR 6 18.912 -4.392 2.577 35 HG22 THR 6 HG22 THR 6 17.469 -4.865 3.507 36 HG23 THR 6 HG23 THR 6 17.943 -3.155 3.380 37 H ASP 7 H ASP 7 13.862 -4.425 0.291 38 HA ASP 7 HA ASP 7 14.262 -2.527 -1.832 39 HB2 ASP 7 HB2 ASP 7 12.723 -3.782 -3.051 40 HB3 ASP 7 HB3 ASP 7 13.673 -4.947 -2.133 41 H CYS 8 H CYS 8 12.328 -1.440 -2.854 42 HA CYS 8 HA CYS 8 10.839 0.101 -0.781 43 HB2 CYS 8 HB2 CYS 8 11.772 0.788 -3.578 44 HB3 CYS 8 HB3 CYS 8 10.738 1.814 -2.573 45 HG CYS 8 HG CYS 8 13.146 2.783 -2.507 46 H SER 9 H SER 9 9.299 -1.671 -0.623 47 HA SER 9 HA SER 9 7.193 -1.418 -2.655 48 HB2 SER 9 HB2 SER 9 8.093 -4.133 -1.681 49 HB3 SER 9 HB3 SER 9 6.818 -3.771 -2.849 50 HG SER 9 HG SER 9 9.571 -3.843 -3.079 51 H ILE 10 H ILE 10 5.180 -2.723 -1.713 52 HA ILE 10 HA ILE 10 4.501 -1.425 0.649 53 HB ILE 10 HB ILE 10 3.139 -3.800 -0.653 54 HG12 ILE 10 HG12 ILE 10 3.406 -1.816 -2.056 55 HG13 ILE 10 HG13 ILE 10 1.740 -2.218 -1.696 56 HG21 ILE 10 HG21 ILE 10 2.106 -1.995 1.505 57 HG22 ILE 10 HG22 ILE 10 1.095 -3.042 0.482 58 HG23 ILE 10 HG23 ILE 10 2.300 -3.763 1.550 59 HD11 ILE 10 HD11 ILE 10 2.220 0.203 -1.683 60 HD12 ILE 10 HD12 ILE 10 1.576 -0.368 -0.135 61 HD13 ILE 10 HD13 ILE 10 3.310 0.012 -0.323 62 H VAL 11 H VAL 11 6.307 -4.372 0.410 63 HA VAL 11 HA VAL 11 5.648 -5.448 2.969 64 HB VAL 11 HB VAL 11 8.058 -6.139 3.093 65 HG11 VAL 11 HG11 VAL 11 6.600 -6.895 0.531 66 HG12 VAL 11 HG12 VAL 11 7.782 -7.883 1.426 67 HG13 VAL 11 HG13 VAL 11 6.217 -7.527 2.158 68 HG21 VAL 11 HG21 VAL 11 8.294 -4.987 0.291 69 HG22 VAL 11 HG22 VAL 11 9.244 -4.509 1.716 70 HG23 VAL 11 HG23 VAL 11 9.430 -6.112 1.031 71 H SER 12 H SER 12 7.919 -2.810 2.150 72 HA SER 12 HA SER 12 8.816 -2.370 4.846 73 HB2 SER 12 HB2 SER 12 10.021 -1.677 2.736 74 HB3 SER 12 HB3 SER 12 8.762 -0.461 2.465 75 HG SER 12 HG SER 12 10.619 -0.676 4.600 76 H PHE 13 H PHE 13 6.257 -0.941 2.784 77 HA PHE 13 HA PHE 13 5.598 1.073 4.689 78 HB2 PHE 13 HB2 PHE 13 5.108 1.253 2.302 79 HB3 PHE 13 HB3 PHE 13 4.021 -0.128 2.398 80 HD1 PHE 13 HD1 PHE 13 2.178 1.098 1.441 81 HD2 PHE 13 HD2 PHE 13 4.026 2.506 5.097 82 HE1 PHE 13 HE1 PHE 13 0.219 2.537 1.914 83 HE2 PHE 13 HE2 PHE 13 2.069 3.904 5.533 84 HZ PHE 13 HZ PHE 13 0.123 3.834 3.997 85 H PHE 14 H PHE 14 3.965 -2.053 3.938 86 HA PHE 14 HA PHE 14 2.027 -1.778 5.948 87 HB2 PHE 14 HB2 PHE 14 3.136 -4.123 4.399 88 HB3 PHE 14 HB3 PHE 14 2.086 -4.431 5.741 89 HD1 PHE 14 HD1 PHE 14 0.750 -5.575 3.933 90 HD2 PHE 14 HD2 PHE 14 1.205 -1.295 4.045 91 HE1 PHE 14 HE1 PHE 14 -1.149 -5.332 2.373 92 HE2 PHE 14 HE2 PHE 14 -0.679 -1.060 2.530 93 HZ PHE 14 HZ PHE 14 -1.855 -3.058 1.613 94 H ALA 15 H ALA 15 5.290 -3.152 6.089 95 HA ALA 15 HA ALA 15 5.093 -4.167 8.745 96 HB1 ALA 15 HB1 ALA 15 7.442 -3.032 7.169 97 HB2 ALA 15 HB2 ALA 15 7.577 -3.813 8.749 98 HB3 ALA 15 HB3 ALA 15 6.983 -4.746 7.371 99 H ARG 16 H ARG 16 6.034 -0.854 7.536 100 HA ARG 16 HA ARG 16 6.420 0.238 10.153 101 HB2 ARG 16 HB2 ARG 16 5.684 1.612 7.521 102 HB3 ARG 16 HB3 ARG 16 5.996 2.456 9.035 103 HG2 ARG 16 HG2 ARG 16 8.254 0.963 8.921 104 HG3 ARG 16 HG3 ARG 16 7.910 1.078 7.200 105 HD2 ARG 16 HD2 ARG 16 9.369 2.855 7.709 106 HD3 ARG 16 HD3 ARG 16 7.775 3.578 7.419 107 HE ARG 16 HE ARG 16 7.922 3.058 10.162 108 HH11 ARG 16 HH11 ARG 16 10.185 4.729 8.024 109 HH12 ARG 16 HH12 ARG 16 10.929 5.609 9.300 110 HH21 ARG 16 HH21 ARG 16 8.435 4.643 11.704 111 HH22 ARG 16 HH22 ARG 16 9.816 5.630 11.497 112 H LEU 17 H LEU 17 3.503 -0.111 8.180 113 HA LEU 17 HA LEU 17 1.811 1.539 9.877 114 HB2 LEU 17 HB2 LEU 17 1.032 -0.847 8.130 115 HB3 LEU 17 HB3 LEU 17 -0.115 0.199 8.952 116 HG LEU 17 HG LEU 17 1.771 1.011 6.758 117 HD11 LEU 17 HD11 LEU 17 -1.262 0.786 6.757 118 HD12 LEU 17 HD12 LEU 17 -0.139 -0.404 6.045 119 HD13 LEU 17 HD13 LEU 17 -0.233 1.235 5.382 120 HD21 LEU 17 HD21 LEU 17 1.450 2.980 8.135 121 HD22 LEU 17 HD22 LEU 17 -0.277 2.623 8.359 122 HD23 LEU 17 HD23 LEU 17 0.320 3.162 6.788 123 H GLY 18 H GLY 18 2.909 -1.821 10.050 124 HA2 GLY 18 HA2 GLY 18 3.097 -2.955 12.067 125 HA3 GLY 18 HA3 GLY 18 1.648 -2.161 12.709 126 H CYS 19 H CYS 19 1.580 -3.219 9.354 127 HA CYS 19 HA CYS 19 -0.600 -5.041 9.996 128 HB2 CYS 19 HB2 CYS 19 0.892 -4.449 7.420 129 HB3 CYS 19 HB3 CYS 19 -0.592 -5.417 7.509 130 HG CYS 19 HG CYS 19 -0.669 -2.566 9.041 131 H SER 20 H SER 20 -0.581 -7.344 9.588 132 HA SER 20 HA SER 20 2.098 -8.610 9.289 133 HB2 SER 20 HB2 SER 20 1.504 -8.814 11.572 134 HB3 SER 20 HB3 SER 20 -0.144 -9.374 11.174 135 HG SER 20 HG SER 20 1.419 -11.081 11.684 136 H SER 21 H SER 21 -0.918 -10.475 9.445 137 HA SER 21 HA SER 21 -0.512 -11.965 7.241 138 HB2 SER 21 HB2 SER 21 -3.281 -11.140 8.118 139 HB3 SER 21 HB3 SER 21 -2.729 -12.728 7.546 140 HG SER 21 HG SER 21 -2.057 -13.194 9.499 141 H CYS 22 H CYS 22 -1.783 -8.685 7.153 142 HA CYS 22 HA CYS 22 -3.073 -8.799 4.639 143 HB2 CYS 22 HB2 CYS 22 -1.618 -6.416 5.861 144 HB3 CYS 22 HB3 CYS 22 -2.973 -6.380 4.717 145 HG CYS 22 HG CYS 22 -3.187 -6.048 7.730 146 H LEU 23 H LEU 23 0.352 -8.157 5.582 147 HA LEU 23 HA LEU 23 1.150 -7.528 2.885 148 HB2 LEU 23 HB2 LEU 23 3.229 -7.104 3.685 149 HB3 LEU 23 HB3 LEU 23 2.255 -6.791 5.101 150 HG LEU 23 HG LEU 23 2.880 -9.308 5.716 151 HD11 LEU 23 HD11 LEU 23 5.179 -9.865 5.056 152 HD12 LEU 23 HD12 LEU 23 5.205 -8.508 3.932 153 HD13 LEU 23 HD13 LEU 23 4.115 -9.890 3.654 154 HD21 LEU 23 HD21 LEU 23 4.806 -6.958 5.940 155 HD22 LEU 23 HD22 LEU 23 4.827 -8.417 6.948 156 HD23 LEU 23 HD23 LEU 23 3.449 -7.318 7.036 157 H ASP 24 H ASP 24 0.887 -10.401 4.933 158 HA ASP 24 HA ASP 24 2.363 -12.214 3.367 159 HB2 ASP 24 HB2 ASP 24 1.311 -12.500 5.731 160 HB3 ASP 24 HB3 ASP 24 -0.172 -12.929 4.888 161 H TYR 25 H TYR 25 -1.091 -11.220 3.189 162 HA TYR 25 HA TYR 25 -1.762 -12.945 0.985 163 HB2 TYR 25 HB2 TYR 25 -2.928 -10.206 1.630 164 HB3 TYR 25 HB3 TYR 25 -3.661 -11.431 0.614 165 HD1 TYR 25 HD1 TYR 25 -4.750 -9.924 3.139 166 HD2 TYR 25 HD2 TYR 25 -3.075 -13.864 2.522 167 HE1 TYR 25 HE1 TYR 25 -6.068 -10.773 5.026 168 HE2 TYR 25 HE2 TYR 25 -4.338 -14.701 4.432 169 HH TYR 25 HH TYR 25 -5.961 -14.222 5.989 170 H PHE 26 H PHE 26 -0.632 -9.519 1.159 171 HA PHE 26 HA PHE 26 -0.633 -9.028 -1.627 172 HB2 PHE 26 HB2 PHE 26 0.515 -7.801 0.810 173 HB3 PHE 26 HB3 PHE 26 1.451 -7.510 -0.618 174 HD1 PHE 26 HD1 PHE 26 0.603 -6.126 -2.438 175 HD2 PHE 26 HD2 PHE 26 -1.864 -7.067 0.928 176 HE1 PHE 26 HE1 PHE 26 -0.921 -4.262 -3.062 177 HE2 PHE 26 HE2 PHE 26 -3.439 -5.247 0.290 178 HZ PHE 26 HZ PHE 26 -2.965 -3.875 -1.728 179 H THR 27 H THR 27 2.013 -10.444 0.407 180 HA THR 27 HA THR 27 3.876 -10.489 -1.778 181 HB THR 27 HB THR 27 5.183 -12.044 -0.354 182 HG1 THR 27 HG1 THR 27 4.493 -12.812 1.449 183 HG21 THR 27 HG21 THR 27 5.458 -9.598 -0.056 184 HG22 THR 27 HG22 THR 27 5.706 -10.488 1.454 185 HG23 THR 27 HG23 THR 27 4.198 -9.624 1.212 186 H THR 28 H THR 28 1.619 -12.905 -0.375 187 HA THR 28 HA THR 28 2.307 -15.010 -2.115 188 HB THR 28 HB THR 28 -0.489 -14.551 -1.009 189 HG1 THR 28 HG1 THR 28 0.866 -14.325 0.705 190 HG21 THR 28 HG21 THR 28 -0.262 -16.494 -2.506 191 HG22 THR 28 HG22 THR 28 -0.421 -17.050 -0.829 192 HG23 THR 28 HG23 THR 28 1.167 -17.051 -1.608 193 H GLN 29 H GLN 29 -0.078 -12.330 -2.612 194 HA GLN 29 HA GLN 29 -0.965 -13.312 -5.169 195 HB2 GLN 29 HB2 GLN 29 -1.043 -10.591 -3.813 196 HB3 GLN 29 HB3 GLN 29 -1.808 -10.951 -5.372 197 HG2 GLN 29 HG2 GLN 29 -2.541 -12.534 -2.900 198 HG3 GLN 29 HG3 GLN 29 -3.325 -11.021 -3.317 199 HE21 GLN 29 HE21 GLN 29 -3.882 -14.239 -3.550 200 HE22 GLN 29 HE22 GLN 29 -4.750 -14.294 -5.075 201 H GLY 30 H GLY 30 1.826 -11.454 -4.138 202 HA2 GLY 30 HA2 GLY 30 3.681 -10.785 -5.273 203 HA3 GLY 30 HA3 GLY 30 3.117 -11.631 -6.712 204 H LEU 31 H LEU 31 1.399 -9.082 -4.961 205 HA LEU 31 HA LEU 31 1.827 -7.156 -7.221 206 HB2 LEU 31 HB2 LEU 31 -0.596 -6.460 -6.870 207 HB3 LEU 31 HB3 LEU 31 -0.268 -7.983 -7.679 208 HG LEU 31 HG LEU 31 -0.722 -9.195 -5.594 209 HD11 LEU 31 HD11 LEU 31 -2.032 -8.083 -3.776 210 HD12 LEU 31 HD12 LEU 31 -1.576 -6.518 -4.486 211 HD13 LEU 31 HD13 LEU 31 -0.330 -7.633 -3.858 212 HD21 LEU 31 HD21 LEU 31 -2.427 -9.046 -7.236 213 HD22 LEU 31 HD22 LEU 31 -2.969 -7.468 -6.606 214 HD23 LEU 31 HD23 LEU 31 -3.168 -8.955 -5.635 215 H THR 32 H THR 32 3.167 -7.333 -4.571 216 HA THR 32 HA THR 32 2.111 -4.960 -3.118 217 HB THR 32 HB THR 32 2.869 -6.581 -1.701 218 HG1 THR 32 HG1 THR 32 4.413 -5.887 -0.617 219 HG21 THR 32 HG21 THR 32 4.979 -7.903 -1.819 220 HG22 THR 32 HG22 THR 32 5.226 -7.280 -3.458 221 HG23 THR 32 HG23 THR 32 3.808 -8.301 -3.053 222 H THR 33 H THR 33 2.453 -2.925 -3.994 223 HA THR 33 HA THR 33 5.202 -2.237 -4.531 224 HB THR 33 HB THR 33 4.960 -2.833 -6.656 225 HG1 THR 33 HG1 THR 33 5.122 -0.699 -6.892 226 HG21 THR 33 HG21 THR 33 1.891 -2.558 -6.646 227 HG22 THR 33 HG22 THR 33 2.840 -4.057 -6.598 228 HG23 THR 33 HG23 THR 33 2.907 -3.084 -8.018 229 H ILE 34 H ILE 34 5.544 0.040 -4.516 230 HA ILE 34 HA ILE 34 3.488 1.545 -3.087 231 HB ILE 34 HB ILE 34 5.903 3.028 -3.995 232 HG12 ILE 34 HG12 ILE 34 6.899 0.834 -3.219 233 HG13 ILE 34 HG13 ILE 34 7.449 2.314 -2.496 234 HG21 ILE 34 HG21 ILE 34 4.167 4.117 -2.657 235 HG22 ILE 34 HG22 ILE 34 4.315 2.876 -1.383 236 HG23 ILE 34 HG23 ILE 34 5.655 3.985 -1.710 237 HD11 ILE 34 HD11 ILE 34 5.465 0.418 -1.174 238 HD12 ILE 34 HD12 ILE 34 7.209 0.596 -0.788 239 HD13 ILE 34 HD13 ILE 34 6.092 1.902 -0.447 240 H TYR 35 H TYR 35 5.231 2.002 -6.166 241 HA TYR 35 HA TYR 35 3.894 4.319 -6.997 242 HB2 TYR 35 HB2 TYR 35 5.297 2.203 -8.648 243 HB3 TYR 35 HB3 TYR 35 4.778 3.786 -9.238 244 HD1 TYR 35 HD1 TYR 35 7.341 1.996 -7.355 245 HD2 TYR 35 HD2 TYR 35 5.668 5.904 -8.126 246 HE1 TYR 35 HE1 TYR 35 9.274 3.041 -6.288 247 HE2 TYR 35 HE2 TYR 35 7.691 6.956 -7.190 248 HH TYR 35 HH TYR 35 9.785 6.591 -6.164 249 H GLN 36 H GLN 36 2.748 1.140 -6.893 250 HA GLN 36 HA GLN 36 0.786 1.542 -9.075 251 HB2 GLN 36 HB2 GLN 36 1.229 -0.644 -7.002 252 HB3 GLN 36 HB3 GLN 36 -0.130 -0.624 -8.100 253 HG2 GLN 36 HG2 GLN 36 2.720 -1.019 -8.872 254 HG3 GLN 36 HG3 GLN 36 1.320 -2.043 -9.200 255 HE21 GLN 36 HE21 GLN 36 3.543 -0.008 -10.504 256 HE22 GLN 36 HE22 GLN 36 2.652 0.603 -11.894 257 H ILE 37 H ILE 37 0.645 1.338 -5.439 258 HA ILE 37 HA ILE 37 -2.110 2.009 -5.441 259 HB ILE 37 HB ILE 37 -1.865 2.490 -3.046 260 HG12 ILE 37 HG12 ILE 37 1.026 1.610 -3.425 261 HG13 ILE 37 HG13 ILE 37 0.526 3.295 -3.151 262 HG21 ILE 37 HG21 ILE 37 -1.674 0.176 -2.493 263 HG22 ILE 37 HG22 ILE 37 -2.388 0.265 -4.093 264 HG23 ILE 37 HG23 ILE 37 -0.678 -0.151 -3.935 265 HD11 ILE 37 HD11 ILE 37 0.036 0.957 -1.287 266 HD12 ILE 37 HD12 ILE 37 1.247 2.247 -1.072 267 HD13 ILE 37 HD13 ILE 37 -0.479 2.647 -1.014 268 H GLU 38 H GLU 38 0.608 4.240 -5.838 269 HA GLU 38 HA GLU 38 -0.924 6.502 -4.910 270 HB2 GLU 38 HB2 GLU 38 0.575 7.911 -6.225 271 HB3 GLU 38 HB3 GLU 38 1.428 6.802 -5.138 272 HG2 GLU 38 HG2 GLU 38 2.047 5.374 -6.932 273 HG3 GLU 38 HG3 GLU 38 0.999 6.196 -8.081 274 H HIS 39 H HIS 39 -1.208 4.486 -7.753 275 HA HIS 39 HA HIS 39 -3.078 6.443 -9.003 276 HB2 HIS 39 HB2 HIS 39 -0.904 5.598 -10.163 277 HB3 HIS 39 HB3 HIS 39 -1.777 4.083 -10.342 278 HD1 HIS 39 HD1 HIS 39 -1.348 7.406 -11.948 279 HD2 HIS 39 HD2 HIS 39 -4.192 4.301 -11.838 280 HE1 HIS 39 HE1 HIS 39 -2.867 7.752 -13.966 281 H TYR 40 H TYR 40 -2.822 3.185 -7.575 282 HA TYR 40 HA TYR 40 -5.344 2.298 -8.677 283 HB2 TYR 40 HB2 TYR 40 -3.568 1.140 -6.497 284 HB3 TYR 40 HB3 TYR 40 -5.170 0.531 -6.799 285 HD1 TYR 40 HD1 TYR 40 -2.028 -0.714 -7.281 286 HD2 TYR 40 HD2 TYR 40 -5.467 0.512 -9.690 287 HE1 TYR 40 HE1 TYR 40 -1.366 -2.185 -9.103 288 HE2 TYR 40 HE2 TYR 40 -4.763 -0.999 -11.459 289 HH TYR 40 HH TYR 40 -2.834 -2.116 -12.278 290 H SER 41 H SER 41 -7.091 3.373 -8.252 291 HA SER 41 HA SER 41 -7.546 4.871 -5.839 292 HB2 SER 41 HB2 SER 41 -9.829 5.100 -7.246 293 HB3 SER 41 HB3 SER 41 -8.346 5.878 -7.833 294 HG SER 41 HG SER 41 -9.429 4.673 -9.495 295 H MET 42 H MET 42 -9.657 4.651 -4.745 296 HA MET 42 HA MET 42 -9.827 2.331 -3.289 297 HB2 MET 42 HB2 MET 42 -11.719 3.274 -2.273 298 HB3 MET 42 HB3 MET 42 -10.703 4.615 -2.769 299 HG2 MET 42 HG2 MET 42 -12.748 5.395 -3.413 300 HG3 MET 42 HG3 MET 42 -12.286 4.588 -4.911 301 HE1 MET 42 HE1 MET 42 -14.589 4.142 -5.948 302 HE2 MET 42 HE2 MET 42 -16.035 3.775 -4.986 303 HE3 MET 42 HE3 MET 42 -15.159 5.299 -4.719 304 H ASP 43 H ASP 43 -11.336 2.784 -6.417 305 HA ASP 43 HA ASP 43 -13.261 0.630 -6.181 306 HB2 ASP 43 HB2 ASP 43 -13.315 2.631 -7.707 307 HB3 ASP 43 HB3 ASP 43 -12.084 1.879 -8.705 308 H ASP 44 H ASP 44 -10.084 1.061 -7.734 309 HA ASP 44 HA ASP 44 -9.783 -1.541 -8.825 310 HB2 ASP 44 HB2 ASP 44 -8.420 0.888 -8.924 311 HB3 ASP 44 HB3 ASP 44 -7.298 -0.107 -8.014 312 H LEU 45 H LEU 45 -8.607 0.017 -5.874 313 HA LEU 45 HA LEU 45 -7.242 -2.135 -4.652 314 HB2 LEU 45 HB2 LEU 45 -8.816 0.118 -3.336 315 HB3 LEU 45 HB3 LEU 45 -7.672 -0.926 -2.491 316 HG LEU 45 HG LEU 45 -6.909 0.916 -4.787 317 HD11 LEU 45 HD11 LEU 45 -5.997 2.396 -3.130 318 HD12 LEU 45 HD12 LEU 45 -6.596 1.403 -1.783 319 HD13 LEU 45 HD13 LEU 45 -7.722 2.261 -2.849 320 HD21 LEU 45 HD21 LEU 45 -4.642 0.660 -4.015 321 HD22 LEU 45 HD22 LEU 45 -5.317 -0.895 -4.497 322 HD23 LEU 45 HD23 LEU 45 -5.163 -0.486 -2.765 323 H ALA 46 H ALA 46 -10.727 -1.149 -4.320 324 HA ALA 46 HA ALA 46 -11.412 -3.318 -2.603 325 HB1 ALA 46 HB1 ALA 46 -13.737 -2.828 -3.297 326 HB2 ALA 46 HB2 ALA 46 -12.841 -1.357 -2.862 327 HB3 ALA 46 HB3 ALA 46 -13.121 -1.746 -4.564 328 H SER 47 H SER 47 -11.348 -3.080 -6.195 329 HA SER 47 HA SER 47 -12.625 -5.591 -6.614 330 HB2 SER 47 HB2 SER 47 -11.980 -3.559 -8.277 331 HB3 SER 47 HB3 SER 47 -10.635 -4.653 -8.635 332 HG SER 47 HG SER 47 -13.411 -5.210 -8.698 333 H LEU 48 H LEU 48 -9.299 -4.755 -5.782 334 HA LEU 48 HA LEU 48 -8.220 -7.401 -6.382 335 HB2 LEU 48 HB2 LEU 48 -7.140 -5.034 -4.818 336 HB3 LEU 48 HB3 LEU 48 -6.233 -6.528 -5.023 337 HG LEU 48 HG LEU 48 -7.248 -4.881 -7.354 338 HD11 LEU 48 HD11 LEU 48 -4.509 -4.856 -6.061 339 HD12 LEU 48 HD12 LEU 48 -5.718 -3.535 -6.046 340 HD13 LEU 48 HD13 LEU 48 -4.967 -4.020 -7.568 341 HD21 LEU 48 HD21 LEU 48 -5.495 -6.133 -8.620 342 HD22 LEU 48 HD22 LEU 48 -6.786 -7.176 -8.019 343 HD23 LEU 48 HD23 LEU 48 -5.221 -7.142 -7.182 344 H LYS 49 H LYS 49 -10.572 -6.913 -4.414 345 HA LYS 49 HA LYS 49 -11.506 -7.868 -2.647 346 HB2 LYS 49 HB2 LYS 49 -9.332 -9.970 -2.847 347 HB3 LYS 49 HB3 LYS 49 -10.789 -10.056 -1.878 348 HG2 LYS 49 HG2 LYS 49 -11.487 -11.250 -3.684 349 HG3 LYS 49 HG3 LYS 49 -12.058 -9.645 -4.141 350 HD2 LYS 49 HD2 LYS 49 -10.020 -9.381 -5.581 351 HD3 LYS 49 HD3 LYS 49 -9.463 -10.974 -5.103 352 HE2 LYS 49 HE2 LYS 49 -12.226 -10.570 -6.318 353 HE3 LYS 49 HE3 LYS 49 -10.798 -10.566 -7.357 354 HZ1 LYS 49 HZ1 LYS 49 -11.443 -12.820 -5.546 355 HZ2 LYS 49 HZ2 LYS 49 -10.220 -12.725 -6.621 356 HZ3 LYS 49 HZ3 LYS 49 -11.770 -12.751 -7.177 357 H ILE 50 H ILE 50 -10.001 -5.668 -2.150 358 HA ILE 50 HA ILE 50 -8.685 -6.144 0.480 359 HB ILE 50 HB ILE 50 -8.754 -3.629 -1.199 360 HG12 ILE 50 HG12 ILE 50 -7.566 -5.357 -2.499 361 HG13 ILE 50 HG13 ILE 50 -6.470 -4.132 -1.903 362 HG21 ILE 50 HG21 ILE 50 -8.283 -3.465 1.283 363 HG22 ILE 50 HG22 ILE 50 -6.843 -4.426 1.007 364 HG23 ILE 50 HG23 ILE 50 -6.997 -2.846 0.218 365 HD11 ILE 50 HD11 ILE 50 -5.553 -6.427 -1.776 366 HD12 ILE 50 HD12 ILE 50 -5.641 -5.683 -0.175 367 HD13 ILE 50 HD13 ILE 50 -6.850 -6.888 -0.654 368 HA PRO 51 HA PRO 51 -13.004 -4.998 1.498 369 HB2 PRO 51 HB2 PRO 51 -13.009 -5.733 4.136 370 HB3 PRO 51 HB3 PRO 51 -13.165 -6.895 2.786 371 HG2 PRO 51 HG2 PRO 51 -10.660 -6.147 4.334 372 HG3 PRO 51 HG3 PRO 51 -11.268 -7.788 3.948 373 HD2 PRO 51 HD2 PRO 51 -9.362 -6.577 2.441 374 HD3 PRO 51 HD3 PRO 51 -10.637 -7.586 1.686 375 H GLU 52 H GLU 52 -13.903 -3.208 2.556 376 HA GLU 52 HA GLU 52 -12.457 -0.920 2.871 377 HB2 GLU 52 HB2 GLU 52 -14.980 -1.421 4.443 378 HB3 GLU 52 HB3 GLU 52 -14.313 0.115 3.891 379 HG2 GLU 52 HG2 GLU 52 -14.490 -0.856 1.517 380 HG3 GLU 52 HG3 GLU 52 -15.547 -2.085 2.213 381 H GLN 53 H GLN 53 -13.206 -3.147 5.536 382 HA GLN 53 HA GLN 53 -12.335 -1.685 7.726 383 HB2 GLN 53 HB2 GLN 53 -12.092 -3.836 8.855 384 HB3 GLN 53 HB3 GLN 53 -13.529 -3.803 7.837 385 HG2 GLN 53 HG2 GLN 53 -12.122 -5.046 6.069 386 HG3 GLN 53 HG3 GLN 53 -10.913 -5.277 7.327 387 HE21 GLN 53 HE21 GLN 53 -11.101 -7.458 8.104 388 HE22 GLN 53 HE22 GLN 53 -12.609 -8.263 8.290 389 H PHE 54 H PHE 54 -10.374 -2.853 5.192 390 HA PHE 54 HA PHE 54 -7.867 -2.303 6.717 391 HB2 PHE 54 HB2 PHE 54 -8.052 -4.705 6.344 392 HB3 PHE 54 HB3 PHE 54 -8.467 -4.455 4.650 393 HD1 PHE 54 HD1 PHE 54 -6.838 -3.928 3.025 394 HD2 PHE 54 HD2 PHE 54 -5.739 -4.135 7.166 395 HE1 PHE 54 HE1 PHE 54 -4.413 -3.743 2.385 396 HE2 PHE 54 HE2 PHE 54 -3.354 -3.953 6.566 397 HZ PHE 54 HZ PHE 54 -2.682 -3.731 4.200 398 H ARG 55 H ARG 55 -9.464 -2.391 3.487 399 HA ARG 55 HA ARG 55 -7.668 -1.095 1.898 400 HB2 ARG 55 HB2 ARG 55 -9.900 -2.113 1.321 401 HB3 ARG 55 HB3 ARG 55 -10.647 -0.601 1.843 402 HG2 ARG 55 HG2 ARG 55 -9.305 0.631 0.144 403 HG3 ARG 55 HG3 ARG 55 -8.545 -0.873 -0.343 404 HD2 ARG 55 HD2 ARG 55 -10.386 -0.152 -1.871 405 HD3 ARG 55 HD3 ARG 55 -10.582 -1.768 -1.203 406 HE ARG 55 HE ARG 55 -12.641 -1.095 -0.576 407 HH11 ARG 55 HH11 ARG 55 -10.620 1.888 -0.306 408 HH12 ARG 55 HH12 ARG 55 -11.978 2.847 0.092 409 HH21 ARG 55 HH21 ARG 55 -14.343 0.251 -0.144 410 HH22 ARG 55 HH22 ARG 55 -14.109 1.945 0.196 411 H HIS 56 H HIS 56 -10.058 0.507 4.091 412 HA HIS 56 HA HIS 56 -9.425 3.133 3.189 413 HB2 HIS 56 HB2 HIS 56 -11.454 2.475 4.526 414 HB3 HIS 56 HB3 HIS 56 -10.430 2.135 5.913 415 HD1 HIS 56 HD1 HIS 56 -12.056 5.051 4.087 416 HD2 HIS 56 HD2 HIS 56 -9.363 4.274 7.237 417 HE1 HIS 56 HE1 HIS 56 -11.855 7.211 5.398 418 H ALA 57 H ALA 57 -7.798 1.020 5.541 419 HA ALA 57 HA ALA 57 -6.219 3.107 6.739 420 HB1 ALA 57 HB1 ALA 57 -5.079 1.296 7.820 421 HB2 ALA 57 HB2 ALA 57 -6.822 0.905 7.782 422 HB3 ALA 57 HB3 ALA 57 -5.694 0.122 6.652 423 H ILE 58 H ILE 58 -5.548 0.609 4.131 424 HA ILE 58 HA ILE 58 -2.833 1.359 3.842 425 HB ILE 58 HB ILE 58 -3.341 -0.657 2.855 426 HG12 ILE 58 HG12 ILE 58 -3.080 -0.560 0.456 427 HG13 ILE 58 HG13 ILE 58 -3.648 1.103 0.358 428 HG21 ILE 58 HG21 ILE 58 -5.667 0.408 1.236 429 HG22 ILE 58 HG22 ILE 58 -5.106 -1.264 1.358 430 HG23 ILE 58 HG23 ILE 58 -5.803 -0.520 2.772 431 HD11 ILE 58 HD11 ILE 58 -0.986 0.211 0.558 432 HD12 ILE 58 HD12 ILE 58 -1.593 1.880 0.686 433 HD13 ILE 58 HD13 ILE 58 -1.343 0.922 2.148 434 H TRP 59 H TRP 59 -5.791 2.388 2.102 435 HA TRP 59 HA TRP 59 -4.437 4.216 0.425 436 HB2 TRP 59 HB2 TRP 59 -6.782 3.188 0.300 437 HB3 TRP 59 HB3 TRP 59 -7.309 4.508 1.338 438 HD1 TRP 59 HD1 TRP 59 -5.454 3.931 -1.961 439 HE1 TRP 59 HE1 TRP 59 -5.936 5.922 -3.604 440 HE3 TRP 59 HE3 TRP 59 -8.050 6.785 1.110 441 HZ2 TRP 59 HZ2 TRP 59 -7.553 8.354 -3.569 442 HZ3 TRP 59 HZ3 TRP 59 -9.205 8.956 0.360 443 HH2 TRP 59 HH2 TRP 59 -8.951 9.684 -2.003 444 H LYS 60 H LYS 60 -6.108 4.837 3.604 445 HA LYS 60 HA LYS 60 -5.433 7.605 3.575 446 HB2 LYS 60 HB2 LYS 60 -7.086 6.394 5.152 447 HB3 LYS 60 HB3 LYS 60 -5.660 5.941 6.107 448 HG2 LYS 60 HG2 LYS 60 -5.133 8.408 6.342 449 HG3 LYS 60 HG3 LYS 60 -6.495 8.768 5.295 450 HD2 LYS 60 HD2 LYS 60 -7.386 9.160 7.389 451 HD3 LYS 60 HD3 LYS 60 -7.967 7.552 7.020 452 HE2 LYS 60 HE2 LYS 60 -7.259 7.700 9.328 453 HE3 LYS 60 HE3 LYS 60 -6.197 6.570 8.474 454 HZ1 LYS 60 HZ1 LYS 60 -4.477 8.133 8.528 455 HZ2 LYS 60 HZ2 LYS 60 -5.155 8.263 10.012 456 HZ3 LYS 60 HZ3 LYS 60 -5.463 9.406 8.888 457 H GLY 61 H GLY 61 -3.567 4.746 4.720 458 HA2 GLY 61 HA2 GLY 61 -1.577 6.111 6.183 459 HA3 GLY 61 HA3 GLY 61 -1.397 4.564 5.371 460 H ILE 62 H ILE 62 -1.609 5.169 2.701 461 HA ILE 62 HA ILE 62 0.912 6.495 2.283 462 HB ILE 62 HB ILE 62 -0.279 4.563 1.110 463 HG12 ILE 62 HG12 ILE 62 2.020 5.014 0.726 464 HG13 ILE 62 HG13 ILE 62 1.251 4.688 -0.810 465 HG21 ILE 62 HG21 ILE 62 -1.062 6.683 -0.871 466 HG22 ILE 62 HG22 ILE 62 -1.084 4.940 -1.134 467 HG23 ILE 62 HG23 ILE 62 -2.157 5.640 0.075 468 HD11 ILE 62 HD11 ILE 62 2.808 6.482 -1.122 469 HD12 ILE 62 HD12 ILE 62 1.186 7.178 -1.259 470 HD13 ILE 62 HD13 ILE 62 2.140 7.401 0.230 471 H LEU 63 H LEU 63 -2.551 7.455 1.562 472 HA LEU 63 HA LEU 63 -1.713 9.890 0.315 473 HB2 LEU 63 HB2 LEU 63 -4.284 8.878 1.486 474 HB3 LEU 63 HB3 LEU 63 -4.083 10.619 1.355 475 HG LEU 63 HG LEU 63 -3.510 10.420 -1.056 476 HD11 LEU 63 HD11 LEU 63 -4.227 7.481 -0.652 477 HD12 LEU 63 HD12 LEU 63 -2.693 8.147 -1.255 478 HD13 LEU 63 HD13 LEU 63 -4.160 8.289 -2.226 479 HD21 LEU 63 HD21 LEU 63 -6.129 9.177 -0.175 480 HD22 LEU 63 HD22 LEU 63 -5.822 9.879 -1.774 481 HD23 LEU 63 HD23 LEU 63 -5.795 10.925 -0.340 482 H ASP 64 H ASP 64 -2.052 8.968 3.675 483 HA ASP 64 HA ASP 64 -1.922 11.717 4.712 484 HB2 ASP 64 HB2 ASP 64 -2.924 9.902 6.019 485 HB3 ASP 64 HB3 ASP 64 -1.370 9.080 6.123 486 H HIS 65 H HIS 65 0.384 9.152 4.074 487 HA HIS 65 HA HIS 65 2.686 10.353 5.271 488 HB2 HIS 65 HB2 HIS 65 2.682 7.979 4.816 489 HB3 HIS 65 HB3 HIS 65 2.317 8.238 3.120 490 HD1 HIS 65 HD1 HIS 65 5.243 9.733 5.239 491 HD2 HIS 65 HD2 HIS 65 4.335 7.588 1.724 492 HE1 HIS 65 HE1 HIS 65 7.452 9.419 4.009 493 H ARG 66 H ARG 66 1.659 10.123 1.825 494 HA ARG 66 HA ARG 66 3.667 11.996 0.980 495 HB2 ARG 66 HB2 ARG 66 2.537 12.043 -1.176 496 HB3 ARG 66 HB3 ARG 66 2.734 10.412 -0.566 497 HG2 ARG 66 HG2 ARG 66 0.576 10.122 -1.129 498 HG3 ARG 66 HG3 ARG 66 0.245 10.928 0.389 499 HD2 ARG 66 HD2 ARG 66 -0.920 12.437 -0.636 500 HD3 ARG 66 HD3 ARG 66 0.535 13.061 -1.387 501 HE ARG 66 HE ARG 66 -1.604 11.664 -2.711 502 HH11 ARG 66 HH11 ARG 66 1.817 12.411 -3.215 503 HH12 ARG 66 HH12 ARG 66 2.023 11.205 -4.460 504 HH21 ARG 66 HH21 ARG 66 -1.383 10.308 -4.603 505 HH22 ARG 66 HH22 ARG 66 0.203 10.265 -5.371 506 H GLN 67 H GLN 67 0.416 12.487 2.331 507 HA GLN 67 HA GLN 67 0.361 15.301 1.521 508 HB2 GLN 67 HB2 GLN 67 -1.238 13.687 3.528 509 HB3 GLN 67 HB3 GLN 67 -1.387 15.438 3.449 510 HG2 GLN 67 HG2 GLN 67 -2.261 15.463 1.281 511 HG3 GLN 67 HG3 GLN 67 -1.688 13.845 0.912 512 HE21 GLN 67 HE21 GLN 67 -3.853 13.391 0.153 513 HE22 GLN 67 HE22 GLN 67 -5.166 13.082 1.277 514 H LEU 68 H LEU 68 1.696 13.541 4.347 515 HA LEU 68 HA LEU 68 2.292 16.102 5.695 516 HB2 LEU 68 HB2 LEU 68 2.463 13.205 6.589 517 HB3 LEU 68 HB3 LEU 68 2.988 14.577 7.554 518 HG LEU 68 HG LEU 68 0.128 14.011 6.708 519 HD11 LEU 68 HD11 LEU 68 -0.237 13.778 9.107 520 HD12 LEU 68 HD12 LEU 68 1.457 14.219 9.453 521 HD13 LEU 68 HD13 LEU 68 1.068 12.706 8.617 522 HD21 LEU 68 HD21 LEU 68 1.371 16.461 8.001 523 HD22 LEU 68 HD22 LEU 68 -0.350 16.049 8.191 524 HD23 LEU 68 HD23 LEU 68 0.297 16.376 6.590 525 H HIS 69 H HIS 69 3.921 14.069 3.536 526 HA HIS 69 HA HIS 69 6.558 15.114 4.408 527 HB2 HIS 69 HB2 HIS 69 6.093 12.625 4.867 528 HB3 HIS 69 HB3 HIS 69 6.036 12.403 3.116 529 HD1 HIS 69 HD1 HIS 69 8.535 13.714 5.802 530 HD2 HIS 69 HD2 HIS 69 8.373 11.941 1.975 531 HE1 HIS 69 HE1 HIS 69 10.943 13.204 5.146 532 H ASP 70 H ASP 70 8.016 14.343 2.199 533 HA ASP 70 HA ASP 70 6.692 15.237 -0.256 534 HB2 ASP 70 HB2 ASP 70 7.440 17.335 0.836 535 HB3 ASP 70 HB3 ASP 70 9.048 16.687 1.044 Start of MODEL 8 1 H1 GLY 1 H GLY 1 8.343 -15.199 -7.658 2 HA2 GLY 1 HA2 GLY 1 9.810 -13.832 -6.175 3 HA3 GLY 1 HA3 GLY 1 10.657 -14.565 -7.548 4 HA PRO 2 HA PRO 2 10.108 -9.848 -8.421 5 HB2 PRO 2 HB2 PRO 2 10.522 -8.213 -6.259 6 HB3 PRO 2 HB3 PRO 2 8.916 -8.846 -6.723 7 HG2 PRO 2 HG2 PRO 2 10.789 -9.882 -4.587 8 HG3 PRO 2 HG3 PRO 2 9.024 -9.650 -4.486 9 HD2 PRO 2 HD2 PRO 2 10.254 -12.075 -5.009 10 HD3 PRO 2 HD3 PRO 2 8.625 -11.658 -5.599 11 H LEU 3 H LEU 3 11.954 -8.373 -8.794 12 HA LEU 3 HA LEU 3 14.517 -9.091 -7.536 13 HB2 LEU 3 HB2 LEU 3 13.934 -10.542 -9.669 14 HB3 LEU 3 HB3 LEU 3 14.274 -9.082 -10.573 15 HG LEU 3 HG LEU 3 16.117 -10.707 -10.482 16 HD11 LEU 3 HD11 LEU 3 17.086 -8.253 -8.987 17 HD12 LEU 3 HD12 LEU 3 16.601 -8.228 -10.705 18 HD13 LEU 3 HD13 LEU 3 17.933 -9.251 -10.161 19 HD21 LEU 3 HD21 LEU 3 15.614 -11.551 -8.167 20 HD22 LEU 3 HD22 LEU 3 16.464 -10.124 -7.522 21 HD23 LEU 3 HD23 LEU 3 17.320 -11.295 -8.534 22 H GLY 4 H GLY 4 15.850 -7.268 -7.418 23 HA2 GLY 4 HA2 GLY 4 16.627 -5.148 -7.875 24 HA3 GLY 4 HA3 GLY 4 15.387 -4.927 -9.128 25 H SER 5 H SER 5 13.072 -4.906 -8.182 26 HA SER 5 HA SER 5 12.841 -2.811 -6.225 27 HB2 SER 5 HB2 SER 5 10.295 -3.463 -6.674 28 HB3 SER 5 HB3 SER 5 11.274 -2.561 -7.823 29 HG SER 5 HG SER 5 10.204 -4.178 -8.886 30 H THR 6 H THR 6 13.927 -5.571 -5.361 31 HA THR 6 HA THR 6 12.060 -6.659 -3.497 32 HB THR 6 HB THR 6 14.286 -7.775 -2.747 33 HG1 THR 6 HG1 THR 6 15.952 -7.562 -4.001 34 HG21 THR 6 HG21 THR 6 14.302 -9.240 -4.773 35 HG22 THR 6 HG22 THR 6 13.241 -8.073 -5.597 36 HG23 THR 6 HG23 THR 6 12.680 -8.932 -4.145 37 H ASP 7 H ASP 7 13.915 -3.807 -3.515 38 HA ASP 7 HA ASP 7 14.409 -3.612 -0.649 39 HB2 ASP 7 HB2 ASP 7 15.584 -1.617 -1.265 40 HB3 ASP 7 HB3 ASP 7 16.026 -2.872 -2.416 41 H CYS 8 H CYS 8 12.418 -2.012 -3.138 42 HA CYS 8 HA CYS 8 10.769 -0.681 -1.036 43 HB2 CYS 8 HB2 CYS 8 11.411 0.092 -3.912 44 HB3 CYS 8 HB3 CYS 8 10.238 0.927 -2.888 45 HG CYS 8 HG CYS 8 13.532 0.623 -2.658 46 H SER 9 H SER 9 9.072 -2.053 -0.689 47 HA SER 9 HA SER 9 7.195 -2.611 -2.847 48 HB2 SER 9 HB2 SER 9 8.831 -4.666 -1.320 49 HB3 SER 9 HB3 SER 9 7.205 -5.049 -1.872 50 HG SER 9 HG SER 9 9.281 -4.095 -3.593 51 H ILE 10 H ILE 10 5.112 -3.291 -1.806 52 HA ILE 10 HA ILE 10 4.249 -1.674 0.272 53 HB ILE 10 HB ILE 10 3.239 -4.357 -0.723 54 HG12 ILE 10 HG12 ILE 10 3.187 -2.269 -2.139 55 HG13 ILE 10 HG13 ILE 10 1.673 -3.146 -1.989 56 HG21 ILE 10 HG21 ILE 10 2.307 -4.357 1.465 57 HG22 ILE 10 HG22 ILE 10 1.816 -2.666 1.339 58 HG23 ILE 10 HG23 ILE 10 1.027 -3.910 0.343 59 HD11 ILE 10 HD11 ILE 10 1.380 -0.732 -1.934 60 HD12 ILE 10 HD12 ILE 10 0.853 -1.439 -0.403 61 HD13 ILE 10 HD13 ILE 10 2.429 -0.602 -0.510 62 H VAL 11 H VAL 11 5.823 -4.748 0.499 63 HA VAL 11 HA VAL 11 5.115 -5.501 3.138 64 HB VAL 11 HB VAL 11 7.402 -6.494 3.359 65 HG11 VAL 11 HG11 VAL 11 5.902 -7.195 0.791 66 HG12 VAL 11 HG12 VAL 11 6.982 -8.269 1.708 67 HG13 VAL 11 HG13 VAL 11 5.453 -7.734 2.421 68 HG21 VAL 11 HG21 VAL 11 8.744 -5.047 1.917 69 HG22 VAL 11 HG22 VAL 11 8.802 -6.704 1.362 70 HG23 VAL 11 HG23 VAL 11 7.796 -5.541 0.492 71 H SER 12 H SER 12 7.802 -3.230 2.278 72 HA SER 12 HA SER 12 8.473 -2.719 4.998 73 HB2 SER 12 HB2 SER 12 9.843 -2.376 2.894 74 HB3 SER 12 HB3 SER 12 8.922 -0.893 2.609 75 HG SER 12 HG SER 12 10.944 -0.655 3.710 76 H PHE 13 H PHE 13 6.155 -1.166 2.771 77 HA PHE 13 HA PHE 13 5.600 1.086 4.502 78 HB2 PHE 13 HB2 PHE 13 4.995 1.228 2.181 79 HB3 PHE 13 HB3 PHE 13 4.004 -0.220 2.277 80 HD1 PHE 13 HD1 PHE 13 2.026 0.756 1.355 81 HD2 PHE 13 HD2 PHE 13 3.872 2.602 4.784 82 HE1 PHE 13 HE1 PHE 13 -0.048 2.127 1.769 83 HE2 PHE 13 HE2 PHE 13 1.820 3.938 5.167 84 HZ PHE 13 HZ PHE 13 -0.162 3.600 3.708 85 H PHE 14 H PHE 14 4.032 -2.075 4.058 86 HA PHE 14 HA PHE 14 2.019 -1.827 6.050 87 HB2 PHE 14 HB2 PHE 14 3.316 -4.061 4.480 88 HB3 PHE 14 HB3 PHE 14 2.341 -4.474 5.857 89 HD1 PHE 14 HD1 PHE 14 0.906 -5.704 4.318 90 HD2 PHE 14 HD2 PHE 14 1.278 -1.422 4.010 91 HE1 PHE 14 HE1 PHE 14 -1.169 -5.606 2.936 92 HE2 PHE 14 HE2 PHE 14 -0.789 -1.319 2.750 93 HZ PHE 14 HZ PHE 14 -2.051 -3.419 2.197 94 H ALA 15 H ALA 15 5.355 -3.092 6.230 95 HA ALA 15 HA ALA 15 5.230 -4.065 8.870 96 HB1 ALA 15 HB1 ALA 15 7.119 -4.490 7.321 97 HB2 ALA 15 HB2 ALA 15 7.589 -2.782 7.419 98 HB3 ALA 15 HB3 ALA 15 7.670 -3.811 8.865 99 H ARG 16 H ARG 16 6.179 -0.823 7.639 100 HA ARG 16 HA ARG 16 6.437 0.396 10.145 101 HB2 ARG 16 HB2 ARG 16 5.760 1.543 7.430 102 HB3 ARG 16 HB3 ARG 16 5.882 2.547 8.868 103 HG2 ARG 16 HG2 ARG 16 8.214 0.990 9.021 104 HG3 ARG 16 HG3 ARG 16 8.021 1.227 7.291 105 HD2 ARG 16 HD2 ARG 16 9.463 2.937 8.356 106 HD3 ARG 16 HD3 ARG 16 8.017 3.668 7.628 107 HE ARG 16 HE ARG 16 7.634 2.953 10.398 108 HH11 ARG 16 HH11 ARG 16 9.395 5.499 8.569 109 HH12 ARG 16 HH12 ARG 16 8.846 6.734 9.663 110 HH21 ARG 16 HH21 ARG 16 6.941 4.620 11.706 111 HH22 ARG 16 HH22 ARG 16 7.507 6.267 11.415 112 H LEU 17 H LEU 17 3.485 0.102 8.156 113 HA LEU 17 HA LEU 17 1.792 1.654 9.893 114 HB2 LEU 17 HB2 LEU 17 1.035 -0.782 8.206 115 HB3 LEU 17 HB3 LEU 17 -0.125 0.247 9.026 116 HG LEU 17 HG LEU 17 1.698 1.072 6.776 117 HD11 LEU 17 HD11 LEU 17 -0.357 1.181 5.431 118 HD12 LEU 17 HD12 LEU 17 -1.314 0.632 6.827 119 HD13 LEU 17 HD13 LEU 17 -0.114 -0.445 6.082 120 HD21 LEU 17 HD21 LEU 17 -0.473 2.626 8.272 121 HD22 LEU 17 HD22 LEU 17 0.248 3.159 6.741 122 HD23 LEU 17 HD23 LEU 17 1.259 3.030 8.182 123 H GLY 18 H GLY 18 2.686 -1.783 9.926 124 HA2 GLY 18 HA2 GLY 18 2.959 -2.893 12.071 125 HA3 GLY 18 HA3 GLY 18 1.480 -2.130 12.641 126 H CYS 19 H CYS 19 1.396 -3.202 9.285 127 HA CYS 19 HA CYS 19 -0.781 -5.016 9.785 128 HB2 CYS 19 HB2 CYS 19 1.005 -4.857 7.363 129 HB3 CYS 19 HB3 CYS 19 -0.627 -5.528 7.441 130 HG CYS 19 HG CYS 19 -1.494 -3.025 8.543 131 H SER 20 H SER 20 -0.836 -7.291 9.094 132 HA SER 20 HA SER 20 1.626 -8.837 9.703 133 HB2 SER 20 HB2 SER 20 0.198 -8.686 11.700 134 HB3 SER 20 HB3 SER 20 -1.177 -9.312 10.803 135 HG SER 20 HG SER 20 1.193 -10.839 10.816 136 H SER 21 H SER 21 -1.190 -10.747 9.153 137 HA SER 21 HA SER 21 -0.347 -11.947 6.873 138 HB2 SER 21 HB2 SER 21 -3.243 -11.478 7.658 139 HB3 SER 21 HB3 SER 21 -2.611 -12.807 6.663 140 HG SER 21 HG SER 21 -1.551 -13.626 8.351 141 H CYS 22 H CYS 22 -1.809 -8.774 6.895 142 HA CYS 22 HA CYS 22 -2.830 -8.845 4.216 143 HB2 CYS 22 HB2 CYS 22 -1.693 -6.435 5.718 144 HB3 CYS 22 HB3 CYS 22 -2.777 -6.397 4.320 145 HG CYS 22 HG CYS 22 -3.472 -7.906 7.220 146 H LEU 23 H LEU 23 0.464 -8.367 5.516 147 HA LEU 23 HA LEU 23 1.596 -7.473 3.050 148 HB2 LEU 23 HB2 LEU 23 3.616 -7.449 4.137 149 HB3 LEU 23 HB3 LEU 23 2.515 -7.278 5.480 150 HG LEU 23 HG LEU 23 2.815 -9.946 5.665 151 HD11 LEU 23 HD11 LEU 23 5.477 -9.087 4.424 152 HD12 LEU 23 HD12 LEU 23 4.298 -10.125 3.597 153 HD13 LEU 23 HD13 LEU 23 5.065 -10.685 5.082 154 HD21 LEU 23 HD21 LEU 23 4.694 -9.583 7.204 155 HD22 LEU 23 HD22 LEU 23 3.403 -8.403 7.417 156 HD23 LEU 23 HD23 LEU 23 4.889 -7.933 6.558 157 H ASP 24 H ASP 24 1.088 -10.586 4.616 158 HA ASP 24 HA ASP 24 2.544 -12.301 2.933 159 HB2 ASP 24 HB2 ASP 24 1.743 -12.939 5.124 160 HB3 ASP 24 HB3 ASP 24 0.071 -12.928 4.559 161 H TYR 25 H TYR 25 -0.916 -11.417 2.943 162 HA TYR 25 HA TYR 25 -1.624 -12.909 0.634 163 HB2 TYR 25 HB2 TYR 25 -2.848 -10.346 1.744 164 HB3 TYR 25 HB3 TYR 25 -3.623 -11.433 0.601 165 HD1 TYR 25 HD1 TYR 25 -4.286 -10.474 3.654 166 HD2 TYR 25 HD2 TYR 25 -2.867 -14.143 1.850 167 HE1 TYR 25 HE1 TYR 25 -5.295 -11.773 5.485 168 HE2 TYR 25 HE2 TYR 25 -3.854 -15.425 3.700 169 HH TYR 25 HH TYR 25 -5.769 -13.977 6.337 170 H PHE 26 H PHE 26 -0.582 -9.426 0.919 171 HA PHE 26 HA PHE 26 -0.788 -8.845 -1.839 172 HB2 PHE 26 HB2 PHE 26 0.638 -7.793 0.554 173 HB3 PHE 26 HB3 PHE 26 1.465 -7.484 -0.951 174 HD1 PHE 26 HD1 PHE 26 0.618 -6.005 -2.625 175 HD2 PHE 26 HD2 PHE 26 -1.657 -6.817 0.924 176 HE1 PHE 26 HE1 PHE 26 -0.592 -3.885 -2.963 177 HE2 PHE 26 HE2 PHE 26 -2.949 -4.808 0.564 178 HZ PHE 26 HZ PHE 26 -2.404 -3.247 -1.359 179 H THR 27 H THR 27 2.001 -10.115 -0.033 180 HA THR 27 HA THR 27 3.769 -10.147 -2.293 181 HB THR 27 HB THR 27 4.415 -9.783 0.050 182 HG1 THR 27 HG1 THR 27 5.836 -11.841 -1.246 183 HG21 THR 27 HG21 THR 27 4.324 -12.801 0.381 184 HG22 THR 27 HG22 THR 27 3.290 -11.602 1.175 185 HG23 THR 27 HG23 THR 27 5.006 -11.601 1.514 186 H THR 28 H THR 28 1.884 -12.792 -0.744 187 HA THR 28 HA THR 28 2.827 -14.797 -2.450 188 HB THR 28 HB THR 28 0.068 -14.471 -1.182 189 HG1 THR 28 HG1 THR 28 1.493 -14.471 0.435 190 HG21 THR 28 HG21 THR 28 1.554 -16.976 -2.109 191 HG22 THR 28 HG22 THR 28 0.079 -16.317 -2.847 192 HG23 THR 28 HG23 THR 28 0.036 -16.943 -1.192 193 H GLN 29 H GLN 29 0.206 -12.337 -2.996 194 HA GLN 29 HA GLN 29 -0.564 -13.485 -5.540 195 HB2 GLN 29 HB2 GLN 29 -0.972 -10.791 -4.206 196 HB3 GLN 29 HB3 GLN 29 -1.719 -11.256 -5.753 197 HG2 GLN 29 HG2 GLN 29 -2.864 -13.139 -4.681 198 HG3 GLN 29 HG3 GLN 29 -2.111 -12.738 -3.127 199 HE21 GLN 29 HE21 GLN 29 -2.671 -10.741 -2.109 200 HE22 GLN 29 HE22 GLN 29 -4.133 -9.825 -2.557 201 H GLY 30 H GLY 30 2.117 -11.442 -4.619 202 HA2 GLY 30 HA2 GLY 30 3.799 -10.542 -5.913 203 HA3 GLY 30 HA3 GLY 30 3.141 -11.420 -7.304 204 H LEU 31 H LEU 31 1.509 -8.967 -5.272 205 HA LEU 31 HA LEU 31 1.521 -7.049 -7.555 206 HB2 LEU 31 HB2 LEU 31 -0.860 -6.475 -6.951 207 HB3 LEU 31 HB3 LEU 31 -0.571 -7.991 -7.781 208 HG LEU 31 HG LEU 31 -0.717 -9.168 -5.583 209 HD11 LEU 31 HD11 LEU 31 -1.970 -8.040 -3.748 210 HD12 LEU 31 HD12 LEU 31 -1.663 -6.482 -4.549 211 HD13 LEU 31 HD13 LEU 31 -0.312 -7.487 -3.960 212 HD21 LEU 31 HD21 LEU 31 -2.501 -9.218 -7.118 213 HD22 LEU 31 HD22 LEU 31 -3.107 -7.629 -6.586 214 HD23 LEU 31 HD23 LEU 31 -3.176 -9.031 -5.490 215 H THR 32 H THR 32 3.019 -7.294 -4.933 216 HA THR 32 HA THR 32 2.085 -4.910 -3.440 217 HB THR 32 HB THR 32 2.935 -6.212 -1.791 218 HG1 THR 32 HG1 THR 32 5.377 -5.505 -3.008 219 HG21 THR 32 HG21 THR 32 4.478 -8.080 -1.999 220 HG22 THR 32 HG22 THR 32 4.734 -7.721 -3.728 221 HG23 THR 32 HG23 THR 32 3.148 -8.247 -3.147 222 H THR 33 H THR 33 2.617 -2.796 -4.113 223 HA THR 33 HA THR 33 5.404 -2.474 -4.499 224 HB THR 33 HB THR 33 5.223 -2.794 -6.788 225 HG1 THR 33 HG1 THR 33 5.002 -1.023 -7.863 226 HG21 THR 33 HG21 THR 33 3.118 -2.775 -8.127 227 HG22 THR 33 HG22 THR 33 2.188 -2.400 -6.633 228 HG23 THR 33 HG23 THR 33 3.059 -3.913 -6.815 229 H ILE 34 H ILE 34 6.053 -0.294 -4.340 230 HA ILE 34 HA ILE 34 4.246 1.342 -2.701 231 HB ILE 34 HB ILE 34 7.049 2.013 -3.703 232 HG12 ILE 34 HG12 ILE 34 7.164 -0.076 -2.420 233 HG13 ILE 34 HG13 ILE 34 7.960 1.254 -1.621 234 HG21 ILE 34 HG21 ILE 34 5.959 4.004 -2.884 235 HG22 ILE 34 HG22 ILE 34 5.337 3.163 -1.450 236 HG23 ILE 34 HG23 ILE 34 7.077 3.474 -1.624 237 HD11 ILE 34 HD11 ILE 34 5.250 0.081 -0.864 238 HD12 ILE 34 HD12 ILE 34 6.763 0.057 0.079 239 HD13 ILE 34 HD13 ILE 34 5.911 1.553 -0.124 240 H TYR 35 H TYR 35 5.880 1.590 -5.803 241 HA TYR 35 HA TYR 35 5.046 4.143 -6.604 242 HB2 TYR 35 HB2 TYR 35 5.691 1.828 -8.459 243 HB3 TYR 35 HB3 TYR 35 6.013 3.539 -8.691 244 HD1 TYR 35 HD1 TYR 35 7.108 0.421 -7.016 245 HD2 TYR 35 HD2 TYR 35 8.007 4.600 -7.592 246 HE1 TYR 35 HE1 TYR 35 9.333 0.094 -5.975 247 HE2 TYR 35 HE2 TYR 35 10.270 4.250 -6.674 248 HH TYR 35 HH TYR 35 11.770 2.667 -5.626 249 H GLN 36 H GLN 36 3.373 1.052 -6.727 250 HA GLN 36 HA GLN 36 1.507 2.017 -8.816 251 HB2 GLN 36 HB2 GLN 36 1.485 -0.492 -7.116 252 HB3 GLN 36 HB3 GLN 36 0.209 -0.047 -8.246 253 HG2 GLN 36 HG2 GLN 36 3.052 -0.632 -9.042 254 HG3 GLN 36 HG3 GLN 36 1.624 -1.651 -9.314 255 HE21 GLN 36 HE21 GLN 36 3.428 -0.821 -11.318 256 HE22 GLN 36 HE22 GLN 36 2.659 0.370 -12.380 257 H ILE 37 H ILE 37 1.317 1.497 -5.239 258 HA ILE 37 HA ILE 37 -1.417 2.192 -5.131 259 HB ILE 37 HB ILE 37 -1.062 2.620 -2.714 260 HG12 ILE 37 HG12 ILE 37 1.770 1.657 -3.210 261 HG13 ILE 37 HG13 ILE 37 1.338 3.354 -2.970 262 HG21 ILE 37 HG21 ILE 37 -0.004 -0.018 -3.819 263 HG22 ILE 37 HG22 ILE 37 -0.788 0.248 -2.246 264 HG23 ILE 37 HG23 ILE 37 -1.717 0.461 -3.713 265 HD11 ILE 37 HD11 ILE 37 2.171 2.248 -0.921 266 HD12 ILE 37 HD12 ILE 37 0.516 2.893 -0.736 267 HD13 ILE 37 HD13 ILE 37 0.763 1.167 -0.947 268 H GLU 38 H GLU 38 1.271 4.273 -5.713 269 HA GLU 38 HA GLU 38 0.193 6.693 -4.707 270 HB2 GLU 38 HB2 GLU 38 2.005 6.097 -7.074 271 HB3 GLU 38 HB3 GLU 38 1.648 7.737 -6.496 272 HG2 GLU 38 HG2 GLU 38 2.663 7.329 -4.367 273 HG3 GLU 38 HG3 GLU 38 2.801 5.602 -4.673 274 H HIS 39 H HIS 39 -0.731 4.723 -7.493 275 HA HIS 39 HA HIS 39 -2.665 6.831 -8.336 276 HB2 HIS 39 HB2 HIS 39 -0.865 6.439 -9.973 277 HB3 HIS 39 HB3 HIS 39 -1.338 4.746 -10.056 278 HD1 HIS 39 HD1 HIS 39 -2.761 8.269 -10.988 279 HD2 HIS 39 HD2 HIS 39 -3.353 4.134 -11.689 280 HE1 HIS 39 HE1 HIS 39 -4.460 8.083 -12.846 281 H TYR 40 H TYR 40 -2.340 3.484 -7.235 282 HA TYR 40 HA TYR 40 -4.893 2.591 -8.238 283 HB2 TYR 40 HB2 TYR 40 -3.131 1.580 -5.982 284 HB3 TYR 40 HB3 TYR 40 -4.701 0.913 -6.310 285 HD1 TYR 40 HD1 TYR 40 -1.626 -0.313 -6.447 286 HD2 TYR 40 HD2 TYR 40 -4.824 0.642 -9.240 287 HE1 TYR 40 HE1 TYR 40 -1.037 -2.235 -7.831 288 HE2 TYR 40 HE2 TYR 40 -4.167 -1.264 -10.624 289 HH TYR 40 HH TYR 40 -2.721 -3.097 -10.867 290 H SER 41 H SER 41 -6.784 3.567 -7.709 291 HA SER 41 HA SER 41 -7.116 5.063 -5.250 292 HB2 SER 41 HB2 SER 41 -9.311 4.189 -7.154 293 HB3 SER 41 HB3 SER 41 -9.267 5.615 -6.106 294 HG SER 41 HG SER 41 -7.778 5.074 -8.452 295 H MET 42 H MET 42 -9.372 4.613 -4.079 296 HA MET 42 HA MET 42 -9.175 2.142 -2.713 297 HB2 MET 42 HB2 MET 42 -11.011 2.848 -1.454 298 HB3 MET 42 HB3 MET 42 -10.135 4.316 -1.839 299 HG2 MET 42 HG2 MET 42 -12.706 3.289 -3.103 300 HG3 MET 42 HG3 MET 42 -12.534 4.669 -2.035 301 HE1 MET 42 HE1 MET 42 -10.941 7.403 -4.287 302 HE2 MET 42 HE2 MET 42 -11.808 7.071 -2.770 303 HE3 MET 42 HE3 MET 42 -10.196 6.376 -3.042 304 H ASP 43 H ASP 43 -10.741 3.023 -5.649 305 HA ASP 43 HA ASP 43 -12.786 1.063 -5.891 306 HB2 ASP 43 HB2 ASP 43 -12.656 3.080 -7.282 307 HB3 ASP 43 HB3 ASP 43 -11.096 2.575 -7.947 308 H ASP 44 H ASP 44 -9.396 1.163 -7.086 309 HA ASP 44 HA ASP 44 -9.414 -1.474 -8.243 310 HB2 ASP 44 HB2 ASP 44 -7.261 0.516 -7.478 311 HB3 ASP 44 HB3 ASP 44 -6.834 -1.159 -7.787 312 H LEU 45 H LEU 45 -8.396 -0.122 -5.094 313 HA LEU 45 HA LEU 45 -7.349 -2.461 -3.913 314 HB2 LEU 45 HB2 LEU 45 -8.846 -0.071 -2.766 315 HB3 LEU 45 HB3 LEU 45 -8.410 -1.403 -1.722 316 HG LEU 45 HG LEU 45 -6.348 0.110 -3.359 317 HD11 LEU 45 HD11 LEU 45 -7.340 0.550 -0.488 318 HD12 LEU 45 HD12 LEU 45 -7.321 1.722 -1.823 319 HD13 LEU 45 HD13 LEU 45 -5.806 1.176 -1.115 320 HD21 LEU 45 HD21 LEU 45 -4.811 -0.882 -1.738 321 HD22 LEU 45 HD22 LEU 45 -5.731 -2.177 -2.500 322 HD23 LEU 45 HD23 LEU 45 -6.186 -1.618 -0.859 323 H ALA 46 H ALA 46 -10.720 -1.246 -3.830 324 HA ALA 46 HA ALA 46 -11.849 -3.395 -2.389 325 HB1 ALA 46 HB1 ALA 46 -12.950 -1.229 -2.857 326 HB2 ALA 46 HB2 ALA 46 -13.090 -1.669 -4.562 327 HB3 ALA 46 HB3 ALA 46 -13.986 -2.596 -3.336 328 H SER 47 H SER 47 -11.280 -3.001 -5.907 329 HA SER 47 HA SER 47 -12.695 -5.343 -6.687 330 HB2 SER 47 HB2 SER 47 -11.728 -3.257 -8.019 331 HB3 SER 47 HB3 SER 47 -10.303 -4.289 -8.201 332 HG SER 47 HG SER 47 -12.995 -5.025 -8.846 333 H LEU 48 H LEU 48 -9.389 -4.851 -5.474 334 HA LEU 48 HA LEU 48 -8.562 -7.604 -6.043 335 HB2 LEU 48 HB2 LEU 48 -7.227 -5.344 -4.511 336 HB3 LEU 48 HB3 LEU 48 -6.494 -6.926 -4.787 337 HG LEU 48 HG LEU 48 -7.230 -4.955 -6.980 338 HD11 LEU 48 HD11 LEU 48 -4.554 -5.850 -5.811 339 HD12 LEU 48 HD12 LEU 48 -5.344 -4.271 -5.573 340 HD13 LEU 48 HD13 LEU 48 -4.782 -4.748 -7.187 341 HD21 LEU 48 HD21 LEU 48 -5.825 -7.662 -7.134 342 HD22 LEU 48 HD22 LEU 48 -5.897 -6.453 -8.436 343 HD23 LEU 48 HD23 LEU 48 -7.383 -7.221 -7.883 344 H LYS 49 H LYS 49 -10.934 -7.481 -4.451 345 HA LYS 49 HA LYS 49 -11.927 -8.425 -2.762 346 HB2 LYS 49 HB2 LYS 49 -9.838 -10.134 -3.451 347 HB3 LYS 49 HB3 LYS 49 -9.560 -9.915 -1.736 348 HG2 LYS 49 HG2 LYS 49 -11.004 -11.728 -1.743 349 HG3 LYS 49 HG3 LYS 49 -12.126 -10.368 -1.534 350 HD2 LYS 49 HD2 LYS 49 -12.384 -10.387 -4.086 351 HD3 LYS 49 HD3 LYS 49 -11.442 -11.874 -4.101 352 HE2 LYS 49 HE2 LYS 49 -13.857 -12.363 -4.157 353 HE3 LYS 49 HE3 LYS 49 -13.114 -13.017 -2.689 354 HZ1 LYS 49 HZ1 LYS 49 -15.247 -11.822 -2.322 355 HZ2 LYS 49 HZ2 LYS 49 -14.541 -10.440 -2.849 356 HZ3 LYS 49 HZ3 LYS 49 -14.010 -11.139 -1.471 357 H ILE 50 H ILE 50 -9.735 -6.192 -2.075 358 HA ILE 50 HA ILE 50 -9.270 -6.442 0.756 359 HB ILE 50 HB ILE 50 -9.281 -3.936 -0.931 360 HG12 ILE 50 HG12 ILE 50 -7.770 -5.567 -2.010 361 HG13 ILE 50 HG13 ILE 50 -6.835 -4.348 -1.217 362 HG21 ILE 50 HG21 ILE 50 -9.170 -3.605 1.535 363 HG22 ILE 50 HG22 ILE 50 -7.724 -4.615 1.527 364 HG23 ILE 50 HG23 ILE 50 -7.704 -3.069 0.671 365 HD11 ILE 50 HD11 ILE 50 -6.334 -5.919 0.659 366 HD12 ILE 50 HD12 ILE 50 -7.349 -7.154 -0.119 367 HD13 ILE 50 HD13 ILE 50 -5.875 -6.581 -0.900 368 HA PRO 51 HA PRO 51 -13.506 -5.239 1.906 369 HB2 PRO 51 HB2 PRO 51 -13.303 -5.428 4.605 370 HB3 PRO 51 HB3 PRO 51 -13.313 -6.881 3.559 371 HG2 PRO 51 HG2 PRO 51 -10.936 -5.475 4.773 372 HG3 PRO 51 HG3 PRO 51 -11.275 -7.223 4.756 373 HD2 PRO 51 HD2 PRO 51 -9.621 -6.012 2.926 374 HD3 PRO 51 HD3 PRO 51 -10.635 -7.429 2.496 375 H GLU 52 H GLU 52 -14.293 -3.083 2.357 376 HA GLU 52 HA GLU 52 -12.376 -1.061 2.308 377 HB2 GLU 52 HB2 GLU 52 -14.060 0.561 2.511 378 HB3 GLU 52 HB3 GLU 52 -14.615 -0.735 1.481 379 HG2 GLU 52 HG2 GLU 52 -15.887 -1.646 3.519 380 HG3 GLU 52 HG3 GLU 52 -15.516 -0.096 4.305 381 H GLN 53 H GLN 53 -13.758 -2.594 5.076 382 HA GLN 53 HA GLN 53 -13.121 -0.863 7.144 383 HB2 GLN 53 HB2 GLN 53 -12.748 -3.885 7.146 384 HB3 GLN 53 HB3 GLN 53 -12.969 -2.851 8.558 385 HG2 GLN 53 HG2 GLN 53 -15.247 -2.260 7.771 386 HG3 GLN 53 HG3 GLN 53 -15.038 -3.340 6.389 387 HE21 GLN 53 HE21 GLN 53 -15.988 -3.212 9.700 388 HE22 GLN 53 HE22 GLN 53 -15.987 -4.930 10.040 389 H PHE 54 H PHE 54 -10.912 -2.832 5.236 390 HA PHE 54 HA PHE 54 -8.576 -1.952 6.890 391 HB2 PHE 54 HB2 PHE 54 -8.537 -4.270 6.976 392 HB3 PHE 54 HB3 PHE 54 -9.090 -4.443 5.302 393 HD1 PHE 54 HD1 PHE 54 -7.698 -4.185 3.455 394 HD2 PHE 54 HD2 PHE 54 -6.125 -3.589 7.403 395 HE1 PHE 54 HE1 PHE 54 -5.354 -4.206 2.522 396 HE2 PHE 54 HE2 PHE 54 -3.822 -3.554 6.502 397 HZ PHE 54 HZ PHE 54 -3.426 -3.878 4.072 398 H ARG 55 H ARG 55 -10.019 -2.012 3.588 399 HA ARG 55 HA ARG 55 -7.737 -1.118 2.205 400 HB2 ARG 55 HB2 ARG 55 -9.080 -0.921 0.435 401 HB3 ARG 55 HB3 ARG 55 -10.265 -1.701 1.452 402 HG2 ARG 55 HG2 ARG 55 -11.109 0.655 2.062 403 HG3 ARG 55 HG3 ARG 55 -10.013 1.290 0.834 404 HD2 ARG 55 HD2 ARG 55 -11.215 0.140 -0.934 405 HD3 ARG 55 HD3 ARG 55 -12.209 -0.742 0.224 406 HE ARG 55 HE ARG 55 -12.427 2.105 0.622 407 HH11 ARG 55 HH11 ARG 55 -13.948 -0.635 -1.072 408 HH12 ARG 55 HH12 ARG 55 -15.070 0.333 -1.940 409 HH21 ARG 55 HH21 ARG 55 -14.206 3.398 -0.349 410 HH22 ARG 55 HH22 ARG 55 -15.218 2.639 -1.488 411 H HIS 56 H HIS 56 -10.013 0.616 4.289 412 HA HIS 56 HA HIS 56 -9.108 3.234 3.764 413 HB2 HIS 56 HB2 HIS 56 -11.154 2.157 5.164 414 HB3 HIS 56 HB3 HIS 56 -10.059 2.368 6.514 415 HD1 HIS 56 HD1 HIS 56 -12.849 3.979 5.135 416 HD2 HIS 56 HD2 HIS 56 -9.008 5.268 6.301 417 HE1 HIS 56 HE1 HIS 56 -13.005 6.488 5.477 418 H ALA 57 H ALA 57 -7.622 0.647 5.732 419 HA ALA 57 HA ALA 57 -5.939 2.401 7.285 420 HB1 ALA 57 HB1 ALA 57 -4.763 0.372 7.918 421 HB2 ALA 57 HB2 ALA 57 -6.511 0.093 8.018 422 HB3 ALA 57 HB3 ALA 57 -5.576 -0.562 6.656 423 H ILE 58 H ILE 58 -5.306 0.224 4.465 424 HA ILE 58 HA ILE 58 -2.662 1.163 4.087 425 HB ILE 58 HB ILE 58 -3.128 -0.872 3.120 426 HG12 ILE 58 HG12 ILE 58 -3.222 1.080 0.783 427 HG13 ILE 58 HG13 ILE 58 -1.778 0.654 1.705 428 HG21 ILE 58 HG21 ILE 58 -5.606 -0.807 3.014 429 HG22 ILE 58 HG22 ILE 58 -5.483 0.141 1.506 430 HG23 ILE 58 HG23 ILE 58 -4.872 -1.514 1.608 431 HD11 ILE 58 HD11 ILE 58 -1.819 -0.506 -0.420 432 HD12 ILE 58 HD12 ILE 58 -1.998 -1.692 0.873 433 HD13 ILE 58 HD13 ILE 58 -3.408 -1.194 -0.071 434 H TRP 59 H TRP 59 -5.680 2.105 2.399 435 HA TRP 59 HA TRP 59 -4.446 4.019 0.754 436 HB2 TRP 59 HB2 TRP 59 -6.826 2.904 0.691 437 HB3 TRP 59 HB3 TRP 59 -7.319 4.365 1.534 438 HD1 TRP 59 HD1 TRP 59 -5.444 3.272 -1.699 439 HE1 TRP 59 HE1 TRP 59 -5.861 4.931 -3.554 440 HE3 TRP 59 HE3 TRP 59 -7.987 6.792 0.977 441 HZ2 TRP 59 HZ2 TRP 59 -7.516 7.298 -3.958 442 HZ3 TRP 59 HZ3 TRP 59 -8.850 8.827 -0.152 443 HH2 TRP 59 HH2 TRP 59 -8.701 9.064 -2.621 444 H LYS 60 H LYS 60 -6.193 4.630 3.918 445 HA LYS 60 HA LYS 60 -5.649 7.418 3.896 446 HB2 LYS 60 HB2 LYS 60 -7.224 6.336 5.417 447 HB3 LYS 60 HB3 LYS 60 -5.885 5.514 6.242 448 HG2 LYS 60 HG2 LYS 60 -5.944 8.529 6.208 449 HG3 LYS 60 HG3 LYS 60 -7.074 7.636 7.233 450 HD2 LYS 60 HD2 LYS 60 -5.044 6.349 8.172 451 HD3 LYS 60 HD3 LYS 60 -4.042 7.556 7.360 452 HE2 LYS 60 HE2 LYS 60 -4.276 8.239 9.605 453 HE3 LYS 60 HE3 LYS 60 -5.228 9.356 8.637 454 HZ1 LYS 60 HZ1 LYS 60 -6.463 7.041 10.038 455 HZ2 LYS 60 HZ2 LYS 60 -7.202 8.396 9.419 456 HZ3 LYS 60 HZ3 LYS 60 -6.279 8.509 10.736 457 H GLY 61 H GLY 61 -3.591 4.644 4.979 458 HA2 GLY 61 HA2 GLY 61 -1.627 6.196 6.273 459 HA3 GLY 61 HA3 GLY 61 -1.353 4.628 5.495 460 H ILE 62 H ILE 62 -1.734 5.138 2.801 461 HA ILE 62 HA ILE 62 0.697 6.597 2.238 462 HB ILE 62 HB ILE 62 0.102 4.656 1.224 463 HG12 ILE 62 HG12 ILE 62 1.592 6.416 0.107 464 HG13 ILE 62 HG13 ILE 62 1.116 5.016 -0.822 465 HG21 ILE 62 HG21 ILE 62 -2.277 4.690 0.891 466 HG22 ILE 62 HG22 ILE 62 -2.120 5.919 -0.367 467 HG23 ILE 62 HG23 ILE 62 -1.450 4.295 -0.613 468 HD11 ILE 62 HD11 ILE 62 -0.203 7.738 -1.124 469 HD12 ILE 62 HD12 ILE 62 1.069 7.070 -2.162 470 HD13 ILE 62 HD13 ILE 62 -0.511 6.285 -2.103 471 H LEU 63 H LEU 63 -2.755 7.248 1.672 472 HA LEU 63 HA LEU 63 -2.287 9.671 0.204 473 HB2 LEU 63 HB2 LEU 63 -4.639 8.614 1.775 474 HB3 LEU 63 HB3 LEU 63 -4.606 10.313 1.385 475 HG LEU 63 HG LEU 63 -5.875 9.030 -0.247 476 HD11 LEU 63 HD11 LEU 63 -4.771 11.159 -0.906 477 HD12 LEU 63 HD12 LEU 63 -4.982 10.021 -2.252 478 HD13 LEU 63 HD13 LEU 63 -3.394 10.220 -1.531 479 HD21 LEU 63 HD21 LEU 63 -4.801 7.613 -1.922 480 HD22 LEU 63 HD22 LEU 63 -4.579 6.918 -0.311 481 HD23 LEU 63 HD23 LEU 63 -3.242 7.779 -1.117 482 H ASP 64 H ASP 64 -2.282 8.882 3.596 483 HA ASP 64 HA ASP 64 -2.197 11.696 4.499 484 HB2 ASP 64 HB2 ASP 64 -1.716 9.078 5.960 485 HB3 ASP 64 HB3 ASP 64 -1.158 10.578 6.623 486 H HIS 65 H HIS 65 0.116 9.202 3.642 487 HA HIS 65 HA HIS 65 2.438 10.545 4.674 488 HB2 HIS 65 HB2 HIS 65 2.572 8.164 4.294 489 HB3 HIS 65 HB3 HIS 65 2.180 8.363 2.584 490 HD1 HIS 65 HD1 HIS 65 4.865 10.265 4.693 491 HD2 HIS 65 HD2 HIS 65 4.328 7.968 1.178 492 HE1 HIS 65 HE1 HIS 65 7.086 10.281 3.470 493 H ARG 66 H ARG 66 1.193 10.109 1.347 494 HA ARG 66 HA ARG 66 3.024 11.959 0.196 495 HB2 ARG 66 HB2 ARG 66 1.780 11.764 -1.827 496 HB3 ARG 66 HB3 ARG 66 1.875 10.191 -1.066 497 HG2 ARG 66 HG2 ARG 66 -0.315 10.147 -1.727 498 HG3 ARG 66 HG3 ARG 66 -0.495 10.778 -0.098 499 HD2 ARG 66 HD2 ARG 66 -1.947 11.978 -1.627 500 HD3 ARG 66 HD3 ARG 66 -0.722 13.062 -0.985 501 HE ARG 66 HE ARG 66 -0.479 11.734 -3.662 502 HH11 ARG 66 HH11 ARG 66 -0.706 14.838 -1.979 503 HH12 ARG 66 HH12 ARG 66 0.517 15.610 -2.961 504 HH21 ARG 66 HH21 ARG 66 0.713 12.791 -5.166 505 HH22 ARG 66 HH22 ARG 66 1.037 14.497 -5.061 506 H GLN 67 H GLN 67 -0.109 12.506 1.862 507 HA GLN 67 HA GLN 67 -0.291 15.186 0.757 508 HB2 GLN 67 HB2 GLN 67 -2.268 14.076 1.537 509 HB3 GLN 67 HB3 GLN 67 -1.581 13.832 3.163 510 HG2 GLN 67 HG2 GLN 67 -1.642 16.149 3.633 511 HG3 GLN 67 HG3 GLN 67 -1.992 16.584 1.963 512 HE21 GLN 67 HE21 GLN 67 -4.127 16.841 1.418 513 HE22 GLN 67 HE22 GLN 67 -5.503 16.297 2.369 514 H LEU 68 H LEU 68 1.086 13.807 3.770 515 HA LEU 68 HA LEU 68 1.928 16.468 4.701 516 HB2 LEU 68 HB2 LEU 68 1.887 13.674 5.814 517 HB3 LEU 68 HB3 LEU 68 2.803 14.904 6.631 518 HG LEU 68 HG LEU 68 -0.140 15.284 6.001 519 HD11 LEU 68 HD11 LEU 68 0.035 13.356 7.459 520 HD12 LEU 68 HD12 LEU 68 -0.490 14.738 8.425 521 HD13 LEU 68 HD13 LEU 68 1.210 14.222 8.509 522 HD21 LEU 68 HD21 LEU 68 -0.010 17.008 7.764 523 HD22 LEU 68 HD22 LEU 68 1.174 17.367 6.510 524 HD23 LEU 68 HD23 LEU 68 1.706 16.641 8.034 525 H HIS 69 H HIS 69 3.402 14.270 2.597 526 HA HIS 69 HA HIS 69 6.075 15.398 3.227 527 HB2 HIS 69 HB2 HIS 69 5.607 13.026 4.146 528 HB3 HIS 69 HB3 HIS 69 5.625 12.500 2.467 529 HD1 HIS 69 HD1 HIS 69 8.121 12.347 1.337 530 HD2 HIS 69 HD2 HIS 69 7.907 13.815 5.295 531 HE1 HIS 69 HE1 HIS 69 10.461 12.301 2.228 532 H ASP 70 H ASP 70 3.842 15.845 1.155 533 HA ASP 70 HA ASP 70 4.407 14.927 -1.395 534 HB2 ASP 70 HB2 ASP 70 2.466 16.426 -0.497 535 HB3 ASP 70 HB3 ASP 70 3.522 17.767 -0.771 Start of MODEL 9 1 H1 GLY 1 H GLY 1 21.131 -13.918 -1.694 2 HA2 GLY 1 HA2 GLY 1 23.714 -13.251 -3.003 3 HA3 GLY 1 HA3 GLY 1 22.125 -12.700 -3.581 4 HA PRO 2 HA PRO 2 23.635 -9.314 -0.884 5 HB2 PRO 2 HB2 PRO 2 21.887 -7.373 -1.834 6 HB3 PRO 2 HB3 PRO 2 23.437 -7.820 -2.605 7 HG2 PRO 2 HG2 PRO 2 20.655 -8.825 -3.273 8 HG3 PRO 2 HG3 PRO 2 21.897 -8.193 -4.392 9 HD2 PRO 2 HD2 PRO 2 21.578 -10.840 -4.046 10 HD3 PRO 2 HD3 PRO 2 23.229 -10.159 -4.147 11 H LEU 3 H LEU 3 22.786 -8.423 1.054 12 HA LEU 3 HA LEU 3 19.963 -8.964 1.800 13 HB2 LEU 3 HB2 LEU 3 21.508 -10.890 2.372 14 HB3 LEU 3 HB3 LEU 3 22.370 -9.816 3.455 15 HG LEU 3 HG LEU 3 19.425 -10.583 3.663 16 HD11 LEU 3 HD11 LEU 3 21.825 -11.541 5.263 17 HD12 LEU 3 HD12 LEU 3 20.988 -12.464 3.999 18 HD13 LEU 3 HD13 LEU 3 20.137 -12.037 5.498 19 HD21 LEU 3 HD21 LEU 3 19.610 -8.529 4.907 20 HD22 LEU 3 HD22 LEU 3 21.186 -9.002 5.590 21 HD23 LEU 3 HD23 LEU 3 19.684 -9.815 6.082 22 H GLY 4 H GLY 4 19.145 -7.211 2.856 23 HA2 GLY 4 HA2 GLY 4 20.189 -5.714 4.830 24 HA3 GLY 4 HA3 GLY 4 20.745 -4.864 3.369 25 H SER 5 H SER 5 18.918 -3.598 5.131 26 HA SER 5 HA SER 5 16.186 -3.919 4.208 27 HB2 SER 5 HB2 SER 5 17.593 -1.731 5.809 28 HB3 SER 5 HB3 SER 5 15.860 -1.758 5.456 29 HG SER 5 HG SER 5 15.637 -3.646 6.559 30 H THR 6 H THR 6 15.808 -3.468 2.015 31 HA THR 6 HA THR 6 17.408 -1.396 0.671 32 HB THR 6 HB THR 6 16.241 -2.253 -1.348 33 HG1 THR 6 HG1 THR 6 14.728 -3.665 -1.205 34 HG21 THR 6 HG21 THR 6 17.392 -4.388 -1.482 35 HG22 THR 6 HG22 THR 6 17.485 -4.518 0.284 36 HG23 THR 6 HG23 THR 6 18.414 -3.279 -0.564 37 H ASP 7 H ASP 7 14.360 -1.818 2.188 38 HA ASP 7 HA ASP 7 12.389 -0.734 2.273 39 HB2 ASP 7 HB2 ASP 7 14.314 1.583 2.618 40 HB3 ASP 7 HB3 ASP 7 12.628 1.542 3.156 41 H CYS 8 H CYS 8 12.477 -1.287 -0.245 42 HA CYS 8 HA CYS 8 11.543 1.173 -1.642 43 HB2 CYS 8 HB2 CYS 8 12.692 0.382 -3.658 44 HB3 CYS 8 HB3 CYS 8 13.827 0.632 -2.328 45 HG CYS 8 HG CYS 8 12.448 -2.156 -3.417 46 H SER 9 H SER 9 9.955 -0.957 -0.217 47 HA SER 9 HA SER 9 8.063 -1.529 -2.343 48 HB2 SER 9 HB2 SER 9 9.737 -3.683 -0.985 49 HB3 SER 9 HB3 SER 9 8.072 -4.017 -1.472 50 HG SER 9 HG SER 9 8.587 -3.313 -3.552 51 H ILE 10 H ILE 10 5.983 -2.401 -1.403 52 HA ILE 10 HA ILE 10 5.276 -1.021 0.935 53 HB ILE 10 HB ILE 10 3.949 -3.378 -0.415 54 HG12 ILE 10 HG12 ILE 10 4.111 -1.298 -1.712 55 HG13 ILE 10 HG13 ILE 10 2.487 -1.929 -1.456 56 HG21 ILE 10 HG21 ILE 10 2.999 -1.697 1.915 57 HG22 ILE 10 HG22 ILE 10 1.843 -2.446 0.834 58 HG23 ILE 10 HG23 ILE 10 2.973 -3.466 1.741 59 HD11 ILE 10 HD11 ILE 10 2.044 -0.228 0.267 60 HD12 ILE 10 HD12 ILE 10 3.711 0.385 0.128 61 HD13 ILE 10 HD13 ILE 10 2.571 0.513 -1.215 62 H VAL 11 H VAL 11 6.752 -4.191 0.652 63 HA VAL 11 HA VAL 11 5.896 -5.302 3.122 64 HB VAL 11 HB VAL 11 8.298 -6.220 3.321 65 HG11 VAL 11 HG11 VAL 11 6.526 -6.856 0.926 66 HG12 VAL 11 HG12 VAL 11 7.747 -7.941 1.634 67 HG13 VAL 11 HG13 VAL 11 6.334 -7.478 2.575 68 HG21 VAL 11 HG21 VAL 11 9.423 -4.610 1.758 69 HG22 VAL 11 HG22 VAL 11 9.645 -6.309 1.323 70 HG23 VAL 11 HG23 VAL 11 8.487 -5.326 0.414 71 H SER 12 H SER 12 8.407 -2.835 2.641 72 HA SER 12 HA SER 12 8.985 -2.694 5.477 73 HB2 SER 12 HB2 SER 12 10.558 -2.041 3.609 74 HB3 SER 12 HB3 SER 12 9.598 -0.560 3.401 75 HG SER 12 HG SER 12 11.546 -0.647 4.966 76 H PHE 13 H PHE 13 6.740 -0.943 3.269 77 HA PHE 13 HA PHE 13 6.030 1.056 5.179 78 HB2 PHE 13 HB2 PHE 13 5.532 1.314 2.793 79 HB3 PHE 13 HB3 PHE 13 4.445 -0.069 2.841 80 HD1 PHE 13 HD1 PHE 13 2.418 0.964 2.132 81 HD2 PHE 13 HD2 PHE 13 4.630 2.713 5.401 82 HE1 PHE 13 HE1 PHE 13 0.554 2.595 2.558 83 HE2 PHE 13 HE2 PHE 13 2.746 4.252 5.832 84 HZ PHE 13 HZ PHE 13 0.768 4.200 4.424 85 H PHE 14 H PHE 14 4.490 -2.097 4.354 86 HA PHE 14 HA PHE 14 2.456 -1.885 6.317 87 HB2 PHE 14 HB2 PHE 14 3.629 -4.217 4.795 88 HB3 PHE 14 HB3 PHE 14 2.500 -4.494 6.104 89 HD1 PHE 14 HD1 PHE 14 1.108 -5.626 4.369 90 HD2 PHE 14 HD2 PHE 14 1.851 -1.392 4.215 91 HE1 PHE 14 HE1 PHE 14 -0.737 -5.358 2.697 92 HE2 PHE 14 HE2 PHE 14 0.081 -1.138 2.594 93 HZ PHE 14 HZ PHE 14 -1.242 -3.093 1.798 94 H ALA 15 H ALA 15 5.758 -3.214 6.519 95 HA ALA 15 HA ALA 15 5.530 -4.221 9.178 96 HB1 ALA 15 HB1 ALA 15 7.453 -4.767 7.787 97 HB2 ALA 15 HB2 ALA 15 7.935 -3.052 7.701 98 HB3 ALA 15 HB3 ALA 15 8.025 -3.920 9.239 99 H ARG 16 H ARG 16 6.528 -0.988 7.958 100 HA ARG 16 HA ARG 16 6.901 0.225 10.513 101 HB2 ARG 16 HB2 ARG 16 6.353 1.326 7.716 102 HB3 ARG 16 HB3 ARG 16 6.582 2.377 9.118 103 HG2 ARG 16 HG2 ARG 16 8.716 1.220 9.601 104 HG3 ARG 16 HG3 ARG 16 8.611 0.341 8.079 105 HD2 ARG 16 HD2 ARG 16 8.348 2.584 6.900 106 HD3 ARG 16 HD3 ARG 16 8.686 3.337 8.473 107 HE ARG 16 HE ARG 16 10.734 1.468 7.492 108 HH11 ARG 16 HH11 ARG 16 9.632 4.868 7.571 109 HH12 ARG 16 HH12 ARG 16 11.189 5.506 7.156 110 HH21 ARG 16 HH21 ARG 16 12.731 2.290 6.982 111 HH22 ARG 16 HH22 ARG 16 13.022 4.012 6.867 112 H LEU 17 H LEU 17 4.089 -0.174 8.570 113 HA LEU 17 HA LEU 17 2.316 1.654 10.056 114 HB2 LEU 17 HB2 LEU 17 1.719 -0.685 8.182 115 HB3 LEU 17 HB3 LEU 17 0.456 0.155 9.052 116 HG LEU 17 HG LEU 17 2.267 1.412 6.990 117 HD11 LEU 17 HD11 LEU 17 0.208 1.521 5.611 118 HD12 LEU 17 HD12 LEU 17 -0.689 0.678 6.894 119 HD13 LEU 17 HD13 LEU 17 0.624 -0.150 6.019 120 HD21 LEU 17 HD21 LEU 17 -0.052 2.549 8.604 121 HD22 LEU 17 HD22 LEU 17 0.611 3.300 7.129 122 HD23 LEU 17 HD23 LEU 17 1.630 3.131 8.557 123 H GLY 18 H GLY 18 2.780 -1.869 9.925 124 HA2 GLY 18 HA2 GLY 18 3.054 -3.057 12.075 125 HA3 GLY 18 HA3 GLY 18 1.568 -2.258 12.606 126 H CYS 19 H CYS 19 1.000 -2.721 9.402 127 HA CYS 19 HA CYS 19 -0.936 -4.750 9.687 128 HB2 CYS 19 HB2 CYS 19 0.449 -3.922 7.108 129 HB3 CYS 19 HB3 CYS 19 -1.190 -4.565 7.320 130 HG CYS 19 HG CYS 19 -1.404 -2.079 6.657 131 H SER 20 H SER 20 -0.351 -6.764 10.391 132 HA SER 20 HA SER 20 2.035 -8.058 9.485 133 HB2 SER 20 HB2 SER 20 0.849 -9.943 10.936 134 HB3 SER 20 HB3 SER 20 1.689 -8.568 11.620 135 HG SER 20 HG SER 20 -1.142 -8.676 11.260 136 H SER 21 H SER 21 -0.980 -9.988 9.515 137 HA SER 21 HA SER 21 -0.232 -11.458 7.282 138 HB2 SER 21 HB2 SER 21 -3.024 -11.005 8.373 139 HB3 SER 21 HB3 SER 21 -2.503 -12.349 7.331 140 HG SER 21 HG SER 21 -2.501 -12.920 9.532 141 H CYS 22 H CYS 22 -1.597 -8.248 7.151 142 HA CYS 22 HA CYS 22 -2.912 -8.505 4.623 143 HB2 CYS 22 HB2 CYS 22 -1.421 -6.065 5.699 144 HB3 CYS 22 HB3 CYS 22 -2.728 -6.084 4.502 145 HG CYS 22 HG CYS 22 -4.498 -7.219 6.122 146 H LEU 23 H LEU 23 0.522 -8.170 5.555 147 HA LEU 23 HA LEU 23 1.439 -7.546 2.892 148 HB2 LEU 23 HB2 LEU 23 3.559 -7.493 3.759 149 HB3 LEU 23 HB3 LEU 23 2.608 -7.063 5.159 150 HG LEU 23 HG LEU 23 2.809 -9.668 5.727 151 HD11 LEU 23 HD11 LEU 23 5.032 -10.542 5.094 152 HD12 LEU 23 HD12 LEU 23 5.275 -9.174 3.996 153 HD13 LEU 23 HD13 LEU 23 4.015 -10.375 3.672 154 HD21 LEU 23 HD21 LEU 23 5.102 -7.696 6.071 155 HD22 LEU 23 HD22 LEU 23 4.790 -9.154 7.052 156 HD23 LEU 23 HD23 LEU 23 3.650 -7.808 7.099 157 H ASP 24 H ASP 24 0.905 -10.458 4.852 158 HA ASP 24 HA ASP 24 2.141 -12.362 3.205 159 HB2 ASP 24 HB2 ASP 24 1.309 -12.866 5.459 160 HB3 ASP 24 HB3 ASP 24 -0.352 -12.792 4.878 161 H TYR 25 H TYR 25 -1.225 -11.147 3.206 162 HA TYR 25 HA TYR 25 -2.098 -12.707 0.987 163 HB2 TYR 25 HB2 TYR 25 -3.082 -9.965 1.830 164 HB3 TYR 25 HB3 TYR 25 -3.972 -11.147 0.893 165 HD1 TYR 25 HD1 TYR 25 -4.849 -9.737 3.451 166 HD2 TYR 25 HD2 TYR 25 -2.953 -13.577 2.873 167 HE1 TYR 25 HE1 TYR 25 -5.755 -10.510 5.607 168 HE2 TYR 25 HE2 TYR 25 -3.827 -14.340 5.015 169 HH TYR 25 HH TYR 25 -5.275 -13.851 6.792 170 H PHE 26 H PHE 26 -0.858 -9.268 1.062 171 HA PHE 26 HA PHE 26 -0.957 -8.903 -1.699 172 HB2 PHE 26 HB2 PHE 26 0.210 -7.610 0.664 173 HB3 PHE 26 HB3 PHE 26 1.210 -7.398 -0.718 174 HD1 PHE 26 HD1 PHE 26 0.273 -6.248 -2.835 175 HD2 PHE 26 HD2 PHE 26 -2.012 -6.691 0.817 176 HE1 PHE 26 HE1 PHE 26 -1.142 -4.372 -3.515 177 HE2 PHE 26 HE2 PHE 26 -3.512 -4.887 0.076 178 HZ PHE 26 HZ PHE 26 -3.066 -3.686 -2.084 179 H THR 27 H THR 27 1.808 -10.242 0.209 180 HA THR 27 HA THR 27 3.496 -10.434 -2.114 181 HB THR 27 HB THR 27 4.292 -10.241 0.223 182 HG1 THR 27 HG1 THR 27 5.924 -10.801 -0.882 183 HG21 THR 27 HG21 THR 27 2.860 -11.890 1.326 184 HG22 THR 27 HG22 THR 27 4.554 -12.132 1.668 185 HG23 THR 27 HG23 THR 27 3.720 -13.207 0.514 186 H THR 28 H THR 28 1.039 -12.595 -0.634 187 HA THR 28 HA THR 28 1.658 -14.868 -2.269 188 HB THR 28 HB THR 28 -0.891 -14.106 -0.783 189 HG1 THR 28 HG1 THR 28 0.665 -14.263 0.677 190 HG21 THR 28 HG21 THR 28 0.119 -16.841 -1.667 191 HG22 THR 28 HG22 THR 28 -1.258 -15.954 -2.375 192 HG23 THR 28 HG23 THR 28 -1.331 -16.504 -0.691 193 H GLN 29 H GLN 29 -0.143 -11.872 -2.902 194 HA GLN 29 HA GLN 29 -1.440 -12.928 -5.317 195 HB2 GLN 29 HB2 GLN 29 -1.246 -10.211 -3.965 196 HB3 GLN 29 HB3 GLN 29 -2.119 -10.510 -5.469 197 HG2 GLN 29 HG2 GLN 29 -2.825 -12.069 -2.971 198 HG3 GLN 29 HG3 GLN 29 -3.467 -10.453 -3.284 199 HE21 GLN 29 HE21 GLN 29 -4.275 -13.633 -3.617 200 HE22 GLN 29 HE22 GLN 29 -5.321 -13.520 -5.019 201 H GLY 30 H GLY 30 1.567 -11.314 -4.433 202 HA2 GLY 30 HA2 GLY 30 3.401 -10.741 -5.648 203 HA3 GLY 30 HA3 GLY 30 2.695 -11.582 -7.025 204 H LEU 31 H LEU 31 1.328 -8.753 -5.336 205 HA LEU 31 HA LEU 31 1.926 -6.945 -7.630 206 HB2 LEU 31 HB2 LEU 31 -0.563 -6.226 -7.363 207 HB3 LEU 31 HB3 LEU 31 -0.174 -7.693 -8.261 208 HG LEU 31 HG LEU 31 -0.756 -9.059 -6.287 209 HD11 LEU 31 HD11 LEU 31 -0.373 -7.619 -4.417 210 HD12 LEU 31 HD12 LEU 31 -2.083 -8.016 -4.437 211 HD13 LEU 31 HD13 LEU 31 -1.559 -6.427 -5.022 212 HD21 LEU 31 HD21 LEU 31 -2.391 -8.752 -7.944 213 HD22 LEU 31 HD22 LEU 31 -2.928 -7.209 -7.214 214 HD23 LEU 31 HD23 LEU 31 -3.151 -8.755 -6.339 215 H THR 32 H THR 32 3.021 -7.101 -4.854 216 HA THR 32 HA THR 32 1.753 -4.821 -3.460 217 HB THR 32 HB THR 32 2.230 -6.795 -2.292 218 HG1 THR 32 HG1 THR 32 2.600 -5.138 -0.992 219 HG21 THR 32 HG21 THR 32 5.103 -6.779 -3.147 220 HG22 THR 32 HG22 THR 32 3.851 -8.008 -3.464 221 HG23 THR 32 HG23 THR 32 4.414 -7.760 -1.824 222 H THR 33 H THR 33 2.325 -2.712 -3.908 223 HA THR 33 HA THR 33 5.058 -2.047 -4.123 224 HB THR 33 HB THR 33 5.108 -2.400 -6.401 225 HG1 THR 33 HG1 THR 33 4.749 -0.596 -7.547 226 HG21 THR 33 HG21 THR 33 3.040 -3.656 -6.664 227 HG22 THR 33 HG22 THR 33 3.108 -2.419 -7.901 228 HG23 THR 33 HG23 THR 33 2.021 -2.248 -6.485 229 H ILE 34 H ILE 34 5.417 0.245 -3.962 230 HA ILE 34 HA ILE 34 3.229 1.656 -2.656 231 HB ILE 34 HB ILE 34 5.849 3.014 -3.054 232 HG12 ILE 34 HG12 ILE 34 5.492 0.518 -1.376 233 HG13 ILE 34 HG13 ILE 34 6.824 0.976 -2.434 234 HG21 ILE 34 HG21 ILE 34 4.022 2.742 -0.620 235 HG22 ILE 34 HG22 ILE 34 5.283 3.952 -0.892 236 HG23 ILE 34 HG23 ILE 34 3.825 3.989 -1.881 237 HD11 ILE 34 HD11 ILE 34 6.201 2.004 0.361 238 HD12 ILE 34 HD12 ILE 34 7.608 1.086 -0.177 239 HD13 ILE 34 HD13 ILE 34 7.405 2.773 -0.691 240 H TYR 35 H TYR 35 5.201 2.161 -5.545 241 HA TYR 35 HA TYR 35 4.061 4.537 -6.435 242 HB2 TYR 35 HB2 TYR 35 5.261 2.213 -8.009 243 HB3 TYR 35 HB3 TYR 35 4.970 3.828 -8.648 244 HD1 TYR 35 HD1 TYR 35 7.038 1.864 -6.210 245 HD2 TYR 35 HD2 TYR 35 6.378 5.705 -8.083 246 HE1 TYR 35 HE1 TYR 35 9.063 2.729 -5.141 247 HE2 TYR 35 HE2 TYR 35 8.480 6.530 -7.121 248 HH TYR 35 HH TYR 35 10.608 4.507 -5.019 249 H GLN 36 H GLN 36 2.862 1.263 -6.628 250 HA GLN 36 HA GLN 36 0.931 1.956 -8.763 251 HB2 GLN 36 HB2 GLN 36 1.290 -0.503 -7.038 252 HB3 GLN 36 HB3 GLN 36 -0.083 -0.285 -8.103 253 HG2 GLN 36 HG2 GLN 36 1.509 0.239 -10.018 254 HG3 GLN 36 HG3 GLN 36 2.767 -0.487 -9.030 255 HE21 GLN 36 HE21 GLN 36 1.360 -1.266 -11.676 256 HE22 GLN 36 HE22 GLN 36 0.801 -2.916 -11.378 257 H ILE 37 H ILE 37 0.627 1.364 -5.190 258 HA ILE 37 HA ILE 37 -2.148 2.030 -5.168 259 HB ILE 37 HB ILE 37 -1.953 2.196 -2.763 260 HG12 ILE 37 HG12 ILE 37 1.007 1.618 -3.173 261 HG13 ILE 37 HG13 ILE 37 0.360 3.202 -2.751 262 HG21 ILE 37 HG21 ILE 37 -1.271 -0.207 -2.475 263 HG22 ILE 37 HG22 ILE 37 -2.329 0.052 -3.884 264 HG23 ILE 37 HG23 ILE 37 -0.595 -0.186 -4.107 265 HD11 ILE 37 HD11 ILE 37 0.242 0.665 -1.121 266 HD12 ILE 37 HD12 ILE 37 1.092 2.184 -0.739 267 HD13 ILE 37 HD13 ILE 37 -0.684 2.131 -0.719 268 H GLU 38 H GLU 38 0.596 4.115 -5.438 269 HA GLU 38 HA GLU 38 -0.600 6.461 -4.331 270 HB2 GLU 38 HB2 GLU 38 1.603 5.874 -6.325 271 HB3 GLU 38 HB3 GLU 38 1.092 7.534 -6.056 272 HG2 GLU 38 HG2 GLU 38 1.752 5.784 -3.660 273 HG3 GLU 38 HG3 GLU 38 3.054 6.488 -4.628 274 H HIS 39 H HIS 39 -1.124 4.693 -7.350 275 HA HIS 39 HA HIS 39 -2.952 6.866 -8.263 276 HB2 HIS 39 HB2 HIS 39 -0.860 6.308 -9.632 277 HB3 HIS 39 HB3 HIS 39 -1.649 4.778 -10.026 278 HD1 HIS 39 HD1 HIS 39 -2.911 8.483 -9.984 279 HD2 HIS 39 HD2 HIS 39 -2.705 5.007 -12.361 280 HE1 HIS 39 HE1 HIS 39 -4.076 9.045 -12.176 281 H TYR 40 H TYR 40 -2.723 3.488 -7.398 282 HA TYR 40 HA TYR 40 -5.260 2.689 -8.544 283 HB2 TYR 40 HB2 TYR 40 -3.396 1.384 -6.511 284 HB3 TYR 40 HB3 TYR 40 -4.992 0.766 -6.804 285 HD1 TYR 40 HD1 TYR 40 -1.962 -0.554 -7.303 286 HD2 TYR 40 HD2 TYR 40 -5.218 1.080 -9.768 287 HE1 TYR 40 HE1 TYR 40 -1.607 -2.250 -9.035 288 HE2 TYR 40 HE2 TYR 40 -4.853 -0.618 -11.380 289 HH TYR 40 HH TYR 40 -4.071 -3.089 -10.929 290 H SER 41 H SER 41 -6.889 3.992 -7.934 291 HA SER 41 HA SER 41 -7.260 5.070 -5.353 292 HB2 SER 41 HB2 SER 41 -9.269 4.597 -7.598 293 HB3 SER 41 HB3 SER 41 -9.486 5.697 -6.230 294 HG SER 41 HG SER 41 -8.199 6.107 -8.560 295 H MET 42 H MET 42 -9.245 4.702 -4.034 296 HA MET 42 HA MET 42 -9.262 2.215 -2.838 297 HB2 MET 42 HB2 MET 42 -11.305 2.968 -1.690 298 HB3 MET 42 HB3 MET 42 -10.032 4.184 -1.708 299 HG2 MET 42 HG2 MET 42 -11.227 5.367 -3.556 300 HG3 MET 42 HG3 MET 42 -12.494 4.137 -3.492 301 HE1 MET 42 HE1 MET 42 -14.443 5.757 -3.160 302 HE2 MET 42 HE2 MET 42 -14.422 7.140 -2.040 303 HE3 MET 42 HE3 MET 42 -13.280 7.079 -3.407 304 H ASP 43 H ASP 43 -11.051 3.056 -5.726 305 HA ASP 43 HA ASP 43 -13.034 0.943 -5.524 306 HB2 ASP 43 HB2 ASP 43 -12.129 2.717 -7.828 307 HB3 ASP 43 HB3 ASP 43 -13.513 1.605 -7.865 308 H ASP 44 H ASP 44 -9.825 1.339 -7.092 309 HA ASP 44 HA ASP 44 -9.880 -1.215 -8.465 310 HB2 ASP 44 HB2 ASP 44 -7.974 1.008 -8.085 311 HB3 ASP 44 HB3 ASP 44 -7.178 -0.552 -7.891 312 H LEU 45 H LEU 45 -8.659 0.045 -5.381 313 HA LEU 45 HA LEU 45 -7.434 -2.319 -4.408 314 HB2 LEU 45 HB2 LEU 45 -8.913 -0.237 -2.757 315 HB3 LEU 45 HB3 LEU 45 -7.837 -1.489 -2.146 316 HG LEU 45 HG LEU 45 -7.151 1.014 -3.701 317 HD11 LEU 45 HD11 LEU 45 -7.257 1.246 -1.315 318 HD12 LEU 45 HD12 LEU 45 -5.554 1.255 -1.774 319 HD13 LEU 45 HD13 LEU 45 -6.253 -0.205 -1.061 320 HD21 LEU 45 HD21 LEU 45 -5.313 -1.384 -3.321 321 HD22 LEU 45 HD22 LEU 45 -4.793 0.265 -3.803 322 HD23 LEU 45 HD23 LEU 45 -5.844 -0.669 -4.856 323 H ALA 46 H ALA 46 -10.852 -1.197 -3.950 324 HA ALA 46 HA ALA 46 -11.712 -3.508 -2.603 325 HB1 ALA 46 HB1 ALA 46 -13.959 -2.837 -3.262 326 HB2 ALA 46 HB2 ALA 46 -13.012 -1.404 -2.818 327 HB3 ALA 46 HB3 ALA 46 -13.312 -1.770 -4.531 328 H SER 47 H SER 47 -11.477 -2.936 -6.124 329 HA SER 47 HA SER 47 -12.726 -5.292 -7.033 330 HB2 SER 47 HB2 SER 47 -11.880 -3.193 -8.312 331 HB3 SER 47 HB3 SER 47 -10.301 -3.986 -8.345 332 HG SER 47 HG SER 47 -11.030 -4.812 -10.063 333 H LEU 48 H LEU 48 -9.423 -4.768 -5.872 334 HA LEU 48 HA LEU 48 -8.360 -7.332 -6.680 335 HB2 LEU 48 HB2 LEU 48 -7.333 -5.138 -4.882 336 HB3 LEU 48 HB3 LEU 48 -6.384 -6.558 -5.297 337 HG LEU 48 HG LEU 48 -7.560 -4.775 -7.473 338 HD11 LEU 48 HD11 LEU 48 -6.254 -3.356 -6.016 339 HD12 LEU 48 HD12 LEU 48 -5.385 -3.636 -7.532 340 HD13 LEU 48 HD13 LEU 48 -4.906 -4.527 -6.032 341 HD21 LEU 48 HD21 LEU 48 -6.774 -6.977 -8.222 342 HD22 LEU 48 HD22 LEU 48 -5.216 -6.726 -7.411 343 HD23 LEU 48 HD23 LEU 48 -5.688 -5.710 -8.791 344 H LYS 49 H LYS 49 -10.735 -7.483 -4.972 345 HA LYS 49 HA LYS 49 -11.601 -8.750 -3.411 346 HB2 LYS 49 HB2 LYS 49 -9.427 -10.289 -4.484 347 HB3 LYS 49 HB3 LYS 49 -9.363 -10.574 -2.777 348 HG2 LYS 49 HG2 LYS 49 -10.776 -12.261 -3.382 349 HG3 LYS 49 HG3 LYS 49 -11.970 -11.018 -3.048 350 HD2 LYS 49 HD2 LYS 49 -12.679 -11.860 -5.085 351 HD3 LYS 49 HD3 LYS 49 -11.759 -10.455 -5.613 352 HE2 LYS 49 HE2 LYS 49 -10.171 -12.969 -5.378 353 HE3 LYS 49 HE3 LYS 49 -11.502 -13.080 -6.526 354 HZ1 LYS 49 HZ1 LYS 49 -9.321 -11.095 -6.622 355 HZ2 LYS 49 HZ2 LYS 49 -10.596 -11.128 -7.670 356 HZ3 LYS 49 HZ3 LYS 49 -9.523 -12.390 -7.590 357 H ILE 50 H ILE 50 -10.403 -6.370 -2.553 358 HA ILE 50 HA ILE 50 -9.284 -6.889 0.160 359 HB ILE 50 HB ILE 50 -9.611 -4.287 -1.356 360 HG12 ILE 50 HG12 ILE 50 -8.133 -5.769 -2.697 361 HG13 ILE 50 HG13 ILE 50 -7.265 -4.435 -1.979 362 HG21 ILE 50 HG21 ILE 50 -9.224 -4.083 1.083 363 HG22 ILE 50 HG22 ILE 50 -7.823 -5.151 0.882 364 HG23 ILE 50 HG23 ILE 50 -7.815 -3.531 0.161 365 HD11 ILE 50 HD11 ILE 50 -7.266 -7.270 -0.887 366 HD12 ILE 50 HD12 ILE 50 -6.067 -6.578 -1.977 367 HD13 ILE 50 HD13 ILE 50 -6.220 -5.921 -0.353 368 HA PRO 51 HA PRO 51 -13.367 -5.734 1.752 369 HB2 PRO 51 HB2 PRO 51 -12.889 -5.751 4.427 370 HB3 PRO 51 HB3 PRO 51 -12.944 -7.262 3.463 371 HG2 PRO 51 HG2 PRO 51 -10.516 -5.708 4.347 372 HG3 PRO 51 HG3 PRO 51 -10.785 -7.477 4.430 373 HD2 PRO 51 HD2 PRO 51 -9.370 -6.260 2.400 374 HD3 PRO 51 HD3 PRO 51 -10.324 -7.746 2.146 375 H GLU 52 H GLU 52 -14.316 -3.731 2.754 376 HA GLU 52 HA GLU 52 -12.767 -1.468 2.037 377 HB2 GLU 52 HB2 GLU 52 -14.557 -0.094 2.652 378 HB3 GLU 52 HB3 GLU 52 -15.143 -1.533 1.837 379 HG2 GLU 52 HG2 GLU 52 -15.283 -2.233 4.562 380 HG3 GLU 52 HG3 GLU 52 -15.716 -0.519 4.553 381 H GLN 53 H GLN 53 -13.269 -2.817 5.324 382 HA GLN 53 HA GLN 53 -12.262 -0.583 6.703 383 HB2 GLN 53 HB2 GLN 53 -13.412 -2.585 7.664 384 HB3 GLN 53 HB3 GLN 53 -11.928 -3.508 7.522 385 HG2 GLN 53 HG2 GLN 53 -11.836 -0.876 9.012 386 HG3 GLN 53 HG3 GLN 53 -12.689 -2.222 9.756 387 HE21 GLN 53 HE21 GLN 53 -11.286 -2.894 11.448 388 HE22 GLN 53 HE22 GLN 53 -9.651 -3.398 11.131 389 H PHE 54 H PHE 54 -10.380 -3.486 5.603 390 HA PHE 54 HA PHE 54 -7.888 -2.321 6.432 391 HB2 PHE 54 HB2 PHE 54 -7.785 -4.634 6.256 392 HB3 PHE 54 HB3 PHE 54 -8.622 -4.664 4.709 393 HD1 PHE 54 HD1 PHE 54 -7.515 -4.645 2.749 394 HD2 PHE 54 HD2 PHE 54 -5.350 -3.544 6.270 395 HE1 PHE 54 HE1 PHE 54 -5.405 -4.491 1.389 396 HE2 PHE 54 HE2 PHE 54 -3.255 -3.428 4.975 397 HZ PHE 54 HZ PHE 54 -3.266 -3.909 2.520 398 H ARG 55 H ARG 55 -9.626 -2.375 3.273 399 HA ARG 55 HA ARG 55 -7.669 -1.144 1.683 400 HB2 ARG 55 HB2 ARG 55 -9.564 -1.908 0.601 401 HB3 ARG 55 HB3 ARG 55 -10.660 -1.182 1.757 402 HG2 ARG 55 HG2 ARG 55 -9.159 0.838 0.182 403 HG3 ARG 55 HG3 ARG 55 -10.132 -0.229 -0.799 404 HD2 ARG 55 HD2 ARG 55 -11.369 1.055 1.659 405 HD3 ARG 55 HD3 ARG 55 -11.207 1.962 0.155 406 HE ARG 55 HE ARG 55 -12.334 -0.677 -0.232 407 HH11 ARG 55 HH11 ARG 55 -13.321 2.646 0.679 408 HH12 ARG 55 HH12 ARG 55 -14.886 2.501 0.011 409 HH21 ARG 55 HH21 ARG 55 -14.427 -0.907 -0.994 410 HH22 ARG 55 HH22 ARG 55 -15.497 0.465 -1.094 411 H HIS 56 H HIS 56 -10.101 0.455 3.875 412 HA HIS 56 HA HIS 56 -9.165 3.067 3.214 413 HB2 HIS 56 HB2 HIS 56 -10.683 1.990 5.622 414 HB3 HIS 56 HB3 HIS 56 -10.270 3.694 5.417 415 HD1 HIS 56 HD1 HIS 56 -13.230 1.815 4.945 416 HD2 HIS 56 HD2 HIS 56 -10.935 4.389 2.499 417 HE1 HIS 56 HE1 HIS 56 -14.750 2.581 3.073 418 H ALA 57 H ALA 57 -7.898 0.648 5.582 419 HA ALA 57 HA ALA 57 -6.310 2.500 7.019 420 HB1 ALA 57 HB1 ALA 57 -5.843 -0.482 6.588 421 HB2 ALA 57 HB2 ALA 57 -5.222 0.522 7.902 422 HB3 ALA 57 HB3 ALA 57 -6.965 0.203 7.795 423 H ILE 58 H ILE 58 -5.454 0.243 4.274 424 HA ILE 58 HA ILE 58 -2.788 1.191 4.145 425 HB ILE 58 HB ILE 58 -3.186 -0.899 3.259 426 HG12 ILE 58 HG12 ILE 58 -2.477 -0.861 0.986 427 HG13 ILE 58 HG13 ILE 58 -3.190 0.733 0.672 428 HG21 ILE 58 HG21 ILE 58 -4.651 -1.504 1.360 429 HG22 ILE 58 HG22 ILE 58 -5.519 -1.056 2.800 430 HG23 ILE 58 HG23 ILE 58 -5.403 0.089 1.438 431 HD11 ILE 58 HD11 ILE 58 -0.547 0.305 1.077 432 HD12 ILE 58 HD12 ILE 58 -1.345 1.829 1.430 433 HD13 ILE 58 HD13 ILE 58 -1.041 0.675 2.741 434 H TRP 59 H TRP 59 -5.685 1.980 2.190 435 HA TRP 59 HA TRP 59 -4.366 3.861 0.564 436 HB2 TRP 59 HB2 TRP 59 -6.729 2.773 0.377 437 HB3 TRP 59 HB3 TRP 59 -7.272 4.215 1.226 438 HD1 TRP 59 HD1 TRP 59 -5.061 3.313 -1.860 439 HE1 TRP 59 HE1 TRP 59 -5.544 4.974 -3.760 440 HE3 TRP 59 HE3 TRP 59 -8.109 6.507 0.643 441 HZ2 TRP 59 HZ2 TRP 59 -7.224 7.271 -4.195 442 HZ3 TRP 59 HZ3 TRP 59 -9.167 8.450 -0.533 443 HH2 TRP 59 HH2 TRP 59 -8.742 8.800 -2.964 444 H LYS 60 H LYS 60 -6.015 4.353 3.739 445 HA LYS 60 HA LYS 60 -5.652 7.181 3.773 446 HB2 LYS 60 HB2 LYS 60 -7.095 5.933 5.378 447 HB3 LYS 60 HB3 LYS 60 -5.668 5.225 6.133 448 HG2 LYS 60 HG2 LYS 60 -5.647 8.198 5.955 449 HG3 LYS 60 HG3 LYS 60 -7.063 7.525 6.776 450 HD2 LYS 60 HD2 LYS 60 -5.569 6.257 8.323 451 HD3 LYS 60 HD3 LYS 60 -4.159 6.988 7.527 452 HE2 LYS 60 HE2 LYS 60 -4.801 8.164 9.626 453 HE3 LYS 60 HE3 LYS 60 -4.844 9.214 8.204 454 HZ1 LYS 60 HZ1 LYS 60 -6.754 9.429 9.716 455 HZ2 LYS 60 HZ2 LYS 60 -7.249 7.917 9.357 456 HZ3 LYS 60 HZ3 LYS 60 -7.218 9.057 8.168 457 H GLY 61 H GLY 61 -3.504 4.460 4.751 458 HA2 GLY 61 HA2 GLY 61 -1.542 6.101 5.986 459 HA3 GLY 61 HA3 GLY 61 -1.241 4.495 5.278 460 H ILE 62 H ILE 62 -1.593 4.798 2.642 461 HA ILE 62 HA ILE 62 0.798 6.205 1.970 462 HB ILE 62 HB ILE 62 0.088 4.322 0.847 463 HG12 ILE 62 HG12 ILE 62 0.565 4.985 -1.535 464 HG13 ILE 62 HG13 ILE 62 0.271 6.663 -1.109 465 HG21 ILE 62 HG21 ILE 62 -2.314 4.534 0.656 466 HG22 ILE 62 HG22 ILE 62 -2.131 5.836 -0.534 467 HG23 ILE 62 HG23 ILE 62 -1.620 4.205 -0.937 468 HD11 ILE 62 HD11 ILE 62 2.242 6.657 0.362 469 HD12 ILE 62 HD12 ILE 62 2.465 4.913 0.085 470 HD13 ILE 62 HD13 ILE 62 2.685 6.075 -1.243 471 H LEU 63 H LEU 63 -2.641 7.065 1.458 472 HA LEU 63 HA LEU 63 -2.020 9.508 0.089 473 HB2 LEU 63 HB2 LEU 63 -4.453 8.512 1.547 474 HB3 LEU 63 HB3 LEU 63 -4.334 10.216 1.197 475 HG LEU 63 HG LEU 63 -5.622 9.016 -0.515 476 HD11 LEU 63 HD11 LEU 63 -4.640 10.073 -2.437 477 HD12 LEU 63 HD12 LEU 63 -3.052 10.159 -1.656 478 HD13 LEU 63 HD13 LEU 63 -4.404 11.132 -1.027 479 HD21 LEU 63 HD21 LEU 63 -3.008 7.723 -1.371 480 HD22 LEU 63 HD22 LEU 63 -4.557 7.641 -2.215 481 HD23 LEU 63 HD23 LEU 63 -4.385 6.873 -0.639 482 H ASP 64 H ASP 64 -1.994 8.599 3.406 483 HA ASP 64 HA ASP 64 -1.892 11.356 4.467 484 HB2 ASP 64 HB2 ASP 64 -2.809 9.585 5.857 485 HB3 ASP 64 HB3 ASP 64 -1.266 8.715 5.837 486 H HIS 65 H HIS 65 0.402 8.869 3.624 487 HA HIS 65 HA HIS 65 2.784 10.126 4.633 488 HB2 HIS 65 HB2 HIS 65 2.843 7.753 4.171 489 HB3 HIS 65 HB3 HIS 65 2.239 7.986 2.542 490 HD1 HIS 65 HD1 HIS 65 5.513 8.718 4.490 491 HD2 HIS 65 HD2 HIS 65 3.942 8.287 0.591 492 HE1 HIS 65 HE1 HIS 65 7.512 8.646 2.890 493 H ARG 66 H ARG 66 1.447 9.821 1.287 494 HA ARG 66 HA ARG 66 3.233 11.779 0.234 495 HB2 ARG 66 HB2 ARG 66 1.919 11.629 -1.793 496 HB3 ARG 66 HB3 ARG 66 2.107 10.029 -1.097 497 HG2 ARG 66 HG2 ARG 66 -0.147 9.888 -1.448 498 HG3 ARG 66 HG3 ARG 66 -0.211 10.687 0.098 499 HD2 ARG 66 HD2 ARG 66 -1.717 11.874 -1.272 500 HD3 ARG 66 HD3 ARG 66 -0.298 12.899 -1.116 501 HE ARG 66 HE ARG 66 -0.562 11.002 -3.378 502 HH11 ARG 66 HH11 ARG 66 -0.447 14.432 -2.405 503 HH12 ARG 66 HH12 ARG 66 0.191 14.951 -3.947 504 HH21 ARG 66 HH21 ARG 66 0.160 11.759 -5.426 505 HH22 ARG 66 HH22 ARG 66 0.777 13.386 -5.506 506 H GLN 67 H GLN 67 0.130 12.256 2.013 507 HA GLN 67 HA GLN 67 -0.065 14.966 0.954 508 HB2 GLN 67 HB2 GLN 67 -2.078 13.819 1.699 509 HB3 GLN 67 HB3 GLN 67 -1.425 13.654 3.349 510 HG2 GLN 67 HG2 GLN 67 -1.350 16.048 3.595 511 HG3 GLN 67 HG3 GLN 67 -1.814 16.284 1.902 512 HE21 GLN 67 HE21 GLN 67 -3.159 17.731 3.541 513 HE22 GLN 67 HE22 GLN 67 -4.669 17.035 4.161 514 H LEU 68 H LEU 68 1.558 13.386 3.707 515 HA LEU 68 HA LEU 68 2.280 16.003 4.871 516 HB2 LEU 68 HB2 LEU 68 2.665 13.135 5.789 517 HB3 LEU 68 HB3 LEU 68 3.138 14.539 6.729 518 HG LEU 68 HG LEU 68 0.251 14.002 5.871 519 HD11 LEU 68 HD11 LEU 68 1.059 12.222 7.360 520 HD12 LEU 68 HD12 LEU 68 -0.105 13.262 8.185 521 HD13 LEU 68 HD13 LEU 68 1.639 13.438 8.510 522 HD21 LEU 68 HD21 LEU 68 1.384 15.913 7.942 523 HD22 LEU 68 HD22 LEU 68 -0.326 15.613 7.571 524 HD23 LEU 68 HD23 LEU 68 0.707 16.358 6.355 525 H HIS 69 H HIS 69 3.797 13.683 2.764 526 HA HIS 69 HA HIS 69 6.439 14.943 3.137 527 HB2 HIS 69 HB2 HIS 69 5.598 12.123 3.616 528 HB3 HIS 69 HB3 HIS 69 6.893 12.258 2.463 529 HD1 HIS 69 HD1 HIS 69 9.211 12.112 3.654 530 HD2 HIS 69 HD2 HIS 69 6.128 13.834 5.972 531 HE1 HIS 69 HE1 HIS 69 10.240 12.706 5.873 532 H ASP 70 H ASP 70 7.871 14.055 1.293 533 HA ASP 70 HA ASP 70 6.489 13.858 -1.309 534 HB2 ASP 70 HB2 ASP 70 6.983 16.283 -0.764 535 HB3 ASP 70 HB3 ASP 70 8.694 15.863 -0.674 Start of MODEL 10 1 H1 GLY 1 H GLY 1 24.279 -2.786 5.291 2 HA2 GLY 1 HA2 GLY 1 21.866 -1.274 6.121 3 HA3 GLY 1 HA3 GLY 1 22.130 -1.984 4.520 4 HA PRO 2 HA PRO 2 21.384 -5.589 7.622 5 HB2 PRO 2 HB2 PRO 2 19.874 -5.045 9.853 6 HB3 PRO 2 HB3 PRO 2 21.650 -4.888 9.813 7 HG2 PRO 2 HG2 PRO 2 19.592 -2.708 9.558 8 HG3 PRO 2 HG3 PRO 2 21.111 -2.697 10.486 9 HD2 PRO 2 HD2 PRO 2 20.817 -1.576 7.983 10 HD3 PRO 2 HD3 PRO 2 22.375 -2.210 8.583 11 H LEU 3 H LEU 3 18.984 -3.022 7.156 12 HA LEU 3 HA LEU 3 16.649 -4.647 7.123 13 HB2 LEU 3 HB2 LEU 3 17.357 -1.917 6.037 14 HB3 LEU 3 HB3 LEU 3 15.807 -2.639 5.649 15 HG LEU 3 HG LEU 3 15.662 -1.039 7.494 16 HD11 LEU 3 HD11 LEU 3 14.397 -2.403 9.100 17 HD12 LEU 3 HD12 LEU 3 15.052 -3.885 8.397 18 HD13 LEU 3 HD13 LEU 3 14.009 -2.813 7.431 19 HD21 LEU 3 HD21 LEU 3 17.881 -1.382 8.523 20 HD22 LEU 3 HD22 LEU 3 17.324 -2.973 9.142 21 HD23 LEU 3 HD23 LEU 3 16.564 -1.481 9.698 22 H GLY 4 H GLY 4 18.560 -3.290 4.336 23 HA2 GLY 4 HA2 GLY 4 18.871 -5.537 2.838 24 HA3 GLY 4 HA3 GLY 4 17.236 -4.966 2.426 25 H SER 5 H SER 5 18.249 -4.631 0.256 26 HA SER 5 HA SER 5 20.227 -2.556 -0.154 27 HB2 SER 5 HB2 SER 5 18.309 -3.936 -2.084 28 HB3 SER 5 HB3 SER 5 19.755 -3.032 -2.515 29 HG SER 5 HG SER 5 20.806 -4.675 -0.969 30 H THR 6 H THR 6 19.390 -0.837 -2.081 31 HA THR 6 HA THR 6 17.353 0.723 -0.703 32 HB THR 6 HB THR 6 17.889 2.297 -2.713 33 HG1 THR 6 HG1 THR 6 20.052 2.003 -3.379 34 HG21 THR 6 HG21 THR 6 18.523 2.597 -0.317 35 HG22 THR 6 HG22 THR 6 19.728 3.214 -1.442 36 HG23 THR 6 HG23 THR 6 20.010 1.671 -0.628 37 H ASP 7 H ASP 7 15.729 -0.821 -0.882 38 HA ASP 7 HA ASP 7 14.227 -0.823 -3.442 39 HB2 ASP 7 HB2 ASP 7 13.314 -2.970 -2.880 40 HB3 ASP 7 HB3 ASP 7 15.066 -3.084 -2.925 41 H CYS 8 H CYS 8 11.795 -1.089 -2.939 42 HA CYS 8 HA CYS 8 10.882 -0.070 -0.406 43 HB2 CYS 8 HB2 CYS 8 11.765 1.942 -1.883 44 HB3 CYS 8 HB3 CYS 8 10.298 1.671 -2.838 45 HG CYS 8 HG CYS 8 10.686 2.273 0.401 46 H SER 9 H SER 9 9.008 -1.311 -0.215 47 HA SER 9 HA SER 9 7.197 -1.673 -2.469 48 HB2 SER 9 HB2 SER 9 8.833 -3.489 -2.760 49 HB3 SER 9 HB3 SER 9 8.579 -4.025 -1.105 50 HG SER 9 HG SER 9 7.296 -4.737 -3.270 51 H ILE 10 H ILE 10 5.107 -2.515 -1.610 52 HA ILE 10 HA ILE 10 4.219 -1.153 0.639 53 HB ILE 10 HB ILE 10 2.894 -3.678 -0.388 54 HG12 ILE 10 HG12 ILE 10 2.535 -0.842 -1.439 55 HG13 ILE 10 HG13 ILE 10 3.429 -2.123 -2.223 56 HG21 ILE 10 HG21 ILE 10 0.843 -2.657 0.409 57 HG22 ILE 10 HG22 ILE 10 1.989 -2.623 1.735 58 HG23 ILE 10 HG23 ILE 10 1.685 -1.150 0.802 59 HD11 ILE 10 HD11 ILE 10 1.276 -2.196 -3.247 60 HD12 ILE 10 HD12 ILE 10 1.351 -3.556 -2.126 61 HD13 ILE 10 HD13 ILE 10 0.444 -2.095 -1.691 62 H VAL 11 H VAL 11 5.713 -4.264 0.507 63 HA VAL 11 HA VAL 11 4.958 -5.322 3.037 64 HB VAL 11 HB VAL 11 7.339 -6.247 3.120 65 HG11 VAL 11 HG11 VAL 11 6.804 -7.895 1.348 66 HG12 VAL 11 HG12 VAL 11 5.357 -7.481 2.278 67 HG13 VAL 11 HG13 VAL 11 5.595 -6.781 0.666 68 HG21 VAL 11 HG21 VAL 11 8.644 -6.285 1.080 69 HG22 VAL 11 HG22 VAL 11 7.475 -5.271 0.238 70 HG23 VAL 11 HG23 VAL 11 8.466 -4.605 1.567 71 H SER 12 H SER 12 7.559 -2.953 2.372 72 HA SER 12 HA SER 12 8.382 -2.624 5.071 73 HB2 SER 12 HB2 SER 12 9.596 -2.085 2.923 74 HB3 SER 12 HB3 SER 12 8.548 -0.675 2.722 75 HG SER 12 HG SER 12 10.642 -0.387 3.632 76 H PHE 13 H PHE 13 6.011 -0.903 3.004 77 HA PHE 13 HA PHE 13 5.386 1.157 4.886 78 HB2 PHE 13 HB2 PHE 13 4.710 1.366 2.584 79 HB3 PHE 13 HB3 PHE 13 3.768 -0.116 2.647 80 HD1 PHE 13 HD1 PHE 13 1.574 0.541 2.122 81 HD2 PHE 13 HD2 PHE 13 3.809 2.817 4.999 82 HE1 PHE 13 HE1 PHE 13 -0.467 1.862 2.689 83 HE2 PHE 13 HE2 PHE 13 1.776 4.156 5.520 84 HZ PHE 13 HZ PHE 13 -0.372 3.592 4.396 85 H PHE 14 H PHE 14 3.959 -2.082 4.352 86 HA PHE 14 HA PHE 14 2.046 -1.909 6.433 87 HB2 PHE 14 HB2 PHE 14 3.359 -4.271 5.056 88 HB3 PHE 14 HB3 PHE 14 2.103 -4.441 6.258 89 HD1 PHE 14 HD1 PHE 14 2.075 -5.457 3.404 90 HD2 PHE 14 HD2 PHE 14 0.457 -1.856 5.124 91 HE1 PHE 14 HE1 PHE 14 0.262 -5.452 1.710 92 HE2 PHE 14 HE2 PHE 14 -1.232 -1.759 3.360 93 HZ PHE 14 HZ PHE 14 -1.374 -3.617 1.677 94 H ALA 15 H ALA 15 5.404 -3.222 6.465 95 HA ALA 15 HA ALA 15 5.356 -4.157 9.132 96 HB1 ALA 15 HB1 ALA 15 7.697 -2.953 7.583 97 HB2 ALA 15 HB2 ALA 15 7.810 -3.983 9.023 98 HB3 ALA 15 HB3 ALA 15 7.162 -4.647 7.510 99 H ARG 16 H ARG 16 5.757 -0.847 7.854 100 HA ARG 16 HA ARG 16 6.527 0.272 10.426 101 HB2 ARG 16 HB2 ARG 16 5.482 1.538 7.858 102 HB3 ARG 16 HB3 ARG 16 5.960 2.469 9.277 103 HG2 ARG 16 HG2 ARG 16 7.831 0.534 7.834 104 HG3 ARG 16 HG3 ARG 16 7.710 2.254 7.464 105 HD2 ARG 16 HD2 ARG 16 8.399 2.835 9.727 106 HD3 ARG 16 HD3 ARG 16 8.371 1.128 10.212 107 HE ARG 16 HE ARG 16 10.135 1.080 8.168 108 HH11 ARG 16 HH11 ARG 16 9.857 2.692 11.313 109 HH12 ARG 16 HH12 ARG 16 11.534 3.063 11.485 110 HH21 ARG 16 HH21 ARG 16 12.457 1.306 8.549 111 HH22 ARG 16 HH22 ARG 16 13.032 2.229 9.900 112 H LEU 17 H LEU 17 3.458 0.199 8.587 113 HA LEU 17 HA LEU 17 1.855 1.456 10.574 114 HB2 LEU 17 HB2 LEU 17 1.074 -0.707 8.575 115 HB3 LEU 17 HB3 LEU 17 -0.070 0.289 9.462 116 HG LEU 17 HG LEU 17 1.965 1.404 7.550 117 HD11 LEU 17 HD11 LEU 17 -0.744 0.248 7.123 118 HD12 LEU 17 HD12 LEU 17 0.715 0.152 6.097 119 HD13 LEU 17 HD13 LEU 17 -0.275 1.622 6.113 120 HD21 LEU 17 HD21 LEU 17 0.487 3.398 7.488 121 HD22 LEU 17 HD22 LEU 17 1.016 3.076 9.150 122 HD23 LEU 17 HD23 LEU 17 -0.613 2.615 8.634 123 H GLY 18 H GLY 18 2.783 -1.967 10.201 124 HA2 GLY 18 HA2 GLY 18 2.946 -3.406 12.068 125 HA3 GLY 18 HA3 GLY 18 1.539 -2.629 12.813 126 H CYS 19 H CYS 19 1.491 -3.215 9.328 127 HA CYS 19 HA CYS 19 -0.731 -5.150 9.747 128 HB2 CYS 19 HB2 CYS 19 -0.962 -3.046 8.325 129 HB3 CYS 19 HB3 CYS 19 -0.034 -3.954 7.098 130 HG CYS 19 HG CYS 19 -1.575 -5.841 6.783 131 H SER 20 H SER 20 -0.766 -7.200 9.216 132 HA SER 20 HA SER 20 1.769 -8.392 8.240 133 HB2 SER 20 HB2 SER 20 -0.062 -9.867 10.098 134 HB3 SER 20 HB3 SER 20 1.674 -10.044 9.803 135 HG SER 20 HG SER 20 2.043 -8.166 10.910 136 H SER 21 H SER 21 -1.697 -9.547 8.666 137 HA SER 21 HA SER 21 -1.565 -11.444 6.741 138 HB2 SER 21 HB2 SER 21 -4.108 -9.877 6.902 139 HB3 SER 21 HB3 SER 21 -3.847 -11.613 6.905 140 HG SER 21 HG SER 21 -4.456 -11.132 8.897 141 H CYS 22 H CYS 22 -2.203 -7.918 6.099 142 HA CYS 22 HA CYS 22 -2.902 -8.546 3.403 143 HB2 CYS 22 HB2 CYS 22 -3.393 -6.339 4.841 144 HB3 CYS 22 HB3 CYS 22 -1.931 -5.784 3.985 145 HG CYS 22 HG CYS 22 -3.902 -4.988 2.550 146 H LEU 23 H LEU 23 0.211 -7.886 4.977 147 HA LEU 23 HA LEU 23 1.606 -7.446 2.507 148 HB2 LEU 23 HB2 LEU 23 3.524 -7.364 3.685 149 HB3 LEU 23 HB3 LEU 23 2.411 -7.114 4.988 150 HG LEU 23 HG LEU 23 2.672 -9.733 5.364 151 HD11 LEU 23 HD11 LEU 23 4.068 -10.173 3.318 152 HD12 LEU 23 HD12 LEU 23 4.890 -10.574 4.814 153 HD13 LEU 23 HD13 LEU 23 5.298 -9.073 3.959 154 HD21 LEU 23 HD21 LEU 23 4.521 -9.255 6.881 155 HD22 LEU 23 HD22 LEU 23 3.339 -7.941 6.907 156 HD23 LEU 23 HD23 LEU 23 4.861 -7.729 6.029 157 H ASP 24 H ASP 24 0.841 -10.379 4.365 158 HA ASP 24 HA ASP 24 2.187 -12.216 2.689 159 HB2 ASP 24 HB2 ASP 24 1.220 -12.665 4.958 160 HB3 ASP 24 HB3 ASP 24 -0.394 -12.622 4.265 161 H TYR 25 H TYR 25 -1.133 -10.901 2.486 162 HA TYR 25 HA TYR 25 -1.931 -12.508 0.236 163 HB2 TYR 25 HB2 TYR 25 -2.912 -9.751 1.038 164 HB3 TYR 25 HB3 TYR 25 -3.726 -10.882 -0.035 165 HD1 TYR 25 HD1 TYR 25 -4.661 -9.489 2.640 166 HD2 TYR 25 HD2 TYR 25 -3.214 -13.448 1.730 167 HE1 TYR 25 HE1 TYR 25 -6.007 -10.409 4.499 168 HE2 TYR 25 HE2 TYR 25 -4.524 -14.370 3.571 169 HH TYR 25 HH TYR 25 -6.875 -12.391 5.412 170 H PHE 26 H PHE 26 -0.722 -9.119 0.414 171 HA PHE 26 HA PHE 26 -0.527 -8.620 -2.318 172 HB2 PHE 26 HB2 PHE 26 0.577 -7.517 0.229 173 HB3 PHE 26 HB3 PHE 26 1.559 -7.219 -1.137 174 HD1 PHE 26 HD1 PHE 26 0.672 -6.037 -3.154 175 HD2 PHE 26 HD2 PHE 26 -1.612 -6.374 0.470 176 HE1 PHE 26 HE1 PHE 26 -0.738 -4.154 -3.885 177 HE2 PHE 26 HE2 PHE 26 -3.034 -4.497 -0.256 178 HZ PHE 26 HZ PHE 26 -2.621 -3.377 -2.465 179 H THR 27 H THR 27 2.025 -10.135 -0.206 180 HA THR 27 HA THR 27 3.937 -10.133 -2.350 181 HB THR 27 HB THR 27 5.283 -11.557 -0.891 182 HG1 THR 27 HG1 THR 27 4.528 -11.900 1.239 183 HG21 THR 27 HG21 THR 27 5.516 -9.198 -0.591 184 HG22 THR 27 HG22 THR 27 5.491 -9.931 1.017 185 HG23 THR 27 HG23 THR 27 4.063 -9.086 0.421 186 H THR 28 H THR 28 1.606 -12.620 -1.155 187 HA THR 28 HA THR 28 2.579 -14.626 -2.933 188 HB THR 28 HB THR 28 0.660 -14.458 -0.909 189 HG1 THR 28 HG1 THR 28 2.039 -16.166 -1.283 190 HG21 THR 28 HG21 THR 28 -0.754 -15.432 -3.420 191 HG22 THR 28 HG22 THR 28 -1.208 -14.017 -2.431 192 HG23 THR 28 HG23 THR 28 -1.306 -15.647 -1.754 193 H GLN 29 H GLN 29 0.287 -11.926 -3.436 194 HA GLN 29 HA GLN 29 -0.588 -12.872 -6.028 195 HB2 GLN 29 HB2 GLN 29 -0.725 -10.157 -4.653 196 HB3 GLN 29 HB3 GLN 29 -1.546 -10.581 -6.170 197 HG2 GLN 29 HG2 GLN 29 -2.132 -12.142 -3.667 198 HG3 GLN 29 HG3 GLN 29 -2.931 -10.612 -4.014 199 HE21 GLN 29 HE21 GLN 29 -4.909 -10.842 -5.183 200 HE22 GLN 29 HE22 GLN 29 -5.270 -12.295 -6.059 201 H GLY 30 H GLY 30 2.254 -11.231 -4.988 202 HA2 GLY 30 HA2 GLY 30 4.112 -10.474 -6.182 203 HA3 GLY 30 HA3 GLY 30 3.427 -11.248 -7.601 204 H LEU 31 H LEU 31 1.855 -8.692 -5.722 205 HA LEU 31 HA LEU 31 2.354 -6.701 -7.877 206 HB2 LEU 31 HB2 LEU 31 -0.098 -6.071 -7.692 207 HB3 LEU 31 HB3 LEU 31 0.306 -7.557 -8.508 208 HG LEU 31 HG LEU 31 -0.256 -8.844 -6.474 209 HD11 LEU 31 HD11 LEU 31 -1.290 -6.185 -5.447 210 HD12 LEU 31 HD12 LEU 31 -0.114 -7.303 -4.698 211 HD13 LEU 31 HD13 LEU 31 -1.811 -7.764 -4.812 212 HD21 LEU 31 HD21 LEU 31 -2.654 -8.736 -6.807 213 HD22 LEU 31 HD22 LEU 31 -1.752 -8.698 -8.317 214 HD23 LEU 31 HD23 LEU 31 -2.471 -7.193 -7.676 215 H THR 32 H THR 32 3.506 -6.989 -5.141 216 HA THR 32 HA THR 32 2.286 -4.707 -3.710 217 HB THR 32 HB THR 32 2.898 -6.293 -2.218 218 HG1 THR 32 HG1 THR 32 5.354 -4.925 -2.140 219 HG21 THR 32 HG21 THR 32 5.065 -7.484 -2.055 220 HG22 THR 32 HG22 THR 32 5.495 -6.854 -3.656 221 HG23 THR 32 HG23 THR 32 4.085 -7.934 -3.453 222 H THR 33 H THR 33 2.787 -2.649 -4.159 223 HA THR 33 HA THR 33 5.520 -1.946 -4.480 224 HB THR 33 HB THR 33 5.525 -2.147 -6.764 225 HG1 THR 33 HG1 THR 33 5.288 -0.296 -7.611 226 HG21 THR 33 HG21 THR 33 3.513 -3.560 -6.979 227 HG22 THR 33 HG22 THR 33 3.558 -2.368 -8.252 228 HG23 THR 33 HG23 THR 33 2.445 -2.137 -6.874 229 H ILE 34 H ILE 34 5.821 0.287 -4.092 230 HA ILE 34 HA ILE 34 3.661 1.595 -2.646 231 HB ILE 34 HB ILE 34 6.400 2.753 -3.253 232 HG12 ILE 34 HG12 ILE 34 6.678 0.574 -2.089 233 HG13 ILE 34 HG13 ILE 34 7.210 1.960 -1.184 234 HG21 ILE 34 HG21 ILE 34 4.175 3.369 -1.253 235 HG22 ILE 34 HG22 ILE 34 5.835 3.879 -0.972 236 HG23 ILE 34 HG23 ILE 34 4.955 4.469 -2.405 237 HD11 ILE 34 HD11 ILE 34 4.561 0.537 -0.708 238 HD12 ILE 34 HD12 ILE 34 6.022 0.442 0.316 239 HD13 ILE 34 HD13 ILE 34 5.148 1.934 0.217 240 H TYR 35 H TYR 35 5.529 2.227 -5.570 241 HA TYR 35 HA TYR 35 4.435 4.675 -6.364 242 HB2 TYR 35 HB2 TYR 35 5.479 2.440 -8.150 243 HB3 TYR 35 HB3 TYR 35 5.406 4.151 -8.542 244 HD1 TYR 35 HD1 TYR 35 7.101 1.612 -6.375 245 HD2 TYR 35 HD2 TYR 35 7.144 5.697 -7.794 246 HE1 TYR 35 HE1 TYR 35 9.219 1.989 -5.185 247 HE2 TYR 35 HE2 TYR 35 9.335 6.028 -6.734 248 HH TYR 35 HH TYR 35 10.848 5.187 -5.160 249 H GLN 36 H GLN 36 3.150 1.427 -6.623 250 HA GLN 36 HA GLN 36 1.101 2.241 -8.611 251 HB2 GLN 36 HB2 GLN 36 1.632 -0.271 -7.083 252 HB3 GLN 36 HB3 GLN 36 0.204 -0.071 -8.087 253 HG2 GLN 36 HG2 GLN 36 3.019 0.072 -9.183 254 HG3 GLN 36 HG3 GLN 36 1.951 -1.344 -9.207 255 HE21 GLN 36 HE21 GLN 36 2.772 1.526 -10.942 256 HE22 GLN 36 HE22 GLN 36 1.465 1.339 -12.103 257 H ILE 37 H ILE 37 1.170 1.400 -5.021 258 HA ILE 37 HA ILE 37 -1.620 1.870 -4.760 259 HB ILE 37 HB ILE 37 -1.227 2.210 -2.321 260 HG12 ILE 37 HG12 ILE 37 1.624 1.514 -2.998 261 HG13 ILE 37 HG13 ILE 37 1.079 3.109 -2.481 262 HG21 ILE 37 HG21 ILE 37 -0.833 -0.159 -1.958 263 HG22 ILE 37 HG22 ILE 37 -1.779 0.047 -3.422 264 HG23 ILE 37 HG23 ILE 37 -0.041 -0.305 -3.537 265 HD11 ILE 37 HD11 ILE 37 0.371 2.166 -0.309 266 HD12 ILE 37 HD12 ILE 37 0.933 0.563 -0.830 267 HD13 ILE 37 HD13 ILE 37 2.100 1.881 -0.641 268 H GLU 38 H GLU 38 0.941 4.116 -5.209 269 HA GLU 38 HA GLU 38 -0.172 6.408 -4.018 270 HB2 GLU 38 HB2 GLU 38 2.161 5.940 -5.115 271 HB3 GLU 38 HB3 GLU 38 1.409 6.377 -6.636 272 HG2 GLU 38 HG2 GLU 38 1.417 8.209 -4.191 273 HG3 GLU 38 HG3 GLU 38 2.750 8.149 -5.338 274 H HIS 39 H HIS 39 -0.901 4.746 -7.107 275 HA HIS 39 HA HIS 39 -3.009 6.801 -7.619 276 HB2 HIS 39 HB2 HIS 39 -2.845 6.349 -9.907 277 HB3 HIS 39 HB3 HIS 39 -1.212 6.627 -9.321 278 HD1 HIS 39 HD1 HIS 39 -3.519 3.665 -10.360 279 HD2 HIS 39 HD2 HIS 39 0.533 4.731 -9.839 280 HE1 HIS 39 HE1 HIS 39 -2.122 1.673 -11.181 281 H TYR 40 H TYR 40 -2.511 3.365 -6.967 282 HA TYR 40 HA TYR 40 -4.942 2.483 -8.121 283 HB2 TYR 40 HB2 TYR 40 -3.065 1.339 -6.078 284 HB3 TYR 40 HB3 TYR 40 -4.680 0.690 -6.127 285 HD1 TYR 40 HD1 TYR 40 -1.577 -0.457 -7.111 286 HD2 TYR 40 HD2 TYR 40 -5.442 0.582 -8.895 287 HE1 TYR 40 HE1 TYR 40 -1.172 -1.910 -8.988 288 HE2 TYR 40 HE2 TYR 40 -4.946 -0.916 -10.769 289 HH TYR 40 HH TYR 40 -1.707 -2.353 -11.168 290 H SER 41 H SER 41 -6.895 3.259 -7.745 291 HA SER 41 HA SER 41 -7.567 4.615 -5.305 292 HB2 SER 41 HB2 SER 41 -9.354 3.730 -7.626 293 HB3 SER 41 HB3 SER 41 -9.692 5.019 -6.456 294 HG SER 41 HG SER 41 -8.896 5.834 -8.419 295 H MET 42 H MET 42 -9.772 4.145 -4.357 296 HA MET 42 HA MET 42 -9.695 1.881 -2.768 297 HB2 MET 42 HB2 MET 42 -12.036 3.620 -3.617 298 HB3 MET 42 HB3 MET 42 -12.126 2.452 -2.308 299 HG2 MET 42 HG2 MET 42 -10.312 4.889 -2.376 300 HG3 MET 42 HG3 MET 42 -11.804 4.712 -1.471 301 HE1 MET 42 HE1 MET 42 -9.958 5.855 0.112 302 HE2 MET 42 HE2 MET 42 -11.202 5.009 1.040 303 HE3 MET 42 HE3 MET 42 -9.502 4.857 1.508 304 H ASP 43 H ASP 43 -11.399 2.244 -5.905 305 HA ASP 43 HA ASP 43 -12.981 -0.117 -5.745 306 HB2 ASP 43 HB2 ASP 43 -13.298 1.709 -7.411 307 HB3 ASP 43 HB3 ASP 43 -11.796 1.229 -8.215 308 H ASP 44 H ASP 44 -9.684 0.428 -7.033 309 HA ASP 44 HA ASP 44 -9.407 -2.261 -8.040 310 HB2 ASP 44 HB2 ASP 44 -7.802 0.185 -8.003 311 HB3 ASP 44 HB3 ASP 44 -6.815 -1.195 -7.531 312 H LEU 45 H LEU 45 -8.357 -0.561 -5.089 313 HA LEU 45 HA LEU 45 -7.031 -2.729 -3.827 314 HB2 LEU 45 HB2 LEU 45 -8.694 -0.464 -2.637 315 HB3 LEU 45 HB3 LEU 45 -7.786 -1.612 -1.655 316 HG LEU 45 HG LEU 45 -6.516 0.289 -3.672 317 HD11 LEU 45 HD11 LEU 45 -6.881 0.437 -0.640 318 HD12 LEU 45 HD12 LEU 45 -7.459 1.599 -1.855 319 HD13 LEU 45 HD13 LEU 45 -5.732 1.422 -1.540 320 HD21 LEU 45 HD21 LEU 45 -5.142 -1.717 -3.288 321 HD22 LEU 45 HD22 LEU 45 -5.301 -1.513 -1.525 322 HD23 LEU 45 HD23 LEU 45 -4.416 -0.316 -2.504 323 H ALA 46 H ALA 46 -10.491 -1.815 -3.889 324 HA ALA 46 HA ALA 46 -11.419 -3.867 -2.155 325 HB1 ALA 46 HB1 ALA 46 -13.606 -3.475 -3.248 326 HB2 ALA 46 HB2 ALA 46 -12.822 -1.966 -2.719 327 HB3 ALA 46 HB3 ALA 46 -12.827 -2.415 -4.429 328 H SER 47 H SER 47 -10.845 -3.849 -5.685 329 HA SER 47 HA SER 47 -11.954 -6.431 -6.182 330 HB2 SER 47 HB2 SER 47 -11.476 -4.590 -7.845 331 HB3 SER 47 HB3 SER 47 -9.763 -5.010 -7.732 332 HG SER 47 HG SER 47 -10.694 -6.106 -9.449 333 H LEU 48 H LEU 48 -8.779 -5.351 -4.987 334 HA LEU 48 HA LEU 48 -7.523 -7.970 -5.210 335 HB2 LEU 48 HB2 LEU 48 -6.722 -5.541 -3.559 336 HB3 LEU 48 HB3 LEU 48 -5.753 -6.986 -3.779 337 HG LEU 48 HG LEU 48 -6.496 -5.017 -5.961 338 HD11 LEU 48 HD11 LEU 48 -4.071 -4.564 -5.895 339 HD12 LEU 48 HD12 LEU 48 -3.875 -5.653 -4.521 340 HD13 LEU 48 HD13 LEU 48 -4.847 -4.165 -4.364 341 HD21 LEU 48 HD21 LEU 48 -4.866 -6.245 -7.352 342 HD22 LEU 48 HD22 LEU 48 -6.269 -7.243 -6.969 343 HD23 LEU 48 HD23 LEU 48 -4.734 -7.504 -6.106 344 H LYS 49 H LYS 49 -10.171 -7.782 -3.706 345 HA LYS 49 HA LYS 49 -11.207 -8.758 -2.006 346 HB2 LYS 49 HB2 LYS 49 -9.532 -10.504 -2.780 347 HB3 LYS 49 HB3 LYS 49 -8.587 -10.161 -1.345 348 HG2 LYS 49 HG2 LYS 49 -11.499 -11.020 -1.195 349 HG3 LYS 49 HG3 LYS 49 -10.189 -12.155 -1.495 350 HD2 LYS 49 HD2 LYS 49 -9.139 -10.974 0.664 351 HD3 LYS 49 HD3 LYS 49 -10.853 -10.711 1.039 352 HE2 LYS 49 HE2 LYS 49 -11.277 -13.094 0.971 353 HE3 LYS 49 HE3 LYS 49 -9.675 -13.415 0.291 354 HZ1 LYS 49 HZ1 LYS 49 -9.721 -13.885 2.636 355 HZ2 LYS 49 HZ2 LYS 49 -10.170 -12.341 2.999 356 HZ3 LYS 49 HZ3 LYS 49 -8.694 -12.649 2.331 357 H ILE 50 H ILE 50 -9.699 -6.135 -1.559 358 HA ILE 50 HA ILE 50 -9.230 -6.282 1.347 359 HB ILE 50 HB ILE 50 -8.727 -3.895 -0.424 360 HG12 ILE 50 HG12 ILE 50 -6.926 -6.287 0.247 361 HG13 ILE 50 HG13 ILE 50 -7.451 -5.814 -1.362 362 HG21 ILE 50 HG21 ILE 50 -8.811 -3.800 2.161 363 HG22 ILE 50 HG22 ILE 50 -7.357 -4.822 2.104 364 HG23 ILE 50 HG23 ILE 50 -7.337 -3.199 1.380 365 HD11 ILE 50 HD11 ILE 50 -5.556 -4.263 0.388 366 HD12 ILE 50 HD12 ILE 50 -5.155 -5.202 -1.054 367 HD13 ILE 50 HD13 ILE 50 -6.160 -3.722 -1.196 368 HA PRO 51 HA PRO 51 -13.572 -4.847 1.560 369 HB2 PRO 51 HB2 PRO 51 -13.935 -5.084 4.280 370 HB3 PRO 51 HB3 PRO 51 -13.951 -6.500 3.178 371 HG2 PRO 51 HG2 PRO 51 -11.628 -5.457 4.820 372 HG3 PRO 51 HG3 PRO 51 -12.213 -7.143 4.671 373 HD2 PRO 51 HD2 PRO 51 -10.132 -6.271 3.229 374 HD3 PRO 51 HD3 PRO 51 -11.356 -7.381 2.514 375 H GLU 52 H GLU 52 -14.483 -2.851 2.076 376 HA GLU 52 HA GLU 52 -13.090 -0.561 2.144 377 HB2 GLU 52 HB2 GLU 52 -15.080 0.567 2.710 378 HB3 GLU 52 HB3 GLU 52 -15.490 -0.838 1.748 379 HG2 GLU 52 HG2 GLU 52 -15.985 -2.043 3.999 380 HG3 GLU 52 HG3 GLU 52 -15.843 -0.466 4.752 381 H GLN 53 H GLN 53 -14.173 -2.178 5.133 382 HA GLN 53 HA GLN 53 -13.427 -0.290 6.987 383 HB2 GLN 53 HB2 GLN 53 -14.752 -2.450 7.244 384 HB3 GLN 53 HB3 GLN 53 -13.212 -3.304 7.375 385 HG2 GLN 53 HG2 GLN 53 -12.657 -2.128 9.411 386 HG3 GLN 53 HG3 GLN 53 -13.966 -0.968 9.174 387 HE21 GLN 53 HE21 GLN 53 -15.780 -1.349 10.405 388 HE22 GLN 53 HE22 GLN 53 -16.251 -2.923 11.038 389 H PHE 54 H PHE 54 -11.293 -2.644 5.413 390 HA PHE 54 HA PHE 54 -9.007 -1.574 7.021 391 HB2 PHE 54 HB2 PHE 54 -9.257 -3.912 7.276 392 HB3 PHE 54 HB3 PHE 54 -9.446 -4.160 5.530 393 HD1 PHE 54 HD1 PHE 54 -7.685 -4.015 4.038 394 HD2 PHE 54 HD2 PHE 54 -6.987 -3.386 8.225 395 HE1 PHE 54 HE1 PHE 54 -5.237 -4.162 3.645 396 HE2 PHE 54 HE2 PHE 54 -4.517 -3.365 7.807 397 HZ PHE 54 HZ PHE 54 -3.642 -3.736 5.512 398 H ARG 55 H ARG 55 -10.280 -1.938 3.712 399 HA ARG 55 HA ARG 55 -8.047 -1.158 2.196 400 HB2 ARG 55 HB2 ARG 55 -10.030 -2.189 1.380 401 HB3 ARG 55 HB3 ARG 55 -11.047 -0.874 1.937 402 HG2 ARG 55 HG2 ARG 55 -9.109 0.170 0.061 403 HG3 ARG 55 HG3 ARG 55 -9.911 -1.239 -0.640 404 HD2 ARG 55 HD2 ARG 55 -11.403 1.100 0.625 405 HD3 ARG 55 HD3 ARG 55 -10.991 0.983 -1.089 406 HE ARG 55 HE ARG 55 -12.296 -1.346 -0.720 407 HH11 ARG 55 HH11 ARG 55 -13.264 2.050 0.082 408 HH12 ARG 55 HH12 ARG 55 -14.804 1.850 -0.684 409 HH21 ARG 55 HH21 ARG 55 -14.611 -1.536 -1.423 410 HH22 ARG 55 HH22 ARG 55 -15.544 -0.085 -1.380 411 H HIS 56 H HIS 56 -10.511 0.837 3.954 412 HA HIS 56 HA HIS 56 -9.475 3.337 3.061 413 HB2 HIS 56 HB2 HIS 56 -11.727 2.879 4.079 414 HB3 HIS 56 HB3 HIS 56 -10.953 2.667 5.639 415 HD1 HIS 56 HD1 HIS 56 -12.880 4.712 6.091 416 HD2 HIS 56 HD2 HIS 56 -9.404 5.677 3.900 417 HE1 HIS 56 HE1 HIS 56 -12.720 7.219 6.073 418 H ALA 57 H ALA 57 -8.311 1.023 5.522 419 HA ALA 57 HA ALA 57 -6.745 2.902 7.031 420 HB1 ALA 57 HB1 ALA 57 -6.215 -0.081 6.805 421 HB2 ALA 57 HB2 ALA 57 -5.746 1.030 8.080 422 HB3 ALA 57 HB3 ALA 57 -7.467 0.612 7.866 423 H ILE 58 H ILE 58 -5.808 0.429 4.459 424 HA ILE 58 HA ILE 58 -3.145 1.280 4.315 425 HB ILE 58 HB ILE 58 -3.663 -0.781 3.323 426 HG12 ILE 58 HG12 ILE 58 -3.241 1.204 1.040 427 HG13 ILE 58 HG13 ILE 58 -2.001 0.574 2.136 428 HG21 ILE 58 HG21 ILE 58 -5.686 0.490 1.449 429 HG22 ILE 58 HG22 ILE 58 -5.256 -1.208 1.504 430 HG23 ILE 58 HG23 ILE 58 -6.061 -0.516 2.883 431 HD11 ILE 58 HD11 ILE 58 -3.538 -1.093 0.146 432 HD12 ILE 58 HD12 ILE 58 -1.931 -0.394 -0.090 433 HD13 ILE 58 HD13 ILE 58 -2.161 -1.594 1.174 434 H TRP 59 H TRP 59 -5.933 2.345 2.392 435 HA TRP 59 HA TRP 59 -4.440 4.118 0.779 436 HB2 TRP 59 HB2 TRP 59 -6.880 3.154 0.525 437 HB3 TRP 59 HB3 TRP 59 -7.324 4.683 1.257 438 HD1 TRP 59 HD1 TRP 59 -5.145 3.409 -1.713 439 HE1 TRP 59 HE1 TRP 59 -5.381 4.949 -3.689 440 HE3 TRP 59 HE3 TRP 59 -8.010 6.930 0.474 441 HZ2 TRP 59 HZ2 TRP 59 -6.792 7.414 -4.329 442 HZ3 TRP 59 HZ3 TRP 59 -8.892 8.879 -0.900 443 HH2 TRP 59 HH2 TRP 59 -8.266 9.118 -3.258 444 H LYS 60 H LYS 60 -6.410 4.902 3.768 445 HA LYS 60 HA LYS 60 -5.727 7.646 3.738 446 HB2 LYS 60 HB2 LYS 60 -7.421 6.526 5.204 447 HB3 LYS 60 HB3 LYS 60 -6.122 5.888 6.212 448 HG2 LYS 60 HG2 LYS 60 -6.661 8.837 5.694 449 HG3 LYS 60 HG3 LYS 60 -7.397 7.941 7.007 450 HD2 LYS 60 HD2 LYS 60 -4.421 8.470 6.738 451 HD3 LYS 60 HD3 LYS 60 -5.516 9.378 7.727 452 HE2 LYS 60 HE2 LYS 60 -5.420 6.390 8.159 453 HE3 LYS 60 HE3 LYS 60 -4.021 7.347 8.644 454 HZ1 LYS 60 HZ1 LYS 60 -6.768 7.841 9.574 455 HZ2 LYS 60 HZ2 LYS 60 -5.430 8.720 9.976 456 HZ3 LYS 60 HZ3 LYS 60 -5.562 7.153 10.451 457 H GLY 61 H GLY 61 -3.946 4.848 5.100 458 HA2 GLY 61 HA2 GLY 61 -1.904 6.332 6.388 459 HA3 GLY 61 HA3 GLY 61 -1.718 4.691 5.778 460 H ILE 62 H ILE 62 -1.847 4.970 3.066 461 HA ILE 62 HA ILE 62 0.698 6.210 2.557 462 HB ILE 62 HB ILE 62 -0.168 4.181 1.573 463 HG12 ILE 62 HG12 ILE 62 0.897 4.587 -0.731 464 HG13 ILE 62 HG13 ILE 62 1.058 6.267 -0.253 465 HG21 ILE 62 HG21 ILE 62 -1.620 5.873 -0.470 466 HG22 ILE 62 HG22 ILE 62 -1.439 4.114 -0.500 467 HG23 ILE 62 HG23 ILE 62 -2.384 4.877 0.786 468 HD11 ILE 62 HD11 ILE 62 3.132 4.965 0.131 469 HD12 ILE 62 HD12 ILE 62 2.494 5.578 1.654 470 HD13 ILE 62 HD13 ILE 62 2.256 3.867 1.218 471 H LEU 63 H LEU 63 -2.645 7.200 1.849 472 HA LEU 63 HA LEU 63 -1.926 9.436 0.218 473 HB2 LEU 63 HB2 LEU 63 -4.339 8.687 1.857 474 HB3 LEU 63 HB3 LEU 63 -4.170 10.347 1.379 475 HG LEU 63 HG LEU 63 -5.545 8.913 -0.164 476 HD11 LEU 63 HD11 LEU 63 -3.172 10.284 -1.451 477 HD12 LEU 63 HD12 LEU 63 -4.591 11.121 -0.780 478 HD13 LEU 63 HD13 LEU 63 -4.765 10.012 -2.166 479 HD21 LEU 63 HD21 LEU 63 -2.853 7.836 -1.135 480 HD22 LEU 63 HD22 LEU 63 -4.400 7.648 -1.945 481 HD23 LEU 63 HD23 LEU 63 -4.148 6.878 -0.377 482 H ASP 64 H ASP 64 -1.936 8.846 3.636 483 HA ASP 64 HA ASP 64 -1.519 11.663 4.457 484 HB2 ASP 64 HB2 ASP 64 -1.422 9.010 5.883 485 HB3 ASP 64 HB3 ASP 64 -0.414 10.272 6.538 486 H HIS 65 H HIS 65 0.506 8.909 3.709 487 HA HIS 65 HA HIS 65 3.040 10.020 4.492 488 HB2 HIS 65 HB2 HIS 65 2.642 7.580 4.121 489 HB3 HIS 65 HB3 HIS 65 2.415 7.874 2.416 490 HD1 HIS 65 HD1 HIS 65 5.241 8.709 4.920 491 HD2 HIS 65 HD2 HIS 65 4.471 7.200 1.058 492 HE1 HIS 65 HE1 HIS 65 7.541 8.140 3.885 493 H ARG 66 H ARG 66 1.553 9.644 1.243 494 HA ARG 66 HA ARG 66 3.488 11.309 -0.040 495 HB2 ARG 66 HB2 ARG 66 2.081 11.182 -2.012 496 HB3 ARG 66 HB3 ARG 66 2.144 9.613 -1.221 497 HG2 ARG 66 HG2 ARG 66 -0.108 9.683 -1.565 498 HG3 ARG 66 HG3 ARG 66 -0.051 10.469 -0.012 499 HD2 ARG 66 HD2 ARG 66 -1.518 11.791 -1.294 500 HD3 ARG 66 HD3 ARG 66 -0.020 12.717 -1.249 501 HE ARG 66 HE ARG 66 -0.682 10.853 -3.473 502 HH11 ARG 66 HH11 ARG 66 -0.182 14.272 -2.560 503 HH12 ARG 66 HH12 ARG 66 0.135 14.745 -4.206 504 HH21 ARG 66 HH21 ARG 66 -0.089 11.505 -5.553 505 HH22 ARG 66 HH22 ARG 66 0.122 13.211 -5.913 506 H GLN 67 H GLN 67 0.567 12.178 1.858 507 HA GLN 67 HA GLN 67 0.508 14.843 0.665 508 HB2 GLN 67 HB2 GLN 67 -1.490 13.699 1.378 509 HB3 GLN 67 HB3 GLN 67 -0.883 13.564 3.044 510 HG2 GLN 67 HG2 GLN 67 -1.053 15.975 3.286 511 HG3 GLN 67 HG3 GLN 67 -1.499 16.133 1.564 512 HE21 GLN 67 HE21 GLN 67 -2.590 14.565 4.641 513 HE22 GLN 67 HE22 GLN 67 -4.288 14.530 4.218 514 H LEU 68 H LEU 68 2.205 13.239 3.342 515 HA LEU 68 HA LEU 68 3.096 15.863 4.391 516 HB2 LEU 68 HB2 LEU 68 3.057 13.085 5.579 517 HB3 LEU 68 HB3 LEU 68 3.801 14.475 6.374 518 HG LEU 68 HG LEU 68 0.853 14.349 5.574 519 HD11 LEU 68 HD11 LEU 68 2.228 13.899 8.258 520 HD12 LEU 68 HD12 LEU 68 1.233 12.747 7.313 521 HD13 LEU 68 HD13 LEU 68 0.484 14.168 8.044 522 HD21 LEU 68 HD21 LEU 68 2.460 16.401 7.162 523 HD22 LEU 68 HD22 LEU 68 0.683 16.326 7.103 524 HD23 LEU 68 HD23 LEU 68 1.574 16.654 5.642 525 H HIS 69 H HIS 69 4.290 13.555 2.262 526 HA HIS 69 HA HIS 69 7.056 14.496 2.745 527 HB2 HIS 69 HB2 HIS 69 6.415 12.091 3.622 528 HB3 HIS 69 HB3 HIS 69 6.389 11.649 1.922 529 HD1 HIS 69 HD1 HIS 69 9.147 13.970 3.484 530 HD2 HIS 69 HD2 HIS 69 8.473 10.046 2.060 531 HE1 HIS 69 HE1 HIS 69 11.354 12.779 3.631 532 H ASP 70 H ASP 70 8.370 14.065 0.589 533 HA ASP 70 HA ASP 70 6.855 13.826 -1.873 534 HB2 ASP 70 HB2 ASP 70 6.241 16.128 -1.505 535 HB3 ASP 70 HB3 ASP 70 7.873 16.546 -0.955 Start of MODEL 11 1 H1 GLY 1 H GLY 1 15.681 -21.286 -5.287 2 HA2 GLY 1 HA2 GLY 1 17.262 -19.712 -6.315 3 HA3 GLY 1 HA3 GLY 1 15.888 -18.609 -6.555 4 HA PRO 2 HA PRO 2 17.757 -18.283 -2.188 5 HB2 PRO 2 HB2 PRO 2 19.519 -16.201 -2.356 6 HB3 PRO 2 HB3 PRO 2 19.970 -17.894 -2.730 7 HG2 PRO 2 HG2 PRO 2 19.166 -15.702 -4.668 8 HG3 PRO 2 HG3 PRO 2 20.573 -16.810 -4.776 9 HD2 PRO 2 HD2 PRO 2 18.208 -17.247 -6.083 10 HD3 PRO 2 HD3 PRO 2 19.204 -18.605 -5.466 11 H LEU 3 H LEU 3 16.477 -15.975 -4.506 12 HA LEU 3 HA LEU 3 15.280 -14.046 -4.346 13 HB2 LEU 3 HB2 LEU 3 14.107 -15.725 -2.114 14 HB3 LEU 3 HB3 LEU 3 13.494 -14.128 -2.497 15 HG LEU 3 HG LEU 3 13.087 -14.854 -4.862 16 HD11 LEU 3 HD11 LEU 3 14.494 -16.831 -5.090 17 HD12 LEU 3 HD12 LEU 3 12.807 -17.287 -5.291 18 HD13 LEU 3 HD13 LEU 3 13.615 -17.631 -3.752 19 HD21 LEU 3 HD21 LEU 3 11.033 -16.081 -4.275 20 HD22 LEU 3 HD22 LEU 3 11.329 -14.684 -3.247 21 HD23 LEU 3 HD23 LEU 3 11.662 -16.320 -2.627 22 H GLY 4 H GLY 4 17.822 -13.858 -3.376 23 HA2 GLY 4 HA2 GLY 4 17.869 -12.271 -0.915 24 HA3 GLY 4 HA3 GLY 4 19.231 -12.878 -1.851 25 H SER 5 H SER 5 16.840 -10.334 -1.539 26 HA SER 5 HA SER 5 18.508 -8.345 -2.611 27 HB2 SER 5 HB2 SER 5 17.498 -9.375 -4.778 28 HB3 SER 5 HB3 SER 5 15.966 -8.677 -4.207 29 HG SER 5 HG SER 5 16.770 -6.928 -5.195 30 H THR 6 H THR 6 17.397 -6.265 -2.310 31 HA THR 6 HA THR 6 15.062 -6.293 -0.483 32 HB THR 6 HB THR 6 17.021 -5.959 0.924 33 HG1 THR 6 HG1 THR 6 15.484 -4.577 1.564 34 HG21 THR 6 HG21 THR 6 18.759 -5.325 -0.626 35 HG22 THR 6 HG22 THR 6 18.551 -4.001 0.543 36 HG23 THR 6 HG23 THR 6 17.905 -3.840 -1.093 37 H ASP 7 H ASP 7 13.719 -4.424 -0.808 38 HA ASP 7 HA ASP 7 14.367 -2.406 -2.759 39 HB2 ASP 7 HB2 ASP 7 12.868 -2.965 -4.450 40 HB3 ASP 7 HB3 ASP 7 13.663 -4.507 -4.137 41 H CYS 8 H CYS 8 12.270 -1.027 -3.060 42 HA CYS 8 HA CYS 8 10.940 -0.763 -0.408 43 HB2 CYS 8 HB2 CYS 8 11.354 1.174 -2.731 44 HB3 CYS 8 HB3 CYS 8 10.351 1.501 -1.322 45 HG CYS 8 HG CYS 8 12.123 1.393 0.507 46 H SER 9 H SER 9 9.000 -1.764 -0.390 47 HA SER 9 HA SER 9 7.077 -1.437 -2.537 48 HB2 SER 9 HB2 SER 9 8.281 -4.124 -1.814 49 HB3 SER 9 HB3 SER 9 6.626 -3.968 -2.433 50 HG SER 9 HG SER 9 9.046 -3.298 -3.767 51 H ILE 10 H ILE 10 4.985 -2.743 -1.599 52 HA ILE 10 HA ILE 10 4.190 -1.387 0.693 53 HB ILE 10 HB ILE 10 3.103 -3.950 -0.480 54 HG12 ILE 10 HG12 ILE 10 3.084 -1.929 -1.895 55 HG13 ILE 10 HG13 ILE 10 1.477 -2.589 -1.583 56 HG21 ILE 10 HG21 ILE 10 2.236 -4.026 1.699 57 HG22 ILE 10 HG22 ILE 10 1.840 -2.298 1.666 58 HG23 ILE 10 HG23 ILE 10 0.949 -3.454 0.640 59 HD11 ILE 10 HD11 ILE 10 1.527 -0.161 -1.515 60 HD12 ILE 10 HD12 ILE 10 1.090 -0.793 0.077 61 HD13 ILE 10 HD13 ILE 10 2.723 -0.144 -0.227 62 H VAL 11 H VAL 11 6.049 -4.302 0.554 63 HA VAL 11 HA VAL 11 5.504 -5.330 3.137 64 HB VAL 11 HB VAL 11 7.909 -6.117 3.059 65 HG11 VAL 11 HG11 VAL 11 5.975 -7.462 2.321 66 HG12 VAL 11 HG12 VAL 11 6.063 -6.731 0.699 67 HG13 VAL 11 HG13 VAL 11 7.361 -7.779 1.282 68 HG21 VAL 11 HG21 VAL 11 7.901 -5.001 0.223 69 HG22 VAL 11 HG22 VAL 11 8.968 -4.473 1.553 70 HG23 VAL 11 HG23 VAL 11 9.093 -6.105 0.910 71 H SER 12 H SER 12 7.992 -2.888 2.254 72 HA SER 12 HA SER 12 8.868 -2.334 4.879 73 HB2 SER 12 HB2 SER 12 8.747 -0.624 2.360 74 HB3 SER 12 HB3 SER 12 9.828 -0.327 3.751 75 HG SER 12 HG SER 12 11.020 -1.453 2.257 76 H PHE 13 H PHE 13 6.262 -0.866 2.877 77 HA PHE 13 HA PHE 13 5.620 1.250 4.686 78 HB2 PHE 13 HB2 PHE 13 4.966 1.235 2.334 79 HB3 PHE 13 HB3 PHE 13 4.023 -0.224 2.567 80 HD1 PHE 13 HD1 PHE 13 1.844 0.318 2.027 81 HD2 PHE 13 HD2 PHE 13 4.066 2.968 4.617 82 HE1 PHE 13 HE1 PHE 13 -0.194 1.703 2.396 83 HE2 PHE 13 HE2 PHE 13 2.018 4.310 4.987 84 HZ PHE 13 HZ PHE 13 -0.125 3.593 3.934 85 H PHE 14 H PHE 14 4.267 -2.049 4.291 86 HA PHE 14 HA PHE 14 2.361 -1.791 6.392 87 HB2 PHE 14 HB2 PHE 14 3.488 -4.080 4.788 88 HB3 PHE 14 HB3 PHE 14 2.501 -4.392 6.186 89 HD1 PHE 14 HD1 PHE 14 1.053 -5.553 4.534 90 HD2 PHE 14 HD2 PHE 14 1.531 -1.273 4.429 91 HE1 PHE 14 HE1 PHE 14 -0.961 -5.356 3.109 92 HE2 PHE 14 HE2 PHE 14 -0.494 -1.075 3.067 93 HZ PHE 14 HZ PHE 14 -1.730 -3.102 2.370 94 H ALA 15 H ALA 15 5.729 -2.921 6.318 95 HA ALA 15 HA ALA 15 5.821 -3.959 8.950 96 HB1 ALA 15 HB1 ALA 15 7.667 -4.234 7.328 97 HB2 ALA 15 HB2 ALA 15 8.015 -2.494 7.401 98 HB3 ALA 15 HB3 ALA 15 8.254 -3.514 8.834 99 H ARG 16 H ARG 16 6.153 -0.599 7.687 100 HA ARG 16 HA ARG 16 6.516 0.569 10.328 101 HB2 ARG 16 HB2 ARG 16 5.704 1.721 7.605 102 HB3 ARG 16 HB3 ARG 16 5.761 2.707 9.082 103 HG2 ARG 16 HG2 ARG 16 8.048 2.007 9.472 104 HG3 ARG 16 HG3 ARG 16 8.079 1.105 7.963 105 HD2 ARG 16 HD2 ARG 16 8.087 3.021 6.621 106 HD3 ARG 16 HD3 ARG 16 7.235 3.994 7.821 107 HE ARG 16 HE ARG 16 10.105 3.627 7.589 108 HH11 ARG 16 HH11 ARG 16 7.480 4.463 9.846 109 HH12 ARG 16 HH12 ARG 16 8.519 5.168 11.025 110 HH21 ARG 16 HH21 ARG 16 11.460 4.637 9.077 111 HH22 ARG 16 HH22 ARG 16 10.852 5.254 10.593 112 H LEU 17 H LEU 17 3.681 0.001 8.339 113 HA LEU 17 HA LEU 17 1.820 1.459 10.072 114 HB2 LEU 17 HB2 LEU 17 1.273 -0.724 8.039 115 HB3 LEU 17 HB3 LEU 17 0.022 0.142 8.922 116 HG LEU 17 HG LEU 17 1.864 1.283 6.824 117 HD11 LEU 17 HD11 LEU 17 -0.302 1.602 5.622 118 HD12 LEU 17 HD12 LEU 17 -1.151 0.823 6.960 119 HD13 LEU 17 HD13 LEU 17 0.007 -0.099 5.986 120 HD21 LEU 17 HD21 LEU 17 -0.283 2.720 8.431 121 HD22 LEU 17 HD22 LEU 17 0.606 3.398 7.055 122 HD23 LEU 17 HD23 LEU 17 1.450 3.024 8.563 123 H GLY 18 H GLY 18 3.106 -1.843 10.163 124 HA2 GLY 18 HA2 GLY 18 3.151 -3.146 12.054 125 HA3 GLY 18 HA3 GLY 18 1.659 -2.391 12.653 126 H CYS 19 H CYS 19 1.470 -2.989 9.296 127 HA CYS 19 HA CYS 19 -0.570 -4.870 9.782 128 HB2 CYS 19 HB2 CYS 19 0.589 -4.165 7.077 129 HB3 CYS 19 HB3 CYS 19 -1.012 -4.838 7.420 130 HG CYS 19 HG CYS 19 -1.343 -2.321 6.747 131 H SER 20 H SER 20 -0.241 -6.961 10.276 132 HA SER 20 HA SER 20 2.248 -8.334 9.580 133 HB2 SER 20 HB2 SER 20 -0.084 -9.069 11.375 134 HB3 SER 20 HB3 SER 20 1.454 -9.952 11.254 135 HG SER 20 HG SER 20 0.865 -7.886 12.783 136 H SER 21 H SER 21 -0.829 -10.177 9.787 137 HA SER 21 HA SER 21 -0.293 -11.824 7.660 138 HB2 SER 21 HB2 SER 21 -3.077 -10.867 8.417 139 HB3 SER 21 HB3 SER 21 -2.648 -12.397 7.643 140 HG SER 21 HG SER 21 -3.048 -12.739 9.770 141 H CYS 22 H CYS 22 -1.672 -8.580 7.416 142 HA CYS 22 HA CYS 22 -2.774 -8.836 4.833 143 HB2 CYS 22 HB2 CYS 22 -1.600 -6.314 6.075 144 HB3 CYS 22 HB3 CYS 22 -2.869 -6.422 4.858 145 HG CYS 22 HG CYS 22 -2.907 -7.003 8.120 146 H LEU 23 H LEU 23 0.572 -8.260 5.918 147 HA LEU 23 HA LEU 23 1.496 -7.359 3.338 148 HB2 LEU 23 HB2 LEU 23 3.532 -7.075 4.302 149 HB3 LEU 23 HB3 LEU 23 2.528 -6.988 5.729 150 HG LEU 23 HG LEU 23 3.135 -9.579 5.982 151 HD11 LEU 23 HD11 LEU 23 5.487 -8.539 4.337 152 HD12 LEU 23 HD12 LEU 23 4.360 -9.803 3.803 153 HD13 LEU 23 HD13 LEU 23 5.405 -10.090 5.187 154 HD21 LEU 23 HD21 LEU 23 5.084 -7.308 6.539 155 HD22 LEU 23 HD22 LEU 23 5.148 -8.925 7.273 156 HD23 LEU 23 HD23 LEU 23 3.765 -7.882 7.584 157 H ASP 24 H ASP 24 1.240 -10.385 5.146 158 HA ASP 24 HA ASP 24 2.611 -12.106 3.421 159 HB2 ASP 24 HB2 ASP 24 1.646 -12.563 5.752 160 HB3 ASP 24 HB3 ASP 24 0.103 -12.883 4.959 161 H TYR 25 H TYR 25 -0.864 -11.328 3.548 162 HA TYR 25 HA TYR 25 -1.720 -12.721 1.288 163 HB2 TYR 25 HB2 TYR 25 -2.714 -10.050 2.337 164 HB3 TYR 25 HB3 TYR 25 -3.594 -11.104 1.245 165 HD1 TYR 25 HD1 TYR 25 -4.921 -10.148 3.578 166 HD2 TYR 25 HD2 TYR 25 -2.276 -13.548 3.333 167 HE1 TYR 25 HE1 TYR 25 -6.264 -11.309 5.284 168 HE2 TYR 25 HE2 TYR 25 -3.460 -14.610 5.173 169 HH TYR 25 HH TYR 25 -6.614 -13.533 6.342 170 H PHE 26 H PHE 26 -0.648 -9.220 1.364 171 HA PHE 26 HA PHE 26 -0.777 -8.826 -1.394 172 HB2 PHE 26 HB2 PHE 26 0.564 -7.567 0.935 173 HB3 PHE 26 HB3 PHE 26 1.452 -7.370 -0.553 174 HD1 PHE 26 HD1 PHE 26 0.459 -6.242 -2.545 175 HD2 PHE 26 HD2 PHE 26 -1.636 -6.541 1.211 176 HE1 PHE 26 HE1 PHE 26 -0.908 -4.264 -3.146 177 HE2 PHE 26 HE2 PHE 26 -3.137 -4.715 0.512 178 HZ PHE 26 HZ PHE 26 -2.657 -3.477 -1.630 179 H THR 27 H THR 27 2.006 -10.143 0.492 180 HA THR 27 HA THR 27 3.825 -10.148 -1.683 181 HB THR 27 HB THR 27 5.086 -11.868 -0.458 182 HG1 THR 27 HG1 THR 27 2.778 -12.004 1.100 183 HG21 THR 27 HG21 THR 27 5.419 -9.464 0.038 184 HG22 THR 27 HG22 THR 27 5.749 -10.517 1.425 185 HG23 THR 27 HG23 THR 27 4.257 -9.594 1.378 186 H THR 28 H THR 28 1.630 -12.810 -0.574 187 HA THR 28 HA THR 28 2.324 -14.602 -2.618 188 HB THR 28 HB THR 28 -0.362 -14.336 -1.243 189 HG1 THR 28 HG1 THR 28 2.030 -15.503 -0.230 190 HG21 THR 28 HG21 THR 28 -0.396 -16.766 -1.298 191 HG22 THR 28 HG22 THR 28 1.238 -16.805 -2.008 192 HG23 THR 28 HG23 THR 28 -0.120 -16.170 -2.945 193 H GLN 29 H GLN 29 -0.134 -11.935 -2.557 194 HA GLN 29 HA GLN 29 -1.343 -12.768 -5.018 195 HB2 GLN 29 HB2 GLN 29 -1.253 -10.085 -3.581 196 HB3 GLN 29 HB3 GLN 29 -2.191 -10.421 -5.044 197 HG2 GLN 29 HG2 GLN 29 -3.490 -12.142 -3.942 198 HG3 GLN 29 HG3 GLN 29 -2.591 -11.937 -2.455 199 HE21 GLN 29 HE21 GLN 29 -5.294 -10.747 -4.331 200 HE22 GLN 29 HE22 GLN 29 -5.669 -9.390 -3.288 201 H GLY 30 H GLY 30 1.670 -11.190 -4.243 202 HA2 GLY 30 HA2 GLY 30 3.439 -10.603 -5.586 203 HA3 GLY 30 HA3 GLY 30 2.631 -11.394 -6.937 204 H LEU 31 H LEU 31 1.407 -8.725 -4.919 205 HA LEU 31 HA LEU 31 1.778 -6.846 -7.206 206 HB2 LEU 31 HB2 LEU 31 -0.608 -6.137 -7.068 207 HB3 LEU 31 HB3 LEU 31 -0.268 -7.693 -7.766 208 HG LEU 31 HG LEU 31 -0.906 -8.577 -5.350 209 HD11 LEU 31 HD11 LEU 31 -1.198 -6.336 -4.338 210 HD12 LEU 31 HD12 LEU 31 -2.665 -7.317 -4.258 211 HD13 LEU 31 HD13 LEU 31 -2.525 -6.017 -5.464 212 HD21 LEU 31 HD21 LEU 31 -2.057 -9.187 -7.376 213 HD22 LEU 31 HD22 LEU 31 -2.869 -7.610 -7.451 214 HD23 LEU 31 HD23 LEU 31 -3.273 -8.759 -6.152 215 H THR 32 H THR 32 3.021 -7.037 -4.512 216 HA THR 32 HA THR 32 1.944 -4.686 -3.104 217 HB THR 32 HB THR 32 2.766 -5.904 -1.437 218 HG1 THR 32 HG1 THR 32 5.427 -5.868 -1.837 219 HG21 THR 32 HG21 THR 32 4.673 -7.464 -3.200 220 HG22 THR 32 HG22 THR 32 3.045 -7.980 -2.707 221 HG23 THR 32 HG23 THR 32 4.302 -7.777 -1.493 222 H THR 33 H THR 33 2.438 -2.581 -3.804 223 HA THR 33 HA THR 33 5.158 -1.992 -4.355 224 HB THR 33 HB THR 33 5.006 -2.450 -6.551 225 HG1 THR 33 HG1 THR 33 5.067 -0.291 -6.637 226 HG21 THR 33 HG21 THR 33 1.929 -2.301 -6.482 227 HG22 THR 33 HG22 THR 33 2.952 -3.753 -6.587 228 HG23 THR 33 HG23 THR 33 2.923 -2.642 -7.918 229 H ILE 34 H ILE 34 5.455 0.296 -4.217 230 HA ILE 34 HA ILE 34 3.444 1.608 -2.559 231 HB ILE 34 HB ILE 34 5.979 2.918 -3.586 232 HG12 ILE 34 HG12 ILE 34 6.644 0.738 -2.538 233 HG13 ILE 34 HG13 ILE 34 7.294 2.187 -1.826 234 HG21 ILE 34 HG21 ILE 34 5.817 4.091 -1.382 235 HG22 ILE 34 HG22 ILE 34 4.425 4.413 -2.435 236 HG23 ILE 34 HG23 ILE 34 4.279 3.259 -1.082 237 HD11 ILE 34 HD11 ILE 34 6.670 0.599 -0.103 238 HD12 ILE 34 HD12 ILE 34 5.664 2.005 0.065 239 HD13 ILE 34 HD13 ILE 34 4.988 0.538 -0.690 240 H TYR 35 H TYR 35 5.053 2.540 -5.614 241 HA TYR 35 HA TYR 35 3.489 4.823 -6.116 242 HB2 TYR 35 HB2 TYR 35 5.013 3.102 -8.091 243 HB3 TYR 35 HB3 TYR 35 4.504 4.765 -8.326 244 HD1 TYR 35 HD1 TYR 35 6.975 2.551 -6.880 245 HD2 TYR 35 HD2 TYR 35 5.502 6.606 -6.746 246 HE1 TYR 35 HE1 TYR 35 8.948 3.223 -5.599 247 HE2 TYR 35 HE2 TYR 35 7.516 7.292 -5.504 248 HH TYR 35 HH TYR 35 9.581 6.540 -4.489 249 H GLN 36 H GLN 36 2.598 1.637 -6.378 250 HA GLN 36 HA GLN 36 0.681 2.049 -8.613 251 HB2 GLN 36 HB2 GLN 36 1.484 -0.322 -6.931 252 HB3 GLN 36 HB3 GLN 36 0.077 -0.371 -7.981 253 HG2 GLN 36 HG2 GLN 36 2.912 0.189 -8.918 254 HG3 GLN 36 HG3 GLN 36 1.992 -1.294 -9.193 255 HE21 GLN 36 HE21 GLN 36 0.079 -1.243 -10.689 256 HE22 GLN 36 HE22 GLN 36 0.134 -0.028 -11.925 257 H ILE 37 H ILE 37 0.537 1.283 -5.032 258 HA ILE 37 HA ILE 37 -2.285 1.616 -4.971 259 HB ILE 37 HB ILE 37 -2.096 1.845 -2.571 260 HG12 ILE 37 HG12 ILE 37 0.914 1.596 -2.849 261 HG13 ILE 37 HG13 ILE 37 0.143 3.172 -2.694 262 HG21 ILE 37 HG21 ILE 37 -0.315 -0.349 -3.763 263 HG22 ILE 37 HG22 ILE 37 -1.120 -0.409 -2.197 264 HG23 ILE 37 HG23 ILE 37 -2.088 -0.377 -3.671 265 HD11 ILE 37 HD11 ILE 37 -0.807 2.576 -0.542 266 HD12 ILE 37 HD12 ILE 37 -0.195 0.944 -0.682 267 HD13 ILE 37 HD13 ILE 37 0.961 2.291 -0.562 268 H GLU 38 H GLU 38 0.236 3.943 -5.209 269 HA GLU 38 HA GLU 38 -1.071 6.297 -4.248 270 HB2 GLU 38 HB2 GLU 38 1.180 5.597 -6.153 271 HB3 GLU 38 HB3 GLU 38 0.612 7.245 -6.132 272 HG2 GLU 38 HG2 GLU 38 1.314 5.978 -3.483 273 HG3 GLU 38 HG3 GLU 38 2.615 6.432 -4.594 274 H HIS 39 H HIS 39 -1.414 4.386 -7.204 275 HA HIS 39 HA HIS 39 -3.142 6.474 -8.472 276 HB2 HIS 39 HB2 HIS 39 -1.332 4.307 -9.602 277 HB3 HIS 39 HB3 HIS 39 -2.648 4.991 -10.534 278 HD1 HIS 39 HD1 HIS 39 -1.642 6.633 -12.191 279 HD2 HIS 39 HD2 HIS 39 0.061 6.828 -8.349 280 HE1 HIS 39 HE1 HIS 39 0.034 8.581 -12.234 281 H TYR 40 H TYR 40 -3.013 3.204 -7.161 282 HA TYR 40 HA TYR 40 -5.473 2.351 -8.443 283 HB2 TYR 40 HB2 TYR 40 -3.781 1.141 -6.229 284 HB3 TYR 40 HB3 TYR 40 -5.282 0.450 -6.778 285 HD1 TYR 40 HD1 TYR 40 -2.108 -0.661 -6.900 286 HD2 TYR 40 HD2 TYR 40 -5.092 0.778 -9.762 287 HE1 TYR 40 HE1 TYR 40 -1.221 -2.073 -8.635 288 HE2 TYR 40 HE2 TYR 40 -4.102 -0.622 -11.461 289 HH TYR 40 HH TYR 40 -2.429 -2.235 -11.981 290 H SER 41 H SER 41 -7.011 3.746 -8.029 291 HA SER 41 HA SER 41 -7.543 4.997 -5.503 292 HB2 SER 41 HB2 SER 41 -9.232 4.612 -8.035 293 HB3 SER 41 HB3 SER 41 -9.549 5.808 -6.791 294 HG SER 41 HG SER 41 -7.330 6.584 -7.225 295 H MET 42 H MET 42 -10.086 4.808 -4.859 296 HA MET 42 HA MET 42 -10.416 2.611 -3.239 297 HB2 MET 42 HB2 MET 42 -11.878 4.890 -3.983 298 HB3 MET 42 HB3 MET 42 -12.989 3.586 -4.320 299 HG2 MET 42 HG2 MET 42 -11.598 4.218 -1.731 300 HG3 MET 42 HG3 MET 42 -13.304 4.437 -2.105 301 HE1 MET 42 HE1 MET 42 -13.281 3.372 0.381 302 HE2 MET 42 HE2 MET 42 -14.765 2.902 -0.476 303 HE3 MET 42 HE3 MET 42 -13.884 1.698 0.470 304 H ASP 43 H ASP 43 -11.785 2.985 -6.528 305 HA ASP 43 HA ASP 43 -13.205 0.537 -6.559 306 HB2 ASP 43 HB2 ASP 43 -12.064 2.202 -8.828 307 HB3 ASP 43 HB3 ASP 43 -13.187 0.841 -9.040 308 H ASP 44 H ASP 44 -9.747 1.189 -7.384 309 HA ASP 44 HA ASP 44 -9.462 -1.436 -8.630 310 HB2 ASP 44 HB2 ASP 44 -7.662 0.841 -8.169 311 HB3 ASP 44 HB3 ASP 44 -6.893 -0.726 -7.882 312 H LEU 45 H LEU 45 -8.750 -0.065 -5.415 313 HA LEU 45 HA LEU 45 -7.635 -2.489 -4.350 314 HB2 LEU 45 HB2 LEU 45 -8.659 0.070 -3.135 315 HB3 LEU 45 HB3 LEU 45 -8.595 -1.359 -2.108 316 HG LEU 45 HG LEU 45 -6.252 -1.747 -2.713 317 HD11 LEU 45 HD11 LEU 45 -4.941 0.178 -3.737 318 HD12 LEU 45 HD12 LEU 45 -6.502 0.869 -4.202 319 HD13 LEU 45 HD13 LEU 45 -6.009 -0.695 -4.855 320 HD21 LEU 45 HD21 LEU 45 -6.698 -0.584 -0.645 321 HD22 LEU 45 HD22 LEU 45 -6.796 0.975 -1.480 322 HD23 LEU 45 HD23 LEU 45 -5.259 0.104 -1.392 323 H ALA 46 H ALA 46 -11.010 -1.237 -4.363 324 HA ALA 46 HA ALA 46 -12.098 -3.432 -2.910 325 HB1 ALA 46 HB1 ALA 46 -13.340 -1.374 -3.285 326 HB2 ALA 46 HB2 ALA 46 -13.324 -1.650 -5.046 327 HB3 ALA 46 HB3 ALA 46 -14.244 -2.739 -3.977 328 H SER 47 H SER 47 -11.590 -2.930 -6.445 329 HA SER 47 HA SER 47 -12.669 -5.404 -7.293 330 HB2 SER 47 HB2 SER 47 -12.371 -3.458 -8.711 331 HB3 SER 47 HB3 SER 47 -10.619 -3.532 -8.534 332 HG SER 47 HG SER 47 -10.535 -4.947 -10.026 333 H LEU 48 H LEU 48 -9.574 -4.639 -5.799 334 HA LEU 48 HA LEU 48 -8.281 -7.159 -6.580 335 HB2 LEU 48 HB2 LEU 48 -7.514 -4.817 -4.831 336 HB3 LEU 48 HB3 LEU 48 -6.569 -6.293 -4.806 337 HG LEU 48 HG LEU 48 -7.169 -4.866 -7.419 338 HD11 LEU 48 HD11 LEU 48 -6.099 -3.237 -5.913 339 HD12 LEU 48 HD12 LEU 48 -5.008 -3.726 -7.205 340 HD13 LEU 48 HD13 LEU 48 -4.794 -4.398 -5.573 341 HD21 LEU 48 HD21 LEU 48 -4.943 -6.757 -6.542 342 HD22 LEU 48 HD22 LEU 48 -5.099 -6.011 -8.143 343 HD23 LEU 48 HD23 LEU 48 -6.308 -7.180 -7.601 344 H LYS 49 H LYS 49 -10.888 -6.794 -4.859 345 HA LYS 49 HA LYS 49 -12.060 -7.952 -3.396 346 HB2 LYS 49 HB2 LYS 49 -9.808 -10.001 -3.298 347 HB3 LYS 49 HB3 LYS 49 -11.418 -10.169 -2.619 348 HG2 LYS 49 HG2 LYS 49 -11.822 -11.235 -4.575 349 HG3 LYS 49 HG3 LYS 49 -12.234 -9.601 -5.064 350 HD2 LYS 49 HD2 LYS 49 -9.616 -9.587 -5.776 351 HD3 LYS 49 HD3 LYS 49 -9.876 -11.321 -5.836 352 HE2 LYS 49 HE2 LYS 49 -11.611 -9.227 -7.231 353 HE3 LYS 49 HE3 LYS 49 -10.257 -10.049 -8.015 354 HZ1 LYS 49 HZ1 LYS 49 -12.492 -11.009 -8.421 355 HZ2 LYS 49 HZ2 LYS 49 -12.549 -11.521 -6.871 356 HZ3 LYS 49 HZ3 LYS 49 -11.381 -12.099 -7.856 357 H ILE 50 H ILE 50 -9.792 -5.973 -2.597 358 HA ILE 50 HA ILE 50 -9.237 -6.675 0.134 359 HB ILE 50 HB ILE 50 -8.967 -3.946 -1.150 360 HG12 ILE 50 HG12 ILE 50 -7.829 -5.600 -2.648 361 HG13 ILE 50 HG13 ILE 50 -6.725 -4.501 -1.883 362 HG21 ILE 50 HG21 ILE 50 -7.158 -3.695 0.488 363 HG22 ILE 50 HG22 ILE 50 -8.656 -4.173 1.319 364 HG23 ILE 50 HG23 ILE 50 -7.420 -5.376 1.018 365 HD11 ILE 50 HD11 ILE 50 -7.213 -7.338 -0.897 366 HD12 ILE 50 HD12 ILE 50 -5.905 -6.851 -1.996 367 HD13 ILE 50 HD13 ILE 50 -5.948 -6.210 -0.348 368 HA PRO 51 HA PRO 51 -13.305 -5.152 1.469 369 HB2 PRO 51 HB2 PRO 51 -13.150 -5.655 4.133 370 HB3 PRO 51 HB3 PRO 51 -13.253 -6.984 2.935 371 HG2 PRO 51 HG2 PRO 51 -10.750 -5.826 4.205 372 HG3 PRO 51 HG3 PRO 51 -11.235 -7.547 4.135 373 HD2 PRO 51 HD2 PRO 51 -9.524 -6.456 2.326 374 HD3 PRO 51 HD3 PRO 51 -10.738 -7.666 1.811 375 H GLU 52 H GLU 52 -14.091 -3.220 2.537 376 HA GLU 52 HA GLU 52 -12.288 -1.087 2.528 377 HB2 GLU 52 HB2 GLU 52 -14.028 0.333 3.139 378 HB3 GLU 52 HB3 GLU 52 -14.703 -0.907 2.111 379 HG2 GLU 52 HG2 GLU 52 -15.015 -0.527 5.094 380 HG3 GLU 52 HG3 GLU 52 -16.282 -0.492 3.869 381 H GLN 53 H GLN 53 -13.201 -3.158 5.237 382 HA GLN 53 HA GLN 53 -12.326 -1.586 7.376 383 HB2 GLN 53 HB2 GLN 53 -13.708 -3.635 7.488 384 HB3 GLN 53 HB3 GLN 53 -12.298 -4.623 7.117 385 HG2 GLN 53 HG2 GLN 53 -11.346 -4.291 9.206 386 HG3 GLN 53 HG3 GLN 53 -12.098 -2.705 9.433 387 HE21 GLN 53 HE21 GLN 53 -14.058 -2.551 10.625 388 HE22 GLN 53 HE22 GLN 53 -14.921 -3.985 11.137 389 H PHE 54 H PHE 54 -10.365 -2.944 4.940 390 HA PHE 54 HA PHE 54 -7.886 -2.336 6.522 391 HB2 PHE 54 HB2 PHE 54 -7.835 -4.611 6.533 392 HB3 PHE 54 HB3 PHE 54 -8.596 -4.760 4.937 393 HD1 PHE 54 HD1 PHE 54 -7.389 -5.010 3.060 394 HD2 PHE 54 HD2 PHE 54 -5.453 -3.598 6.606 395 HE1 PHE 54 HE1 PHE 54 -5.178 -5.136 1.880 396 HE2 PHE 54 HE2 PHE 54 -3.227 -3.775 5.467 397 HZ PHE 54 HZ PHE 54 -3.128 -4.569 3.094 398 H ARG 55 H ARG 55 -9.414 -2.539 3.246 399 HA ARG 55 HA ARG 55 -7.299 -1.437 1.823 400 HB2 ARG 55 HB2 ARG 55 -8.593 -1.544 0.060 401 HB3 ARG 55 HB3 ARG 55 -9.722 -2.335 1.099 402 HG2 ARG 55 HG2 ARG 55 -11.024 -0.841 -0.096 403 HG3 ARG 55 HG3 ARG 55 -10.834 -0.085 1.478 404 HD2 ARG 55 HD2 ARG 55 -8.713 0.939 -0.147 405 HD3 ARG 55 HD3 ARG 55 -10.159 0.926 -1.165 406 HE ARG 55 HE ARG 55 -10.998 1.918 1.292 407 HH11 ARG 55 HH11 ARG 55 -8.852 3.152 -1.331 408 HH12 ARG 55 HH12 ARG 55 -9.041 4.770 -0.785 409 HH21 ARG 55 HH21 ARG 55 -11.139 3.935 1.960 410 HH22 ARG 55 HH22 ARG 55 -10.340 5.263 1.186 411 H HIS 56 H HIS 56 -9.674 0.190 3.907 412 HA HIS 56 HA HIS 56 -9.032 2.822 3.063 413 HB2 HIS 56 HB2 HIS 56 -10.210 3.543 4.985 414 HB3 HIS 56 HB3 HIS 56 -10.934 1.956 4.712 415 HD1 HIS 56 HD1 HIS 56 -9.510 3.925 7.510 416 HD2 HIS 56 HD2 HIS 56 -9.592 -0.106 6.278 417 HE1 HIS 56 HE1 HIS 56 -8.698 2.559 9.459 418 H ALA 57 H ALA 57 -7.512 0.701 5.412 419 HA ALA 57 HA ALA 57 -5.845 2.740 6.530 420 HB1 ALA 57 HB1 ALA 57 -6.325 0.715 7.768 421 HB2 ALA 57 HB2 ALA 57 -5.531 -0.271 6.530 422 HB3 ALA 57 HB3 ALA 57 -4.570 0.854 7.519 423 H ILE 58 H ILE 58 -5.096 0.189 4.090 424 HA ILE 58 HA ILE 58 -2.419 0.991 3.707 425 HB ILE 58 HB ILE 58 -3.017 -1.052 2.821 426 HG12 ILE 58 HG12 ILE 58 -3.067 0.762 0.314 427 HG13 ILE 58 HG13 ILE 58 -1.607 0.404 1.264 428 HG21 ILE 58 HG21 ILE 58 -4.754 -1.618 1.240 429 HG22 ILE 58 HG22 ILE 58 -5.433 -0.863 2.656 430 HG23 ILE 58 HG23 ILE 58 -5.256 0.071 1.136 431 HD11 ILE 58 HD11 ILE 58 -2.928 -1.192 -0.788 432 HD12 ILE 58 HD12 ILE 58 -1.273 -1.311 -0.148 433 HD13 ILE 58 HD13 ILE 58 -2.599 -2.142 0.664 434 H TRP 59 H TRP 59 -5.418 1.993 1.960 435 HA TRP 59 HA TRP 59 -3.972 3.770 0.277 436 HB2 TRP 59 HB2 TRP 59 -6.208 2.594 -0.020 437 HB3 TRP 59 HB3 TRP 59 -6.910 3.872 0.964 438 HD1 TRP 59 HD1 TRP 59 -4.873 3.363 -2.269 439 HE1 TRP 59 HE1 TRP 59 -5.546 5.261 -3.942 440 HE3 TRP 59 HE3 TRP 59 -7.743 6.144 0.823 441 HZ2 TRP 59 HZ2 TRP 59 -7.199 7.656 -3.883 442 HZ3 TRP 59 HZ3 TRP 59 -8.898 8.222 0.032 443 HH2 TRP 59 HH2 TRP 59 -8.583 8.990 -2.290 444 H LYS 60 H LYS 60 -6.025 4.529 3.178 445 HA LYS 60 HA LYS 60 -5.618 7.312 3.162 446 HB2 LYS 60 HB2 LYS 60 -7.265 6.108 4.586 447 HB3 LYS 60 HB3 LYS 60 -5.908 5.371 5.482 448 HG2 LYS 60 HG2 LYS 60 -5.255 7.702 6.204 449 HG3 LYS 60 HG3 LYS 60 -6.800 8.260 5.537 450 HD2 LYS 60 HD2 LYS 60 -8.019 6.713 7.003 451 HD3 LYS 60 HD3 LYS 60 -6.512 6.003 7.603 452 HE2 LYS 60 HE2 LYS 60 -7.279 8.924 7.929 453 HE3 LYS 60 HE3 LYS 60 -7.595 7.670 9.142 454 HZ1 LYS 60 HZ1 LYS 60 -5.221 7.334 9.362 455 HZ2 LYS 60 HZ2 LYS 60 -5.615 8.903 9.612 456 HZ3 LYS 60 HZ3 LYS 60 -4.907 8.469 8.195 457 H GLY 61 H GLY 61 -3.633 4.679 4.569 458 HA2 GLY 61 HA2 GLY 61 -1.771 6.286 5.959 459 HA3 GLY 61 HA3 GLY 61 -1.504 4.638 5.389 460 H ILE 62 H ILE 62 -1.564 4.962 2.568 461 HA ILE 62 HA ILE 62 0.987 6.243 2.311 462 HB ILE 62 HB ILE 62 0.057 4.289 1.060 463 HG12 ILE 62 HG12 ILE 62 1.498 4.833 -1.017 464 HG13 ILE 62 HG13 ILE 62 1.689 6.448 -0.332 465 HG21 ILE 62 HG21 ILE 62 -0.844 4.663 -1.241 466 HG22 ILE 62 HG22 ILE 62 -1.947 5.278 -0.013 467 HG23 ILE 62 HG23 ILE 62 -0.883 6.376 -0.934 468 HD11 ILE 62 HD11 ILE 62 2.776 5.415 1.688 469 HD12 ILE 62 HD12 ILE 62 2.536 3.811 0.958 470 HD13 ILE 62 HD13 ILE 62 3.595 5.014 0.192 471 H LEU 63 H LEU 63 -2.310 7.139 1.310 472 HA LEU 63 HA LEU 63 -1.500 9.552 0.007 473 HB2 LEU 63 HB2 LEU 63 -4.100 8.526 1.082 474 HB3 LEU 63 HB3 LEU 63 -3.934 10.269 0.890 475 HG LEU 63 HG LEU 63 -3.285 10.028 -1.472 476 HD11 LEU 63 HD11 LEU 63 -3.800 7.050 -1.011 477 HD12 LEU 63 HD12 LEU 63 -2.310 7.836 -1.615 478 HD13 LEU 63 HD13 LEU 63 -3.753 7.817 -2.610 479 HD21 LEU 63 HD21 LEU 63 -5.613 10.390 -0.862 480 HD22 LEU 63 HD22 LEU 63 -5.841 8.628 -0.657 481 HD23 LEU 63 HD23 LEU 63 -5.523 9.303 -2.268 482 H ASP 64 H ASP 64 -1.961 8.730 3.372 483 HA ASP 64 HA ASP 64 -1.951 11.511 4.353 484 HB2 ASP 64 HB2 ASP 64 -1.508 8.833 5.738 485 HB3 ASP 64 HB3 ASP 64 -1.131 10.331 6.545 486 H HIS 65 H HIS 65 0.397 8.956 3.994 487 HA HIS 65 HA HIS 65 2.663 10.187 5.158 488 HB2 HIS 65 HB2 HIS 65 2.620 7.787 4.856 489 HB3 HIS 65 HB3 HIS 65 2.457 7.954 3.108 490 HD1 HIS 65 HD1 HIS 65 5.083 9.592 5.493 491 HD2 HIS 65 HD2 HIS 65 4.647 7.286 1.992 492 HE1 HIS 65 HE1 HIS 65 7.403 9.412 4.475 493 H ARG 66 H ARG 66 1.784 9.815 1.700 494 HA ARG 66 HA ARG 66 3.891 11.568 0.810 495 HB2 ARG 66 HB2 ARG 66 2.748 11.490 -1.363 496 HB3 ARG 66 HB3 ARG 66 2.944 9.898 -0.654 497 HG2 ARG 66 HG2 ARG 66 0.753 9.545 -1.040 498 HG3 ARG 66 HG3 ARG 66 0.443 10.634 0.300 499 HD2 ARG 66 HD2 ARG 66 -0.891 11.398 -1.446 500 HD3 ARG 66 HD3 ARG 66 0.440 12.536 -1.239 501 HE ARG 66 HE ARG 66 0.561 10.240 -3.175 502 HH11 ARG 66 HH11 ARG 66 0.790 13.787 -2.801 503 HH12 ARG 66 HH12 ARG 66 1.584 13.996 -4.311 504 HH21 ARG 66 HH21 ARG 66 1.935 10.508 -4.849 505 HH22 ARG 66 HH22 ARG 66 2.351 12.059 -5.524 506 H GLN 67 H GLN 67 0.558 12.135 1.986 507 HA GLN 67 HA GLN 67 0.726 14.944 1.133 508 HB2 GLN 67 HB2 GLN 67 -1.327 13.491 2.789 509 HB3 GLN 67 HB3 GLN 67 -1.353 15.239 2.548 510 HG2 GLN 67 HG2 GLN 67 -1.495 15.073 0.162 511 HG3 GLN 67 HG3 GLN 67 -1.195 13.349 0.179 512 HE21 GLN 67 HE21 GLN 67 -3.118 13.061 -1.146 513 HE22 GLN 67 HE22 GLN 67 -4.711 13.185 -0.483 514 H LEU 68 H LEU 68 2.083 13.202 3.770 515 HA LEU 68 HA LEU 68 2.504 15.712 5.296 516 HB2 LEU 68 HB2 LEU 68 2.465 12.806 6.047 517 HB3 LEU 68 HB3 LEU 68 3.240 13.982 7.097 518 HG LEU 68 HG LEU 68 0.361 14.351 6.169 519 HD11 LEU 68 HD11 LEU 68 -0.324 13.363 8.309 520 HD12 LEU 68 HD12 LEU 68 1.383 12.988 8.680 521 HD13 LEU 68 HD13 LEU 68 0.555 12.184 7.331 522 HD21 LEU 68 HD21 LEU 68 1.989 15.467 8.511 523 HD22 LEU 68 HD22 LEU 68 0.268 15.767 8.231 524 HD23 LEU 68 HD23 LEU 68 1.456 16.374 7.081 525 H HIS 69 H HIS 69 4.184 13.730 3.090 526 HA HIS 69 HA HIS 69 6.748 14.947 3.853 527 HB2 HIS 69 HB2 HIS 69 6.353 12.590 4.911 528 HB3 HIS 69 HB3 HIS 69 6.473 11.967 3.268 529 HD1 HIS 69 HD1 HIS 69 8.609 14.081 5.732 530 HD2 HIS 69 HD2 HIS 69 8.905 11.258 2.618 531 HE1 HIS 69 HE1 HIS 69 11.053 13.321 5.673 532 H ASP 70 H ASP 70 7.313 15.934 2.003 533 HA ASP 70 HA ASP 70 6.159 15.252 -0.613 534 HB2 ASP 70 HB2 ASP 70 6.389 17.606 0.028 535 HB3 ASP 70 HB3 ASP 70 8.129 17.417 0.263 Start of MODEL 12 1 H1 GLY 1 H GLY 1 26.699 -7.355 3.293 2 HA2 GLY 1 HA2 GLY 1 24.838 -7.897 1.825 3 HA3 GLY 1 HA3 GLY 1 23.778 -7.771 3.242 4 HA PRO 2 HA PRO 2 24.329 -3.528 1.175 5 HB2 PRO 2 HB2 PRO 2 22.171 -3.338 -0.463 6 HB3 PRO 2 HB3 PRO 2 23.688 -4.136 -0.968 7 HG2 PRO 2 HG2 PRO 2 21.178 -5.437 0.145 8 HG3 PRO 2 HG3 PRO 2 22.079 -5.877 -1.343 9 HD2 PRO 2 HD2 PRO 2 22.489 -7.175 1.027 10 HD3 PRO 2 HD3 PRO 2 23.837 -6.848 -0.105 11 H LEU 3 H LEU 3 22.510 -5.115 3.268 12 HA LEU 3 HA LEU 3 20.658 -4.892 4.559 13 HB2 LEU 3 HB2 LEU 3 22.970 -4.345 5.501 14 HB3 LEU 3 HB3 LEU 3 22.466 -2.678 5.516 15 HG LEU 3 HG LEU 3 21.366 -5.030 7.083 16 HD11 LEU 3 HD11 LEU 3 23.377 -3.976 7.978 17 HD12 LEU 3 HD12 LEU 3 22.006 -3.616 9.025 18 HD13 LEU 3 HD13 LEU 3 22.605 -2.374 7.915 19 HD21 LEU 3 HD21 LEU 3 19.762 -3.536 8.192 20 HD22 LEU 3 HD22 LEU 3 19.355 -3.827 6.519 21 HD23 LEU 3 HD23 LEU 3 20.103 -2.277 6.984 22 H GLY 4 H GLY 4 18.783 -4.256 3.561 23 HA2 GLY 4 HA2 GLY 4 16.936 -2.934 3.256 24 HA3 GLY 4 HA3 GLY 4 17.611 -1.852 4.471 25 H SER 5 H SER 5 18.694 -2.687 1.104 26 HA SER 5 HA SER 5 19.157 0.144 0.545 27 HB2 SER 5 HB2 SER 5 19.884 -0.815 -1.670 28 HB3 SER 5 HB3 SER 5 20.761 -1.413 -0.252 29 HG SER 5 HG SER 5 20.140 -3.045 -1.781 30 H THR 6 H THR 6 17.749 -1.868 -1.959 31 HA THR 6 HA THR 6 15.610 0.005 -2.433 32 HB THR 6 HB THR 6 15.869 -2.761 -3.680 33 HG1 THR 6 HG1 THR 6 17.407 -2.042 -5.014 34 HG21 THR 6 HG21 THR 6 15.049 -0.031 -4.794 35 HG22 THR 6 HG22 THR 6 13.949 -1.360 -4.369 36 HG23 THR 6 HG23 THR 6 15.090 -1.554 -5.707 37 H ASP 7 H ASP 7 13.754 -0.035 -1.289 38 HA ASP 7 HA ASP 7 12.539 -2.572 -0.308 39 HB2 ASP 7 HB2 ASP 7 13.146 -0.033 1.229 40 HB3 ASP 7 HB3 ASP 7 11.792 -1.059 1.681 41 H CYS 8 H CYS 8 12.217 -0.979 -2.689 42 HA CYS 8 HA CYS 8 9.836 0.616 -2.634 43 HB2 CYS 8 HB2 CYS 8 11.373 -0.759 -4.885 44 HB3 CYS 8 HB3 CYS 8 10.049 0.383 -5.134 45 HG CYS 8 HG CYS 8 12.515 1.247 -3.110 46 H SER 9 H SER 9 8.817 -1.439 -1.253 47 HA SER 9 HA SER 9 6.741 -2.475 -2.962 48 HB2 SER 9 HB2 SER 9 8.450 -4.169 -3.359 49 HB3 SER 9 HB3 SER 9 8.693 -4.389 -1.630 50 HG SER 9 HG SER 9 6.387 -5.029 -3.206 51 H ILE 10 H ILE 10 4.931 -3.012 -1.629 52 HA ILE 10 HA ILE 10 4.520 -1.414 0.614 53 HB ILE 10 HB ILE 10 2.936 -3.836 -0.296 54 HG12 ILE 10 HG12 ILE 10 2.482 -0.881 -0.817 55 HG13 ILE 10 HG13 ILE 10 3.239 -2.010 -1.932 56 HG21 ILE 10 HG21 ILE 10 1.018 -2.877 0.930 57 HG22 ILE 10 HG22 ILE 10 2.297 -3.378 1.989 58 HG23 ILE 10 HG23 ILE 10 2.101 -1.643 1.617 59 HD11 ILE 10 HD11 ILE 10 1.190 -3.465 -1.763 60 HD12 ILE 10 HD12 ILE 10 0.363 -2.093 -0.997 61 HD13 ILE 10 HD13 ILE 10 0.982 -1.958 -2.644 62 H VAL 11 H VAL 11 6.071 -4.466 0.498 63 HA VAL 11 HA VAL 11 5.516 -5.498 3.053 64 HB VAL 11 HB VAL 11 7.844 -6.363 3.005 65 HG11 VAL 11 HG11 VAL 11 6.271 -6.769 0.403 66 HG12 VAL 11 HG12 VAL 11 7.394 -7.923 1.136 67 HG13 VAL 11 HG13 VAL 11 5.867 -7.530 1.951 68 HG21 VAL 11 HG21 VAL 11 8.041 -5.034 0.273 69 HG22 VAL 11 HG22 VAL 11 9.060 -4.674 1.678 70 HG23 VAL 11 HG23 VAL 11 9.160 -6.248 0.904 71 H SER 12 H SER 12 7.950 -2.997 2.236 72 HA SER 12 HA SER 12 8.755 -2.671 5.005 73 HB2 SER 12 HB2 SER 12 10.268 -2.133 3.180 74 HB3 SER 12 HB3 SER 12 9.155 -0.898 2.559 75 HG SER 12 HG SER 12 11.091 -0.401 4.147 76 H PHE 13 H PHE 13 6.381 -1.050 2.901 77 HA PHE 13 HA PHE 13 5.840 1.086 4.719 78 HB2 PHE 13 HB2 PHE 13 5.173 1.144 2.348 79 HB3 PHE 13 HB3 PHE 13 3.996 -0.140 2.624 80 HD1 PHE 13 HD1 PHE 13 1.807 0.785 2.438 81 HD2 PHE 13 HD2 PHE 13 4.880 3.052 4.469 82 HE1 PHE 13 HE1 PHE 13 0.131 2.544 3.073 83 HE2 PHE 13 HE2 PHE 13 3.192 4.746 5.103 84 HZ PHE 13 HZ PHE 13 0.865 4.483 4.437 85 H PHE 14 H PHE 14 4.204 -2.058 4.227 86 HA PHE 14 HA PHE 14 2.330 -1.693 6.321 87 HB2 PHE 14 HB2 PHE 14 3.368 -4.077 4.783 88 HB3 PHE 14 HB3 PHE 14 2.417 -4.339 6.228 89 HD1 PHE 14 HD1 PHE 14 0.825 -5.534 4.760 90 HD2 PHE 14 HD2 PHE 14 1.518 -1.300 4.287 91 HE1 PHE 14 HE1 PHE 14 -1.244 -5.342 3.442 92 HE2 PHE 14 HE2 PHE 14 -0.580 -1.104 3.032 93 HZ PHE 14 HZ PHE 14 -1.988 -3.118 2.629 94 H ALA 15 H ALA 15 5.616 -3.095 6.320 95 HA ALA 15 HA ALA 15 5.543 -4.001 9.003 96 HB1 ALA 15 HB1 ALA 15 7.932 -2.935 7.433 97 HB2 ALA 15 HB2 ALA 15 7.993 -3.934 8.903 98 HB3 ALA 15 HB3 ALA 15 7.325 -4.608 7.411 99 H ARG 16 H ARG 16 6.083 -0.719 7.634 100 HA ARG 16 HA ARG 16 6.874 0.417 10.227 101 HB2 ARG 16 HB2 ARG 16 6.078 1.631 7.548 102 HB3 ARG 16 HB3 ARG 16 6.511 2.604 8.948 103 HG2 ARG 16 HG2 ARG 16 8.419 0.466 7.946 104 HG3 ARG 16 HG3 ARG 16 8.258 2.009 7.142 105 HD2 ARG 16 HD2 ARG 16 10.072 2.283 8.674 106 HD3 ARG 16 HD3 ARG 16 8.705 3.139 9.399 107 HE ARG 16 HE ARG 16 9.127 0.318 10.159 108 HH11 ARG 16 HH11 ARG 16 9.837 3.740 11.163 109 HH12 ARG 16 HH12 ARG 16 10.287 3.195 12.742 110 HH21 ARG 16 HH21 ARG 16 9.318 -0.113 12.456 111 HH22 ARG 16 HH22 ARG 16 9.983 1.159 13.449 112 H LEU 17 H LEU 17 3.901 0.071 8.414 113 HA LEU 17 HA LEU 17 2.395 1.925 10.138 114 HB2 LEU 17 HB2 LEU 17 1.398 -0.360 8.383 115 HB3 LEU 17 HB3 LEU 17 0.355 0.764 9.264 116 HG LEU 17 HG LEU 17 2.247 1.461 7.037 117 HD11 LEU 17 HD11 LEU 17 0.137 1.899 5.753 118 HD12 LEU 17 HD12 LEU 17 -0.775 1.184 7.098 119 HD13 LEU 17 HD13 LEU 17 0.393 0.207 6.186 120 HD21 LEU 17 HD21 LEU 17 0.223 3.208 8.540 121 HD22 LEU 17 HD22 LEU 17 1.063 3.703 7.051 122 HD23 LEU 17 HD23 LEU 17 1.983 3.420 8.518 123 H GLY 18 H GLY 18 2.591 -1.665 9.908 124 HA2 GLY 18 HA2 GLY 18 2.977 -2.627 12.292 125 HA3 GLY 18 HA3 GLY 18 1.382 -1.941 12.599 126 H CYS 19 H CYS 19 1.346 -2.849 9.341 127 HA CYS 19 HA CYS 19 -0.459 -5.026 9.881 128 HB2 CYS 19 HB2 CYS 19 0.426 -3.539 7.576 129 HB3 CYS 19 HB3 CYS 19 0.547 -5.269 7.210 130 HG CYS 19 HG CYS 19 -1.780 -3.752 6.659 131 H SER 20 H SER 20 -0.274 -7.256 9.200 132 HA SER 20 HA SER 20 2.444 -8.366 8.953 133 HB2 SER 20 HB2 SER 20 1.869 -10.080 10.697 134 HB3 SER 20 HB3 SER 20 2.191 -8.436 11.257 135 HG SER 20 HG SER 20 0.524 -9.063 12.357 136 H SER 21 H SER 21 -0.580 -10.151 9.555 137 HA SER 21 HA SER 21 -0.192 -11.861 7.406 138 HB2 SER 21 HB2 SER 21 -2.985 -11.137 8.306 139 HB3 SER 21 HB3 SER 21 -2.346 -12.701 7.773 140 HG SER 21 HG SER 21 -2.082 -11.332 10.215 141 H CYS 22 H CYS 22 -1.707 -8.605 7.252 142 HA CYS 22 HA CYS 22 -2.805 -9.100 4.637 143 HB2 CYS 22 HB2 CYS 22 -1.974 -6.369 5.654 144 HB3 CYS 22 HB3 CYS 22 -3.167 -6.770 4.416 145 HG CYS 22 HG CYS 22 -3.190 -7.290 7.648 146 H LEU 23 H LEU 23 0.491 -8.315 5.686 147 HA LEU 23 HA LEU 23 1.299 -7.335 3.083 148 HB2 LEU 23 HB2 LEU 23 3.328 -6.911 3.972 149 HB3 LEU 23 HB3 LEU 23 2.379 -6.881 5.437 150 HG LEU 23 HG LEU 23 3.184 -9.399 5.699 151 HD11 LEU 23 HD11 LEU 23 4.311 -9.505 3.436 152 HD12 LEU 23 HD12 LEU 23 5.353 -9.866 4.807 153 HD13 LEU 23 HD13 LEU 23 5.447 -8.270 4.029 154 HD21 LEU 23 HD21 LEU 23 5.134 -8.557 6.941 155 HD22 LEU 23 HD22 LEU 23 3.734 -7.517 7.202 156 HD23 LEU 23 HD23 LEU 23 5.027 -7.001 6.097 157 H ASP 24 H ASP 24 1.295 -10.364 4.941 158 HA ASP 24 HA ASP 24 2.642 -12.021 3.109 159 HB2 ASP 24 HB2 ASP 24 2.280 -12.640 5.404 160 HB3 ASP 24 HB3 ASP 24 0.535 -12.602 5.203 161 H TYR 25 H TYR 25 -0.713 -10.958 3.242 162 HA TYR 25 HA TYR 25 -1.687 -12.697 1.127 163 HB2 TYR 25 HB2 TYR 25 -2.776 -10.027 2.090 164 HB3 TYR 25 HB3 TYR 25 -3.625 -11.173 1.076 165 HD1 TYR 25 HD1 TYR 25 -4.724 -10.002 3.608 166 HD2 TYR 25 HD2 TYR 25 -2.514 -13.651 2.925 167 HE1 TYR 25 HE1 TYR 25 -5.575 -10.919 5.738 168 HE2 TYR 25 HE2 TYR 25 -3.399 -14.574 4.992 169 HH TYR 25 HH TYR 25 -5.478 -12.681 7.236 170 H PHE 26 H PHE 26 -0.744 -9.163 1.203 171 HA PHE 26 HA PHE 26 -0.888 -8.610 -1.466 172 HB2 PHE 26 HB2 PHE 26 0.321 -7.555 0.998 173 HB3 PHE 26 HB3 PHE 26 1.362 -7.244 -0.332 174 HD1 PHE 26 HD1 PHE 26 0.408 -6.074 -2.404 175 HD2 PHE 26 HD2 PHE 26 -1.799 -6.424 1.262 176 HE1 PHE 26 HE1 PHE 26 -0.945 -4.120 -3.063 177 HE2 PHE 26 HE2 PHE 26 -3.272 -4.616 0.549 178 HZ PHE 26 HZ PHE 26 -2.744 -3.307 -1.550 179 H THR 27 H THR 27 1.933 -10.092 0.265 180 HA THR 27 HA THR 27 3.701 -9.960 -1.986 181 HB THR 27 HB THR 27 5.020 -11.605 -0.557 182 HG1 THR 27 HG1 THR 27 3.804 -12.549 0.958 183 HG21 THR 27 HG21 THR 27 4.071 -9.023 0.791 184 HG22 THR 27 HG22 THR 27 5.465 -9.215 -0.312 185 HG23 THR 27 HG23 THR 27 5.466 -9.983 1.283 186 H THR 28 H THR 28 1.765 -12.670 -0.558 187 HA THR 28 HA THR 28 2.484 -14.469 -2.657 188 HB THR 28 HB THR 28 0.303 -14.404 -0.559 189 HG1 THR 28 HG1 THR 28 2.956 -15.181 -0.871 190 HG21 THR 28 HG21 THR 28 1.157 -16.790 -2.244 191 HG22 THR 28 HG22 THR 28 -0.447 -16.006 -2.237 192 HG23 THR 28 HG23 THR 28 0.123 -16.847 -0.798 193 H GLN 29 H GLN 29 0.054 -11.960 -2.605 194 HA GLN 29 HA GLN 29 -1.327 -12.996 -4.953 195 HB2 GLN 29 HB2 GLN 29 -1.401 -10.386 -3.401 196 HB3 GLN 29 HB3 GLN 29 -2.442 -10.731 -4.801 197 HG2 GLN 29 HG2 GLN 29 -3.501 -12.570 -3.840 198 HG3 GLN 29 HG3 GLN 29 -2.354 -12.732 -2.529 199 HE21 GLN 29 HE21 GLN 29 -4.118 -12.847 -1.091 200 HE22 GLN 29 HE22 GLN 29 -5.068 -11.449 -0.635 201 H GLY 30 H GLY 30 1.648 -11.575 -4.536 202 HA2 GLY 30 HA2 GLY 30 3.230 -10.684 -5.874 203 HA3 GLY 30 HA3 GLY 30 2.351 -11.427 -7.221 204 H LEU 31 H LEU 31 0.977 -8.929 -5.128 205 HA LEU 31 HA LEU 31 1.212 -6.907 -7.328 206 HB2 LEU 31 HB2 LEU 31 -1.135 -6.232 -6.744 207 HB3 LEU 31 HB3 LEU 31 -0.893 -7.744 -7.590 208 HG LEU 31 HG LEU 31 -1.126 -8.925 -5.325 209 HD11 LEU 31 HD11 LEU 31 -0.860 -7.129 -3.820 210 HD12 LEU 31 HD12 LEU 31 -2.500 -7.728 -3.665 211 HD13 LEU 31 HD13 LEU 31 -2.200 -6.203 -4.540 212 HD21 LEU 31 HD21 LEU 31 -3.425 -7.515 -6.673 213 HD22 LEU 31 HD22 LEU 31 -3.612 -8.799 -5.443 214 HD23 LEU 31 HD23 LEU 31 -2.785 -9.155 -6.963 215 H THR 32 H THR 32 2.747 -7.272 -4.684 216 HA THR 32 HA THR 32 1.889 -4.857 -3.228 217 HB THR 32 HB THR 32 2.520 -6.675 -1.897 218 HG1 THR 32 HG1 THR 32 4.540 -6.067 -0.964 219 HG21 THR 32 HG21 THR 32 3.625 -8.205 -3.361 220 HG22 THR 32 HG22 THR 32 4.662 -7.892 -1.977 221 HG23 THR 32 HG23 THR 32 5.031 -7.129 -3.531 222 H THR 33 H THR 33 2.429 -2.838 -4.041 223 HA THR 33 HA THR 33 5.234 -2.374 -4.515 224 HB THR 33 HB THR 33 4.990 -2.599 -6.751 225 HG1 THR 33 HG1 THR 33 4.704 -0.731 -7.550 226 HG21 THR 33 HG21 THR 33 2.939 -3.981 -6.709 227 HG22 THR 33 HG22 THR 33 2.942 -2.844 -8.011 228 HG23 THR 33 HG23 THR 33 1.901 -2.541 -6.581 229 H ILE 34 H ILE 34 5.666 -0.093 -4.228 230 HA ILE 34 HA ILE 34 3.658 1.287 -2.619 231 HB ILE 34 HB ILE 34 6.370 2.326 -3.511 232 HG12 ILE 34 HG12 ILE 34 6.592 0.127 -2.277 233 HG13 ILE 34 HG13 ILE 34 7.404 1.501 -1.588 234 HG21 ILE 34 HG21 ILE 34 6.144 3.646 -1.385 235 HG22 ILE 34 HG22 ILE 34 4.965 4.085 -2.638 236 HG23 ILE 34 HG23 ILE 34 4.465 3.088 -1.255 237 HD11 ILE 34 HD11 ILE 34 6.306 0.138 0.156 238 HD12 ILE 34 HD12 ILE 34 5.663 1.757 0.137 239 HD13 ILE 34 HD13 ILE 34 4.722 0.439 -0.604 240 H TYR 35 H TYR 35 5.379 1.942 -5.611 241 HA TYR 35 HA TYR 35 4.280 4.367 -6.384 242 HB2 TYR 35 HB2 TYR 35 5.411 2.067 -8.030 243 HB3 TYR 35 HB3 TYR 35 5.109 3.674 -8.645 244 HD1 TYR 35 HD1 TYR 35 7.035 2.075 -5.736 245 HD2 TYR 35 HD2 TYR 35 6.902 5.138 -8.774 246 HE1 TYR 35 HE1 TYR 35 9.229 2.826 -5.026 247 HE2 TYR 35 HE2 TYR 35 9.141 5.873 -8.099 248 HH TYR 35 HH TYR 35 11.079 5.254 -6.879 249 H GLN 36 H GLN 36 3.025 1.105 -6.699 250 HA GLN 36 HA GLN 36 0.998 1.930 -8.681 251 HB2 GLN 36 HB2 GLN 36 1.407 -0.670 -7.191 252 HB3 GLN 36 HB3 GLN 36 0.048 -0.361 -8.262 253 HG2 GLN 36 HG2 GLN 36 1.653 0.257 -10.100 254 HG3 GLN 36 HG3 GLN 36 2.943 -0.424 -9.129 255 HE21 GLN 36 HE21 GLN 36 0.473 -2.620 -8.392 256 HE22 GLN 36 HE22 GLN 36 0.792 -3.693 -9.722 257 H ILE 37 H ILE 37 0.933 1.044 -5.121 258 HA ILE 37 HA ILE 37 -1.866 1.551 -4.955 259 HB ILE 37 HB ILE 37 -1.552 1.822 -2.520 260 HG12 ILE 37 HG12 ILE 37 1.359 1.260 -3.098 261 HG13 ILE 37 HG13 ILE 37 0.729 2.833 -2.623 262 HG21 ILE 37 HG21 ILE 37 -0.371 -0.615 -3.895 263 HG22 ILE 37 HG22 ILE 37 -1.000 -0.567 -2.236 264 HG23 ILE 37 HG23 ILE 37 -2.090 -0.273 -3.581 265 HD11 ILE 37 HD11 ILE 37 0.617 0.334 -0.932 266 HD12 ILE 37 HD12 ILE 37 1.781 1.661 -0.784 267 HD13 ILE 37 HD13 ILE 37 0.050 1.951 -0.459 268 H GLU 38 H GLU 38 0.882 3.780 -4.932 269 HA GLU 38 HA GLU 38 -0.442 6.067 -3.944 270 HB2 GLU 38 HB2 GLU 38 1.817 5.590 -5.916 271 HB3 GLU 38 HB3 GLU 38 1.183 7.209 -5.653 272 HG2 GLU 38 HG2 GLU 38 1.626 7.012 -3.218 273 HG3 GLU 38 HG3 GLU 38 2.265 5.383 -3.456 274 H HIS 39 H HIS 39 -0.471 4.619 -7.268 275 HA HIS 39 HA HIS 39 -2.308 6.758 -8.159 276 HB2 HIS 39 HB2 HIS 39 -0.841 4.516 -9.568 277 HB3 HIS 39 HB3 HIS 39 -2.097 5.490 -10.319 278 HD1 HIS 39 HD1 HIS 39 -0.464 6.495 -12.099 279 HD2 HIS 39 HD2 HIS 39 0.466 7.358 -8.075 280 HE1 HIS 39 HE1 HIS 39 1.314 8.314 -12.141 281 H TYR 40 H TYR 40 -2.449 3.369 -7.151 282 HA TYR 40 HA TYR 40 -5.016 2.884 -8.345 283 HB2 TYR 40 HB2 TYR 40 -3.306 1.388 -6.331 284 HB3 TYR 40 HB3 TYR 40 -4.963 0.914 -6.595 285 HD1 TYR 40 HD1 TYR 40 -1.890 -0.476 -7.396 286 HD2 TYR 40 HD2 TYR 40 -5.412 1.191 -9.434 287 HE1 TYR 40 HE1 TYR 40 -1.545 -1.892 -9.325 288 HE2 TYR 40 HE2 TYR 40 -4.982 -0.267 -11.321 289 HH TYR 40 HH TYR 40 -2.142 -2.411 -11.516 290 H SER 41 H SER 41 -6.762 3.995 -7.777 291 HA SER 41 HA SER 41 -7.020 5.215 -5.204 292 HB2 SER 41 HB2 SER 41 -9.277 4.817 -7.152 293 HB3 SER 41 HB3 SER 41 -9.045 6.120 -5.988 294 HG SER 41 HG SER 41 -7.199 6.781 -7.204 295 H MET 42 H MET 42 -9.193 4.830 -3.915 296 HA MET 42 HA MET 42 -9.105 2.400 -2.621 297 HB2 MET 42 HB2 MET 42 -11.508 4.231 -3.011 298 HB3 MET 42 HB3 MET 42 -11.428 2.912 -1.839 299 HG2 MET 42 HG2 MET 42 -9.497 4.063 -0.736 300 HG3 MET 42 HG3 MET 42 -9.718 5.397 -1.883 301 HE1 MET 42 HE1 MET 42 -12.335 3.167 0.253 302 HE2 MET 42 HE2 MET 42 -10.966 3.605 1.310 303 HE3 MET 42 HE3 MET 42 -12.573 4.306 1.591 304 H ASP 43 H ASP 43 -11.099 3.158 -5.520 305 HA ASP 43 HA ASP 43 -12.710 0.801 -5.306 306 HB2 ASP 43 HB2 ASP 43 -13.311 2.853 -6.596 307 HB3 ASP 43 HB3 ASP 43 -12.092 2.407 -7.804 308 H ASP 44 H ASP 44 -9.546 1.419 -6.895 309 HA ASP 44 HA ASP 44 -9.571 -1.068 -8.346 310 HB2 ASP 44 HB2 ASP 44 -7.626 1.092 -7.845 311 HB3 ASP 44 HB3 ASP 44 -6.876 -0.496 -7.811 312 H LEU 45 H LEU 45 -8.640 -0.111 -5.099 313 HA LEU 45 HA LEU 45 -7.430 -2.616 -4.309 314 HB2 LEU 45 HB2 LEU 45 -8.915 -0.698 -2.466 315 HB3 LEU 45 HB3 LEU 45 -7.744 -1.927 -2.022 316 HG LEU 45 HG LEU 45 -7.216 0.698 -3.463 317 HD11 LEU 45 HD11 LEU 45 -5.761 0.992 -1.344 318 HD12 LEU 45 HD12 LEU 45 -6.640 -0.377 -0.677 319 HD13 LEU 45 HD13 LEU 45 -7.507 1.110 -1.145 320 HD21 LEU 45 HD21 LEU 45 -5.712 -0.917 -4.449 321 HD22 LEU 45 HD22 LEU 45 -5.254 -1.547 -2.853 322 HD23 LEU 45 HD23 LEU 45 -4.807 0.111 -3.336 323 H ALA 46 H ALA 46 -10.772 -1.311 -4.290 324 HA ALA 46 HA ALA 46 -12.002 -3.526 -2.972 325 HB1 ALA 46 HB1 ALA 46 -14.071 -2.715 -3.793 326 HB2 ALA 46 HB2 ALA 46 -13.082 -1.246 -3.601 327 HB3 ALA 46 HB3 ALA 46 -13.346 -1.940 -5.201 328 H SER 47 H SER 47 -11.203 -2.923 -6.423 329 HA SER 47 HA SER 47 -12.495 -5.224 -7.414 330 HB2 SER 47 HB2 SER 47 -11.541 -3.195 -8.711 331 HB3 SER 47 HB3 SER 47 -9.987 -4.059 -8.652 332 HG SER 47 HG SER 47 -11.219 -4.519 -10.540 333 H LEU 48 H LEU 48 -9.218 -4.770 -6.125 334 HA LEU 48 HA LEU 48 -8.398 -7.507 -6.556 335 HB2 LEU 48 HB2 LEU 48 -7.365 -5.414 -4.607 336 HB3 LEU 48 HB3 LEU 48 -6.582 -6.960 -4.918 337 HG LEU 48 HG LEU 48 -7.005 -4.735 -6.936 338 HD11 LEU 48 HD11 LEU 48 -4.502 -5.741 -5.534 339 HD12 LEU 48 HD12 LEU 48 -5.334 -4.192 -5.239 340 HD13 LEU 48 HD13 LEU 48 -4.554 -4.496 -6.798 341 HD21 LEU 48 HD21 LEU 48 -7.034 -6.786 -8.174 342 HD22 LEU 48 HD22 LEU 48 -5.662 -7.439 -7.252 343 HD23 LEU 48 HD23 LEU 48 -5.435 -6.077 -8.375 344 H LYS 49 H LYS 49 -10.996 -6.850 -4.961 345 HA LYS 49 HA LYS 49 -12.358 -7.844 -3.518 346 HB2 LYS 49 HB2 LYS 49 -10.267 -10.000 -3.079 347 HB3 LYS 49 HB3 LYS 49 -11.991 -10.097 -2.770 348 HG2 LYS 49 HG2 LYS 49 -10.725 -9.816 -5.530 349 HG3 LYS 49 HG3 LYS 49 -11.294 -11.321 -4.813 350 HD2 LYS 49 HD2 LYS 49 -13.578 -10.473 -4.705 351 HD3 LYS 49 HD3 LYS 49 -13.086 -8.914 -5.381 352 HE2 LYS 49 HE2 LYS 49 -12.833 -11.592 -6.812 353 HE3 LYS 49 HE3 LYS 49 -14.171 -10.456 -7.021 354 HZ1 LYS 49 HZ1 LYS 49 -12.584 -8.817 -7.853 355 HZ2 LYS 49 HZ2 LYS 49 -12.520 -10.207 -8.741 356 HZ3 LYS 49 HZ3 LYS 49 -11.343 -9.869 -7.646 357 H ILE 50 H ILE 50 -9.864 -6.196 -2.603 358 HA ILE 50 HA ILE 50 -9.417 -6.855 0.131 359 HB ILE 50 HB ILE 50 -9.158 -4.107 -1.089 360 HG12 ILE 50 HG12 ILE 50 -8.004 -5.781 -2.545 361 HG13 ILE 50 HG13 ILE 50 -6.896 -4.713 -1.732 362 HG21 ILE 50 HG21 ILE 50 -8.879 -4.320 1.394 363 HG22 ILE 50 HG22 ILE 50 -7.661 -5.563 1.101 364 HG23 ILE 50 HG23 ILE 50 -7.355 -3.898 0.581 365 HD11 ILE 50 HD11 ILE 50 -7.508 -7.503 -0.666 366 HD12 ILE 50 HD12 ILE 50 -6.297 -7.189 -1.906 367 HD13 ILE 50 HD13 ILE 50 -6.119 -6.442 -0.301 368 HA PRO 51 HA PRO 51 -13.415 -5.520 1.741 369 HB2 PRO 51 HB2 PRO 51 -12.918 -5.822 4.415 370 HB3 PRO 51 HB3 PRO 51 -13.212 -7.200 3.304 371 HG2 PRO 51 HG2 PRO 51 -10.565 -6.132 4.299 372 HG3 PRO 51 HG3 PRO 51 -11.105 -7.836 4.203 373 HD2 PRO 51 HD2 PRO 51 -9.532 -6.691 2.292 374 HD3 PRO 51 HD3 PRO 51 -10.776 -7.906 1.874 375 H GLU 52 H GLU 52 -14.125 -3.462 2.169 376 HA GLU 52 HA GLU 52 -12.413 -1.314 2.130 377 HB2 GLU 52 HB2 GLU 52 -14.285 0.110 2.796 378 HB3 GLU 52 HB3 GLU 52 -14.642 -1.024 1.509 379 HG2 GLU 52 HG2 GLU 52 -15.853 -2.493 3.083 380 HG3 GLU 52 HG3 GLU 52 -15.517 -1.338 4.385 381 H GLN 53 H GLN 53 -13.329 -3.038 5.076 382 HA GLN 53 HA GLN 53 -12.665 -1.134 7.007 383 HB2 GLN 53 HB2 GLN 53 -13.611 -3.415 7.410 384 HB3 GLN 53 HB3 GLN 53 -12.075 -4.151 7.017 385 HG2 GLN 53 HG2 GLN 53 -12.057 -2.064 9.181 386 HG3 GLN 53 HG3 GLN 53 -12.913 -3.562 9.524 387 HE21 GLN 53 HE21 GLN 53 -11.743 -5.484 9.925 388 HE22 GLN 53 HE22 GLN 53 -10.018 -5.399 10.236 389 H PHE 54 H PHE 54 -10.525 -3.524 5.455 390 HA PHE 54 HA PHE 54 -8.092 -2.323 6.567 391 HB2 PHE 54 HB2 PHE 54 -8.076 -4.623 6.582 392 HB3 PHE 54 HB3 PHE 54 -8.852 -4.773 5.010 393 HD1 PHE 54 HD1 PHE 54 -7.632 -5.248 3.144 394 HD2 PHE 54 HD2 PHE 54 -5.629 -3.494 6.545 395 HE1 PHE 54 HE1 PHE 54 -5.435 -5.454 1.976 396 HE2 PHE 54 HE2 PHE 54 -3.471 -3.705 5.402 397 HZ PHE 54 HZ PHE 54 -3.383 -4.702 3.077 398 H ARG 55 H ARG 55 -9.609 -2.664 3.279 399 HA ARG 55 HA ARG 55 -7.488 -1.479 1.891 400 HB2 ARG 55 HB2 ARG 55 -8.734 -1.949 0.175 401 HB3 ARG 55 HB3 ARG 55 -10.014 -2.440 1.255 402 HG2 ARG 55 HG2 ARG 55 -10.903 -0.046 1.138 403 HG3 ARG 55 HG3 ARG 55 -9.691 0.248 -0.129 404 HD2 ARG 55 HD2 ARG 55 -10.653 -1.649 -1.444 405 HD3 ARG 55 HD3 ARG 55 -11.838 -1.920 -0.174 406 HE ARG 55 HE ARG 55 -11.612 0.543 -1.862 407 HH11 ARG 55 HH11 ARG 55 -13.723 -2.074 -0.726 408 HH12 ARG 55 HH12 ARG 55 -15.156 -1.151 -0.923 409 HH21 ARG 55 HH21 ARG 55 -13.693 1.840 -2.036 410 HH22 ARG 55 HH22 ARG 55 -15.097 1.053 -1.429 411 H HIS 56 H HIS 56 -10.123 0.207 3.666 412 HA HIS 56 HA HIS 56 -9.352 2.830 2.784 413 HB2 HIS 56 HB2 HIS 56 -11.569 2.106 3.703 414 HB3 HIS 56 HB3 HIS 56 -10.826 1.905 5.289 415 HD1 HIS 56 HD1 HIS 56 -9.293 4.783 5.256 416 HD2 HIS 56 HD2 HIS 56 -13.273 3.971 4.206 417 HE1 HIS 56 HE1 HIS 56 -10.648 6.897 5.858 418 H ALA 57 H ALA 57 -8.001 0.605 5.248 419 HA ALA 57 HA ALA 57 -6.711 2.687 6.770 420 HB1 ALA 57 HB1 ALA 57 -6.350 -0.332 6.708 421 HB2 ALA 57 HB2 ALA 57 -5.563 0.768 7.823 422 HB3 ALA 57 HB3 ALA 57 -7.339 0.611 7.840 423 H ILE 58 H ILE 58 -5.571 0.260 4.275 424 HA ILE 58 HA ILE 58 -2.899 1.188 4.273 425 HB ILE 58 HB ILE 58 -3.108 -0.844 3.275 426 HG12 ILE 58 HG12 ILE 58 -3.171 1.041 0.840 427 HG13 ILE 58 HG13 ILE 58 -1.751 0.726 1.854 428 HG21 ILE 58 HG21 ILE 58 -5.516 -1.009 2.951 429 HG22 ILE 58 HG22 ILE 58 -5.383 -0.047 1.448 430 HG23 ILE 58 HG23 ILE 58 -4.640 -1.647 1.601 431 HD11 ILE 58 HD11 ILE 58 -1.519 -0.505 -0.140 432 HD12 ILE 58 HD12 ILE 58 -1.932 -1.701 1.081 433 HD13 ILE 58 HD13 ILE 58 -3.169 -1.146 -0.065 434 H TRP 59 H TRP 59 -5.675 2.005 2.230 435 HA TRP 59 HA TRP 59 -4.390 3.847 0.561 436 HB2 TRP 59 HB2 TRP 59 -6.754 2.728 0.480 437 HB3 TRP 59 HB3 TRP 59 -7.292 4.180 1.312 438 HD1 TRP 59 HD1 TRP 59 -5.492 2.991 -1.862 439 HE1 TRP 59 HE1 TRP 59 -5.792 4.648 -3.742 440 HE3 TRP 59 HE3 TRP 59 -7.947 6.527 0.728 441 HZ2 TRP 59 HZ2 TRP 59 -7.485 7.091 -4.176 442 HZ3 TRP 59 HZ3 TRP 59 -8.955 8.535 -0.398 443 HH2 TRP 59 HH2 TRP 59 -8.784 8.770 -2.864 444 H LYS 60 H LYS 60 -6.286 4.520 3.577 445 HA LYS 60 HA LYS 60 -5.825 7.272 3.668 446 HB2 LYS 60 HB2 LYS 60 -7.367 6.050 5.132 447 HB3 LYS 60 HB3 LYS 60 -6.020 5.264 5.963 448 HG2 LYS 60 HG2 LYS 60 -5.373 7.352 7.005 449 HG3 LYS 60 HG3 LYS 60 -6.443 8.273 5.945 450 HD2 LYS 60 HD2 LYS 60 -7.500 8.109 8.105 451 HD3 LYS 60 HD3 LYS 60 -8.426 7.154 6.944 452 HE2 LYS 60 HE2 LYS 60 -7.205 5.087 7.810 453 HE3 LYS 60 HE3 LYS 60 -6.467 6.121 9.035 454 HZ1 LYS 60 HZ1 LYS 60 -8.331 5.060 9.972 455 HZ2 LYS 60 HZ2 LYS 60 -9.344 5.449 8.781 456 HZ3 LYS 60 HZ3 LYS 60 -8.765 6.631 9.804 457 H GLY 61 H GLY 61 -3.696 4.622 4.824 458 HA2 GLY 61 HA2 GLY 61 -1.754 6.253 6.091 459 HA3 GLY 61 HA3 GLY 61 -1.471 4.637 5.410 460 H ILE 62 H ILE 62 -1.692 4.945 2.696 461 HA ILE 62 HA ILE 62 0.823 6.296 2.237 462 HB ILE 62 HB ILE 62 0.235 4.320 1.241 463 HG12 ILE 62 HG12 ILE 62 0.874 4.715 -1.171 464 HG13 ILE 62 HG13 ILE 62 0.635 6.443 -0.909 465 HG21 ILE 62 HG21 ILE 62 -1.282 3.928 -0.579 466 HG22 ILE 62 HG22 ILE 62 -2.184 4.555 0.789 467 HG23 ILE 62 HG23 ILE 62 -1.802 5.620 -0.576 468 HD11 ILE 62 HD11 ILE 62 2.621 4.691 0.600 469 HD12 ILE 62 HD12 ILE 62 3.014 5.721 -0.798 470 HD13 ILE 62 HD13 ILE 62 2.480 6.464 0.718 471 H LEU 63 H LEU 63 -2.551 7.072 1.492 472 HA LEU 63 HA LEU 63 -1.949 9.402 -0.062 473 HB2 LEU 63 HB2 LEU 63 -4.366 8.463 1.495 474 HB3 LEU 63 HB3 LEU 63 -4.299 10.127 0.983 475 HG LEU 63 HG LEU 63 -5.548 8.606 -0.561 476 HD11 LEU 63 HD11 LEU 63 -4.575 9.626 -2.630 477 HD12 LEU 63 HD12 LEU 63 -3.206 10.188 -1.671 478 HD13 LEU 63 HD13 LEU 63 -4.835 10.768 -1.302 479 HD21 LEU 63 HD21 LEU 63 -4.055 6.637 -0.606 480 HD22 LEU 63 HD22 LEU 63 -2.811 7.600 -1.442 481 HD23 LEU 63 HD23 LEU 63 -4.367 7.273 -2.221 482 H ASP 64 H ASP 64 -2.063 8.739 3.324 483 HA ASP 64 HA ASP 64 -1.931 11.483 4.344 484 HB2 ASP 64 HB2 ASP 64 -2.867 9.966 5.826 485 HB3 ASP 64 HB3 ASP 64 -1.640 8.745 5.529 486 H HIS 65 H HIS 65 0.328 9.019 3.433 487 HA HIS 65 HA HIS 65 2.635 10.074 4.718 488 HB2 HIS 65 HB2 HIS 65 2.508 7.730 4.058 489 HB3 HIS 65 HB3 HIS 65 2.414 8.182 2.356 490 HD1 HIS 65 HD1 HIS 65 5.000 9.131 5.133 491 HD2 HIS 65 HD2 HIS 65 4.623 7.728 1.173 492 HE1 HIS 65 HE1 HIS 65 7.382 8.842 4.239 493 H ARG 66 H ARG 66 1.502 10.175 1.321 494 HA ARG 66 HA ARG 66 3.586 12.100 0.645 495 HB2 ARG 66 HB2 ARG 66 2.709 12.211 -1.505 496 HB3 ARG 66 HB3 ARG 66 2.407 10.582 -0.933 497 HG2 ARG 66 HG2 ARG 66 0.041 12.090 -0.306 498 HG3 ARG 66 HG3 ARG 66 0.505 12.554 -1.961 499 HD2 ARG 66 HD2 ARG 66 0.093 9.967 -0.588 500 HD3 ARG 66 HD3 ARG 66 -1.068 10.688 -1.706 501 HE ARG 66 HE ARG 66 1.538 9.425 -2.479 502 HH11 ARG 66 HH11 ARG 66 -1.148 11.415 -3.654 503 HH12 ARG 66 HH12 ARG 66 -0.635 11.333 -5.299 504 HH21 ARG 66 HH21 ARG 66 2.127 9.200 -4.638 505 HH22 ARG 66 HH22 ARG 66 1.188 9.938 -5.879 506 H GLN 67 H GLN 67 0.221 12.313 1.632 507 HA GLN 67 HA GLN 67 -0.241 15.077 1.200 508 HB2 GLN 67 HB2 GLN 67 -2.061 13.718 1.820 509 HB3 GLN 67 HB3 GLN 67 -1.220 13.103 3.258 510 HG2 GLN 67 HG2 GLN 67 -1.510 15.127 4.420 511 HG3 GLN 67 HG3 GLN 67 -2.179 15.921 2.972 512 HE21 GLN 67 HE21 GLN 67 -2.892 13.733 5.692 513 HE22 GLN 67 HE22 GLN 67 -4.601 13.572 5.282 514 H LEU 68 H LEU 68 1.567 13.492 3.833 515 HA LEU 68 HA LEU 68 2.030 16.145 5.060 516 HB2 LEU 68 HB2 LEU 68 2.442 13.299 5.948 517 HB3 LEU 68 HB3 LEU 68 3.092 14.673 6.870 518 HG LEU 68 HG LEU 68 0.135 14.292 6.167 519 HD11 LEU 68 HD11 LEU 68 -0.182 13.554 8.429 520 HD12 LEU 68 HD12 LEU 68 1.513 13.896 8.836 521 HD13 LEU 68 HD13 LEU 68 1.089 12.570 7.720 522 HD21 LEU 68 HD21 LEU 68 0.665 16.668 6.550 523 HD22 LEU 68 HD22 LEU 68 1.547 16.260 8.029 524 HD23 LEU 68 HD23 LEU 68 -0.212 16.036 7.936 525 H HIS 69 H HIS 69 3.836 13.914 2.912 526 HA HIS 69 HA HIS 69 6.122 15.683 3.314 527 HB2 HIS 69 HB2 HIS 69 5.955 12.739 3.685 528 HB3 HIS 69 HB3 HIS 69 7.188 13.264 2.579 529 HD1 HIS 69 HD1 HIS 69 7.224 12.355 5.965 530 HD2 HIS 69 HD2 HIS 69 8.320 15.882 3.925 531 HE1 HIS 69 HE1 HIS 69 8.689 13.673 7.546 532 H ASP 70 H ASP 70 6.048 16.836 1.645 533 HA ASP 70 HA ASP 70 5.886 15.706 -1.105 534 HB2 ASP 70 HB2 ASP 70 3.839 16.985 -0.651 535 HB3 ASP 70 HB3 ASP 70 4.770 18.303 0.029 Start of MODEL 13 1 H1 GLY 1 H GLY 1 10.523 -19.738 0.159 2 HA2 GLY 1 HA2 GLY 1 12.072 -17.889 0.379 3 HA3 GLY 1 HA3 GLY 1 12.698 -19.061 -0.800 4 HA PRO 2 HA PRO 2 11.104 -14.984 -2.879 5 HB2 PRO 2 HB2 PRO 2 12.601 -12.838 -2.037 6 HB3 PRO 2 HB3 PRO 2 11.099 -13.381 -1.252 7 HG2 PRO 2 HG2 PRO 2 13.943 -14.034 -0.436 8 HG3 PRO 2 HG3 PRO 2 12.606 -13.439 0.600 9 HD2 PRO 2 HD2 PRO 2 13.204 -16.075 0.439 10 HD3 PRO 2 HD3 PRO 2 11.506 -15.520 0.562 11 H LEU 3 H LEU 3 14.474 -15.824 -2.097 12 HA LEU 3 HA LEU 3 16.414 -15.491 -3.146 13 HB2 LEU 3 HB2 LEU 3 16.702 -16.712 -5.076 14 HB3 LEU 3 HB3 LEU 3 15.545 -17.563 -4.083 15 HG LEU 3 HG LEU 3 14.432 -15.772 -6.268 16 HD11 LEU 3 HD11 LEU 3 15.790 -18.435 -6.729 17 HD12 LEU 3 HD12 LEU 3 16.347 -16.870 -7.350 18 HD13 LEU 3 HD13 LEU 3 14.825 -17.550 -7.946 19 HD21 LEU 3 HD21 LEU 3 12.889 -17.699 -6.565 20 HD22 LEU 3 HD22 LEU 3 12.833 -17.045 -4.940 21 HD23 LEU 3 HD23 LEU 3 13.715 -18.552 -5.230 22 H GLY 4 H GLY 4 15.028 -13.010 -3.116 23 HA2 GLY 4 HA2 GLY 4 16.437 -11.569 -5.229 24 HA3 GLY 4 HA3 GLY 4 14.672 -11.414 -5.176 25 H SER 5 H SER 5 15.481 -9.072 -4.754 26 HA SER 5 HA SER 5 15.687 -8.594 -1.818 27 HB2 SER 5 HB2 SER 5 17.191 -7.114 -4.003 28 HB3 SER 5 HB3 SER 5 17.320 -6.828 -2.265 29 HG SER 5 HG SER 5 18.742 -8.452 -3.747 30 H THR 6 H THR 6 14.695 -6.606 -1.142 31 HA THR 6 HA THR 6 13.349 -4.907 -3.141 32 HB THR 6 HB THR 6 11.209 -5.204 -1.547 33 HG1 THR 6 HG1 THR 6 12.196 -6.915 -0.335 34 HG21 THR 6 HG21 THR 6 10.169 -6.539 -3.214 35 HG22 THR 6 HG22 THR 6 11.727 -7.156 -3.811 36 HG23 THR 6 HG23 THR 6 11.287 -5.446 -4.026 37 H ASP 7 H ASP 7 15.184 -3.689 -2.237 38 HA ASP 7 HA ASP 7 15.478 -2.855 0.423 39 HB2 ASP 7 HB2 ASP 7 16.221 -1.782 -2.275 40 HB3 ASP 7 HB3 ASP 7 16.231 -0.628 -0.957 41 H CYS 8 H CYS 8 13.265 -1.638 -2.048 42 HA CYS 8 HA CYS 8 11.712 -0.178 -0.008 43 HB2 CYS 8 HB2 CYS 8 12.965 1.089 -2.475 44 HB3 CYS 8 HB3 CYS 8 11.519 1.747 -1.697 45 HG CYS 8 HG CYS 8 14.035 0.846 0.154 46 H SER 9 H SER 9 9.817 -1.237 -0.215 47 HA SER 9 HA SER 9 8.326 -1.263 -2.634 48 HB2 SER 9 HB2 SER 9 9.762 -3.229 -3.064 49 HB3 SER 9 HB3 SER 9 9.302 -3.925 -1.512 50 HG SER 9 HG SER 9 8.129 -4.100 -3.877 51 H ILE 10 H ILE 10 6.156 -2.493 -1.969 52 HA ILE 10 HA ILE 10 5.109 -1.140 0.260 53 HB ILE 10 HB ILE 10 4.123 -3.106 -1.611 54 HG12 ILE 10 HG12 ILE 10 3.662 -0.684 -1.568 55 HG13 ILE 10 HG13 ILE 10 2.208 -1.672 -1.653 56 HG21 ILE 10 HG21 ILE 10 3.577 -4.552 0.280 57 HG22 ILE 10 HG22 ILE 10 2.719 -3.234 1.075 58 HG23 ILE 10 HG23 ILE 10 2.109 -3.872 -0.454 59 HD11 ILE 10 HD11 ILE 10 1.406 -0.843 0.282 60 HD12 ILE 10 HD12 ILE 10 2.949 -0.984 1.124 61 HD13 ILE 10 HD13 ILE 10 2.636 0.425 0.107 62 H VAL 11 H VAL 11 6.798 -4.193 0.303 63 HA VAL 11 HA VAL 11 5.894 -5.190 2.753 64 HB VAL 11 HB VAL 11 8.358 -5.911 3.017 65 HG11 VAL 11 HG11 VAL 11 6.470 -7.264 2.182 66 HG12 VAL 11 HG12 VAL 11 6.751 -6.689 0.529 67 HG13 VAL 11 HG13 VAL 11 7.959 -7.708 1.358 68 HG21 VAL 11 HG21 VAL 11 8.553 -5.069 0.097 69 HG22 VAL 11 HG22 VAL 11 9.437 -4.279 1.436 70 HG23 VAL 11 HG23 VAL 11 9.750 -5.965 1.029 71 H SER 12 H SER 12 8.391 -2.707 2.202 72 HA SER 12 HA SER 12 9.035 -2.262 4.919 73 HB2 SER 12 HB2 SER 12 10.263 -1.594 2.747 74 HB3 SER 12 HB3 SER 12 9.130 -0.236 2.643 75 HG SER 12 HG SER 12 10.972 0.424 3.651 76 H PHE 13 H PHE 13 6.593 -0.700 2.740 77 HA PHE 13 HA PHE 13 5.818 1.168 4.787 78 HB2 PHE 13 HB2 PHE 13 5.408 1.509 2.378 79 HB3 PHE 13 HB3 PHE 13 4.215 0.218 2.400 80 HD1 PHE 13 HD1 PHE 13 1.932 0.917 2.605 81 HD2 PHE 13 HD2 PHE 13 5.062 3.386 4.265 82 HE1 PHE 13 HE1 PHE 13 0.243 2.619 3.296 83 HE2 PHE 13 HE2 PHE 13 3.364 5.063 4.954 84 HZ PHE 13 HZ PHE 13 0.993 4.661 4.508 85 H PHE 14 H PHE 14 4.476 -2.040 3.837 86 HA PHE 14 HA PHE 14 2.333 -1.959 5.699 87 HB2 PHE 14 HB2 PHE 14 3.709 -4.087 4.099 88 HB3 PHE 14 HB3 PHE 14 2.622 -4.580 5.356 89 HD1 PHE 14 HD1 PHE 14 1.010 -5.574 3.794 90 HD2 PHE 14 HD2 PHE 14 1.986 -1.376 3.507 91 HE1 PHE 14 HE1 PHE 14 -0.939 -5.192 2.315 92 HE2 PHE 14 HE2 PHE 14 0.095 -0.982 2.165 93 HZ PHE 14 HZ PHE 14 -1.425 -2.899 1.455 94 H ALA 15 H ALA 15 5.685 -3.132 6.080 95 HA ALA 15 HA ALA 15 5.312 -4.227 8.676 96 HB1 ALA 15 HB1 ALA 15 7.780 -2.898 7.456 97 HB2 ALA 15 HB2 ALA 15 7.752 -3.912 8.918 98 HB3 ALA 15 HB3 ALA 15 7.350 -4.621 7.345 99 H ARG 16 H ARG 16 6.064 -0.897 7.525 100 HA ARG 16 HA ARG 16 6.239 0.270 10.134 101 HB2 ARG 16 HB2 ARG 16 5.492 1.513 7.445 102 HB3 ARG 16 HB3 ARG 16 5.815 2.433 8.883 103 HG2 ARG 16 HG2 ARG 16 7.915 0.522 7.764 104 HG3 ARG 16 HG3 ARG 16 7.662 2.120 7.069 105 HD2 ARG 16 HD2 ARG 16 9.439 2.328 8.599 106 HD3 ARG 16 HD3 ARG 16 8.037 3.049 9.392 107 HE ARG 16 HE ARG 16 9.065 0.278 9.857 108 HH11 ARG 16 HH11 ARG 16 7.646 3.254 11.241 109 HH12 ARG 16 HH12 ARG 16 7.393 2.579 12.806 110 HH21 ARG 16 HH21 ARG 16 8.758 -0.612 11.939 111 HH22 ARG 16 HH22 ARG 16 8.077 0.292 13.217 112 H LEU 17 H LEU 17 3.476 -0.293 8.000 113 HA LEU 17 HA LEU 17 1.590 1.274 9.554 114 HB2 LEU 17 HB2 LEU 17 1.083 -1.150 7.754 115 HB3 LEU 17 HB3 LEU 17 -0.171 -0.173 8.501 116 HG LEU 17 HG LEU 17 1.781 0.750 6.381 117 HD11 LEU 17 HD11 LEU 17 -1.216 0.275 6.349 118 HD12 LEU 17 HD12 LEU 17 0.031 -0.699 5.536 119 HD13 LEU 17 HD13 LEU 17 -0.259 0.975 5.035 120 HD21 LEU 17 HD21 LEU 17 0.355 2.854 6.381 121 HD22 LEU 17 HD22 LEU 17 1.424 2.670 7.766 122 HD23 LEU 17 HD23 LEU 17 -0.303 2.310 7.943 123 H GLY 18 H GLY 18 2.798 -2.078 9.752 124 HA2 GLY 18 HA2 GLY 18 2.953 -3.296 11.700 125 HA3 GLY 18 HA3 GLY 18 1.615 -2.376 12.422 126 H CYS 19 H CYS 19 1.214 -3.409 9.015 127 HA CYS 19 HA CYS 19 -0.975 -4.992 10.005 128 HB2 CYS 19 HB2 CYS 19 -1.702 -5.211 7.724 129 HB3 CYS 19 HB3 CYS 19 -1.344 -3.520 8.159 130 HG CYS 19 HG CYS 19 -0.630 -3.943 5.689 131 H SER 20 H SER 20 -1.412 -7.241 9.276 132 HA SER 20 HA SER 20 1.113 -8.841 9.179 133 HB2 SER 20 HB2 SER 20 -1.354 -9.344 10.858 134 HB3 SER 20 HB3 SER 20 0.003 -10.459 10.678 135 HG SER 20 HG SER 20 1.308 -9.095 11.750 136 H SER 21 H SER 21 -2.244 -10.166 9.083 137 HA SER 21 HA SER 21 -1.720 -11.854 6.970 138 HB2 SER 21 HB2 SER 21 -4.247 -11.834 6.614 139 HB3 SER 21 HB3 SER 21 -3.678 -12.204 8.249 140 HG SER 21 HG SER 21 -5.462 -10.553 7.949 141 H CYS 22 H CYS 22 -2.506 -8.419 6.706 142 HA CYS 22 HA CYS 22 -3.269 -8.455 3.992 143 HB2 CYS 22 HB2 CYS 22 -1.757 -6.144 5.262 144 HB3 CYS 22 HB3 CYS 22 -3.123 -6.079 4.136 145 HG CYS 22 HG CYS 22 -4.963 -6.743 5.762 146 H LEU 23 H LEU 23 -0.047 -8.231 5.572 147 HA LEU 23 HA LEU 23 1.298 -7.610 3.130 148 HB2 LEU 23 HB2 LEU 23 3.176 -7.479 4.394 149 HB3 LEU 23 HB3 LEU 23 1.976 -7.169 5.608 150 HG LEU 23 HG LEU 23 2.255 -9.834 6.054 151 HD11 LEU 23 HD11 LEU 23 3.870 -10.263 4.249 152 HD12 LEU 23 HD12 LEU 23 4.609 -10.473 5.835 153 HD13 LEU 23 HD13 LEU 23 4.923 -8.988 4.925 154 HD21 LEU 23 HD21 LEU 23 2.651 -8.067 7.696 155 HD22 LEU 23 HD22 LEU 23 4.239 -7.723 6.989 156 HD23 LEU 23 HD23 LEU 23 3.917 -9.288 7.776 157 H ASP 24 H ASP 24 0.412 -10.521 4.892 158 HA ASP 24 HA ASP 24 1.963 -12.438 3.490 159 HB2 ASP 24 HB2 ASP 24 0.708 -12.783 5.617 160 HB3 ASP 24 HB3 ASP 24 -0.793 -12.851 4.707 161 H TYR 25 H TYR 25 -1.425 -11.408 3.015 162 HA TYR 25 HA TYR 25 -1.929 -12.929 0.683 163 HB2 TYR 25 HB2 TYR 25 -3.006 -10.185 1.437 164 HB3 TYR 25 HB3 TYR 25 -3.715 -11.259 0.242 165 HD1 TYR 25 HD1 TYR 25 -4.857 -9.920 2.872 166 HD2 TYR 25 HD2 TYR 25 -3.456 -13.898 1.942 167 HE1 TYR 25 HE1 TYR 25 -6.358 -10.847 4.577 168 HE2 TYR 25 HE2 TYR 25 -4.955 -14.828 3.663 169 HH TYR 25 HH TYR 25 -7.210 -12.759 5.530 170 H PHE 26 H PHE 26 -0.683 -9.555 1.027 171 HA PHE 26 HA PHE 26 -0.485 -9.010 -1.714 172 HB2 PHE 26 HB2 PHE 26 0.572 -7.858 0.796 173 HB3 PHE 26 HB3 PHE 26 1.627 -7.598 -0.558 174 HD1 PHE 26 HD1 PHE 26 0.848 -6.392 -2.610 175 HD2 PHE 26 HD2 PHE 26 -1.709 -6.854 0.823 176 HE1 PHE 26 HE1 PHE 26 -0.650 -4.629 -3.476 177 HE2 PHE 26 HE2 PHE 26 -3.185 -5.125 -0.032 178 HZ PHE 26 HZ PHE 26 -2.634 -3.962 -2.195 179 H THR 27 H THR 27 2.139 -10.386 0.390 180 HA THR 27 HA THR 27 3.914 -10.562 -1.851 181 HB THR 27 HB THR 27 4.819 -10.441 0.334 182 HG1 THR 27 HG1 THR 27 5.858 -11.718 -1.339 183 HG21 THR 27 HG21 THR 27 3.655 -13.178 1.036 184 HG22 THR 27 HG22 THR 27 3.146 -11.645 1.742 185 HG23 THR 27 HG23 THR 27 4.760 -12.202 2.033 186 H THR 28 H THR 28 1.560 -12.936 -0.495 187 HA THR 28 HA THR 28 2.436 -15.047 -2.171 188 HB THR 28 HB THR 28 -0.406 -14.667 -1.160 189 HG1 THR 28 HG1 THR 28 0.905 -14.411 0.644 190 HG21 THR 28 HG21 THR 28 1.347 -17.151 -1.480 191 HG22 THR 28 HG22 THR 28 0.122 -16.659 -2.657 192 HG23 THR 28 HG23 THR 28 -0.360 -17.112 -1.007 193 H GLN 29 H GLN 29 0.362 -12.220 -2.850 194 HA GLN 29 HA GLN 29 -0.554 -13.276 -5.423 195 HB2 GLN 29 HB2 GLN 29 -0.689 -10.537 -4.112 196 HB3 GLN 29 HB3 GLN 29 -1.484 -10.983 -5.633 197 HG2 GLN 29 HG2 GLN 29 -2.115 -12.588 -3.150 198 HG3 GLN 29 HG3 GLN 29 -2.865 -11.024 -3.432 199 HE21 GLN 29 HE21 GLN 29 -2.988 -14.405 -4.153 200 HE22 GLN 29 HE22 GLN 29 -4.316 -14.268 -5.310 201 H GLY 30 H GLY 30 2.115 -11.313 -4.233 202 HA2 GLY 30 HA2 GLY 30 4.028 -10.559 -5.264 203 HA3 GLY 30 HA3 GLY 30 3.556 -11.462 -6.710 204 H LEU 31 H LEU 31 1.701 -8.866 -5.116 205 HA LEU 31 HA LEU 31 2.165 -7.012 -7.424 206 HB2 LEU 31 HB2 LEU 31 -0.328 -6.386 -7.066 207 HB3 LEU 31 HB3 LEU 31 0.085 -7.814 -7.975 208 HG LEU 31 HG LEU 31 -0.357 -9.237 -6.059 209 HD11 LEU 31 HD11 LEU 31 0.029 -7.829 -4.147 210 HD12 LEU 31 HD12 LEU 31 -1.662 -8.323 -4.109 211 HD13 LEU 31 HD13 LEU 31 -1.248 -6.695 -4.681 212 HD21 LEU 31 HD21 LEU 31 -2.087 -8.876 -7.669 213 HD22 LEU 31 HD22 LEU 31 -2.661 -7.433 -6.781 214 HD23 LEU 31 HD23 LEU 31 -2.776 -9.059 -6.046 215 H THR 32 H THR 32 3.387 -7.123 -4.705 216 HA THR 32 HA THR 32 2.156 -4.813 -3.338 217 HB THR 32 HB THR 32 3.103 -5.631 -1.543 218 HG1 THR 32 HG1 THR 32 5.456 -5.247 -2.925 219 HG21 THR 32 HG21 THR 32 2.683 -7.837 -2.534 220 HG22 THR 32 HG22 THR 32 3.953 -7.813 -1.300 221 HG23 THR 32 HG23 THR 32 4.379 -7.932 -3.004 222 H THR 33 H THR 33 2.595 -2.720 -4.000 223 HA THR 33 HA THR 33 5.340 -1.995 -4.511 224 HB THR 33 HB THR 33 5.194 -2.382 -6.694 225 HG1 THR 33 HG1 THR 33 4.508 -0.771 -7.922 226 HG21 THR 33 HG21 THR 33 3.138 -2.693 -8.059 227 HG22 THR 33 HG22 THR 33 2.116 -2.382 -6.645 228 HG23 THR 33 HG23 THR 33 3.192 -3.804 -6.725 229 H ILE 34 H ILE 34 5.583 0.255 -4.234 230 HA ILE 34 HA ILE 34 3.465 1.556 -2.696 231 HB ILE 34 HB ILE 34 6.050 2.876 -3.575 232 HG12 ILE 34 HG12 ILE 34 6.566 0.651 -2.370 233 HG13 ILE 34 HG13 ILE 34 7.325 2.122 -1.839 234 HG21 ILE 34 HG21 ILE 34 5.668 4.141 -1.433 235 HG22 ILE 34 HG22 ILE 34 4.367 4.360 -2.604 236 HG23 ILE 34 HG23 ILE 34 4.156 3.270 -1.209 237 HD11 ILE 34 HD11 ILE 34 5.869 2.281 0.101 238 HD12 ILE 34 HD12 ILE 34 4.882 0.934 -0.480 239 HD13 ILE 34 HD13 ILE 34 6.567 0.678 0.039 240 H TYR 35 H TYR 35 5.228 2.228 -5.678 241 HA TYR 35 HA TYR 35 4.026 4.572 -6.520 242 HB2 TYR 35 HB2 TYR 35 5.071 2.320 -8.281 243 HB3 TYR 35 HB3 TYR 35 4.983 4.030 -8.674 244 HD1 TYR 35 HD1 TYR 35 6.807 1.456 -6.739 245 HD2 TYR 35 HD2 TYR 35 6.623 5.626 -7.831 246 HE1 TYR 35 HE1 TYR 35 9.046 1.801 -5.805 247 HE2 TYR 35 HE2 TYR 35 8.939 5.949 -7.012 248 HH TYR 35 HH TYR 35 10.767 4.967 -5.947 249 H GLN 36 H GLN 36 2.912 1.277 -6.766 250 HA GLN 36 HA GLN 36 0.909 1.901 -8.828 251 HB2 GLN 36 HB2 GLN 36 1.399 -0.489 -7.044 252 HB3 GLN 36 HB3 GLN 36 -0.093 -0.306 -7.960 253 HG2 GLN 36 HG2 GLN 36 1.260 0.093 -10.055 254 HG3 GLN 36 HG3 GLN 36 2.660 -0.477 -9.151 255 HE21 GLN 36 HE21 GLN 36 1.514 -1.731 -11.536 256 HE22 GLN 36 HE22 GLN 36 0.843 -3.276 -11.044 257 H ILE 37 H ILE 37 0.682 1.344 -5.231 258 HA ILE 37 HA ILE 37 -2.114 1.901 -5.222 259 HB ILE 37 HB ILE 37 -1.887 2.084 -2.783 260 HG12 ILE 37 HG12 ILE 37 1.042 1.413 -3.278 261 HG13 ILE 37 HG13 ILE 37 0.460 3.017 -2.840 262 HG21 ILE 37 HG21 ILE 37 -0.568 -0.310 -4.160 263 HG22 ILE 37 HG22 ILE 37 -1.331 -0.332 -2.567 264 HG23 ILE 37 HG23 ILE 37 -2.302 -0.048 -4.002 265 HD11 ILE 37 HD11 ILE 37 0.227 0.495 -1.185 266 HD12 ILE 37 HD12 ILE 37 1.305 1.873 -0.908 267 HD13 ILE 37 HD13 ILE 37 -0.451 2.082 -0.734 268 H GLU 38 H GLU 38 0.528 4.090 -5.493 269 HA GLU 38 HA GLU 38 -0.846 6.402 -4.458 270 HB2 GLU 38 HB2 GLU 38 1.577 6.352 -4.703 271 HB3 GLU 38 HB3 GLU 38 1.455 5.995 -6.410 272 HG2 GLU 38 HG2 GLU 38 2.141 8.239 -6.193 273 HG3 GLU 38 HG3 GLU 38 0.520 8.262 -6.819 274 H HIS 39 H HIS 39 -1.144 4.456 -7.380 275 HA HIS 39 HA HIS 39 -2.988 6.465 -8.588 276 HB2 HIS 39 HB2 HIS 39 -0.977 5.993 -9.927 277 HB3 HIS 39 HB3 HIS 39 -1.370 4.274 -9.926 278 HD1 HIS 39 HD1 HIS 39 -3.765 7.262 -10.711 279 HD2 HIS 39 HD2 HIS 39 -1.999 3.834 -12.430 280 HE1 HIS 39 HE1 HIS 39 -4.656 7.096 -13.077 281 H TYR 40 H TYR 40 -2.731 3.107 -7.362 282 HA TYR 40 HA TYR 40 -5.301 2.321 -8.474 283 HB2 TYR 40 HB2 TYR 40 -3.340 0.989 -6.543 284 HB3 TYR 40 HB3 TYR 40 -4.957 0.380 -6.769 285 HD1 TYR 40 HD1 TYR 40 -1.978 -0.975 -7.447 286 HD2 TYR 40 HD2 TYR 40 -5.283 0.764 -9.735 287 HE1 TYR 40 HE1 TYR 40 -1.557 -2.448 -9.353 288 HE2 TYR 40 HE2 TYR 40 -4.638 -0.540 -11.652 289 HH TYR 40 HH TYR 40 -3.166 -2.102 -12.536 290 H SER 41 H SER 41 -6.744 3.827 -7.821 291 HA SER 41 HA SER 41 -6.896 4.753 -5.101 292 HB2 SER 41 HB2 SER 41 -8.911 4.934 -7.395 293 HB3 SER 41 HB3 SER 41 -8.915 5.907 -5.909 294 HG SER 41 HG SER 41 -7.929 7.044 -7.576 295 H MET 42 H MET 42 -9.202 4.635 -4.082 296 HA MET 42 HA MET 42 -9.536 2.165 -2.955 297 HB2 MET 42 HB2 MET 42 -11.485 2.973 -1.912 298 HB3 MET 42 HB3 MET 42 -10.344 4.296 -2.061 299 HG2 MET 42 HG2 MET 42 -11.631 5.128 -4.036 300 HG3 MET 42 HG3 MET 42 -12.787 3.814 -3.804 301 HE1 MET 42 HE1 MET 42 -10.951 6.521 -1.442 302 HE2 MET 42 HE2 MET 42 -11.607 7.305 -2.895 303 HE3 MET 42 HE3 MET 42 -12.308 7.658 -1.305 304 H ASP 43 H ASP 43 -10.950 3.041 -6.078 305 HA ASP 43 HA ASP 43 -12.942 0.966 -6.119 306 HB2 ASP 43 HB2 ASP 43 -11.525 2.621 -8.243 307 HB3 ASP 43 HB3 ASP 43 -12.598 1.292 -8.694 308 H ASP 44 H ASP 44 -9.597 1.127 -7.515 309 HA ASP 44 HA ASP 44 -9.701 -1.570 -8.506 310 HB2 ASP 44 HB2 ASP 44 -7.471 0.430 -8.048 311 HB3 ASP 44 HB3 ASP 44 -7.085 -1.261 -8.400 312 H LEU 45 H LEU 45 -8.525 -0.100 -5.540 313 HA LEU 45 HA LEU 45 -7.439 -2.468 -4.374 314 HB2 LEU 45 HB2 LEU 45 -8.705 -0.105 -2.952 315 HB3 LEU 45 HB3 LEU 45 -7.581 -1.276 -2.243 316 HG LEU 45 HG LEU 45 -6.835 0.527 -4.571 317 HD11 LEU 45 HD11 LEU 45 -5.719 1.943 -2.925 318 HD12 LEU 45 HD12 LEU 45 -6.497 1.058 -1.595 319 HD13 LEU 45 HD13 LEU 45 -7.452 1.969 -2.763 320 HD21 LEU 45 HD21 LEU 45 -5.092 -1.071 -2.697 321 HD22 LEU 45 HD22 LEU 45 -4.560 0.055 -3.979 322 HD23 LEU 45 HD23 LEU 45 -5.433 -1.419 -4.396 323 H ALA 46 H ALA 46 -10.786 -1.184 -4.471 324 HA ALA 46 HA ALA 46 -11.900 -3.125 -2.670 325 HB1 ALA 46 HB1 ALA 46 -14.071 -2.687 -3.791 326 HB2 ALA 46 HB2 ALA 46 -13.243 -1.180 -3.395 327 HB3 ALA 46 HB3 ALA 46 -13.257 -1.774 -5.058 328 H SER 47 H SER 47 -11.595 -3.077 -6.250 329 HA SER 47 HA SER 47 -12.635 -5.633 -6.776 330 HB2 SER 47 HB2 SER 47 -12.032 -3.631 -8.309 331 HB3 SER 47 HB3 SER 47 -10.427 -4.375 -8.410 332 HG SER 47 HG SER 47 -12.106 -4.963 -10.024 333 H LEU 48 H LEU 48 -9.474 -4.762 -5.517 334 HA LEU 48 HA LEU 48 -8.306 -7.375 -6.130 335 HB2 LEU 48 HB2 LEU 48 -7.331 -4.908 -4.679 336 HB3 LEU 48 HB3 LEU 48 -6.391 -6.395 -4.700 337 HG LEU 48 HG LEU 48 -7.372 -5.091 -7.276 338 HD11 LEU 48 HD11 LEU 48 -5.942 -3.486 -6.037 339 HD12 LEU 48 HD12 LEU 48 -5.198 -4.056 -7.535 340 HD13 LEU 48 HD13 LEU 48 -4.652 -4.719 -5.973 341 HD21 LEU 48 HD21 LEU 48 -6.674 -7.430 -7.522 342 HD22 LEU 48 HD22 LEU 48 -5.139 -7.082 -6.683 343 HD23 LEU 48 HD23 LEU 48 -5.495 -6.363 -8.277 344 H LYS 49 H LYS 49 -10.762 -7.062 -4.386 345 HA LYS 49 HA LYS 49 -11.783 -8.103 -2.708 346 HB2 LYS 49 HB2 LYS 49 -9.466 -10.046 -2.522 347 HB3 LYS 49 HB3 LYS 49 -11.096 -10.251 -1.940 348 HG2 LYS 49 HG2 LYS 49 -10.895 -11.603 -3.827 349 HG3 LYS 49 HG3 LYS 49 -11.913 -10.257 -4.324 350 HD2 LYS 49 HD2 LYS 49 -10.383 -9.481 -5.825 351 HD3 LYS 49 HD3 LYS 49 -8.984 -9.914 -4.849 352 HE2 LYS 49 HE2 LYS 49 -10.608 -11.913 -6.426 353 HE3 LYS 49 HE3 LYS 49 -9.180 -11.074 -7.042 354 HZ1 LYS 49 HZ1 LYS 49 -8.540 -13.176 -6.168 355 HZ2 LYS 49 HZ2 LYS 49 -9.239 -12.885 -4.717 356 HZ3 LYS 49 HZ3 LYS 49 -7.918 -11.985 -5.212 357 H ILE 50 H ILE 50 -9.878 -5.879 -2.102 358 HA ILE 50 HA ILE 50 -8.876 -6.444 0.609 359 HB ILE 50 HB ILE 50 -9.001 -3.794 -0.838 360 HG12 ILE 50 HG12 ILE 50 -7.838 -5.399 -2.355 361 HG13 ILE 50 HG13 ILE 50 -6.800 -4.168 -1.732 362 HG21 ILE 50 HG21 ILE 50 -7.162 -3.216 0.620 363 HG22 ILE 50 HG22 ILE 50 -8.484 -3.867 1.611 364 HG23 ILE 50 HG23 ILE 50 -7.090 -4.876 1.245 365 HD11 ILE 50 HD11 ILE 50 -5.779 -6.453 -1.826 366 HD12 ILE 50 HD12 ILE 50 -5.766 -5.812 -0.182 367 HD13 ILE 50 HD13 ILE 50 -6.982 -7.021 -0.661 368 HA PRO 51 HA PRO 51 -13.092 -5.262 1.910 369 HB2 PRO 51 HB2 PRO 51 -12.874 -5.674 4.603 370 HB3 PRO 51 HB3 PRO 51 -12.997 -7.024 3.433 371 HG2 PRO 51 HG2 PRO 51 -10.483 -5.877 4.688 372 HG3 PRO 51 HG3 PRO 51 -10.966 -7.598 4.557 373 HD2 PRO 51 HD2 PRO 51 -9.265 -6.447 2.768 374 HD3 PRO 51 HD3 PRO 51 -10.481 -7.661 2.259 375 H GLU 52 H GLU 52 -13.940 -3.299 2.808 376 HA GLU 52 HA GLU 52 -12.276 -1.070 2.833 377 HB2 GLU 52 HB2 GLU 52 -14.110 0.172 3.731 378 HB3 GLU 52 HB3 GLU 52 -14.609 -0.869 2.404 379 HG2 GLU 52 HG2 GLU 52 -15.901 -2.235 3.748 380 HG3 GLU 52 HG3 GLU 52 -14.922 -1.990 5.194 381 H GLN 53 H GLN 53 -13.102 -3.151 5.471 382 HA GLN 53 HA GLN 53 -12.452 -1.729 7.757 383 HB2 GLN 53 HB2 GLN 53 -11.974 -4.687 7.205 384 HB3 GLN 53 HB3 GLN 53 -12.159 -3.947 8.797 385 HG2 GLN 53 HG2 GLN 53 -14.484 -3.302 8.252 386 HG3 GLN 53 HG3 GLN 53 -14.313 -4.003 6.646 387 HE21 GLN 53 HE21 GLN 53 -16.330 -4.795 8.534 388 HE22 GLN 53 HE22 GLN 53 -16.036 -6.443 9.002 389 H PHE 54 H PHE 54 -10.310 -2.848 5.314 390 HA PHE 54 HA PHE 54 -7.925 -2.070 6.920 391 HB2 PHE 54 HB2 PHE 54 -7.654 -4.399 6.804 392 HB3 PHE 54 HB3 PHE 54 -8.346 -4.505 5.187 393 HD1 PHE 54 HD1 PHE 54 -7.048 -4.355 3.281 394 HD2 PHE 54 HD2 PHE 54 -5.352 -3.167 7.047 395 HE1 PHE 54 HE1 PHE 54 -4.808 -4.040 2.175 396 HE2 PHE 54 HE2 PHE 54 -3.144 -2.833 5.964 397 HZ PHE 54 HZ PHE 54 -2.871 -3.277 3.533 398 H ARG 55 H ARG 55 -9.354 -2.437 3.596 399 HA ARG 55 HA ARG 55 -7.536 -1.115 2.068 400 HB2 ARG 55 HB2 ARG 55 -9.731 -2.159 1.379 401 HB3 ARG 55 HB3 ARG 55 -10.523 -0.683 1.929 402 HG2 ARG 55 HG2 ARG 55 -8.869 0.521 0.241 403 HG3 ARG 55 HG3 ARG 55 -8.706 -1.103 -0.414 404 HD2 ARG 55 HD2 ARG 55 -10.393 0.132 -1.653 405 HD3 ARG 55 HD3 ARG 55 -11.159 -1.204 -0.788 406 HE ARG 55 HE ARG 55 -11.229 1.260 0.735 407 HH11 ARG 55 HH11 ARG 55 -12.422 0.408 -2.469 408 HH12 ARG 55 HH12 ARG 55 -14.050 0.928 -2.127 409 HH21 ARG 55 HH21 ARG 55 -13.587 2.009 1.129 410 HH22 ARG 55 HH22 ARG 55 -14.626 1.832 -0.255 411 H HIS 56 H HIS 56 -10.167 0.616 3.921 412 HA HIS 56 HA HIS 56 -9.314 3.196 3.016 413 HB2 HIS 56 HB2 HIS 56 -11.544 2.695 4.028 414 HB3 HIS 56 HB3 HIS 56 -10.769 2.430 5.585 415 HD1 HIS 56 HD1 HIS 56 -9.141 5.443 4.225 416 HD2 HIS 56 HD2 HIS 56 -12.893 4.501 5.895 417 HE1 HIS 56 HE1 HIS 56 -10.141 7.635 5.026 418 H ALA 57 H ALA 57 -8.111 1.089 5.693 419 HA ALA 57 HA ALA 57 -6.712 3.137 7.035 420 HB1 ALA 57 HB1 ALA 57 -6.027 0.168 6.980 421 HB2 ALA 57 HB2 ALA 57 -5.644 1.340 8.231 422 HB3 ALA 57 HB3 ALA 57 -7.338 0.860 7.974 423 H ILE 58 H ILE 58 -5.602 0.659 4.648 424 HA ILE 58 HA ILE 58 -2.910 1.606 4.623 425 HB ILE 58 HB ILE 58 -3.195 -0.544 3.915 426 HG12 ILE 58 HG12 ILE 58 -2.420 -0.795 1.700 427 HG13 ILE 58 HG13 ILE 58 -3.230 0.660 1.131 428 HG21 ILE 58 HG21 ILE 58 -5.519 -0.768 3.438 429 HG22 ILE 58 HG22 ILE 58 -5.353 0.233 1.962 430 HG23 ILE 58 HG23 ILE 58 -4.621 -1.370 2.074 431 HD11 ILE 58 HD11 ILE 58 -1.516 2.071 1.879 432 HD12 ILE 58 HD12 ILE 58 -0.866 0.804 2.960 433 HD13 ILE 58 HD13 ILE 58 -0.724 0.695 1.187 434 H TRP 59 H TRP 59 -5.674 2.154 2.347 435 HA TRP 59 HA TRP 59 -4.185 3.947 0.776 436 HB2 TRP 59 HB2 TRP 59 -6.555 2.916 0.378 437 HB3 TRP 59 HB3 TRP 59 -7.127 4.434 1.071 438 HD1 TRP 59 HD1 TRP 59 -4.499 3.347 -1.572 439 HE1 TRP 59 HE1 TRP 59 -4.599 4.891 -3.609 440 HE3 TRP 59 HE3 TRP 59 -7.924 6.623 0.150 441 HZ2 TRP 59 HZ2 TRP 59 -6.277 7.090 -4.523 442 HZ3 TRP 59 HZ3 TRP 59 -8.885 8.397 -1.355 443 HH2 TRP 59 HH2 TRP 59 -8.047 8.609 -3.705 444 H LYS 60 H LYS 60 -6.173 4.697 3.699 445 HA LYS 60 HA LYS 60 -5.692 7.520 3.694 446 HB2 LYS 60 HB2 LYS 60 -7.342 6.499 5.162 447 HB3 LYS 60 HB3 LYS 60 -6.120 5.524 5.974 448 HG2 LYS 60 HG2 LYS 60 -6.111 8.543 6.110 449 HG3 LYS 60 HG3 LYS 60 -7.128 7.564 7.146 450 HD2 LYS 60 HD2 LYS 60 -4.891 6.300 7.758 451 HD3 LYS 60 HD3 LYS 60 -4.118 7.790 7.184 452 HE2 LYS 60 HE2 LYS 60 -5.545 9.095 8.745 453 HE3 LYS 60 HE3 LYS 60 -6.271 7.598 9.341 454 HZ1 LYS 60 HZ1 LYS 60 -3.375 8.199 9.517 455 HZ2 LYS 60 HZ2 LYS 60 -4.160 6.960 10.251 456 HZ3 LYS 60 HZ3 LYS 60 -4.468 8.522 10.695 457 H GLY 61 H GLY 61 -3.717 4.763 4.919 458 HA2 GLY 61 HA2 GLY 61 -1.817 6.232 6.285 459 HA3 GLY 61 HA3 GLY 61 -1.549 4.632 5.519 460 H ILE 62 H ILE 62 -1.740 5.135 2.847 461 HA ILE 62 HA ILE 62 0.807 6.461 2.464 462 HB ILE 62 HB ILE 62 0.223 4.515 1.324 463 HG12 ILE 62 HG12 ILE 62 0.770 6.940 -0.477 464 HG13 ILE 62 HG13 ILE 62 1.959 6.117 0.531 465 HG21 ILE 62 HG21 ILE 62 -1.701 6.031 -0.460 466 HG22 ILE 62 HG22 ILE 62 -1.222 4.343 -0.638 467 HG23 ILE 62 HG23 ILE 62 -2.151 4.831 0.775 468 HD11 ILE 62 HD11 ILE 62 0.603 5.032 -1.953 469 HD12 ILE 62 HD12 ILE 62 2.288 5.529 -1.774 470 HD13 ILE 62 HD13 ILE 62 1.715 4.098 -0.901 471 H LEU 63 H LEU 63 -2.597 7.220 1.623 472 HA LEU 63 HA LEU 63 -1.987 9.626 0.239 473 HB2 LEU 63 HB2 LEU 63 -4.405 8.611 1.723 474 HB3 LEU 63 HB3 LEU 63 -4.340 10.298 1.339 475 HG LEU 63 HG LEU 63 -5.553 8.890 -0.340 476 HD11 LEU 63 HD11 LEU 63 -4.695 11.162 -0.851 477 HD12 LEU 63 HD12 LEU 63 -4.702 10.083 -2.264 478 HD13 LEU 63 HD13 LEU 63 -3.179 10.427 -1.446 479 HD21 LEU 63 HD21 LEU 63 -4.044 6.937 -0.539 480 HD22 LEU 63 HD22 LEU 63 -2.764 7.982 -1.210 481 HD23 LEU 63 HD23 LEU 63 -4.259 7.741 -2.095 482 H ASP 64 H ASP 64 -2.032 8.860 3.595 483 HA ASP 64 HA ASP 64 -1.878 11.617 4.641 484 HB2 ASP 64 HB2 ASP 64 -2.797 9.870 6.064 485 HB3 ASP 64 HB3 ASP 64 -1.305 8.938 5.971 486 H HIS 65 H HIS 65 0.390 9.051 3.834 487 HA HIS 65 HA HIS 65 2.731 10.331 4.938 488 HB2 HIS 65 HB2 HIS 65 2.759 7.914 4.558 489 HB3 HIS 65 HB3 HIS 65 2.414 8.141 2.849 490 HD1 HIS 65 HD1 HIS 65 5.263 9.573 5.151 491 HD2 HIS 65 HD2 HIS 65 4.409 8.147 1.270 492 HE1 HIS 65 HE1 HIS 65 7.367 9.914 3.780 493 H ARG 66 H ARG 66 1.553 9.901 1.555 494 HA ARG 66 HA ARG 66 3.459 11.719 0.466 495 HB2 ARG 66 HB2 ARG 66 2.170 11.613 -1.583 496 HB3 ARG 66 HB3 ARG 66 2.361 10.013 -0.873 497 HG2 ARG 66 HG2 ARG 66 0.136 9.792 -1.253 498 HG3 ARG 66 HG3 ARG 66 -0.027 10.723 0.229 499 HD2 ARG 66 HD2 ARG 66 -1.433 11.860 -1.157 500 HD3 ARG 66 HD3 ARG 66 0.045 12.827 -1.301 501 HE ARG 66 HE ARG 66 0.259 10.907 -3.318 502 HH11 ARG 66 HH11 ARG 66 -2.257 13.328 -2.589 503 HH12 ARG 66 HH12 ARG 66 -2.952 13.147 -4.182 504 HH21 ARG 66 HH21 ARG 66 -0.330 11.114 -5.368 505 HH22 ARG 66 HH22 ARG 66 -1.767 11.985 -5.865 506 H GLN 67 H GLN 67 0.228 12.306 1.963 507 HA GLN 67 HA GLN 67 0.135 15.034 0.999 508 HB2 GLN 67 HB2 GLN 67 -1.900 14.032 1.685 509 HB3 GLN 67 HB3 GLN 67 -1.249 13.561 3.271 510 HG2 GLN 67 HG2 GLN 67 -1.366 15.681 4.137 511 HG3 GLN 67 HG3 GLN 67 -1.399 16.475 2.550 512 HE21 GLN 67 HE21 GLN 67 -3.304 16.790 1.492 513 HE22 GLN 67 HE22 GLN 67 -4.869 16.162 1.981 514 H LEU 68 H LEU 68 1.641 13.453 3.822 515 HA LEU 68 HA LEU 68 2.390 16.071 4.941 516 HB2 LEU 68 HB2 LEU 68 2.646 13.246 5.941 517 HB3 LEU 68 HB3 LEU 68 3.308 14.636 6.797 518 HG LEU 68 HG LEU 68 0.338 14.315 6.167 519 HD11 LEU 68 HD11 LEU 68 0.887 12.582 7.668 520 HD12 LEU 68 HD12 LEU 68 0.291 13.878 8.697 521 HD13 LEU 68 HD13 LEU 68 2.037 13.577 8.576 522 HD21 LEU 68 HD21 LEU 68 0.949 16.662 6.517 523 HD22 LEU 68 HD22 LEU 68 1.798 16.254 8.014 524 HD23 LEU 68 HD23 LEU 68 0.039 16.059 7.889 525 H HIS 69 H HIS 69 3.715 14.009 2.629 526 HA HIS 69 HA HIS 69 6.381 15.200 3.038 527 HB2 HIS 69 HB2 HIS 69 6.304 12.808 3.946 528 HB3 HIS 69 HB3 HIS 69 6.065 12.270 2.289 529 HD1 HIS 69 HD1 HIS 69 8.357 12.399 0.694 530 HD2 HIS 69 HD2 HIS 69 8.635 14.095 4.562 531 HE1 HIS 69 HE1 HIS 69 10.775 12.964 1.051 532 H ASP 70 H ASP 70 6.852 13.191 0.607 533 HA ASP 70 HA ASP 70 5.475 14.303 -1.624 534 HB2 ASP 70 HB2 ASP 70 6.969 15.811 -2.326 535 HB3 ASP 70 HB3 ASP 70 7.682 15.809 -0.738 Start of MODEL 14 1 H1 GLY 1 H GLY 1 17.705 -22.327 1.325 2 HA2 GLY 1 HA2 GLY 1 15.211 -22.836 2.841 3 HA3 GLY 1 HA3 GLY 1 16.448 -21.666 3.357 4 HA PRO 2 HA PRO 2 13.999 -20.101 -0.556 5 HB2 PRO 2 HB2 PRO 2 11.320 -19.840 0.083 6 HB3 PRO 2 HB3 PRO 2 12.018 -21.236 -0.784 7 HG2 PRO 2 HG2 PRO 2 11.372 -20.973 2.153 8 HG3 PRO 2 HG3 PRO 2 11.052 -22.364 1.071 9 HD2 PRO 2 HD2 PRO 2 13.184 -22.292 2.778 10 HD3 PRO 2 HD3 PRO 2 13.304 -23.068 1.173 11 H LEU 3 H LEU 3 14.487 -17.992 -0.503 12 HA LEU 3 HA LEU 3 13.300 -16.069 1.234 13 HB2 LEU 3 HB2 LEU 3 15.272 -15.221 2.305 14 HB3 LEU 3 HB3 LEU 3 14.894 -16.831 2.853 15 HG LEU 3 HG LEU 3 16.729 -17.506 0.980 16 HD11 LEU 3 HD11 LEU 3 18.587 -15.878 1.007 17 HD12 LEU 3 HD12 LEU 3 17.598 -14.733 1.926 18 HD13 LEU 3 HD13 LEU 3 17.176 -15.143 0.262 19 HD21 LEU 3 HD21 LEU 3 18.400 -17.578 2.774 20 HD22 LEU 3 HD22 LEU 3 16.825 -18.113 3.355 21 HD23 LEU 3 HD23 LEU 3 17.422 -16.491 3.773 22 H GLY 4 H GLY 4 13.811 -13.910 0.459 23 HA2 GLY 4 HA2 GLY 4 15.667 -13.429 -1.655 24 HA3 GLY 4 HA3 GLY 4 13.978 -13.521 -2.218 25 H SER 5 H SER 5 15.027 -11.083 -2.521 26 HA SER 5 HA SER 5 13.703 -9.452 -0.459 27 HB2 SER 5 HB2 SER 5 16.144 -9.758 0.073 28 HB3 SER 5 HB3 SER 5 16.539 -8.969 -1.466 29 HG SER 5 HG SER 5 16.501 -7.533 0.362 30 H THR 6 H THR 6 14.112 -7.043 -1.366 31 HA THR 6 HA THR 6 14.040 -6.652 -4.183 32 HB THR 6 HB THR 6 11.799 -7.630 -3.807 33 HG1 THR 6 HG1 THR 6 10.909 -6.359 -5.123 34 HG21 THR 6 HG21 THR 6 11.189 -5.130 -2.167 35 HG22 THR 6 HG22 THR 6 11.242 -6.805 -1.556 36 HG23 THR 6 HG23 THR 6 10.017 -6.331 -2.737 37 H ASP 7 H ASP 7 14.038 -4.372 -4.606 38 HA ASP 7 HA ASP 7 15.456 -2.778 -2.741 39 HB2 ASP 7 HB2 ASP 7 13.855 -1.950 -5.215 40 HB3 ASP 7 HB3 ASP 7 14.952 -0.901 -4.320 41 H CYS 8 H CYS 8 12.151 -2.455 -4.047 42 HA CYS 8 HA CYS 8 11.130 -1.305 -1.524 43 HB2 CYS 8 HB2 CYS 8 11.874 0.423 -3.268 44 HB3 CYS 8 HB3 CYS 8 10.612 -0.243 -4.323 45 HG CYS 8 HG CYS 8 10.480 1.313 -1.397 46 H SER 9 H SER 9 8.845 -1.614 -1.252 47 HA SER 9 HA SER 9 6.977 -2.712 -2.977 48 HB2 SER 9 HB2 SER 9 8.234 -4.734 -3.119 49 HB3 SER 9 HB3 SER 9 8.636 -4.711 -1.404 50 HG SER 9 HG SER 9 7.090 -6.263 -2.023 51 H ILE 10 H ILE 10 4.989 -3.184 -1.612 52 HA ILE 10 HA ILE 10 4.621 -1.273 0.439 53 HB ILE 10 HB ILE 10 2.916 -3.700 -0.284 54 HG12 ILE 10 HG12 ILE 10 2.489 -0.841 -1.153 55 HG13 ILE 10 HG13 ILE 10 3.274 -2.102 -2.092 56 HG21 ILE 10 HG21 ILE 10 1.036 -2.503 0.806 57 HG22 ILE 10 HG22 ILE 10 2.278 -2.975 1.920 58 HG23 ILE 10 HG23 ILE 10 2.192 -1.277 1.382 59 HD11 ILE 10 HD11 ILE 10 1.031 -2.156 -2.839 60 HD12 ILE 10 HD12 ILE 10 1.184 -3.535 -1.756 61 HD13 ILE 10 HD13 ILE 10 0.379 -2.055 -1.205 62 H VAL 11 H VAL 11 5.885 -4.507 0.515 63 HA VAL 11 HA VAL 11 5.178 -5.352 3.099 64 HB VAL 11 HB VAL 11 7.330 -6.506 3.207 65 HG11 VAL 11 HG11 VAL 11 6.816 -8.082 1.383 66 HG12 VAL 11 HG12 VAL 11 5.311 -7.462 2.070 67 HG13 VAL 11 HG13 VAL 11 5.894 -6.824 0.521 68 HG21 VAL 11 HG21 VAL 11 7.976 -5.197 0.564 69 HG22 VAL 11 HG22 VAL 11 8.927 -5.160 2.052 70 HG23 VAL 11 HG23 VAL 11 8.778 -6.667 1.164 71 H SER 12 H SER 12 7.935 -3.208 2.297 72 HA SER 12 HA SER 12 8.716 -2.875 5.037 73 HB2 SER 12 HB2 SER 12 10.062 -2.412 2.913 74 HB3 SER 12 HB3 SER 12 9.147 -0.901 2.777 75 HG SER 12 HG SER 12 10.951 -0.398 3.892 76 H PHE 13 H PHE 13 6.417 -1.082 2.904 77 HA PHE 13 HA PHE 13 6.003 1.067 4.763 78 HB2 PHE 13 HB2 PHE 13 5.281 1.134 2.412 79 HB3 PHE 13 HB3 PHE 13 4.088 -0.122 2.714 80 HD1 PHE 13 HD1 PHE 13 1.952 0.829 2.470 81 HD2 PHE 13 HD2 PHE 13 4.985 3.042 4.611 82 HE1 PHE 13 HE1 PHE 13 0.329 2.685 2.880 83 HE2 PHE 13 HE2 PHE 13 3.389 4.868 4.968 84 HZ PHE 13 HZ PHE 13 1.083 4.709 4.134 85 H PHE 14 H PHE 14 4.409 -2.075 4.312 86 HA PHE 14 HA PHE 14 2.468 -1.777 6.382 87 HB2 PHE 14 HB2 PHE 14 3.602 -4.059 4.776 88 HB3 PHE 14 HB3 PHE 14 2.641 -4.418 6.187 89 HD1 PHE 14 HD1 PHE 14 1.124 -5.557 4.520 90 HD2 PHE 14 HD2 PHE 14 1.707 -1.276 4.414 91 HE1 PHE 14 HE1 PHE 14 -0.884 -5.294 3.091 92 HE2 PHE 14 HE2 PHE 14 -0.280 -1.020 3.035 93 HZ PHE 14 HZ PHE 14 -1.610 -3.039 2.381 94 H ALA 15 H ALA 15 5.827 -2.906 6.432 95 HA ALA 15 HA ALA 15 5.776 -3.822 9.131 96 HB1 ALA 15 HB1 ALA 15 7.649 -4.294 7.552 97 HB2 ALA 15 HB2 ALA 15 8.144 -2.583 7.656 98 HB3 ALA 15 HB3 ALA 15 8.202 -3.616 9.092 99 H ARG 16 H ARG 16 6.223 -0.570 7.708 100 HA ARG 16 HA ARG 16 6.697 0.704 10.310 101 HB2 ARG 16 HB2 ARG 16 5.943 1.885 7.580 102 HB3 ARG 16 HB3 ARG 16 6.260 2.818 9.040 103 HG2 ARG 16 HG2 ARG 16 8.519 1.532 9.144 104 HG3 ARG 16 HG3 ARG 16 8.195 1.065 7.483 105 HD2 ARG 16 HD2 ARG 16 9.650 3.018 7.555 106 HD3 ARG 16 HD3 ARG 16 8.094 3.427 6.797 107 HE ARG 16 HE ARG 16 8.035 3.975 9.601 108 HH11 ARG 16 HH11 ARG 16 9.639 5.280 6.714 109 HH12 ARG 16 HH12 ARG 16 9.485 6.944 7.197 110 HH21 ARG 16 HH21 ARG 16 7.806 6.170 10.246 111 HH22 ARG 16 HH22 ARG 16 8.449 7.451 9.281 112 H LEU 17 H LEU 17 3.872 0.112 8.311 113 HA LEU 17 HA LEU 17 2.065 1.814 9.868 114 HB2 LEU 17 HB2 LEU 17 1.462 -0.541 8.018 115 HB3 LEU 17 HB3 LEU 17 0.234 0.424 8.816 116 HG LEU 17 HG LEU 17 2.123 1.361 6.642 117 HD11 LEU 17 HD11 LEU 17 0.007 1.698 5.410 118 HD12 LEU 17 HD12 LEU 17 -0.910 1.084 6.801 119 HD13 LEU 17 HD13 LEU 17 0.194 0.012 5.913 120 HD21 LEU 17 HD21 LEU 17 0.142 2.944 8.320 121 HD22 LEU 17 HD22 LEU 17 0.821 3.514 6.763 122 HD23 LEU 17 HD23 LEU 17 1.888 3.239 8.140 123 H GLY 18 H GLY 18 2.885 -1.672 9.940 124 HA2 GLY 18 HA2 GLY 18 2.965 -2.781 12.044 125 HA3 GLY 18 HA3 GLY 18 1.476 -1.964 12.533 126 H CYS 19 H CYS 19 1.339 -2.800 9.205 127 HA CYS 19 HA CYS 19 -0.781 -4.700 9.686 128 HB2 CYS 19 HB2 CYS 19 0.788 -4.317 7.121 129 HB3 CYS 19 HB3 CYS 19 -0.838 -4.981 7.265 130 HG CYS 19 HG CYS 19 -0.680 -2.553 6.108 131 H SER 20 H SER 20 -0.693 -6.962 9.652 132 HA SER 20 HA SER 20 2.020 -8.192 9.379 133 HB2 SER 20 HB2 SER 20 1.239 -9.795 11.096 134 HB3 SER 20 HB3 SER 20 1.407 -8.115 11.624 135 HG SER 20 HG SER 20 -0.975 -7.978 11.255 136 H SER 21 H SER 21 -1.137 -9.834 9.640 137 HA SER 21 HA SER 21 -0.606 -11.753 7.732 138 HB2 SER 21 HB2 SER 21 -3.448 -10.875 8.063 139 HB3 SER 21 HB3 SER 21 -2.734 -12.490 8.185 140 HG SER 21 HG SER 21 -1.786 -11.748 10.208 141 H CYS 22 H CYS 22 -1.799 -8.469 7.172 142 HA CYS 22 HA CYS 22 -2.825 -9.033 4.551 143 HB2 CYS 22 HB2 CYS 22 -1.937 -6.329 5.635 144 HB3 CYS 22 HB3 CYS 22 -3.030 -6.662 4.277 145 HG CYS 22 HG CYS 22 -4.533 -5.828 6.167 146 H LEU 23 H LEU 23 0.482 -8.353 5.705 147 HA LEU 23 HA LEU 23 1.381 -7.522 3.086 148 HB2 LEU 23 HB2 LEU 23 3.447 -7.254 3.973 149 HB3 LEU 23 HB3 LEU 23 2.469 -7.068 5.408 150 HG LEU 23 HG LEU 23 3.009 -9.658 5.750 151 HD11 LEU 23 HD11 LEU 23 4.258 -9.920 3.569 152 HD12 LEU 23 HD12 LEU 23 5.250 -10.257 4.984 153 HD13 LEU 23 HD13 LEU 23 5.427 -8.710 4.140 154 HD21 LEU 23 HD21 LEU 23 4.964 -8.981 7.092 155 HD22 LEU 23 HD22 LEU 23 3.629 -7.845 7.289 156 HD23 LEU 23 HD23 LEU 23 5.009 -7.415 6.255 157 H ASP 24 H ASP 24 1.187 -10.534 4.940 158 HA ASP 24 HA ASP 24 2.420 -12.329 3.166 159 HB2 ASP 24 HB2 ASP 24 1.825 -12.681 5.539 160 HB3 ASP 24 HB3 ASP 24 0.127 -12.713 5.115 161 H TYR 25 H TYR 25 -0.999 -11.255 3.398 162 HA TYR 25 HA TYR 25 -2.006 -12.848 1.274 163 HB2 TYR 25 HB2 TYR 25 -2.902 -10.039 2.036 164 HB3 TYR 25 HB3 TYR 25 -3.815 -11.191 1.085 165 HD1 TYR 25 HD1 TYR 25 -4.870 -9.723 3.431 166 HD2 TYR 25 HD2 TYR 25 -2.946 -13.589 3.211 167 HE1 TYR 25 HE1 TYR 25 -6.045 -10.427 5.489 168 HE2 TYR 25 HE2 TYR 25 -4.147 -14.299 5.240 169 HH TYR 25 HH TYR 25 -5.537 -13.616 7.039 170 H PHE 26 H PHE 26 -0.714 -9.458 1.201 171 HA PHE 26 HA PHE 26 -0.903 -9.023 -1.574 172 HB2 PHE 26 HB2 PHE 26 0.444 -7.833 0.792 173 HB3 PHE 26 HB3 PHE 26 1.305 -7.599 -0.686 174 HD1 PHE 26 HD1 PHE 26 0.333 -6.244 -2.554 175 HD2 PHE 26 HD2 PHE 26 -1.784 -6.817 1.156 176 HE1 PHE 26 HE1 PHE 26 -1.028 -4.281 -3.069 177 HE2 PHE 26 HE2 PHE 26 -3.227 -4.926 0.616 178 HZ PHE 26 HZ PHE 26 -2.858 -3.602 -1.485 179 H THR 27 H THR 27 1.974 -10.292 0.296 180 HA THR 27 HA THR 27 3.669 -10.409 -1.983 181 HB THR 27 HB THR 27 5.030 -11.943 -0.568 182 HG1 THR 27 HG1 THR 27 4.327 -12.676 1.282 183 HG21 THR 27 HG21 THR 27 4.026 -9.454 0.910 184 HG22 THR 27 HG22 THR 27 5.342 -9.523 -0.282 185 HG23 THR 27 HG23 THR 27 5.491 -10.351 1.278 186 H THR 28 H THR 28 1.377 -12.759 -0.566 187 HA THR 28 HA THR 28 2.078 -14.917 -2.301 188 HB THR 28 HB THR 28 -0.612 -14.397 -0.979 189 HG1 THR 28 HG1 THR 28 1.006 -14.328 0.591 190 HG21 THR 28 HG21 THR 28 -0.691 -16.879 -0.904 191 HG22 THR 28 HG22 THR 28 0.839 -16.957 -1.788 192 HG23 THR 28 HG23 THR 28 -0.602 -16.301 -2.583 193 H GLN 29 H GLN 29 -0.219 -12.152 -2.704 194 HA GLN 29 HA GLN 29 -1.303 -13.209 -5.184 195 HB2 GLN 29 HB2 GLN 29 -1.379 -10.459 -3.895 196 HB3 GLN 29 HB3 GLN 29 -2.254 -10.896 -5.377 197 HG2 GLN 29 HG2 GLN 29 -2.656 -12.384 -2.786 198 HG3 GLN 29 HG3 GLN 29 -3.617 -10.975 -3.253 199 HE21 GLN 29 HE21 GLN 29 -3.266 -14.447 -3.616 200 HE22 GLN 29 HE22 GLN 29 -4.406 -14.591 -4.946 201 H GLY 30 H GLY 30 1.596 -11.482 -4.443 202 HA2 GLY 30 HA2 GLY 30 3.346 -10.821 -5.794 203 HA3 GLY 30 HA3 GLY 30 2.563 -11.644 -7.152 204 H LEU 31 H LEU 31 1.233 -9.000 -5.189 205 HA LEU 31 HA LEU 31 1.574 -7.087 -7.450 206 HB2 LEU 31 HB2 LEU 31 -0.860 -6.419 -6.985 207 HB3 LEU 31 HB3 LEU 31 -0.544 -7.910 -7.854 208 HG LEU 31 HG LEU 31 -0.962 -9.222 -5.850 209 HD11 LEU 31 HD11 LEU 31 -2.111 -8.088 -3.874 210 HD12 LEU 31 HD12 LEU 31 -1.442 -6.563 -4.496 211 HD13 LEU 31 HD13 LEU 31 -0.362 -7.882 -4.002 212 HD21 LEU 31 HD21 LEU 31 -3.364 -8.848 -5.716 213 HD22 LEU 31 HD22 LEU 31 -2.714 -8.833 -7.372 214 HD23 LEU 31 HD23 LEU 31 -3.143 -7.297 -6.587 215 H THR 32 H THR 32 2.866 -7.325 -4.671 216 HA THR 32 HA THR 32 1.788 -4.861 -3.404 217 HB THR 32 HB THR 32 2.310 -6.168 -1.686 218 HG1 THR 32 HG1 THR 32 4.983 -5.413 -1.978 219 HG21 THR 32 HG21 THR 32 3.119 -8.190 -2.846 220 HG22 THR 32 HG22 THR 32 4.089 -7.815 -1.421 221 HG23 THR 32 HG23 THR 32 4.711 -7.419 -3.035 222 H THR 33 H THR 33 2.416 -2.832 -4.072 223 HA THR 33 HA THR 33 5.217 -2.404 -4.519 224 HB THR 33 HB THR 33 4.954 -2.940 -6.671 225 HG1 THR 33 HG1 THR 33 4.534 -1.331 -8.006 226 HG21 THR 33 HG21 THR 33 1.895 -2.458 -6.524 227 HG22 THR 33 HG22 THR 33 2.755 -4.003 -6.684 228 HG23 THR 33 HG23 THR 33 2.781 -2.877 -8.005 229 H ILE 34 H ILE 34 5.650 -0.264 -4.303 230 HA ILE 34 HA ILE 34 3.650 1.239 -2.753 231 HB ILE 34 HB ILE 34 6.442 2.195 -3.468 232 HG12 ILE 34 HG12 ILE 34 5.441 0.183 -1.475 233 HG13 ILE 34 HG13 ILE 34 6.956 0.261 -2.369 234 HG21 ILE 34 HG21 ILE 34 4.852 3.961 -2.669 235 HG22 ILE 34 HG22 ILE 34 4.565 2.999 -1.205 236 HG23 ILE 34 HG23 ILE 34 6.161 3.673 -1.531 237 HD11 ILE 34 HD11 ILE 34 7.423 0.534 -0.021 238 HD12 ILE 34 HD12 ILE 34 7.678 2.112 -0.778 239 HD13 ILE 34 HD13 ILE 34 6.197 1.788 0.152 240 H TYR 35 H TYR 35 5.500 1.910 -5.613 241 HA TYR 35 HA TYR 35 4.428 4.355 -6.387 242 HB2 TYR 35 HB2 TYR 35 5.683 2.195 -8.116 243 HB3 TYR 35 HB3 TYR 35 5.705 3.943 -8.363 244 HD1 TYR 35 HD1 TYR 35 7.439 1.154 -6.808 245 HD2 TYR 35 HD2 TYR 35 6.694 5.385 -6.372 246 HE1 TYR 35 HE1 TYR 35 9.389 1.348 -5.327 247 HE2 TYR 35 HE2 TYR 35 8.732 5.595 -4.977 248 HH TYR 35 HH TYR 35 10.594 2.854 -3.795 249 H GLN 36 H GLN 36 3.026 1.313 -6.593 250 HA GLN 36 HA GLN 36 1.147 2.041 -8.788 251 HB2 GLN 36 HB2 GLN 36 1.644 -0.510 -7.208 252 HB3 GLN 36 HB3 GLN 36 0.211 -0.280 -8.202 253 HG2 GLN 36 HG2 GLN 36 1.893 0.512 -10.080 254 HG3 GLN 36 HG3 GLN 36 3.068 -0.357 -9.105 255 HE21 GLN 36 HE21 GLN 36 2.145 -0.985 -11.953 256 HE22 GLN 36 HE22 GLN 36 1.500 -2.595 -11.821 257 H ILE 37 H ILE 37 0.963 1.145 -5.247 258 HA ILE 37 HA ILE 37 -1.809 1.701 -5.064 259 HB ILE 37 HB ILE 37 -1.467 1.945 -2.673 260 HG12 ILE 37 HG12 ILE 37 1.465 1.383 -3.025 261 HG13 ILE 37 HG13 ILE 37 0.812 3.003 -2.748 262 HG21 ILE 37 HG21 ILE 37 -0.042 -0.451 -3.881 263 HG22 ILE 37 HG22 ILE 37 -0.779 -0.394 -2.274 264 HG23 ILE 37 HG23 ILE 37 -1.795 -0.276 -3.716 265 HD11 ILE 37 HD11 ILE 37 1.489 2.238 -0.661 266 HD12 ILE 37 HD12 ILE 37 -0.274 2.094 -0.643 267 HD13 ILE 37 HD13 ILE 37 0.732 0.641 -0.878 268 H GLU 38 H GLU 38 0.939 3.860 -5.123 269 HA GLU 38 HA GLU 38 -0.190 6.155 -3.943 270 HB2 GLU 38 HB2 GLU 38 1.944 5.605 -6.023 271 HB3 GLU 38 HB3 GLU 38 1.417 7.261 -5.759 272 HG2 GLU 38 HG2 GLU 38 1.868 7.016 -3.308 273 HG3 GLU 38 HG3 GLU 38 2.466 5.382 -3.589 274 H HIS 39 H HIS 39 -0.841 4.692 -7.097 275 HA HIS 39 HA HIS 39 -2.684 6.955 -7.736 276 HB2 HIS 39 HB2 HIS 39 -0.773 6.663 -9.251 277 HB3 HIS 39 HB3 HIS 39 -1.257 4.998 -9.559 278 HD1 HIS 39 HD1 HIS 39 -2.386 8.614 -10.356 279 HD2 HIS 39 HD2 HIS 39 -3.219 4.581 -11.283 280 HE1 HIS 39 HE1 HIS 39 -3.869 8.629 -12.432 281 H TYR 40 H TYR 40 -2.583 3.477 -7.061 282 HA TYR 40 HA TYR 40 -5.146 2.940 -8.327 283 HB2 TYR 40 HB2 TYR 40 -3.449 1.359 -6.353 284 HB3 TYR 40 HB3 TYR 40 -5.016 0.818 -6.896 285 HD1 TYR 40 HD1 TYR 40 -1.954 -0.453 -7.309 286 HD2 TYR 40 HD2 TYR 40 -4.937 1.549 -9.842 287 HE1 TYR 40 HE1 TYR 40 -1.248 -1.692 -9.247 288 HE2 TYR 40 HE2 TYR 40 -4.021 0.399 -11.781 289 HH TYR 40 HH TYR 40 -1.273 -1.891 -11.564 290 H SER 41 H SER 41 -6.889 3.995 -7.663 291 HA SER 41 HA SER 41 -7.257 5.016 -5.018 292 HB2 SER 41 HB2 SER 41 -9.225 4.806 -7.318 293 HB3 SER 41 HB3 SER 41 -9.290 5.926 -5.938 294 HG SER 41 HG SER 41 -6.969 6.389 -6.822 295 H MET 42 H MET 42 -9.632 4.655 -3.988 296 HA MET 42 HA MET 42 -9.637 2.124 -2.781 297 HB2 MET 42 HB2 MET 42 -11.982 4.018 -3.142 298 HB3 MET 42 HB3 MET 42 -11.953 2.650 -2.045 299 HG2 MET 42 HG2 MET 42 -9.987 4.958 -1.842 300 HG3 MET 42 HG3 MET 42 -11.537 4.878 -1.021 301 HE1 MET 42 HE1 MET 42 -9.394 4.525 2.009 302 HE2 MET 42 HE2 MET 42 -10.033 5.642 0.791 303 HE3 MET 42 HE3 MET 42 -11.140 4.595 1.687 304 H ASP 43 H ASP 43 -11.276 3.149 -5.750 305 HA ASP 43 HA ASP 43 -13.116 1.002 -6.055 306 HB2 ASP 43 HB2 ASP 43 -11.740 2.955 -7.922 307 HB3 ASP 43 HB3 ASP 43 -12.584 1.567 -8.607 308 H ASP 44 H ASP 44 -9.734 1.403 -7.144 309 HA ASP 44 HA ASP 44 -9.532 -1.148 -8.447 310 HB2 ASP 44 HB2 ASP 44 -7.494 0.854 -7.398 311 HB3 ASP 44 HB3 ASP 44 -6.995 -0.748 -7.940 312 H LEU 45 H LEU 45 -8.841 0.019 -5.153 313 HA LEU 45 HA LEU 45 -7.718 -2.427 -4.199 314 HB2 LEU 45 HB2 LEU 45 -9.313 -0.468 -2.506 315 HB3 LEU 45 HB3 LEU 45 -8.161 -1.681 -1.982 316 HG LEU 45 HG LEU 45 -7.714 1.052 -3.090 317 HD11 LEU 45 HD11 LEU 45 -6.328 -0.660 -0.985 318 HD12 LEU 45 HD12 LEU 45 -7.587 0.577 -0.712 319 HD13 LEU 45 HD13 LEU 45 -6.018 1.050 -1.325 320 HD21 LEU 45 HD21 LEU 45 -6.436 0.006 -4.778 321 HD22 LEU 45 HD22 LEU 45 -5.788 -1.220 -3.683 322 HD23 LEU 45 HD23 LEU 45 -5.292 0.511 -3.568 323 H ALA 46 H ALA 46 -11.096 -1.256 -4.250 324 HA ALA 46 HA ALA 46 -12.261 -3.468 -2.878 325 HB1 ALA 46 HB1 ALA 46 -13.434 -1.294 -3.372 326 HB2 ALA 46 HB2 ALA 46 -13.492 -1.737 -5.082 327 HB3 ALA 46 HB3 ALA 46 -14.370 -2.715 -3.893 328 H SER 47 H SER 47 -11.566 -2.858 -6.348 329 HA SER 47 HA SER 47 -12.668 -5.303 -7.249 330 HB2 SER 47 HB2 SER 47 -12.165 -3.294 -8.669 331 HB3 SER 47 HB3 SER 47 -10.434 -3.672 -8.547 332 HG SER 47 HG SER 47 -11.736 -4.565 -10.424 333 H LEU 48 H LEU 48 -9.415 -4.459 -6.117 334 HA LEU 48 HA LEU 48 -8.239 -7.030 -6.694 335 HB2 LEU 48 HB2 LEU 48 -7.399 -4.622 -5.049 336 HB3 LEU 48 HB3 LEU 48 -6.376 -6.038 -5.233 337 HG LEU 48 HG LEU 48 -7.422 -4.514 -7.648 338 HD11 LEU 48 HD11 LEU 48 -6.121 -2.972 -6.238 339 HD12 LEU 48 HD12 LEU 48 -5.267 -3.368 -7.735 340 HD13 LEU 48 HD13 LEU 48 -4.789 -4.144 -6.204 341 HD21 LEU 48 HD21 LEU 48 -5.123 -6.466 -7.281 342 HD22 LEU 48 HD22 LEU 48 -5.472 -5.577 -8.768 343 HD23 LEU 48 HD23 LEU 48 -6.629 -6.770 -8.166 344 H LYS 49 H LYS 49 -10.745 -6.942 -4.933 345 HA LYS 49 HA LYS 49 -11.649 -8.123 -3.313 346 HB2 LYS 49 HB2 LYS 49 -9.490 -9.728 -4.279 347 HB3 LYS 49 HB3 LYS 49 -9.343 -9.783 -2.538 348 HG2 LYS 49 HG2 LYS 49 -10.724 -11.558 -3.053 349 HG3 LYS 49 HG3 LYS 49 -11.876 -10.314 -2.529 350 HD2 LYS 49 HD2 LYS 49 -12.385 -9.793 -4.884 351 HD3 LYS 49 HD3 LYS 49 -11.170 -10.946 -5.443 352 HE2 LYS 49 HE2 LYS 49 -13.555 -11.707 -3.702 353 HE3 LYS 49 HE3 LYS 49 -13.562 -11.801 -5.467 354 HZ1 LYS 49 HZ1 LYS 49 -12.990 -13.921 -4.405 355 HZ2 LYS 49 HZ2 LYS 49 -11.629 -13.279 -3.755 356 HZ3 LYS 49 HZ3 LYS 49 -11.806 -13.379 -5.399 357 H ILE 50 H ILE 50 -9.565 -5.781 -2.651 358 HA ILE 50 HA ILE 50 -8.873 -6.500 0.076 359 HB ILE 50 HB ILE 50 -8.825 -3.689 -1.002 360 HG12 ILE 50 HG12 ILE 50 -7.572 -5.056 -2.656 361 HG13 ILE 50 HG13 ILE 50 -6.551 -3.959 -1.756 362 HG21 ILE 50 HG21 ILE 50 -8.424 -4.134 1.461 363 HG22 ILE 50 HG22 ILE 50 -7.139 -5.230 1.042 364 HG23 ILE 50 HG23 ILE 50 -6.967 -3.505 0.658 365 HD11 ILE 50 HD11 ILE 50 -6.809 -6.941 -1.175 366 HD12 ILE 50 HD12 ILE 50 -5.527 -6.166 -2.128 367 HD13 ILE 50 HD13 ILE 50 -5.659 -5.807 -0.416 368 HA PRO 51 HA PRO 51 -13.005 -5.415 1.555 369 HB2 PRO 51 HB2 PRO 51 -12.698 -5.936 4.238 370 HB3 PRO 51 HB3 PRO 51 -12.824 -7.244 3.025 371 HG2 PRO 51 HG2 PRO 51 -10.316 -6.083 4.254 372 HG3 PRO 51 HG3 PRO 51 -10.743 -7.807 4.026 373 HD2 PRO 51 HD2 PRO 51 -9.125 -6.452 2.286 374 HD3 PRO 51 HD3 PRO 51 -10.251 -7.720 1.728 375 H GLU 52 H GLU 52 -13.915 -3.536 2.397 376 HA GLU 52 HA GLU 52 -12.452 -1.198 2.479 377 HB2 GLU 52 HB2 GLU 52 -14.391 -0.108 3.323 378 HB3 GLU 52 HB3 GLU 52 -14.878 -1.363 2.182 379 HG2 GLU 52 HG2 GLU 52 -15.404 -2.875 4.137 380 HG3 GLU 52 HG3 GLU 52 -15.032 -1.531 5.228 381 H GLN 53 H GLN 53 -13.259 -3.245 5.229 382 HA GLN 53 HA GLN 53 -12.526 -1.712 7.382 383 HB2 GLN 53 HB2 GLN 53 -13.737 -3.832 7.410 384 HB3 GLN 53 HB3 GLN 53 -12.296 -4.714 6.893 385 HG2 GLN 53 HG2 GLN 53 -11.194 -4.297 8.997 386 HG3 GLN 53 HG3 GLN 53 -12.442 -3.142 9.489 387 HE21 GLN 53 HE21 GLN 53 -14.182 -3.921 10.615 388 HE22 GLN 53 HE22 GLN 53 -14.658 -5.595 10.747 389 H PHE 54 H PHE 54 -10.361 -3.260 5.095 390 HA PHE 54 HA PHE 54 -8.009 -2.393 6.739 391 HB2 PHE 54 HB2 PHE 54 -7.821 -4.665 6.746 392 HB3 PHE 54 HB3 PHE 54 -8.542 -4.865 5.147 393 HD1 PHE 54 HD1 PHE 54 -7.265 -5.076 3.251 394 HD2 PHE 54 HD2 PHE 54 -5.469 -3.451 6.820 395 HE1 PHE 54 HE1 PHE 54 -5.036 -5.119 2.149 396 HE2 PHE 54 HE2 PHE 54 -3.265 -3.413 5.688 397 HZ PHE 54 HZ PHE 54 -3.058 -4.285 3.356 398 H ARG 55 H ARG 55 -9.359 -2.658 3.391 399 HA ARG 55 HA ARG 55 -7.214 -1.492 2.060 400 HB2 ARG 55 HB2 ARG 55 -8.512 -1.515 0.252 401 HB3 ARG 55 HB3 ARG 55 -9.602 -2.432 1.273 402 HG2 ARG 55 HG2 ARG 55 -10.728 -0.206 1.833 403 HG3 ARG 55 HG3 ARG 55 -9.808 0.484 0.489 404 HD2 ARG 55 HD2 ARG 55 -10.880 -1.068 -1.079 405 HD3 ARG 55 HD3 ARG 55 -11.637 -1.935 0.270 406 HE ARG 55 HE ARG 55 -12.231 0.895 0.239 407 HH11 ARG 55 HH11 ARG 55 -13.327 -2.297 -0.815 408 HH12 ARG 55 HH12 ARG 55 -15.003 -1.873 -0.908 409 HH21 ARG 55 HH21 ARG 55 -14.395 1.574 -0.128 410 HH22 ARG 55 HH22 ARG 55 -15.616 0.421 -0.562 411 H HIS 56 H HIS 56 -9.812 0.156 3.923 412 HA HIS 56 HA HIS 56 -9.077 2.750 3.127 413 HB2 HIS 56 HB2 HIS 56 -11.169 1.923 4.388 414 HB3 HIS 56 HB3 HIS 56 -10.207 1.975 5.851 415 HD1 HIS 56 HD1 HIS 56 -12.539 4.050 3.932 416 HD2 HIS 56 HD2 HIS 56 -9.053 4.687 6.249 417 HE1 HIS 56 HE1 HIS 56 -12.506 6.514 4.544 418 H ALA 57 H ALA 57 -7.556 0.566 5.544 419 HA ALA 57 HA ALA 57 -6.087 2.661 6.875 420 HB1 ALA 57 HB1 ALA 57 -5.511 -0.330 6.727 421 HB2 ALA 57 HB2 ALA 57 -4.852 0.826 7.890 422 HB3 ALA 57 HB3 ALA 57 -6.582 0.435 7.924 423 H ILE 58 H ILE 58 -5.207 0.201 4.326 424 HA ILE 58 HA ILE 58 -2.532 1.178 4.103 425 HB ILE 58 HB ILE 58 -2.806 -0.927 3.277 426 HG12 ILE 58 HG12 ILE 58 -3.068 0.764 0.751 427 HG13 ILE 58 HG13 ILE 58 -1.583 0.702 1.695 428 HG21 ILE 58 HG21 ILE 58 -4.454 -1.823 1.754 429 HG22 ILE 58 HG22 ILE 58 -5.260 -1.071 3.092 430 HG23 ILE 58 HG23 ILE 58 -5.165 -0.227 1.516 431 HD11 ILE 58 HD11 ILE 58 -1.090 -1.472 0.976 432 HD12 ILE 58 HD12 ILE 58 -2.764 -1.809 0.476 433 HD13 ILE 58 HD13 ILE 58 -1.755 -0.680 -0.427 434 H TRP 59 H TRP 59 -5.470 1.815 2.151 435 HA TRP 59 HA TRP 59 -4.263 3.641 0.418 436 HB2 TRP 59 HB2 TRP 59 -6.602 2.516 0.337 437 HB3 TRP 59 HB3 TRP 59 -7.159 3.941 1.206 438 HD1 TRP 59 HD1 TRP 59 -5.169 2.996 -1.938 439 HE1 TRP 59 HE1 TRP 59 -5.510 4.709 -3.777 440 HE3 TRP 59 HE3 TRP 59 -7.914 6.363 0.692 441 HZ2 TRP 59 HZ2 TRP 59 -7.042 7.180 -4.142 442 HZ3 TRP 59 HZ3 TRP 59 -8.790 8.389 -0.412 443 HH2 TRP 59 HH2 TRP 59 -8.410 8.777 -2.845 444 H LYS 60 H LYS 60 -6.202 4.461 3.384 445 HA LYS 60 HA LYS 60 -5.779 7.232 3.197 446 HB2 LYS 60 HB2 LYS 60 -7.383 6.130 4.727 447 HB3 LYS 60 HB3 LYS 60 -6.034 5.528 5.717 448 HG2 LYS 60 HG2 LYS 60 -5.403 7.801 6.315 449 HG3 LYS 60 HG3 LYS 60 -6.634 8.455 5.201 450 HD2 LYS 60 HD2 LYS 60 -8.438 7.522 6.517 451 HD3 LYS 60 HD3 LYS 60 -7.302 6.660 7.564 452 HE2 LYS 60 HE2 LYS 60 -8.149 8.682 8.653 453 HE3 LYS 60 HE3 LYS 60 -6.400 8.763 8.413 454 HZ1 LYS 60 HZ1 LYS 60 -7.536 10.819 7.857 455 HZ2 LYS 60 HZ2 LYS 60 -8.382 10.083 6.654 456 HZ3 LYS 60 HZ3 LYS 60 -6.711 10.224 6.598 457 H GLY 61 H GLY 61 -3.672 4.678 4.569 458 HA2 GLY 61 HA2 GLY 61 -1.756 6.304 5.831 459 HA3 GLY 61 HA3 GLY 61 -1.462 4.681 5.139 460 H ILE 62 H ILE 62 -1.701 4.983 2.441 461 HA ILE 62 HA ILE 62 0.786 6.353 1.969 462 HB ILE 62 HB ILE 62 0.078 4.356 0.903 463 HG12 ILE 62 HG12 ILE 62 0.940 4.878 -1.419 464 HG13 ILE 62 HG13 ILE 62 0.876 6.593 -1.000 465 HG21 ILE 62 HG21 ILE 62 -1.301 4.274 -1.142 466 HG22 ILE 62 HG22 ILE 62 -2.227 4.717 0.281 467 HG23 ILE 62 HG23 ILE 62 -1.749 5.963 -0.899 468 HD11 ILE 62 HD11 ILE 62 2.506 4.468 0.456 469 HD12 ILE 62 HD12 ILE 62 3.144 5.569 -0.782 470 HD13 ILE 62 HD13 ILE 62 2.572 6.223 0.760 471 H LEU 63 H LEU 63 -2.597 7.144 1.219 472 HA LEU 63 HA LEU 63 -2.114 9.562 -0.191 473 HB2 LEU 63 HB2 LEU 63 -4.401 8.442 1.406 474 HB3 LEU 63 HB3 LEU 63 -4.440 10.141 1.008 475 HG LEU 63 HG LEU 63 -5.679 8.635 -0.550 476 HD11 LEU 63 HD11 LEU 63 -5.074 9.854 -2.548 477 HD12 LEU 63 HD12 LEU 63 -3.524 10.335 -1.841 478 HD13 LEU 63 HD13 LEU 63 -5.047 10.939 -1.144 479 HD21 LEU 63 HD21 LEU 63 -2.931 7.879 -1.633 480 HD22 LEU 63 HD22 LEU 63 -4.490 7.506 -2.367 481 HD23 LEU 63 HD23 LEU 63 -4.076 6.779 -0.816 482 H ASP 64 H ASP 64 -2.091 8.767 3.135 483 HA ASP 64 HA ASP 64 -2.057 11.476 4.264 484 HB2 ASP 64 HB2 ASP 64 -2.988 9.702 5.547 485 HB3 ASP 64 HB3 ASP 64 -1.510 8.744 5.472 486 H HIS 65 H HIS 65 0.292 9.108 3.188 487 HA HIS 65 HA HIS 65 2.578 10.256 4.508 488 HB2 HIS 65 HB2 HIS 65 2.694 7.957 3.878 489 HB3 HIS 65 HB3 HIS 65 2.260 8.282 2.213 490 HD1 HIS 65 HD1 HIS 65 5.196 9.506 4.433 491 HD2 HIS 65 HD2 HIS 65 4.189 8.061 0.610 492 HE1 HIS 65 HE1 HIS 65 7.405 9.337 3.085 493 H ARG 66 H ARG 66 1.352 10.403 1.104 494 HA ARG 66 HA ARG 66 3.325 12.506 0.577 495 HB2 ARG 66 HB2 ARG 66 2.242 13.076 -1.463 496 HB3 ARG 66 HB3 ARG 66 2.465 11.348 -1.336 497 HG2 ARG 66 HG2 ARG 66 -0.196 12.382 -0.382 498 HG3 ARG 66 HG3 ARG 66 0.139 12.575 -2.127 499 HD2 ARG 66 HD2 ARG 66 0.131 10.228 -0.348 500 HD3 ARG 66 HD3 ARG 66 -1.089 10.574 -1.571 501 HE ARG 66 HE ARG 66 1.574 9.377 -2.059 502 HH11 ARG 66 HH11 ARG 66 -1.161 11.139 -3.487 503 HH12 ARG 66 HH12 ARG 66 -0.609 10.944 -5.110 504 HH21 ARG 66 HH21 ARG 66 2.284 9.078 -4.281 505 HH22 ARG 66 HH22 ARG 66 1.368 9.830 -5.550 506 H GLN 67 H GLN 67 -0.029 12.553 1.828 507 HA GLN 67 HA GLN 67 -0.517 15.305 1.454 508 HB2 GLN 67 HB2 GLN 67 -2.286 13.943 2.192 509 HB3 GLN 67 HB3 GLN 67 -1.371 13.321 3.566 510 HG2 GLN 67 HG2 GLN 67 -3.148 14.882 4.213 511 HG3 GLN 67 HG3 GLN 67 -1.534 15.339 4.748 512 HE21 GLN 67 HE21 GLN 67 -1.719 17.602 4.874 513 HE22 GLN 67 HE22 GLN 67 -1.995 18.579 3.439 514 H LEU 68 H LEU 68 1.269 13.660 4.185 515 HA LEU 68 HA LEU 68 1.948 16.223 5.330 516 HB2 LEU 68 HB2 LEU 68 2.626 13.327 5.903 517 HB3 LEU 68 HB3 LEU 68 3.638 14.612 6.556 518 HG LEU 68 HG LEU 68 1.258 15.671 7.222 519 HD11 LEU 68 HD11 LEU 68 -0.298 14.001 8.073 520 HD12 LEU 68 HD12 LEU 68 0.717 12.689 7.392 521 HD13 LEU 68 HD13 LEU 68 -0.098 13.849 6.335 522 HD21 LEU 68 HD21 LEU 68 2.698 13.561 8.871 523 HD22 LEU 68 HD22 LEU 68 1.612 14.840 9.494 524 HD23 LEU 68 HD23 LEU 68 3.154 15.263 8.738 525 H HIS 69 H HIS 69 3.890 13.704 3.599 526 HA HIS 69 HA HIS 69 5.902 13.646 2.808 527 HB2 HIS 69 HB2 HIS 69 4.551 14.546 1.021 528 HB3 HIS 69 HB3 HIS 69 5.005 16.171 1.489 529 HD1 HIS 69 HD1 HIS 69 6.910 12.810 0.529 530 HD2 HIS 69 HD2 HIS 69 6.939 16.992 -0.183 531 HE1 HIS 69 HE1 HIS 69 8.696 13.229 -1.122 532 H ASP 70 H ASP 70 5.710 14.781 5.329 533 HA ASP 70 HA ASP 70 7.592 16.871 5.861 534 HB2 ASP 70 HB2 ASP 70 7.140 16.446 8.116 535 HB3 ASP 70 HB3 ASP 70 5.617 16.074 7.327 Start of MODEL 15 1 H1 GLY 1 H GLY 1 24.413 -3.536 -3.837 2 HA2 GLY 1 HA2 GLY 1 23.845 -1.188 -4.520 3 HA3 GLY 1 HA3 GLY 1 22.885 -1.132 -3.031 4 HA PRO 2 HA PRO 2 27.191 0.301 -1.946 5 HB2 PRO 2 HB2 PRO 2 26.511 2.591 -0.639 6 HB3 PRO 2 HB3 PRO 2 26.440 2.497 -2.426 7 HG2 PRO 2 HG2 PRO 2 24.156 2.116 -0.458 8 HG3 PRO 2 HG3 PRO 2 24.218 3.208 -1.883 9 HD2 PRO 2 HD2 PRO 2 23.124 0.709 -1.995 10 HD3 PRO 2 HD3 PRO 2 24.005 1.409 -3.388 11 H LEU 3 H LEU 3 27.729 1.221 0.576 12 HA LEU 3 HA LEU 3 27.175 -1.052 2.226 13 HB2 LEU 3 HB2 LEU 3 28.405 -0.063 3.903 14 HB3 LEU 3 HB3 LEU 3 29.196 0.503 2.449 15 HG LEU 3 HG LEU 3 27.236 2.129 4.164 16 HD11 LEU 3 HD11 LEU 3 29.199 3.310 4.983 17 HD12 LEU 3 HD12 LEU 3 30.270 2.257 4.018 18 HD13 LEU 3 HD13 LEU 3 29.310 1.590 5.358 19 HD21 LEU 3 HD21 LEU 3 28.153 4.084 2.910 20 HD22 LEU 3 HD22 LEU 3 27.262 2.981 1.863 21 HD23 LEU 3 HD23 LEU 3 29.041 2.980 1.853 22 H GLY 4 H GLY 4 25.890 -1.142 4.162 23 HA2 GLY 4 HA2 GLY 4 24.187 -0.464 5.623 24 HA3 GLY 4 HA3 GLY 4 23.870 0.958 4.637 25 H SER 5 H SER 5 21.947 -1.111 5.576 26 HA SER 5 HA SER 5 20.938 -2.060 2.920 27 HB2 SER 5 HB2 SER 5 20.420 -3.460 5.542 28 HB3 SER 5 HB3 SER 5 20.078 -3.983 3.878 29 HG SER 5 HG SER 5 22.398 -3.984 3.546 30 H THR 6 H THR 6 19.409 -0.741 2.325 31 HA THR 6 HA THR 6 17.104 -0.183 4.077 32 HB THR 6 HB THR 6 17.142 2.126 2.822 33 HG1 THR 6 HG1 THR 6 19.913 1.949 3.082 34 HG21 THR 6 HG21 THR 6 19.056 1.536 5.126 35 HG22 THR 6 HG22 THR 6 17.327 1.897 5.254 36 HG23 THR 6 HG23 THR 6 18.443 3.133 4.673 37 H ASP 7 H ASP 7 15.148 0.121 2.732 38 HA ASP 7 HA ASP 7 15.213 -0.365 -0.124 39 HB2 ASP 7 HB2 ASP 7 14.363 -2.549 1.836 40 HB3 ASP 7 HB3 ASP 7 13.662 -2.419 0.225 41 H CYS 8 H CYS 8 13.097 0.142 -0.962 42 HA CYS 8 HA CYS 8 11.044 0.906 1.058 43 HB2 CYS 8 HB2 CYS 8 11.939 2.612 -1.303 44 HB3 CYS 8 HB3 CYS 8 10.646 2.976 -0.149 45 HG CYS 8 HG CYS 8 13.909 2.714 0.337 46 H SER 9 H SER 9 10.078 -1.139 0.489 47 HA SER 9 HA SER 9 8.571 -1.170 -2.073 48 HB2 SER 9 HB2 SER 9 9.822 -3.413 -0.435 49 HB3 SER 9 HB3 SER 9 8.712 -3.684 -1.768 50 HG SER 9 HG SER 9 10.948 -3.846 -2.265 51 H ILE 10 H ILE 10 6.406 -2.474 -1.692 52 HA ILE 10 HA ILE 10 4.990 -1.252 0.391 53 HB ILE 10 HB ILE 10 4.475 -3.434 -1.478 54 HG12 ILE 10 HG12 ILE 10 3.955 -1.028 -1.716 55 HG13 ILE 10 HG13 ILE 10 2.569 -2.101 -2.030 56 HG21 ILE 10 HG21 ILE 10 2.222 -4.050 -0.536 57 HG22 ILE 10 HG22 ILE 10 3.617 -4.765 0.304 58 HG23 ILE 10 HG23 ILE 10 2.756 -3.386 1.006 59 HD11 ILE 10 HD11 ILE 10 1.393 -1.314 -0.267 60 HD12 ILE 10 HD12 ILE 10 2.829 -1.007 0.739 61 HD13 ILE 10 HD13 ILE 10 2.413 0.115 -0.567 62 H VAL 11 H VAL 11 6.837 -4.127 0.537 63 HA VAL 11 HA VAL 11 5.778 -5.252 2.923 64 HB VAL 11 HB VAL 11 8.204 -5.971 3.334 65 HG11 VAL 11 HG11 VAL 11 6.736 -6.668 0.730 66 HG12 VAL 11 HG12 VAL 11 7.965 -7.679 1.509 67 HG13 VAL 11 HG13 VAL 11 6.426 -7.375 2.324 68 HG21 VAL 11 HG21 VAL 11 8.619 -5.096 0.450 69 HG22 VAL 11 HG22 VAL 11 9.336 -4.274 1.863 70 HG23 VAL 11 HG23 VAL 11 9.753 -5.946 1.505 71 H SER 12 H SER 12 8.341 -2.722 2.669 72 HA SER 12 HA SER 12 8.608 -2.316 5.468 73 HB2 SER 12 HB2 SER 12 9.055 -0.539 3.035 74 HB3 SER 12 HB3 SER 12 9.619 -0.140 4.689 75 HG SER 12 HG SER 12 10.835 -2.047 4.661 76 H PHE 13 H PHE 13 6.420 -0.771 2.981 77 HA PHE 13 HA PHE 13 5.445 1.147 4.891 78 HB2 PHE 13 HB2 PHE 13 5.180 1.471 2.505 79 HB3 PHE 13 HB3 PHE 13 4.186 0.040 2.364 80 HD1 PHE 13 HD1 PHE 13 1.947 0.704 1.859 81 HD2 PHE 13 HD2 PHE 13 4.148 2.963 4.804 82 HE1 PHE 13 HE1 PHE 13 -0.061 2.094 2.329 83 HE2 PHE 13 HE2 PHE 13 2.119 4.278 5.301 84 HZ PHE 13 HZ PHE 13 0.008 3.809 4.080 85 H PHE 14 H PHE 14 4.274 -2.118 3.927 86 HA PHE 14 HA PHE 14 2.005 -2.121 5.633 87 HB2 PHE 14 HB2 PHE 14 3.643 -4.195 4.203 88 HB3 PHE 14 HB3 PHE 14 2.489 -4.719 5.370 89 HD1 PHE 14 HD1 PHE 14 1.046 -5.820 3.836 90 HD2 PHE 14 HD2 PHE 14 1.852 -1.635 3.249 91 HE1 PHE 14 HE1 PHE 14 -0.685 -5.735 2.082 92 HE2 PHE 14 HE2 PHE 14 0.108 -1.528 1.575 93 HZ PHE 14 HZ PHE 14 -1.141 -3.595 0.904 94 H ALA 15 H ALA 15 5.394 -3.021 6.250 95 HA ALA 15 HA ALA 15 4.994 -4.151 8.843 96 HB1 ALA 15 HB1 ALA 15 7.098 -4.423 7.566 97 HB2 ALA 15 HB2 ALA 15 7.418 -2.679 7.683 98 HB3 ALA 15 HB3 ALA 15 7.413 -3.677 9.144 99 H ARG 16 H ARG 16 5.683 -0.807 7.679 100 HA ARG 16 HA ARG 16 5.670 0.471 10.231 101 HB2 ARG 16 HB2 ARG 16 5.007 1.518 7.447 102 HB3 ARG 16 HB3 ARG 16 5.049 2.545 8.851 103 HG2 ARG 16 HG2 ARG 16 7.489 0.852 8.308 104 HG3 ARG 16 HG3 ARG 16 7.149 2.175 7.198 105 HD2 ARG 16 HD2 ARG 16 7.425 2.485 10.210 106 HD3 ARG 16 HD3 ARG 16 8.703 2.809 9.031 107 HE ARG 16 HE ARG 16 6.554 4.346 8.177 108 HH11 ARG 16 HH11 ARG 16 8.609 4.223 11.121 109 HH12 ARG 16 HH12 ARG 16 8.356 5.889 11.475 110 HH21 ARG 16 HH21 ARG 16 6.202 6.629 8.813 111 HH22 ARG 16 HH22 ARG 16 6.895 7.125 10.319 112 H LEU 17 H LEU 17 2.978 -0.305 7.980 113 HA LEU 17 HA LEU 17 0.938 1.112 9.446 114 HB2 LEU 17 HB2 LEU 17 0.677 -1.440 7.772 115 HB3 LEU 17 HB3 LEU 17 -0.676 -0.551 8.428 116 HG LEU 17 HG LEU 17 1.265 0.465 6.359 117 HD11 LEU 17 HD11 LEU 17 -0.281 -1.300 5.562 118 HD12 LEU 17 HD12 LEU 17 -0.575 0.265 4.796 119 HD13 LEU 17 HD13 LEU 17 -1.661 -0.313 6.091 120 HD21 LEU 17 HD21 LEU 17 0.449 2.376 7.657 121 HD22 LEU 17 HD22 LEU 17 -1.222 1.775 7.559 122 HD23 LEU 17 HD23 LEU 17 -0.389 2.358 6.107 123 H GLY 18 H GLY 18 2.198 -2.218 9.656 124 HA2 GLY 18 HA2 GLY 18 2.464 -3.390 11.666 125 HA3 GLY 18 HA3 GLY 18 1.070 -2.539 12.363 126 H CYS 19 H CYS 19 0.886 -3.723 8.998 127 HA CYS 19 HA CYS 19 -1.353 -5.391 9.865 128 HB2 CYS 19 HB2 CYS 19 -1.921 -5.655 7.594 129 HB3 CYS 19 HB3 CYS 19 -1.452 -3.960 7.837 130 HG CYS 19 HG CYS 19 1.129 -4.467 7.135 131 H SER 20 H SER 20 -1.548 -7.682 8.787 132 HA SER 20 HA SER 20 1.026 -9.153 8.938 133 HB2 SER 20 HB2 SER 20 -0.187 -10.904 10.278 134 HB3 SER 20 HB3 SER 20 0.188 -9.406 11.131 135 HG SER 20 HG SER 20 -1.887 -8.822 11.176 136 H SER 21 H SER 21 -2.250 -10.511 8.766 137 HA SER 21 HA SER 21 -1.800 -12.140 6.602 138 HB2 SER 21 HB2 SER 21 -4.426 -11.955 6.422 139 HB3 SER 21 HB3 SER 21 -3.627 -12.690 7.810 140 HG SER 21 HG SER 21 -5.161 -11.364 8.579 141 H CYS 22 H CYS 22 -2.617 -8.711 6.507 142 HA CYS 22 HA CYS 22 -3.432 -8.693 3.769 143 HB2 CYS 22 HB2 CYS 22 -2.139 -6.351 5.232 144 HB3 CYS 22 HB3 CYS 22 -3.345 -6.300 3.944 145 HG CYS 22 HG CYS 22 -5.225 -7.561 5.386 146 H LEU 23 H LEU 23 -0.205 -8.423 5.340 147 HA LEU 23 HA LEU 23 1.097 -7.690 2.874 148 HB2 LEU 23 HB2 LEU 23 2.981 -7.484 4.090 149 HB3 LEU 23 HB3 LEU 23 1.832 -7.354 5.389 150 HG LEU 23 HG LEU 23 2.297 -9.950 5.730 151 HD11 LEU 23 HD11 LEU 23 4.730 -9.038 4.145 152 HD12 LEU 23 HD12 LEU 23 3.682 -10.418 3.781 153 HD13 LEU 23 HD13 LEU 23 4.708 -10.466 5.205 154 HD21 LEU 23 HD21 LEU 23 4.145 -9.359 7.237 155 HD22 LEU 23 HD22 LEU 23 2.851 -8.162 7.332 156 HD23 LEU 23 HD23 LEU 23 4.334 -7.789 6.421 157 H ASP 24 H ASP 24 0.326 -10.640 4.583 158 HA ASP 24 HA ASP 24 1.826 -12.543 3.121 159 HB2 ASP 24 HB2 ASP 24 -0.590 -12.586 4.872 160 HB3 ASP 24 HB3 ASP 24 -0.433 -13.934 3.782 161 H TYR 25 H TYR 25 -1.552 -11.408 2.675 162 HA TYR 25 HA TYR 25 -1.956 -12.935 0.288 163 HB2 TYR 25 HB2 TYR 25 -3.326 -10.356 1.099 164 HB3 TYR 25 HB3 TYR 25 -3.901 -11.523 -0.087 165 HD1 TYR 25 HD1 TYR 25 -5.263 -10.404 2.475 166 HD2 TYR 25 HD2 TYR 25 -3.133 -14.093 1.712 167 HE1 TYR 25 HE1 TYR 25 -6.546 -11.521 4.240 168 HE2 TYR 25 HE2 TYR 25 -4.432 -15.206 3.455 169 HH TYR 25 HH TYR 25 -6.239 -15.000 5.029 170 H PHE 26 H PHE 26 -0.901 -9.444 0.696 171 HA PHE 26 HA PHE 26 -0.750 -8.926 -2.041 172 HB2 PHE 26 HB2 PHE 26 0.339 -7.760 0.437 173 HB3 PHE 26 HB3 PHE 26 1.378 -7.502 -0.917 174 HD1 PHE 26 HD1 PHE 26 0.619 -6.154 -2.918 175 HD2 PHE 26 HD2 PHE 26 -1.974 -6.850 0.447 176 HE1 PHE 26 HE1 PHE 26 -0.689 -4.175 -3.550 177 HE2 PHE 26 HE2 PHE 26 -3.332 -4.942 -0.212 178 HZ PHE 26 HZ PHE 26 -2.700 -3.547 -2.229 179 H THR 27 H THR 27 1.896 -10.342 0.009 180 HA THR 27 HA THR 27 3.696 -10.520 -2.196 181 HB THR 27 HB THR 27 4.529 -10.584 0.059 182 HG1 THR 27 HG1 THR 27 5.897 -12.356 0.002 183 HG21 THR 27 HG21 THR 27 3.162 -13.250 0.501 184 HG22 THR 27 HG22 THR 27 2.828 -11.740 1.315 185 HG23 THR 27 HG23 THR 27 4.353 -12.504 1.582 186 H THR 28 H THR 28 1.230 -12.783 -0.997 187 HA THR 28 HA THR 28 1.862 -14.966 -2.715 188 HB THR 28 HB THR 28 -0.752 -14.067 -1.411 189 HG1 THR 28 HG1 THR 28 0.807 -14.413 0.087 190 HG21 THR 28 HG21 THR 28 0.006 -16.770 -2.570 191 HG22 THR 28 HG22 THR 28 -1.294 -15.678 -3.093 192 HG23 THR 28 HG23 THR 28 -1.403 -16.455 -1.506 193 H GLN 29 H GLN 29 0.183 -11.904 -3.314 194 HA GLN 29 HA GLN 29 -0.907 -12.829 -5.891 195 HB2 GLN 29 HB2 GLN 29 -1.069 -10.181 -4.400 196 HB3 GLN 29 HB3 GLN 29 -1.864 -10.571 -5.945 197 HG2 GLN 29 HG2 GLN 29 -3.109 -12.388 -4.959 198 HG3 GLN 29 HG3 GLN 29 -2.377 -12.163 -3.405 199 HE21 GLN 29 HE21 GLN 29 -4.931 -12.226 -3.165 200 HE22 GLN 29 HE22 GLN 29 -5.706 -10.649 -3.155 201 H GLY 30 H GLY 30 1.865 -11.013 -4.621 202 HA2 GLY 30 HA2 GLY 30 3.820 -10.392 -5.720 203 HA3 GLY 30 HA3 GLY 30 3.234 -11.217 -7.176 204 H LEU 31 H LEU 31 1.562 -8.643 -5.430 205 HA LEU 31 HA LEU 31 2.058 -6.718 -7.666 206 HB2 LEU 31 HB2 LEU 31 -0.367 -6.073 -7.443 207 HB3 LEU 31 HB3 LEU 31 0.046 -7.546 -8.298 208 HG LEU 31 HG LEU 31 -0.539 -8.841 -6.229 209 HD11 LEU 31 HD11 LEU 31 -0.414 -7.221 -4.506 210 HD12 LEU 31 HD12 LEU 31 -2.095 -7.714 -4.608 211 HD13 LEU 31 HD13 LEU 31 -1.604 -6.158 -5.299 212 HD21 LEU 31 HD21 LEU 31 -1.993 -8.771 -8.099 213 HD22 LEU 31 HD22 LEU 31 -2.657 -7.204 -7.596 214 HD23 LEU 31 HD23 LEU 31 -2.962 -8.670 -6.621 215 H THR 32 H THR 32 3.192 -6.997 -4.971 216 HA THR 32 HA THR 32 2.058 -4.711 -3.485 217 HB THR 32 HB THR 32 2.927 -5.709 -1.723 218 HG1 THR 32 HG1 THR 32 5.413 -6.269 -2.921 219 HG21 THR 32 HG21 THR 32 3.532 -7.984 -1.689 220 HG22 THR 32 HG22 THR 32 4.023 -7.981 -3.398 221 HG23 THR 32 HG23 THR 32 2.318 -7.768 -2.953 222 H THR 33 H THR 33 2.602 -2.618 -3.997 223 HA THR 33 HA THR 33 5.323 -2.005 -4.309 224 HB THR 33 HB THR 33 5.358 -2.531 -6.494 225 HG1 THR 33 HG1 THR 33 5.404 -0.877 -7.644 226 HG21 THR 33 HG21 THR 33 3.439 -2.455 -8.137 227 HG22 THR 33 HG22 THR 33 2.335 -2.147 -6.764 228 HG23 THR 33 HG23 THR 33 3.277 -3.625 -6.867 229 H ILE 34 H ILE 34 5.743 0.198 -4.139 230 HA ILE 34 HA ILE 34 3.703 1.556 -2.530 231 HB ILE 34 HB ILE 34 6.397 2.669 -3.409 232 HG12 ILE 34 HG12 ILE 34 6.668 0.497 -2.116 233 HG13 ILE 34 HG13 ILE 34 7.451 1.928 -1.475 234 HG21 ILE 34 HG21 ILE 34 4.481 3.385 -1.146 235 HG22 ILE 34 HG22 ILE 34 6.129 4.003 -1.266 236 HG23 ILE 34 HG23 ILE 34 4.941 4.415 -2.523 237 HD11 ILE 34 HD11 ILE 34 5.744 2.190 0.264 238 HD12 ILE 34 HD12 ILE 34 4.791 0.858 -0.430 239 HD13 ILE 34 HD13 ILE 34 6.379 0.579 0.314 240 H TYR 35 H TYR 35 5.449 2.392 -5.483 241 HA TYR 35 HA TYR 35 4.188 4.769 -6.189 242 HB2 TYR 35 HB2 TYR 35 5.417 2.743 -8.068 243 HB3 TYR 35 HB3 TYR 35 5.286 4.475 -8.290 244 HD1 TYR 35 HD1 TYR 35 7.832 2.763 -8.516 245 HD2 TYR 35 HD2 TYR 35 6.213 5.052 -5.216 246 HE1 TYR 35 HE1 TYR 35 10.051 2.734 -7.377 247 HE2 TYR 35 HE2 TYR 35 8.351 4.907 -4.059 248 HH TYR 35 HH TYR 35 10.278 3.710 -3.989 249 H GLN 36 H GLN 36 2.915 1.743 -6.247 250 HA GLN 36 HA GLN 36 0.984 2.323 -8.477 251 HB2 GLN 36 HB2 GLN 36 1.621 -0.205 -6.947 252 HB3 GLN 36 HB3 GLN 36 0.334 -0.069 -8.138 253 HG2 GLN 36 HG2 GLN 36 3.294 0.250 -8.713 254 HG3 GLN 36 HG3 GLN 36 2.217 -1.049 -9.251 255 HE21 GLN 36 HE21 GLN 36 3.662 1.839 -10.265 256 HE22 GLN 36 HE22 GLN 36 2.568 2.154 -11.582 257 H ILE 37 H ILE 37 0.906 1.496 -4.913 258 HA ILE 37 HA ILE 37 -1.945 1.603 -4.885 259 HB ILE 37 HB ILE 37 -1.779 1.777 -2.454 260 HG12 ILE 37 HG12 ILE 37 1.239 1.584 -2.751 261 HG13 ILE 37 HG13 ILE 37 0.420 3.125 -2.485 262 HG21 ILE 37 HG21 ILE 37 -1.774 -0.379 -3.644 263 HG22 ILE 37 HG22 ILE 37 -0.006 -0.359 -3.730 264 HG23 ILE 37 HG23 ILE 37 -0.825 -0.490 -2.168 265 HD11 ILE 37 HD11 ILE 37 0.252 0.710 -0.651 266 HD12 ILE 37 HD12 ILE 37 1.220 2.175 -0.383 267 HD13 ILE 37 HD13 ILE 37 -0.560 2.249 -0.381 268 H GLU 38 H GLU 38 0.255 4.182 -5.263 269 HA GLU 38 HA GLU 38 -1.441 6.231 -4.051 270 HB2 GLU 38 HB2 GLU 38 0.086 7.792 -5.303 271 HB3 GLU 38 HB3 GLU 38 0.905 6.694 -4.187 272 HG2 GLU 38 HG2 GLU 38 1.746 5.326 -5.905 273 HG3 GLU 38 HG3 GLU 38 0.688 6.026 -7.139 274 H HIS 39 H HIS 39 -1.277 4.548 -7.157 275 HA HIS 39 HA HIS 39 -3.211 6.473 -8.358 276 HB2 HIS 39 HB2 HIS 39 -1.060 6.093 -9.535 277 HB3 HIS 39 HB3 HIS 39 -1.448 4.371 -9.653 278 HD1 HIS 39 HD1 HIS 39 -2.792 7.792 -10.957 279 HD2 HIS 39 HD2 HIS 39 -3.088 3.631 -11.597 280 HE1 HIS 39 HE1 HIS 39 -4.086 7.479 -13.124 281 H TYR 40 H TYR 40 -2.852 3.182 -7.163 282 HA TYR 40 HA TYR 40 -5.295 2.237 -8.492 283 HB2 TYR 40 HB2 TYR 40 -3.406 1.063 -6.391 284 HB3 TYR 40 HB3 TYR 40 -4.926 0.306 -6.803 285 HD1 TYR 40 HD1 TYR 40 -1.662 -0.472 -7.269 286 HD2 TYR 40 HD2 TYR 40 -5.110 0.541 -9.758 287 HE1 TYR 40 HE1 TYR 40 -0.775 -1.785 -9.120 288 HE2 TYR 40 HE2 TYR 40 -4.104 -0.675 -11.611 289 HH TYR 40 HH TYR 40 -2.268 -1.984 -12.336 290 H SER 41 H SER 41 -7.023 3.415 -7.889 291 HA SER 41 HA SER 41 -7.186 4.677 -5.305 292 HB2 SER 41 HB2 SER 41 -9.323 4.378 -7.438 293 HB3 SER 41 HB3 SER 41 -9.270 5.565 -6.110 294 HG SER 41 HG SER 41 -6.996 5.902 -7.240 295 H MET 42 H MET 42 -9.473 4.457 -4.130 296 HA MET 42 HA MET 42 -9.374 2.096 -2.675 297 HB2 MET 42 HB2 MET 42 -11.830 3.850 -3.062 298 HB3 MET 42 HB3 MET 42 -11.565 2.681 -1.776 299 HG2 MET 42 HG2 MET 42 -9.526 4.074 -1.088 300 HG3 MET 42 HG3 MET 42 -10.122 5.309 -2.209 301 HE1 MET 42 HE1 MET 42 -11.524 7.227 0.788 302 HE2 MET 42 HE2 MET 42 -9.903 6.521 0.689 303 HE3 MET 42 HE3 MET 42 -10.650 7.253 -0.752 304 H ASP 43 H ASP 43 -11.344 2.682 -5.648 305 HA ASP 43 HA ASP 43 -12.820 0.241 -5.255 306 HB2 ASP 43 HB2 ASP 43 -13.534 2.201 -6.732 307 HB3 ASP 43 HB3 ASP 43 -12.406 1.565 -7.948 308 H ASP 44 H ASP 44 -9.712 0.968 -6.817 309 HA ASP 44 HA ASP 44 -9.494 -1.591 -8.131 310 HB2 ASP 44 HB2 ASP 44 -7.842 0.781 -7.875 311 HB3 ASP 44 HB3 ASP 44 -6.880 -0.628 -7.416 312 H LEU 45 H LEU 45 -8.522 -0.241 -5.004 313 HA LEU 45 HA LEU 45 -7.275 -2.644 -4.024 314 HB2 LEU 45 HB2 LEU 45 -8.426 -0.225 -2.613 315 HB3 LEU 45 HB3 LEU 45 -7.974 -1.695 -1.733 316 HG LEU 45 HG LEU 45 -5.673 -1.553 -2.523 317 HD11 LEU 45 HD11 LEU 45 -4.808 0.482 -3.612 318 HD12 LEU 45 HD12 LEU 45 -6.444 1.128 -3.725 319 HD13 LEU 45 HD13 LEU 45 -5.989 -0.309 -4.654 320 HD21 LEU 45 HD21 LEU 45 -6.269 -0.507 -0.378 321 HD22 LEU 45 HD22 LEU 45 -6.724 0.999 -1.211 322 HD23 LEU 45 HD23 LEU 45 -5.031 0.466 -1.191 323 H ALA 46 H ALA 46 -10.689 -1.634 -4.303 324 HA ALA 46 HA ALA 46 -11.717 -3.699 -2.589 325 HB1 ALA 46 HB1 ALA 46 -13.102 -1.768 -3.502 326 HB2 ALA 46 HB2 ALA 46 -13.169 -2.630 -5.052 327 HB3 ALA 46 HB3 ALA 46 -13.848 -3.374 -3.606 328 H SER 47 H SER 47 -11.085 -3.555 -6.151 329 HA SER 47 HA SER 47 -11.810 -6.170 -6.805 330 HB2 SER 47 HB2 SER 47 -9.582 -4.523 -8.047 331 HB3 SER 47 HB3 SER 47 -10.445 -5.873 -8.789 332 HG SER 47 HG SER 47 -11.028 -3.504 -9.150 333 H LEU 48 H LEU 48 -8.882 -4.965 -5.271 334 HA LEU 48 HA LEU 48 -7.336 -7.431 -5.661 335 HB2 LEU 48 HB2 LEU 48 -6.908 -4.946 -3.962 336 HB3 LEU 48 HB3 LEU 48 -5.773 -6.292 -3.986 337 HG LEU 48 HG LEU 48 -6.555 -4.677 -6.439 338 HD11 LEU 48 HD11 LEU 48 -5.314 -3.318 -4.828 339 HD12 LEU 48 HD12 LEU 48 -4.301 -3.755 -6.229 340 HD13 LEU 48 HD13 LEU 48 -4.067 -4.599 -4.672 341 HD21 LEU 48 HD21 LEU 48 -4.517 -5.753 -7.403 342 HD22 LEU 48 HD22 LEU 48 -5.815 -6.892 -7.100 343 HD23 LEU 48 HD23 LEU 48 -4.433 -6.811 -5.974 344 H LYS 49 H LYS 49 -10.054 -7.221 -4.061 345 HA LYS 49 HA LYS 49 -11.049 -8.207 -2.337 346 HB2 LYS 49 HB2 LYS 49 -8.753 -10.191 -2.601 347 HB3 LYS 49 HB3 LYS 49 -10.092 -10.381 -1.482 348 HG2 LYS 49 HG2 LYS 49 -10.982 -11.542 -3.199 349 HG3 LYS 49 HG3 LYS 49 -11.611 -9.948 -3.594 350 HD2 LYS 49 HD2 LYS 49 -9.412 -9.763 -5.074 351 HD3 LYS 49 HD3 LYS 49 -9.359 -11.504 -4.897 352 HE2 LYS 49 HE2 LYS 49 -11.591 -9.811 -6.089 353 HE3 LYS 49 HE3 LYS 49 -10.529 -10.912 -6.959 354 HZ1 LYS 49 HZ1 LYS 49 -12.633 -11.950 -6.603 355 HZ2 LYS 49 HZ2 LYS 49 -12.636 -11.624 -5.025 356 HZ3 LYS 49 HZ3 LYS 49 -11.539 -12.722 -5.606 357 H ILE 50 H ILE 50 -9.941 -5.946 -1.649 358 HA ILE 50 HA ILE 50 -8.648 -6.441 0.994 359 HB ILE 50 HB ILE 50 -8.840 -3.829 -0.503 360 HG12 ILE 50 HG12 ILE 50 -7.513 -5.511 -1.854 361 HG13 ILE 50 HG13 ILE 50 -6.628 -4.109 -1.353 362 HG21 ILE 50 HG21 ILE 50 -8.445 -3.793 1.967 363 HG22 ILE 50 HG22 ILE 50 -7.022 -4.774 1.714 364 HG23 ILE 50 HG23 ILE 50 -7.084 -3.134 1.028 365 HD11 ILE 50 HD11 ILE 50 -6.503 -6.864 -0.039 366 HD12 ILE 50 HD12 ILE 50 -5.328 -6.193 -1.192 367 HD13 ILE 50 HD13 ILE 50 -5.495 -5.464 0.405 368 HA PRO 51 HA PRO 51 -12.876 -5.458 2.369 369 HB2 PRO 51 HB2 PRO 51 -12.493 -5.627 5.094 370 HB3 PRO 51 HB3 PRO 51 -12.664 -7.063 4.042 371 HG2 PRO 51 HG2 PRO 51 -10.122 -5.800 5.085 372 HG3 PRO 51 HG3 PRO 51 -10.555 -7.536 5.016 373 HD2 PRO 51 HD2 PRO 51 -8.959 -6.342 3.148 374 HD3 PRO 51 HD3 PRO 51 -10.095 -7.658 2.711 375 H GLU 52 H GLU 52 -13.787 -3.475 2.912 376 HA GLU 52 HA GLU 52 -12.448 -1.137 2.648 377 HB2 GLU 52 HB2 GLU 52 -14.397 -0.021 3.238 378 HB3 GLU 52 HB3 GLU 52 -14.911 -1.574 2.591 379 HG2 GLU 52 HG2 GLU 52 -14.967 -2.329 5.130 380 HG3 GLU 52 HG3 GLU 52 -14.910 -0.608 5.477 381 H GLN 53 H GLN 53 -13.029 -2.737 5.742 382 HA GLN 53 HA GLN 53 -12.339 -0.747 7.539 383 HB2 GLN 53 HB2 GLN 53 -11.738 -3.732 7.818 384 HB3 GLN 53 HB3 GLN 53 -11.899 -2.554 9.127 385 HG2 GLN 53 HG2 GLN 53 -14.277 -2.151 8.409 386 HG3 GLN 53 HG3 GLN 53 -14.102 -3.417 7.187 387 HE21 GLN 53 HE21 GLN 53 -15.205 -5.261 7.870 388 HE22 GLN 53 HE22 GLN 53 -15.224 -5.808 9.529 389 H PHE 54 H PHE 54 -10.149 -3.206 6.141 390 HA PHE 54 HA PHE 54 -7.775 -1.877 7.248 391 HB2 PHE 54 HB2 PHE 54 -7.587 -4.221 7.238 392 HB3 PHE 54 HB3 PHE 54 -8.287 -4.374 5.628 393 HD1 PHE 54 HD1 PHE 54 -7.020 -4.273 3.709 394 HD2 PHE 54 HD2 PHE 54 -5.266 -2.991 7.382 395 HE1 PHE 54 HE1 PHE 54 -4.772 -4.115 2.567 396 HE2 PHE 54 HE2 PHE 54 -3.029 -2.819 6.282 397 HZ PHE 54 HZ PHE 54 -2.785 -3.401 3.877 398 H ARG 55 H ARG 55 -9.351 -2.277 4.012 399 HA ARG 55 HA ARG 55 -7.429 -1.204 2.333 400 HB2 ARG 55 HB2 ARG 55 -9.645 -2.105 1.653 401 HB3 ARG 55 HB3 ARG 55 -10.430 -0.689 2.359 402 HG2 ARG 55 HG2 ARG 55 -9.175 0.782 0.729 403 HG3 ARG 55 HG3 ARG 55 -8.501 -0.682 0.047 404 HD2 ARG 55 HD2 ARG 55 -10.283 -0.012 -1.351 405 HD3 ARG 55 HD3 ARG 55 -10.886 -1.430 -0.483 406 HE ARG 55 HE ARG 55 -11.519 0.983 0.929 407 HH11 ARG 55 HH11 ARG 55 -12.339 -0.200 -2.289 408 HH12 ARG 55 HH12 ARG 55 -14.008 0.193 -2.208 409 HH21 ARG 55 HH21 ARG 55 -13.706 1.683 1.037 410 HH22 ARG 55 HH22 ARG 55 -14.857 1.167 -0.132 411 H HIS 56 H HIS 56 -9.879 0.602 4.259 412 HA HIS 56 HA HIS 56 -9.032 3.122 3.366 413 HB2 HIS 56 HB2 HIS 56 -11.201 2.363 4.526 414 HB3 HIS 56 HB3 HIS 56 -10.332 2.546 6.050 415 HD1 HIS 56 HD1 HIS 56 -11.729 4.614 6.885 416 HD2 HIS 56 HD2 HIS 56 -10.265 4.954 2.943 417 HE1 HIS 56 HE1 HIS 56 -12.336 6.951 6.079 418 H ALA 57 H ALA 57 -7.531 0.991 5.759 419 HA ALA 57 HA ALA 57 -6.082 3.084 7.143 420 HB1 ALA 57 HB1 ALA 57 -6.582 0.838 8.165 421 HB2 ALA 57 HB2 ALA 57 -5.424 0.111 7.027 422 HB3 ALA 57 HB3 ALA 57 -4.862 1.306 8.191 423 H ILE 58 H ILE 58 -5.093 0.531 4.716 424 HA ILE 58 HA ILE 58 -2.487 1.488 4.343 425 HB ILE 58 HB ILE 58 -2.887 -0.677 3.565 426 HG12 ILE 58 HG12 ILE 58 -2.791 1.146 1.112 427 HG13 ILE 58 HG13 ILE 58 -1.443 0.479 2.059 428 HG21 ILE 58 HG21 ILE 58 -5.177 0.153 1.752 429 HG22 ILE 58 HG22 ILE 58 -4.575 -1.476 2.057 430 HG23 ILE 58 HG23 ILE 58 -5.370 -0.617 3.339 431 HD11 ILE 58 HD11 ILE 58 -1.491 -0.794 0.096 432 HD12 ILE 58 HD12 ILE 58 -2.417 -1.817 1.235 433 HD13 ILE 58 HD13 ILE 58 -3.248 -0.807 0.029 434 H TRP 59 H TRP 59 -5.442 2.132 2.412 435 HA TRP 59 HA TRP 59 -4.135 3.879 0.627 436 HB2 TRP 59 HB2 TRP 59 -6.470 2.655 0.557 437 HB3 TRP 59 HB3 TRP 59 -7.069 4.173 1.221 438 HD1 TRP 59 HD1 TRP 59 -5.041 2.825 -1.822 439 HE1 TRP 59 HE1 TRP 59 -5.422 4.295 -3.827 440 HE3 TRP 59 HE3 TRP 59 -7.682 6.493 0.489 441 HZ2 TRP 59 HZ2 TRP 59 -6.917 6.797 -4.415 442 HZ3 TRP 59 HZ3 TRP 59 -8.540 8.460 -0.808 443 HH2 TRP 59 HH2 TRP 59 -8.193 8.574 -3.246 444 H LYS 60 H LYS 60 -6.086 4.742 3.608 445 HA LYS 60 HA LYS 60 -5.643 7.505 3.339 446 HB2 LYS 60 HB2 LYS 60 -7.195 6.462 4.974 447 HB3 LYS 60 HB3 LYS 60 -5.823 5.947 5.963 448 HG2 LYS 60 HG2 LYS 60 -6.089 8.850 5.226 449 HG3 LYS 60 HG3 LYS 60 -7.263 8.204 6.347 450 HD2 LYS 60 HD2 LYS 60 -4.293 7.906 6.923 451 HD3 LYS 60 HD3 LYS 60 -5.175 9.386 7.246 452 HE2 LYS 60 HE2 LYS 60 -5.355 8.381 9.290 453 HE3 LYS 60 HE3 LYS 60 -6.885 7.944 8.545 454 HZ1 LYS 60 HZ1 LYS 60 -4.490 6.221 8.872 455 HZ2 LYS 60 HZ2 LYS 60 -5.840 5.774 8.013 456 HZ3 LYS 60 HZ3 LYS 60 -5.953 6.065 9.608 457 H GLY 61 H GLY 61 -3.561 4.983 4.808 458 HA2 GLY 61 HA2 GLY 61 -1.642 6.642 5.986 459 HA3 GLY 61 HA3 GLY 61 -1.390 4.990 5.431 460 H ILE 62 H ILE 62 -1.545 5.160 2.652 461 HA ILE 62 HA ILE 62 0.945 6.509 2.162 462 HB ILE 62 HB ILE 62 0.047 4.350 1.228 463 HG12 ILE 62 HG12 ILE 62 1.354 4.715 -0.993 464 HG13 ILE 62 HG13 ILE 62 1.538 6.383 -0.464 465 HG21 ILE 62 HG21 ILE 62 -2.055 5.147 0.227 466 HG22 ILE 62 HG22 ILE 62 -1.108 6.091 -0.956 467 HG23 ILE 62 HG23 ILE 62 -1.033 4.342 -0.968 468 HD11 ILE 62 HD11 ILE 62 3.518 5.072 0.097 469 HD12 ILE 62 HD12 ILE 62 2.731 5.553 1.600 470 HD13 ILE 62 HD13 ILE 62 2.538 3.893 0.991 471 H LEU 63 H LEU 63 -2.424 7.220 1.328 472 HA LEU 63 HA LEU 63 -1.800 9.427 -0.406 473 HB2 LEU 63 HB2 LEU 63 -4.237 8.546 1.159 474 HB3 LEU 63 HB3 LEU 63 -4.195 10.163 0.531 475 HG LEU 63 HG LEU 63 -5.381 8.513 -0.906 476 HD11 LEU 63 HD11 LEU 63 -4.665 10.660 -1.759 477 HD12 LEU 63 HD12 LEU 63 -4.494 9.424 -3.013 478 HD13 LEU 63 HD13 LEU 63 -3.053 10.015 -2.151 479 HD21 LEU 63 HD21 LEU 63 -2.608 7.553 -1.717 480 HD22 LEU 63 HD22 LEU 63 -4.149 7.097 -2.453 481 HD23 LEU 63 HD23 LEU 63 -3.801 6.593 -0.801 482 H ASP 64 H ASP 64 -1.997 9.009 3.024 483 HA ASP 64 HA ASP 64 -1.927 11.855 3.790 484 HB2 ASP 64 HB2 ASP 64 -2.860 10.271 5.328 485 HB3 ASP 64 HB3 ASP 64 -1.390 9.293 5.317 486 H HIS 65 H HIS 65 0.421 9.290 3.400 487 HA HIS 65 HA HIS 65 2.733 10.616 4.383 488 HB2 HIS 65 HB2 HIS 65 2.816 8.230 4.154 489 HB3 HIS 65 HB3 HIS 65 2.332 8.302 2.465 490 HD1 HIS 65 HD1 HIS 65 5.393 10.159 4.120 491 HD2 HIS 65 HD2 HIS 65 4.243 7.584 0.973 492 HE1 HIS 65 HE1 HIS 65 7.499 9.602 2.830 493 H ARG 66 H ARG 66 1.578 10.146 0.948 494 HA ARG 66 HA ARG 66 3.582 11.959 0.031 495 HB2 ARG 66 HB2 ARG 66 2.475 11.924 -2.119 496 HB3 ARG 66 HB3 ARG 66 2.591 10.315 -1.438 497 HG2 ARG 66 HG2 ARG 66 0.429 10.303 -2.319 498 HG3 ARG 66 HG3 ARG 66 0.142 10.693 -0.629 499 HD2 ARG 66 HD2 ARG 66 0.404 13.207 -1.618 500 HD3 ARG 66 HD3 ARG 66 -0.113 12.386 -3.090 501 HE ARG 66 HE ARG 66 -1.662 11.961 -0.605 502 HH11 ARG 66 HH11 ARG 66 -1.395 13.957 -3.528 503 HH12 ARG 66 HH12 ARG 66 -3.086 14.348 -3.577 504 HH21 ARG 66 HH21 ARG 66 -3.922 12.646 -0.574 505 HH22 ARG 66 HH22 ARG 66 -4.410 13.832 -1.718 506 H GLN 67 H GLN 67 0.290 12.477 1.401 507 HA GLN 67 HA GLN 67 0.131 15.181 0.398 508 HB2 GLN 67 HB2 GLN 67 -1.806 13.817 0.932 509 HB3 GLN 67 HB3 GLN 67 -1.331 13.740 2.645 510 HG2 GLN 67 HG2 GLN 67 -1.697 16.140 2.805 511 HG3 GLN 67 HG3 GLN 67 -2.086 16.216 1.075 512 HE21 GLN 67 HE21 GLN 67 -3.281 15.497 4.255 513 HE22 GLN 67 HE22 GLN 67 -4.887 14.938 3.857 514 H LEU 68 H LEU 68 1.848 13.794 3.140 515 HA LEU 68 HA LEU 68 2.219 16.495 4.314 516 HB2 LEU 68 HB2 LEU 68 2.525 13.667 5.372 517 HB3 LEU 68 HB3 LEU 68 3.131 15.067 6.255 518 HG LEU 68 HG LEU 68 0.204 14.764 5.424 519 HD11 LEU 68 HD11 LEU 68 1.491 14.247 8.119 520 HD12 LEU 68 HD12 LEU 68 0.907 12.990 7.011 521 HD13 LEU 68 HD13 LEU 68 -0.235 14.135 7.738 522 HD21 LEU 68 HD21 LEU 68 0.751 17.097 5.821 523 HD22 LEU 68 HD22 LEU 68 1.670 16.689 7.288 524 HD23 LEU 68 HD23 LEU 68 -0.085 16.484 7.256 525 H HIS 69 H HIS 69 3.992 13.780 2.958 526 HA HIS 69 HA HIS 69 6.117 13.237 2.723 527 HB2 HIS 69 HB2 HIS 69 5.299 14.594 0.799 528 HB3 HIS 69 HB3 HIS 69 6.158 15.977 1.480 529 HD1 HIS 69 HD1 HIS 69 6.878 12.363 0.189 530 HD2 HIS 69 HD2 HIS 69 8.758 16.095 0.814 531 HE1 HIS 69 HE1 HIS 69 9.225 12.124 -0.695 532 H ASP 70 H ASP 70 5.934 14.069 5.317 533 HA ASP 70 HA ASP 70 8.113 15.913 5.973 534 HB2 ASP 70 HB2 ASP 70 7.511 15.716 8.193 535 HB3 ASP 70 HB3 ASP 70 5.963 15.643 7.331 Start of MODEL 16 1 H1 GLY 1 H GLY 1 21.161 -6.070 -14.664 2 HA2 GLY 1 HA2 GLY 1 22.577 -7.189 -12.985 3 HA3 GLY 1 HA3 GLY 1 21.168 -6.385 -12.258 4 HA PRO 2 HA PRO 2 20.825 -11.228 -12.140 5 HB2 PRO 2 HB2 PRO 2 22.807 -12.232 -10.520 6 HB3 PRO 2 HB3 PRO 2 22.989 -12.035 -12.283 7 HG2 PRO 2 HG2 PRO 2 23.934 -10.169 -10.089 8 HG3 PRO 2 HG3 PRO 2 24.844 -10.753 -11.518 9 HD2 PRO 2 HD2 PRO 2 23.603 -8.321 -11.439 10 HD3 PRO 2 HD3 PRO 2 23.710 -9.276 -12.950 11 H LEU 3 H LEU 3 21.518 -8.811 -9.728 12 HA LEU 3 HA LEU 3 20.376 -10.234 -7.474 13 HB2 LEU 3 HB2 LEU 3 20.939 -8.366 -6.212 14 HB3 LEU 3 HB3 LEU 3 22.268 -8.595 -7.332 15 HG LEU 3 HG LEU 3 20.090 -6.477 -7.496 16 HD11 LEU 3 HD11 LEU 3 21.833 -4.908 -6.921 17 HD12 LEU 3 HD12 LEU 3 23.043 -6.202 -6.873 18 HD13 LEU 3 HD13 LEU 3 21.724 -6.158 -5.685 19 HD21 LEU 3 HD21 LEU 3 20.651 -6.910 -9.765 20 HD22 LEU 3 HD22 LEU 3 22.394 -7.041 -9.387 21 HD23 LEU 3 HD23 LEU 3 21.563 -5.481 -9.306 22 H GLY 4 H GLY 4 18.695 -8.797 -6.157 23 HA2 GLY 4 HA2 GLY 4 16.286 -8.683 -7.778 24 HA3 GLY 4 HA3 GLY 4 16.434 -8.433 -6.038 25 H SER 5 H SER 5 14.730 -6.821 -7.218 26 HA SER 5 HA SER 5 15.970 -4.180 -6.925 27 HB2 SER 5 HB2 SER 5 16.108 -4.650 -9.368 28 HB3 SER 5 HB3 SER 5 14.344 -4.855 -9.407 29 HG SER 5 HG SER 5 15.331 -2.711 -9.897 30 H THR 6 H THR 6 14.919 -4.726 -4.945 31 HA THR 6 HA THR 6 12.082 -3.950 -4.865 32 HB THR 6 HB THR 6 13.221 -6.391 -3.443 33 HG1 THR 6 HG1 THR 6 11.223 -6.335 -5.447 34 HG21 THR 6 HG21 THR 6 10.890 -6.853 -2.788 35 HG22 THR 6 HG22 THR 6 10.362 -5.323 -3.535 36 HG23 THR 6 HG23 THR 6 11.448 -5.311 -2.127 37 H ASP 7 H ASP 7 13.183 -1.995 -4.339 38 HA ASP 7 HA ASP 7 14.762 -1.873 -1.808 39 HB2 ASP 7 HB2 ASP 7 14.281 0.072 -4.104 40 HB3 ASP 7 HB3 ASP 7 14.978 0.558 -2.564 41 H CYS 8 H CYS 8 11.751 -1.111 -3.415 42 HA CYS 8 HA CYS 8 10.487 -0.205 -0.920 43 HB2 CYS 8 HB2 CYS 8 11.151 1.538 -3.046 44 HB3 CYS 8 HB3 CYS 8 9.482 1.067 -3.398 45 HG CYS 8 HG CYS 8 10.822 2.419 -0.685 46 H SER 9 H SER 9 8.356 -0.978 -0.844 47 HA SER 9 HA SER 9 6.752 -2.031 -2.823 48 HB2 SER 9 HB2 SER 9 8.277 -3.860 -3.174 49 HB3 SER 9 HB3 SER 9 8.524 -4.082 -1.444 50 HG SER 9 HG SER 9 6.584 -5.016 -3.112 51 H ILE 10 H ILE 10 4.754 -2.826 -1.671 52 HA ILE 10 HA ILE 10 4.196 -1.255 0.601 53 HB ILE 10 HB ILE 10 2.588 -3.658 -0.275 54 HG12 ILE 10 HG12 ILE 10 2.208 -0.779 -1.141 55 HG13 ILE 10 HG13 ILE 10 3.058 -1.982 -2.077 56 HG21 ILE 10 HG21 ILE 10 1.930 -2.963 1.882 57 HG22 ILE 10 HG22 ILE 10 1.871 -1.245 1.391 58 HG23 ILE 10 HG23 ILE 10 0.707 -2.429 0.757 59 HD11 ILE 10 HD11 ILE 10 0.130 -2.010 -1.387 60 HD12 ILE 10 HD12 ILE 10 0.890 -2.044 -2.981 61 HD13 ILE 10 HD13 ILE 10 1.003 -3.459 -1.935 62 H VAL 11 H VAL 11 5.661 -4.367 0.455 63 HA VAL 11 HA VAL 11 5.064 -5.436 2.971 64 HB VAL 11 HB VAL 11 7.414 -6.274 2.987 65 HG11 VAL 11 HG11 VAL 11 5.904 -6.738 0.373 66 HG12 VAL 11 HG12 VAL 11 7.022 -7.873 1.159 67 HG13 VAL 11 HG13 VAL 11 5.476 -7.474 1.922 68 HG21 VAL 11 HG21 VAL 11 8.727 -6.210 0.852 69 HG22 VAL 11 HG22 VAL 11 7.659 -4.916 0.290 70 HG23 VAL 11 HG23 VAL 11 8.710 -4.676 1.705 71 H SER 12 H SER 12 7.593 -3.023 2.215 72 HA SER 12 HA SER 12 8.503 -2.678 4.848 73 HB2 SER 12 HB2 SER 12 8.572 -0.918 2.369 74 HB3 SER 12 HB3 SER 12 9.594 -0.670 3.821 75 HG SER 12 HG SER 12 10.718 -1.903 2.274 76 H PHE 13 H PHE 13 6.050 -0.933 2.915 77 HA PHE 13 HA PHE 13 5.529 1.104 4.861 78 HB2 PHE 13 HB2 PHE 13 4.851 1.240 2.490 79 HB3 PHE 13 HB3 PHE 13 3.694 -0.066 2.718 80 HD1 PHE 13 HD1 PHE 13 1.434 0.655 2.895 81 HD2 PHE 13 HD2 PHE 13 4.594 3.208 4.321 82 HE1 PHE 13 HE1 PHE 13 -0.249 2.351 3.632 83 HE2 PHE 13 HE2 PHE 13 2.899 4.874 5.084 84 HZ PHE 13 HZ PHE 13 0.510 4.400 4.804 85 H PHE 14 H PHE 14 3.960 -2.038 4.232 86 HA PHE 14 HA PHE 14 2.041 -1.931 6.290 87 HB2 PHE 14 HB2 PHE 14 3.277 -4.084 4.578 88 HB3 PHE 14 HB3 PHE 14 2.373 -4.576 5.975 89 HD1 PHE 14 HD1 PHE 14 0.954 -5.745 4.304 90 HD2 PHE 14 HD2 PHE 14 1.116 -1.443 4.441 91 HE1 PHE 14 HE1 PHE 14 -1.149 -5.618 2.991 92 HE2 PHE 14 HE2 PHE 14 -0.992 -1.318 3.236 93 HZ PHE 14 HZ PHE 14 -2.156 -3.407 2.504 94 H ALA 15 H ALA 15 5.358 -3.260 6.318 95 HA ALA 15 HA ALA 15 5.262 -4.295 8.954 96 HB1 ALA 15 HB1 ALA 15 7.747 -3.969 8.931 97 HB2 ALA 15 HB2 ALA 15 7.155 -4.733 7.432 98 HB3 ALA 15 HB3 ALA 15 7.587 -3.012 7.453 99 H ARG 16 H ARG 16 5.994 -0.937 7.768 100 HA ARG 16 HA ARG 16 6.409 0.046 10.427 101 HB2 ARG 16 HB2 ARG 16 5.727 1.515 7.841 102 HB3 ARG 16 HB3 ARG 16 5.965 2.314 9.400 103 HG2 ARG 16 HG2 ARG 16 8.179 0.899 9.506 104 HG3 ARG 16 HG3 ARG 16 7.978 0.735 7.765 105 HD2 ARG 16 HD2 ARG 16 9.486 2.549 8.265 106 HD3 ARG 16 HD3 ARG 16 8.035 3.219 7.566 107 HE ARG 16 HE ARG 16 8.759 3.179 10.475 108 HH11 ARG 16 HH11 ARG 16 6.896 4.731 7.817 109 HH12 ARG 16 HH12 ARG 16 6.430 6.085 8.818 110 HH21 ARG 16 HH21 ARG 16 7.891 5.025 11.777 111 HH22 ARG 16 HH22 ARG 16 6.982 6.227 10.923 112 H LEU 17 H LEU 17 3.473 -0.026 8.397 113 HA LEU 17 HA LEU 17 1.777 1.299 10.297 114 HB2 LEU 17 HB2 LEU 17 1.026 -0.878 8.297 115 HB3 LEU 17 HB3 LEU 17 -0.124 0.085 9.211 116 HG LEU 17 HG LEU 17 1.748 1.098 7.056 117 HD11 LEU 17 HD11 LEU 17 -1.271 0.784 7.204 118 HD12 LEU 17 HD12 LEU 17 -0.167 -0.212 6.232 119 HD13 LEU 17 HD13 LEU 17 -0.398 1.505 5.854 120 HD21 LEU 17 HD21 LEU 17 -0.300 2.633 8.727 121 HD22 LEU 17 HD22 LEU 17 0.467 3.251 7.254 122 HD23 LEU 17 HD23 LEU 17 1.461 2.901 8.668 123 H GLY 18 H GLY 18 2.979 -2.050 10.227 124 HA2 GLY 18 HA2 GLY 18 3.128 -3.299 12.203 125 HA3 GLY 18 HA3 GLY 18 1.616 -2.608 12.793 126 H CYS 19 H CYS 19 1.454 -3.238 9.439 127 HA CYS 19 HA CYS 19 -0.548 -5.241 9.867 128 HB2 CYS 19 HB2 CYS 19 0.784 -4.257 7.322 129 HB3 CYS 19 HB3 CYS 19 -0.625 -5.329 7.350 130 HG CYS 19 HG CYS 19 -0.343 -2.336 8.771 131 H SER 20 H SER 20 -0.458 -7.522 9.256 132 HA SER 20 HA SER 20 2.278 -8.607 8.802 133 HB2 SER 20 HB2 SER 20 0.302 -9.539 10.883 134 HB3 SER 20 HB3 SER 20 1.811 -10.362 10.443 135 HG SER 20 HG SER 20 1.508 -7.746 11.545 136 H SER 21 H SER 21 -0.762 -10.532 9.229 137 HA SER 21 HA SER 21 -0.272 -12.033 6.976 138 HB2 SER 21 HB2 SER 21 -3.015 -11.359 8.081 139 HB3 SER 21 HB3 SER 21 -2.581 -12.768 7.093 140 HG SER 21 HG SER 21 -2.463 -13.498 9.121 141 H CYS 22 H CYS 22 -1.759 -8.812 6.924 142 HA CYS 22 HA CYS 22 -2.891 -9.121 4.313 143 HB2 CYS 22 HB2 CYS 22 -3.350 -7.275 6.078 144 HB3 CYS 22 HB3 CYS 22 -1.905 -6.474 5.441 145 HG CYS 22 HG CYS 22 -4.138 -5.408 4.504 146 H LEU 23 H LEU 23 0.426 -8.385 5.422 147 HA LEU 23 HA LEU 23 1.360 -7.508 2.884 148 HB2 LEU 23 HB2 LEU 23 3.359 -7.174 3.885 149 HB3 LEU 23 HB3 LEU 23 2.352 -7.185 5.308 150 HG LEU 23 HG LEU 23 3.071 -9.741 5.483 151 HD11 LEU 23 HD11 LEU 23 4.289 -9.853 3.299 152 HD12 LEU 23 HD12 LEU 23 5.323 -10.171 4.682 153 HD13 LEU 23 HD13 LEU 23 5.377 -8.572 3.881 154 HD21 LEU 23 HD21 LEU 23 4.994 -7.439 6.053 155 HD22 LEU 23 HD22 LEU 23 5.002 -9.042 6.830 156 HD23 LEU 23 HD23 LEU 23 3.645 -7.947 7.087 157 H ASP 24 H ASP 24 1.131 -10.606 4.595 158 HA ASP 24 HA ASP 24 2.593 -12.181 2.780 159 HB2 ASP 24 HB2 ASP 24 1.984 -12.915 5.036 160 HB3 ASP 24 HB3 ASP 24 0.286 -13.051 4.546 161 H TYR 25 H TYR 25 -0.877 -11.299 2.829 162 HA TYR 25 HA TYR 25 -1.592 -13.006 0.602 163 HB2 TYR 25 HB2 TYR 25 -2.869 -10.382 1.475 164 HB3 TYR 25 HB3 TYR 25 -3.583 -11.570 0.399 165 HD1 TYR 25 HD1 TYR 25 -4.363 -10.305 3.268 166 HD2 TYR 25 HD2 TYR 25 -3.056 -14.158 1.859 167 HE1 TYR 25 HE1 TYR 25 -5.476 -11.375 5.193 168 HE2 TYR 25 HE2 TYR 25 -4.212 -15.242 3.744 169 HH TYR 25 HH TYR 25 -5.387 -14.943 5.702 170 H PHE 26 H PHE 26 -0.671 -9.512 0.861 171 HA PHE 26 HA PHE 26 -0.708 -8.929 -1.876 172 HB2 PHE 26 HB2 PHE 26 0.400 -7.813 0.632 173 HB3 PHE 26 HB3 PHE 26 1.365 -7.441 -0.746 174 HD1 PHE 26 HD1 PHE 26 0.412 -6.143 -2.704 175 HD2 PHE 26 HD2 PHE 26 -1.839 -6.903 0.912 176 HE1 PHE 26 HE1 PHE 26 -1.055 -4.227 -3.221 177 HE2 PHE 26 HE2 PHE 26 -3.378 -5.089 0.333 178 HZ PHE 26 HZ PHE 26 -3.037 -3.765 -1.766 179 H THR 27 H THR 27 2.076 -10.291 0.044 180 HA THR 27 HA THR 27 3.947 -10.110 -2.119 181 HB THR 27 HB THR 27 5.231 -11.733 -0.666 182 HG1 THR 27 HG1 THR 27 4.292 -12.564 1.056 183 HG21 THR 27 HG21 THR 27 5.573 -9.326 -0.384 184 HG22 THR 27 HG22 THR 27 5.593 -10.129 1.196 185 HG23 THR 27 HG23 THR 27 4.173 -9.214 0.703 186 H THR 28 H THR 28 1.851 -12.811 -0.909 187 HA THR 28 HA THR 28 2.888 -14.645 -2.829 188 HB THR 28 HB THR 28 1.422 -14.832 -0.647 189 HG1 THR 28 HG1 THR 28 1.229 -16.808 -2.662 190 HG21 THR 28 HG21 THR 28 -0.698 -15.436 -2.704 191 HG22 THR 28 HG22 THR 28 -0.739 -14.167 -1.462 192 HG23 THR 28 HG23 THR 28 -0.742 -15.866 -0.984 193 H GLN 29 H GLN 29 0.356 -12.255 -2.994 194 HA GLN 29 HA GLN 29 -0.693 -13.158 -5.585 195 HB2 GLN 29 HB2 GLN 29 -0.949 -10.546 -4.056 196 HB3 GLN 29 HB3 GLN 29 -1.785 -10.892 -5.576 197 HG2 GLN 29 HG2 GLN 29 -2.199 -12.800 -3.257 198 HG3 GLN 29 HG3 GLN 29 -3.109 -11.293 -3.377 199 HE21 GLN 29 HE21 GLN 29 -2.444 -14.428 -5.120 200 HE22 GLN 29 HE22 GLN 29 -3.615 -14.107 -6.359 201 H GLY 30 H GLY 30 2.043 -11.430 -4.594 202 HA2 GLY 30 HA2 GLY 30 3.824 -10.477 -5.593 203 HA3 GLY 30 HA3 GLY 30 3.372 -11.351 -7.071 204 H LEU 31 H LEU 31 1.562 -8.891 -5.336 205 HA LEU 31 HA LEU 31 1.923 -6.929 -7.590 206 HB2 LEU 31 HB2 LEU 31 -0.545 -6.411 -7.209 207 HB3 LEU 31 HB3 LEU 31 -0.131 -7.886 -8.034 208 HG LEU 31 HG LEU 31 -0.547 -9.203 -6.056 209 HD11 LEU 31 HD11 LEU 31 -1.646 -8.256 -4.044 210 HD12 LEU 31 HD12 LEU 31 -1.287 -6.625 -4.644 211 HD13 LEU 31 HD13 LEU 31 0.026 -7.759 -4.219 212 HD21 LEU 31 HD21 LEU 31 -2.950 -8.941 -5.859 213 HD22 LEU 31 HD22 LEU 31 -2.402 -8.826 -7.531 214 HD23 LEU 31 HD23 LEU 31 -2.847 -7.338 -6.644 215 H THR 32 H THR 32 3.114 -7.121 -4.861 216 HA THR 32 HA THR 32 1.934 -4.790 -3.464 217 HB THR 32 HB THR 32 2.453 -6.570 -2.112 218 HG1 THR 32 HG1 THR 32 3.690 -5.753 -0.628 219 HG21 THR 32 HG21 THR 32 5.246 -6.823 -3.182 220 HG22 THR 32 HG22 THR 32 3.910 -7.998 -3.302 221 HG23 THR 32 HG23 THR 32 4.624 -7.636 -1.734 222 H THR 33 H THR 33 2.467 -2.717 -4.065 223 HA THR 33 HA THR 33 5.266 -2.097 -4.524 224 HB THR 33 HB THR 33 4.987 -2.487 -6.698 225 HG1 THR 33 HG1 THR 33 4.989 -0.678 -7.539 226 HG21 THR 33 HG21 THR 33 1.903 -2.233 -6.477 227 HG22 THR 33 HG22 THR 33 2.855 -3.705 -6.708 228 HG23 THR 33 HG23 THR 33 2.786 -2.536 -7.996 229 H ILE 34 H ILE 34 5.628 0.078 -4.198 230 HA ILE 34 HA ILE 34 3.532 1.513 -2.696 231 HB ILE 34 HB ILE 34 6.298 2.584 -3.326 232 HG12 ILE 34 HG12 ILE 34 6.497 0.447 -2.084 233 HG13 ILE 34 HG13 ILE 34 7.027 1.843 -1.182 234 HG21 ILE 34 HG21 ILE 34 4.147 3.325 -1.292 235 HG22 ILE 34 HG22 ILE 34 5.820 3.845 -1.133 236 HG23 ILE 34 HG23 ILE 34 4.858 4.370 -2.540 237 HD11 ILE 34 HD11 ILE 34 4.920 1.871 0.141 238 HD12 ILE 34 HD12 ILE 34 4.347 0.462 -0.777 239 HD13 ILE 34 HD13 ILE 34 5.771 0.368 0.295 240 H TYR 35 H TYR 35 5.353 1.962 -5.607 241 HA TYR 35 HA TYR 35 4.435 4.395 -6.578 242 HB2 TYR 35 HB2 TYR 35 5.641 1.979 -7.971 243 HB3 TYR 35 HB3 TYR 35 5.390 3.543 -8.729 244 HD1 TYR 35 HD1 TYR 35 7.051 2.149 -5.582 245 HD2 TYR 35 HD2 TYR 35 7.151 5.087 -8.756 246 HE1 TYR 35 HE1 TYR 35 9.103 3.047 -4.651 247 HE2 TYR 35 HE2 TYR 35 9.322 5.889 -7.900 248 HH TYR 35 HH TYR 35 11.155 5.198 -6.539 249 H GLN 36 H GLN 36 2.792 1.441 -6.388 250 HA GLN 36 HA GLN 36 0.828 2.246 -8.497 251 HB2 GLN 36 HB2 GLN 36 1.201 -0.348 -6.964 252 HB3 GLN 36 HB3 GLN 36 -0.170 0.018 -8.028 253 HG2 GLN 36 HG2 GLN 36 1.872 0.770 -9.672 254 HG3 GLN 36 HG3 GLN 36 2.646 -0.510 -8.800 255 HE21 GLN 36 HE21 GLN 36 0.399 0.373 -11.250 256 HE22 GLN 36 HE22 GLN 36 -0.061 -1.240 -11.766 257 H ILE 37 H ILE 37 0.920 1.438 -4.913 258 HA ILE 37 HA ILE 37 -1.821 2.071 -4.672 259 HB ILE 37 HB ILE 37 -1.442 2.340 -2.237 260 HG12 ILE 37 HG12 ILE 37 1.391 1.447 -2.824 261 HG13 ILE 37 HG13 ILE 37 0.960 3.086 -2.363 262 HG21 ILE 37 HG21 ILE 37 -2.058 0.228 -3.425 263 HG22 ILE 37 HG22 ILE 37 -0.338 -0.195 -3.490 264 HG23 ILE 37 HG23 ILE 37 -1.174 -0.060 -1.928 265 HD11 ILE 37 HD11 ILE 37 0.508 0.582 -0.664 266 HD12 ILE 37 HD12 ILE 37 1.769 1.804 -0.422 267 HD13 ILE 37 HD13 ILE 37 0.061 2.233 -0.201 268 H GLU 38 H GLU 38 0.829 4.315 -5.079 269 HA GLU 38 HA GLU 38 -0.566 6.531 -3.853 270 HB2 GLU 38 HB2 GLU 38 0.998 7.947 -5.147 271 HB3 GLU 38 HB3 GLU 38 1.800 6.701 -4.186 272 HG2 GLU 38 HG2 GLU 38 2.263 5.363 -6.128 273 HG3 GLU 38 HG3 GLU 38 1.232 6.360 -7.161 274 H HIS 39 H HIS 39 -0.837 4.923 -7.018 275 HA HIS 39 HA HIS 39 -2.698 7.074 -7.915 276 HB2 HIS 39 HB2 HIS 39 -0.712 6.571 -9.319 277 HB3 HIS 39 HB3 HIS 39 -1.363 4.947 -9.590 278 HD1 HIS 39 HD1 HIS 39 -2.972 8.530 -9.860 279 HD2 HIS 39 HD2 HIS 39 -2.499 4.893 -11.951 280 HE1 HIS 39 HE1 HIS 39 -4.282 8.766 -12.010 281 H TYR 40 H TYR 40 -2.619 3.619 -7.071 282 HA TYR 40 HA TYR 40 -5.031 2.921 -8.389 283 HB2 TYR 40 HB2 TYR 40 -3.391 1.721 -6.138 284 HB3 TYR 40 HB3 TYR 40 -5.016 1.134 -6.386 285 HD1 TYR 40 HD1 TYR 40 -2.079 -0.398 -6.767 286 HD2 TYR 40 HD2 TYR 40 -5.147 1.229 -9.460 287 HE1 TYR 40 HE1 TYR 40 -1.724 -2.193 -8.366 288 HE2 TYR 40 HE2 TYR 40 -4.576 -0.456 -11.070 289 HH TYR 40 HH TYR 40 -3.703 -2.534 -11.311 290 H SER 41 H SER 41 -7.150 3.361 -7.977 291 HA SER 41 HA SER 41 -7.730 4.869 -5.497 292 HB2 SER 41 HB2 SER 41 -9.418 4.411 -7.999 293 HB3 SER 41 HB3 SER 41 -9.770 5.554 -6.704 294 HG SER 41 HG SER 41 -7.827 6.707 -7.321 295 H MET 42 H MET 42 -10.130 4.447 -4.818 296 HA MET 42 HA MET 42 -10.194 2.098 -3.368 297 HB2 MET 42 HB2 MET 42 -12.517 2.626 -2.882 298 HB3 MET 42 HB3 MET 42 -11.524 4.066 -2.851 299 HG2 MET 42 HG2 MET 42 -12.315 4.594 -5.189 300 HG3 MET 42 HG3 MET 42 -13.406 3.228 -5.082 301 HE1 MET 42 HE1 MET 42 -13.944 6.593 -5.517 302 HE2 MET 42 HE2 MET 42 -15.067 5.269 -5.885 303 HE3 MET 42 HE3 MET 42 -15.568 6.582 -4.801 304 H ASP 43 H ASP 43 -11.265 2.321 -6.742 305 HA ASP 43 HA ASP 43 -12.935 -0.018 -6.705 306 HB2 ASP 43 HB2 ASP 43 -13.169 1.439 -8.577 307 HB3 ASP 43 HB3 ASP 43 -11.440 1.443 -8.898 308 H ASP 44 H ASP 44 -9.454 0.449 -7.635 309 HA ASP 44 HA ASP 44 -9.066 -2.319 -8.248 310 HB2 ASP 44 HB2 ASP 44 -7.221 -0.022 -7.662 311 HB3 ASP 44 HB3 ASP 44 -6.587 -1.655 -7.436 312 H LEU 45 H LEU 45 -8.732 -0.493 -5.262 313 HA LEU 45 HA LEU 45 -7.534 -2.587 -3.732 314 HB2 LEU 45 HB2 LEU 45 -9.380 -0.453 -2.623 315 HB3 LEU 45 HB3 LEU 45 -8.079 -1.304 -1.769 316 HG LEU 45 HG LEU 45 -7.767 0.692 -4.009 317 HD11 LEU 45 HD11 LEU 45 -6.839 0.967 -1.154 318 HD12 LEU 45 HD12 LEU 45 -8.377 1.632 -1.777 319 HD13 LEU 45 HD13 LEU 45 -6.851 2.158 -2.470 320 HD21 LEU 45 HD21 LEU 45 -5.317 0.496 -3.545 321 HD22 LEU 45 HD22 LEU 45 -6.023 -0.928 -4.298 322 HD23 LEU 45 HD23 LEU 45 -5.703 -0.941 -2.552 323 H ALA 46 H ALA 46 -11.004 -1.705 -4.074 324 HA ALA 46 HA ALA 46 -11.956 -3.867 -2.460 325 HB1 ALA 46 HB1 ALA 46 -13.320 -2.409 -4.763 326 HB2 ALA 46 HB2 ALA 46 -14.117 -3.558 -3.666 327 HB3 ALA 46 HB3 ALA 46 -13.444 -2.066 -3.017 328 H SER 47 H SER 47 -11.437 -3.634 -5.981 329 HA SER 47 HA SER 47 -12.279 -6.176 -6.763 330 HB2 SER 47 HB2 SER 47 -11.739 -4.149 -8.158 331 HB3 SER 47 HB3 SER 47 -10.018 -4.436 -7.865 332 HG SER 47 HG SER 47 -11.723 -5.533 -9.647 333 H LEU 48 H LEU 48 -9.096 -5.130 -5.528 334 HA LEU 48 HA LEU 48 -7.914 -7.765 -5.809 335 HB2 LEU 48 HB2 LEU 48 -6.901 -5.140 -4.681 336 HB3 LEU 48 HB3 LEU 48 -5.908 -6.587 -4.797 337 HG LEU 48 HG LEU 48 -7.279 -5.355 -7.236 338 HD11 LEU 48 HD11 LEU 48 -5.562 -3.841 -6.092 339 HD12 LEU 48 HD12 LEU 48 -5.333 -4.199 -7.805 340 HD13 LEU 48 HD13 LEU 48 -4.353 -5.052 -6.609 341 HD21 LEU 48 HD21 LEU 48 -6.782 -7.628 -7.648 342 HD22 LEU 48 HD22 LEU 48 -5.163 -7.497 -6.899 343 HD23 LEU 48 HD23 LEU 48 -5.515 -6.676 -8.431 344 H LYS 49 H LYS 49 -10.236 -7.376 -3.959 345 HA LYS 49 HA LYS 49 -11.007 -8.308 -2.073 346 HB2 LYS 49 HB2 LYS 49 -8.400 -9.842 -1.841 347 HB3 LYS 49 HB3 LYS 49 -9.872 -10.128 -0.958 348 HG2 LYS 49 HG2 LYS 49 -9.943 -11.748 -2.564 349 HG3 LYS 49 HG3 LYS 49 -11.083 -10.544 -3.131 350 HD2 LYS 49 HD2 LYS 49 -9.804 -11.519 -4.967 351 HD3 LYS 49 HD3 LYS 49 -9.461 -9.803 -4.853 352 HE2 LYS 49 HE2 LYS 49 -7.349 -10.383 -3.557 353 HE3 LYS 49 HE3 LYS 49 -7.715 -12.087 -3.815 354 HZ1 LYS 49 HZ1 LYS 49 -7.083 -10.092 -5.893 355 HZ2 LYS 49 HZ2 LYS 49 -7.596 -11.591 -6.252 356 HZ3 LYS 49 HZ3 LYS 49 -6.182 -11.391 -5.459 357 H ILE 50 H ILE 50 -9.603 -5.689 -1.923 358 HA ILE 50 HA ILE 50 -8.792 -5.737 0.952 359 HB ILE 50 HB ILE 50 -8.404 -3.428 -0.943 360 HG12 ILE 50 HG12 ILE 50 -7.148 -5.236 -2.012 361 HG13 ILE 50 HG13 ILE 50 -6.073 -4.068 -1.278 362 HG21 ILE 50 HG21 ILE 50 -8.258 -3.064 1.506 363 HG22 ILE 50 HG22 ILE 50 -6.956 -4.227 1.574 364 HG23 ILE 50 HG23 ILE 50 -6.740 -2.726 0.646 365 HD11 ILE 50 HD11 ILE 50 -5.699 -5.618 0.655 366 HD12 ILE 50 HD12 ILE 50 -6.804 -6.783 -0.101 367 HD13 ILE 50 HD13 ILE 50 -5.283 -6.336 -0.893 368 HA PRO 51 HA PRO 51 -13.137 -4.151 0.814 369 HB2 PRO 51 HB2 PRO 51 -14.050 -5.075 3.187 370 HB3 PRO 51 HB3 PRO 51 -13.804 -6.180 1.797 371 HG2 PRO 51 HG2 PRO 51 -11.887 -5.660 4.105 372 HG3 PRO 51 HG3 PRO 51 -12.476 -7.241 3.494 373 HD2 PRO 51 HD2 PRO 51 -10.102 -6.189 2.667 374 HD3 PRO 51 HD3 PRO 51 -11.186 -7.091 1.553 375 H GLU 52 H GLU 52 -14.267 -2.499 2.136 376 HA GLU 52 HA GLU 52 -12.752 -0.394 2.999 377 HB2 GLU 52 HB2 GLU 52 -14.776 0.492 4.103 378 HB3 GLU 52 HB3 GLU 52 -14.964 0.005 2.411 379 HG2 GLU 52 HG2 GLU 52 -16.155 -2.013 3.059 380 HG3 GLU 52 HG3 GLU 52 -15.781 -1.735 4.776 381 H GLN 53 H GLN 53 -13.609 -3.146 4.949 382 HA GLN 53 HA GLN 53 -13.310 -2.257 7.552 383 HB2 GLN 53 HB2 GLN 53 -13.950 -4.583 6.638 384 HB3 GLN 53 HB3 GLN 53 -12.228 -4.864 6.402 385 HG2 GLN 53 HG2 GLN 53 -11.978 -4.348 8.934 386 HG3 GLN 53 HG3 GLN 53 -13.737 -4.440 9.008 387 HE21 GLN 53 HE21 GLN 53 -14.075 -6.387 10.102 388 HE22 GLN 53 HE22 GLN 53 -13.288 -7.903 9.689 389 H PHE 54 H PHE 54 -10.807 -2.894 5.119 390 HA PHE 54 HA PHE 54 -8.667 -1.906 6.993 391 HB2 PHE 54 HB2 PHE 54 -8.404 -4.255 6.765 392 HB3 PHE 54 HB3 PHE 54 -8.680 -4.200 5.024 393 HD1 PHE 54 HD1 PHE 54 -7.006 -3.489 3.499 394 HD2 PHE 54 HD2 PHE 54 -6.235 -3.383 7.707 395 HE1 PHE 54 HE1 PHE 54 -4.543 -3.257 3.036 396 HE2 PHE 54 HE2 PHE 54 -3.818 -3.142 7.283 397 HZ PHE 54 HZ PHE 54 -2.953 -3.086 4.961 398 H ARG 55 H ARG 55 -9.829 -2.098 3.638 399 HA ARG 55 HA ARG 55 -7.935 -0.810 2.178 400 HB2 ARG 55 HB2 ARG 55 -9.997 -1.886 1.470 401 HB3 ARG 55 HB3 ARG 55 -10.939 -0.504 1.973 402 HG2 ARG 55 HG2 ARG 55 -8.726 0.123 0.078 403 HG3 ARG 55 HG3 ARG 55 -9.945 -1.017 -0.508 404 HD2 ARG 55 HD2 ARG 55 -10.793 0.995 -1.247 405 HD3 ARG 55 HD3 ARG 55 -11.719 0.594 0.196 406 HE ARG 55 HE ARG 55 -9.462 2.354 0.734 407 HH11 ARG 55 HH11 ARG 55 -12.921 2.200 -0.205 408 HH12 ARG 55 HH12 ARG 55 -13.191 3.878 -0.059 409 HH21 ARG 55 HH21 ARG 55 -9.969 4.666 1.229 410 HH22 ARG 55 HH22 ARG 55 -11.499 5.268 0.759 411 H HIS 56 H HIS 56 -10.337 0.825 4.287 412 HA HIS 56 HA HIS 56 -9.686 3.430 3.182 413 HB2 HIS 56 HB2 HIS 56 -11.047 2.619 5.786 414 HB3 HIS 56 HB3 HIS 56 -10.820 4.275 5.276 415 HD1 HIS 56 HD1 HIS 56 -13.430 4.727 5.188 416 HD2 HIS 56 HD2 HIS 56 -12.051 1.653 2.659 417 HE1 HIS 56 HE1 HIS 56 -15.308 4.229 3.554 418 H ALA 57 H ALA 57 -8.321 1.366 5.760 419 HA ALA 57 HA ALA 57 -6.816 3.478 6.985 420 HB1 ALA 57 HB1 ALA 57 -5.789 1.700 8.238 421 HB2 ALA 57 HB2 ALA 57 -7.510 1.305 8.075 422 HB3 ALA 57 HB3 ALA 57 -6.298 0.482 7.059 423 H ILE 58 H ILE 58 -5.928 0.830 4.640 424 HA ILE 58 HA ILE 58 -3.215 1.586 4.437 425 HB ILE 58 HB ILE 58 -3.669 -0.508 3.574 426 HG12 ILE 58 HG12 ILE 58 -3.278 -0.522 1.169 427 HG13 ILE 58 HG13 ILE 58 -3.744 1.155 1.005 428 HG21 ILE 58 HG21 ILE 58 -5.315 -1.160 1.922 429 HG22 ILE 58 HG22 ILE 58 -6.084 -0.453 3.327 430 HG23 ILE 58 HG23 ILE 58 -5.919 0.492 1.805 431 HD11 ILE 58 HD11 ILE 58 -1.665 1.898 1.587 432 HD12 ILE 58 HD12 ILE 58 -1.495 0.710 2.889 433 HD13 ILE 58 HD13 ILE 58 -1.156 0.252 1.207 434 H TRP 59 H TRP 59 -6.042 2.440 2.392 435 HA TRP 59 HA TRP 59 -4.517 4.088 0.689 436 HB2 TRP 59 HB2 TRP 59 -6.878 3.137 0.386 437 HB3 TRP 59 HB3 TRP 59 -7.449 4.558 1.282 438 HD1 TRP 59 HD1 TRP 59 -5.476 3.547 -1.826 439 HE1 TRP 59 HE1 TRP 59 -5.716 5.334 -3.661 440 HE3 TRP 59 HE3 TRP 59 -7.771 7.065 0.966 441 HZ2 TRP 59 HZ2 TRP 59 -6.569 8.154 -3.742 442 HZ3 TRP 59 HZ3 TRP 59 -8.216 9.370 0.042 443 HH2 TRP 59 HH2 TRP 59 -7.623 9.890 -2.301 444 H LYS 60 H LYS 60 -6.369 4.987 3.665 445 HA LYS 60 HA LYS 60 -5.768 7.753 3.493 446 HB2 LYS 60 HB2 LYS 60 -7.453 6.768 5.030 447 HB3 LYS 60 HB3 LYS 60 -6.155 6.016 5.982 448 HG2 LYS 60 HG2 LYS 60 -5.296 8.337 6.504 449 HG3 LYS 60 HG3 LYS 60 -6.649 8.991 5.556 450 HD2 LYS 60 HD2 LYS 60 -7.474 9.119 7.727 451 HD3 LYS 60 HD3 LYS 60 -8.179 7.641 7.126 452 HE2 LYS 60 HE2 LYS 60 -7.461 7.126 9.298 453 HE3 LYS 60 HE3 LYS 60 -6.270 6.355 8.251 454 HZ1 LYS 60 HZ1 LYS 60 -5.451 7.590 10.254 455 HZ2 LYS 60 HZ2 LYS 60 -5.842 8.999 9.542 456 HZ3 LYS 60 HZ3 LYS 60 -4.683 8.019 8.879 457 H GLY 61 H GLY 61 -3.873 5.002 4.890 458 HA2 GLY 61 HA2 GLY 61 -1.922 6.551 6.186 459 HA3 GLY 61 HA3 GLY 61 -1.710 4.912 5.577 460 H ILE 62 H ILE 62 -1.695 5.025 2.908 461 HA ILE 62 HA ILE 62 0.840 6.264 2.481 462 HB ILE 62 HB ILE 62 -0.072 4.211 1.506 463 HG12 ILE 62 HG12 ILE 62 1.192 4.546 -0.730 464 HG13 ILE 62 HG13 ILE 62 1.387 6.223 -0.254 465 HG21 ILE 62 HG21 ILE 62 -2.207 5.048 0.560 466 HG22 ILE 62 HG22 ILE 62 -1.275 5.925 -0.678 467 HG23 ILE 62 HG23 ILE 62 -1.233 4.165 -0.628 468 HD11 ILE 62 HD11 ILE 62 2.396 3.786 1.290 469 HD12 ILE 62 HD12 ILE 62 3.375 4.871 0.283 470 HD13 ILE 62 HD13 ILE 62 2.660 5.478 1.772 471 H LEU 63 H LEU 63 -2.432 7.258 1.611 472 HA LEU 63 HA LEU 63 -1.516 9.458 -0.004 473 HB2 LEU 63 HB2 LEU 63 -4.159 8.756 1.250 474 HB3 LEU 63 HB3 LEU 63 -3.874 10.430 0.864 475 HG LEU 63 HG LEU 63 -5.026 9.295 -0.941 476 HD11 LEU 63 HD11 LEU 63 -3.435 11.214 -1.365 477 HD12 LEU 63 HD12 LEU 63 -3.812 10.184 -2.767 478 HD13 LEU 63 HD13 LEU 63 -2.249 9.998 -1.930 479 HD21 LEU 63 HD21 LEU 63 -3.936 7.663 -2.403 480 HD22 LEU 63 HD22 LEU 63 -4.017 7.027 -0.753 481 HD23 LEU 63 HD23 LEU 63 -2.491 7.670 -1.394 482 H ASP 64 H ASP 64 -1.852 8.930 3.428 483 HA ASP 64 HA ASP 64 -1.661 11.759 4.067 484 HB2 ASP 64 HB2 ASP 64 -1.857 11.313 6.202 485 HB3 ASP 64 HB3 ASP 64 -2.485 9.819 5.623 486 H HIS 65 H HIS 65 0.562 9.152 3.784 487 HA HIS 65 HA HIS 65 2.945 10.389 4.706 488 HB2 HIS 65 HB2 HIS 65 2.780 7.955 4.401 489 HB3 HIS 65 HB3 HIS 65 2.444 8.153 2.699 490 HD1 HIS 65 HD1 HIS 65 5.466 9.492 4.814 491 HD2 HIS 65 HD2 HIS 65 4.415 7.422 1.278 492 HE1 HIS 65 HE1 HIS 65 7.650 8.947 3.617 493 H ARG 66 H ARG 66 1.599 9.983 1.380 494 HA ARG 66 HA ARG 66 3.664 11.762 0.351 495 HB2 ARG 66 HB2 ARG 66 2.784 11.547 -1.779 496 HB3 ARG 66 HB3 ARG 66 2.587 9.986 -1.008 497 HG2 ARG 66 HG2 ARG 66 0.637 10.288 -2.223 498 HG3 ARG 66 HG3 ARG 66 0.145 10.653 -0.569 499 HD2 ARG 66 HD2 ARG 66 -0.031 12.984 -1.025 500 HD3 ARG 66 HD3 ARG 66 1.032 12.853 -2.428 501 HE ARG 66 HE ARG 66 -1.759 11.829 -2.268 502 HH11 ARG 66 HH11 ARG 66 0.607 13.742 -4.094 503 HH12 ARG 66 HH12 ARG 66 -0.221 13.600 -5.606 504 HH21 ARG 66 HH21 ARG 66 -2.845 11.592 -4.278 505 HH22 ARG 66 HH22 ARG 66 -2.200 12.302 -5.705 506 H GLN 67 H GLN 67 0.573 12.412 1.905 507 HA GLN 67 HA GLN 67 0.441 15.108 0.770 508 HB2 GLN 67 HB2 GLN 67 -1.596 13.952 1.304 509 HB3 GLN 67 HB3 GLN 67 -1.071 13.651 2.964 510 HG2 GLN 67 HG2 GLN 67 -1.261 15.982 3.518 511 HG3 GLN 67 HG3 GLN 67 -1.536 16.409 1.826 512 HE21 GLN 67 HE21 GLN 67 -2.983 13.947 4.065 513 HE22 GLN 67 HE22 GLN 67 -4.648 14.376 3.685 514 H LEU 68 H LEU 68 2.172 13.553 3.393 515 HA LEU 68 HA LEU 68 2.850 16.209 4.542 516 HB2 LEU 68 HB2 LEU 68 2.797 13.447 5.790 517 HB3 LEU 68 HB3 LEU 68 3.357 14.889 6.627 518 HG LEU 68 HG LEU 68 0.555 14.642 5.507 519 HD11 LEU 68 HD11 LEU 68 -0.133 14.142 7.877 520 HD12 LEU 68 HD12 LEU 68 1.582 13.951 8.273 521 HD13 LEU 68 HD13 LEU 68 0.830 12.853 7.111 522 HD21 LEU 68 HD21 LEU 68 -0.049 16.445 6.982 523 HD22 LEU 68 HD22 LEU 68 1.320 16.957 5.991 524 HD23 LEU 68 HD23 LEU 68 1.579 16.477 7.683 525 H HIS 69 H HIS 69 4.228 13.920 2.481 526 HA HIS 69 HA HIS 69 6.944 14.743 3.343 527 HB2 HIS 69 HB2 HIS 69 5.902 12.212 3.849 528 HB3 HIS 69 HB3 HIS 69 6.686 11.961 2.303 529 HD1 HIS 69 HD1 HIS 69 9.535 12.418 2.418 530 HD2 HIS 69 HD2 HIS 69 7.249 12.306 5.986 531 HE1 HIS 69 HE1 HIS 69 11.149 12.026 4.322 532 H ASP 70 H ASP 70 8.499 13.743 1.590 533 HA ASP 70 HA ASP 70 7.707 13.950 -1.164 534 HB2 ASP 70 HB2 ASP 70 9.193 15.687 -1.742 535 HB3 ASP 70 HB3 ASP 70 8.232 16.338 -0.412 Start of MODEL 17 1 H1 GLY 1 H GLY 1 27.933 6.942 -4.295 2 HA2 GLY 1 HA2 GLY 1 26.267 8.003 -5.727 3 HA3 GLY 1 HA3 GLY 1 26.408 6.611 -6.822 4 HA PRO 2 HA PRO 2 23.061 5.849 -3.654 5 HB2 PRO 2 HB2 PRO 2 21.013 5.191 -5.350 6 HB3 PRO 2 HB3 PRO 2 21.427 6.876 -4.907 7 HG2 PRO 2 HG2 PRO 2 22.247 5.355 -7.396 8 HG3 PRO 2 HG3 PRO 2 21.578 7.008 -7.279 9 HD2 PRO 2 HD2 PRO 2 24.268 6.545 -7.489 10 HD3 PRO 2 HD3 PRO 2 23.629 7.886 -6.499 11 H LEU 3 H LEU 3 24.017 4.016 -2.844 12 HA LEU 3 HA LEU 3 24.719 1.696 -4.359 13 HB2 LEU 3 HB2 LEU 3 25.748 2.232 -2.196 14 HB3 LEU 3 HB3 LEU 3 24.191 2.079 -1.380 15 HG LEU 3 HG LEU 3 24.122 -0.339 -1.868 16 HD11 LEU 3 HD11 LEU 3 26.127 -1.483 -2.771 17 HD12 LEU 3 HD12 LEU 3 26.873 0.093 -3.125 18 HD13 LEU 3 HD13 LEU 3 25.406 -0.429 -3.981 19 HD21 LEU 3 HD21 LEU 3 25.185 0.441 0.205 20 HD22 LEU 3 HD22 LEU 3 26.755 0.526 -0.621 21 HD23 LEU 3 HD23 LEU 3 25.943 -1.042 -0.392 22 H GLY 4 H GLY 4 21.712 2.782 -2.921 23 HA2 GLY 4 HA2 GLY 4 20.296 0.295 -2.794 24 HA3 GLY 4 HA3 GLY 4 19.606 1.922 -2.825 25 H SER 5 H SER 5 20.703 -0.779 -4.834 26 HA SER 5 HA SER 5 19.939 0.445 -7.367 27 HB2 SER 5 HB2 SER 5 21.874 -1.105 -7.090 28 HB3 SER 5 HB3 SER 5 20.759 -2.405 -6.640 29 HG SER 5 HG SER 5 19.741 -2.059 -8.697 30 H THR 6 H THR 6 17.931 0.038 -5.113 31 HA THR 6 HA THR 6 15.698 -1.145 -6.567 32 HB THR 6 HB THR 6 15.056 -1.959 -4.122 33 HG1 THR 6 HG1 THR 6 16.873 -1.287 -3.035 34 HG21 THR 6 HG21 THR 6 15.255 -3.471 -6.044 35 HG22 THR 6 HG22 THR 6 15.881 -4.203 -4.554 36 HG23 THR 6 HG23 THR 6 17.007 -3.559 -5.764 37 H ASP 7 H ASP 7 13.663 -0.112 -5.668 38 HA ASP 7 HA ASP 7 14.277 2.550 -4.454 39 HB2 ASP 7 HB2 ASP 7 11.791 1.588 -5.912 40 HB3 ASP 7 HB3 ASP 7 12.012 3.153 -5.129 41 H CYS 8 H CYS 8 11.162 0.965 -4.187 42 HA CYS 8 HA CYS 8 11.620 0.021 -1.426 43 HB2 CYS 8 HB2 CYS 8 9.393 1.896 -2.277 44 HB3 CYS 8 HB3 CYS 8 9.649 1.287 -0.654 45 HG CYS 8 HG CYS 8 10.290 3.951 -1.647 46 H SER 9 H SER 9 9.182 -0.726 -0.720 47 HA SER 9 HA SER 9 7.547 -1.914 -2.733 48 HB2 SER 9 HB2 SER 9 9.086 -3.706 -2.825 49 HB3 SER 9 HB3 SER 9 9.462 -3.621 -1.099 50 HG SER 9 HG SER 9 7.915 -5.333 -1.979 51 H ILE 10 H ILE 10 5.606 -2.639 -1.657 52 HA ILE 10 HA ILE 10 4.814 -1.021 0.517 53 HB ILE 10 HB ILE 10 3.671 -2.919 -1.311 54 HG12 ILE 10 HG12 ILE 10 3.003 -0.632 -1.325 55 HG13 ILE 10 HG13 ILE 10 1.606 -1.668 -1.022 56 HG21 ILE 10 HG21 ILE 10 2.350 -3.204 1.386 57 HG22 ILE 10 HG22 ILE 10 1.809 -3.883 -0.157 58 HG23 ILE 10 HG23 ILE 10 3.300 -4.440 0.608 59 HD11 ILE 10 HD11 ILE 10 2.872 0.406 0.687 60 HD12 ILE 10 HD12 ILE 10 1.192 -0.166 0.678 61 HD13 ILE 10 HD13 ILE 10 2.403 -1.064 1.562 62 H VAL 11 H VAL 11 6.546 -3.997 0.516 63 HA VAL 11 HA VAL 11 5.715 -5.187 2.923 64 HB VAL 11 HB VAL 11 8.032 -5.994 3.165 65 HG11 VAL 11 HG11 VAL 11 8.008 -7.394 1.112 66 HG12 VAL 11 HG12 VAL 11 6.392 -7.221 1.800 67 HG13 VAL 11 HG13 VAL 11 6.856 -6.281 0.358 68 HG21 VAL 11 HG21 VAL 11 9.517 -4.363 2.391 69 HG22 VAL 11 HG22 VAL 11 9.622 -5.647 1.204 70 HG23 VAL 11 HG23 VAL 11 8.683 -4.194 0.840 71 H SER 12 H SER 12 8.140 -2.594 2.512 72 HA SER 12 HA SER 12 8.778 -2.222 5.248 73 HB2 SER 12 HB2 SER 12 8.741 -0.293 2.871 74 HB3 SER 12 HB3 SER 12 9.699 -0.100 4.362 75 HG SER 12 HG SER 12 10.659 -2.177 3.783 76 H PHE 13 H PHE 13 6.293 -0.768 3.101 77 HA PHE 13 HA PHE 13 5.480 1.197 5.025 78 HB2 PHE 13 HB2 PHE 13 5.078 1.276 2.567 79 HB3 PHE 13 HB3 PHE 13 3.923 -0.042 2.749 80 HD1 PHE 13 HD1 PHE 13 1.635 0.528 3.066 81 HD2 PHE 13 HD2 PHE 13 4.723 3.381 4.067 82 HE1 PHE 13 HE1 PHE 13 -0.091 2.275 3.374 83 HE2 PHE 13 HE2 PHE 13 2.967 5.111 4.451 84 HZ PHE 13 HZ PHE 13 0.597 4.508 4.224 85 H PHE 14 H PHE 14 4.128 -2.022 4.155 86 HA PHE 14 HA PHE 14 2.064 -2.036 6.084 87 HB2 PHE 14 HB2 PHE 14 3.591 -4.197 4.597 88 HB3 PHE 14 HB3 PHE 14 2.371 -4.608 5.776 89 HD1 PHE 14 HD1 PHE 14 1.508 -5.804 3.680 90 HD2 PHE 14 HD2 PHE 14 1.362 -1.521 4.123 91 HE1 PHE 14 HE1 PHE 14 -0.223 -5.668 1.908 92 HE2 PHE 14 HE2 PHE 14 -0.319 -1.360 2.417 93 HZ PHE 14 HZ PHE 14 -1.106 -3.489 1.220 94 H ALA 15 H ALA 15 5.476 -3.046 6.345 95 HA ALA 15 HA ALA 15 5.310 -4.184 8.922 96 HB1 ALA 15 HB1 ALA 15 7.634 -2.577 7.763 97 HB2 ALA 15 HB2 ALA 15 7.690 -3.750 9.093 98 HB3 ALA 15 HB3 ALA 15 7.325 -4.300 7.449 99 H ARG 16 H ARG 16 5.770 -0.713 7.893 100 HA ARG 16 HA ARG 16 5.901 0.230 10.619 101 HB2 ARG 16 HB2 ARG 16 5.061 1.691 8.077 102 HB3 ARG 16 HB3 ARG 16 5.253 2.439 9.664 103 HG2 ARG 16 HG2 ARG 16 7.677 1.306 9.514 104 HG3 ARG 16 HG3 ARG 16 7.360 1.407 7.783 105 HD2 ARG 16 HD2 ARG 16 7.378 3.636 9.839 106 HD3 ARG 16 HD3 ARG 16 8.543 3.394 8.520 107 HE ARG 16 HE ARG 16 5.730 3.868 7.735 108 HH11 ARG 16 HH11 ARG 16 8.779 5.586 8.538 109 HH12 ARG 16 HH12 ARG 16 8.353 6.949 7.564 110 HH21 ARG 16 HH21 ARG 16 5.179 5.677 6.655 111 HH22 ARG 16 HH22 ARG 16 6.191 7.099 6.663 112 H LEU 17 H LEU 17 3.127 -0.123 8.324 113 HA LEU 17 HA LEU 17 1.236 1.099 10.052 114 HB2 LEU 17 HB2 LEU 17 0.754 -1.093 8.001 115 HB3 LEU 17 HB3 LEU 17 -0.473 -0.125 8.798 116 HG LEU 17 HG LEU 17 1.535 0.782 6.726 117 HD11 LEU 17 HD11 LEU 17 -0.513 -0.323 5.917 118 HD12 LEU 17 HD12 LEU 17 -0.470 1.392 5.469 119 HD13 LEU 17 HD13 LEU 17 -1.502 0.886 6.797 120 HD21 LEU 17 HD21 LEU 17 0.565 3.062 6.873 121 HD22 LEU 17 HD22 LEU 17 1.458 2.623 8.334 122 HD23 LEU 17 HD23 LEU 17 -0.315 2.583 8.340 123 H GLY 18 H GLY 18 2.606 -2.195 10.127 124 HA2 GLY 18 HA2 GLY 18 2.723 -3.435 12.036 125 HA3 GLY 18 HA3 GLY 18 1.273 -2.657 12.703 126 H CYS 19 H CYS 19 0.933 -3.340 9.380 127 HA CYS 19 HA CYS 19 -0.930 -5.406 10.046 128 HB2 CYS 19 HB2 CYS 19 -1.801 -5.072 7.782 129 HB3 CYS 19 HB3 CYS 19 -1.607 -3.540 8.666 130 HG CYS 19 HG CYS 19 0.887 -4.607 6.951 131 H SER 20 H SER 20 -0.699 -7.601 9.649 132 HA SER 20 HA SER 20 1.761 -8.426 8.201 133 HB2 SER 20 HB2 SER 20 0.624 -9.790 10.609 134 HB3 SER 20 HB3 SER 20 2.088 -10.241 9.726 135 HG SER 20 HG SER 20 2.326 -8.906 11.698 136 H SER 21 H SER 21 -1.618 -9.678 9.071 137 HA SER 21 HA SER 21 -1.411 -11.881 7.333 138 HB2 SER 21 HB2 SER 21 -3.933 -10.220 7.622 139 HB3 SER 21 HB3 SER 21 -3.792 -11.961 7.371 140 HG SER 21 HG SER 21 -2.894 -12.102 9.489 141 H CYS 22 H CYS 22 -2.148 -8.466 6.634 142 HA CYS 22 HA CYS 22 -2.935 -8.983 3.917 143 HB2 CYS 22 HB2 CYS 22 -2.109 -6.399 5.315 144 HB3 CYS 22 HB3 CYS 22 -2.805 -6.515 3.678 145 HG CYS 22 HG CYS 22 -5.043 -7.349 4.182 146 H LEU 23 H LEU 23 0.238 -8.336 5.468 147 HA LEU 23 HA LEU 23 1.523 -7.847 2.937 148 HB2 LEU 23 HB2 LEU 23 3.390 -7.472 4.139 149 HB3 LEU 23 HB3 LEU 23 2.272 -7.384 5.470 150 HG LEU 23 HG LEU 23 2.827 -9.973 5.749 151 HD11 LEU 23 HD11 LEU 23 4.178 -10.321 3.731 152 HD12 LEU 23 HD12 LEU 23 5.223 -10.419 5.126 153 HD13 LEU 23 HD13 LEU 23 5.211 -8.939 4.144 154 HD21 LEU 23 HD21 LEU 23 5.065 -8.142 6.532 155 HD22 LEU 23 HD22 LEU 23 4.335 -9.500 7.398 156 HD23 LEU 23 HD23 LEU 23 3.472 -7.958 7.247 157 H ASP 24 H ASP 24 0.863 -10.739 4.938 158 HA ASP 24 HA ASP 24 2.322 -12.640 3.437 159 HB2 ASP 24 HB2 ASP 24 1.414 -13.087 5.641 160 HB3 ASP 24 HB3 ASP 24 -0.232 -12.898 5.070 161 H TYR 25 H TYR 25 -1.145 -11.693 3.178 162 HA TYR 25 HA TYR 25 -1.645 -13.238 0.864 163 HB2 TYR 25 HB2 TYR 25 -3.007 -10.627 1.577 164 HB3 TYR 25 HB3 TYR 25 -3.655 -11.918 0.582 165 HD1 TYR 25 HD1 TYR 25 -4.653 -10.472 3.270 166 HD2 TYR 25 HD2 TYR 25 -2.878 -14.319 2.409 167 HE1 TYR 25 HE1 TYR 25 -5.632 -11.396 5.343 168 HE2 TYR 25 HE2 TYR 25 -3.836 -15.228 4.469 169 HH TYR 25 HH TYR 25 -5.793 -14.665 6.156 170 H PHE 26 H PHE 26 -0.698 -9.726 1.066 171 HA PHE 26 HA PHE 26 -0.729 -9.262 -1.713 172 HB2 PHE 26 HB2 PHE 26 0.442 -7.930 0.688 173 HB3 PHE 26 HB3 PHE 26 1.275 -7.631 -0.772 174 HD1 PHE 26 HD1 PHE 26 0.385 -6.287 -2.586 175 HD2 PHE 26 HD2 PHE 26 -2.079 -7.311 0.815 176 HE1 PHE 26 HE1 PHE 26 -1.204 -4.570 -3.238 177 HE2 PHE 26 HE2 PHE 26 -3.690 -5.580 0.144 178 HZ PHE 26 HZ PHE 26 -3.266 -4.193 -1.868 179 H THR 27 H THR 27 1.981 -10.425 0.335 180 HA THR 27 HA THR 27 3.858 -10.333 -1.839 181 HB THR 27 HB THR 27 5.243 -11.867 -0.356 182 HG1 THR 27 HG1 THR 27 3.106 -11.447 1.478 183 HG21 THR 27 HG21 THR 27 5.737 -10.222 1.367 184 HG22 THR 27 HG22 THR 27 4.204 -9.397 1.082 185 HG23 THR 27 HG23 THR 27 5.467 -9.400 -0.174 186 H THR 28 H THR 28 1.787 -12.991 -0.500 187 HA THR 28 HA THR 28 2.710 -14.905 -2.353 188 HB THR 28 HB THR 28 0.121 -14.569 -0.801 189 HG1 THR 28 HG1 THR 28 2.330 -16.339 -0.569 190 HG21 THR 28 HG21 THR 28 0.970 -16.849 -2.614 191 HG22 THR 28 HG22 THR 28 -0.563 -15.960 -2.600 192 HG23 THR 28 HG23 THR 28 -0.178 -17.077 -1.281 193 H GLN 29 H GLN 29 0.018 -12.407 -2.714 194 HA GLN 29 HA GLN 29 -0.827 -13.457 -5.215 195 HB2 GLN 29 HB2 GLN 29 -0.934 -10.670 -4.025 196 HB3 GLN 29 HB3 GLN 29 -1.826 -11.190 -5.461 197 HG2 GLN 29 HG2 GLN 29 -2.299 -12.696 -2.900 198 HG3 GLN 29 HG3 GLN 29 -3.005 -11.093 -3.103 199 HE21 GLN 29 HE21 GLN 29 -4.835 -10.846 -4.562 200 HE22 GLN 29 HE22 GLN 29 -5.455 -12.222 -5.455 201 H GLY 30 H GLY 30 1.829 -11.325 -4.233 202 HA2 GLY 30 HA2 GLY 30 3.778 -10.834 -5.384 203 HA3 GLY 30 HA3 GLY 30 3.131 -11.641 -6.816 204 H LEU 31 H LEU 31 1.357 -9.158 -5.136 205 HA LEU 31 HA LEU 31 1.851 -7.216 -7.388 206 HB2 LEU 31 HB2 LEU 31 -0.625 -6.624 -7.059 207 HB3 LEU 31 HB3 LEU 31 -0.193 -8.091 -7.927 208 HG LEU 31 HG LEU 31 -0.695 -9.450 -6.007 209 HD11 LEU 31 HD11 LEU 31 -0.210 -8.047 -4.103 210 HD12 LEU 31 HD12 LEU 31 -1.924 -8.468 -4.026 211 HD13 LEU 31 HD13 LEU 31 -1.439 -6.866 -4.619 212 HD21 LEU 31 HD21 LEU 31 -2.481 -8.992 -7.595 213 HD22 LEU 31 HD22 LEU 31 -3.001 -7.597 -6.619 214 HD23 LEU 31 HD23 LEU 31 -3.097 -9.251 -5.954 215 H THR 32 H THR 32 3.106 -7.282 -4.739 216 HA THR 32 HA THR 32 1.918 -4.974 -3.294 217 HB THR 32 HB THR 32 2.582 -6.625 -1.874 218 HG1 THR 32 HG1 THR 32 4.037 -5.850 -0.648 219 HG21 THR 32 HG21 THR 32 3.745 -8.242 -3.216 220 HG22 THR 32 HG22 THR 32 4.725 -7.853 -1.807 221 HG23 THR 32 HG23 THR 32 5.151 -7.146 -3.374 222 H THR 33 H THR 33 2.357 -2.860 -4.021 223 HA THR 33 HA THR 33 5.136 -2.226 -4.489 224 HB THR 33 HB THR 33 4.848 -2.702 -6.674 225 HG1 THR 33 HG1 THR 33 4.970 -0.846 -7.406 226 HG21 THR 33 HG21 THR 33 2.752 -3.922 -6.657 227 HG22 THR 33 HG22 THR 33 2.655 -2.772 -7.961 228 HG23 THR 33 HG23 THR 33 1.777 -2.476 -6.438 229 H ILE 34 H ILE 34 5.436 0.023 -4.346 230 HA ILE 34 HA ILE 34 3.380 1.401 -2.763 231 HB ILE 34 HB ILE 34 6.023 2.657 -3.489 232 HG12 ILE 34 HG12 ILE 34 5.458 0.433 -1.549 233 HG13 ILE 34 HG13 ILE 34 6.907 0.784 -2.514 234 HG21 ILE 34 HG21 ILE 34 4.145 4.034 -2.503 235 HG22 ILE 34 HG22 ILE 34 4.174 2.955 -1.090 236 HG23 ILE 34 HG23 ILE 34 5.576 3.975 -1.484 237 HD11 ILE 34 HD11 ILE 34 7.426 1.045 -0.164 238 HD12 ILE 34 HD12 ILE 34 7.405 2.659 -0.873 239 HD13 ILE 34 HD13 ILE 34 6.035 2.087 0.113 240 H TYR 35 H TYR 35 5.158 2.068 -5.772 241 HA TYR 35 HA TYR 35 3.922 4.452 -6.518 242 HB2 TYR 35 HB2 TYR 35 5.050 2.240 -8.283 243 HB3 TYR 35 HB3 TYR 35 4.831 3.934 -8.735 244 HD1 TYR 35 HD1 TYR 35 6.886 1.556 -6.775 245 HD2 TYR 35 HD2 TYR 35 6.269 5.711 -7.805 246 HE1 TYR 35 HE1 TYR 35 8.962 2.161 -5.583 247 HE2 TYR 35 HE2 TYR 35 8.391 6.301 -6.712 248 HH TYR 35 HH TYR 35 10.120 5.567 -5.386 249 H GLN 36 H GLN 36 2.842 1.133 -6.856 250 HA GLN 36 HA GLN 36 0.810 1.824 -8.842 251 HB2 GLN 36 HB2 GLN 36 1.268 -0.626 -7.116 252 HB3 GLN 36 HB3 GLN 36 -0.099 -0.472 -8.196 253 HG2 GLN 36 HG2 GLN 36 2.773 -0.755 -8.990 254 HG3 GLN 36 HG3 GLN 36 1.373 -1.678 -9.523 255 HE21 GLN 36 HE21 GLN 36 3.653 0.344 -10.632 256 HE22 GLN 36 HE22 GLN 36 2.734 1.276 -11.803 257 H ILE 37 H ILE 37 0.620 1.097 -5.282 258 HA ILE 37 HA ILE 37 -2.141 1.779 -5.186 259 HB ILE 37 HB ILE 37 -1.897 1.820 -2.780 260 HG12 ILE 37 HG12 ILE 37 1.081 1.462 -3.282 261 HG13 ILE 37 HG13 ILE 37 0.346 2.985 -2.767 262 HG21 ILE 37 HG21 ILE 37 -0.237 -0.453 -3.965 263 HG22 ILE 37 HG22 ILE 37 -1.300 -0.519 -2.558 264 HG23 ILE 37 HG23 ILE 37 -1.984 -0.318 -4.188 265 HD11 ILE 37 HD11 ILE 37 -0.424 1.878 -0.693 266 HD12 ILE 37 HD12 ILE 37 0.367 0.382 -1.274 267 HD13 ILE 37 HD13 ILE 37 1.348 1.811 -0.915 268 H GLU 38 H GLU 38 0.576 3.878 -5.539 269 HA GLU 38 HA GLU 38 -0.548 6.169 -4.231 270 HB2 GLU 38 HB2 GLU 38 1.884 5.627 -5.189 271 HB3 GLU 38 HB3 GLU 38 1.276 6.377 -6.644 272 HG2 GLU 38 HG2 GLU 38 1.421 7.623 -3.861 273 HG3 GLU 38 HG3 GLU 38 2.568 7.894 -5.160 274 H HIS 39 H HIS 39 -1.125 4.560 -7.334 275 HA HIS 39 HA HIS 39 -3.012 6.747 -8.065 276 HB2 HIS 39 HB2 HIS 39 -2.556 6.592 -10.232 277 HB3 HIS 39 HB3 HIS 39 -0.975 6.172 -9.611 278 HD1 HIS 39 HD1 HIS 39 -1.143 3.039 -9.263 279 HD2 HIS 39 HD2 HIS 39 -3.294 5.193 -12.161 280 HE1 HIS 39 HE1 HIS 39 -1.752 1.378 -11.064 281 H TYR 40 H TYR 40 -2.787 3.295 -7.364 282 HA TYR 40 HA TYR 40 -5.339 2.648 -8.537 283 HB2 TYR 40 HB2 TYR 40 -3.589 1.189 -6.512 284 HB3 TYR 40 HB3 TYR 40 -5.212 0.651 -6.882 285 HD1 TYR 40 HD1 TYR 40 -2.116 -0.630 -7.508 286 HD2 TYR 40 HD2 TYR 40 -5.518 0.956 -9.748 287 HE1 TYR 40 HE1 TYR 40 -1.443 -1.854 -9.519 288 HE2 TYR 40 HE2 TYR 40 -4.779 -0.238 -11.717 289 HH TYR 40 HH TYR 40 -2.961 -1.376 -12.700 290 H SER 41 H SER 41 -7.075 3.759 -7.927 291 HA SER 41 HA SER 41 -7.213 5.081 -5.373 292 HB2 SER 41 HB2 SER 41 -9.508 4.637 -7.320 293 HB3 SER 41 HB3 SER 41 -9.308 5.950 -6.154 294 HG SER 41 HG SER 41 -7.322 6.460 -7.421 295 H MET 42 H MET 42 -9.365 4.940 -4.158 296 HA MET 42 HA MET 42 -9.409 2.679 -2.607 297 HB2 MET 42 HB2 MET 42 -11.475 3.564 -1.683 298 HB3 MET 42 HB3 MET 42 -10.305 4.842 -1.950 299 HG2 MET 42 HG2 MET 42 -11.543 5.626 -3.890 300 HG3 MET 42 HG3 MET 42 -12.629 4.230 -3.820 301 HE1 MET 42 HE1 MET 42 -13.564 7.308 -3.987 302 HE2 MET 42 HE2 MET 42 -14.642 5.892 -4.038 303 HE3 MET 42 HE3 MET 42 -14.967 7.224 -2.903 304 H ASP 43 H ASP 43 -11.194 3.157 -5.612 305 HA ASP 43 HA ASP 43 -13.041 0.971 -5.353 306 HB2 ASP 43 HB2 ASP 43 -13.551 2.783 -6.852 307 HB3 ASP 43 HB3 ASP 43 -11.998 2.633 -7.677 308 H ASP 44 H ASP 44 -9.934 1.358 -7.194 309 HA ASP 44 HA ASP 44 -9.898 -1.299 -8.217 310 HB2 ASP 44 HB2 ASP 44 -7.992 0.940 -8.045 311 HB3 ASP 44 HB3 ASP 44 -7.198 -0.614 -7.831 312 H LEU 45 H LEU 45 -8.751 0.144 -5.214 313 HA LEU 45 HA LEU 45 -7.415 -2.131 -4.130 314 HB2 LEU 45 HB2 LEU 45 -8.567 0.423 -3.075 315 HB3 LEU 45 HB3 LEU 45 -8.506 -0.905 -1.930 316 HG LEU 45 HG LEU 45 -6.116 -1.224 -2.356 317 HD11 LEU 45 HD11 LEU 45 -4.836 0.606 -3.558 318 HD12 LEU 45 HD12 LEU 45 -6.377 1.260 -4.096 319 HD13 LEU 45 HD13 LEU 45 -5.870 -0.345 -4.641 320 HD21 LEU 45 HD21 LEU 45 -6.809 0.187 -0.490 321 HD22 LEU 45 HD22 LEU 45 -6.915 1.598 -1.568 322 HD23 LEU 45 HD23 LEU 45 -5.342 0.849 -1.213 323 H ALA 46 H ALA 46 -10.854 -1.063 -3.749 324 HA ALA 46 HA ALA 46 -11.646 -3.325 -2.214 325 HB1 ALA 46 HB1 ALA 46 -13.315 -1.589 -4.088 326 HB2 ALA 46 HB2 ALA 46 -13.952 -2.702 -2.864 327 HB3 ALA 46 HB3 ALA 46 -13.014 -1.279 -2.364 328 H SER 47 H SER 47 -11.567 -2.775 -5.720 329 HA SER 47 HA SER 47 -12.855 -5.115 -6.564 330 HB2 SER 47 HB2 SER 47 -12.339 -3.053 -7.904 331 HB3 SER 47 HB3 SER 47 -10.631 -3.502 -7.919 332 HG SER 47 HG SER 47 -11.625 -4.097 -9.813 333 H LEU 48 H LEU 48 -9.486 -4.547 -5.716 334 HA LEU 48 HA LEU 48 -8.506 -7.133 -6.565 335 HB2 LEU 48 HB2 LEU 48 -7.400 -4.830 -4.928 336 HB3 LEU 48 HB3 LEU 48 -6.445 -6.283 -5.222 337 HG LEU 48 HG LEU 48 -7.682 -4.770 -7.543 338 HD11 LEU 48 HD11 LEU 48 -5.703 -3.485 -7.838 339 HD12 LEU 48 HD12 LEU 48 -4.868 -4.287 -6.492 340 HD13 LEU 48 HD13 LEU 48 -6.251 -3.185 -6.204 341 HD21 LEU 48 HD21 LEU 48 -5.937 -5.852 -8.813 342 HD22 LEU 48 HD22 LEU 48 -6.795 -7.103 -7.889 343 HD23 LEU 48 HD23 LEU 48 -5.213 -6.536 -7.344 344 H LYS 49 H LYS 49 -10.778 -7.154 -4.741 345 HA LYS 49 HA LYS 49 -11.685 -8.439 -3.170 346 HB2 LYS 49 HB2 LYS 49 -9.049 -9.859 -2.774 347 HB3 LYS 49 HB3 LYS 49 -10.662 -10.453 -2.417 348 HG2 LYS 49 HG2 LYS 49 -9.349 -10.103 -5.138 349 HG3 LYS 49 HG3 LYS 49 -9.797 -11.597 -4.321 350 HD2 LYS 49 HD2 LYS 49 -12.232 -10.886 -4.508 351 HD3 LYS 49 HD3 LYS 49 -11.677 -9.492 -5.438 352 HE2 LYS 49 HE2 LYS 49 -12.427 -11.126 -6.982 353 HE3 LYS 49 HE3 LYS 49 -10.669 -11.012 -7.136 354 HZ1 LYS 49 HZ1 LYS 49 -10.444 -13.085 -6.031 355 HZ2 LYS 49 HZ2 LYS 49 -11.720 -13.298 -7.056 356 HZ3 LYS 49 HZ3 LYS 49 -12.004 -13.053 -5.472 357 H ILE 50 H ILE 50 -9.293 -6.262 -2.447 358 HA ILE 50 HA ILE 50 -8.796 -6.723 0.312 359 HB ILE 50 HB ILE 50 -8.762 -4.011 -0.981 360 HG12 ILE 50 HG12 ILE 50 -7.496 -5.479 -2.511 361 HG13 ILE 50 HG13 ILE 50 -6.392 -4.496 -1.581 362 HG21 ILE 50 HG21 ILE 50 -8.407 -4.221 1.487 363 HG22 ILE 50 HG22 ILE 50 -7.073 -5.308 1.145 364 HG23 ILE 50 HG23 ILE 50 -6.982 -3.614 0.619 365 HD11 ILE 50 HD11 ILE 50 -7.033 -7.425 -0.969 366 HD12 ILE 50 HD12 ILE 50 -5.614 -6.837 -1.838 367 HD13 ILE 50 HD13 ILE 50 -5.827 -6.423 -0.138 368 HA PRO 51 HA PRO 51 -12.860 -5.599 1.856 369 HB2 PRO 51 HB2 PRO 51 -12.372 -5.693 4.528 370 HB3 PRO 51 HB3 PRO 51 -12.545 -7.169 3.515 371 HG2 PRO 51 HG2 PRO 51 -10.007 -5.780 4.400 372 HG3 PRO 51 HG3 PRO 51 -10.375 -7.521 4.484 373 HD2 PRO 51 HD2 PRO 51 -8.913 -6.475 2.458 374 HD3 PRO 51 HD3 PRO 51 -10.092 -7.787 2.145 375 H GLU 52 H GLU 52 -13.769 -3.642 2.483 376 HA GLU 52 HA GLU 52 -12.424 -1.290 2.131 377 HB2 GLU 52 HB2 GLU 52 -15.045 -2.048 3.228 378 HB3 GLU 52 HB3 GLU 52 -14.451 -0.538 3.886 379 HG2 GLU 52 HG2 GLU 52 -13.913 0.030 1.354 380 HG3 GLU 52 HG3 GLU 52 -15.154 -1.179 1.035 381 H GLN 53 H GLN 53 -12.886 -2.880 5.283 382 HA GLN 53 HA GLN 53 -12.013 -0.711 6.872 383 HB2 GLN 53 HB2 GLN 53 -11.685 -3.664 7.494 384 HB3 GLN 53 HB3 GLN 53 -11.765 -2.342 8.653 385 HG2 GLN 53 HG2 GLN 53 -14.034 -3.302 6.854 386 HG3 GLN 53 HG3 GLN 53 -13.852 -3.666 8.552 387 HE21 GLN 53 HE21 GLN 53 -16.167 -2.754 8.076 388 HE22 GLN 53 HE22 GLN 53 -16.365 -1.019 8.372 389 H PHE 54 H PHE 54 -10.094 -3.393 5.412 390 HA PHE 54 HA PHE 54 -7.650 -2.287 6.639 391 HB2 PHE 54 HB2 PHE 54 -7.590 -4.623 6.516 392 HB3 PHE 54 HB3 PHE 54 -8.231 -4.646 4.875 393 HD1 PHE 54 HD1 PHE 54 -6.852 -4.890 3.096 394 HD2 PHE 54 HD2 PHE 54 -5.224 -3.321 6.753 395 HE1 PHE 54 HE1 PHE 54 -4.611 -4.675 2.007 396 HE2 PHE 54 HE2 PHE 54 -2.992 -3.116 5.691 397 HZ PHE 54 HZ PHE 54 -2.682 -3.770 3.314 398 H ARG 55 H ARG 55 -9.108 -2.531 3.325 399 HA ARG 55 HA ARG 55 -7.049 -1.315 1.935 400 HB2 ARG 55 HB2 ARG 55 -8.395 -1.378 0.169 401 HB3 ARG 55 HB3 ARG 55 -9.362 -2.343 1.225 402 HG2 ARG 55 HG2 ARG 55 -10.950 -0.976 0.283 403 HG3 ARG 55 HG3 ARG 55 -10.632 -0.195 1.827 404 HD2 ARG 55 HD2 ARG 55 -8.948 1.282 0.353 405 HD3 ARG 55 HD3 ARG 55 -9.980 0.728 -0.968 406 HE ARG 55 HE ARG 55 -10.643 2.601 1.193 407 HH11 ARG 55 HH11 ARG 55 -12.097 0.787 -1.565 408 HH12 ARG 55 HH12 ARG 55 -13.685 1.328 -1.105 409 HH21 ARG 55 HH21 ARG 55 -12.690 3.435 1.474 410 HH22 ARG 55 HH22 ARG 55 -14.027 2.798 0.528 411 H HIS 56 H HIS 56 -9.569 0.260 3.907 412 HA HIS 56 HA HIS 56 -8.993 2.949 3.171 413 HB2 HIS 56 HB2 HIS 56 -11.020 2.332 4.271 414 HB3 HIS 56 HB3 HIS 56 -10.173 1.574 5.622 415 HD1 HIS 56 HD1 HIS 56 -11.332 3.038 7.465 416 HD2 HIS 56 HD2 HIS 56 -9.371 5.182 4.392 417 HE1 HIS 56 HE1 HIS 56 -11.173 5.471 8.240 418 H ALA 57 H ALA 57 -7.484 0.745 5.623 419 HA ALA 57 HA ALA 57 -6.006 2.768 6.961 420 HB1 ALA 57 HB1 ALA 57 -4.844 0.943 7.983 421 HB2 ALA 57 HB2 ALA 57 -6.529 0.427 7.794 422 HB3 ALA 57 HB3 ALA 57 -5.285 -0.174 6.678 423 H ILE 58 H ILE 58 -5.062 0.454 4.344 424 HA ILE 58 HA ILE 58 -2.411 1.436 4.096 425 HB ILE 58 HB ILE 58 -2.768 -0.667 3.234 426 HG12 ILE 58 HG12 ILE 58 -2.758 1.213 0.800 427 HG13 ILE 58 HG13 ILE 58 -1.347 0.707 1.750 428 HG21 ILE 58 HG21 ILE 58 -5.240 -0.605 2.949 429 HG22 ILE 58 HG22 ILE 58 -4.983 0.120 1.340 430 HG23 ILE 58 HG23 ILE 58 -4.387 -1.497 1.750 431 HD11 ILE 58 HD11 ILE 58 -2.230 -1.717 0.950 432 HD12 ILE 58 HD12 ILE 58 -2.935 -0.733 -0.340 433 HD13 ILE 58 HD13 ILE 58 -1.186 -0.716 -0.076 434 H TRP 59 H TRP 59 -5.369 2.131 2.196 435 HA TRP 59 HA TRP 59 -4.135 4.006 0.496 436 HB2 TRP 59 HB2 TRP 59 -6.478 2.833 0.398 437 HB3 TRP 59 HB3 TRP 59 -7.046 4.290 1.190 438 HD1 TRP 59 HD1 TRP 59 -4.996 3.211 -1.935 439 HE1 TRP 59 HE1 TRP 59 -5.425 4.788 -3.848 440 HE3 TRP 59 HE3 TRP 59 -7.878 6.634 0.544 441 HZ2 TRP 59 HZ2 TRP 59 -7.000 7.211 -4.328 442 HZ3 TRP 59 HZ3 TRP 59 -8.799 8.608 -0.682 443 HH2 TRP 59 HH2 TRP 59 -8.384 8.876 -3.118 444 H LYS 60 H LYS 60 -6.147 4.757 3.469 445 HA LYS 60 HA LYS 60 -5.590 7.507 3.351 446 HB2 LYS 60 HB2 LYS 60 -7.298 6.438 4.831 447 HB3 LYS 60 HB3 LYS 60 -5.988 5.783 5.830 448 HG2 LYS 60 HG2 LYS 60 -7.035 7.783 6.813 449 HG3 LYS 60 HG3 LYS 60 -5.313 8.015 6.507 450 HD2 LYS 60 HD2 LYS 60 -5.764 9.431 4.566 451 HD3 LYS 60 HD3 LYS 60 -7.474 8.972 4.588 452 HE2 LYS 60 HE2 LYS 60 -7.351 11.157 5.523 453 HE3 LYS 60 HE3 LYS 60 -7.696 10.028 6.843 454 HZ1 LYS 60 HZ1 LYS 60 -5.188 11.464 6.271 455 HZ2 LYS 60 HZ2 LYS 60 -5.204 10.113 7.251 456 HZ3 LYS 60 HZ3 LYS 60 -6.090 11.421 7.648 457 H GLY 61 H GLY 61 -3.621 4.844 4.736 458 HA2 GLY 61 HA2 GLY 61 -1.751 6.428 6.111 459 HA3 GLY 61 HA3 GLY 61 -1.442 4.823 5.419 460 H ILE 62 H ILE 62 -1.580 5.192 2.700 461 HA ILE 62 HA ILE 62 0.896 6.631 2.267 462 HB ILE 62 HB ILE 62 0.346 4.664 1.174 463 HG12 ILE 62 HG12 ILE 62 0.834 7.060 -0.684 464 HG13 ILE 62 HG13 ILE 62 2.048 6.209 0.262 465 HG21 ILE 62 HG21 ILE 62 -1.089 4.378 -0.775 466 HG22 ILE 62 HG22 ILE 62 -2.026 4.879 0.618 467 HG23 ILE 62 HG23 ILE 62 -1.627 6.058 -0.650 468 HD11 ILE 62 HD11 ILE 62 0.579 5.217 -2.204 469 HD12 ILE 62 HD12 ILE 62 2.285 5.640 -2.059 470 HD13 ILE 62 HD13 ILE 62 1.669 4.201 -1.224 471 H LEU 63 H LEU 63 -2.470 7.281 1.520 472 HA LEU 63 HA LEU 63 -2.049 9.656 -0.043 473 HB2 LEU 63 HB2 LEU 63 -4.335 8.615 1.656 474 HB3 LEU 63 HB3 LEU 63 -4.352 10.298 1.210 475 HG LEU 63 HG LEU 63 -5.696 8.912 -0.286 476 HD11 LEU 63 HD11 LEU 63 -5.014 9.901 -2.334 477 HD12 LEU 63 HD12 LEU 63 -3.359 10.186 -1.758 478 HD13 LEU 63 HD13 LEU 63 -4.725 11.076 -1.031 479 HD21 LEU 63 HD21 LEU 63 -4.471 6.842 -0.517 480 HD22 LEU 63 HD22 LEU 63 -3.063 7.687 -1.179 481 HD23 LEU 63 HD23 LEU 63 -4.558 7.600 -2.100 482 H ASP 64 H ASP 64 -2.032 8.986 3.374 483 HA ASP 64 HA ASP 64 -1.972 11.812 4.233 484 HB2 ASP 64 HB2 ASP 64 -2.864 10.067 5.694 485 HB3 ASP 64 HB3 ASP 64 -1.288 9.256 5.734 486 H HIS 65 H HIS 65 0.345 9.293 3.628 487 HA HIS 65 HA HIS 65 2.653 10.599 4.687 488 HB2 HIS 65 HB2 HIS 65 2.639 8.168 4.249 489 HB3 HIS 65 HB3 HIS 65 2.482 8.464 2.520 490 HD1 HIS 65 HD1 HIS 65 4.998 10.121 5.026 491 HD2 HIS 65 HD2 HIS 65 4.752 7.966 1.416 492 HE1 HIS 65 HE1 HIS 65 7.370 9.958 4.131 493 H ARG 66 H ARG 66 1.441 10.236 1.317 494 HA ARG 66 HA ARG 66 3.352 12.126 0.318 495 HB2 ARG 66 HB2 ARG 66 2.190 12.025 -1.798 496 HB3 ARG 66 HB3 ARG 66 2.368 10.428 -1.109 497 HG2 ARG 66 HG2 ARG 66 0.209 10.234 -1.783 498 HG3 ARG 66 HG3 ARG 66 -0.082 10.891 -0.188 499 HD2 ARG 66 HD2 ARG 66 -1.420 12.316 -1.311 500 HD3 ARG 66 HD3 ARG 66 0.080 13.219 -1.506 501 HE ARG 66 HE ARG 66 -0.372 11.260 -3.653 502 HH11 ARG 66 HH11 ARG 66 -0.810 14.649 -2.675 503 HH12 ARG 66 HH12 ARG 66 -1.467 15.157 -4.182 504 HH21 ARG 66 HH21 ARG 66 -1.345 11.920 -5.654 505 HH22 ARG 66 HH22 ARG 66 -1.838 13.574 -5.867 506 H GLN 67 H GLN 67 0.104 12.580 1.814 507 HA GLN 67 HA GLN 67 -0.088 15.308 0.952 508 HB2 GLN 67 HB2 GLN 67 -1.973 13.918 1.532 509 HB3 GLN 67 HB3 GLN 67 -1.429 13.782 3.217 510 HG2 GLN 67 HG2 GLN 67 -1.778 16.532 2.133 511 HG3 GLN 67 HG3 GLN 67 -3.223 15.536 2.160 512 HE21 GLN 67 HE21 GLN 67 -1.130 17.468 4.146 513 HE22 GLN 67 HE22 GLN 67 -2.031 17.182 5.628 514 H LEU 68 H LEU 68 1.732 13.759 3.547 515 HA LEU 68 HA LEU 68 2.298 16.432 4.717 516 HB2 LEU 68 HB2 LEU 68 2.409 13.628 5.856 517 HB3 LEU 68 HB3 LEU 68 3.018 15.046 6.715 518 HG LEU 68 HG LEU 68 0.115 14.660 5.838 519 HD11 LEU 68 HD11 LEU 68 1.397 14.473 8.604 520 HD12 LEU 68 HD12 LEU 68 0.800 13.113 7.630 521 HD13 LEU 68 HD13 LEU 68 -0.344 14.310 8.217 522 HD21 LEU 68 HD21 LEU 68 0.672 17.048 5.948 523 HD22 LEU 68 HD22 LEU 68 1.439 16.821 7.529 524 HD23 LEU 68 HD23 LEU 68 -0.329 16.612 7.321 525 H HIS 69 H HIS 69 3.861 14.015 2.798 526 HA HIS 69 HA HIS 69 6.494 15.256 3.338 527 HB2 HIS 69 HB2 HIS 69 5.639 12.462 3.784 528 HB3 HIS 69 HB3 HIS 69 6.940 12.574 2.622 529 HD1 HIS 69 HD1 HIS 69 9.167 12.198 3.831 530 HD2 HIS 69 HD2 HIS 69 6.355 14.437 6.056 531 HE1 HIS 69 HE1 HIS 69 10.302 12.819 6.002 532 H ASP 70 H ASP 70 7.986 15.013 1.541 533 HA ASP 70 HA ASP 70 7.116 14.215 -1.074 534 HB2 ASP 70 HB2 ASP 70 7.422 16.480 -2.042 535 HB3 ASP 70 HB3 ASP 70 6.016 16.420 -0.990 Start of MODEL 18 1 H1 GLY 1 H GLY 1 16.669 -8.991 2.908 2 HA2 GLY 1 HA2 GLY 1 17.132 -9.024 0.553 3 HA3 GLY 1 HA3 GLY 1 16.481 -7.380 0.436 4 HA PRO 2 HA PRO 2 21.145 -7.461 1.768 5 HB2 PRO 2 HB2 PRO 2 22.532 -7.663 -0.614 6 HB3 PRO 2 HB3 PRO 2 22.155 -9.038 0.455 7 HG2 PRO 2 HG2 PRO 2 20.666 -8.169 -2.029 8 HG3 PRO 2 HG3 PRO 2 21.134 -9.824 -1.527 9 HD2 PRO 2 HD2 PRO 2 18.626 -8.837 -1.113 10 HD3 PRO 2 HD3 PRO 2 19.398 -9.937 0.069 11 H LEU 3 H LEU 3 20.130 -6.292 -1.512 12 HA LEU 3 HA LEU 3 20.934 -3.525 -0.734 13 HB2 LEU 3 HB2 LEU 3 19.973 -4.673 -3.387 14 HB3 LEU 3 HB3 LEU 3 20.378 -2.999 -3.088 15 HG LEU 3 HG LEU 3 22.135 -3.938 -4.318 16 HD11 LEU 3 HD11 LEU 3 24.060 -3.457 -2.989 17 HD12 LEU 3 HD12 LEU 3 23.209 -3.820 -1.482 18 HD13 LEU 3 HD13 LEU 3 22.767 -2.385 -2.445 19 HD21 LEU 3 HD21 LEU 3 21.731 -6.349 -3.739 20 HD22 LEU 3 HD22 LEU 3 22.645 -6.075 -2.231 21 HD23 LEU 3 HD23 LEU 3 23.424 -5.859 -3.793 22 H GLY 4 H GLY 4 19.336 -1.904 -0.806 23 HA2 GLY 4 HA2 GLY 4 16.817 -1.636 -1.537 24 HA3 GLY 4 HA3 GLY 4 16.579 -2.846 -0.282 25 H SER 5 H SER 5 18.963 -0.122 -0.189 26 HA SER 5 HA SER 5 18.263 0.594 2.452 27 HB2 SER 5 HB2 SER 5 19.567 2.368 0.348 28 HB3 SER 5 HB3 SER 5 19.712 2.490 2.109 29 HG SER 5 HG SER 5 21.498 1.513 1.211 30 H THR 6 H THR 6 16.593 1.472 -0.530 31 HA THR 6 HA THR 6 15.234 3.708 0.860 32 HB THR 6 HB THR 6 14.700 4.523 -1.354 33 HG1 THR 6 HG1 THR 6 14.732 3.209 -2.903 34 HG21 THR 6 HG21 THR 6 16.894 5.226 -2.084 35 HG22 THR 6 HG22 THR 6 17.686 3.943 -1.161 36 HG23 THR 6 HG23 THR 6 16.828 5.246 -0.319 37 H ASP 7 H ASP 7 12.896 3.975 0.045 38 HA ASP 7 HA ASP 7 11.498 1.419 0.484 39 HB2 ASP 7 HB2 ASP 7 10.681 4.338 0.631 40 HB3 ASP 7 HB3 ASP 7 9.558 3.042 0.813 41 H CYS 8 H CYS 8 10.600 0.370 -1.190 42 HA CYS 8 HA CYS 8 9.668 1.879 -3.553 43 HB2 CYS 8 HB2 CYS 8 10.874 0.356 -5.085 44 HB3 CYS 8 HB3 CYS 8 11.990 1.309 -4.098 45 HG CYS 8 HG CYS 8 10.911 -1.780 -3.528 46 H SER 9 H SER 9 9.076 -0.685 -1.276 47 HA SER 9 HA SER 9 6.912 -1.668 -3.045 48 HB2 SER 9 HB2 SER 9 8.939 -3.415 -1.606 49 HB3 SER 9 HB3 SER 9 7.493 -3.987 -2.470 50 HG SER 9 HG SER 9 8.386 -3.489 -4.371 51 H ILE 10 H ILE 10 5.129 -2.488 -1.905 52 HA ILE 10 HA ILE 10 4.329 -1.126 0.346 53 HB ILE 10 HB ILE 10 3.302 -3.787 -0.672 54 HG12 ILE 10 HG12 ILE 10 2.408 -0.906 -1.121 55 HG13 ILE 10 HG13 ILE 10 3.240 -1.925 -2.262 56 HG21 ILE 10 HG21 ILE 10 1.196 -3.298 0.485 57 HG22 ILE 10 HG22 ILE 10 2.512 -3.470 1.608 58 HG23 ILE 10 HG23 ILE 10 1.934 -1.838 1.198 59 HD11 ILE 10 HD11 ILE 10 1.001 -2.104 -2.982 60 HD12 ILE 10 HD12 ILE 10 1.223 -3.558 -2.007 61 HD13 ILE 10 HD13 ILE 10 0.376 -2.160 -1.327 62 H VAL 11 H VAL 11 6.238 -4.044 0.279 63 HA VAL 11 HA VAL 11 5.735 -5.036 2.847 64 HB VAL 11 HB VAL 11 8.258 -5.594 2.847 65 HG11 VAL 11 HG11 VAL 11 6.344 -6.488 0.648 66 HG12 VAL 11 HG12 VAL 11 7.787 -7.402 1.162 67 HG13 VAL 11 HG13 VAL 11 6.449 -7.143 2.297 68 HG21 VAL 11 HG21 VAL 11 8.982 -3.893 1.124 69 HG22 VAL 11 HG22 VAL 11 9.422 -5.559 0.731 70 HG23 VAL 11 HG23 VAL 11 8.051 -4.805 -0.087 71 H SER 12 H SER 12 7.965 -2.324 2.086 72 HA SER 12 HA SER 12 8.721 -1.962 4.846 73 HB2 SER 12 HB2 SER 12 9.901 -1.204 2.676 74 HB3 SER 12 HB3 SER 12 8.753 0.145 2.660 75 HG SER 12 HG SER 12 10.518 0.879 3.674 76 H PHE 13 H PHE 13 6.207 -0.488 2.720 77 HA PHE 13 HA PHE 13 5.385 1.477 4.601 78 HB2 PHE 13 HB2 PHE 13 4.871 1.640 2.246 79 HB3 PHE 13 HB3 PHE 13 4.015 0.115 2.257 80 HD1 PHE 13 HD1 PHE 13 1.778 0.603 1.694 81 HD2 PHE 13 HD2 PHE 13 3.776 3.084 4.629 82 HE1 PHE 13 HE1 PHE 13 -0.366 1.764 2.243 83 HE2 PHE 13 HE2 PHE 13 1.617 4.151 5.175 84 HZ PHE 13 HZ PHE 13 -0.460 3.412 4.057 85 H PHE 14 H PHE 14 4.195 -1.826 3.962 86 HA PHE 14 HA PHE 14 2.146 -1.847 5.911 87 HB2 PHE 14 HB2 PHE 14 3.658 -3.917 4.320 88 HB3 PHE 14 HB3 PHE 14 2.728 -4.450 5.684 89 HD1 PHE 14 HD1 PHE 14 1.426 -5.786 4.054 90 HD2 PHE 14 HD2 PHE 14 1.330 -1.496 3.942 91 HE1 PHE 14 HE1 PHE 14 -0.580 -5.876 2.594 92 HE2 PHE 14 HE2 PHE 14 -0.691 -1.575 2.579 93 HZ PHE 14 HZ PHE 14 -1.653 -3.792 1.858 94 H ALA 15 H ALA 15 5.585 -2.614 6.119 95 HA ALA 15 HA ALA 15 5.571 -3.723 8.734 96 HB1 ALA 15 HB1 ALA 15 7.583 -3.783 7.277 97 HB2 ALA 15 HB2 ALA 15 7.756 -2.021 7.423 98 HB3 ALA 15 HB3 ALA 15 7.951 -3.047 8.845 99 H ARG 16 H ARG 16 5.826 -0.292 7.592 100 HA ARG 16 HA ARG 16 5.922 0.813 10.241 101 HB2 ARG 16 HB2 ARG 16 4.869 2.023 7.652 102 HB3 ARG 16 HB3 ARG 16 5.113 2.934 9.134 103 HG2 ARG 16 HG2 ARG 16 7.362 1.503 7.646 104 HG3 ARG 16 HG3 ARG 16 6.861 3.164 7.384 105 HD2 ARG 16 HD2 ARG 16 8.735 3.286 8.874 106 HD3 ARG 16 HD3 ARG 16 7.310 3.640 9.832 107 HE ARG 16 HE ARG 16 7.668 1.797 11.104 108 HH11 ARG 16 HH11 ARG 16 9.925 1.591 8.351 109 HH12 ARG 16 HH12 ARG 16 10.540 0.037 8.816 110 HH21 ARG 16 HH21 ARG 16 8.379 -0.317 11.575 111 HH22 ARG 16 HH22 ARG 16 9.775 -0.992 10.747 112 H LEU 17 H LEU 17 3.109 0.059 8.172 113 HA LEU 17 HA LEU 17 1.192 1.214 9.990 114 HB2 LEU 17 HB2 LEU 17 0.692 -1.224 8.219 115 HB3 LEU 17 HB3 LEU 17 -0.522 -0.175 8.956 116 HG LEU 17 HG LEU 17 1.472 0.559 6.836 117 HD11 LEU 17 HD11 LEU 17 -1.526 0.206 6.660 118 HD12 LEU 17 HD12 LEU 17 -0.234 -0.777 5.912 119 HD13 LEU 17 HD13 LEU 17 -0.499 0.875 5.370 120 HD21 LEU 17 HD21 LEU 17 -0.687 2.274 8.178 121 HD22 LEU 17 HD22 LEU 17 0.155 2.750 6.688 122 HD23 LEU 17 HD23 LEU 17 1.067 2.573 8.177 123 H GLY 18 H GLY 18 2.480 -2.123 9.728 124 HA2 GLY 18 HA2 GLY 18 3.025 -3.434 11.604 125 HA3 GLY 18 HA3 GLY 18 1.796 -2.624 12.573 126 H CYS 19 H CYS 19 1.357 -3.819 9.189 127 HA CYS 19 HA CYS 19 -0.957 -5.384 10.174 128 HB2 CYS 19 HB2 CYS 19 -1.647 -5.589 7.968 129 HB3 CYS 19 HB3 CYS 19 -1.030 -3.930 8.140 130 HG CYS 19 HG CYS 19 -0.205 -4.437 5.939 131 H SER 20 H SER 20 -1.161 -7.743 9.322 132 HA SER 20 HA SER 20 1.529 -9.059 9.375 133 HB2 SER 20 HB2 SER 20 -0.919 -9.869 10.973 134 HB3 SER 20 HB3 SER 20 0.653 -10.697 10.952 135 HG SER 20 HG SER 20 -0.099 -8.729 12.516 136 H SER 21 H SER 21 -1.932 -10.024 9.095 137 HA SER 21 HA SER 21 -1.374 -12.142 7.265 138 HB2 SER 21 HB2 SER 21 -3.918 -10.581 7.937 139 HB3 SER 21 HB3 SER 21 -3.880 -12.055 6.966 140 HG SER 21 HG SER 21 -3.084 -11.807 9.720 141 H CYS 22 H CYS 22 -2.196 -8.708 6.796 142 HA CYS 22 HA CYS 22 -2.945 -8.861 4.125 143 HB2 CYS 22 HB2 CYS 22 -1.590 -6.426 5.357 144 HB3 CYS 22 HB3 CYS 22 -2.901 -6.468 4.185 145 HG CYS 22 HG CYS 22 -4.464 -7.892 6.027 146 H LEU 23 H LEU 23 0.225 -8.343 5.609 147 HA LEU 23 HA LEU 23 1.533 -7.727 3.118 148 HB2 LEU 23 HB2 LEU 23 3.471 -7.505 4.303 149 HB3 LEU 23 HB3 LEU 23 2.295 -7.211 5.553 150 HG LEU 23 HG LEU 23 2.665 -9.876 5.968 151 HD11 LEU 23 HD11 LEU 23 5.351 -8.878 4.932 152 HD12 LEU 23 HD12 LEU 23 4.351 -10.111 4.136 153 HD13 LEU 23 HD13 LEU 23 5.034 -10.434 5.729 154 HD21 LEU 23 HD21 LEU 23 4.353 -7.572 6.949 155 HD22 LEU 23 HD22 LEU 23 4.339 -9.183 7.695 156 HD23 LEU 23 HD23 LEU 23 2.871 -8.194 7.676 157 H ASP 24 H ASP 24 0.850 -10.767 4.857 158 HA ASP 24 HA ASP 24 2.581 -12.388 3.246 159 HB2 ASP 24 HB2 ASP 24 1.633 -13.234 5.328 160 HB3 ASP 24 HB3 ASP 24 0.002 -13.087 4.668 161 H TYR 25 H TYR 25 -0.909 -11.610 3.001 162 HA TYR 25 HA TYR 25 -1.385 -12.954 0.579 163 HB2 TYR 25 HB2 TYR 25 -2.607 -10.302 1.422 164 HB3 TYR 25 HB3 TYR 25 -3.270 -11.439 0.267 165 HD1 TYR 25 HD1 TYR 25 -4.749 -10.237 2.556 166 HD2 TYR 25 HD2 TYR 25 -2.503 -13.925 2.330 167 HE1 TYR 25 HE1 TYR 25 -6.313 -11.278 4.132 168 HE2 TYR 25 HE2 TYR 25 -4.014 -14.934 3.993 169 HH TYR 25 HH TYR 25 -6.280 -14.682 4.850 170 H PHE 26 H PHE 26 -0.501 -9.459 0.970 171 HA PHE 26 HA PHE 26 -0.323 -8.881 -1.754 172 HB2 PHE 26 HB2 PHE 26 0.711 -7.653 0.749 173 HB3 PHE 26 HB3 PHE 26 1.687 -7.294 -0.661 174 HD1 PHE 26 HD1 PHE 26 0.793 -6.115 -2.611 175 HD2 PHE 26 HD2 PHE 26 -1.600 -6.859 0.857 176 HE1 PHE 26 HE1 PHE 26 -0.908 -4.569 -3.509 177 HE2 PHE 26 HE2 PHE 26 -3.388 -5.374 -0.056 178 HZ PHE 26 HZ PHE 26 -3.095 -4.362 -2.306 179 H THR 27 H THR 27 2.368 -9.950 0.336 180 HA THR 27 HA THR 27 4.302 -9.857 -1.740 181 HB THR 27 HB THR 27 5.682 -11.219 -0.158 182 HG1 THR 27 HG1 THR 27 3.432 -11.036 1.553 183 HG21 THR 27 HG21 THR 27 5.727 -9.552 1.688 184 HG22 THR 27 HG22 THR 27 4.253 -8.812 1.063 185 HG23 THR 27 HG23 THR 27 5.727 -8.818 0.073 186 H THR 28 H THR 28 2.434 -12.746 -0.515 187 HA THR 28 HA THR 28 3.651 -14.484 -2.405 188 HB THR 28 HB THR 28 1.054 -14.603 -0.828 189 HG1 THR 28 HG1 THR 28 2.378 -15.927 0.449 190 HG21 THR 28 HG21 THR 28 2.402 -16.753 -2.533 191 HG22 THR 28 HG22 THR 28 0.739 -16.152 -2.677 192 HG23 THR 28 HG23 THR 28 1.217 -17.097 -1.259 193 H GLN 29 H GLN 29 0.782 -12.316 -2.741 194 HA GLN 29 HA GLN 29 0.004 -13.448 -5.271 195 HB2 GLN 29 HB2 GLN 29 -0.468 -10.732 -4.006 196 HB3 GLN 29 HB3 GLN 29 -1.247 -11.292 -5.498 197 HG2 GLN 29 HG2 GLN 29 -1.578 -12.874 -2.947 198 HG3 GLN 29 HG3 GLN 29 -2.551 -11.446 -3.264 199 HE21 GLN 29 HE21 GLN 29 -2.680 -14.660 -3.340 200 HE22 GLN 29 HE22 GLN 29 -3.783 -14.952 -4.681 201 H GLY 30 H GLY 30 2.625 -11.388 -4.383 202 HA2 GLY 30 HA2 GLY 30 4.373 -10.476 -5.578 203 HA3 GLY 30 HA3 GLY 30 3.784 -11.351 -6.998 204 H LEU 31 H LEU 31 1.887 -9.024 -5.200 205 HA LEU 31 HA LEU 31 2.024 -7.059 -7.467 206 HB2 LEU 31 HB2 LEU 31 -0.444 -6.648 -6.996 207 HB3 LEU 31 HB3 LEU 31 0.028 -8.116 -7.826 208 HG LEU 31 HG LEU 31 -0.190 -9.398 -5.761 209 HD11 LEU 31 HD11 LEU 31 -1.240 -6.830 -4.559 210 HD12 LEU 31 HD12 LEU 31 0.166 -7.792 -4.017 211 HD13 LEU 31 HD13 LEU 31 -1.465 -8.429 -3.826 212 HD21 LEU 31 HD21 LEU 31 -2.705 -7.876 -6.440 213 HD22 LEU 31 HD22 LEU 31 -2.611 -9.446 -5.621 214 HD23 LEU 31 HD23 LEU 31 -2.059 -9.308 -7.296 215 H THR 32 H THR 32 3.403 -7.130 -4.785 216 HA THR 32 HA THR 32 2.221 -4.804 -3.411 217 HB THR 32 HB THR 32 3.132 -5.976 -1.722 218 HG1 THR 32 HG1 THR 32 5.758 -5.628 -2.071 219 HG21 THR 32 HG21 THR 32 5.191 -7.276 -3.544 220 HG22 THR 32 HG22 THR 32 3.667 -7.999 -2.980 221 HG23 THR 32 HG23 THR 32 4.935 -7.631 -1.818 222 H THR 33 H THR 33 2.577 -2.675 -4.148 223 HA THR 33 HA THR 33 5.287 -1.984 -4.730 224 HB THR 33 HB THR 33 5.066 -2.357 -6.942 225 HG1 THR 33 HG1 THR 33 4.833 -0.517 -7.736 226 HG21 THR 33 HG21 THR 33 3.098 -3.854 -6.855 227 HG22 THR 33 HG22 THR 33 2.979 -2.788 -8.224 228 HG23 THR 33 HG23 THR 33 1.991 -2.470 -6.771 229 H ILE 34 H ILE 34 5.540 0.271 -4.479 230 HA ILE 34 HA ILE 34 3.439 1.571 -2.903 231 HB ILE 34 HB ILE 34 6.097 2.783 -3.738 232 HG12 ILE 34 HG12 ILE 34 6.407 0.675 -2.448 233 HG13 ILE 34 HG13 ILE 34 7.054 2.118 -1.704 234 HG21 ILE 34 HG21 ILE 34 4.078 3.492 -1.562 235 HG22 ILE 34 HG22 ILE 34 5.728 4.116 -1.598 236 HG23 ILE 34 HG23 ILE 34 4.604 4.518 -2.917 237 HD11 ILE 34 HD11 ILE 34 4.367 0.822 -0.945 238 HD12 ILE 34 HD12 ILE 34 5.876 0.613 -0.045 239 HD13 ILE 34 HD13 ILE 34 5.139 2.188 -0.106 240 H TYR 35 H TYR 35 5.081 2.246 -5.936 241 HA TYR 35 HA TYR 35 3.753 4.610 -6.642 242 HB2 TYR 35 HB2 TYR 35 5.192 2.486 -8.281 243 HB3 TYR 35 HB3 TYR 35 4.658 4.034 -8.917 244 HD1 TYR 35 HD1 TYR 35 6.821 2.620 -6.095 245 HD2 TYR 35 HD2 TYR 35 6.053 5.906 -8.807 246 HE1 TYR 35 HE1 TYR 35 8.663 3.837 -5.090 247 HE2 TYR 35 HE2 TYR 35 8.019 7.075 -7.927 248 HH TYR 35 HH TYR 35 9.778 6.019 -5.059 249 H GLN 36 H GLN 36 2.782 1.237 -6.979 250 HA GLN 36 HA GLN 36 0.647 1.901 -8.885 251 HB2 GLN 36 HB2 GLN 36 1.305 -0.558 -7.245 252 HB3 GLN 36 HB3 GLN 36 -0.139 -0.451 -8.237 253 HG2 GLN 36 HG2 GLN 36 2.657 -0.162 -9.374 254 HG3 GLN 36 HG3 GLN 36 1.681 -1.631 -9.404 255 HE21 GLN 36 HE21 GLN 36 2.011 1.613 -10.888 256 HE22 GLN 36 HE22 GLN 36 0.815 1.304 -12.100 257 H ILE 37 H ILE 37 0.788 1.324 -5.278 258 HA ILE 37 HA ILE 37 -2.050 1.666 -5.041 259 HB ILE 37 HB ILE 37 -1.662 1.982 -2.632 260 HG12 ILE 37 HG12 ILE 37 1.250 1.532 -3.302 261 HG13 ILE 37 HG13 ILE 37 0.575 3.040 -2.665 262 HG21 ILE 37 HG21 ILE 37 -1.107 -0.345 -2.318 263 HG22 ILE 37 HG22 ILE 37 -1.956 -0.215 -3.865 264 HG23 ILE 37 HG23 ILE 37 -0.189 -0.391 -3.836 265 HD11 ILE 37 HD11 ILE 37 0.632 0.346 -1.242 266 HD12 ILE 37 HD12 ILE 37 1.732 1.693 -0.964 267 HD13 ILE 37 HD13 ILE 37 -0.005 1.861 -0.569 268 H GLU 38 H GLU 38 0.425 3.983 -5.612 269 HA GLU 38 HA GLU 38 -1.013 6.187 -4.430 270 HB2 GLU 38 HB2 GLU 38 1.509 6.007 -5.028 271 HB3 GLU 38 HB3 GLU 38 1.009 6.393 -6.682 272 HG2 GLU 38 HG2 GLU 38 -0.091 8.487 -5.788 273 HG3 GLU 38 HG3 GLU 38 0.490 8.067 -4.171 274 H HIS 39 H HIS 39 -1.456 4.282 -7.336 275 HA HIS 39 HA HIS 39 -3.291 6.364 -8.479 276 HB2 HIS 39 HB2 HIS 39 -1.177 5.508 -9.733 277 HB3 HIS 39 HB3 HIS 39 -2.065 4.011 -9.947 278 HD1 HIS 39 HD1 HIS 39 -1.045 6.090 -12.243 279 HD2 HIS 39 HD2 HIS 39 -4.980 5.588 -10.806 280 HE1 HIS 39 HE1 HIS 39 -2.606 6.812 -14.116 281 H TYR 40 H TYR 40 -2.966 2.980 -7.318 282 HA TYR 40 HA TYR 40 -5.535 2.142 -8.270 283 HB2 TYR 40 HB2 TYR 40 -3.591 0.981 -6.233 284 HB3 TYR 40 HB3 TYR 40 -5.172 0.286 -6.496 285 HD1 TYR 40 HD1 TYR 40 -2.069 -0.876 -7.082 286 HD2 TYR 40 HD2 TYR 40 -5.443 0.528 -9.503 287 HE1 TYR 40 HE1 TYR 40 -1.469 -2.367 -8.906 288 HE2 TYR 40 HE2 TYR 40 -4.762 -0.936 -11.287 289 HH TYR 40 HH TYR 40 -2.498 -3.525 -10.912 290 H SER 41 H SER 41 -7.184 3.357 -7.734 291 HA SER 41 HA SER 41 -7.496 4.643 -5.198 292 HB2 SER 41 HB2 SER 41 -9.574 5.450 -6.191 293 HB3 SER 41 HB3 SER 41 -8.347 5.462 -7.464 294 HG SER 41 HG SER 41 -9.575 4.187 -8.562 295 H MET 42 H MET 42 -9.803 4.485 -4.202 296 HA MET 42 HA MET 42 -10.001 2.154 -2.703 297 HB2 MET 42 HB2 MET 42 -12.292 2.930 -2.120 298 HB3 MET 42 HB3 MET 42 -11.084 4.200 -1.971 299 HG2 MET 42 HG2 MET 42 -11.854 5.302 -3.923 300 HG3 MET 42 HG3 MET 42 -12.785 3.918 -4.482 301 HE1 MET 42 HE1 MET 42 -14.668 2.852 -2.394 302 HE2 MET 42 HE2 MET 42 -16.045 3.961 -2.511 303 HE3 MET 42 HE3 MET 42 -15.211 3.434 -3.988 304 H ASP 43 H ASP 43 -11.291 2.674 -5.917 305 HA ASP 43 HA ASP 43 -13.233 0.515 -5.842 306 HB2 ASP 43 HB2 ASP 43 -13.493 2.467 -7.295 307 HB3 ASP 43 HB3 ASP 43 -11.964 2.079 -8.102 308 H ASP 44 H ASP 44 -10.009 1.016 -7.349 309 HA ASP 44 HA ASP 44 -9.850 -1.638 -8.386 310 HB2 ASP 44 HB2 ASP 44 -8.068 0.692 -8.176 311 HB3 ASP 44 HB3 ASP 44 -7.191 -0.806 -7.909 312 H LEU 45 H LEU 45 -9.015 -0.233 -5.300 313 HA LEU 45 HA LEU 45 -7.628 -2.545 -4.239 314 HB2 LEU 45 HB2 LEU 45 -9.041 -0.222 -2.845 315 HB3 LEU 45 HB3 LEU 45 -8.025 -1.398 -2.007 316 HG LEU 45 HG LEU 45 -7.001 0.320 -4.314 317 HD11 LEU 45 HD11 LEU 45 -7.748 1.706 -2.369 318 HD12 LEU 45 HD12 LEU 45 -6.032 1.757 -2.692 319 HD13 LEU 45 HD13 LEU 45 -6.630 0.785 -1.327 320 HD21 LEU 45 HD21 LEU 45 -4.823 -0.300 -3.551 321 HD22 LEU 45 HD22 LEU 45 -5.717 -1.750 -3.913 322 HD23 LEU 45 HD23 LEU 45 -5.525 -1.261 -2.215 323 H ALA 46 H ALA 46 -11.019 -1.368 -3.955 324 HA ALA 46 HA ALA 46 -11.925 -3.548 -2.366 325 HB1 ALA 46 HB1 ALA 46 -13.184 -1.469 -2.680 326 HB2 ALA 46 HB2 ALA 46 -13.431 -1.869 -4.402 327 HB3 ALA 46 HB3 ALA 46 -14.167 -2.863 -3.125 328 H SER 47 H SER 47 -11.559 -3.182 -5.874 329 HA SER 47 HA SER 47 -12.757 -5.603 -6.719 330 HB2 SER 47 HB2 SER 47 -12.283 -3.685 -8.170 331 HB3 SER 47 HB3 SER 47 -10.559 -3.844 -7.886 332 HG SER 47 HG SER 47 -11.155 -4.608 -9.848 333 H LEU 48 H LEU 48 -9.433 -4.846 -5.630 334 HA LEU 48 HA LEU 48 -8.367 -7.477 -6.049 335 HB2 LEU 48 HB2 LEU 48 -7.443 -5.086 -4.430 336 HB3 LEU 48 HB3 LEU 48 -6.521 -6.578 -4.458 337 HG LEU 48 HG LEU 48 -7.284 -5.136 -6.991 338 HD11 LEU 48 HD11 LEU 48 -6.005 -3.589 -5.561 339 HD12 LEU 48 HD12 LEU 48 -5.094 -4.080 -6.982 340 HD13 LEU 48 HD13 LEU 48 -4.717 -4.810 -5.396 341 HD21 LEU 48 HD21 LEU 48 -5.063 -7.131 -6.389 342 HD22 LEU 48 HD22 LEU 48 -5.394 -6.352 -7.956 343 HD23 LEU 48 HD23 LEU 48 -6.559 -7.478 -7.286 344 H LYS 49 H LYS 49 -10.860 -6.989 -4.169 345 HA LYS 49 HA LYS 49 -11.917 -8.120 -2.582 346 HB2 LYS 49 HB2 LYS 49 -9.504 -9.930 -2.243 347 HB3 LYS 49 HB3 LYS 49 -11.058 -10.127 -1.494 348 HG2 LYS 49 HG2 LYS 49 -11.106 -11.658 -3.207 349 HG3 LYS 49 HG3 LYS 49 -12.138 -10.339 -3.726 350 HD2 LYS 49 HD2 LYS 49 -10.796 -11.281 -5.562 351 HD3 LYS 49 HD3 LYS 49 -10.423 -9.584 -5.304 352 HE2 LYS 49 HE2 LYS 49 -8.427 -10.310 -3.929 353 HE3 LYS 49 HE3 LYS 49 -8.771 -11.977 -4.375 354 HZ1 LYS 49 HZ1 LYS 49 -7.091 -10.709 -5.776 355 HZ2 LYS 49 HZ2 LYS 49 -8.364 -9.908 -6.448 356 HZ3 LYS 49 HZ3 LYS 49 -8.245 -11.525 -6.589 357 H ILE 50 H ILE 50 -9.684 -5.959 -2.101 358 HA ILE 50 HA ILE 50 -9.000 -6.244 0.684 359 HB ILE 50 HB ILE 50 -9.081 -3.765 -1.055 360 HG12 ILE 50 HG12 ILE 50 -7.695 -5.510 -2.159 361 HG13 ILE 50 HG13 ILE 50 -6.731 -4.175 -1.614 362 HG21 ILE 50 HG21 ILE 50 -7.567 -2.722 0.379 363 HG22 ILE 50 HG22 ILE 50 -8.813 -3.436 1.435 364 HG23 ILE 50 HG23 ILE 50 -7.244 -4.220 1.249 365 HD11 ILE 50 HD11 ILE 50 -7.016 -6.862 -0.174 366 HD12 ILE 50 HD12 ILE 50 -5.654 -6.391 -1.204 367 HD13 ILE 50 HD13 ILE 50 -5.929 -5.562 0.328 368 HA PRO 51 HA PRO 51 -13.258 -5.138 1.734 369 HB2 PRO 51 HB2 PRO 51 -13.153 -5.321 4.475 370 HB3 PRO 51 HB3 PRO 51 -13.235 -6.734 3.376 371 HG2 PRO 51 HG2 PRO 51 -10.785 -5.532 4.681 372 HG3 PRO 51 HG3 PRO 51 -11.246 -7.256 4.586 373 HD2 PRO 51 HD2 PRO 51 -9.472 -6.113 2.846 374 HD3 PRO 51 HD3 PRO 51 -10.589 -7.410 2.336 375 H GLU 52 H GLU 52 -14.203 -3.164 2.254 376 HA GLU 52 HA GLU 52 -12.750 -0.853 2.081 377 HB2 GLU 52 HB2 GLU 52 -15.411 -1.133 3.470 378 HB3 GLU 52 HB3 GLU 52 -14.624 0.365 2.987 379 HG2 GLU 52 HG2 GLU 52 -14.499 -0.777 0.608 380 HG3 GLU 52 HG3 GLU 52 -15.838 -1.756 1.236 381 H GLN 53 H GLN 53 -13.521 -2.503 5.086 382 HA GLN 53 HA GLN 53 -12.901 -0.488 6.957 383 HB2 GLN 53 HB2 GLN 53 -12.602 -3.529 7.116 384 HB3 GLN 53 HB3 GLN 53 -12.392 -2.431 8.480 385 HG2 GLN 53 HG2 GLN 53 -14.581 -3.306 8.666 386 HG3 GLN 53 HG3 GLN 53 -14.726 -1.628 8.178 387 HE21 GLN 53 HE21 GLN 53 -15.328 -4.976 7.259 388 HE22 GLN 53 HE22 GLN 53 -16.184 -4.652 5.782 389 H PHE 54 H PHE 54 -10.766 -3.075 5.636 390 HA PHE 54 HA PHE 54 -8.379 -1.940 6.839 391 HB2 PHE 54 HB2 PHE 54 -8.499 -4.302 6.626 392 HB3 PHE 54 HB3 PHE 54 -8.970 -4.209 4.929 393 HD1 PHE 54 HD1 PHE 54 -7.450 -3.833 3.227 394 HD2 PHE 54 HD2 PHE 54 -6.075 -3.819 7.264 395 HE1 PHE 54 HE1 PHE 54 -5.069 -3.888 2.389 396 HE2 PHE 54 HE2 PHE 54 -3.748 -3.872 6.494 397 HZ PHE 54 HZ PHE 54 -3.214 -3.901 4.058 398 H ARG 55 H ARG 55 -9.809 -2.007 3.575 399 HA ARG 55 HA ARG 55 -7.859 -0.898 1.983 400 HB2 ARG 55 HB2 ARG 55 -10.056 -1.681 1.173 401 HB3 ARG 55 HB3 ARG 55 -10.828 -0.311 1.954 402 HG2 ARG 55 HG2 ARG 55 -8.701 0.272 -0.075 403 HG3 ARG 55 HG3 ARG 55 -10.247 -0.343 -0.657 404 HD2 ARG 55 HD2 ARG 55 -10.043 2.108 1.146 405 HD3 ARG 55 HD3 ARG 55 -10.010 2.188 -0.598 406 HE ARG 55 HE ARG 55 -12.262 0.776 -0.261 407 HH11 ARG 55 HH11 ARG 55 -11.224 3.910 1.242 408 HH12 ARG 55 HH12 ARG 55 -12.847 4.268 1.723 409 HH21 ARG 55 HH21 ARG 55 -14.497 1.645 0.068 410 HH22 ARG 55 HH22 ARG 55 -14.593 3.192 0.753 411 H HIS 56 H HIS 56 -10.173 0.933 4.089 412 HA HIS 56 HA HIS 56 -9.223 3.475 3.178 413 HB2 HIS 56 HB2 HIS 56 -11.366 3.158 4.373 414 HB3 HIS 56 HB3 HIS 56 -10.484 2.752 5.850 415 HD1 HIS 56 HD1 HIS 56 -9.287 4.881 7.148 416 HD2 HIS 56 HD2 HIS 56 -11.409 5.730 3.587 417 HE1 HIS 56 HE1 HIS 56 -9.579 7.383 7.064 418 H ALA 57 H ALA 57 -8.073 1.280 5.809 419 HA ALA 57 HA ALA 57 -6.322 3.184 6.988 420 HB1 ALA 57 HB1 ALA 57 -6.997 0.997 8.006 421 HB2 ALA 57 HB2 ALA 57 -5.924 0.176 6.831 422 HB3 ALA 57 HB3 ALA 57 -5.240 1.287 8.034 423 H ILE 58 H ILE 58 -5.650 0.695 4.483 424 HA ILE 58 HA ILE 58 -2.892 1.358 4.236 425 HB ILE 58 HB ILE 58 -3.552 -0.753 3.502 426 HG12 ILE 58 HG12 ILE 58 -3.086 0.986 0.999 427 HG13 ILE 58 HG13 ILE 58 -1.859 0.364 2.137 428 HG21 ILE 58 HG21 ILE 58 -5.151 -1.374 1.822 429 HG22 ILE 58 HG22 ILE 58 -5.951 -0.409 3.028 430 HG23 ILE 58 HG23 ILE 58 -5.524 0.312 1.451 431 HD11 ILE 58 HD11 ILE 58 -1.752 -1.062 0.271 432 HD12 ILE 58 HD12 ILE 58 -2.723 -1.974 1.467 433 HD13 ILE 58 HD13 ILE 58 -3.522 -1.107 0.154 434 H TRP 59 H TRP 59 -5.721 2.234 2.216 435 HA TRP 59 HA TRP 59 -4.185 3.869 0.483 436 HB2 TRP 59 HB2 TRP 59 -6.569 2.895 0.204 437 HB3 TRP 59 HB3 TRP 59 -7.118 4.377 0.988 438 HD1 TRP 59 HD1 TRP 59 -4.756 3.334 -1.875 439 HE1 TRP 59 HE1 TRP 59 -5.191 4.777 -3.929 440 HE3 TRP 59 HE3 TRP 59 -7.799 6.791 0.265 441 HZ2 TRP 59 HZ2 TRP 59 -6.933 7.041 -4.625 442 HZ3 TRP 59 HZ3 TRP 59 -8.893 8.563 -1.117 443 HH2 TRP 59 HH2 TRP 59 -8.499 8.664 -3.554 444 H LYS 60 H LYS 60 -6.209 4.854 3.308 445 HA LYS 60 HA LYS 60 -5.657 7.613 3.069 446 HB2 LYS 60 HB2 LYS 60 -7.396 6.621 4.602 447 HB3 LYS 60 HB3 LYS 60 -6.102 5.946 5.600 448 HG2 LYS 60 HG2 LYS 60 -7.028 7.915 6.639 449 HG3 LYS 60 HG3 LYS 60 -5.331 8.141 6.250 450 HD2 LYS 60 HD2 LYS 60 -6.599 10.154 5.770 451 HD3 LYS 60 HD3 LYS 60 -5.926 9.500 4.278 452 HE2 LYS 60 HE2 LYS 60 -8.092 8.467 3.702 453 HE3 LYS 60 HE3 LYS 60 -8.768 8.961 5.262 454 HZ1 LYS 60 HZ1 LYS 60 -9.414 10.408 3.457 455 HZ2 LYS 60 HZ2 LYS 60 -7.823 10.850 3.206 456 HZ3 LYS 60 HZ3 LYS 60 -8.545 11.220 4.620 457 H GLY 61 H GLY 61 -3.830 4.972 4.714 458 HA2 GLY 61 HA2 GLY 61 -1.991 6.631 6.035 459 HA3 GLY 61 HA3 GLY 61 -1.730 4.940 5.577 460 H ILE 62 H ILE 62 -1.662 4.963 2.825 461 HA ILE 62 HA ILE 62 0.915 6.131 2.458 462 HB ILE 62 HB ILE 62 -0.319 4.111 1.482 463 HG12 ILE 62 HG12 ILE 62 2.050 4.357 1.320 464 HG13 ILE 62 HG13 ILE 62 1.447 3.853 -0.246 465 HG21 ILE 62 HG21 ILE 62 -0.681 5.827 -0.934 466 HG22 ILE 62 HG22 ILE 62 -0.962 4.087 -0.799 467 HG23 ILE 62 HG23 ILE 62 -1.976 5.197 0.122 468 HD11 ILE 62 HD11 ILE 62 2.436 6.613 0.523 469 HD12 ILE 62 HD12 ILE 62 3.145 5.486 -0.623 470 HD13 ILE 62 HD13 ILE 62 1.606 6.268 -1.018 471 H LEU 63 H LEU 63 -2.359 7.147 1.302 472 HA LEU 63 HA LEU 63 -1.218 9.281 -0.291 473 HB2 LEU 63 HB2 LEU 63 -3.985 8.640 0.722 474 HB3 LEU 63 HB3 LEU 63 -3.627 10.283 0.230 475 HG LEU 63 HG LEU 63 -2.866 9.534 -1.991 476 HD11 LEU 63 HD11 LEU 63 -3.494 7.247 -2.778 477 HD12 LEU 63 HD12 LEU 63 -3.861 6.792 -1.103 478 HD13 LEU 63 HD13 LEU 63 -2.203 7.240 -1.580 479 HD21 LEU 63 HD21 LEU 63 -5.666 8.690 -1.168 480 HD22 LEU 63 HD22 LEU 63 -5.141 8.946 -2.839 481 HD23 LEU 63 HD23 LEU 63 -5.145 10.305 -1.701 482 H ASP 64 H ASP 64 -2.104 8.941 3.102 483 HA ASP 64 HA ASP 64 -1.887 11.807 3.724 484 HB2 ASP 64 HB2 ASP 64 -3.218 10.294 5.084 485 HB3 ASP 64 HB3 ASP 64 -1.765 9.341 5.501 486 H HIS 65 H HIS 65 0.249 9.060 3.882 487 HA HIS 65 HA HIS 65 2.466 10.201 5.227 488 HB2 HIS 65 HB2 HIS 65 2.088 7.781 5.056 489 HB3 HIS 65 HB3 HIS 65 2.235 7.847 3.304 490 HD1 HIS 65 HD1 HIS 65 4.622 9.148 6.120 491 HD2 HIS 65 HD2 HIS 65 4.430 6.723 2.662 492 HE1 HIS 65 HE1 HIS 65 6.961 8.170 5.776 493 H ARG 66 H ARG 66 1.923 9.504 1.691 494 HA ARG 66 HA ARG 66 4.315 10.925 0.998 495 HB2 ARG 66 HB2 ARG 66 3.677 10.666 -1.288 496 HB3 ARG 66 HB3 ARG 66 3.330 9.189 -0.417 497 HG2 ARG 66 HG2 ARG 66 1.403 9.291 -1.631 498 HG3 ARG 66 HG3 ARG 66 0.879 10.242 -0.243 499 HD2 ARG 66 HD2 ARG 66 0.166 11.401 -2.179 500 HD3 ARG 66 HD3 ARG 66 1.509 12.319 -1.483 501 HE ARG 66 HE ARG 66 2.299 10.392 -3.554 502 HH11 ARG 66 HH11 ARG 66 1.328 13.824 -2.974 503 HH12 ARG 66 HH12 ARG 66 2.224 14.344 -4.382 504 HH21 ARG 66 HH21 ARG 66 3.428 11.234 -5.335 505 HH22 ARG 66 HH22 ARG 66 3.343 12.940 -5.669 506 H GLN 67 H GLN 67 0.935 11.989 1.616 507 HA GLN 67 HA GLN 67 1.522 14.589 0.401 508 HB2 GLN 67 HB2 GLN 67 -0.737 13.631 2.148 509 HB3 GLN 67 HB3 GLN 67 -0.624 15.280 1.538 510 HG2 GLN 67 HG2 GLN 67 -0.510 12.917 -0.377 511 HG3 GLN 67 HG3 GLN 67 -2.038 13.564 0.191 512 HE21 GLN 67 HE21 GLN 67 -2.553 15.787 -0.335 513 HE22 GLN 67 HE22 GLN 67 -1.925 16.526 -1.787 514 H LEU 68 H LEU 68 1.957 13.261 3.695 515 HA LEU 68 HA LEU 68 2.534 15.921 4.815 516 HB2 LEU 68 HB2 LEU 68 2.557 13.093 5.933 517 HB3 LEU 68 HB3 LEU 68 3.151 14.465 6.859 518 HG LEU 68 HG LEU 68 0.310 14.310 5.778 519 HD11 LEU 68 HD11 LEU 68 -0.329 13.659 8.054 520 HD12 LEU 68 HD12 LEU 68 1.368 13.738 8.590 521 HD13 LEU 68 HD13 LEU 68 0.832 12.511 7.422 522 HD21 LEU 68 HD21 LEU 68 1.073 16.629 6.208 523 HD22 LEU 68 HD22 LEU 68 1.599 16.161 7.833 524 HD23 LEU 68 HD23 LEU 68 -0.116 16.133 7.399 525 H HIS 69 H HIS 69 4.409 12.939 4.104 526 HA HIS 69 HA HIS 69 6.550 12.403 4.273 527 HB2 HIS 69 HB2 HIS 69 6.198 13.523 2.098 528 HB3 HIS 69 HB3 HIS 69 6.800 15.016 2.802 529 HD1 HIS 69 HD1 HIS 69 8.473 11.498 3.248 530 HD2 HIS 69 HD2 HIS 69 9.005 15.223 1.355 531 HE1 HIS 69 HE1 HIS 69 10.749 11.423 2.158 532 H ASP 70 H ASP 70 5.784 13.276 6.615 533 HA ASP 70 HA ASP 70 7.368 15.360 7.841 534 HB2 ASP 70 HB2 ASP 70 6.251 14.780 9.785 535 HB3 ASP 70 HB3 ASP 70 5.031 14.532 8.529 Start of MODEL 19 1 H1 GLY 1 H GLY 1 12.928 -19.194 2.900 2 HA2 GLY 1 HA2 GLY 1 12.778 -19.975 0.560 3 HA3 GLY 1 HA3 GLY 1 11.316 -18.975 0.416 4 HA PRO 2 HA PRO 2 14.974 -16.395 -0.905 5 HB2 PRO 2 HB2 PRO 2 13.783 -15.233 -3.108 6 HB3 PRO 2 HB3 PRO 2 14.626 -16.797 -3.142 7 HG2 PRO 2 HG2 PRO 2 11.679 -16.297 -3.021 8 HG3 PRO 2 HG3 PRO 2 12.570 -17.551 -3.922 9 HD2 PRO 2 HD2 PRO 2 11.260 -17.960 -1.512 10 HD3 PRO 2 HD3 PRO 2 12.658 -18.926 -2.060 11 H LEU 3 H LEU 3 14.894 -15.007 0.858 12 HA LEU 3 HA LEU 3 13.013 -12.725 0.702 13 HB2 LEU 3 HB2 LEU 3 12.258 -14.584 2.301 14 HB3 LEU 3 HB3 LEU 3 13.667 -14.238 3.274 15 HG LEU 3 HG LEU 3 11.696 -13.223 4.189 16 HD11 LEU 3 HD11 LEU 3 13.290 -10.908 3.048 17 HD12 LEU 3 HD12 LEU 3 13.803 -11.913 4.432 18 HD13 LEU 3 HD13 LEU 3 12.323 -10.951 4.535 19 HD21 LEU 3 HD21 LEU 3 10.321 -11.594 3.102 20 HD22 LEU 3 HD22 LEU 3 10.399 -13.079 2.125 21 HD23 LEU 3 HD23 LEU 3 11.334 -11.627 1.641 22 H GLY 4 H GLY 4 14.766 -11.488 -0.145 23 HA2 GLY 4 HA2 GLY 4 16.306 -10.056 1.657 24 HA3 GLY 4 HA3 GLY 4 17.340 -11.401 1.152 25 H SER 5 H SER 5 15.971 -8.336 0.220 26 HA SER 5 HA SER 5 17.666 -8.174 -2.118 27 HB2 SER 5 HB2 SER 5 14.636 -7.972 -2.356 28 HB3 SER 5 HB3 SER 5 15.781 -7.410 -3.590 29 HG SER 5 HG SER 5 15.708 -10.051 -2.552 30 H THR 6 H THR 6 17.364 -5.770 -2.950 31 HA THR 6 HA THR 6 16.729 -3.982 -0.665 32 HB THR 6 HB THR 6 19.041 -2.945 -1.994 33 HG1 THR 6 HG1 THR 6 19.428 -5.235 -2.507 34 HG21 THR 6 HG21 THR 6 18.713 -4.205 0.760 35 HG22 THR 6 HG22 THR 6 18.339 -2.521 0.330 36 HG23 THR 6 HG23 THR 6 20.007 -3.103 0.255 37 H ASP 7 H ASP 7 14.842 -3.415 -1.588 38 HA ASP 7 HA ASP 7 14.857 -1.343 -3.572 39 HB2 ASP 7 HB2 ASP 7 14.831 -3.237 -5.145 40 HB3 ASP 7 HB3 ASP 7 13.532 -4.009 -4.225 41 H CYS 8 H CYS 8 13.075 -0.053 -3.124 42 HA CYS 8 HA CYS 8 11.576 -0.557 -0.693 43 HB2 CYS 8 HB2 CYS 8 11.384 1.532 -2.910 44 HB3 CYS 8 HB3 CYS 8 10.307 1.526 -1.513 45 HG CYS 8 HG CYS 8 13.519 1.159 -0.993 46 H SER 9 H SER 9 9.568 -1.512 -0.462 47 HA SER 9 HA SER 9 7.714 -1.779 -2.688 48 HB2 SER 9 HB2 SER 9 9.057 -4.190 -1.397 49 HB3 SER 9 HB3 SER 9 7.558 -4.273 -2.354 50 HG SER 9 HG SER 9 9.529 -2.827 -3.591 51 H ILE 10 H ILE 10 5.623 -2.750 -1.796 52 HA ILE 10 HA ILE 10 4.879 -1.335 0.478 53 HB ILE 10 HB ILE 10 3.650 -3.143 -1.366 54 HG12 ILE 10 HG12 ILE 10 3.350 -0.706 -1.159 55 HG13 ILE 10 HG13 ILE 10 1.853 -1.622 -1.293 56 HG21 ILE 10 HG21 ILE 10 3.152 -4.671 0.512 57 HG22 ILE 10 HG22 ILE 10 2.333 -3.366 1.354 58 HG23 ILE 10 HG23 ILE 10 1.704 -3.951 -0.200 59 HD11 ILE 10 HD11 ILE 10 2.322 0.308 0.602 60 HD12 ILE 10 HD12 ILE 10 1.149 -1.019 0.780 61 HD13 ILE 10 HD13 ILE 10 2.746 -1.141 1.513 62 H VAL 11 H VAL 11 6.448 -4.479 0.482 63 HA VAL 11 HA VAL 11 5.527 -5.353 3.015 64 HB VAL 11 HB VAL 11 7.849 -6.405 3.151 65 HG11 VAL 11 HG11 VAL 11 7.222 -8.137 1.500 66 HG12 VAL 11 HG12 VAL 11 5.810 -7.581 2.402 67 HG13 VAL 11 HG13 VAL 11 6.076 -7.014 0.738 68 HG21 VAL 11 HG21 VAL 11 9.168 -6.614 1.125 69 HG22 VAL 11 HG22 VAL 11 8.071 -5.568 0.218 70 HG23 VAL 11 HG23 VAL 11 9.072 -4.911 1.543 71 H SER 12 H SER 12 8.242 -3.117 2.234 72 HA SER 12 HA SER 12 9.003 -2.691 4.943 73 HB2 SER 12 HB2 SER 12 10.258 -2.252 2.740 74 HB3 SER 12 HB3 SER 12 9.317 -0.765 2.603 75 HG SER 12 HG SER 12 11.381 -0.533 3.565 76 H PHE 13 H PHE 13 6.705 -1.037 2.762 77 HA PHE 13 HA PHE 13 6.157 1.160 4.555 78 HB2 PHE 13 HB2 PHE 13 5.546 1.162 2.132 79 HB3 PHE 13 HB3 PHE 13 4.295 -0.025 2.468 80 HD1 PHE 13 HD1 PHE 13 2.061 0.813 2.903 81 HD2 PHE 13 HD2 PHE 13 5.463 3.372 3.559 82 HE1 PHE 13 HE1 PHE 13 0.528 2.739 3.311 83 HE2 PHE 13 HE2 PHE 13 3.941 5.269 4.001 84 HZ PHE 13 HZ PHE 13 1.493 4.954 3.931 85 H PHE 14 H PHE 14 4.526 -1.987 4.011 86 HA PHE 14 HA PHE 14 2.590 -1.717 6.071 87 HB2 PHE 14 HB2 PHE 14 3.784 -4.028 4.524 88 HB3 PHE 14 HB3 PHE 14 2.726 -4.335 5.862 89 HD1 PHE 14 HD1 PHE 14 1.352 -5.517 4.061 90 HD2 PHE 14 HD2 PHE 14 1.850 -1.226 4.123 91 HE1 PHE 14 HE1 PHE 14 -0.668 -5.229 2.632 92 HE2 PHE 14 HE2 PHE 14 -0.145 -0.940 2.849 93 HZ PHE 14 HZ PHE 14 -1.453 -2.923 2.045 94 H ALA 15 H ALA 15 5.924 -2.977 6.186 95 HA ALA 15 HA ALA 15 5.798 -3.892 8.851 96 HB1 ALA 15 HB1 ALA 15 7.662 -4.388 7.259 97 HB2 ALA 15 HB2 ALA 15 8.224 -2.703 7.420 98 HB3 ALA 15 HB3 ALA 15 8.220 -3.788 8.822 99 H ARG 16 H ARG 16 6.349 -0.616 7.533 100 HA ARG 16 HA ARG 16 6.905 0.526 10.181 101 HB2 ARG 16 HB2 ARG 16 6.231 1.819 7.490 102 HB3 ARG 16 HB3 ARG 16 6.620 2.703 8.972 103 HG2 ARG 16 HG2 ARG 16 8.775 1.352 9.092 104 HG3 ARG 16 HG3 ARG 16 8.451 0.782 7.460 105 HD2 ARG 16 HD2 ARG 16 8.817 3.656 8.343 106 HD3 ARG 16 HD3 ARG 16 9.989 2.675 7.473 107 HE ARG 16 HE ARG 16 8.726 2.786 5.506 108 HH11 ARG 16 HH11 ARG 16 7.416 4.920 8.045 109 HH12 ARG 16 HH12 ARG 16 6.725 6.057 6.938 110 HH21 ARG 16 HH21 ARG 16 7.904 4.301 4.065 111 HH22 ARG 16 HH22 ARG 16 7.177 5.764 4.591 112 H LEU 17 H LEU 17 4.097 0.152 8.127 113 HA LEU 17 HA LEU 17 2.287 1.823 9.705 114 HB2 LEU 17 HB2 LEU 17 1.644 -0.595 7.955 115 HB3 LEU 17 HB3 LEU 17 0.432 0.384 8.752 116 HG LEU 17 HG LEU 17 2.309 1.332 6.586 117 HD11 LEU 17 HD11 LEU 17 -0.680 0.766 6.576 118 HD12 LEU 17 HD12 LEU 17 0.569 -0.217 5.801 119 HD13 LEU 17 HD13 LEU 17 0.240 1.427 5.222 120 HD21 LEU 17 HD21 LEU 17 0.040 2.801 8.008 121 HD22 LEU 17 HD22 LEU 17 0.869 3.385 6.548 122 HD23 LEU 17 HD23 LEU 17 1.753 3.226 8.067 123 H GLY 18 H GLY 18 3.166 -1.637 9.804 124 HA2 GLY 18 HA2 GLY 18 3.365 -2.703 11.925 125 HA3 GLY 18 HA3 GLY 18 1.880 -1.917 12.463 126 H CYS 19 H CYS 19 1.594 -2.843 9.170 127 HA CYS 19 HA CYS 19 -0.491 -4.683 9.730 128 HB2 CYS 19 HB2 CYS 19 1.242 -4.637 7.245 129 HB3 CYS 19 HB3 CYS 19 -0.405 -5.247 7.348 130 HG CYS 19 HG CYS 19 -0.070 -2.957 5.949 131 H SER 20 H SER 20 -0.583 -7.012 9.291 132 HA SER 20 HA SER 20 2.030 -8.449 9.409 133 HB2 SER 20 HB2 SER 20 1.247 -8.386 11.691 134 HB3 SER 20 HB3 SER 20 -0.361 -8.971 11.216 135 HG SER 20 HG SER 20 1.319 -10.609 11.965 136 H SER 21 H SER 21 -1.181 -9.934 9.602 137 HA SER 21 HA SER 21 -0.860 -11.732 7.608 138 HB2 SER 21 HB2 SER 21 -3.595 -10.585 8.137 139 HB3 SER 21 HB3 SER 21 -3.074 -12.271 8.028 140 HG SER 21 HG SER 21 -1.980 -11.957 10.053 141 H CYS 22 H CYS 22 -1.932 -8.367 7.162 142 HA CYS 22 HA CYS 22 -2.905 -8.853 4.496 143 HB2 CYS 22 HB2 CYS 22 -1.940 -6.210 5.704 144 HB3 CYS 22 HB3 CYS 22 -2.891 -6.440 4.214 145 HG CYS 22 HG CYS 22 -4.645 -5.654 5.848 146 H LEU 23 H LEU 23 0.372 -8.416 5.736 147 HA LEU 23 HA LEU 23 1.475 -7.625 3.172 148 HB2 LEU 23 HB2 LEU 23 3.488 -7.513 4.212 149 HB3 LEU 23 HB3 LEU 23 2.470 -7.376 5.618 150 HG LEU 23 HG LEU 23 2.844 -10.011 5.806 151 HD11 LEU 23 HD11 LEU 23 5.058 -10.730 5.027 152 HD12 LEU 23 HD12 LEU 23 5.323 -9.165 4.235 153 HD13 LEU 23 HD13 LEU 23 4.087 -10.282 3.633 154 HD21 LEU 23 HD21 LEU 23 5.053 -8.050 6.463 155 HD22 LEU 23 HD22 LEU 23 4.801 -9.662 7.188 156 HD23 LEU 23 HD23 LEU 23 3.613 -8.385 7.450 157 H ASP 24 H ASP 24 0.983 -10.625 4.997 158 HA ASP 24 HA ASP 24 2.222 -12.487 3.306 159 HB2 ASP 24 HB2 ASP 24 1.328 -12.813 5.632 160 HB3 ASP 24 HB3 ASP 24 -0.309 -12.878 4.985 161 H TYR 25 H TYR 25 -1.135 -11.318 3.336 162 HA TYR 25 HA TYR 25 -2.071 -12.871 1.151 163 HB2 TYR 25 HB2 TYR 25 -2.968 -10.104 2.031 164 HB3 TYR 25 HB3 TYR 25 -3.900 -11.205 1.033 165 HD1 TYR 25 HD1 TYR 25 -4.887 -9.897 3.558 166 HD2 TYR 25 HD2 TYR 25 -2.934 -13.722 2.979 167 HE1 TYR 25 HE1 TYR 25 -5.824 -10.729 5.710 168 HE2 TYR 25 HE2 TYR 25 -3.854 -14.519 5.078 169 HH TYR 25 HH TYR 25 -4.775 -13.831 7.090 170 H PHE 26 H PHE 26 -0.875 -9.477 1.223 171 HA PHE 26 HA PHE 26 -0.955 -9.015 -1.516 172 HB2 PHE 26 HB2 PHE 26 0.344 -7.812 0.869 173 HB3 PHE 26 HB3 PHE 26 1.245 -7.574 -0.597 174 HD1 PHE 26 HD1 PHE 26 0.401 -6.264 -2.445 175 HD2 PHE 26 HD2 PHE 26 -2.042 -6.904 1.031 176 HE1 PHE 26 HE1 PHE 26 -1.124 -4.505 -3.232 177 HE2 PHE 26 HE2 PHE 26 -3.619 -5.186 0.200 178 HZ PHE 26 HZ PHE 26 -3.215 -4.036 -1.954 179 H THR 27 H THR 27 1.831 -10.352 0.353 180 HA THR 27 HA THR 27 3.589 -10.420 -1.895 181 HB THR 27 HB THR 27 4.976 -11.904 -0.461 182 HG1 THR 27 HG1 THR 27 4.302 -12.474 1.507 183 HG21 THR 27 HG21 THR 27 5.359 -10.246 1.383 184 HG22 THR 27 HG22 THR 27 3.921 -9.358 0.875 185 HG23 THR 27 HG23 THR 27 5.305 -9.511 -0.230 186 H THR 28 H THR 28 1.328 -12.819 -0.527 187 HA THR 28 HA THR 28 2.190 -14.948 -2.262 188 HB THR 28 HB THR 28 -0.539 -14.580 -0.950 189 HG1 THR 28 HG1 THR 28 1.090 -14.416 0.597 190 HG21 THR 28 HG21 THR 28 -0.578 -17.043 -0.943 191 HG22 THR 28 HG22 THR 28 1.023 -17.104 -1.705 192 HG23 THR 28 HG23 THR 28 -0.364 -16.476 -2.611 193 H GLN 29 H GLN 29 -0.242 -12.279 -2.607 194 HA GLN 29 HA GLN 29 -1.211 -13.252 -5.157 195 HB2 GLN 29 HB2 GLN 29 -1.483 -10.578 -3.716 196 HB3 GLN 29 HB3 GLN 29 -2.305 -11.022 -5.231 197 HG2 GLN 29 HG2 GLN 29 -3.382 -12.955 -4.134 198 HG3 GLN 29 HG3 GLN 29 -2.628 -12.524 -2.600 199 HE21 GLN 29 HE21 GLN 29 -4.612 -12.133 -1.402 200 HE22 GLN 29 HE22 GLN 29 -5.723 -10.879 -1.901 201 H GLY 30 H GLY 30 1.520 -11.468 -4.120 202 HA2 GLY 30 HA2 GLY 30 3.384 -10.665 -5.148 203 HA3 GLY 30 HA3 GLY 30 2.891 -11.525 -6.612 204 H LEU 31 H LEU 31 1.059 -9.004 -4.988 205 HA LEU 31 HA LEU 31 1.549 -7.107 -7.250 206 HB2 LEU 31 HB2 LEU 31 -0.904 -6.427 -6.846 207 HB3 LEU 31 HB3 LEU 31 -0.537 -7.886 -7.731 208 HG LEU 31 HG LEU 31 -0.988 -9.258 -5.734 209 HD11 LEU 31 HD11 LEU 31 -2.224 -8.209 -3.805 210 HD12 LEU 31 HD12 LEU 31 -1.728 -6.622 -4.440 211 HD13 LEU 31 HD13 LEU 31 -0.511 -7.806 -3.896 212 HD21 LEU 31 HD21 LEU 31 -3.401 -8.998 -5.703 213 HD22 LEU 31 HD22 LEU 31 -2.723 -8.944 -7.327 214 HD23 LEU 31 HD23 LEU 31 -3.244 -7.428 -6.550 215 H THR 32 H THR 32 2.708 -7.331 -4.439 216 HA THR 32 HA THR 32 1.798 -4.809 -3.195 217 HB THR 32 HB THR 32 2.422 -6.024 -1.410 218 HG1 THR 32 HG1 THR 32 4.582 -6.027 -0.815 219 HG21 THR 32 HG21 THR 32 2.673 -8.146 -2.605 220 HG22 THR 32 HG22 THR 32 3.917 -7.986 -1.374 221 HG23 THR 32 HG23 THR 32 4.308 -7.698 -3.085 222 H THR 33 H THR 33 2.496 -2.833 -3.931 223 HA THR 33 HA THR 33 5.269 -2.475 -4.478 224 HB THR 33 HB THR 33 5.007 -2.914 -6.640 225 HG1 THR 33 HG1 THR 33 4.672 -1.217 -7.810 226 HG21 THR 33 HG21 THR 33 1.948 -2.622 -6.422 227 HG22 THR 33 HG22 THR 33 2.908 -4.108 -6.619 228 HG23 THR 33 HG23 THR 33 2.806 -2.971 -7.922 229 H ILE 34 H ILE 34 5.654 -0.180 -4.340 230 HA ILE 34 HA ILE 34 3.682 1.175 -2.604 231 HB ILE 34 HB ILE 34 6.349 2.315 -3.529 232 HG12 ILE 34 HG12 ILE 34 5.696 0.343 -1.329 233 HG13 ILE 34 HG13 ILE 34 6.976 0.299 -2.555 234 HG21 ILE 34 HG21 ILE 34 4.684 3.917 -2.543 235 HG22 ILE 34 HG22 ILE 34 4.631 2.925 -1.073 236 HG23 ILE 34 HG23 ILE 34 6.126 3.758 -1.574 237 HD11 ILE 34 HD11 ILE 34 8.050 2.254 -1.335 238 HD12 ILE 34 HD12 ILE 34 6.857 1.969 -0.034 239 HD13 ILE 34 HD13 ILE 34 8.023 0.715 -0.457 240 H TYR 35 H TYR 35 5.343 2.043 -5.615 241 HA TYR 35 HA TYR 35 3.972 4.408 -6.167 242 HB2 TYR 35 HB2 TYR 35 5.131 2.613 -8.300 243 HB3 TYR 35 HB3 TYR 35 5.177 4.367 -8.176 244 HD1 TYR 35 HD1 TYR 35 6.812 1.212 -7.304 245 HD2 TYR 35 HD2 TYR 35 6.667 5.417 -6.337 246 HE1 TYR 35 HE1 TYR 35 8.876 0.976 -5.995 247 HE2 TYR 35 HE2 TYR 35 8.803 5.188 -5.084 248 HH TYR 35 HH TYR 35 10.644 2.138 -5.001 249 H GLN 36 H GLN 36 3.033 1.135 -6.729 250 HA GLN 36 HA GLN 36 1.069 1.768 -8.826 251 HB2 GLN 36 HB2 GLN 36 1.718 -0.689 -7.188 252 HB3 GLN 36 HB3 GLN 36 0.357 -0.668 -8.298 253 HG2 GLN 36 HG2 GLN 36 3.229 -0.070 -9.145 254 HG3 GLN 36 HG3 GLN 36 2.385 -1.600 -9.406 255 HE21 GLN 36 HE21 GLN 36 3.551 0.105 -11.477 256 HE22 GLN 36 HE22 GLN 36 2.212 0.429 -12.555 257 H ILE 37 H ILE 37 0.766 0.763 -5.332 258 HA ILE 37 HA ILE 37 -2.032 1.227 -5.246 259 HB ILE 37 HB ILE 37 -1.786 1.242 -2.847 260 HG12 ILE 37 HG12 ILE 37 1.200 0.982 -3.244 261 HG13 ILE 37 HG13 ILE 37 0.444 2.523 -2.915 262 HG21 ILE 37 HG21 ILE 37 -1.981 -0.851 -3.984 263 HG22 ILE 37 HG22 ILE 37 -0.211 -0.979 -4.158 264 HG23 ILE 37 HG23 ILE 37 -0.964 -1.013 -2.549 265 HD11 ILE 37 HD11 ILE 37 0.247 0.168 -1.069 266 HD12 ILE 37 HD12 ILE 37 1.392 1.530 -0.948 267 HD13 ILE 37 HD13 ILE 37 -0.349 1.827 -0.798 268 H GLU 38 H GLU 38 0.479 3.523 -5.506 269 HA GLU 38 HA GLU 38 -0.831 5.648 -4.029 270 HB2 GLU 38 HB2 GLU 38 1.692 5.224 -4.406 271 HB3 GLU 38 HB3 GLU 38 1.462 5.925 -6.013 272 HG2 GLU 38 HG2 GLU 38 0.813 8.030 -5.056 273 HG3 GLU 38 HG3 GLU 38 0.582 7.318 -3.451 274 H HIS 39 H HIS 39 -1.110 4.220 -7.176 275 HA HIS 39 HA HIS 39 -2.747 6.503 -8.187 276 HB2 HIS 39 HB2 HIS 39 -0.699 6.091 -9.495 277 HB3 HIS 39 HB3 HIS 39 -1.184 4.405 -9.721 278 HD1 HIS 39 HD1 HIS 39 -3.625 7.407 -10.220 279 HD2 HIS 39 HD2 HIS 39 -1.623 4.340 -12.279 280 HE1 HIS 39 HE1 HIS 39 -4.385 7.549 -12.639 281 H TYR 40 H TYR 40 -2.675 3.098 -7.357 282 HA TYR 40 HA TYR 40 -5.209 2.451 -8.678 283 HB2 TYR 40 HB2 TYR 40 -3.434 1.000 -6.680 284 HB3 TYR 40 HB3 TYR 40 -5.032 0.424 -7.065 285 HD1 TYR 40 HD1 TYR 40 -1.796 -0.588 -7.694 286 HD2 TYR 40 HD2 TYR 40 -5.354 0.640 -9.908 287 HE1 TYR 40 HE1 TYR 40 -1.118 -1.916 -9.610 288 HE2 TYR 40 HE2 TYR 40 -4.623 -0.705 -11.808 289 HH TYR 40 HH TYR 40 -1.456 -2.265 -11.947 290 H SER 41 H SER 41 -6.839 3.760 -7.948 291 HA SER 41 HA SER 41 -6.992 4.905 -5.369 292 HB2 SER 41 HB2 SER 41 -9.144 4.493 -7.470 293 HB3 SER 41 HB3 SER 41 -9.199 5.650 -6.122 294 HG SER 41 HG SER 41 -8.374 6.196 -8.425 295 H MET 42 H MET 42 -9.182 4.641 -4.057 296 HA MET 42 HA MET 42 -9.132 2.026 -2.939 297 HB2 MET 42 HB2 MET 42 -11.093 4.337 -2.653 298 HB3 MET 42 HB3 MET 42 -11.374 2.773 -1.872 299 HG2 MET 42 HG2 MET 42 -9.024 2.896 -0.938 300 HG3 MET 42 HG3 MET 42 -8.996 4.573 -1.473 301 HE1 MET 42 HE1 MET 42 -11.313 6.425 0.906 302 HE2 MET 42 HE2 MET 42 -10.070 6.506 -0.345 303 HE3 MET 42 HE3 MET 42 -11.695 5.925 -0.757 304 H ASP 43 H ASP 43 -10.986 3.307 -5.638 305 HA ASP 43 HA ASP 43 -13.019 1.310 -5.809 306 HB2 ASP 43 HB2 ASP 43 -13.158 3.333 -7.125 307 HB3 ASP 43 HB3 ASP 43 -11.603 3.008 -7.907 308 H ASP 44 H ASP 44 -9.669 1.468 -7.094 309 HA ASP 44 HA ASP 44 -9.700 -0.986 -8.539 310 HB2 ASP 44 HB2 ASP 44 -7.438 0.656 -7.302 311 HB3 ASP 44 HB3 ASP 44 -7.156 -0.872 -8.111 312 H LEU 45 H LEU 45 -8.510 -0.109 -5.310 313 HA LEU 45 HA LEU 45 -7.656 -2.678 -4.471 314 HB2 LEU 45 HB2 LEU 45 -8.785 -0.400 -2.814 315 HB3 LEU 45 HB3 LEU 45 -7.937 -1.817 -2.169 316 HG LEU 45 HG LEU 45 -6.695 0.270 -4.007 317 HD11 LEU 45 HD11 LEU 45 -5.413 0.840 -1.926 318 HD12 LEU 45 HD12 LEU 45 -6.454 -0.239 -1.001 319 HD13 LEU 45 HD13 LEU 45 -7.139 1.201 -1.802 320 HD21 LEU 45 HD21 LEU 45 -4.574 -0.845 -3.441 321 HD22 LEU 45 HD22 LEU 45 -5.643 -1.937 -4.304 322 HD23 LEU 45 HD23 LEU 45 -5.461 -2.109 -2.543 323 H ALA 46 H ALA 46 -10.893 -1.168 -4.121 324 HA ALA 46 HA ALA 46 -12.055 -3.369 -2.698 325 HB1 ALA 46 HB1 ALA 46 -13.149 -1.184 -2.809 326 HB2 ALA 46 HB2 ALA 46 -13.345 -1.340 -4.571 327 HB3 ALA 46 HB3 ALA 46 -14.217 -2.433 -3.475 328 H SER 47 H SER 47 -11.733 -2.651 -6.222 329 HA SER 47 HA SER 47 -13.159 -4.954 -7.045 330 HB2 SER 47 HB2 SER 47 -12.410 -2.815 -8.393 331 HB3 SER 47 HB3 SER 47 -10.923 -3.733 -8.707 332 HG SER 47 HG SER 47 -12.211 -4.414 -10.319 333 H LEU 48 H LEU 48 -9.854 -4.500 -6.001 334 HA LEU 48 HA LEU 48 -8.859 -7.109 -6.841 335 HB2 LEU 48 HB2 LEU 48 -7.732 -4.875 -5.112 336 HB3 LEU 48 HB3 LEU 48 -6.860 -6.352 -5.448 337 HG LEU 48 HG LEU 48 -7.908 -4.625 -7.717 338 HD11 LEU 48 HD11 LEU 48 -5.197 -4.407 -6.373 339 HD12 LEU 48 HD12 LEU 48 -6.475 -3.177 -6.333 340 HD13 LEU 48 HD13 LEU 48 -5.695 -3.577 -7.865 341 HD21 LEU 48 HD21 LEU 48 -7.220 -6.927 -8.257 342 HD22 LEU 48 HD22 LEU 48 -5.641 -6.622 -7.516 343 HD23 LEU 48 HD23 LEU 48 -6.134 -5.736 -8.982 344 H LYS 49 H LYS 49 -11.179 -6.592 -4.757 345 HA LYS 49 HA LYS 49 -12.141 -7.725 -3.102 346 HB2 LYS 49 HB2 LYS 49 -9.932 -9.817 -3.298 347 HB3 LYS 49 HB3 LYS 49 -11.445 -9.937 -2.429 348 HG2 LYS 49 HG2 LYS 49 -12.053 -11.069 -4.279 349 HG3 LYS 49 HG3 LYS 49 -12.571 -9.456 -4.758 350 HD2 LYS 49 HD2 LYS 49 -10.478 -9.232 -6.127 351 HD3 LYS 49 HD3 LYS 49 -9.933 -10.805 -5.524 352 HE2 LYS 49 HE2 LYS 49 -10.860 -11.115 -7.723 353 HE3 LYS 49 HE3 LYS 49 -11.948 -11.862 -6.543 354 HZ1 LYS 49 HZ1 LYS 49 -13.375 -9.922 -6.722 355 HZ2 LYS 49 HZ2 LYS 49 -13.155 -10.595 -8.175 356 HZ3 LYS 49 HZ3 LYS 49 -12.349 -9.217 -7.815 357 H ILE 50 H ILE 50 -9.859 -5.715 -2.633 358 HA ILE 50 HA ILE 50 -8.832 -6.570 -0.049 359 HB ILE 50 HB ILE 50 -8.783 -3.792 -1.252 360 HG12 ILE 50 HG12 ILE 50 -7.629 -5.439 -2.758 361 HG13 ILE 50 HG13 ILE 50 -6.508 -4.312 -2.025 362 HG21 ILE 50 HG21 ILE 50 -7.093 -5.112 0.886 363 HG22 ILE 50 HG22 ILE 50 -6.888 -3.446 0.292 364 HG23 ILE 50 HG23 ILE 50 -8.323 -3.947 1.221 365 HD11 ILE 50 HD11 ILE 50 -5.713 -6.000 -0.464 366 HD12 ILE 50 HD12 ILE 50 -6.989 -7.130 -0.951 367 HD13 ILE 50 HD13 ILE 50 -5.707 -6.702 -2.081 368 HA PRO 51 HA PRO 51 -12.772 -5.666 1.823 369 HB2 PRO 51 HB2 PRO 51 -12.120 -6.064 4.483 370 HB3 PRO 51 HB3 PRO 51 -12.387 -7.380 3.304 371 HG2 PRO 51 HG2 PRO 51 -9.785 -6.198 4.248 372 HG3 PRO 51 HG3 PRO 51 -10.209 -7.922 4.011 373 HD2 PRO 51 HD2 PRO 51 -8.810 -6.456 2.162 374 HD3 PRO 51 HD3 PRO 51 -9.927 -7.744 1.667 375 H GLU 52 H GLU 52 -13.734 -3.814 2.351 376 HA GLU 52 HA GLU 52 -12.695 -1.383 2.263 377 HB2 GLU 52 HB2 GLU 52 -14.650 -0.492 3.354 378 HB3 GLU 52 HB3 GLU 52 -15.034 -1.748 2.184 379 HG2 GLU 52 HG2 GLU 52 -15.543 -3.352 3.909 380 HG3 GLU 52 HG3 GLU 52 -14.932 -2.285 5.179 381 H GLN 53 H GLN 53 -12.973 -3.044 5.434 382 HA GLN 53 HA GLN 53 -12.131 -0.941 7.057 383 HB2 GLN 53 HB2 GLN 53 -11.299 -2.795 8.588 384 HB3 GLN 53 HB3 GLN 53 -12.991 -2.839 8.134 385 HG2 GLN 53 HG2 GLN 53 -11.223 -4.485 6.358 386 HG3 GLN 53 HG3 GLN 53 -11.235 -4.967 8.033 387 HE21 GLN 53 HE21 GLN 53 -12.985 -6.096 8.783 388 HE22 GLN 53 HE22 GLN 53 -14.558 -6.208 7.997 389 H PHE 54 H PHE 54 -10.058 -3.412 5.508 390 HA PHE 54 HA PHE 54 -7.600 -2.151 6.471 391 HB2 PHE 54 HB2 PHE 54 -7.534 -4.487 6.464 392 HB3 PHE 54 HB3 PHE 54 -8.355 -4.607 4.916 393 HD1 PHE 54 HD1 PHE 54 -7.213 -4.916 2.999 394 HD2 PHE 54 HD2 PHE 54 -5.140 -3.269 6.369 395 HE1 PHE 54 HE1 PHE 54 -5.052 -5.086 1.758 396 HE2 PHE 54 HE2 PHE 54 -2.982 -3.397 5.135 397 HZ PHE 54 HZ PHE 54 -2.963 -4.314 2.807 398 H ARG 55 H ARG 55 -9.313 -2.619 3.344 399 HA ARG 55 HA ARG 55 -7.599 -1.481 1.530 400 HB2 ARG 55 HB2 ARG 55 -9.823 -2.580 1.146 401 HB3 ARG 55 HB3 ARG 55 -10.629 -1.174 1.779 402 HG2 ARG 55 HG2 ARG 55 -8.751 -0.590 -0.430 403 HG3 ARG 55 HG3 ARG 55 -10.072 -1.683 -0.884 404 HD2 ARG 55 HD2 ARG 55 -10.418 1.052 0.387 405 HD3 ARG 55 HD3 ARG 55 -10.562 0.696 -1.336 406 HE ARG 55 HE ARG 55 -12.383 -0.999 -0.531 407 HH11 ARG 55 HH11 ARG 55 -11.946 2.403 0.568 408 HH12 ARG 55 HH12 ARG 55 -13.618 2.500 1.041 409 HH21 ARG 55 HH21 ARG 55 -14.586 -0.676 0.003 410 HH22 ARG 55 HH22 ARG 55 -15.069 0.900 0.617 411 H HIS 56 H HIS 56 -10.079 0.301 3.485 412 HA HIS 56 HA HIS 56 -9.253 2.888 2.554 413 HB2 HIS 56 HB2 HIS 56 -11.468 2.339 3.587 414 HB3 HIS 56 HB3 HIS 56 -10.662 2.045 5.132 415 HD1 HIS 56 HD1 HIS 56 -9.869 4.286 6.501 416 HD2 HIS 56 HD2 HIS 56 -11.748 4.881 2.768 417 HE1 HIS 56 HE1 HIS 56 -10.267 6.789 6.281 418 H ALA 57 H ALA 57 -7.996 0.740 5.171 419 HA ALA 57 HA ALA 57 -6.668 2.826 6.559 420 HB1 ALA 57 HB1 ALA 57 -5.878 -0.112 6.497 421 HB2 ALA 57 HB2 ALA 57 -5.509 1.082 7.739 422 HB3 ALA 57 HB3 ALA 57 -7.183 0.539 7.513 423 H ILE 58 H ILE 58 -5.473 0.425 4.075 424 HA ILE 58 HA ILE 58 -2.840 1.472 4.135 425 HB ILE 58 HB ILE 58 -3.035 -0.665 3.332 426 HG12 ILE 58 HG12 ILE 58 -2.138 -0.699 1.144 427 HG13 ILE 58 HG13 ILE 58 -2.960 0.782 0.655 428 HG21 ILE 58 HG21 ILE 58 -5.144 0.059 1.277 429 HG22 ILE 58 HG22 ILE 58 -4.337 -1.502 1.430 430 HG23 ILE 58 HG23 ILE 58 -5.357 -0.951 2.726 431 HD11 ILE 58 HD11 ILE 58 -0.973 1.090 2.871 432 HD12 ILE 58 HD12 ILE 58 -0.319 0.635 1.289 433 HD13 ILE 58 HD13 ILE 58 -1.254 2.105 1.433 434 H TRP 59 H TRP 59 -5.594 1.999 1.904 435 HA TRP 59 HA TRP 59 -4.236 3.868 0.324 436 HB2 TRP 59 HB2 TRP 59 -6.578 2.704 0.035 437 HB3 TRP 59 HB3 TRP 59 -7.185 4.212 0.720 438 HD1 TRP 59 HD1 TRP 59 -4.960 2.908 -2.185 439 HE1 TRP 59 HE1 TRP 59 -4.994 4.557 -4.107 440 HE3 TRP 59 HE3 TRP 59 -7.797 6.516 -0.015 441 HZ2 TRP 59 HZ2 TRP 59 -6.341 7.087 -4.752 442 HZ3 TRP 59 HZ3 TRP 59 -8.555 8.504 -1.338 443 HH2 TRP 59 HH2 TRP 59 -7.836 8.775 -3.707 444 H LYS 60 H LYS 60 -6.319 4.590 3.205 445 HA LYS 60 HA LYS 60 -5.831 7.351 3.185 446 HB2 LYS 60 HB2 LYS 60 -7.488 6.313 4.672 447 HB3 LYS 60 HB3 LYS 60 -6.208 5.431 5.524 448 HG2 LYS 60 HG2 LYS 60 -6.986 7.253 6.881 449 HG3 LYS 60 HG3 LYS 60 -5.308 7.527 6.433 450 HD2 LYS 60 HD2 LYS 60 -6.063 9.154 4.673 451 HD3 LYS 60 HD3 LYS 60 -7.742 8.807 5.109 452 HE2 LYS 60 HE2 LYS 60 -7.160 10.841 6.206 453 HE3 LYS 60 HE3 LYS 60 -7.250 9.591 7.451 454 HZ1 LYS 60 HZ1 LYS 60 -5.298 11.047 7.671 455 HZ2 LYS 60 HZ2 LYS 60 -4.759 10.590 6.207 456 HZ3 LYS 60 HZ3 LYS 60 -4.819 9.499 7.451 457 H GLY 61 H GLY 61 -3.783 4.682 4.476 458 HA2 GLY 61 HA2 GLY 61 -1.933 6.268 5.858 459 HA3 GLY 61 HA3 GLY 61 -1.615 4.646 5.196 460 H ILE 62 H ILE 62 -1.652 4.989 2.471 461 HA ILE 62 HA ILE 62 0.891 6.364 2.187 462 HB ILE 62 HB ILE 62 0.270 4.393 1.032 463 HG12 ILE 62 HG12 ILE 62 1.038 6.678 -0.862 464 HG13 ILE 62 HG13 ILE 62 2.117 5.976 0.341 465 HG21 ILE 62 HG21 ILE 62 -2.037 4.873 0.282 466 HG22 ILE 62 HG22 ILE 62 -1.387 6.031 -0.906 467 HG23 ILE 62 HG23 ILE 62 -1.010 4.317 -1.036 468 HD11 ILE 62 HD11 ILE 62 0.972 4.546 -2.081 469 HD12 ILE 62 HD12 ILE 62 2.636 5.065 -1.847 470 HD13 ILE 62 HD13 ILE 62 1.977 3.776 -0.820 471 H LEU 63 H LEU 63 -2.426 7.096 1.239 472 HA LEU 63 HA LEU 63 -1.872 9.522 -0.152 473 HB2 LEU 63 HB2 LEU 63 -4.287 8.470 1.346 474 HB3 LEU 63 HB3 LEU 63 -4.268 10.130 0.830 475 HG LEU 63 HG LEU 63 -5.431 8.525 -0.705 476 HD11 LEU 63 HD11 LEU 63 -4.822 10.794 -1.371 477 HD12 LEU 63 HD12 LEU 63 -4.650 9.657 -2.732 478 HD13 LEU 63 HD13 LEU 63 -3.214 10.235 -1.867 479 HD21 LEU 63 HD21 LEU 63 -2.608 7.782 -1.588 480 HD22 LEU 63 HD22 LEU 63 -4.092 7.387 -2.442 481 HD23 LEU 63 HD23 LEU 63 -3.805 6.672 -0.862 482 H ASP 64 H ASP 64 -2.128 8.721 3.189 483 HA ASP 64 HA ASP 64 -2.067 11.441 4.311 484 HB2 ASP 64 HB2 ASP 64 -3.084 9.763 5.634 485 HB3 ASP 64 HB3 ASP 64 -1.702 8.689 5.493 486 H HIS 65 H HIS 65 0.295 9.057 3.393 487 HA HIS 65 HA HIS 65 2.501 10.165 4.899 488 HB2 HIS 65 HB2 HIS 65 2.723 7.878 4.271 489 HB3 HIS 65 HB3 HIS 65 2.396 8.228 2.572 490 HD1 HIS 65 HD1 HIS 65 5.160 9.837 4.895 491 HD2 HIS 65 HD2 HIS 65 4.482 7.972 1.168 492 HE1 HIS 65 HE1 HIS 65 7.324 9.967 3.637 493 H ARG 66 H ARG 66 1.439 10.412 1.502 494 HA ARG 66 HA ARG 66 3.541 12.392 0.987 495 HB2 ARG 66 HB2 ARG 66 2.572 12.955 -1.081 496 HB3 ARG 66 HB3 ARG 66 2.574 11.211 -0.934 497 HG2 ARG 66 HG2 ARG 66 -0.006 12.465 -0.052 498 HG3 ARG 66 HG3 ARG 66 0.444 12.899 -1.700 499 HD2 ARG 66 HD2 ARG 66 0.268 10.243 -0.374 500 HD3 ARG 66 HD3 ARG 66 -0.995 10.924 -1.410 501 HE ARG 66 HE ARG 66 1.451 9.613 -2.377 502 HH11 ARG 66 HH11 ARG 66 -1.094 11.955 -3.212 503 HH12 ARG 66 HH12 ARG 66 -0.610 12.134 -4.848 504 HH21 ARG 66 HH21 ARG 66 2.245 10.011 -4.456 505 HH22 ARG 66 HH22 ARG 66 1.322 10.932 -5.623 506 H GLN 67 H GLN 67 0.101 12.523 1.932 507 HA GLN 67 HA GLN 67 -0.008 15.384 1.789 508 HB2 GLN 67 HB2 GLN 67 -1.945 13.965 1.688 509 HB3 GLN 67 HB3 GLN 67 -1.633 13.358 3.326 510 HG2 GLN 67 HG2 GLN 67 -3.465 14.866 3.310 511 HG3 GLN 67 HG3 GLN 67 -2.126 15.487 4.268 512 HE21 GLN 67 HE21 GLN 67 -0.910 17.369 3.418 513 HE22 GLN 67 HE22 GLN 67 -1.685 18.472 2.311 514 H LEU 68 H LEU 68 1.570 13.366 4.180 515 HA LEU 68 HA LEU 68 1.607 15.612 6.101 516 HB2 LEU 68 HB2 LEU 68 2.024 14.161 7.735 517 HB3 LEU 68 HB3 LEU 68 1.209 13.100 6.619 518 HG LEU 68 HG LEU 68 3.640 12.417 5.844 519 HD11 LEU 68 HD11 LEU 68 4.133 13.740 8.530 520 HD12 LEU 68 HD12 LEU 68 5.047 13.963 7.031 521 HD13 LEU 68 HD13 LEU 68 5.173 12.452 7.939 522 HD21 LEU 68 HD21 LEU 68 1.991 10.968 6.971 523 HD22 LEU 68 HD22 LEU 68 2.502 11.609 8.539 524 HD23 LEU 68 HD23 LEU 68 3.643 10.680 7.533 525 H HIS 69 H HIS 69 3.623 13.918 3.747 526 HA HIS 69 HA HIS 69 6.075 15.312 4.502 527 HB2 HIS 69 HB2 HIS 69 5.689 12.914 3.390 528 HB3 HIS 69 HB3 HIS 69 5.656 13.837 1.891 529 HD1 HIS 69 HD1 HIS 69 8.172 14.961 1.210 530 HD2 HIS 69 HD2 HIS 69 7.888 12.687 4.776 531 HE1 HIS 69 HE1 HIS 69 10.536 14.461 1.942 532 H ASP 70 H ASP 70 7.184 16.330 2.286 533 HA ASP 70 HA ASP 70 5.412 17.797 0.552 534 HB2 ASP 70 HB2 ASP 70 6.875 19.182 2.834 535 HB3 ASP 70 HB3 ASP 70 6.633 19.995 1.294 Start of MODEL 20 1 H1 GLY 1 H GLY 1 17.679 -13.125 15.691 2 HA2 GLY 1 HA2 GLY 1 19.902 -12.258 15.564 3 HA3 GLY 1 HA3 GLY 1 19.564 -13.102 14.037 4 HA PRO 2 HA PRO 2 20.726 -8.817 12.833 5 HB2 PRO 2 HB2 PRO 2 21.916 -9.376 10.447 6 HB3 PRO 2 HB3 PRO 2 22.747 -9.620 12.014 7 HG2 PRO 2 HG2 PRO 2 21.412 -11.685 10.261 8 HG3 PRO 2 HG3 PRO 2 22.948 -11.815 11.165 9 HD2 PRO 2 HD2 PRO 2 20.473 -12.775 12.016 10 HD3 PRO 2 HD3 PRO 2 21.826 -12.382 13.127 11 H LEU 3 H LEU 3 18.959 -7.717 12.170 12 HA LEU 3 HA LEU 3 17.114 -8.863 10.118 13 HB2 LEU 3 HB2 LEU 3 16.763 -7.068 12.518 14 HB3 LEU 3 HB3 LEU 3 15.740 -6.781 11.120 15 HG LEU 3 HG LEU 3 14.971 -9.127 11.147 16 HD11 LEU 3 HD11 LEU 3 15.304 -10.512 13.184 17 HD12 LEU 3 HD12 LEU 3 16.488 -9.326 13.777 18 HD13 LEU 3 HD13 LEU 3 16.810 -10.269 12.295 19 HD21 LEU 3 HD21 LEU 3 13.683 -7.354 12.293 20 HD22 LEU 3 HD22 LEU 3 14.563 -7.694 13.798 21 HD23 LEU 3 HD23 LEU 3 13.508 -8.941 13.061 22 H GLY 4 H GLY 4 16.055 -6.692 8.947 23 HA2 GLY 4 HA2 GLY 4 18.061 -4.690 8.300 24 HA3 GLY 4 HA3 GLY 4 17.832 -5.875 7.008 25 H SER 5 H SER 5 15.621 -6.115 6.100 26 HA SER 5 HA SER 5 13.784 -5.207 5.128 27 HB2 SER 5 HB2 SER 5 13.341 -4.136 7.937 28 HB3 SER 5 HB3 SER 5 12.118 -4.210 6.674 29 HG SER 5 HG SER 5 12.529 -5.996 8.375 30 H THR 6 H THR 6 15.817 -3.870 4.209 31 HA THR 6 HA THR 6 15.250 -0.957 4.516 32 HB THR 6 HB THR 6 17.672 -1.960 3.070 33 HG1 THR 6 HG1 THR 6 17.750 -3.239 4.873 34 HG21 THR 6 HG21 THR 6 18.700 0.026 4.108 35 HG22 THR 6 HG22 THR 6 17.250 0.292 5.096 36 HG23 THR 6 HG23 THR 6 17.188 0.478 3.332 37 H ASP 7 H ASP 7 14.296 -3.494 2.597 38 HA ASP 7 HA ASP 7 14.727 -2.526 -0.019 39 HB2 ASP 7 HB2 ASP 7 13.398 -4.319 -0.700 40 HB3 ASP 7 HB3 ASP 7 14.326 -4.886 0.683 41 H CYS 8 H CYS 8 13.661 -1.191 -1.291 42 HA CYS 8 HA CYS 8 11.468 0.424 -0.234 43 HB2 CYS 8 HB2 CYS 8 12.882 0.402 -2.939 44 HB3 CYS 8 HB3 CYS 8 11.587 1.522 -2.479 45 HG CYS 8 HG CYS 8 13.297 3.054 -2.077 46 H SER 9 H SER 9 9.642 -0.830 -0.067 47 HA SER 9 HA SER 9 8.103 -1.494 -2.424 48 HB2 SER 9 HB2 SER 9 9.252 -3.694 -0.657 49 HB3 SER 9 HB3 SER 9 7.853 -3.951 -1.724 50 HG SER 9 HG SER 9 10.008 -2.800 -2.952 51 H ILE 10 H ILE 10 5.933 -2.555 -1.655 52 HA ILE 10 HA ILE 10 4.859 -1.000 0.434 53 HB ILE 10 HB ILE 10 3.977 -3.157 -1.338 54 HG12 ILE 10 HG12 ILE 10 3.525 -0.766 -1.560 55 HG13 ILE 10 HG13 ILE 10 2.085 -1.788 -1.676 56 HG21 ILE 10 HG21 ILE 10 2.424 -2.954 1.264 57 HG22 ILE 10 HG22 ILE 10 1.873 -3.756 -0.214 58 HG23 ILE 10 HG23 ILE 10 3.284 -4.372 0.646 59 HD11 ILE 10 HD11 ILE 10 2.809 -0.579 0.992 60 HD12 ILE 10 HD12 ILE 10 2.177 0.483 -0.240 61 HD13 ILE 10 HD13 ILE 10 1.213 -0.909 0.311 62 H VAL 11 H VAL 11 6.495 -4.108 0.592 63 HA VAL 11 HA VAL 11 5.487 -4.985 3.057 64 HB VAL 11 HB VAL 11 7.843 -5.931 3.412 65 HG11 VAL 11 HG11 VAL 11 6.227 -6.648 0.921 66 HG12 VAL 11 HG12 VAL 11 7.395 -7.719 1.731 67 HG13 VAL 11 HG13 VAL 11 5.915 -7.232 2.577 68 HG21 VAL 11 HG21 VAL 11 9.032 -4.384 1.813 69 HG22 VAL 11 HG22 VAL 11 9.289 -6.105 1.509 70 HG23 VAL 11 HG23 VAL 11 8.174 -5.208 0.481 71 H SER 12 H SER 12 8.076 -2.592 2.499 72 HA SER 12 HA SER 12 8.701 -2.218 5.234 73 HB2 SER 12 HB2 SER 12 9.994 -1.470 3.142 74 HB3 SER 12 HB3 SER 12 8.841 -0.134 3.031 75 HG SER 12 HG SER 12 10.577 -0.728 5.205 76 H PHE 13 H PHE 13 6.260 -0.671 3.086 77 HA PHE 13 HA PHE 13 5.436 1.280 5.056 78 HB2 PHE 13 HB2 PHE 13 5.065 1.696 2.722 79 HB3 PHE 13 HB3 PHE 13 4.119 0.234 2.548 80 HD1 PHE 13 HD1 PHE 13 1.754 0.423 2.573 81 HD2 PHE 13 HD2 PHE 13 4.124 3.468 4.502 82 HE1 PHE 13 HE1 PHE 13 -0.293 1.737 3.022 83 HE2 PHE 13 HE2 PHE 13 2.038 4.748 4.982 84 HZ PHE 13 HZ PHE 13 -0.164 3.805 4.311 85 H PHE 14 H PHE 14 4.022 -1.928 4.066 86 HA PHE 14 HA PHE 14 1.891 -1.881 5.896 87 HB2 PHE 14 HB2 PHE 14 3.393 -3.933 4.323 88 HB3 PHE 14 HB3 PHE 14 2.418 -4.520 5.656 89 HD1 PHE 14 HD1 PHE 14 0.796 -5.729 4.469 90 HD2 PHE 14 HD2 PHE 14 1.519 -1.604 3.450 91 HE1 PHE 14 HE1 PHE 14 -1.179 -5.736 2.966 92 HE2 PHE 14 HE2 PHE 14 -0.436 -1.622 1.966 93 HZ PHE 14 HZ PHE 14 -1.794 -3.709 1.714 94 H ALA 15 H ALA 15 5.291 -2.943 6.240 95 HA ALA 15 HA ALA 15 5.025 -4.065 8.841 96 HB1 ALA 15 HB1 ALA 15 6.969 -4.576 7.532 97 HB2 ALA 15 HB2 ALA 15 7.395 -2.869 7.362 98 HB3 ALA 15 HB3 ALA 15 7.510 -3.658 8.949 99 H ARG 16 H ARG 16 5.554 -0.663 7.702 100 HA ARG 16 HA ARG 16 5.991 0.396 10.365 101 HB2 ARG 16 HB2 ARG 16 4.894 1.720 7.826 102 HB3 ARG 16 HB3 ARG 16 5.139 2.586 9.319 103 HG2 ARG 16 HG2 ARG 16 7.458 1.059 8.141 104 HG3 ARG 16 HG3 ARG 16 6.967 2.596 7.422 105 HD2 ARG 16 HD2 ARG 16 7.343 3.795 9.484 106 HD3 ARG 16 HD3 ARG 16 7.524 2.284 10.396 107 HE ARG 16 HE ARG 16 9.666 2.126 9.812 108 HH11 ARG 16 HH11 ARG 16 8.232 4.546 7.581 109 HH12 ARG 16 HH12 ARG 16 9.703 4.813 6.723 110 HH21 ARG 16 HH21 ARG 16 11.609 2.549 8.693 111 HH22 ARG 16 HH22 ARG 16 11.667 3.723 7.421 112 H LEU 17 H LEU 17 3.019 -0.071 8.374 113 HA LEU 17 HA LEU 17 1.260 1.072 10.367 114 HB2 LEU 17 HB2 LEU 17 0.467 -1.085 8.390 115 HB3 LEU 17 HB3 LEU 17 -0.574 0.096 9.178 116 HG LEU 17 HG LEU 17 1.432 0.566 6.971 117 HD11 LEU 17 HD11 LEU 17 -0.585 -0.404 6.145 118 HD12 LEU 17 HD12 LEU 17 -0.567 1.301 5.686 119 HD13 LEU 17 HD13 LEU 17 -1.591 0.761 7.039 120 HD21 LEU 17 HD21 LEU 17 -0.183 2.594 8.563 121 HD22 LEU 17 HD22 LEU 17 0.558 2.961 6.974 122 HD23 LEU 17 HD23 LEU 17 1.562 2.518 8.368 123 H GLY 18 H GLY 18 2.795 -2.077 10.091 124 HA2 GLY 18 HA2 GLY 18 3.037 -3.650 11.740 125 HA3 GLY 18 HA3 GLY 18 1.725 -2.911 12.678 126 H CYS 19 H CYS 19 1.738 -3.856 9.199 127 HA CYS 19 HA CYS 19 -0.808 -5.158 9.559 128 HB2 CYS 19 HB2 CYS 19 1.088 -5.279 7.177 129 HB3 CYS 19 HB3 CYS 19 -0.607 -5.780 7.166 130 HG CYS 19 HG CYS 19 0.607 -2.799 7.839 131 H SER 20 H SER 20 -1.196 -7.508 8.977 132 HA SER 20 HA SER 20 1.159 -9.284 9.375 133 HB2 SER 20 HB2 SER 20 -0.012 -9.128 11.472 134 HB3 SER 20 HB3 SER 20 -1.556 -9.481 10.698 135 HG SER 20 HG SER 20 -0.633 -11.317 11.689 136 H SER 21 H SER 21 -2.020 -10.671 8.926 137 HA SER 21 HA SER 21 -1.392 -12.184 6.752 138 HB2 SER 21 HB2 SER 21 -4.189 -11.108 7.246 139 HB3 SER 21 HB3 SER 21 -3.708 -12.680 6.584 140 HG SER 21 HG SER 21 -2.671 -13.052 8.683 141 H CYS 22 H CYS 22 -2.480 -8.804 6.615 142 HA CYS 22 HA CYS 22 -3.253 -8.765 3.884 143 HB2 CYS 22 HB2 CYS 22 -1.907 -6.484 5.397 144 HB3 CYS 22 HB3 CYS 22 -3.071 -6.364 4.075 145 HG CYS 22 HG CYS 22 -5.115 -7.250 5.251 146 H LEU 23 H LEU 23 -0.060 -8.585 5.424 147 HA LEU 23 HA LEU 23 1.333 -7.662 3.097 148 HB2 LEU 23 HB2 LEU 23 3.108 -7.531 4.457 149 HB3 LEU 23 HB3 LEU 23 1.902 -7.590 5.694 150 HG LEU 23 HG LEU 23 2.505 -10.209 5.710 151 HD11 LEU 23 HD11 LEU 23 4.955 -10.512 5.218 152 HD12 LEU 23 HD12 LEU 23 4.999 -8.893 4.505 153 HD13 LEU 23 HD13 LEU 23 4.042 -10.175 3.742 154 HD21 LEU 23 HD21 LEU 23 2.840 -8.623 7.551 155 HD22 LEU 23 HD22 LEU 23 4.325 -8.018 6.785 156 HD23 LEU 23 HD23 LEU 23 4.241 -9.694 7.387 157 H ASP 24 H ASP 24 0.508 -10.748 4.539 158 HA ASP 24 HA ASP 24 2.073 -12.500 2.928 159 HB2 ASP 24 HB2 ASP 24 1.184 -13.255 4.974 160 HB3 ASP 24 HB3 ASP 24 -0.466 -12.932 4.486 161 H TYR 25 H TYR 25 -1.389 -11.460 2.696 162 HA TYR 25 HA TYR 25 -1.976 -12.803 0.294 163 HB2 TYR 25 HB2 TYR 25 -2.992 -10.103 1.237 164 HB3 TYR 25 HB3 TYR 25 -3.791 -11.130 0.025 165 HD1 TYR 25 HD1 TYR 25 -4.807 -9.915 2.765 166 HD2 TYR 25 HD2 TYR 25 -3.475 -13.846 1.557 167 HE1 TYR 25 HE1 TYR 25 -5.989 -10.901 4.693 168 HE2 TYR 25 HE2 TYR 25 -4.707 -14.848 3.439 169 HH TYR 25 HH TYR 25 -5.548 -14.304 5.622 170 H PHE 26 H PHE 26 -0.738 -9.405 0.726 171 HA PHE 26 HA PHE 26 -0.590 -8.825 -1.999 172 HB2 PHE 26 HB2 PHE 26 0.425 -7.726 0.557 173 HB3 PHE 26 HB3 PHE 26 1.462 -7.369 -0.758 174 HD1 PHE 26 HD1 PHE 26 0.380 -6.389 -2.978 175 HD2 PHE 26 HD2 PHE 26 -1.570 -6.489 0.876 176 HE1 PHE 26 HE1 PHE 26 -1.318 -4.796 -3.787 177 HE2 PHE 26 HE2 PHE 26 -3.223 -4.838 0.085 178 HZ PHE 26 HZ PHE 26 -3.129 -4.009 -2.250 179 H THR 27 H THR 27 1.917 -10.355 0.045 180 HA THR 27 HA THR 27 3.835 -10.391 -2.146 181 HB THR 27 HB THR 27 4.513 -10.176 0.188 182 HG1 THR 27 HG1 THR 27 6.170 -11.880 0.042 183 HG21 THR 27 HG21 THR 27 4.681 -11.993 1.724 184 HG22 THR 27 HG22 THR 27 3.941 -13.137 0.561 185 HG23 THR 27 HG23 THR 27 3.014 -11.789 1.251 186 H THR 28 H THR 28 1.396 -12.712 -0.900 187 HA THR 28 HA THR 28 2.355 -14.897 -2.441 188 HB THR 28 HB THR 28 0.413 -14.530 -0.499 189 HG1 THR 28 HG1 THR 28 0.175 -16.676 -0.593 190 HG21 THR 28 HG21 THR 28 -1.670 -15.509 -1.254 191 HG22 THR 28 HG22 THR 28 -1.120 -15.475 -2.940 192 HG23 THR 28 HG23 THR 28 -1.405 -13.955 -2.042 193 H GLN 29 H GLN 29 0.135 -12.152 -3.200 194 HA GLN 29 HA GLN 29 -0.667 -13.245 -5.735 195 HB2 GLN 29 HB2 GLN 29 -0.827 -10.575 -4.284 196 HB3 GLN 29 HB3 GLN 29 -1.472 -10.825 -5.915 197 HG2 GLN 29 HG2 GLN 29 -2.336 -12.691 -3.694 198 HG3 GLN 29 HG3 GLN 29 -3.077 -11.101 -3.889 199 HE21 GLN 29 HE21 GLN 29 -3.820 -14.248 -4.719 200 HE22 GLN 29 HE22 GLN 29 -4.569 -13.870 -6.274 201 H GLY 30 H GLY 30 2.011 -11.251 -4.608 202 HA2 GLY 30 HA2 GLY 30 3.946 -10.668 -5.688 203 HA3 GLY 30 HA3 GLY 30 3.395 -11.521 -7.136 204 H LEU 31 H LEU 31 1.684 -8.876 -5.470 205 HA LEU 31 HA LEU 31 2.279 -6.973 -7.724 206 HB2 LEU 31 HB2 LEU 31 -0.246 -6.390 -7.535 207 HB3 LEU 31 HB3 LEU 31 0.234 -7.829 -8.418 208 HG LEU 31 HG LEU 31 -0.371 -9.232 -6.576 209 HD11 LEU 31 HD11 LEU 31 -1.164 -6.733 -5.069 210 HD12 LEU 31 HD12 LEU 31 0.050 -7.941 -4.566 211 HD13 LEU 31 HD13 LEU 31 -1.662 -8.364 -4.587 212 HD21 LEU 31 HD21 LEU 31 -2.054 -8.549 -8.192 213 HD22 LEU 31 HD22 LEU 31 -2.579 -7.262 -7.092 214 HD23 LEU 31 HD23 LEU 31 -2.735 -8.984 -6.606 215 H THR 32 H THR 32 3.261 -7.109 -4.931 216 HA THR 32 HA THR 32 1.855 -4.958 -3.481 217 HB THR 32 HB THR 32 2.448 -6.897 -2.387 218 HG1 THR 32 HG1 THR 32 3.674 -6.310 -0.743 219 HG21 THR 32 HG21 THR 32 4.680 -7.861 -2.048 220 HG22 THR 32 HG22 THR 32 5.248 -6.882 -3.416 221 HG23 THR 32 HG23 THR 32 3.959 -8.105 -3.610 222 H THR 33 H THR 33 2.199 -2.802 -4.052 223 HA THR 33 HA THR 33 4.941 -1.939 -4.207 224 HB THR 33 HB THR 33 4.932 -2.364 -6.444 225 HG1 THR 33 HG1 THR 33 5.077 -0.288 -6.572 226 HG21 THR 33 HG21 THR 33 2.872 -2.417 -7.937 227 HG22 THR 33 HG22 THR 33 1.860 -2.314 -6.468 228 HG23 THR 33 HG23 THR 33 2.960 -3.679 -6.727 229 H ILE 34 H ILE 34 5.182 0.254 -3.944 230 HA ILE 34 HA ILE 34 2.953 1.554 -2.559 231 HB ILE 34 HB ILE 34 5.612 2.909 -3.095 232 HG12 ILE 34 HG12 ILE 34 5.027 0.722 -1.109 233 HG13 ILE 34 HG13 ILE 34 6.444 0.976 -2.140 234 HG21 ILE 34 HG21 ILE 34 3.664 3.123 -0.767 235 HG22 ILE 34 HG22 ILE 34 5.020 4.210 -1.169 236 HG23 ILE 34 HG23 ILE 34 3.592 4.174 -2.198 237 HD11 ILE 34 HD11 ILE 34 7.122 2.867 -0.651 238 HD12 ILE 34 HD12 ILE 34 5.708 2.513 0.388 239 HD13 ILE 34 HD13 ILE 34 6.963 1.309 0.209 240 H TYR 35 H TYR 35 4.990 2.179 -5.351 241 HA TYR 35 HA TYR 35 3.922 4.557 -6.270 242 HB2 TYR 35 HB2 TYR 35 5.017 2.443 -8.101 243 HB3 TYR 35 HB3 TYR 35 5.215 4.184 -8.202 244 HD1 TYR 35 HD1 TYR 35 7.307 1.828 -8.303 245 HD2 TYR 35 HD2 TYR 35 6.124 4.557 -5.162 246 HE1 TYR 35 HE1 TYR 35 9.450 1.449 -7.164 247 HE2 TYR 35 HE2 TYR 35 8.221 4.086 -3.961 248 HH TYR 35 HH TYR 35 10.805 2.017 -5.365 249 H GLN 36 H GLN 36 2.703 1.323 -6.563 250 HA GLN 36 HA GLN 36 0.847 2.052 -8.742 251 HB2 GLN 36 HB2 GLN 36 1.374 -0.445 -7.144 252 HB3 GLN 36 HB3 GLN 36 -0.057 -0.306 -8.130 253 HG2 GLN 36 HG2 GLN 36 2.777 -0.071 -9.161 254 HG3 GLN 36 HG3 GLN 36 1.646 -1.401 -9.475 255 HE21 GLN 36 HE21 GLN 36 -0.545 -0.675 -10.574 256 HE22 GLN 36 HE22 GLN 36 -0.431 0.602 -11.759 257 H ILE 37 H ILE 37 0.467 1.183 -5.215 258 HA ILE 37 HA ILE 37 -2.312 1.750 -5.292 259 HB ILE 37 HB ILE 37 -2.273 1.822 -2.901 260 HG12 ILE 37 HG12 ILE 37 0.748 1.606 -3.111 261 HG13 ILE 37 HG13 ILE 37 -0.109 3.084 -2.657 262 HG21 ILE 37 HG21 ILE 37 -2.293 -0.308 -4.166 263 HG22 ILE 37 HG22 ILE 37 -0.522 -0.416 -3.977 264 HG23 ILE 37 HG23 ILE 37 -1.587 -0.475 -2.562 265 HD11 ILE 37 HD11 ILE 37 -0.032 0.463 -1.169 266 HD12 ILE 37 HD12 ILE 37 0.670 2.030 -0.688 267 HD13 ILE 37 HD13 ILE 37 -1.094 1.830 -0.721 268 H GLU 38 H GLU 38 0.405 3.888 -5.264 269 HA GLU 38 HA GLU 38 -0.743 6.240 -4.240 270 HB2 GLU 38 HB2 GLU 38 1.659 5.405 -5.501 271 HB3 GLU 38 HB3 GLU 38 1.037 6.624 -6.571 272 HG2 GLU 38 HG2 GLU 38 1.512 6.924 -3.565 273 HG3 GLU 38 HG3 GLU 38 2.607 7.465 -4.833 274 H HIS 39 H HIS 39 -1.221 4.586 -7.348 275 HA HIS 39 HA HIS 39 -3.064 6.771 -8.226 276 HB2 HIS 39 HB2 HIS 39 -1.086 6.513 -9.613 277 HB3 HIS 39 HB3 HIS 39 -1.431 4.797 -9.831 278 HD1 HIS 39 HD1 HIS 39 -4.129 7.572 -10.215 279 HD2 HIS 39 HD2 HIS 39 -1.855 4.751 -12.338 280 HE1 HIS 39 HE1 HIS 39 -5.115 7.500 -12.547 281 H TYR 40 H TYR 40 -2.835 3.329 -7.451 282 HA TYR 40 HA TYR 40 -5.370 2.612 -8.691 283 HB2 TYR 40 HB2 TYR 40 -3.749 1.255 -6.488 284 HB3 TYR 40 HB3 TYR 40 -5.272 0.672 -7.042 285 HD1 TYR 40 HD1 TYR 40 -2.086 -0.482 -7.131 286 HD2 TYR 40 HD2 TYR 40 -5.152 0.823 -9.970 287 HE1 TYR 40 HE1 TYR 40 -1.350 -2.131 -8.740 288 HE2 TYR 40 HE2 TYR 40 -4.287 -0.794 -11.606 289 HH TYR 40 HH TYR 40 -2.702 -2.549 -12.011 290 H SER 41 H SER 41 -7.168 3.754 -8.036 291 HA SER 41 HA SER 41 -7.382 4.834 -5.359 292 HB2 SER 41 HB2 SER 41 -9.412 4.632 -7.602 293 HB3 SER 41 HB3 SER 41 -9.546 5.648 -6.153 294 HG SER 41 HG SER 41 -8.648 6.520 -8.274 295 H MET 42 H MET 42 -9.662 4.406 -4.257 296 HA MET 42 HA MET 42 -9.581 1.918 -3.122 297 HB2 MET 42 HB2 MET 42 -11.686 2.374 -2.117 298 HB3 MET 42 HB3 MET 42 -10.684 3.828 -2.105 299 HG2 MET 42 HG2 MET 42 -12.030 4.842 -3.831 300 HG3 MET 42 HG3 MET 42 -12.844 3.316 -4.181 301 HE1 MET 42 HE1 MET 42 -15.988 4.881 -2.811 302 HE2 MET 42 HE2 MET 42 -14.848 5.299 -4.109 303 HE3 MET 42 HE3 MET 42 -15.318 3.606 -3.849 304 H ASP 43 H ASP 43 -10.998 2.472 -6.251 305 HA ASP 43 HA ASP 43 -12.919 0.279 -6.150 306 HB2 ASP 43 HB2 ASP 43 -11.606 1.682 -8.507 307 HB3 ASP 43 HB3 ASP 43 -12.807 0.413 -8.665 308 H ASP 44 H ASP 44 -9.572 0.667 -7.439 309 HA ASP 44 HA ASP 44 -9.314 -2.027 -8.312 310 HB2 ASP 44 HB2 ASP 44 -7.698 0.259 -8.418 311 HB3 ASP 44 HB3 ASP 44 -6.791 -0.829 -7.387 312 H LEU 45 H LEU 45 -8.411 -0.369 -5.290 313 HA LEU 45 HA LEU 45 -7.295 -2.606 -3.948 314 HB2 LEU 45 HB2 LEU 45 -8.570 -0.055 -2.948 315 HB3 LEU 45 HB3 LEU 45 -8.130 -1.340 -1.830 316 HG LEU 45 HG LEU 45 -5.810 -1.229 -2.422 317 HD11 LEU 45 HD11 LEU 45 -5.885 -0.564 -4.794 318 HD12 LEU 45 HD12 LEU 45 -4.893 0.565 -3.875 319 HD13 LEU 45 HD13 LEU 45 -6.549 1.019 -4.340 320 HD21 LEU 45 HD21 LEU 45 -6.991 1.511 -1.786 321 HD22 LEU 45 HD22 LEU 45 -5.290 1.063 -1.598 322 HD23 LEU 45 HD23 LEU 45 -6.500 0.252 -0.638 323 H ALA 46 H ALA 46 -10.760 -1.552 -4.205 324 HA ALA 46 HA ALA 46 -11.764 -3.624 -2.500 325 HB1 ALA 46 HB1 ALA 46 -13.160 -2.242 -4.854 326 HB2 ALA 46 HB2 ALA 46 -13.932 -3.207 -3.577 327 HB3 ALA 46 HB3 ALA 46 -13.135 -1.686 -3.168 328 H SER 47 H SER 47 -11.306 -3.579 -6.126 329 HA SER 47 HA SER 47 -12.230 -6.261 -6.512 330 HB2 SER 47 HB2 SER 47 -10.421 -4.434 -8.114 331 HB3 SER 47 HB3 SER 47 -11.017 -6.006 -8.717 332 HG SER 47 HG SER 47 -12.175 -3.790 -9.008 333 H LEU 48 H LEU 48 -9.201 -5.031 -5.301 334 HA LEU 48 HA LEU 48 -7.760 -7.536 -5.823 335 HB2 LEU 48 HB2 LEU 48 -6.983 -4.845 -4.688 336 HB3 LEU 48 HB3 LEU 48 -5.888 -6.221 -4.599 337 HG LEU 48 HG LEU 48 -7.095 -5.279 -7.254 338 HD11 LEU 48 HD11 LEU 48 -5.779 -3.451 -6.343 339 HD12 LEU 48 HD12 LEU 48 -4.928 -4.196 -7.679 340 HD13 LEU 48 HD13 LEU 48 -4.404 -4.571 -6.031 341 HD21 LEU 48 HD21 LEU 48 -6.308 -7.549 -7.425 342 HD22 LEU 48 HD22 LEU 48 -4.834 -7.177 -6.516 343 HD23 LEU 48 HD23 LEU 48 -5.072 -6.524 -8.149 344 H LYS 49 H LYS 49 -10.122 -7.147 -3.876 345 HA LYS 49 HA LYS 49 -10.898 -8.243 -2.084 346 HB2 LYS 49 HB2 LYS 49 -8.240 -9.685 -1.782 347 HB3 LYS 49 HB3 LYS 49 -9.743 -10.069 -0.999 348 HG2 LYS 49 HG2 LYS 49 -9.424 -11.675 -2.648 349 HG3 LYS 49 HG3 LYS 49 -10.780 -10.668 -3.167 350 HD2 LYS 49 HD2 LYS 49 -9.478 -9.666 -4.910 351 HD3 LYS 49 HD3 LYS 49 -7.951 -10.152 -4.155 352 HE2 LYS 49 HE2 LYS 49 -8.326 -11.452 -6.120 353 HE3 LYS 49 HE3 LYS 49 -8.372 -12.487 -4.685 354 HZ1 LYS 49 HZ1 LYS 49 -10.819 -11.381 -5.895 355 HZ2 LYS 49 HZ2 LYS 49 -10.716 -12.606 -4.838 356 HZ3 LYS 49 HZ3 LYS 49 -10.175 -12.811 -6.385 357 H ILE 50 H ILE 50 -9.459 -5.610 -1.863 358 HA ILE 50 HA ILE 50 -8.590 -5.787 0.966 359 HB ILE 50 HB ILE 50 -8.377 -3.329 -0.743 360 HG12 ILE 50 HG12 ILE 50 -7.186 -5.004 -2.112 361 HG13 ILE 50 HG13 ILE 50 -6.084 -3.876 -1.371 362 HG21 ILE 50 HG21 ILE 50 -8.022 -3.330 1.754 363 HG22 ILE 50 HG22 ILE 50 -6.656 -4.387 1.514 364 HG23 ILE 50 HG23 ILE 50 -6.625 -2.763 0.799 365 HD11 ILE 50 HD11 ILE 50 -5.404 -5.557 0.263 366 HD12 ILE 50 HD12 ILE 50 -6.656 -6.673 -0.303 367 HD13 ILE 50 HD13 ILE 50 -5.307 -6.235 -1.376 368 HA PRO 51 HA PRO 51 -12.983 -4.378 1.270 369 HB2 PRO 51 HB2 PRO 51 -13.532 -5.178 3.797 370 HB3 PRO 51 HB3 PRO 51 -13.362 -6.363 2.470 371 HG2 PRO 51 HG2 PRO 51 -11.229 -5.510 4.466 372 HG3 PRO 51 HG3 PRO 51 -11.751 -7.171 4.060 373 HD2 PRO 51 HD2 PRO 51 -9.599 -6.060 2.864 374 HD3 PRO 51 HD3 PRO 51 -10.739 -7.116 1.967 375 H GLU 52 H GLU 52 -13.999 -2.638 2.516 376 HA GLU 52 HA GLU 52 -12.480 -0.394 3.026 377 HB2 GLU 52 HB2 GLU 52 -14.358 0.616 4.074 378 HB3 GLU 52 HB3 GLU 52 -14.903 -0.330 2.713 379 HG2 GLU 52 HG2 GLU 52 -15.159 -1.135 5.646 380 HG3 GLU 52 HG3 GLU 52 -16.442 -0.474 4.625 381 H GLN 53 H GLN 53 -13.367 -2.849 5.394 382 HA GLN 53 HA GLN 53 -12.670 -1.723 7.777 383 HB2 GLN 53 HB2 GLN 53 -13.723 -4.000 7.149 384 HB3 GLN 53 HB3 GLN 53 -12.078 -4.597 6.982 385 HG2 GLN 53 HG2 GLN 53 -12.655 -5.260 9.096 386 HG3 GLN 53 HG3 GLN 53 -11.800 -3.777 9.482 387 HE21 GLN 53 HE21 GLN 53 -14.489 -5.514 10.319 388 HE22 GLN 53 HE22 GLN 53 -15.596 -4.241 10.739 389 H PHE 54 H PHE 54 -10.443 -2.722 5.292 390 HA PHE 54 HA PHE 54 -8.140 -2.023 7.058 391 HB2 PHE 54 HB2 PHE 54 -8.006 -4.402 6.886 392 HB3 PHE 54 HB3 PHE 54 -8.345 -4.366 5.148 393 HD1 PHE 54 HD1 PHE 54 -6.707 -3.693 3.548 394 HD2 PHE 54 HD2 PHE 54 -5.750 -3.617 7.729 395 HE1 PHE 54 HE1 PHE 54 -4.265 -3.509 2.981 396 HE2 PHE 54 HE2 PHE 54 -3.351 -3.313 7.190 397 HZ PHE 54 HZ PHE 54 -2.593 -3.282 4.821 398 H ARG 55 H ARG 55 -9.424 -2.229 3.730 399 HA ARG 55 HA ARG 55 -7.509 -1.007 2.206 400 HB2 ARG 55 HB2 ARG 55 -9.546 -1.940 1.365 401 HB3 ARG 55 HB3 ARG 55 -10.529 -0.696 2.163 402 HG2 ARG 55 HG2 ARG 55 -9.571 1.051 0.700 403 HG3 ARG 55 HG3 ARG 55 -8.520 -0.158 -0.032 404 HD2 ARG 55 HD2 ARG 55 -10.328 0.239 -1.536 405 HD3 ARG 55 HD3 ARG 55 -10.563 -1.371 -0.873 406 HE ARG 55 HE ARG 55 -11.954 1.138 -0.023 407 HH11 ARG 55 HH11 ARG 55 -12.162 -2.432 -0.419 408 HH12 ARG 55 HH12 ARG 55 -13.880 -2.447 -0.181 409 HH21 ARG 55 HH21 ARG 55 -14.212 1.022 0.416 410 HH22 ARG 55 HH22 ARG 55 -15.020 -0.513 0.317 411 H HIS 56 H HIS 56 -9.867 0.630 4.376 412 HA HIS 56 HA HIS 56 -9.154 3.241 3.461 413 HB2 HIS 56 HB2 HIS 56 -10.489 2.181 5.996 414 HB3 HIS 56 HB3 HIS 56 -10.228 3.895 5.703 415 HD1 HIS 56 HD1 HIS 56 -12.901 4.446 5.464 416 HD2 HIS 56 HD2 HIS 56 -11.337 1.589 2.777 417 HE1 HIS 56 HE1 HIS 56 -14.542 4.244 3.531 418 H ALA 57 H ALA 57 -7.608 1.080 5.840 419 HA ALA 57 HA ALA 57 -6.003 3.153 7.025 420 HB1 ALA 57 HB1 ALA 57 -4.827 1.323 8.079 421 HB2 ALA 57 HB2 ALA 57 -6.566 0.941 8.073 422 HB3 ALA 57 HB3 ALA 57 -5.466 0.151 6.920 423 H ILE 58 H ILE 58 -5.337 0.632 4.475 424 HA ILE 58 HA ILE 58 -2.623 1.379 4.099 425 HB ILE 58 HB ILE 58 -3.132 -0.703 3.281 426 HG12 ILE 58 HG12 ILE 58 -3.180 1.096 0.809 427 HG13 ILE 58 HG13 ILE 58 -1.748 0.504 1.679 428 HG21 ILE 58 HG21 ILE 58 -5.581 -0.608 3.223 429 HG22 ILE 58 HG22 ILE 58 -5.484 0.236 1.645 430 HG23 ILE 58 HG23 ILE 58 -4.909 -1.428 1.839 431 HD11 ILE 58 HD11 ILE 58 -3.669 -0.989 -0.132 432 HD12 ILE 58 HD12 ILE 58 -1.919 -0.820 -0.267 433 HD13 ILE 58 HD13 ILE 58 -2.613 -1.856 0.990 434 H TRP 59 H TRP 59 -5.601 2.273 2.325 435 HA TRP 59 HA TRP 59 -4.256 4.005 0.538 436 HB2 TRP 59 HB2 TRP 59 -6.633 2.935 0.416 437 HB3 TRP 59 HB3 TRP 59 -7.172 4.391 1.239 438 HD1 TRP 59 HD1 TRP 59 -5.214 3.299 -1.901 439 HE1 TRP 59 HE1 TRP 59 -5.494 4.982 -3.788 440 HE3 TRP 59 HE3 TRP 59 -7.867 6.740 0.641 441 HZ2 TRP 59 HZ2 TRP 59 -6.737 7.620 -4.125 442 HZ3 TRP 59 HZ3 TRP 59 -8.583 8.893 -0.456 443 HH2 TRP 59 HH2 TRP 59 -8.010 9.322 -2.833 444 H LYS 60 H LYS 60 -6.216 4.894 3.502 445 HA LYS 60 HA LYS 60 -5.583 7.640 3.358 446 HB2 LYS 60 HB2 LYS 60 -7.318 6.534 4.809 447 HB3 LYS 60 HB3 LYS 60 -5.998 5.939 5.843 448 HG2 LYS 60 HG2 LYS 60 -6.984 7.773 6.929 449 HG3 LYS 60 HG3 LYS 60 -5.426 8.351 6.336 450 HD2 LYS 60 HD2 LYS 60 -6.452 9.572 4.555 451 HD3 LYS 60 HD3 LYS 60 -8.035 8.791 4.837 452 HE2 LYS 60 HE2 LYS 60 -8.161 9.807 7.085 453 HE3 LYS 60 HE3 LYS 60 -6.571 10.555 6.845 454 HZ1 LYS 60 HZ1 LYS 60 -8.340 12.112 6.334 455 HZ2 LYS 60 HZ2 LYS 60 -8.953 11.088 5.172 456 HZ3 LYS 60 HZ3 LYS 60 -7.443 11.772 5.027 457 H GLY 61 H GLY 61 -3.727 4.966 4.926 458 HA2 GLY 61 HA2 GLY 61 -1.832 6.585 6.221 459 HA3 GLY 61 HA3 GLY 61 -1.524 4.940 5.666 460 H ILE 62 H ILE 62 -1.612 5.163 2.915 461 HA ILE 62 HA ILE 62 0.955 6.407 2.456 462 HB ILE 62 HB ILE 62 -0.167 4.332 1.475 463 HG12 ILE 62 HG12 ILE 62 2.107 4.848 1.065 464 HG13 ILE 62 HG13 ILE 62 1.383 4.307 -0.430 465 HG21 ILE 62 HG21 ILE 62 -2.071 5.171 0.311 466 HG22 ILE 62 HG22 ILE 62 -1.049 6.235 -0.691 467 HG23 ILE 62 HG23 ILE 62 -0.921 4.477 -0.826 468 HD11 ILE 62 HD11 ILE 62 2.837 6.120 -0.978 469 HD12 ILE 62 HD12 ILE 62 1.193 6.762 -1.127 470 HD13 ILE 62 HD13 ILE 62 2.188 7.145 0.299 471 H LEU 63 H LEU 63 -2.436 7.268 1.623 472 HA LEU 63 HA LEU 63 -1.770 9.592 0.086 473 HB2 LEU 63 HB2 LEU 63 -4.214 8.651 1.583 474 HB3 LEU 63 HB3 LEU 63 -4.128 10.326 1.152 475 HG LEU 63 HG LEU 63 -5.367 8.919 -0.470 476 HD11 LEU 63 HD11 LEU 63 -2.956 10.324 -1.667 477 HD12 LEU 63 HD12 LEU 63 -4.411 11.139 -1.051 478 HD13 LEU 63 HD13 LEU 63 -4.525 10.028 -2.445 479 HD21 LEU 63 HD21 LEU 63 -3.964 6.901 -0.618 480 HD22 LEU 63 HD22 LEU 63 -2.640 7.862 -1.325 481 HD23 LEU 63 HD23 LEU 63 -4.157 7.654 -2.202 482 H ASP 64 H ASP 64 -1.981 8.981 3.518 483 HA ASP 64 HA ASP 64 -1.837 11.753 4.414 484 HB2 ASP 64 HB2 ASP 64 -1.144 9.135 5.838 485 HB3 ASP 64 HB3 ASP 64 -0.956 10.699 6.582 486 H HIS 65 H HIS 65 0.478 9.232 3.675 487 HA HIS 65 HA HIS 65 2.856 10.493 4.745 488 HB2 HIS 65 HB2 HIS 65 2.888 8.067 4.398 489 HB3 HIS 65 HB3 HIS 65 2.427 8.255 2.729 490 HD1 HIS 65 HD1 HIS 65 5.494 10.076 4.443 491 HD2 HIS 65 HD2 HIS 65 4.386 7.395 1.362 492 HE1 HIS 65 HE1 HIS 65 7.543 9.645 3.132 493 H ARG 66 H ARG 66 1.669 10.000 1.431 494 HA ARG 66 HA ARG 66 3.628 11.708 0.247 495 HB2 ARG 66 HB2 ARG 66 2.327 11.548 -1.818 496 HB3 ARG 66 HB3 ARG 66 2.472 9.982 -1.020 497 HG2 ARG 66 HG2 ARG 66 0.242 9.808 -1.382 498 HG3 ARG 66 HG3 ARG 66 0.121 10.782 0.055 499 HD2 ARG 66 HD2 ARG 66 -1.262 11.952 -1.354 500 HD3 ARG 66 HD3 ARG 66 0.255 12.829 -1.556 501 HE ARG 66 HE ARG 66 -0.321 10.528 -3.346 502 HH11 ARG 66 HH11 ARG 66 -0.022 14.077 -3.164 503 HH12 ARG 66 HH12 ARG 66 -0.085 14.265 -4.897 504 HH21 ARG 66 HH21 ARG 66 -0.108 10.789 -5.493 505 HH22 ARG 66 HH22 ARG 66 -0.134 12.333 -6.271 506 H GLN 67 H GLN 67 0.438 12.461 1.739 507 HA GLN 67 HA GLN 67 0.362 15.110 0.612 508 HB2 GLN 67 HB2 GLN 67 -1.597 13.883 1.424 509 HB3 GLN 67 HB3 GLN 67 -0.935 13.862 3.076 510 HG2 GLN 67 HG2 GLN 67 -2.536 15.552 3.044 511 HG3 GLN 67 HG3 GLN 67 -1.014 16.389 2.998 512 HE21 GLN 67 HE21 GLN 67 -3.395 14.950 0.737 513 HE22 GLN 67 HE22 GLN 67 -3.455 16.280 -0.415 514 H LEU 68 H LEU 68 1.707 13.692 3.656 515 HA LEU 68 HA LEU 68 2.569 16.371 4.546 516 HB2 LEU 68 HB2 LEU 68 2.577 13.614 5.806 517 HB3 LEU 68 HB3 LEU 68 3.186 15.071 6.618 518 HG LEU 68 HG LEU 68 0.303 14.629 5.687 519 HD11 LEU 68 HD11 LEU 68 -0.228 14.571 8.059 520 HD12 LEU 68 HD12 LEU 68 1.486 14.815 8.484 521 HD13 LEU 68 HD13 LEU 68 0.966 13.324 7.667 522 HD21 LEU 68 HD21 LEU 68 0.784 17.019 5.521 523 HD22 LEU 68 HD22 LEU 68 1.514 17.017 7.141 524 HD23 LEU 68 HD23 LEU 68 -0.228 16.713 6.920 525 H HIS 69 H HIS 69 4.010 14.073 2.534 526 HA HIS 69 HA HIS 69 6.553 15.388 2.839 527 HB2 HIS 69 HB2 HIS 69 6.521 13.515 4.608 528 HB3 HIS 69 HB3 HIS 69 6.490 12.378 3.266 529 HD1 HIS 69 HD1 HIS 69 8.774 12.567 1.561 530 HD2 HIS 69 HD2 HIS 69 8.778 14.754 5.183 531 HE1 HIS 69 HE1 HIS 69 11.187 13.129 2.054 532 H ASP 70 H ASP 70 7.078 15.761 0.772 533 HA ASP 70 HA ASP 70 6.666 13.686 -1.313 534 HB2 ASP 70 HB2 ASP 70 4.861 15.226 -1.698 535 HB3 ASP 70 HB3 ASP 70 5.912 16.631 -1.454
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